----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:54:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) Number of symmetry operations in supercell: 36 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.835839730082243 2.791973369920864 3.020918829999996 b -4.835839730082233 2.791973369920864 3.020918829999996 c 0.000000000000000 -5.583946739841728 3.020918829999996 Atomic positions (fractional): *1 O 0.17780579992639 0.58534839172079 0.42423961673593 15.999 2 O 0.58534839172079 0.42423961673593 0.17780579992639 15.999 3 O 0.42423961673593 0.17780579992639 0.58534839172079 15.999 4 O 0.82219420007361 0.41465160827921 0.57576038326407 15.999 5 O 0.41465160827921 0.57576038326407 0.82219420007361 15.999 6 O 0.57576038326407 0.82219420007362 0.41465160827921 15.999 *7 O 0.91601069267366 0.68515906238699 0.05015116416832 15.999 8 O 0.94984883583168 0.08398930732634 0.31484093761301 15.999 9 O 0.31484093761301 0.94984883583168 0.08398930732634 15.999 10 O 0.08398930732634 0.31484093761301 0.94984883583168 15.999 11 O 0.05015116416832 0.91601069267366 0.68515906238699 15.999 12 O 0.68515906238699 0.05015116416832 0.91601069267366 15.999 *13 Lu 0.38986225300223 0.85446681380913 0.67413852907076 174.967 14 Lu 0.85446681380912 0.67413852907077 0.38986225300223 174.967 15 Lu 0.67413852907077 0.38986225300223 0.85446681380912 174.967 16 Lu 0.61013774699777 0.14553318619088 0.32586147092923 174.967 17 Lu 0.14553318619088 0.32586147092924 0.61013774699777 174.967 18 Lu 0.32586147092923 0.61013774699777 0.14553318619088 174.967 *19 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.671679460164476 0.000000000000000 0.000000000000000 b -4.835839730082238 8.375920109762601 0.000000000000000 c 0.000000000000000 0.000000000000000 9.062756489999998 Atomic positions (fractional): *1 O 0.78200786379868 0.97155831939177 0.39579793612770 15.999 > 1 2 O 0.18955045559309 0.21799213620132 0.39579793612770 15.999 > 2 3 O 0.02844168060823 0.81044954440691 0.39579793612770 15.999 > 3 4 O 0.21799213620132 0.02844168060823 0.60420206387230 15.999 > 4 5 O 0.81044954440691 0.78200786379868 0.60420206387230 15.999 > 5 6 O 0.97155831939177 0.18955045559309 0.60420206387230 15.999 > 6 *7 O 0.36557038626400 0.50028914224134 0.55044030640965 15.999 > 7 8 O 0.50028914224134 0.13471875597733 0.44955969359035 15.999 > 8 9 O 0.86528124402267 0.36557038626400 0.44955969359035 15.999 > 9 10 O 0.63442961373600 0.49971085775866 0.44955969359035 15.999 > 10 11 O 0.49971085775866 0.86528124402267 0.55044030640965 15.999 > 11 12 O 0.13471875597733 0.63442961373600 0.55044030640965 15.999 > 12 13 O 0.44867453046535 0.30489165272510 0.72913126946104 15.999 > 1 14 O 0.85621712225975 0.55132546953465 0.72913126946104 15.999 > 2 15 O 0.69510834727490 0.14378287774025 0.72913126946104 15.999 > 3 16 O 0.88465880286798 0.36177501394156 0.93753539720563 15.999 > 4 17 O 0.47711621107358 0.11534119713202 0.93753539720563 15.999 > 5 18 O 0.63822498605844 0.52288378892642 0.93753539720563 15.999 > 6 19 O 0.03223705293067 0.83362247557467 0.88377363974299 15.999 > 7 20 O 0.16695580890800 0.46805208931067 0.78289302692368 15.999 > 8 21 O 0.53194791068933 0.69890371959733 0.78289302692368 15.999 > 9 22 O 0.30109628040266 0.83304419109200 0.78289302692368 15.999 > 10 23 O 0.16637752442533 0.19861457735600 0.88377363974299 15.999 > 11 24 O 0.80138542264400 0.96776294706933 0.88377363974299 15.999 > 12 25 O 0.11534119713202 0.63822498605844 0.06246460279437 15.999 > 1 26 O 0.52288378892642 0.88465880286798 0.06246460279437 15.999 > 2 27 O 0.36177501394156 0.47711621107358 0.06246460279437 15.999 > 3 28 O 0.55132546953465 0.69510834727490 0.27086873053896 15.999 > 4 29 O 0.14378287774025 0.44867453046535 0.27086873053896 15.999 > 5 30 O 0.30489165272510 0.85621712225975 0.27086873053896 15.999 > 6 31 O 0.69890371959733 0.16695580890800 0.21710697307632 15.999 > 7 32 O 0.83362247557467 0.80138542264400 0.11622636025701 15.999 > 8 33 O 0.19861457735600 0.03223705293067 0.11622636025701 15.999 > 9 34 O 0.96776294706933 0.16637752442533 0.11622636025701 15.999 > 10 35 O 0.83304419109200 0.53194791068933 0.21710697307632 15.999 > 11 36 O 0.46805208931067 0.30109628040266 0.21710697307632 15.999 > 12 *37 Lu 0.75037305437486 0.96535066955661 0.63948919862737 174.967 > 13 38 Lu 0.21497761518175 0.24962694562514 0.63948919862737 174.967 > 14 39 Lu 0.03464933044339 0.78502238481825 0.63948919862737 174.967 > 15 40 Lu 0.24962694562514 0.03464933044339 0.36051080137263 174.967 > 16 41 Lu 0.78502238481825 0.75037305437486 0.36051080137263 174.967 > 17 42 Lu 0.96535066955661 0.21497761518175 0.36051080137263 174.967 > 18 43 Lu 0.41703972104152 0.29868400288994 0.97282253196071 174.967 > 13 44 Lu 0.88164428184842 0.58296027895848 0.97282253196071 174.967 > 14 45 Lu 0.70131599711006 0.11835571815158 0.97282253196071 174.967 > 15 46 Lu 0.91629361229181 0.36798266377673 0.69384413470596 174.967 > 16 47 Lu 0.45168905148492 0.08370638770819 0.69384413470596 174.967 > 17 48 Lu 0.63201733622327 0.54831094851508 0.69384413470596 174.967 > 18 49 Lu 0.08370638770819 0.63201733622327 0.30615586529404 174.967 > 13 50 Lu 0.54831094851508 0.91629361229181 0.30615586529404 174.967 > 14 51 Lu 0.36798266377673 0.45168905148492 0.30615586529404 174.967 > 15 52 Lu 0.58296027895848 0.70131599711006 0.02717746803929 174.967 > 16 53 Lu 0.11835571815158 0.41703972104152 0.02717746803929 174.967 > 17 54 Lu 0.29868400288994 0.88164428184842 0.02717746803929 174.967 > 18 *55 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 19 56 U 0.66666666666667 0.33333333333333 0.33333333333333 238.029 > 19 57 U 0.33333333333333 0.66666666666667 0.66666666666667 238.029 > 19 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.671679460164476 0.000000000000000 0.000000000000000 b -4.835839730082238 8.375920109762601 0.000000000000000 c 0.000000000000000 0.000000000000000 18.125512979999996 Atomic positions (fractional): *1 O 0.78200786379868 0.97155831939177 0.19789896806385 15.999 > 1 2 O 0.78200786379868 0.97155831939177 0.69789896806385 15.999 > 1 3 O 0.18955045559309 0.21799213620132 0.19789896806385 15.999 > 2 4 O 0.18955045559309 0.21799213620132 0.69789896806385 15.999 > 2 5 O 0.02844168060823 0.81044954440691 0.19789896806385 15.999 > 3 6 O 0.02844168060823 0.81044954440691 0.69789896806385 15.999 > 3 7 O 0.21799213620132 0.02844168060823 0.30210103193615 15.999 > 4 8 O 0.21799213620132 0.02844168060823 0.80210103193615 15.999 > 4 9 O 0.81044954440691 0.78200786379868 0.30210103193615 15.999 > 5 10 O 0.81044954440691 0.78200786379868 0.80210103193615 15.999 > 5 11 O 0.97155831939177 0.18955045559309 0.30210103193615 15.999 > 6 12 O 0.97155831939177 0.18955045559309 0.80210103193615 15.999 > 6 *13 O 0.36557038626400 0.50028914224134 0.27522015320483 15.999 > 7 14 O 0.36557038626400 0.50028914224134 0.77522015320483 15.999 > 7 15 O 0.50028914224134 0.13471875597733 0.22477984679517 15.999 > 8 16 O 0.50028914224134 0.13471875597733 0.72477984679517 15.999 > 8 17 O 0.86528124402267 0.36557038626400 0.22477984679517 15.999 > 9 18 O 0.86528124402267 0.36557038626400 0.72477984679517 15.999 > 9 19 O 0.63442961373600 0.49971085775866 0.22477984679517 15.999 > 10 20 O 0.63442961373600 0.49971085775866 0.72477984679517 15.999 > 10 21 O 0.49971085775866 0.86528124402267 0.27522015320483 15.999 > 11 22 O 0.49971085775866 0.86528124402267 0.77522015320483 15.999 > 11 23 O 0.13471875597733 0.63442961373600 0.27522015320483 15.999 > 12 24 O 0.13471875597733 0.63442961373600 0.77522015320483 15.999 > 12 25 O 0.44867453046535 0.30489165272510 0.36456563473052 15.999 > 1 26 O 0.44867453046535 0.30489165272510 0.86456563473052 15.999 > 1 27 O 0.85621712225975 0.55132546953465 0.36456563473052 15.999 > 2 28 O 0.85621712225975 0.55132546953465 0.86456563473052 15.999 > 2 29 O 0.69510834727490 0.14378287774025 0.36456563473052 15.999 > 3 30 O 0.69510834727490 0.14378287774025 0.86456563473052 15.999 > 3 31 O 0.88465880286798 0.36177501394156 0.46876769860282 15.999 > 4 32 O 0.88465880286798 0.36177501394156 0.96876769860282 15.999 > 4 33 O 0.47711621107358 0.11534119713202 0.46876769860282 15.999 > 5 34 O 0.47711621107358 0.11534119713202 0.96876769860282 15.999 > 5 35 O 0.63822498605844 0.52288378892642 0.46876769860282 15.999 > 6 36 O 0.63822498605844 0.52288378892642 0.96876769860282 15.999 > 6 37 O 0.03223705293067 0.83362247557467 0.44188681987149 15.999 > 7 38 O 0.03223705293067 0.83362247557467 0.94188681987149 15.999 > 7 39 O 0.16695580890800 0.46805208931067 0.39144651346184 15.999 > 8 40 O 0.16695580890800 0.46805208931067 0.89144651346184 15.999 > 8 41 O 0.53194791068933 0.69890371959733 0.39144651346184 15.999 > 9 42 O 0.53194791068933 0.69890371959733 0.89144651346184 15.999 > 9 43 O 0.30109628040266 0.83304419109200 0.39144651346184 15.999 > 10 44 O 0.30109628040266 0.83304419109200 0.89144651346184 15.999 > 10 45 O 0.16637752442533 0.19861457735600 0.44188681987149 15.999 > 11 46 O 0.16637752442533 0.19861457735600 0.94188681987149 15.999 > 11 47 O 0.80138542264400 0.96776294706933 0.44188681987149 15.999 > 12 48 O 0.80138542264400 0.96776294706933 0.94188681987149 15.999 > 12 49 O 0.11534119713202 0.63822498605844 0.03123230139718 15.999 > 1 50 O 0.11534119713202 0.63822498605844 0.53123230139718 15.999 > 1 51 O 0.52288378892642 0.88465880286798 0.03123230139718 15.999 > 2 52 O 0.52288378892642 0.88465880286798 0.53123230139718 15.999 > 2 53 O 0.36177501394156 0.47711621107358 0.03123230139718 15.999 > 3 54 O 0.36177501394156 0.47711621107358 0.53123230139718 15.999 > 3 55 O 0.55132546953465 0.69510834727490 0.13543436526948 15.999 > 4 56 O 0.55132546953465 0.69510834727490 0.63543436526948 15.999 > 4 57 O 0.14378287774025 0.44867453046535 0.13543436526948 15.999 > 5 58 O 0.14378287774025 0.44867453046535 0.63543436526948 15.999 > 5 59 O 0.30489165272510 0.85621712225975 0.13543436526948 15.999 > 6 60 O 0.30489165272510 0.85621712225975 0.63543436526948 15.999 > 6 61 O 0.69890371959733 0.16695580890800 0.10855348653816 15.999 > 7 62 O 0.69890371959733 0.16695580890800 0.60855348653816 15.999 > 7 63 O 0.83362247557467 0.80138542264400 0.05811318012851 15.999 > 8 64 O 0.83362247557467 0.80138542264400 0.55811318012851 15.999 > 8 65 O 0.19861457735600 0.03223705293067 0.05811318012851 15.999 > 9 66 O 0.19861457735600 0.03223705293067 0.55811318012851 15.999 > 9 67 O 0.96776294706933 0.16637752442533 0.05811318012851 15.999 > 10 68 O 0.96776294706933 0.16637752442533 0.55811318012851 15.999 > 10 69 O 0.83304419109200 0.53194791068933 0.10855348653816 15.999 > 11 70 O 0.83304419109200 0.53194791068933 0.60855348653816 15.999 > 11 71 O 0.46805208931067 0.30109628040266 0.10855348653816 15.999 > 12 72 O 0.46805208931067 0.30109628040266 0.60855348653816 15.999 > 12 *73 Lu 0.75037305437486 0.96535066955661 0.31974459931369 174.967 > 13 74 Lu 0.75037305437486 0.96535066955661 0.81974459931369 174.967 > 13 75 Lu 0.21497761518175 0.24962694562514 0.31974459931369 174.967 > 14 76 Lu 0.21497761518175 0.24962694562514 0.81974459931369 174.967 > 14 77 Lu 0.03464933044339 0.78502238481825 0.31974459931369 174.967 > 15 78 Lu 0.03464933044339 0.78502238481825 0.81974459931369 174.967 > 15 79 Lu 0.24962694562514 0.03464933044339 0.18025540068631 174.967 > 16 80 Lu 0.24962694562514 0.03464933044339 0.68025540068631 174.967 > 16 81 Lu 0.78502238481825 0.75037305437486 0.18025540068631 174.967 > 17 82 Lu 0.78502238481825 0.75037305437486 0.68025540068631 174.967 > 17 83 Lu 0.96535066955661 0.21497761518175 0.18025540068631 174.967 > 18 84 Lu 0.96535066955661 0.21497761518175 0.68025540068631 174.967 > 18 85 Lu 0.41703972104152 0.29868400288994 0.48641126598035 174.967 > 13 86 Lu 0.41703972104152 0.29868400288994 0.98641126598035 174.967 > 13 87 Lu 0.88164428184842 0.58296027895848 0.48641126598035 174.967 > 14 88 Lu 0.88164428184842 0.58296027895848 0.98641126598035 174.967 > 14 89 Lu 0.70131599711006 0.11835571815158 0.48641126598035 174.967 > 15 90 Lu 0.70131599711006 0.11835571815158 0.98641126598035 174.967 > 15 91 Lu 0.91629361229181 0.36798266377673 0.34692206735298 174.967 > 16 92 Lu 0.91629361229181 0.36798266377673 0.84692206735298 174.967 > 16 93 Lu 0.45168905148492 0.08370638770819 0.34692206735298 174.967 > 17 94 Lu 0.45168905148492 0.08370638770819 0.84692206735298 174.967 > 17 95 Lu 0.63201733622327 0.54831094851508 0.34692206735298 174.967 > 18 96 Lu 0.63201733622327 0.54831094851508 0.84692206735298 174.967 > 18 97 Lu 0.08370638770819 0.63201733622327 0.15307793264702 174.967 > 13 98 Lu 0.08370638770819 0.63201733622327 0.65307793264702 174.967 > 13 99 Lu 0.54831094851508 0.91629361229181 0.15307793264702 174.967 > 14 100 Lu 0.54831094851508 0.91629361229181 0.65307793264702 174.967 > 14 101 Lu 0.36798266377673 0.45168905148492 0.15307793264702 174.967 > 15 102 Lu 0.36798266377673 0.45168905148492 0.65307793264702 174.967 > 15 103 Lu 0.58296027895848 0.70131599711006 0.01358873401965 174.967 > 16 104 Lu 0.58296027895848 0.70131599711006 0.51358873401965 174.967 > 16 105 Lu 0.11835571815158 0.41703972104152 0.01358873401965 174.967 > 17 106 Lu 0.11835571815158 0.41703972104152 0.51358873401965 174.967 > 17 107 Lu 0.29868400288994 0.88164428184842 0.01358873401965 174.967 > 18 108 Lu 0.29868400288994 0.88164428184842 0.51358873401965 174.967 > 18 *109 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 19 110 U 0.00000000000000 0.00000000000000 0.50000000000000 238.029 > 19 111 U 0.66666666666667 0.33333333333333 0.16666666666667 238.029 > 19 112 U 0.66666666666667 0.33333333333333 0.66666666666667 238.029 > 19 113 U 0.33333333333333 0.66666666666667 0.33333333333333 238.029 > 19 114 U 0.33333333333333 0.66666666666667 0.83333333333333 238.029 > 19 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5720888 -0.0000003 0.0000000 0.0000003 4.5720888 0.0000000 0.0000000 0.0000000 4.3153553 -------------------------- Born effective charges -------------------------- 1 O -2.3066512 0.0354953 -0.1905556 -0.0504773 -2.8699390 0.0105554 0.0335639 0.0284706 -2.2727062 2 O -2.7226296 0.2906426 0.1044191 0.2046699 -2.4539606 0.1597483 0.0078743 -0.0433025 -2.2727062 3 O -2.7356044 -0.1971789 0.0861365 -0.2831515 -2.4409858 -0.1703037 -0.0414382 0.0148319 -2.2727062 4 O -2.3066512 0.0354953 -0.1905556 -0.0504773 -2.8699390 0.0105554 0.0335639 0.0284706 -2.2727062 5 O -2.7226296 0.2906426 0.1044191 0.2046699 -2.4539606 0.1597483 0.0078743 -0.0433025 -2.2727062 6 O -2.7356044 -0.1971789 0.0861365 -0.2831515 -2.4409858 -0.1703037 -0.0414382 0.0148319 -2.2727062 7 O -1.8358047 0.7567752 0.6323053 0.7826977 -2.6498194 -0.7315196 0.6017561 -0.7567471 -2.2906200 8 O -1.7797044 -0.7503082 0.3173619 -0.7243857 -2.7059197 0.9133523 0.3544842 0.8995097 -2.2906200 9 O -3.1129270 -0.0453507 -0.9496672 -0.0194283 -1.3726970 -0.1818327 -0.9562403 -0.1427625 -2.2906200 10 O -1.8358047 0.7567752 0.6323053 0.7826977 -2.6498194 -0.7315196 0.6017561 -0.7567471 -2.2906200 11 O -1.7797044 -0.7503082 0.3173619 -0.7243857 -2.7059197 0.9133523 0.3544842 0.8995097 -2.2906200 12 O -3.1129270 -0.0453507 -0.9496672 -0.0194283 -1.3726970 -0.1818327 -0.9562403 -0.1427625 -2.2906200 13 Lu 3.5406045 0.0383040 0.0973523 0.1653961 4.0446785 0.4201541 -0.4144568 0.2572939 3.7822222 14 Lu 3.8304553 -0.3327415 0.3151880 -0.2056494 3.7548277 -0.2943866 0.4300515 0.2302831 3.7822222 15 Lu 4.0068647 0.1037994 -0.4125402 0.2308915 3.5784183 -0.1257675 -0.0155947 -0.4875771 3.7822222 16 Lu 3.5406045 0.0383040 0.0973523 0.1653961 4.0446785 0.4201541 -0.4144568 0.2572939 3.7822222 17 Lu 3.8304553 -0.3327415 0.3151880 -0.2056494 3.7548277 -0.2943866 0.4300515 0.2302831 3.7822222 18 Lu 4.0068647 0.1037994 -0.4125402 0.2308915 3.5784183 -0.1257675 -0.0155947 -0.4875771 3.7822222 19 U 6.2307936 0.2011258 0.0000000 -0.2011258 6.2307936 0.0000000 0.0000000 -0.0000000 4.6866239 ---------------------------------------------------------------------------- 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: 342/342 Permutation basis: 13062/13062 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1664 Number of blocks in projector: 758 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 748 Use submatrix version of eigh solver. (1) Block: 500 / 748 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 748 / 748 (1) 239 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 720 Use submatrix version of eigh solver. (1) Block: 500 / 720 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 720 / 720 (1) 208 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1664, 1635), data: False |-- (196, 192), data: True |-- (720, 708), data: False |-- (720, 12), data: (720, 24) @ (24, 12) |-- (220, 208), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (748, 735), data: False |-- (748, 9), data: (748, 22) @ (22, 9) |-- (248, 239), data: True |-- (500, 487), data: False |-- (500, 10), data: (500, 23) @ (23, 10) |-- (250, 237), data: True |-- (250, 240), data: True ----- Solver_atoms: 1 -- 114 / 114 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 400 - Time: 2.616 Solver_block: 200 / 400 - Time: 2.531 Solver_block: 300 / 400 - Time: 2.516 Solver_block: 400 / 400 - Time: 2.521 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 10.230 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xy) 0.00000000 (xy) Permutation basis: 342/342 Permutation basis: 13062/13062 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1664 Number of blocks in projector: 758 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 748 Use submatrix version of eigh solver. (1) Block: 500 / 748 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 748 / 748 (1) 239 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 720 Use submatrix version of eigh solver. (1) Block: 500 / 720 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 720 / 720 (1) 208 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1664, 1635), data: False |-- (196, 192), data: True |-- (720, 708), data: False |-- (720, 12), data: (720, 24) @ (24, 12) |-- (220, 208), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (748, 735), data: False |-- (748, 9), data: (748, 22) @ (22, 9) |-- (248, 239), data: True |-- (500, 487), data: False |-- (500, 10), data: (500, 23) @ (23, 10) |-- (250, 237), data: True |-- (250, 240), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yx) -0.00000000 (yx) 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 04:54:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:54:32]------------------------- 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): [1 1 2] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.835839730082243 2.791973369920864 3.020918829999996 b -4.835839730082233 2.791973369920864 3.020918829999996 c 0.000000000000000 -5.583946739841728 3.020918829999996 Atomic positions (fractional): 1 O 0.17780579992639 0.58534839172079 0.42423961673593 15.999 2 O 0.58534839172079 0.42423961673593 0.17780579992639 15.999 3 O 0.42423961673593 0.17780579992639 0.58534839172079 15.999 4 O 0.82219420007361 0.41465160827921 0.57576038326407 15.999 5 O 0.41465160827921 0.57576038326407 0.82219420007361 15.999 6 O 0.57576038326407 0.82219420007362 0.41465160827921 15.999 7 O 0.91601069267366 0.68515906238699 0.05015116416832 15.999 8 O 0.94984883583168 0.08398930732634 0.31484093761301 15.999 9 O 0.31484093761301 0.94984883583168 0.08398930732634 15.999 10 O 0.08398930732634 0.31484093761301 0.94984883583168 15.999 11 O 0.05015116416832 0.91601069267366 0.68515906238699 15.999 12 O 0.68515906238699 0.05015116416832 0.91601069267366 15.999 13 Lu 0.38986225300223 0.85446681380913 0.67413852907076 174.967 14 Lu 0.85446681380912 0.67413852907077 0.38986225300223 174.967 15 Lu 0.67413852907077 0.38986225300223 0.85446681380912 174.967 16 Lu 0.61013774699777 0.14553318619088 0.32586147092923 174.967 17 Lu 0.14553318619088 0.32586147092924 0.61013774699777 174.967 18 Lu 0.32586147092923 0.61013774699777 0.14553318619088 174.967 19 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.671679460164476 0.000000000000000 0.000000000000000 b -4.835839730082238 8.375920109762601 0.000000000000000 c 0.000000000000000 0.000000000000000 18.125512979999996 Atomic positions (fractional): 1 O 0.78200786379868 0.97155831939177 0.19789896806385 15.999 > 1 2 O 0.78200786379868 0.97155831939177 0.69789896806385 15.999 > 1 3 O 0.18955045559309 0.21799213620132 0.19789896806385 15.999 > 3 4 O 0.18955045559309 0.21799213620132 0.69789896806385 15.999 > 3 5 O 0.02844168060823 0.81044954440691 0.19789896806385 15.999 > 5 6 O 0.02844168060823 0.81044954440691 0.69789896806385 15.999 > 5 7 O 0.21799213620132 0.02844168060823 0.30210103193615 15.999 > 7 8 O 0.21799213620132 0.02844168060823 0.80210103193615 15.999 > 7 9 O 0.81044954440691 0.78200786379868 0.30210103193615 15.999 > 9 10 O 0.81044954440691 0.78200786379868 0.80210103193615 15.999 > 9 11 O 0.97155831939177 0.18955045559309 0.30210103193615 15.999 > 11 12 O 0.97155831939177 0.18955045559309 0.80210103193615 15.999 > 11 13 O 0.36557038626400 0.50028914224134 0.27522015320483 15.999 > 13 14 O 0.36557038626400 0.50028914224134 0.77522015320483 15.999 > 13 15 O 0.50028914224134 0.13471875597733 0.22477984679517 15.999 > 15 16 O 0.50028914224134 0.13471875597733 0.72477984679517 15.999 > 15 17 O 0.86528124402267 0.36557038626400 0.22477984679517 15.999 > 17 18 O 0.86528124402267 0.36557038626400 0.72477984679517 15.999 > 17 19 O 0.63442961373600 0.49971085775866 0.22477984679517 15.999 > 19 20 O 0.63442961373600 0.49971085775866 0.72477984679517 15.999 > 19 21 O 0.49971085775866 0.86528124402267 0.27522015320483 15.999 > 21 22 O 0.49971085775866 0.86528124402267 0.77522015320483 15.999 > 21 23 O 0.13471875597733 0.63442961373600 0.27522015320483 15.999 > 23 24 O 0.13471875597733 0.63442961373600 0.77522015320483 15.999 > 23 25 O 0.44867453046535 0.30489165272510 0.36456563473052 15.999 > 1 26 O 0.44867453046535 0.30489165272510 0.86456563473052 15.999 > 1 27 O 0.85621712225975 0.55132546953465 0.36456563473052 15.999 > 3 28 O 0.85621712225975 0.55132546953465 0.86456563473052 15.999 > 3 29 O 0.69510834727490 0.14378287774025 0.36456563473052 15.999 > 5 30 O 0.69510834727490 0.14378287774025 0.86456563473052 15.999 > 5 31 O 0.88465880286798 0.36177501394156 0.46876769860282 15.999 > 7 32 O 0.88465880286798 0.36177501394156 0.96876769860282 15.999 > 7 33 O 0.47711621107358 0.11534119713202 0.46876769860282 15.999 > 9 34 O 0.47711621107358 0.11534119713202 0.96876769860282 15.999 > 9 35 O 0.63822498605844 0.52288378892642 0.46876769860282 15.999 > 11 36 O 0.63822498605844 0.52288378892642 0.96876769860282 15.999 > 11 37 O 0.03223705293067 0.83362247557467 0.44188681987149 15.999 > 13 38 O 0.03223705293067 0.83362247557467 0.94188681987149 15.999 > 13 39 O 0.16695580890800 0.46805208931067 0.39144651346184 15.999 > 15 40 O 0.16695580890800 0.46805208931067 0.89144651346184 15.999 > 15 41 O 0.53194791068933 0.69890371959733 0.39144651346184 15.999 > 17 42 O 0.53194791068933 0.69890371959733 0.89144651346184 15.999 > 17 43 O 0.30109628040266 0.83304419109200 0.39144651346184 15.999 > 19 44 O 0.30109628040266 0.83304419109200 0.89144651346184 15.999 > 19 45 O 0.16637752442533 0.19861457735600 0.44188681987149 15.999 > 21 46 O 0.16637752442533 0.19861457735600 0.94188681987149 15.999 > 21 47 O 0.80138542264400 0.96776294706933 0.44188681987149 15.999 > 23 48 O 0.80138542264400 0.96776294706933 0.94188681987149 15.999 > 23 49 O 0.11534119713202 0.63822498605844 0.03123230139718 15.999 > 1 50 O 0.11534119713202 0.63822498605844 0.53123230139718 15.999 > 1 51 O 0.52288378892642 0.88465880286798 0.03123230139718 15.999 > 3 52 O 0.52288378892642 0.88465880286798 0.53123230139718 15.999 > 3 53 O 0.36177501394156 0.47711621107358 0.03123230139718 15.999 > 5 54 O 0.36177501394156 0.47711621107358 0.53123230139718 15.999 > 5 55 O 0.55132546953465 0.69510834727490 0.13543436526948 15.999 > 7 56 O 0.55132546953465 0.69510834727490 0.63543436526948 15.999 > 7 57 O 0.14378287774025 0.44867453046535 0.13543436526948 15.999 > 9 58 O 0.14378287774025 0.44867453046535 0.63543436526948 15.999 > 9 59 O 0.30489165272510 0.85621712225975 0.13543436526948 15.999 > 11 60 O 0.30489165272510 0.85621712225975 0.63543436526948 15.999 > 11 61 O 0.69890371959733 0.16695580890800 0.10855348653816 15.999 > 13 62 O 0.69890371959733 0.16695580890800 0.60855348653816 15.999 > 13 63 O 0.83362247557467 0.80138542264400 0.05811318012851 15.999 > 15 64 O 0.83362247557467 0.80138542264400 0.55811318012851 15.999 > 15 65 O 0.19861457735600 0.03223705293067 0.05811318012851 15.999 > 17 66 O 0.19861457735600 0.03223705293067 0.55811318012851 15.999 > 17 67 O 0.96776294706933 0.16637752442533 0.05811318012851 15.999 > 19 68 O 0.96776294706933 0.16637752442533 0.55811318012851 15.999 > 19 69 O 0.83304419109200 0.53194791068933 0.10855348653816 15.999 > 21 70 O 0.83304419109200 0.53194791068933 0.60855348653816 15.999 > 21 71 O 0.46805208931067 0.30109628040266 0.10855348653816 15.999 > 23 72 O 0.46805208931067 0.30109628040266 0.60855348653816 15.999 > 23 73 Lu 0.75037305437486 0.96535066955661 0.31974459931369 174.967 > 73 74 Lu 0.75037305437486 0.96535066955661 0.81974459931369 174.967 > 73 75 Lu 0.21497761518175 0.24962694562514 0.31974459931369 174.967 > 75 76 Lu 0.21497761518175 0.24962694562514 0.81974459931369 174.967 > 75 77 Lu 0.03464933044339 0.78502238481825 0.31974459931369 174.967 > 77 78 Lu 0.03464933044339 0.78502238481825 0.81974459931369 174.967 > 77 79 Lu 0.24962694562514 0.03464933044339 0.18025540068631 174.967 > 79 80 Lu 0.24962694562514 0.03464933044339 0.68025540068631 174.967 > 79 81 Lu 0.78502238481825 0.75037305437486 0.18025540068631 174.967 > 81 82 Lu 0.78502238481825 0.75037305437486 0.68025540068631 174.967 > 81 83 Lu 0.96535066955661 0.21497761518175 0.18025540068631 174.967 > 83 84 Lu 0.96535066955661 0.21497761518175 0.68025540068631 174.967 > 83 85 Lu 0.41703972104152 0.29868400288994 0.48641126598035 174.967 > 73 86 Lu 0.41703972104152 0.29868400288994 0.98641126598035 174.967 > 73 87 Lu 0.88164428184842 0.58296027895848 0.48641126598035 174.967 > 75 88 Lu 0.88164428184842 0.58296027895848 0.98641126598035 174.967 > 75 89 Lu 0.70131599711006 0.11835571815158 0.48641126598035 174.967 > 77 90 Lu 0.70131599711006 0.11835571815158 0.98641126598035 174.967 > 77 91 Lu 0.91629361229181 0.36798266377673 0.34692206735298 174.967 > 79 92 Lu 0.91629361229181 0.36798266377673 0.84692206735298 174.967 > 79 93 Lu 0.45168905148492 0.08370638770819 0.34692206735298 174.967 > 81 94 Lu 0.45168905148492 0.08370638770819 0.84692206735298 174.967 > 81 95 Lu 0.63201733622327 0.54831094851508 0.34692206735298 174.967 > 83 96 Lu 0.63201733622327 0.54831094851508 0.84692206735298 174.967 > 83 97 Lu 0.08370638770819 0.63201733622327 0.15307793264702 174.967 > 73 98 Lu 0.08370638770819 0.63201733622327 0.65307793264702 174.967 > 73 99 Lu 0.54831094851508 0.91629361229181 0.15307793264702 174.967 > 75 100 Lu 0.54831094851508 0.91629361229181 0.65307793264702 174.967 > 75 101 Lu 0.36798266377673 0.45168905148492 0.15307793264702 174.967 > 77 102 Lu 0.36798266377673 0.45168905148492 0.65307793264702 174.967 > 77 103 Lu 0.58296027895848 0.70131599711006 0.01358873401965 174.967 > 79 104 Lu 0.58296027895848 0.70131599711006 0.51358873401965 174.967 > 79 105 Lu 0.11835571815158 0.41703972104152 0.01358873401965 174.967 > 81 106 Lu 0.11835571815158 0.41703972104152 0.51358873401965 174.967 > 81 107 Lu 0.29868400288994 0.88164428184842 0.01358873401965 174.967 > 83 108 Lu 0.29868400288994 0.88164428184842 0.51358873401965 174.967 > 83 109 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 109 110 U 0.00000000000000 0.00000000000000 0.50000000000000 238.029 > 109 111 U 0.66666666666667 0.33333333333333 0.16666666666667 238.029 > 109 112 U 0.66666666666667 0.33333333333333 0.66666666666667 238.029 > 109 113 U 0.33333333333333 0.66666666666667 0.33333333333333 238.029 > 109 114 U 0.33333333333333 0.66666666666667 0.83333333333333 238.029 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5720888 -0.0000003 0.0000000 0.0000003 4.5720888 0.0000000 0.0000000 0.0000000 4.3153553 -------------------------- Born effective charges -------------------------- 1 O -2.3066512 0.0354953 -0.1905556 -0.0504773 -2.8699390 0.0105554 0.0335639 0.0284706 -2.2727062 2 O -2.7226296 0.2906426 0.1044191 0.2046699 -2.4539606 0.1597483 0.0078743 -0.0433025 -2.2727062 3 O -2.7356044 -0.1971789 0.0861365 -0.2831515 -2.4409858 -0.1703037 -0.0414382 0.0148319 -2.2727062 4 O -2.3066512 0.0354953 -0.1905556 -0.0504773 -2.8699390 0.0105554 0.0335639 0.0284706 -2.2727062 5 O -2.7226296 0.2906426 0.1044191 0.2046699 -2.4539606 0.1597483 0.0078743 -0.0433025 -2.2727062 6 O -2.7356044 -0.1971789 0.0861365 -0.2831515 -2.4409858 -0.1703037 -0.0414382 0.0148319 -2.2727062 7 O -1.8358047 0.7567752 0.6323053 0.7826977 -2.6498194 -0.7315196 0.6017561 -0.7567471 -2.2906200 8 O -1.7797044 -0.7503082 0.3173619 -0.7243857 -2.7059197 0.9133523 0.3544842 0.8995097 -2.2906200 9 O -3.1129270 -0.0453507 -0.9496672 -0.0194283 -1.3726970 -0.1818327 -0.9562403 -0.1427625 -2.2906200 10 O -1.8358047 0.7567752 0.6323053 0.7826977 -2.6498194 -0.7315196 0.6017561 -0.7567471 -2.2906200 11 O -1.7797044 -0.7503082 0.3173619 -0.7243857 -2.7059197 0.9133523 0.3544842 0.8995097 -2.2906200 12 O -3.1129270 -0.0453507 -0.9496672 -0.0194283 -1.3726970 -0.1818327 -0.9562403 -0.1427625 -2.2906200 13 Lu 3.5406045 0.0383040 0.0973523 0.1653961 4.0446785 0.4201541 -0.4144568 0.2572939 3.7822222 14 Lu 3.8304553 -0.3327415 0.3151880 -0.2056494 3.7548277 -0.2943866 0.4300515 0.2302831 3.7822222 15 Lu 4.0068647 0.1037994 -0.4125402 0.2308915 3.5784183 -0.1257675 -0.0155947 -0.4875771 3.7822222 16 Lu 3.5406045 0.0383040 0.0973523 0.1653961 4.0446785 0.4201541 -0.4144568 0.2572939 3.7822222 17 Lu 3.8304553 -0.3327415 0.3151880 -0.2056494 3.7548277 -0.2943866 0.4300515 0.2302831 3.7822222 18 Lu 4.0068647 0.1037994 -0.4125402 0.2308915 3.5784183 -0.1257675 -0.0155947 -0.4875771 3.7822222 19 U 6.2307936 0.2011258 0.0000000 -0.2011258 6.2307936 0.0000000 0.0000000 -0.0000000 4.6866239 ---------------------------------------------------------------------------- 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 109, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:54:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:54:50]------------------------- 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): [1 1 2] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.835839730082243 2.791973369920864 3.020918829999996 b -4.835839730082233 2.791973369920864 3.020918829999996 c 0.000000000000000 -5.583946739841728 3.020918829999996 Atomic positions (fractional): 1 O 0.17780579992639 0.58534839172079 0.42423961673593 15.999 2 O 0.58534839172079 0.42423961673593 0.17780579992639 15.999 3 O 0.42423961673593 0.17780579992639 0.58534839172079 15.999 4 O 0.82219420007361 0.41465160827921 0.57576038326407 15.999 5 O 0.41465160827921 0.57576038326407 0.82219420007361 15.999 6 O 0.57576038326407 0.82219420007362 0.41465160827921 15.999 7 O 0.91601069267366 0.68515906238699 0.05015116416832 15.999 8 O 0.94984883583168 0.08398930732634 0.31484093761301 15.999 9 O 0.31484093761301 0.94984883583168 0.08398930732634 15.999 10 O 0.08398930732634 0.31484093761301 0.94984883583168 15.999 11 O 0.05015116416832 0.91601069267366 0.68515906238699 15.999 12 O 0.68515906238699 0.05015116416832 0.91601069267366 15.999 13 Lu 0.38986225300223 0.85446681380913 0.67413852907076 174.967 14 Lu 0.85446681380912 0.67413852907077 0.38986225300223 174.967 15 Lu 0.67413852907077 0.38986225300223 0.85446681380912 174.967 16 Lu 0.61013774699777 0.14553318619088 0.32586147092923 174.967 17 Lu 0.14553318619088 0.32586147092924 0.61013774699777 174.967 18 Lu 0.32586147092923 0.61013774699777 0.14553318619088 174.967 19 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.671679460164476 0.000000000000000 0.000000000000000 b -4.835839730082238 8.375920109762601 0.000000000000000 c 0.000000000000000 0.000000000000000 18.125512979999996 Atomic positions (fractional): 1 O 0.78200786379868 0.97155831939177 0.19789896806385 15.999 > 1 2 O 0.78200786379868 0.97155831939177 0.69789896806385 15.999 > 1 3 O 0.18955045559309 0.21799213620132 0.19789896806385 15.999 > 3 4 O 0.18955045559309 0.21799213620132 0.69789896806385 15.999 > 3 5 O 0.02844168060823 0.81044954440691 0.19789896806385 15.999 > 5 6 O 0.02844168060823 0.81044954440691 0.69789896806385 15.999 > 5 7 O 0.21799213620132 0.02844168060823 0.30210103193615 15.999 > 7 8 O 0.21799213620132 0.02844168060823 0.80210103193615 15.999 > 7 9 O 0.81044954440691 0.78200786379868 0.30210103193615 15.999 > 9 10 O 0.81044954440691 0.78200786379868 0.80210103193615 15.999 > 9 11 O 0.97155831939177 0.18955045559309 0.30210103193615 15.999 > 11 12 O 0.97155831939177 0.18955045559309 0.80210103193615 15.999 > 11 13 O 0.36557038626400 0.50028914224134 0.27522015320483 15.999 > 13 14 O 0.36557038626400 0.50028914224134 0.77522015320483 15.999 > 13 15 O 0.50028914224134 0.13471875597733 0.22477984679517 15.999 > 15 16 O 0.50028914224134 0.13471875597733 0.72477984679517 15.999 > 15 17 O 0.86528124402267 0.36557038626400 0.22477984679517 15.999 > 17 18 O 0.86528124402267 0.36557038626400 0.72477984679517 15.999 > 17 19 O 0.63442961373600 0.49971085775866 0.22477984679517 15.999 > 19 20 O 0.63442961373600 0.49971085775866 0.72477984679517 15.999 > 19 21 O 0.49971085775866 0.86528124402267 0.27522015320483 15.999 > 21 22 O 0.49971085775866 0.86528124402267 0.77522015320483 15.999 > 21 23 O 0.13471875597733 0.63442961373600 0.27522015320483 15.999 > 23 24 O 0.13471875597733 0.63442961373600 0.77522015320483 15.999 > 23 25 O 0.44867453046535 0.30489165272510 0.36456563473052 15.999 > 1 26 O 0.44867453046535 0.30489165272510 0.86456563473052 15.999 > 1 27 O 0.85621712225975 0.55132546953465 0.36456563473052 15.999 > 3 28 O 0.85621712225975 0.55132546953465 0.86456563473052 15.999 > 3 29 O 0.69510834727490 0.14378287774025 0.36456563473052 15.999 > 5 30 O 0.69510834727490 0.14378287774025 0.86456563473052 15.999 > 5 31 O 0.88465880286798 0.36177501394156 0.46876769860282 15.999 > 7 32 O 0.88465880286798 0.36177501394156 0.96876769860282 15.999 > 7 33 O 0.47711621107358 0.11534119713202 0.46876769860282 15.999 > 9 34 O 0.47711621107358 0.11534119713202 0.96876769860282 15.999 > 9 35 O 0.63822498605844 0.52288378892642 0.46876769860282 15.999 > 11 36 O 0.63822498605844 0.52288378892642 0.96876769860282 15.999 > 11 37 O 0.03223705293067 0.83362247557467 0.44188681987149 15.999 > 13 38 O 0.03223705293067 0.83362247557467 0.94188681987149 15.999 > 13 39 O 0.16695580890800 0.46805208931067 0.39144651346184 15.999 > 15 40 O 0.16695580890800 0.46805208931067 0.89144651346184 15.999 > 15 41 O 0.53194791068933 0.69890371959733 0.39144651346184 15.999 > 17 42 O 0.53194791068933 0.69890371959733 0.89144651346184 15.999 > 17 43 O 0.30109628040266 0.83304419109200 0.39144651346184 15.999 > 19 44 O 0.30109628040266 0.83304419109200 0.89144651346184 15.999 > 19 45 O 0.16637752442533 0.19861457735600 0.44188681987149 15.999 > 21 46 O 0.16637752442533 0.19861457735600 0.94188681987149 15.999 > 21 47 O 0.80138542264400 0.96776294706933 0.44188681987149 15.999 > 23 48 O 0.80138542264400 0.96776294706933 0.94188681987149 15.999 > 23 49 O 0.11534119713202 0.63822498605844 0.03123230139718 15.999 > 1 50 O 0.11534119713202 0.63822498605844 0.53123230139718 15.999 > 1 51 O 0.52288378892642 0.88465880286798 0.03123230139718 15.999 > 3 52 O 0.52288378892642 0.88465880286798 0.53123230139718 15.999 > 3 53 O 0.36177501394156 0.47711621107358 0.03123230139718 15.999 > 5 54 O 0.36177501394156 0.47711621107358 0.53123230139718 15.999 > 5 55 O 0.55132546953465 0.69510834727490 0.13543436526948 15.999 > 7 56 O 0.55132546953465 0.69510834727490 0.63543436526948 15.999 > 7 57 O 0.14378287774025 0.44867453046535 0.13543436526948 15.999 > 9 58 O 0.14378287774025 0.44867453046535 0.63543436526948 15.999 > 9 59 O 0.30489165272510 0.85621712225975 0.13543436526948 15.999 > 11 60 O 0.30489165272510 0.85621712225975 0.63543436526948 15.999 > 11 61 O 0.69890371959733 0.16695580890800 0.10855348653816 15.999 > 13 62 O 0.69890371959733 0.16695580890800 0.60855348653816 15.999 > 13 63 O 0.83362247557467 0.80138542264400 0.05811318012851 15.999 > 15 64 O 0.83362247557467 0.80138542264400 0.55811318012851 15.999 > 15 65 O 0.19861457735600 0.03223705293067 0.05811318012851 15.999 > 17 66 O 0.19861457735600 0.03223705293067 0.55811318012851 15.999 > 17 67 O 0.96776294706933 0.16637752442533 0.05811318012851 15.999 > 19 68 O 0.96776294706933 0.16637752442533 0.55811318012851 15.999 > 19 69 O 0.83304419109200 0.53194791068933 0.10855348653816 15.999 > 21 70 O 0.83304419109200 0.53194791068933 0.60855348653816 15.999 > 21 71 O 0.46805208931067 0.30109628040266 0.10855348653816 15.999 > 23 72 O 0.46805208931067 0.30109628040266 0.60855348653816 15.999 > 23 73 Lu 0.75037305437486 0.96535066955661 0.31974459931369 174.967 > 73 74 Lu 0.75037305437486 0.96535066955661 0.81974459931369 174.967 > 73 75 Lu 0.21497761518175 0.24962694562514 0.31974459931369 174.967 > 75 76 Lu 0.21497761518175 0.24962694562514 0.81974459931369 174.967 > 75 77 Lu 0.03464933044339 0.78502238481825 0.31974459931369 174.967 > 77 78 Lu 0.03464933044339 0.78502238481825 0.81974459931369 174.967 > 77 79 Lu 0.24962694562514 0.03464933044339 0.18025540068631 174.967 > 79 80 Lu 0.24962694562514 0.03464933044339 0.68025540068631 174.967 > 79 81 Lu 0.78502238481825 0.75037305437486 0.18025540068631 174.967 > 81 82 Lu 0.78502238481825 0.75037305437486 0.68025540068631 174.967 > 81 83 Lu 0.96535066955661 0.21497761518175 0.18025540068631 174.967 > 83 84 Lu 0.96535066955661 0.21497761518175 0.68025540068631 174.967 > 83 85 Lu 0.41703972104152 0.29868400288994 0.48641126598035 174.967 > 73 86 Lu 0.41703972104152 0.29868400288994 0.98641126598035 174.967 > 73 87 Lu 0.88164428184842 0.58296027895848 0.48641126598035 174.967 > 75 88 Lu 0.88164428184842 0.58296027895848 0.98641126598035 174.967 > 75 89 Lu 0.70131599711006 0.11835571815158 0.48641126598035 174.967 > 77 90 Lu 0.70131599711006 0.11835571815158 0.98641126598035 174.967 > 77 91 Lu 0.91629361229181 0.36798266377673 0.34692206735298 174.967 > 79 92 Lu 0.91629361229181 0.36798266377673 0.84692206735298 174.967 > 79 93 Lu 0.45168905148492 0.08370638770819 0.34692206735298 174.967 > 81 94 Lu 0.45168905148492 0.08370638770819 0.84692206735298 174.967 > 81 95 Lu 0.63201733622327 0.54831094851508 0.34692206735298 174.967 > 83 96 Lu 0.63201733622327 0.54831094851508 0.84692206735298 174.967 > 83 97 Lu 0.08370638770819 0.63201733622327 0.15307793264702 174.967 > 73 98 Lu 0.08370638770819 0.63201733622327 0.65307793264702 174.967 > 73 99 Lu 0.54831094851508 0.91629361229181 0.15307793264702 174.967 > 75 100 Lu 0.54831094851508 0.91629361229181 0.65307793264702 174.967 > 75 101 Lu 0.36798266377673 0.45168905148492 0.15307793264702 174.967 > 77 102 Lu 0.36798266377673 0.45168905148492 0.65307793264702 174.967 > 77 103 Lu 0.58296027895848 0.70131599711006 0.01358873401965 174.967 > 79 104 Lu 0.58296027895848 0.70131599711006 0.51358873401965 174.967 > 79 105 Lu 0.11835571815158 0.41703972104152 0.01358873401965 174.967 > 81 106 Lu 0.11835571815158 0.41703972104152 0.51358873401965 174.967 > 81 107 Lu 0.29868400288994 0.88164428184842 0.01358873401965 174.967 > 83 108 Lu 0.29868400288994 0.88164428184842 0.51358873401965 174.967 > 83 109 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 109 110 U 0.00000000000000 0.00000000000000 0.50000000000000 238.029 > 109 111 U 0.66666666666667 0.33333333333333 0.16666666666667 238.029 > 109 112 U 0.66666666666667 0.33333333333333 0.66666666666667 238.029 > 109 113 U 0.33333333333333 0.66666666666667 0.33333333333333 238.029 > 109 114 U 0.33333333333333 0.66666666666667 0.83333333333333 238.029 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.5720888 -0.0000003 0.0000000 0.0000003 4.5720888 0.0000000 0.0000000 0.0000000 4.3153553 -------------------------- Born effective charges -------------------------- 1 O -2.3066512 0.0354953 -0.1905556 -0.0504773 -2.8699390 0.0105554 0.0335639 0.0284706 -2.2727062 2 O -2.7226296 0.2906426 0.1044191 0.2046699 -2.4539606 0.1597483 0.0078743 -0.0433025 -2.2727062 3 O -2.7356044 -0.1971789 0.0861365 -0.2831515 -2.4409858 -0.1703037 -0.0414382 0.0148319 -2.2727062 4 O -2.3066512 0.0354953 -0.1905556 -0.0504773 -2.8699390 0.0105554 0.0335639 0.0284706 -2.2727062 5 O -2.7226296 0.2906426 0.1044191 0.2046699 -2.4539606 0.1597483 0.0078743 -0.0433025 -2.2727062 6 O -2.7356044 -0.1971789 0.0861365 -0.2831515 -2.4409858 -0.1703037 -0.0414382 0.0148319 -2.2727062 7 O -1.8358047 0.7567752 0.6323053 0.7826977 -2.6498194 -0.7315196 0.6017561 -0.7567471 -2.2906200 8 O -1.7797044 -0.7503082 0.3173619 -0.7243857 -2.7059197 0.9133523 0.3544842 0.8995097 -2.2906200 9 O -3.1129270 -0.0453507 -0.9496672 -0.0194283 -1.3726970 -0.1818327 -0.9562403 -0.1427625 -2.2906200 10 O -1.8358047 0.7567752 0.6323053 0.7826977 -2.6498194 -0.7315196 0.6017561 -0.7567471 -2.2906200 11 O -1.7797044 -0.7503082 0.3173619 -0.7243857 -2.7059197 0.9133523 0.3544842 0.8995097 -2.2906200 12 O -3.1129270 -0.0453507 -0.9496672 -0.0194283 -1.3726970 -0.1818327 -0.9562403 -0.1427625 -2.2906200 13 Lu 3.5406045 0.0383040 0.0973523 0.1653961 4.0446785 0.4201541 -0.4144568 0.2572939 3.7822222 14 Lu 3.8304553 -0.3327415 0.3151880 -0.2056494 3.7548277 -0.2943866 0.4300515 0.2302831 3.7822222 15 Lu 4.0068647 0.1037994 -0.4125402 0.2308915 3.5784183 -0.1257675 -0.0155947 -0.4875771 3.7822222 16 Lu 3.5406045 0.0383040 0.0973523 0.1653961 4.0446785 0.4201541 -0.4144568 0.2572939 3.7822222 17 Lu 3.8304553 -0.3327415 0.3151880 -0.2056494 3.7548277 -0.2943866 0.4300515 0.2302831 3.7822222 18 Lu 4.0068647 0.1037994 -0.4125402 0.2308915 3.5784183 -0.1257675 -0.0155947 -0.4875771 3.7822222 19 U 6.2307936 0.2011258 0.0000000 -0.2011258 6.2307936 0.0000000 0.0000000 -0.0000000 4.6866239 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) --------------------------- 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 ... [ 8 8 8 ] 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: 0.66, Number of G-points: 299, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 90 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 2.628 ( 0.000 0.000 0.000) 0.000 2.628 ( 0.000 0.000 0.000) 0.000 2.975 ( 0.000 0.000 0.000) 0.000 3.095 ( 0.000 0.000 0.000) 0.000 3.095 ( 0.000 0.000 0.000) 0.000 3.407 ( 0.000 0.000 0.000) 0.000 3.604 ( 0.000 0.000 0.000) 0.000 3.712 ( 0.000 0.000 0.000) 0.000 3.712 ( 0.000 0.000 0.000) 0.000 3.732 ( 0.000 0.000 0.000) 0.000 4.161 ( 0.000 0.000 0.000) 0.000 4.161 ( 0.000 0.000 0.000) 0.000 4.617 ( 0.000 0.000 0.000) 0.000 5.040 ( 0.000 0.000 0.000) 0.000 5.040 ( 0.000 0.000 0.000) 0.000 5.436 ( 0.000 0.000 0.000) 0.000 5.587 ( 0.000 0.000 0.000) 0.000 5.587 ( 0.000 0.000 0.000) 0.000 7.072 ( 0.000 0.000 0.000) 0.000 7.437 ( 0.000 0.000 0.000) 0.000 7.437 ( 0.000 0.000 0.000) 0.000 7.787 ( 0.000 0.000 0.000) 0.000 7.787 ( 0.000 0.000 0.000) 0.000 8.065 ( 0.000 0.000 0.000) 0.000 9.849 ( 0.000 0.000 0.000) 0.000 9.849 ( 0.000 0.000 0.000) 0.000 10.047 ( 0.000 0.000 0.000) 0.000 10.511 ( 0.000 0.000 0.000) 0.000 10.511 ( 0.000 0.000 0.000) 0.000 10.686 ( 0.000 0.000 0.000) 0.000 11.357 ( 0.000 0.000 0.000) 0.000 11.445 ( 0.000 0.000 0.000) 0.000 11.445 ( 0.000 0.000 0.000) 0.000 11.773 ( 0.000 0.000 0.000) 0.000 11.832 ( 0.000 0.000 0.000) 0.000 11.832 ( 0.000 0.000 0.000) 0.000 12.225 ( 0.000 0.000 0.000) 0.000 12.225 ( 0.000 0.000 0.000) 0.000 12.452 ( 0.000 0.000 0.000) 0.000 12.559 ( 0.000 0.000 0.000) 0.000 12.559 ( 0.000 0.000 0.000) 0.000 14.264 ( 0.000 0.000 0.000) 0.000 15.544 ( 0.000 0.000 0.000) 0.000 15.715 ( 0.000 0.000 0.000) 0.000 15.795 ( 0.000 0.000 0.000) 0.000 15.795 ( 0.000 0.000 0.000) 0.000 16.325 ( 0.000 0.000 0.000) 0.000 16.325 ( 0.000 0.000 0.000) 0.000 17.588 ( 0.000 0.000 0.000) 0.000 17.588 ( 0.000 0.000 0.000) 0.000 17.774 ( 0.000 0.000 0.000) 0.000 19.031 ( 0.000 0.000 0.000) 0.000 19.031 ( 0.000 0.000 0.000) 0.000 22.138 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.12 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( 20.492 0.720 19.840) 28.532 0.586 ( 18.318 13.899 16.553) 28.333 0.932 ( 20.596 15.933 37.147) 45.365 2.612 ( -2.720 0.919 -0.354) 2.892 2.663 ( 1.347 -0.164 3.110) 3.393 2.930 ( -1.427 -3.910 -4.478) 6.114 3.044 ( -5.131 -4.154 -0.411) 6.614 3.116 ( -0.916 3.602 -8.386) 9.173 3.338 ( -1.762 -1.480 -18.760) 18.901 3.509 ( 3.394 -0.509 2.694) 4.363 3.661 ( -6.468 -0.955 1.413) 6.689 3.722 ( -0.863 0.652 1.931) 2.214 3.950 ( 2.073 -1.202 10.891) 11.152 4.180 ( 3.290 1.735 -0.952) 3.839 4.233 ( 0.155 0.523 -6.773) 6.795 4.686 ( 8.064 5.019 -4.986) 10.728 4.953 ( -2.709 -1.853 -7.829) 8.489 5.079 ( 5.524 3.180 -4.795) 7.976 5.403 ( -4.022 -1.946 -0.775) 4.534 5.628 ( 2.291 0.867 2.929) 3.818 5.668 ( 2.818 1.034 5.696) 6.439 7.158 ( -18.489 -11.803 -2.046) 22.030 7.406 ( -3.845 1.356 0.508) 4.109 7.583 ( -5.818 -5.496 8.845) 11.929 7.793 ( -1.426 -2.120 2.923) 3.882 7.898 ( -0.192 4.984 5.954) 7.767 8.202 ( 4.644 -0.870 14.090) 14.861 9.807 ( -4.768 -0.294 -0.362) 4.790 9.845 ( 1.488 -5.547 1.071) 5.842 10.161 ( -1.724 0.934 -0.542) 2.034 10.503 ( -1.957 1.989 -3.776) 4.695 10.598 ( 0.968 -0.533 -6.232) 6.329 11.038 ( -1.039 -5.554 1.616) 5.877 11.281 ( -13.013 0.839 -5.260) 14.061 11.309 ( -2.684 -13.751 -4.204) 14.628 11.748 ( -1.347 -0.408 -1.726) 2.227 11.872 ( -0.681 12.203 -3.168) 12.626 11.888 ( 1.225 -5.709 4.560) 7.408 12.021 ( 11.302 -1.779 -2.885) 11.799 12.188 ( -4.489 -11.550 6.465) 13.976 12.390 ( -8.786 22.783 8.610) 25.892 12.564 ( 4.480 1.679 5.780) 7.503 12.669 ( 10.777 -7.413 11.816) 17.627 14.230 ( -2.448 -1.462 -1.586) 3.262 14.919 ( 6.122 6.437 -9.740) 13.183 15.518 ( -18.327 -4.611 -7.603) 20.370 15.605 ( -7.153 -10.689 0.737) 12.883 15.775 ( -0.835 -7.390 6.893) 10.140 15.877 ( 0.028 2.326 8.924) 9.222 16.467 ( 1.523 13.654 4.973) 14.612 16.881 ( 18.827 5.748 -9.869) 22.020 17.601 ( -2.106 0.807 0.257) 2.270 17.657 ( 11.273 -3.237 -10.410) 15.682 19.012 ( -2.900 -2.571 1.452) 4.138 19.058 ( -2.430 1.176 5.012) 5.693 19.983 ( 16.791 14.086 -24.530) 32.895 22.134 ( -0.339 -0.199 -0.165) 0.427 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.25 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 22.167 0.714 15.872) 27.272 1.126 ( 13.378 13.695 17.138) 25.695 1.743 ( 13.457 9.439 31.832) 35.825 2.557 ( -4.645 0.103 -2.279) 5.175 2.689 ( -1.258 -2.697 -2.159) 3.676 2.823 ( 0.059 -4.562 -1.048) 4.681 2.929 ( -2.651 -1.350 -2.899) 4.155 3.030 ( -3.974 2.362 -14.549) 15.265 3.076 ( -0.855 2.527 -3.672) 4.538 3.506 ( -4.814 -3.151 0.865) 5.819 3.638 ( -0.779 1.844 1.157) 2.312 3.759 ( -1.177 -0.457 6.036) 6.167 3.977 ( -2.014 -1.576 -4.798) 5.437 4.185 ( 5.251 -1.919 -2.833) 6.268 4.273 ( -0.296 -0.583 6.945) 6.976 4.633 ( -0.526 -0.859 -12.969) 13.008 4.842 ( 2.449 1.703 -4.753) 5.612 5.157 ( 7.891 7.177 -4.096) 11.426 5.321 ( -4.798 -3.245 1.503) 5.984 5.725 ( 2.154 2.542 4.171) 5.339 5.768 ( 1.484 -2.587 4.571) 5.458 6.789 ( -14.586 -8.556 -7.460) 18.483 7.373 ( -2.570 1.745 -0.722) 3.189 7.607 ( 6.327 -2.083 -1.606) 6.852 7.786 ( -6.393 -0.472 4.625) 7.905 7.985 ( -4.467 4.268 6.506) 8.972 8.465 ( 7.565 -1.568 11.088) 13.515 9.753 ( -1.531 -1.440 0.554) 2.173 9.842 ( 3.353 -7.132 1.305) 7.988 10.097 ( -0.701 6.762 -11.351) 13.231 10.395 ( -3.523 3.640 -4.695) 6.907 10.584 ( 0.203 2.259 -2.293) 3.225 10.938 ( -0.343 -12.156 -2.631) 12.442 11.030 ( -10.127 -15.482 -1.232) 18.541 11.164 ( -6.708 -4.024 3.503) 8.571 11.714 ( -0.040 2.786 -2.547) 3.776 11.811 ( -5.874 4.203 -5.284) 8.949 11.924 ( 0.668 3.176 -0.358) 3.265 12.127 ( -3.437 -10.451 5.589) 12.340 12.197 ( 10.882 2.981 -0.075) 11.284 12.501 ( -6.668 16.399 2.549) 17.885 12.773 ( 13.404 0.951 6.390) 14.880 12.995 ( 9.509 -3.205 17.963) 20.575 14.146 ( -3.273 -2.389 -2.502) 4.763 14.919 ( 4.684 10.629 -9.952) 15.296 15.099 ( -20.611 -4.264 -9.241) 22.987 15.416 ( -3.778 -16.871 -2.030) 17.407 15.820 ( 0.038 -3.989 5.969) 7.180 16.059 ( 1.781 8.195 9.822) 12.915 16.620 ( -1.387 11.630 3.004) 12.092 17.003 ( 11.590 -2.847 -6.978) 13.825 17.542 ( -1.138 5.939 -3.138) 6.813 17.716 ( 13.189 -7.762 -1.451) 15.372 18.962 ( -5.012 -4.204 2.590) 7.035 19.104 ( -4.250 1.265 5.940) 7.413 19.964 ( 7.698 10.884 -14.432) 19.647 22.123 ( -0.496 -0.301 -0.219) 0.620 ======================= Grid point 3 (4/90) ======================= q-point: ( 0.38 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 19.164 3.832 11.513) 22.683 1.623 ( 11.955 10.114 18.548) 24.275 2.182 ( -0.661 0.923 8.490) 8.565 2.402 ( -7.655 -3.681 -2.968) 8.998 2.494 ( -6.727 -9.474 -9.252) 14.854 2.797 ( -0.152 0.710 -3.896) 3.963 2.823 ( -0.861 -0.304 -7.287) 7.344 2.977 ( -2.542 3.668 7.526) 8.750 3.158 ( 8.564 6.668 5.509) 12.172 3.480 ( -1.917 2.193 3.214) 4.337 3.636 ( -0.605 0.966 -1.502) 1.886 3.829 ( -3.807 0.668 -8.303) 9.159 3.853 ( 0.722 -3.375 8.267) 8.959 4.189 ( 5.542 -4.851 -5.663) 9.291 4.223 ( -7.156 -3.500 -5.085) 9.450 4.509 ( 1.538 0.904 -1.079) 2.085 4.863 ( 4.113 2.254 -2.139) 5.155 5.163 ( -1.034 2.625 -5.799) 6.449 5.346 ( 2.356 0.685 3.777) 4.504 5.750 ( -3.481 -1.471 -0.089) 3.781 5.842 ( 2.824 -1.322 4.160) 5.198 6.499 ( -8.028 -3.823 -5.135) 10.268 7.353 ( -0.967 1.180 -0.388) 1.574 7.660 ( 12.493 -2.892 -6.363) 14.315 7.752 ( -12.887 2.666 7.900) 15.349 8.031 ( -2.586 1.730 3.579) 4.743 8.640 ( 4.209 -1.127 4.545) 6.296 9.757 ( 1.167 -1.646 0.953) 2.231 9.854 ( 0.798 -3.640 -1.335) 3.959 10.002 ( 3.085 2.202 -2.421) 4.498 10.346 ( -2.417 8.473 -6.772) 11.113 10.540 ( -6.019 2.412 0.752) 6.527 10.770 ( -5.005 -15.993 -0.857) 16.780 10.846 ( 2.318 -4.795 -5.822) 7.890 11.168 ( -1.184 -5.947 8.923) 10.788 11.666 ( -2.462 1.593 -7.929) 8.453 11.726 ( -2.614 4.357 0.407) 5.097 11.950 ( 1.418 6.141 -2.297) 6.708 12.069 ( -4.969 -10.040 5.278) 12.384 12.315 ( 5.155 2.342 -1.050) 5.759 12.553 ( -3.788 8.452 1.498) 9.382 13.076 ( 15.559 2.493 6.391) 17.004 13.283 ( 4.044 -3.011 12.032) 13.046 14.064 ( -1.056 -2.169 -1.958) 3.107 14.672 ( -17.145 -0.845 -9.057) 19.408 14.969 ( 3.456 14.268 -7.373) 16.428 15.223 ( -3.100 -19.376 0.801) 19.638 15.867 ( 0.223 -1.781 3.355) 3.805 16.303 ( 1.072 12.594 10.838) 16.650 16.692 ( 4.867 -2.826 -0.237) 5.633 16.900 ( -4.239 -1.901 -9.464) 10.543 17.618 ( 3.959 7.042 1.504) 8.218 17.798 ( 9.564 -6.467 -1.429) 11.633 18.903 ( -4.393 -3.552 2.476) 6.168 19.123 ( -3.690 0.868 3.274) 5.009 19.951 ( 3.672 6.772 -7.721) 10.907 22.113 ( -0.362 -0.226 -0.142) 0.450 ======================= Grid point 4 (5/90) ======================= q-point: (-0.50 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -0.000 -0.000 -0.000) 0.000 1.981 ( 0.000 0.000 0.000) 0.000 2.056 ( -0.000 -0.000 -0.000) 0.000 2.122 ( 0.000 0.000 0.000) 0.000 2.418 ( 0.000 0.000 0.000) 0.000 2.756 ( 0.000 0.000 0.000) 0.000 2.778 ( 0.000 0.000 0.000) 0.000 3.016 ( 0.000 0.000 0.000) 0.000 3.395 ( 0.000 0.000 -0.000) 0.000 3.551 ( -0.000 -0.000 -0.000) 0.000 3.564 ( 0.000 0.000 0.000) 0.000 3.734 ( 0.000 0.000 0.000) 0.000 3.873 ( 0.000 0.000 0.000) 0.000 4.104 ( 0.000 0.000 0.000) 0.000 4.162 ( 0.000 0.000 0.000) 0.000 4.534 ( 0.000 0.000 0.000) 0.000 4.890 ( 0.000 0.000 0.000) 0.000 5.110 ( 0.000 -0.000 0.000) 0.000 5.400 ( 0.000 0.000 0.000) 0.000 5.701 ( 0.000 0.000 0.000) 0.000 5.888 ( 0.000 0.000 0.000) 0.000 6.398 ( 0.000 0.000 0.000) 0.000 7.350 ( 0.000 0.000 0.000) 0.000 7.690 ( -0.000 0.000 0.000) 0.000 7.730 ( 0.000 0.000 -0.000) 0.000 8.045 ( 0.000 0.000 0.000) 0.000 8.692 ( 0.000 0.000 0.000) 0.000 9.783 ( -0.000 -0.000 -0.000) 0.000 9.788 ( 0.000 0.000 0.000) 0.000 10.108 ( 0.000 0.000 0.000) 0.000 10.240 ( -0.000 -0.000 0.000) 0.000 10.543 ( 0.000 0.000 0.000) 0.000 10.646 ( 0.000 -0.000 0.000) 0.000 10.804 ( 0.000 0.000 0.000) 0.000 11.221 ( 0.000 0.000 0.000) 0.000 11.581 ( 0.000 0.000 0.000) 0.000 11.733 ( 0.000 0.000 0.000) 0.000 11.995 ( 0.000 0.000 -0.000) 0.000 12.004 ( -0.000 -0.000 0.000) 0.000 12.348 ( 0.000 0.000 -0.000) 0.000 12.570 ( -0.000 0.000 0.000) 0.000 13.289 ( 0.000 0.000 0.000) 0.000 13.348 ( -0.000 -0.000 0.000) 0.000 14.041 ( 0.000 0.000 0.000) 0.000 14.467 ( 0.000 0.000 0.000) 0.000 15.018 ( 0.000 0.000 0.000) 0.000 15.109 ( 0.000 -0.000 0.000) 0.000 15.886 ( 0.000 0.000 0.000) 0.000 16.500 ( 0.000 0.000 0.000) 0.000 16.685 ( 0.000 -0.000 -0.000) 0.000 16.751 ( 0.000 0.000 0.000) 0.000 17.699 ( 0.000 -0.000 0.000) 0.000 17.820 ( 0.000 0.000 0.000) 0.000 18.877 ( 0.000 0.000 0.000) 0.000 19.122 ( 0.000 0.000 -0.000) 0.000 19.947 ( 0.000 0.000 0.000) 0.000 22.109 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 10 (6/90) ======================= q-point: ( 0.12 0.12 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( -4.051 1.196 24.193) 24.559 0.925 ( 1.048 14.130 24.319) 28.145 1.559 ( 0.689 19.932 42.210) 46.685 2.597 ( 1.195 -6.504 -0.071) 6.613 2.711 ( -0.452 1.888 2.840) 3.440 2.872 ( -1.232 -3.188 -5.891) 6.810 2.944 ( -1.305 -6.258 -5.813) 8.641 3.072 ( 3.107 2.807 -4.136) 5.886 3.097 ( -0.174 0.699 -16.675) 16.690 3.560 ( -2.525 -2.555 3.683) 5.145 3.703 ( 5.937 -0.021 1.823) 6.211 3.753 ( -1.844 1.305 3.167) 3.890 3.964 ( -1.597 -10.246 -1.385) 10.462 4.167 ( 0.326 2.853 -1.681) 3.328 4.246 ( -1.390 8.151 4.768) 9.545 4.598 ( 0.026 0.927 -6.168) 6.238 4.886 ( -2.337 1.866 -8.248) 8.773 4.964 ( 3.000 4.610 -6.164) 8.261 5.403 ( -0.085 -2.649 0.165) 2.655 5.668 ( -0.083 -2.425 5.649) 6.148 5.770 ( -0.676 4.607 6.067) 7.648 7.138 ( -3.404 -16.707 -9.081) 19.318 7.264 ( 6.449 -3.713 -5.823) 9.449 7.550 ( -3.130 5.149 -7.984) 10.002 7.854 ( 0.542 -7.944 7.342) 10.831 8.043 ( 2.034 4.686 8.911) 10.272 8.446 ( -1.797 -7.479 18.656) 20.180 9.781 ( 0.803 -4.343 0.152) 4.419 9.832 ( -4.362 -1.612 -2.645) 5.350 10.081 ( 2.046 0.154 -9.630) 9.846 10.441 ( 5.642 0.147 -5.960) 8.208 10.517 ( -3.538 4.510 -7.501) 9.440 11.094 ( -3.799 -14.378 -3.973) 15.393 11.211 ( -5.609 -2.155 1.741) 6.256 11.323 ( 1.747 0.588 3.143) 3.644 11.683 ( 0.676 -2.899 -4.944) 5.771 11.755 ( 9.345 0.178 -4.169) 10.234 11.970 ( -4.614 5.774 -4.412) 8.608 12.003 ( -4.927 -2.101 2.705) 6.000 12.195 ( -2.135 -11.021 4.465) 12.081 12.483 ( 9.526 5.746 8.114) 13.769 12.687 ( -1.771 2.355 9.318) 9.773 12.956 ( -3.553 10.916 16.728) 20.288 14.190 ( -0.248 -2.958 -3.724) 4.762 14.753 ( 2.835 7.900 -12.533) 15.084 15.361 ( 2.812 -18.899 -10.775) 21.936 15.689 ( -14.757 -8.225 0.610) 16.905 15.789 ( 12.838 1.546 0.581) 12.944 15.889 ( -5.330 -18.723 10.039) 21.903 16.429 ( 6.761 6.115 2.456) 9.442 16.968 ( -1.203 39.863 -6.981) 40.487 17.492 ( 0.628 -7.041 -1.119) 7.157 17.669 ( -5.267 4.603 1.294) 7.114 19.056 ( 0.318 -4.732 3.990) 6.198 19.211 ( -0.588 4.268 9.611) 10.532 19.675 ( 3.954 12.528 -15.744) 20.505 22.130 ( -0.000 -0.433 -0.371) 0.571 ======================= Grid point 11 (7/90) ======================= q-point: ( 0.25 0.12 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 11.111 -0.179 21.506) 24.207 1.393 ( 5.636 12.011 21.916) 25.619 2.196 ( -0.877 11.470 24.908) 27.436 2.509 ( -1.385 -11.302 -2.670) 11.695 2.658 ( -5.250 -4.453 -7.285) 10.023 2.798 ( 0.905 -0.135 -1.296) 1.587 2.837 ( -0.045 -0.649 -1.405) 1.548 2.959 ( 2.197 5.993 -2.314) 6.789 3.092 ( 0.141 4.668 -2.344) 5.226 3.519 ( -0.409 -3.984 0.444) 4.030 3.731 ( -7.261 2.283 1.287) 7.719 3.824 ( 0.260 -4.755 3.395) 5.848 3.900 ( 6.535 -5.337 2.817) 8.895 4.112 ( -4.149 1.301 -4.454) 6.225 4.363 ( -0.151 3.238 4.651) 5.669 4.454 ( -0.983 0.205 -13.093) 13.131 4.763 ( 0.252 2.155 -7.198) 7.518 5.030 ( 8.936 7.179 -5.026) 12.516 5.388 ( -2.832 -2.770 4.297) 5.844 5.746 ( 3.273 -2.583 4.790) 6.350 5.841 ( -3.155 2.121 3.024) 4.857 6.783 ( -11.402 -10.435 -8.975) 17.873 7.285 ( 12.108 -5.118 -6.355) 14.601 7.456 ( -2.668 5.047 -5.543) 7.957 7.904 ( -0.793 -7.474 8.508) 11.352 8.170 ( -3.379 2.462 5.144) 6.629 8.583 ( -1.302 -7.110 13.387) 15.214 9.720 ( -0.462 -3.349 -2.605) 4.268 9.793 ( 1.510 -3.859 3.713) 5.564 10.009 ( -0.258 6.282 -8.916) 10.910 10.369 ( -0.551 3.376 -9.611) 10.201 10.474 ( 8.060 2.659 -4.835) 9.768 10.896 ( -3.975 -11.726 -4.849) 13.297 11.047 ( -16.281 -4.649 4.642) 17.556 11.317 ( -6.528 -5.513 4.535) 9.673 11.625 ( 2.578 -0.539 -5.880) 6.443 11.821 ( 4.814 -6.368 -5.962) 9.964 11.945 ( 6.859 2.657 0.857) 7.406 11.983 ( -1.976 10.757 -4.099) 11.680 12.166 ( 0.478 -10.554 3.211) 11.042 12.748 ( 3.800 -6.778 11.715) 14.058 12.774 ( -2.975 19.396 4.395) 20.109 13.240 ( -1.392 6.396 18.003) 19.156 14.084 ( -1.033 -5.248 -5.412) 7.609 14.730 ( 10.152 11.696 -15.249) 21.734 15.100 ( -3.702 -13.994 -6.368) 15.815 15.391 ( -16.044 -12.970 -0.642) 20.640 15.832 ( 0.170 -8.996 3.818) 9.774 16.033 ( 15.857 -2.371 4.411) 16.629 16.566 ( 4.309 5.141 -2.332) 7.102 17.074 ( -4.740 25.256 -8.440) 27.048 17.508 ( 5.447 -2.668 1.831) 6.336 17.692 ( -3.527 3.778 8.855) 10.253 19.051 ( -4.529 -7.342 5.402) 10.178 19.252 ( -8.220 4.438 1.241) 9.424 19.730 ( 13.864 9.402 -8.616) 18.837 22.119 ( -0.095 -0.576 -0.527) 0.786 ======================= Grid point 12 (8/90) ======================= q-point: ( 0.38 0.12 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 15.476 0.380 18.400) 24.046 1.837 ( 6.838 9.271 18.747) 22.003 2.243 ( -8.179 -4.122 -6.810) 11.413 2.369 ( -7.765 -8.259 -12.440) 16.831 2.395 ( 0.492 -6.038 -2.988) 6.755 2.810 ( -2.625 -1.487 3.570) 4.674 2.837 ( -3.329 3.683 2.953) 5.776 3.031 ( -2.486 2.905 -7.336) 8.272 3.243 ( 8.165 6.043 14.380) 17.606 3.567 ( 0.738 2.149 5.558) 6.004 3.682 ( -4.345 2.696 1.619) 5.363 3.828 ( 1.002 -1.444 3.093) 3.557 3.919 ( -8.060 -2.551 -2.053) 8.700 4.029 ( 0.468 -2.048 -3.857) 4.393 4.205 ( -2.565 -1.619 -4.283) 5.248 4.499 ( 2.881 5.417 0.215) 6.139 4.728 ( 7.582 -0.773 -5.428) 9.357 5.119 ( 4.506 7.686 -3.535) 9.585 5.407 ( -2.605 -3.348 6.196) 7.509 5.791 ( -5.929 -2.451 -0.229) 6.420 5.825 ( 4.028 -1.294 0.897) 4.325 6.503 ( -7.000 -3.267 -5.534) 9.503 7.316 ( 13.756 -5.887 -7.402) 16.694 7.399 ( -1.796 3.159 -3.132) 4.797 7.951 ( -2.489 -5.304 7.834) 9.782 8.138 ( -7.692 -3.740 2.738) 8.980 8.681 ( 0.335 -3.908 7.408) 8.382 9.715 ( 3.394 -0.947 0.518) 3.561 9.830 ( -2.039 -1.573 -1.305) 2.887 9.944 ( 3.662 1.079 0.910) 3.924 10.337 ( 3.040 9.797 -6.631) 12.214 10.549 ( 7.779 4.983 -4.614) 10.327 10.670 ( -4.004 -14.718 -3.903) 15.744 10.860 ( -16.625 1.432 2.314) 16.846 11.318 ( -2.590 -7.122 10.639) 13.062 11.557 ( 1.287 0.932 -8.147) 8.300 11.752 ( 2.110 -3.990 -3.323) 5.605 11.939 ( -0.737 13.281 -8.600) 15.839 12.037 ( 3.062 -5.319 -1.114) 6.238 12.168 ( 5.583 -4.135 0.103) 6.948 12.753 ( -8.095 -5.971 7.656) 12.641 13.090 ( 8.402 15.749 8.507) 19.774 13.447 ( -4.143 2.668 10.169) 11.300 13.963 ( 2.066 -6.449 -5.441) 8.686 14.680 ( -0.991 6.595 -14.189) 15.678 14.961 ( -0.408 3.875 -0.738) 3.965 15.127 ( -5.639 -18.927 1.528) 19.808 15.815 ( 3.450 -7.104 -1.513) 8.041 16.272 ( 16.366 -8.557 2.941) 18.701 16.566 ( -3.089 7.404 -2.484) 8.399 17.011 ( -6.028 10.550 -7.745) 14.409 17.613 ( 5.413 0.801 3.015) 6.248 17.871 ( -2.893 11.645 12.364) 17.229 18.972 ( -7.416 -8.056 2.882) 11.323 19.165 ( -2.581 3.340 -6.494) 7.745 19.865 ( 6.524 4.534 0.507) 7.961 22.107 ( 0.121 -0.513 -0.562) 0.771 ======================= Grid point 13 (9/90) ======================= q-point: (-0.50 0.12 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( -8.093 -10.690 -7.217) 15.227 1.967 ( -1.747 -6.659 -5.631) 8.894 2.012 ( 1.363 0.740 5.379) 5.598 2.202 ( 4.573 -0.048 7.082) 8.431 2.365 ( 3.849 7.975 -0.221) 8.858 2.789 ( -2.213 0.127 -0.018) 2.216 2.899 ( -3.837 1.772 6.794) 8.001 2.923 ( 0.630 0.042 -4.730) 4.771 3.369 ( -1.851 -4.169 -3.219) 5.583 3.571 ( -10.699 -2.542 -6.860) 12.961 3.673 ( -6.214 2.705 5.373) 8.649 3.796 ( 1.806 2.632 6.295) 7.058 3.887 ( -3.244 -0.624 -7.114) 7.844 4.006 ( 7.227 0.716 8.177) 10.936 4.296 ( 0.909 4.356 8.780) 9.843 4.506 ( 0.970 4.158 -5.801) 7.203 4.802 ( 7.823 -3.869 2.043) 8.963 5.154 ( -0.754 6.295 -1.493) 6.513 5.421 ( -2.422 -4.557 3.631) 6.310 5.709 ( -1.818 -0.502 -0.243) 1.902 5.847 ( 2.515 -0.783 -2.677) 3.756 6.410 ( -0.455 1.479 -0.281) 1.572 7.332 ( 13.837 -5.352 -11.551) 18.803 7.380 ( 0.535 0.317 0.826) 1.034 7.959 ( -7.237 -1.165 5.498) 9.163 8.035 ( -4.341 -8.592 1.791) 9.791 8.731 ( -2.416 -1.458 4.240) 5.093 9.753 ( 0.506 -0.812 -3.668) 3.791 9.785 ( 3.974 1.401 2.467) 4.883 10.077 ( 3.537 -1.592 3.368) 5.137 10.310 ( -4.339 2.553 -1.010) 5.135 10.501 ( 0.938 -3.495 -1.884) 4.079 10.663 ( 7.274 5.806 -4.786) 10.465 10.770 ( -4.045 6.628 2.833) 8.266 11.348 ( -7.734 -1.763 3.311) 8.596 11.503 ( 6.290 -2.276 -2.156) 7.028 11.734 ( 1.421 -2.715 1.091) 3.253 11.923 ( 4.532 10.803 -10.192) 15.528 11.988 ( -0.857 -3.069 -1.544) 3.540 12.205 ( 5.489 -5.004 -1.359) 7.551 12.678 ( -7.374 -9.952 5.187) 13.428 13.342 ( -0.609 7.524 -2.257) 7.879 13.454 ( -10.020 8.321 4.949) 13.933 13.927 ( 8.666 -4.070 -3.506) 10.196 14.503 ( -4.860 -0.971 -2.987) 5.786 15.010 ( -0.177 -16.090 5.380) 16.966 15.082 ( 7.136 13.401 -0.403) 15.188 15.768 ( 5.982 -5.503 -7.307) 10.930 16.294 ( 1.583 -16.380 -1.569) 16.531 16.610 ( 3.507 6.399 -3.830) 8.241 16.957 ( -1.826 9.127 1.206) 9.385 17.699 ( 0.060 1.099 1.998) 2.281 18.070 ( -9.726 14.341 12.020) 21.089 18.853 ( -1.951 -5.462 -1.915) 6.108 19.072 ( 0.427 0.937 -7.180) 7.253 19.973 ( 1.265 -1.306 6.201) 6.462 22.101 ( 0.539 -0.275 -0.435) 0.746 ======================= Grid point 14 (10/90) ======================= q-point: (-0.38 0.12 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( -12.539 -14.519 -16.708) 25.440 1.611 ( -17.482 -5.329 -9.144) 20.436 2.080 ( -6.541 2.052 -10.902) 12.878 2.392 ( 9.114 2.523 8.818) 12.930 2.616 ( 4.269 7.983 9.620) 13.209 2.782 ( 3.290 -1.126 -0.157) 3.480 2.872 ( 0.794 -1.502 0.203) 1.711 3.012 ( -4.646 1.155 11.706) 12.647 3.145 ( -7.846 -4.085 -6.249) 10.830 3.394 ( 0.282 -2.833 -3.402) 4.436 3.667 ( -1.748 0.614 -2.625) 3.213 3.759 ( -1.978 -0.788 -3.765) 4.325 3.941 ( 0.612 0.828 8.118) 8.183 4.162 ( 6.505 0.843 -3.912) 7.637 4.378 ( -6.847 4.631 3.284) 8.894 4.557 ( 4.029 4.455 6.719) 9.012 4.883 ( 2.388 -4.449 4.281) 6.620 5.195 ( 2.514 5.172 -0.092) 5.752 5.350 ( -5.744 -6.635 0.223) 8.779 5.719 ( 1.278 -0.211 -0.672) 1.459 5.820 ( -0.375 1.911 -3.100) 3.661 6.508 ( 6.864 4.833 5.340) 9.950 7.290 ( 10.673 -3.600 -12.000) 16.459 7.410 ( 4.886 -3.369 -1.133) 6.042 7.918 ( -9.840 3.307 5.255) 11.635 7.959 ( -0.739 -9.833 1.133) 9.926 8.689 ( -7.993 0.061 -0.907) 8.044 9.716 ( 1.754 0.001 -4.651) 4.971 9.913 ( 3.151 1.281 5.553) 6.512 10.019 ( -0.903 -1.044 -2.010) 2.439 10.379 ( 0.802 -7.192 8.178) 10.920 10.499 ( 2.406 0.944 2.587) 3.657 10.727 ( 9.106 10.404 -9.289) 16.656 10.911 ( 4.537 11.128 3.775) 12.597 11.235 ( -8.126 5.628 -3.419) 10.459 11.566 ( 8.654 -8.791 1.117) 12.387 11.784 ( -0.137 0.379 5.484) 5.499 11.932 ( 6.941 5.578 -9.778) 13.225 11.959 ( -0.248 3.752 0.061) 3.761 12.186 ( 3.204 -10.705 -1.045) 11.223 12.575 ( -5.261 -12.405 4.273) 14.136 13.129 ( -12.130 1.094 -12.349) 17.345 13.408 ( -19.293 11.544 -1.026) 22.506 13.995 ( 9.237 -1.116 -2.028) 9.523 14.584 ( 14.339 -0.905 6.785) 15.889 14.994 ( -0.298 -9.714 6.162) 11.507 15.300 ( 6.344 12.733 3.924) 14.757 15.690 ( 8.199 -4.317 -11.565) 14.820 16.121 ( -6.024 -9.906 -3.467) 12.101 16.564 ( 2.523 -8.349 -4.472) 9.802 17.133 ( 3.693 14.146 5.121) 15.491 17.669 ( -7.984 -0.310 0.940) 8.045 18.114 ( -16.815 8.273 6.788) 19.932 18.839 ( 4.994 0.908 -0.307) 5.086 18.998 ( 2.921 0.006 -6.892) 7.485 20.057 ( -1.289 -5.424 10.164) 11.593 22.105 ( 0.907 -0.029 -0.194) 0.928 ======================= Grid point 15 (11/90) ======================= q-point: (-0.25 0.12 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -14.359 -14.322 -17.178) 26.577 1.175 ( -22.565 -3.360 -11.634) 25.609 1.727 ( -28.014 1.821 -9.340) 29.587 2.528 ( 1.627 -1.831 4.046) 4.729 2.707 ( -2.408 0.773 -2.341) 3.446 2.836 ( 7.346 0.680 -3.660) 8.235 2.928 ( -0.295 2.657 6.406) 6.941 3.063 ( 2.924 -3.420 7.355) 8.622 3.246 ( 5.025 3.066 13.268) 14.515 3.424 ( 7.213 1.344 0.626) 7.363 3.582 ( 0.813 0.854 -7.111) 7.208 3.719 ( -2.048 -1.231 0.855) 2.537 3.995 ( -1.290 -3.153 -2.829) 4.428 4.132 ( 4.719 2.310 -5.179) 7.378 4.337 ( -7.786 1.208 1.830) 8.089 4.770 ( 4.192 2.162 8.402) 9.635 4.930 ( -0.665 -0.623 4.812) 4.897 5.204 ( -4.328 -3.098 -3.451) 6.343 5.285 ( 3.400 0.377 2.387) 4.172 5.685 ( -1.686 -2.172 -1.288) 3.037 5.774 ( -3.640 2.150 -3.074) 5.227 6.780 ( 11.273 6.970 8.352) 15.665 7.217 ( 12.633 -4.755 -16.123) 21.027 7.421 ( 2.134 -2.339 -0.305) 3.181 7.883 ( -2.325 -4.391 -0.072) 4.969 7.931 ( -6.634 2.222 7.198) 10.038 8.491 ( -12.820 -0.558 -7.029) 14.631 9.679 ( 3.334 -1.167 -3.657) 5.084 9.905 ( -2.896 3.784 -2.770) 5.512 10.186 ( 6.677 -4.649 13.347) 15.631 10.378 ( -0.173 0.398 -0.156) 0.461 10.627 ( 1.790 -2.046 6.264) 6.829 10.778 ( 13.827 5.984 -13.606) 20.301 11.082 ( 2.435 6.087 3.292) 7.336 11.212 ( 2.827 9.222 -0.366) 9.653 11.643 ( 6.598 -2.714 2.585) 7.589 11.837 ( 2.101 -0.247 -0.752) 2.245 11.890 ( 5.284 -1.180 -9.586) 11.009 12.052 ( -0.901 4.891 6.366) 8.078 12.119 ( 0.922 -8.735 1.115) 8.854 12.480 ( -6.015 -12.563 5.294) 14.901 12.787 ( -13.297 3.195 -13.847) 19.461 13.148 ( -22.690 5.972 -4.202) 23.836 14.092 ( 8.350 0.067 -0.164) 8.352 14.930 ( 18.889 0.535 5.661) 19.726 15.034 ( 1.521 -1.653 7.823) 8.139 15.506 ( 4.521 4.045 4.625) 7.628 15.610 ( 9.373 -1.707 -12.464) 15.688 15.927 ( -6.912 -3.086 -4.116) 8.616 16.483 ( 0.763 -10.214 0.690) 10.265 17.289 ( -4.423 12.664 -0.885) 13.443 17.562 ( -5.978 -1.824 1.684) 6.473 17.993 ( -13.971 0.078 1.990) 14.112 18.931 ( 5.812 2.822 -2.555) 6.948 18.974 ( 1.949 1.930 0.076) 2.744 20.153 ( -1.792 -4.855 12.571) 13.594 22.117 ( 0.990 0.071 -0.008) 0.992 ======================= Grid point 16 (12/90) ======================= q-point: (-0.12 0.12 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.462 ( -17.869 -4.681 -2.285) 18.613 0.717 ( -27.116 5.050 -4.543) 27.954 1.201 ( -42.739 -1.292 3.150) 42.875 2.599 ( 1.895 -0.306 3.951) 4.392 2.644 ( -1.091 0.239 -2.395) 2.643 2.891 ( 10.074 1.685 -5.210) 11.466 3.001 ( 0.267 -2.155 2.858) 3.589 3.169 ( 1.890 0.528 2.521) 3.195 3.481 ( 7.911 0.370 -5.644) 9.725 3.536 ( 3.289 -1.219 3.469) 4.933 3.566 ( 2.699 1.801 3.517) 4.785 3.698 ( -0.459 -1.290 0.305) 1.403 3.852 ( -3.434 0.587 -3.055) 4.634 4.189 ( 5.506 -0.557 -0.595) 5.566 4.272 ( -3.948 0.250 0.709) 4.019 4.824 ( -6.125 -0.026 0.551) 6.150 5.007 ( 4.102 0.133 -0.307) 4.116 5.127 ( -1.296 -0.351 0.018) 1.343 5.363 ( 4.510 -0.024 0.442) 4.532 5.633 ( -2.827 1.945 -1.382) 3.699 5.684 ( -5.400 -1.558 -0.008) 5.620 7.004 ( 4.790 -0.099 -0.352) 4.804 7.198 ( 15.692 -0.367 -1.305) 15.750 7.439 ( 0.364 1.782 1.863) 2.603 7.822 ( -1.200 -5.682 -0.023) 5.808 7.951 ( -9.801 4.976 4.715) 11.960 8.226 ( -10.462 -0.608 -4.703) 11.487 9.699 ( 6.158 -0.983 -0.482) 6.255 9.859 ( -0.844 1.272 -3.220) 3.564 10.236 ( -8.875 -0.182 2.050) 9.111 10.510 ( 5.322 -0.001 4.097) 6.716 10.636 ( -1.416 -0.133 -0.758) 1.612 10.871 ( 23.324 0.091 -6.000) 24.083 11.187 ( 4.965 -2.590 0.156) 5.602 11.327 ( 7.557 3.000 -4.308) 9.201 11.732 ( 0.668 2.149 1.078) 2.495 11.789 ( 4.535 -4.134 -4.198) 7.435 11.886 ( 3.663 -0.734 3.429) 5.071 12.056 ( 2.434 3.901 -3.863) 6.005 12.232 ( -8.347 3.824 5.927) 10.928 12.323 ( -13.799 -7.094 10.440) 18.701 12.552 ( -3.634 3.104 -4.557) 6.604 12.832 ( -18.363 -2.081 -5.000) 19.145 14.189 ( 5.860 0.035 0.088) 5.860 15.039 ( -2.466 0.805 2.566) 3.649 15.343 ( 21.330 -0.283 3.995) 21.703 15.571 ( -0.235 0.670 1.461) 1.624 15.574 ( 11.278 1.966 -12.073) 16.638 15.837 ( -3.820 -3.094 5.116) 7.095 16.468 ( -3.818 0.130 5.294) 6.528 17.165 ( -14.185 0.824 -2.626) 14.450 17.559 ( 1.296 2.239 -1.230) 2.864 17.838 ( -5.763 -3.432 -4.519) 8.087 18.961 ( 5.245 0.781 -2.593) 5.903 19.043 ( -0.737 -0.039 3.826) 3.896 20.266 ( -0.173 -0.051 3.900) 3.904 22.129 ( 0.749 0.000 -0.011) 0.749 ======================= Grid point 18 (13/90) ======================= q-point: ( 0.12 0.25 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -14.332 3.341 19.876) 24.731 1.369 ( -4.201 12.686 21.595) 25.396 2.195 ( 0.986 10.101 24.743) 26.744 2.509 ( 1.398 -8.781 -1.899) 9.092 2.711 ( 4.500 1.148 -0.081) 4.645 2.775 ( -2.986 -4.821 -2.982) 6.407 2.832 ( 0.898 -0.372 -8.500) 8.555 2.972 ( -1.728 4.196 -2.830) 5.347 3.017 ( 2.865 0.520 2.383) 3.762 3.536 ( 1.251 -5.125 -4.017) 6.631 3.637 ( 5.660 -1.855 3.975) 7.160 3.852 ( -0.076 -8.147 -3.704) 8.950 3.885 ( -1.501 0.561 7.615) 7.782 4.176 ( -1.466 6.246 -3.982) 7.552 4.391 ( -0.767 5.287 4.286) 6.849 4.469 ( 1.721 -1.080 -12.429) 12.594 4.779 ( 0.654 2.826 -5.195) 5.949 4.971 ( -8.276 3.800 -6.035) 10.925 5.399 ( 2.282 -1.695 4.367) 5.211 5.727 ( -1.781 -2.827 2.853) 4.394 5.885 ( 0.429 4.531 4.780) 6.600 6.773 ( 12.400 -11.958 -10.535) 20.192 7.205 ( -7.723 -5.315 -5.293) 10.767 7.553 ( -4.018 9.173 -6.548) 11.965 7.864 ( 3.579 -12.518 9.178) 15.929 8.137 ( 4.710 -0.564 8.782) 9.981 8.624 ( -0.488 -3.256 10.560) 11.062 9.758 ( -0.245 -2.154 -1.184) 2.470 9.844 ( -6.063 -1.282 -2.410) 6.649 9.976 ( 3.158 6.456 -2.905) 7.752 10.259 ( 1.975 -1.929 -9.221) 9.625 10.493 ( -3.431 -1.432 -4.740) 6.024 10.919 ( 2.665 -2.705 -8.559) 9.364 11.243 ( 10.298 3.590 -1.389) 10.994 11.348 ( 5.356 -2.529 7.481) 9.542 11.562 ( -3.592 -9.143 -4.524) 10.814 11.634 ( -0.340 -2.251 -3.312) 4.019 11.906 ( 0.100 -1.505 -5.257) 5.469 12.127 ( -4.821 9.056 -2.879) 10.655 12.239 ( -6.686 -9.162 1.989) 11.515 12.533 ( 8.742 -1.055 14.642) 17.086 12.906 ( -4.382 9.660 8.976) 13.895 13.285 ( -0.496 11.624 14.614) 18.680 14.102 ( 0.390 -4.056 -4.533) 6.095 14.621 ( -5.237 2.700 -15.071) 16.182 15.002 ( 8.913 -18.478 -7.293) 21.773 15.644 ( 13.678 6.101 0.156) 14.977 15.832 ( -9.946 -9.814 4.377) 14.642 15.964 ( -10.541 -11.741 3.826) 16.236 16.499 ( -3.823 1.810 3.247) 5.332 17.068 ( 4.565 27.264 -13.743) 30.871 17.467 ( -2.702 -1.575 3.562) 4.740 17.809 ( -2.338 6.563 3.866) 7.968 19.032 ( 4.522 -5.224 2.106) 7.223 19.304 ( 12.462 4.683 7.528) 15.294 19.630 ( -15.213 2.998 -8.041) 17.467 22.119 ( 0.094 -0.572 -0.542) 0.793 ======================= Grid point 19 (14/90) ======================= q-point: ( 0.25 0.25 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -3.579 2.176 22.184) 22.576 1.730 ( 0.988 10.250 20.218) 22.690 2.328 ( 1.439 -1.956 -8.481) 8.822 2.363 ( 1.653 -15.031 -5.809) 16.199 2.583 ( -7.710 -4.368 -6.142) 10.782 2.800 ( 2.710 -1.270 -2.435) 3.859 2.944 ( -0.281 5.347 -0.237) 5.359 3.045 ( 3.135 6.217 21.148) 22.264 3.120 ( -2.589 8.816 4.286) 10.138 3.480 ( 4.274 -1.705 1.150) 4.743 3.672 ( 2.519 -11.222 -2.783) 11.833 3.840 ( 4.455 0.684 3.322) 5.599 3.951 ( -3.451 -0.077 6.208) 7.103 4.141 ( -3.206 0.856 -0.470) 3.352 4.299 ( -0.788 -0.349 -11.823) 11.854 4.447 ( -0.373 6.694 -0.759) 6.747 4.679 ( -4.030 0.847 -6.951) 8.079 4.946 ( 4.434 9.002 -2.042) 10.241 5.468 ( -0.871 -2.716 6.583) 7.174 5.729 ( 2.164 -3.457 0.507) 4.109 5.946 ( -3.982 2.851 2.284) 5.404 6.621 ( 2.658 -11.585 -11.397) 16.468 7.044 ( 1.577 -4.604 -6.464) 8.091 7.489 ( -4.028 7.570 -4.069) 9.491 7.937 ( 2.730 -14.130 9.480) 17.233 8.265 ( -0.402 -1.573 5.678) 5.906 8.693 ( -0.839 -7.956 8.316) 11.540 9.673 ( -0.535 -2.315 -1.333) 2.725 9.870 ( -1.238 1.517 7.418) 7.672 9.952 ( -2.662 4.033 -8.181) 9.502 10.190 ( 5.588 3.181 -8.063) 10.313 10.404 ( 0.929 1.350 -2.850) 3.287 10.776 ( -2.141 -4.063 -8.382) 9.558 11.315 ( -3.659 4.053 -4.627) 7.157 11.339 ( -3.306 -9.395 8.080) 12.825 11.482 ( 3.484 -1.489 -8.379) 9.196 11.572 ( 2.630 -6.620 -4.312) 8.327 11.896 ( 6.517 0.578 1.502) 6.712 12.048 ( -5.509 8.061 -8.011) 12.630 12.150 ( -3.450 -8.187 3.972) 9.732 12.811 ( 4.963 -6.056 12.541) 14.785 13.030 ( -3.730 15.037 5.717) 16.514 13.548 ( -2.129 8.024 14.113) 16.373 13.969 ( -2.014 -6.926 -6.974) 10.033 14.460 ( 7.415 8.788 -16.532) 20.137 14.893 ( 5.780 -16.269 -1.715) 17.351 15.559 ( -20.252 -8.521 0.009) 21.972 15.807 ( -3.042 -7.116 -0.515) 7.757 15.902 ( 11.814 -1.806 5.680) 13.233 16.572 ( 2.403 9.606 -1.339) 9.992 17.061 ( 1.652 9.185 -12.090) 15.273 17.528 ( -0.537 6.260 3.759) 7.321 17.924 ( -0.942 5.963 11.379) 12.881 19.060 ( 3.289 -5.236 -0.018) 6.183 19.329 ( -7.235 1.869 -12.555) 14.611 19.656 ( 5.105 6.832 12.912) 15.474 22.104 ( 0.017 -0.766 -0.823) 1.125 ======================= Grid point 20 (15/90) ======================= q-point: ( 0.38 0.25 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 4.989 2.401 20.426) 21.164 2.011 ( 2.502 -11.120 -7.389) 13.584 2.106 ( -0.360 0.829 5.562) 5.635 2.299 ( 0.551 -4.853 -0.863) 4.960 2.360 ( -11.260 0.778 -3.671) 11.869 2.783 ( 2.806 -3.200 -1.738) 4.598 2.983 ( -3.075 3.848 -0.849) 4.999 3.032 ( -6.617 6.590 -2.775) 9.742 3.317 ( 3.926 -4.249 3.521) 6.772 3.649 ( 4.610 -4.237 3.831) 7.340 3.726 ( 6.636 3.624 10.545) 12.976 3.820 ( -6.131 1.261 -2.192) 6.632 4.032 ( -5.909 0.181 -1.146) 6.021 4.064 ( -2.325 -4.289 0.440) 4.898 4.171 ( -0.724 5.574 4.345) 7.105 4.480 ( 1.730 5.306 -5.408) 7.772 4.622 ( 2.890 3.105 1.709) 4.573 5.071 ( 5.973 9.069 -1.323) 10.940 5.507 ( -2.966 -4.506 5.948) 8.030 5.740 ( 4.602 -3.476 -1.690) 6.010 5.870 ( -9.114 -0.702 -1.173) 9.216 6.437 ( 0.769 -4.029 -7.602) 8.639 6.972 ( 9.306 -6.401 -9.057) 14.478 7.451 ( -3.552 5.440 -1.302) 6.626 7.975 ( 1.997 -14.784 6.887) 16.431 8.253 ( -7.245 -4.580 4.310) 9.594 8.759 ( 0.283 -4.664 9.089) 10.220 9.691 ( 2.729 -0.594 2.134) 3.515 9.788 ( -3.708 0.420 -8.465) 9.251 9.999 ( 1.260 -0.423 8.708) 8.809 10.220 ( 7.600 9.336 -7.525) 14.197 10.459 ( 5.966 5.419 -0.988) 8.120 10.591 ( -5.037 -5.443 -5.593) 9.289 11.125 ( -16.800 0.796 -2.018) 16.939 11.306 ( 7.154 -12.112 -3.967) 14.615 11.420 ( 1.652 3.129 -7.104) 7.937 11.603 ( 7.162 -1.879 3.615) 8.240 11.911 ( -2.329 4.460 -8.761) 10.103 11.991 ( 1.454 -2.315 1.945) 3.355 12.139 ( -0.485 1.597 1.501) 2.245 12.843 ( -4.519 -12.158 4.208) 13.636 13.258 ( 3.964 16.426 6.541) 18.119 13.691 ( -8.296 4.634 8.663) 12.858 13.797 ( 1.232 -8.215 -6.649) 10.641 14.452 ( 11.228 10.212 -14.678) 21.114 14.885 ( 6.172 -11.510 3.840) 13.614 15.252 ( -18.123 -7.750 3.645) 20.045 15.691 ( -0.710 -6.037 -5.000) 7.871 16.117 ( 10.236 -0.541 3.419) 10.805 16.632 ( -0.963 9.363 -2.172) 9.660 16.951 ( 0.906 -1.455 -8.010) 8.192 17.636 ( 2.200 5.119 4.082) 6.908 18.176 ( 1.139 12.729 13.050) 18.265 19.031 ( 0.748 -5.931 -1.937) 6.284 19.065 ( -8.802 -0.167 -11.154) 14.210 19.912 ( 2.572 4.417 10.267) 11.468 22.088 ( 0.338 -0.720 -0.908) 1.208 ======================= Grid point 21 (16/90) ======================= q-point: (-0.50 0.25 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -1.733 -16.582 -17.553) 24.209 2.003 ( -7.363 0.351 1.277) 7.481 2.126 ( 1.299 2.382 12.267) 12.563 2.159 ( -2.838 -5.925 -2.174) 6.920 2.509 ( 3.237 10.946 12.490) 16.920 2.794 ( 4.462 -4.565 -0.033) 6.384 2.855 ( -6.696 5.047 -4.632) 9.579 3.060 ( -1.382 1.036 3.118) 3.564 3.300 ( 1.543 -4.387 -3.033) 5.552 3.637 ( -13.570 0.109 -4.080) 14.170 3.727 ( 1.288 -3.340 -5.542) 6.598 3.824 ( -0.203 3.595 0.457) 3.630 3.908 ( -5.141 -1.469 4.714) 7.128 4.038 ( 2.095 -4.468 -0.658) 4.979 4.431 ( 5.127 6.831 9.242) 12.584 4.484 ( -0.791 7.273 2.438) 7.712 4.752 ( 5.322 -0.526 4.361) 6.901 5.163 ( 1.827 7.934 -2.283) 8.455 5.475 ( -4.025 -6.116 1.587) 7.492 5.719 ( -0.747 -3.590 -1.384) 3.919 5.784 ( 0.153 1.566 -0.046) 1.574 6.389 ( 4.184 1.537 -2.741) 5.232 6.925 ( 12.092 -7.422 -10.685) 17.762 7.440 ( -2.970 3.948 0.613) 4.978 7.956 ( 0.973 -14.949 4.092) 15.529 8.176 ( -9.077 -1.406 4.475) 10.217 8.847 ( -3.779 -1.837 8.247) 9.255 9.668 ( 1.026 0.070 -6.045) 6.132 9.777 ( 4.284 0.157 3.429) 5.489 10.060 ( 0.491 -0.038 -2.981) 3.021 10.309 ( 6.168 2.535 0.305) 6.676 10.443 ( -1.232 -5.616 -0.946) 5.827 10.580 ( 5.112 9.056 -2.626) 10.726 10.947 ( -8.903 4.724 -0.103) 10.079 11.266 ( 10.523 -4.997 -8.779) 14.587 11.362 ( 1.363 -0.759 -4.682) 4.935 11.758 ( 2.656 -0.725 7.602) 8.085 11.824 ( 0.748 4.963 -6.415) 8.145 11.999 ( -1.619 -1.608 4.114) 4.704 12.159 ( -0.631 1.253 -0.305) 1.436 12.699 ( -4.843 -13.041 -0.864) 13.938 13.379 ( -5.751 5.216 -4.870) 9.165 13.711 ( 7.383 1.412 -3.114) 8.137 13.772 ( -6.026 5.891 7.965) 11.595 14.409 ( 3.443 -1.307 -10.017) 10.672 14.948 ( 3.805 -8.023 5.970) 10.700 15.184 ( -2.215 2.398 9.013) 9.586 15.564 ( 1.218 -2.098 -9.094) 9.412 16.216 ( 2.302 -9.510 4.292) 10.685 16.566 ( -5.193 6.324 -10.155) 13.042 16.960 ( 8.264 1.930 1.472) 8.613 17.751 ( 1.240 3.560 3.408) 5.082 18.446 ( -3.637 15.932 9.243) 18.775 18.808 ( -6.323 -6.852 -5.621) 10.887 18.951 ( 1.180 -2.393 -6.089) 6.648 20.078 ( -0.630 0.724 9.681) 9.729 22.080 ( 0.891 -0.456 -0.717) 1.231 ======================= Grid point 22 (17/90) ======================= q-point: (-0.38 0.25 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -8.425 -12.706 -15.143) 21.488 1.729 ( -19.647 0.572 -6.127) 20.588 2.047 ( -2.895 -1.892 -2.691) 4.382 2.468 ( 6.791 5.007 12.746) 15.286 2.745 ( -0.311 2.106 -2.067) 2.967 2.768 ( -0.079 5.576 5.821) 8.061 2.876 ( 2.412 -5.284 7.232) 9.276 3.051 ( 3.905 -1.721 -4.977) 6.556 3.292 ( -6.393 1.907 7.246) 9.849 3.388 ( -11.921 -1.758 -1.000) 12.091 3.586 ( -2.006 -0.796 -7.757) 8.051 3.793 ( -3.929 -1.115 -0.276) 4.093 3.955 ( 7.823 -1.516 -9.886) 12.698 4.028 ( 0.628 -0.224 4.140) 4.194 4.525 ( -4.780 4.273 2.153) 6.763 4.639 ( 3.269 2.173 6.719) 7.782 4.862 ( 5.378 -2.508 3.664) 6.974 5.201 ( 0.419 7.753 -1.644) 7.936 5.363 ( -4.639 -7.105 -1.670) 8.648 5.699 ( 0.629 -1.110 -0.085) 1.279 5.816 ( -0.023 2.518 0.496) 2.566 6.506 ( 10.690 4.586 2.719) 11.946 6.873 ( 11.349 -6.991 -10.951) 17.251 7.447 ( -2.618 3.307 1.686) 4.543 7.903 ( 0.082 -13.534 2.892) 13.840 8.144 ( -8.098 4.102 5.982) 10.871 8.802 ( -10.829 -0.297 -1.245) 10.904 9.620 ( 1.901 -1.033 -3.939) 4.494 9.920 ( 9.258 -1.856 6.158) 11.272 9.981 ( -2.225 4.345 -6.128) 7.835 10.410 ( 1.702 -7.339 6.102) 9.695 10.420 ( 8.391 -1.592 -4.380) 9.599 10.629 ( 1.814 4.327 -2.826) 5.477 10.979 ( 3.400 10.340 -0.725) 10.909 11.213 ( -0.523 1.775 -7.945) 8.157 11.378 ( 11.543 -3.113 -1.803) 12.090 11.757 ( -0.469 6.138 -5.408) 8.194 11.861 ( 0.641 -3.940 2.476) 4.697 12.099 ( 0.704 -6.337 10.832) 12.569 12.148 ( -3.709 5.680 4.100) 7.926 12.541 ( -1.266 -11.319 -1.709) 11.517 13.155 ( -13.470 3.822 -10.270) 17.365 13.725 ( -19.533 3.426 -1.633) 19.898 13.811 ( 12.247 -0.408 -1.554) 12.352 14.436 ( 15.391 -1.511 1.915) 15.583 15.042 ( 1.087 0.100 7.464) 7.543 15.327 ( 4.466 -1.143 -0.485) 4.636 15.492 ( 2.685 4.234 -0.474) 5.036 16.156 ( -8.258 -11.818 4.283) 15.040 16.416 ( 1.854 1.336 -9.142) 9.423 17.143 ( 10.008 7.273 -0.041) 12.372 17.788 ( -4.925 1.309 2.193) 5.548 18.389 ( -15.663 -1.561 -3.523) 16.131 18.765 ( 5.349 1.212 -3.347) 6.425 18.929 ( 2.143 3.052 2.794) 4.659 20.190 ( -1.515 -1.143 9.275) 9.467 22.085 ( 1.339 -0.158 -0.356) 1.395 ======================= Grid point 23 (18/90) ======================= q-point: (-0.25 0.25 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -14.581 -1.810 -3.822) 15.182 1.382 ( -23.878 4.818 -4.329) 24.741 1.964 ( -10.777 -2.567 3.166) 11.522 2.650 ( -4.435 4.225 7.366) 9.580 2.688 ( -6.060 -2.435 -7.315) 9.806 2.720 ( 2.588 0.254 -3.814) 4.616 2.988 ( 2.679 -7.863 8.057) 11.573 3.108 ( 4.509 6.427 -1.112) 7.929 3.265 ( -0.313 -0.993 3.378) 3.535 3.454 ( 2.229 -0.446 6.144) 6.550 3.490 ( 1.460 2.975 -2.292) 4.029 3.722 ( -0.433 -5.599 -2.862) 6.303 3.873 ( 2.195 3.917 -8.014) 9.186 4.093 ( 1.648 -0.589 1.910) 2.590 4.452 ( -7.651 -0.755 -0.900) 7.741 4.771 ( 6.083 -0.297 0.566) 6.116 4.945 ( 3.689 -0.386 0.727) 3.780 5.209 ( -3.792 -0.697 -0.606) 3.902 5.281 ( 0.511 1.930 0.612) 2.088 5.687 ( -0.757 -0.227 -0.755) 1.093 5.804 ( -3.462 0.764 -0.670) 3.608 6.747 ( 17.725 -2.092 -6.048) 18.845 6.857 ( 6.384 2.255 3.887) 7.807 7.471 ( -2.402 4.172 2.601) 5.472 7.841 ( -0.237 -11.241 1.822) 11.390 8.191 ( -7.782 8.431 8.121) 14.057 8.544 ( -13.707 -1.654 -9.841) 16.955 9.597 ( 1.855 -1.873 -0.758) 2.743 9.898 ( -1.936 4.535 -6.165) 7.894 10.192 ( 15.517 -1.270 10.631) 18.852 10.400 ( 3.279 -1.388 -2.185) 4.178 10.454 ( 2.943 -2.282 -5.482) 6.628 10.668 ( 2.588 -1.365 1.811) 3.441 11.077 ( 6.766 6.953 -7.051) 11.994 11.112 ( 1.289 -3.542 -4.025) 5.515 11.515 ( 12.524 -0.487 0.198) 12.535 11.749 ( -0.169 5.912 -1.251) 6.045 11.848 ( -0.568 -1.768 0.043) 1.857 12.082 ( -2.143 -7.015 2.893) 7.885 12.352 ( -3.396 9.267 15.034) 17.984 12.479 ( 1.348 -9.103 3.861) 9.980 12.855 ( -16.082 6.712 -9.989) 20.086 13.368 ( -21.777 -6.854 -5.827) 23.562 13.962 ( 11.304 0.677 0.332) 11.329 14.734 ( 20.637 2.255 3.535) 21.059 15.167 ( -3.249 2.796 8.126) 9.187 15.270 ( 9.031 2.374 -13.333) 16.278 15.616 ( -0.795 -2.204 7.675) 8.024 16.005 ( -9.377 -5.474 3.656) 11.457 16.416 ( 6.640 2.077 -0.811) 7.004 17.268 ( 6.489 5.064 -5.581) 9.945 17.711 ( -10.756 0.760 1.634) 10.906 18.088 ( -13.099 -8.646 -5.862) 16.754 18.787 ( 7.159 1.434 -4.413) 8.532 19.053 ( 0.325 2.449 5.874) 6.372 20.276 ( -0.651 -0.281 5.124) 5.173 22.100 ( 1.394 0.002 -0.066) 1.396 ======================= Grid point 24 (19/90) ======================= q-point: (-0.12 0.25 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -12.839 15.788 16.550) 26.230 1.134 ( -22.404 9.637 6.645) 25.278 1.766 ( -27.733 -5.397 11.888) 30.653 2.578 ( 3.576 0.803 -5.348) 6.483 2.686 ( -1.473 0.617 1.021) 1.896 2.732 ( 3.331 1.958 0.700) 3.926 2.992 ( -1.152 -5.277 -0.385) 5.415 3.139 ( 3.325 1.183 -5.837) 6.821 3.249 ( 1.983 -3.888 -10.186) 11.081 3.469 ( 2.474 -0.946 -0.178) 2.655 3.594 ( 1.896 -3.424 3.929) 5.545 3.694 ( 2.620 -0.091 2.948) 3.945 3.910 ( 2.769 8.184 0.759) 8.673 4.135 ( 2.671 -1.184 2.630) 3.931 4.324 ( -5.963 -1.621 -3.049) 6.891 4.771 ( 4.249 -2.716 -8.688) 10.045 4.934 ( -1.966 1.025 -4.058) 4.624 5.202 ( -1.576 0.438 4.498) 4.786 5.309 ( 0.432 1.546 -1.992) 2.558 5.677 ( -0.704 3.622 0.343) 3.706 5.750 ( -4.012 -1.752 1.957) 4.795 6.760 ( 12.947 -6.100 -7.914) 16.354 7.174 ( 11.811 4.189 12.116) 17.431 7.529 ( -1.284 6.758 3.563) 7.747 7.784 ( -0.032 -8.346 1.099) 8.418 8.160 ( -14.591 -3.198 -3.772) 15.407 8.330 ( -5.100 8.969 4.167) 11.127 9.645 ( 4.890 0.200 3.114) 5.801 9.829 ( -1.473 3.628 -4.491) 5.959 10.327 ( -3.528 -1.247 -9.550) 10.256 10.427 ( 3.983 -3.487 0.692) 5.338 10.580 ( 20.587 0.925 10.513) 23.134 10.654 ( -2.599 -0.683 -1.795) 3.232 11.022 ( 4.526 2.065 -12.417) 13.376 11.114 ( 9.008 -7.515 -2.152) 11.927 11.706 ( 8.776 2.325 4.475) 10.122 11.771 ( -0.757 0.480 -0.120) 0.905 11.881 ( 6.096 1.624 2.943) 6.961 12.044 ( -3.231 -2.828 0.740) 4.358 12.396 ( -11.370 -0.430 -3.189) 11.817 12.562 ( -2.348 1.690 4.419) 5.281 12.716 ( -7.539 11.705 13.317) 19.266 12.960 ( -19.493 -9.573 -3.244) 21.957 14.096 ( 7.902 0.034 -0.237) 7.906 15.037 ( 16.359 -1.971 1.668) 16.562 15.131 ( 0.580 -4.455 -4.576) 6.413 15.292 ( 7.663 5.590 -10.354) 14.042 15.662 ( -0.131 4.955 5.129) 7.133 15.992 ( -5.484 -5.858 13.155) 15.409 16.565 ( 5.095 9.098 2.506) 10.724 17.194 ( -4.318 -7.641 -5.847) 10.546 17.624 ( -7.077 4.592 0.955) 8.490 17.793 ( -8.693 -2.288 -8.793) 12.575 18.859 ( 7.571 0.522 -0.512) 7.606 19.101 ( -2.161 -4.244 4.179) 6.336 20.248 ( -3.819 -0.107 -7.548) 8.460 22.116 ( 1.039 -0.047 -0.017) 1.041 ======================= Grid point 26 (20/90) ======================= q-point: ( 0.12 0.38 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( -13.933 4.279 16.944) 22.350 1.806 ( -7.066 9.658 18.723) 22.221 2.207 ( 7.249 -6.432 -6.107) 11.455 2.291 ( 4.258 -10.826 -12.761) 17.268 2.619 ( 10.691 3.147 -5.802) 12.565 2.733 ( -2.813 -3.359 -0.079) 4.382 2.821 ( 3.963 0.679 5.023) 6.434 3.035 ( 1.431 1.850 1.452) 2.753 3.267 ( -8.413 10.700 20.994) 25.020 3.441 ( -1.248 -4.766 -2.951) 5.743 3.601 ( 0.821 -4.949 -0.245) 5.023 3.750 ( 1.646 0.130 -1.508) 2.236 4.013 ( 2.493 -0.322 5.845) 6.362 4.144 ( 3.586 0.365 -7.113) 7.974 4.197 ( 4.098 0.876 -7.003) 8.161 4.486 ( -2.989 4.470 -2.367) 5.875 4.806 ( -4.955 1.023 0.377) 5.073 5.021 ( -6.467 3.921 -4.586) 8.844 5.438 ( 2.507 -0.793 6.391) 6.911 5.723 ( -0.373 -3.792 -2.004) 4.305 5.938 ( 3.656 2.703 2.066) 4.994 6.453 ( 5.030 -6.384 -7.065) 10.769 7.201 ( -8.890 -5.123 -5.446) 11.616 7.599 ( -4.402 11.653 -6.352) 13.983 7.830 ( 4.920 -15.670 9.192) 18.821 8.169 ( 6.569 -2.532 8.693) 11.186 8.699 ( 0.311 -3.148 3.934) 5.048 9.721 ( -2.604 -2.252 -2.177) 4.073 9.858 ( 2.924 1.873 -3.501) 4.931 10.023 ( -3.942 5.528 3.427) 7.606 10.180 ( -3.777 -0.437 -2.779) 4.709 10.448 ( -2.824 -6.256 -3.063) 7.516 10.780 ( 0.445 3.739 -8.538) 9.332 10.984 ( 16.838 2.593 -7.695) 18.694 11.326 ( 4.382 -11.201 4.260) 12.760 11.526 ( -2.981 1.767 -4.027) 5.313 11.661 ( -3.838 -1.782 4.131) 5.914 11.837 ( -2.725 1.648 -7.111) 7.791 12.151 ( 0.356 1.935 -3.208) 3.764 12.296 ( -6.043 3.076 -1.222) 6.890 12.620 ( 6.783 -9.603 16.774) 20.484 13.151 ( -5.447 10.871 3.964) 12.789 13.496 ( 5.429 9.422 6.425) 12.630 14.014 ( -1.444 -3.552 -4.318) 5.775 14.487 ( -4.006 -6.127 -10.642) 12.917 14.755 ( -0.060 -9.074 -2.005) 9.293 15.520 ( 15.628 8.013 1.480) 17.625 15.874 ( -1.972 -6.727 0.949) 7.074 16.135 ( -18.578 -12.859 5.328) 23.214 16.593 ( -6.048 -0.647 -1.929) 6.381 16.933 ( 8.165 14.460 -11.106) 19.977 17.615 ( -4.543 5.997 5.378) 9.248 17.903 ( 3.006 6.362 2.763) 7.559 18.921 ( 4.686 -5.464 -2.822) 7.731 19.241 ( 7.438 2.629 0.807) 7.930 19.813 ( -9.488 2.519 5.208) 11.112 22.106 ( -0.133 -0.531 -0.605) 0.816 ======================= Grid point 27 (21/90) ======================= q-point: ( 0.25 0.38 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( -8.315 2.371 17.501) 19.521 1.959 ( 1.255 -12.438 -9.634) 15.782 2.112 ( -0.259 0.706 8.125) 8.160 2.205 ( 6.217 -0.931 -0.579) 6.313 2.588 ( -1.930 1.016 -5.791) 6.188 2.702 ( 1.298 -3.639 -0.353) 3.879 2.968 ( 3.689 4.779 3.068) 6.772 3.124 ( 2.590 2.477 2.550) 4.398 3.285 ( -2.449 -2.774 -6.652) 7.612 3.492 ( 0.066 -4.249 2.953) 5.175 3.686 ( 1.448 5.710 14.068) 15.251 3.830 ( 4.445 0.221 5.901) 7.391 3.988 ( 1.855 0.784 -8.120) 8.366 4.101 ( -0.721 -2.802 -2.444) 3.787 4.253 ( 1.477 2.120 7.415) 7.852 4.433 ( -0.071 3.867 -5.448) 6.682 4.731 ( -7.564 1.788 -0.855) 7.819 4.992 ( -1.431 10.142 0.262) 10.246 5.544 ( 0.608 -2.622 6.757) 7.274 5.649 ( 1.420 -4.830 -3.901) 6.369 6.012 ( 1.640 2.470 0.013) 2.965 6.337 ( 2.408 -8.109 -8.474) 11.973 6.964 ( -6.991 -4.994 -7.094) 11.142 7.553 ( -4.174 9.721 -3.867) 11.264 7.885 ( 4.646 -17.485 7.447) 19.565 8.332 ( 1.744 -4.561 8.997) 10.237 8.727 ( 1.788 -5.682 5.116) 7.853 9.665 ( -0.878 -1.954 0.296) 2.162 9.867 ( 1.452 3.580 -5.346) 6.596 10.008 ( -3.409 -3.028 3.132) 5.532 10.134 ( -2.313 6.000 -3.082) 7.131 10.379 ( 0.088 1.824 0.196) 1.837 10.674 ( -1.756 2.254 -8.509) 8.976 11.003 ( 11.712 -5.834 -12.497) 18.093 11.373 ( 4.195 -6.378 4.073) 8.652 11.427 ( -1.287 1.533 -5.765) 6.102 11.604 ( -9.666 -2.730 -0.024) 10.045 11.840 ( 5.490 2.536 1.576) 6.250 12.068 ( -6.417 8.238 -8.309) 13.345 12.219 ( -5.412 -3.728 4.058) 7.724 12.850 ( 4.843 -10.940 10.971) 16.233 13.206 ( -0.085 9.744 0.883) 9.784 13.739 ( 6.433 9.944 4.161) 12.553 13.861 ( -3.288 -7.148 -5.108) 9.380 14.273 ( -3.437 2.689 -9.806) 10.733 14.738 ( 4.269 -9.185 4.687) 11.161 15.685 ( -2.332 -0.747 -4.078) 4.757 15.796 ( -5.533 -0.839 -4.273) 7.041 15.900 ( -4.876 -10.151 10.596) 15.463 16.559 ( 4.281 8.393 -6.051) 11.197 16.937 ( 0.832 0.298 -5.108) 5.184 17.679 ( -4.706 9.236 3.083) 10.814 18.080 ( 5.653 4.852 9.688) 12.221 18.893 ( 6.698 -0.765 -8.839) 11.117 19.251 ( -1.546 -3.125 -4.175) 5.439 19.914 ( -3.500 6.139 13.907) 15.599 22.087 ( -0.279 -0.752 -0.941) 1.237 ======================= Grid point 28 (22/90) ======================= q-point: ( 0.38 0.38 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 2.337 -17.517 -18.028) 25.245 1.935 ( 1.073 1.583 13.394) 13.530 2.227 ( -0.342 -1.694 6.509) 6.734 2.361 ( -3.487 2.107 8.011) 8.988 2.496 ( -3.725 6.268 1.365) 7.418 2.692 ( 1.625 -2.761 0.408) 3.230 3.009 ( -3.307 2.254 -3.354) 5.222 3.123 ( -0.911 -1.834 -4.108) 4.590 3.201 ( 1.431 2.772 -1.737) 3.570 3.533 ( 8.079 -5.623 1.299) 9.929 3.808 ( 1.614 0.585 -2.888) 3.360 3.837 ( -0.762 -3.867 -3.947) 5.578 3.956 ( 1.497 -0.004 -2.970) 3.326 4.167 ( -6.312 0.939 11.636) 13.271 4.374 ( 1.841 -0.384 5.272) 5.597 4.454 ( 1.209 9.408 4.601) 10.542 4.685 ( -2.110 5.726 1.287) 6.237 5.096 ( 1.816 10.122 1.774) 10.435 5.531 ( -0.607 -4.650 -3.075) 5.608 5.648 ( 3.224 -4.973 2.786) 6.549 5.973 ( -8.828 0.367 -1.267) 8.926 6.216 ( 7.459 -5.576 -8.160) 12.382 6.780 ( -1.123 -3.784 -6.773) 7.839 7.529 ( -3.769 7.552 -1.522) 8.577 7.894 ( 3.753 -17.032 4.864) 18.106 8.362 ( -4.868 -4.797 4.692) 8.290 8.853 ( 3.569 -3.860 12.247) 13.328 9.665 ( 1.263 -0.487 -2.248) 2.624 9.748 ( -3.733 1.469 -4.816) 6.268 10.053 ( 0.137 -6.575 2.973) 7.217 10.133 ( 4.645 7.691 -2.677) 9.376 10.440 ( 2.176 5.914 -0.351) 6.311 10.550 ( -2.823 1.401 -5.970) 6.751 10.944 ( 11.311 -5.682 -9.808) 16.013 11.199 ( -8.337 -0.810 -8.248) 11.755 11.479 ( -6.341 1.074 0.646) 6.464 11.586 ( 7.384 -3.165 8.325) 11.570 11.851 ( -1.858 0.880 -5.194) 5.586 12.002 ( 0.107 3.067 0.710) 3.150 12.216 ( -3.111 3.830 2.076) 5.353 12.812 ( -3.113 -13.165 -2.266) 13.716 13.364 ( 5.479 8.269 3.566) 10.541 13.642 ( -1.826 -6.142 -7.197) 9.636 13.931 ( -4.903 3.021 7.379) 9.360 14.208 ( 8.897 6.882 -9.318) 14.606 14.836 ( 3.854 -5.026 8.535) 10.628 15.478 ( -15.712 -6.001 2.231) 16.966 15.598 ( -3.645 -5.740 -6.606) 9.480 16.060 ( 7.042 7.713 0.520) 10.457 16.641 ( 7.081 5.609 -1.399) 9.141 16.827 ( -3.417 -6.929 -3.556) 8.505 17.730 ( -1.899 5.220 3.513) 6.572 18.364 ( 6.902 9.350 10.257) 15.501 18.832 ( 4.990 3.414 -12.255) 13.665 19.093 ( -8.077 -9.451 -1.724) 12.551 20.104 ( -1.692 4.982 10.881) 12.087 22.066 ( 0.066 -0.705 -0.961) 1.194 ======================= Grid point 29 (23/90) ======================= q-point: (-0.50 0.38 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 2.083 -12.673 -13.931) 18.948 2.062 ( -1.273 0.570 -1.642) 2.154 2.233 ( -13.295 -1.143 0.190) 13.346 2.357 ( -1.791 4.459 15.838) 16.551 2.650 ( 7.897 -0.808 1.011) 8.002 2.759 ( -0.764 4.199 9.453) 10.372 2.914 ( -3.154 0.174 -2.619) 4.103 3.006 ( 0.261 -3.007 -7.960) 8.513 3.257 ( 1.283 2.784 2.631) 4.040 3.576 ( 3.836 -2.183 -4.261) 6.135 3.685 ( 2.214 -8.147 -7.016) 10.977 3.815 ( -1.582 2.996 -1.318) 3.636 3.969 ( 1.144 3.308 0.982) 3.636 4.076 ( -14.442 -4.512 1.676) 15.223 4.482 ( 4.797 2.255 3.536) 6.372 4.663 ( -0.687 6.481 8.370) 10.608 4.751 ( 2.021 1.745 1.870) 3.260 5.203 ( 0.074 8.392 1.239) 8.483 5.431 ( -0.270 -5.585 -4.856) 7.406 5.666 ( 1.503 -4.344 0.672) 4.645 5.864 ( -5.859 1.461 2.214) 6.432 6.216 ( 11.085 -1.338 -6.185) 12.764 6.692 ( 2.713 -2.673 -4.081) 5.582 7.526 ( -3.244 6.092 0.266) 6.907 7.870 ( 2.501 -14.533 3.019) 15.052 8.322 ( -5.373 -0.224 3.390) 6.357 9.008 ( -3.477 -1.912 8.882) 9.728 9.578 ( 0.256 1.218 -5.924) 6.054 9.774 ( 2.848 -0.106 2.747) 3.958 9.987 ( 0.660 1.127 -5.989) 6.130 10.229 ( 5.682 -3.442 0.820) 6.693 10.422 ( -2.424 -5.859 0.592) 6.369 10.532 ( 4.670 8.043 -5.466) 10.788 10.925 ( 6.147 1.260 -9.807) 11.642 11.067 ( 0.729 -0.676 1.373) 1.695 11.405 ( -8.635 4.767 -0.353) 9.870 11.761 ( 7.525 -4.578 5.098) 10.177 11.786 ( -0.655 2.559 -3.398) 4.304 12.062 ( 1.581 -2.902 5.153) 6.122 12.243 ( -3.466 8.275 3.544) 9.646 12.600 ( -3.050 -11.783 -6.767) 13.926 13.423 ( -5.155 2.270 -4.074) 6.951 13.565 ( 4.820 -0.701 -1.566) 5.116 13.998 ( -1.305 4.694 6.946) 8.484 14.207 ( 2.974 -2.160 -8.340) 9.114 14.976 ( 2.959 0.107 7.484) 8.049 15.359 ( -7.021 -1.764 4.112) 8.325 15.454 ( 0.105 -0.909 -3.384) 3.505 16.159 ( 4.610 -0.353 -0.647) 4.669 16.586 ( -11.367 -0.294 -5.313) 12.551 16.848 ( 12.372 0.935 0.919) 12.441 17.803 ( 1.184 1.986 3.167) 3.921 18.607 ( 2.470 9.171 0.145) 9.499 18.744 ( -1.464 -0.059 -5.772) 5.955 18.905 ( -4.285 -6.886 1.157) 8.193 20.232 ( -1.687 1.946 7.300) 7.741 22.056 ( 0.733 -0.384 -0.615) 1.031 ======================= Grid point 30 (24/90) ======================= q-point: (-0.38 0.38 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -2.772 -0.758 -3.635) 4.634 1.907 ( -14.270 4.503 -5.532) 15.953 2.094 ( -7.966 -1.074 2.680) 8.473 2.627 ( 2.396 6.075 11.730) 13.425 2.677 ( 3.075 -3.725 -2.656) 5.512 2.798 ( 1.061 -7.792 -7.266) 10.707 2.910 ( 1.900 -1.353 4.340) 4.927 2.986 ( 0.845 6.333 3.243) 7.165 3.347 ( 3.698 0.390 3.631) 5.197 3.485 ( -2.951 -2.334 -4.679) 6.005 3.587 ( -0.266 -3.997 -2.860) 4.922 3.796 ( -2.971 4.066 -1.850) 5.365 3.852 ( -13.007 -3.453 -0.412) 13.463 4.044 ( 2.228 3.591 1.363) 4.441 4.595 ( 2.834 2.079 0.191) 3.520 4.662 ( -3.032 -3.777 -1.709) 5.136 4.824 ( 3.781 -0.335 1.352) 4.030 5.266 ( -1.220 5.358 0.707) 5.540 5.317 ( -1.451 -4.051 -2.257) 4.858 5.670 ( 1.607 -1.160 -0.620) 2.077 5.872 ( -2.619 2.517 1.897) 4.098 6.316 ( 15.021 -0.617 -3.567) 15.451 6.707 ( 4.609 0.810 1.670) 4.968 7.543 ( -2.817 5.498 1.638) 6.391 7.828 ( 1.252 -11.323 1.476) 11.487 8.338 ( -3.627 5.490 4.646) 8.054 8.900 ( -12.681 0.317 -7.462) 14.717 9.572 ( 1.173 -1.529 1.704) 2.572 9.835 ( 6.337 0.907 -1.526) 6.581 9.979 ( 0.635 5.942 -1.837) 6.252 10.242 ( 5.509 -7.330 -1.730) 9.331 10.405 ( 1.963 -7.520 5.824) 9.712 10.582 ( 3.844 3.283 -1.909) 5.404 10.878 ( 5.533 3.171 -9.580) 11.508 11.185 ( 5.362 0.332 5.876) 7.962 11.312 ( -6.466 5.106 -3.297) 8.874 11.756 ( 0.339 2.605 -3.604) 4.460 11.844 ( 1.977 -2.011 1.643) 3.263 12.096 ( 1.450 -10.043 5.098) 11.356 12.395 ( 0.355 6.185 4.442) 7.623 12.444 ( -0.653 -1.204 3.859) 4.095 13.238 ( -12.830 2.508 -6.385) 14.548 13.662 ( 10.086 1.690 0.457) 10.237 13.885 ( -16.669 -6.881 -5.502) 18.855 14.277 ( 14.238 1.923 3.269) 14.735 15.081 ( 4.381 3.276 -4.620) 7.160 15.288 ( -4.458 2.258 2.352) 5.523 15.578 ( 3.866 -0.565 11.716) 12.350 16.188 ( 4.322 -10.239 3.760) 11.733 16.347 ( -11.674 4.998 -8.382) 15.216 17.022 ( 11.399 5.125 -3.002) 12.854 17.857 ( -0.125 -1.145 2.517) 2.768 18.449 ( -12.749 -5.793 -7.861) 16.059 18.663 ( 1.335 -1.546 -2.819) 3.481 19.009 ( 3.245 5.842 6.230) 9.136 20.296 ( -0.755 -0.384 3.365) 3.470 22.063 ( 1.287 0.006 -0.096) 1.291 ======================= Grid point 31 (25/90) ======================= q-point: (-0.25 0.38 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -8.230 13.694 10.997) 19.396 1.683 ( -18.654 6.967 -0.257) 19.914 2.087 ( -2.620 -0.633 6.208) 6.768 2.563 ( -2.727 -6.411 -11.285) 13.262 2.628 ( 2.856 -3.568 -5.155) 6.889 2.837 ( 0.457 3.647 5.131) 6.312 2.987 ( 2.672 -6.995 4.873) 8.935 3.026 ( 0.334 4.332 -5.712) 7.176 3.327 ( -4.336 -4.011 -2.607) 6.457 3.466 ( 0.589 -2.219 2.026) 3.062 3.573 ( 0.158 3.691 3.679) 5.214 3.666 ( -8.460 -3.552 3.831) 9.943 3.835 ( 2.429 6.534 -1.499) 7.130 4.105 ( 0.164 3.327 1.789) 3.780 4.473 ( -5.479 -3.497 -6.974) 9.533 4.640 ( 5.373 -3.881 -5.984) 8.930 4.884 ( 4.687 0.169 -0.271) 4.697 5.201 ( -0.134 -6.009 -1.058) 6.103 5.371 ( -2.322 8.257 3.594) 9.299 5.658 ( 1.326 -0.925 -2.100) 2.650 5.856 ( -3.855 1.198 0.201) 4.042 6.434 ( 12.282 -3.258 -3.945) 13.305 6.897 ( 9.318 5.687 8.471) 13.818 7.582 ( -2.216 5.546 2.890) 6.635 7.777 ( 0.369 -7.961 0.189) 7.972 8.419 ( -1.662 8.332 2.010) 8.730 8.570 ( -15.852 -0.171 -9.272) 18.366 9.590 ( -0.188 -1.497 2.821) 3.199 9.891 ( -1.786 9.947 -4.833) 11.202 10.033 ( 12.292 -1.305 -2.245) 12.563 10.281 ( 6.230 -6.984 4.668) 10.459 10.473 ( 1.686 -2.673 4.673) 5.642 10.628 ( 2.146 -1.693 0.998) 2.910 10.838 ( 7.898 -1.310 -9.002) 12.047 11.140 ( -9.456 4.370 -4.281) 11.263 11.434 ( 10.490 -0.266 8.263) 13.356 11.738 ( 2.165 1.545 -3.261) 4.208 11.842 ( -0.666 0.473 -1.131) 1.395 12.108 ( -0.580 -9.121 5.394) 10.612 12.421 ( 4.853 -0.499 1.054) 4.991 12.657 ( -2.261 10.832 9.032) 14.283 13.005 ( -13.507 3.300 -1.756) 14.015 13.496 ( -20.554 -11.180 -3.438) 23.649 13.840 ( 10.813 3.249 1.598) 11.403 14.539 ( 17.615 0.702 2.070) 17.751 15.001 ( 5.150 1.920 -14.229) 15.254 15.366 ( -4.982 4.224 8.035) 10.355 15.716 ( -2.237 -4.836 6.980) 8.781 16.178 ( -9.603 -5.748 9.306) 14.555 16.295 ( 12.914 10.024 -5.049) 17.109 17.109 ( 7.647 1.281 -6.201) 9.928 17.842 ( -4.846 -1.886 1.920) 5.544 18.106 ( -14.265 -7.721 -7.607) 17.916 18.679 ( 4.636 0.932 -0.192) 4.732 19.136 ( -0.001 1.258 4.390) 4.567 20.289 ( -0.060 -1.599 -3.297) 3.664 22.083 ( 1.373 0.200 0.251) 1.410 ======================= Grid point 32 (26/90) ======================= q-point: (-0.12 0.38 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -10.095 20.630 16.588) 28.331 1.566 ( -16.428 7.536 9.578) 20.455 2.130 ( -10.425 -5.562 13.344) 17.824 2.379 ( 8.030 -0.408 -11.896) 14.358 2.558 ( 5.752 -4.792 -8.479) 11.311 2.868 ( -3.359 1.448 -0.645) 3.715 2.932 ( 1.873 2.764 -11.695) 12.162 2.983 ( -2.778 -9.034 4.658) 10.537 3.216 ( -6.929 -1.270 0.795) 7.089 3.462 ( -1.128 -1.954 2.819) 3.610 3.640 ( -1.166 1.047 2.596) 3.032 3.712 ( 2.606 1.077 5.829) 6.475 3.895 ( 3.008 3.425 -3.030) 5.473 4.160 ( 0.586 3.383 1.830) 3.891 4.287 ( -1.295 -2.735 -8.066) 8.614 4.568 ( 3.174 -4.504 -6.479) 8.505 4.910 ( 0.350 2.648 -2.988) 4.008 5.187 ( 4.127 -5.301 0.697) 6.754 5.388 ( -7.034 5.432 -0.756) 8.919 5.680 ( 4.283 0.554 1.208) 4.485 5.820 ( -3.769 0.646 1.701) 4.185 6.487 ( 9.065 -4.198 -3.841) 10.703 7.200 ( 10.581 4.168 8.395) 14.135 7.644 ( -1.651 7.117 2.150) 7.616 7.732 ( 0.842 -6.753 0.763) 6.848 8.195 ( -11.520 -2.613 -9.699) 15.284 8.548 ( -3.620 8.689 5.928) 11.124 9.660 ( 2.612 1.552 4.949) 5.807 9.846 ( -2.817 6.635 -3.651) 8.081 10.095 ( 5.711 -2.867 -7.320) 9.716 10.430 ( 10.258 0.374 4.347) 11.147 10.559 ( 0.191 -7.834 -6.682) 10.298 10.576 ( 1.808 -2.304 8.854) 9.326 10.845 ( 6.422 0.298 -4.586) 7.897 11.042 ( -3.048 5.039 0.137) 5.891 11.665 ( 8.406 -0.181 2.820) 8.868 11.757 ( 1.434 -0.088 0.288) 1.465 11.847 ( 5.309 0.946 1.872) 5.708 12.072 ( -3.915 -7.124 1.559) 8.277 12.440 ( -3.982 -5.817 -1.104) 7.135 12.649 ( -5.148 11.985 -7.337) 14.965 13.062 ( -2.898 4.630 15.757) 16.677 13.157 ( -19.293 -4.226 3.005) 19.978 14.000 ( 7.401 2.049 0.670) 7.708 14.728 ( 14.390 -10.424 -4.681) 18.375 14.971 ( 13.215 7.964 -6.737) 16.836 15.280 ( -13.602 -4.516 -3.243) 14.695 15.763 ( 0.664 5.283 4.221) 6.795 16.235 ( -5.749 -4.586 16.299) 17.881 16.523 ( 13.595 15.513 -3.832) 20.980 17.058 ( 1.452 -11.851 -4.157) 12.643 17.780 ( -9.369 2.082 0.739) 9.626 17.797 ( -8.574 -0.967 -6.560) 10.839 18.779 ( 6.634 1.375 2.277) 7.147 19.149 ( -2.907 -4.884 2.977) 6.416 20.164 ( -2.824 -1.871 -10.034) 10.590 22.104 ( 0.982 0.092 0.212) 1.009 ======================= Grid point 35 (27/90) ======================= q-point: ( 0.12 -0.50 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 8.873 -19.048 -12.459) 24.429 1.931 ( 7.677 -5.737 -11.204) 14.744 2.052 ( -10.407 2.887 13.939) 17.633 2.235 ( -6.849 8.060 14.315) 17.799 2.395 ( 8.987 3.823 -10.150) 14.086 2.781 ( -2.940 -0.248 3.526) 4.598 2.858 ( 3.824 0.364 7.181) 8.144 3.033 ( 2.854 4.178 -1.278) 5.219 3.339 ( 0.200 -3.575 -6.122) 7.092 3.546 ( 1.589 -1.646 -2.772) 3.594 3.649 ( 0.639 5.257 6.253) 8.194 3.795 ( 0.006 1.657 4.283) 4.592 3.812 ( 2.799 -2.364 -4.861) 6.087 4.156 ( -0.896 2.866 1.277) 3.263 4.179 ( 2.119 -3.303 7.048) 8.067 4.490 ( -2.816 2.985 -3.953) 5.698 4.875 ( -3.169 -2.452 2.032) 4.492 5.090 ( -4.371 6.229 -0.700) 7.641 5.466 ( 4.607 -2.232 4.340) 6.711 5.663 ( -1.735 -2.411 -2.634) 3.970 5.896 ( 3.543 -0.175 -1.589) 3.887 6.372 ( -3.228 0.288 -1.076) 3.415 7.203 ( -9.691 -4.761 -6.422) 12.563 7.658 ( -3.767 13.473 -6.688) 15.506 7.759 ( 4.573 -15.969 6.784) 17.943 8.183 ( 8.368 -1.326 9.588) 12.795 8.680 ( 1.792 -4.958 -0.702) 5.318 9.719 ( -2.149 -1.804 -4.412) 5.229 9.812 ( 0.096 1.160 3.309) 3.507 10.072 ( 0.927 -8.064 -0.655) 8.143 10.272 ( -8.071 7.147 1.877) 10.943 10.448 ( -4.834 1.696 -0.531) 5.150 10.711 ( 6.450 0.736 -4.783) 8.063 10.761 ( -1.678 4.576 -5.846) 7.611 11.187 ( 6.283 -11.581 -0.237) 13.178 11.575 ( -5.895 3.433 -1.027) 6.899 11.741 ( -1.349 -1.896 2.753) 3.605 11.814 ( -5.793 2.142 -5.592) 8.332 12.102 ( 3.405 4.219 -2.452) 5.950 12.390 ( -2.793 7.388 -0.364) 7.907 12.664 ( 6.266 -11.496 13.373) 18.715 13.243 ( -1.933 1.700 -6.227) 6.738 13.420 ( 14.812 4.053 -4.183) 15.916 13.973 ( -4.576 -3.818 -3.300) 6.812 14.469 ( -6.798 2.723 2.678) 7.797 14.791 ( -11.305 -5.922 2.339) 12.975 15.397 ( 16.397 7.042 2.527) 18.023 15.837 ( -1.070 -5.253 -2.344) 5.851 16.354 ( -17.550 -12.108 4.594) 21.811 16.497 ( 1.807 -2.355 -12.934) 13.270 16.911 ( 0.682 12.703 1.272) 12.785 17.761 ( 0.172 3.257 5.300) 6.223 17.893 ( 8.247 3.295 1.141) 8.953 18.797 ( -0.901 -4.120 -4.673) 6.294 19.189 ( 4.290 3.577 -0.924) 5.661 20.015 ( -2.088 2.737 9.670) 10.265 22.100 ( -0.585 -0.332 -0.487) 0.830 ======================= Grid point 36 (28/90) ======================= q-point: ( 0.25 -0.50 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 3.715 -18.930 -17.369) 25.958 1.915 ( 6.485 -5.157 -0.683) 8.314 2.135 ( 0.702 -2.804 8.052) 8.555 2.419 ( -3.621 7.262 12.296) 14.732 2.465 ( 7.033 6.688 -1.736) 9.859 2.774 ( -5.759 2.312 2.847) 6.828 3.000 ( 3.093 2.127 3.749) 5.305 3.060 ( 2.469 -4.710 -4.325) 6.855 3.266 ( -1.901 4.432 0.177) 4.825 3.480 ( -3.229 -1.862 -2.592) 4.540 3.701 ( 6.017 -3.789 -6.311) 9.507 3.804 ( 4.544 3.319 -0.755) 5.678 3.855 ( 2.685 -1.439 -1.244) 3.291 4.229 ( 5.565 -5.239 -2.716) 8.111 4.301 ( -1.681 3.839 16.386) 16.914 4.468 ( -3.135 6.137 3.522) 7.740 4.821 ( -5.544 0.965 -0.431) 5.644 5.107 ( -2.289 8.324 1.905) 8.841 5.517 ( 2.788 -6.838 -3.964) 8.381 5.604 ( -0.876 -1.081 3.350) 3.628 5.934 ( 5.667 -0.499 -1.714) 5.942 6.284 ( -7.457 -0.566 -1.813) 7.695 6.929 ( -9.279 -5.502 -7.826) 13.327 7.622 ( -3.009 9.364 -4.432) 10.787 7.784 ( 4.157 -13.209 4.428) 14.538 8.403 ( 2.591 -4.765 10.147) 11.505 8.689 ( 7.639 -4.507 2.901) 9.332 9.638 ( 0.391 -0.271 -3.335) 3.369 9.878 ( -4.389 2.993 1.095) 5.424 9.969 ( 1.959 -12.970 1.329) 13.184 10.202 ( -6.383 7.362 -3.571) 10.378 10.447 ( -2.953 7.882 -1.360) 8.526 10.644 ( -4.593 1.198 -3.830) 6.099 10.730 ( 5.053 -1.517 -3.881) 6.550 11.268 ( 11.429 -7.380 4.495) 14.328 11.419 ( -9.246 2.459 -8.841) 13.027 11.669 ( -4.009 -1.333 1.058) 4.355 11.838 ( 1.921 0.322 2.197) 2.936 12.098 ( -2.969 9.456 -6.032) 11.602 12.338 ( -7.432 0.276 1.440) 7.575 12.814 ( 3.915 -12.984 4.428) 14.267 13.175 ( 6.876 1.792 -4.220) 8.265 13.653 ( 15.994 10.629 -2.500) 19.366 13.803 ( -5.309 -6.458 -3.178) 8.943 14.348 ( -13.711 0.822 -0.755) 13.756 14.792 ( -1.390 -2.905 11.287) 11.737 15.560 ( 5.430 -2.233 -6.306) 8.616 15.782 ( 0.864 5.670 -5.207) 7.747 16.101 ( -15.440 -13.865 8.845) 22.558 16.401 ( 8.195 6.399 -11.522) 15.520 16.958 ( -5.067 -0.600 3.435) 6.150 17.828 ( -2.903 6.683 1.061) 7.363 18.124 ( 11.601 4.752 8.215) 14.988 18.710 ( 2.279 -0.414 -6.490) 6.891 19.197 ( -0.227 -2.335 -2.895) 3.726 20.161 ( -2.080 4.312 9.950) 11.042 22.078 ( -0.871 -0.525 -0.723) 1.248 ======================= Grid point 37 (29/90) ======================= q-point: ( 0.38 -0.50 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 1.555 -12.701 -11.738) 17.364 1.991 ( 5.320 -2.369 3.628) 6.861 2.259 ( 9.942 -4.121 3.106) 11.201 2.541 ( -3.421 4.011 4.855) 7.167 2.571 ( -5.538 7.592 5.621) 10.950 2.767 ( -0.094 -0.100 0.885) 0.896 2.937 ( -0.857 -3.146 -6.005) 6.833 3.038 ( -1.134 1.304 -2.214) 2.809 3.300 ( -3.421 4.380 1.347) 5.719 3.434 ( 2.346 -1.260 1.075) 2.871 3.634 ( 2.588 -4.548 -7.329) 9.005 3.821 ( 1.499 -2.600 1.480) 3.346 3.924 ( 2.614 4.388 0.059) 5.108 4.212 ( 8.970 -5.785 -5.142) 11.848 4.458 ( -7.390 1.542 8.657) 11.486 4.618 ( 4.147 5.369 8.672) 11.010 4.772 ( -3.449 4.785 -0.195) 5.902 5.196 ( -0.071 7.790 3.782) 8.660 5.411 ( 1.136 -5.976 -5.646) 8.300 5.642 ( 0.232 -2.701 2.554) 3.724 5.972 ( 5.704 -1.089 -2.869) 6.477 6.125 ( -11.164 -1.683 -1.090) 11.343 6.715 ( -4.271 -2.752 -4.980) 7.115 7.598 ( -1.612 4.177 -2.033) 4.917 7.796 ( 2.354 -6.753 2.100) 7.454 8.416 ( -1.876 -4.868 0.837) 5.284 8.920 ( 9.831 -2.931 12.660) 16.295 9.606 ( -0.356 1.970 -5.618) 5.964 9.762 ( -3.661 -0.686 -0.152) 3.727 10.008 ( 0.539 -9.530 1.975) 9.747 10.140 ( -1.754 7.774 -1.887) 8.190 10.428 ( 0.614 8.063 -6.832) 10.586 10.546 ( -4.523 -2.781 -0.689) 5.354 10.765 ( 2.717 -0.369 1.857) 3.312 11.196 ( -7.497 0.453 -7.355) 10.512 11.437 ( 11.010 -4.929 3.353) 12.520 11.663 ( -3.752 0.260 5.194) 6.413 11.839 ( -2.578 0.194 -2.388) 3.519 12.052 ( -2.252 8.312 -2.211) 8.891 12.313 ( -2.469 2.963 2.997) 4.884 12.664 ( -1.388 -12.224 -9.385) 15.474 13.333 ( 10.445 0.953 3.171) 10.958 13.592 ( -6.300 -2.683 -2.898) 7.435 13.970 ( 13.288 6.293 2.546) 14.922 14.166 ( -10.042 -0.266 -2.244) 10.293 14.935 ( -0.204 -0.937 11.075) 11.117 15.447 ( 1.328 -6.274 -6.938) 9.448 15.628 ( -10.315 -0.342 -7.000) 12.471 16.082 ( -0.907 6.264 1.491) 6.503 16.494 ( 13.765 0.680 -0.448) 13.790 16.876 ( -9.925 -5.194 2.333) 11.443 17.832 ( -3.203 3.241 0.709) 4.611 18.439 ( 10.253 6.844 8.509) 14.979 18.672 ( 3.260 3.070 -5.376) 6.997 19.076 ( -5.039 -7.443 -3.802) 9.759 20.271 ( -1.225 2.936 4.879) 5.825 22.055 ( -0.646 -0.408 -0.540) 0.936 ======================= Grid point 38 (30/90) ======================= q-point: (-0.50 0.50 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 0.000 -0.000 -0.000) 0.000 2.057 ( 0.000 0.000 -0.000) 0.000 2.361 ( 0.000 -0.000 -0.000) 0.000 2.529 ( -0.000 0.000 0.000) 0.000 2.607 ( 0.000 0.000 0.000) 0.000 2.752 ( 0.000 -0.000 -0.000) 0.000 2.918 ( 0.000 -0.000 -0.000) 0.000 2.984 ( 0.000 0.000 0.000) 0.000 3.295 ( 0.000 0.000 0.000) 0.000 3.511 ( 0.000 0.000 0.000) 0.000 3.529 ( 0.000 -0.000 -0.000) 0.000 3.842 ( 0.000 0.000 0.000) 0.000 3.952 ( 0.000 -0.000 -0.000) 0.000 4.223 ( -0.000 -0.000 0.000) 0.000 4.459 ( 0.000 0.000 -0.000) 0.000 4.740 ( 0.000 0.000 -0.000) 0.000 4.781 ( 0.000 -0.000 0.000) 0.000 5.289 ( 0.000 -0.000 -0.000) 0.000 5.327 ( 0.000 0.000 0.000) 0.000 5.641 ( 0.000 -0.000 0.000) 0.000 5.994 ( -0.000 0.000 0.000) 0.000 6.012 ( 0.000 -0.000 -0.000) 0.000 6.645 ( 0.000 -0.000 -0.000) 0.000 7.589 ( 0.000 -0.000 -0.000) 0.000 7.801 ( 0.000 0.000 -0.000) 0.000 8.384 ( 0.000 0.000 0.000) 0.000 9.098 ( 0.000 0.000 -0.000) 0.000 9.535 ( 0.000 -0.000 0.000) 0.000 9.776 ( 0.000 0.000 -0.000) 0.000 9.933 ( 0.000 -0.000 0.000) 0.000 10.178 ( 0.000 0.000 -0.000) 0.000 10.419 ( 0.000 -0.000 0.000) 0.000 10.486 ( 0.000 0.000 -0.000) 0.000 10.806 ( 0.000 0.000 0.000) 0.000 11.085 ( 0.000 0.000 0.000) 0.000 11.519 ( 0.000 -0.000 -0.000) 0.000 11.695 ( 0.000 0.000 0.000) 0.000 11.778 ( 0.000 0.000 -0.000) 0.000 12.072 ( 0.000 -0.000 0.000) 0.000 12.389 ( 0.000 0.000 0.000) 0.000 12.465 ( 0.000 -0.000 -0.000) 0.000 13.427 ( 0.000 0.000 0.000) 0.000 13.534 ( 0.000 0.000 0.000) 0.000 14.058 ( 0.000 -0.000 -0.000) 0.000 14.126 ( 0.000 0.000 -0.000) 0.000 15.023 ( 0.000 0.000 0.000) 0.000 15.379 ( 0.000 0.000 -0.000) 0.000 15.479 ( 0.000 -0.000 -0.000) 0.000 16.112 ( 0.000 0.000 0.000) 0.000 16.686 ( 0.000 0.000 0.000) 0.000 16.713 ( -0.000 -0.000 -0.000) 0.000 17.827 ( 0.000 0.000 -0.000) 0.000 18.603 ( 0.000 -0.000 0.000) 0.000 18.721 ( 0.000 -0.000 -0.000) 0.000 18.924 ( 0.000 0.000 0.000) 0.000 20.307 ( 0.000 0.000 0.000) 0.000 22.044 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 76 (31/90) ======================= q-point: ( 0.12 0.12 0.12) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 0.000 -0.000 25.122) 25.122 1.095 ( 0.000 -0.000 25.122) 25.122 2.048 ( 0.000 -0.000 40.908) 40.908 2.700 ( 0.000 -0.000 1.562) 1.562 2.700 ( 0.000 -0.000 1.562) 1.562 2.795 ( -0.000 0.000 -6.194) 6.194 2.840 ( -0.000 0.000 -15.413) 15.413 2.975 ( -0.000 0.000 -2.900) 2.900 2.975 ( -0.000 0.000 -2.900) 2.900 3.707 ( 0.000 -0.000 -1.645) 1.645 3.707 ( 0.000 0.000 -1.645) 1.645 3.731 ( 0.000 -0.000 11.739) 11.739 4.115 ( -0.000 0.000 -1.489) 1.489 4.115 ( -0.000 0.000 -1.489) 1.489 4.141 ( 0.000 -0.000 0.749) 0.749 4.537 ( -0.000 0.000 -5.991) 5.991 4.789 ( -0.000 0.000 -7.482) 7.482 4.789 ( -0.000 0.000 -7.482) 7.482 5.447 ( 0.000 -0.000 3.692) 3.692 5.787 ( 0.000 -0.000 4.620) 4.620 5.787 ( 0.000 -0.000 4.620) 4.620 7.166 ( -0.000 0.000 -18.850) 18.850 7.247 ( -0.000 0.000 -4.655) 4.655 7.247 ( -0.000 0.000 -4.655) 4.655 8.090 ( 0.000 -0.000 9.492) 9.492 8.090 ( 0.000 -0.000 9.492) 9.492 8.751 ( 0.000 -0.000 13.043) 13.043 9.808 ( 0.000 0.000 -0.857) 0.857 9.808 ( 0.000 0.000 -0.857) 0.857 9.912 ( -0.000 0.000 -12.883) 12.883 10.348 ( -0.000 0.000 -8.306) 8.306 10.348 ( -0.000 0.000 -8.306) 8.306 11.157 ( 0.000 0.000 -5.137) 5.137 11.157 ( -0.000 0.000 -5.137) 5.137 11.474 ( 0.000 -0.000 5.451) 5.451 11.692 ( 0.000 -0.000 0.225) 0.225 11.721 ( 0.000 0.000 -3.598) 3.598 11.721 ( -0.000 0.000 -3.598) 3.598 12.175 ( 0.000 -0.000 5.152) 5.152 12.337 ( 0.000 0.000 -0.803) 0.803 12.337 ( 0.000 -0.000 -0.803) 0.803 13.024 ( 0.000 -0.000 16.848) 16.848 13.024 ( 0.000 -0.000 16.848) 16.848 14.143 ( -0.000 0.000 -5.664) 5.664 14.503 ( -0.000 0.000 -14.497) 14.497 15.472 ( 0.000 0.000 -8.787) 8.787 15.472 ( -0.000 0.000 -8.787) 8.787 15.953 ( 0.000 -0.000 9.414) 9.414 16.281 ( 0.000 -0.000 5.190) 5.190 16.394 ( -0.000 0.000 -4.253) 4.253 16.394 ( -0.000 0.000 -4.253) 4.253 17.642 ( 0.000 -0.000 5.731) 5.731 17.642 ( 0.000 -0.000 5.731) 5.731 19.260 ( 0.000 -0.000 9.516) 9.516 19.260 ( 0.000 -0.000 9.516) 9.516 19.385 ( -0.000 0.000 -13.544) 13.544 22.126 ( -0.000 0.000 -0.679) 0.679 ======================= Grid point 77 (32/90) ======================= q-point: ( 0.25 0.12 0.12) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 4.241 -0.451 22.263) 22.668 1.542 ( 6.888 5.900 22.226) 24.006 2.340 ( -2.763 -1.261 -1.401) 3.345 2.583 ( -9.243 -1.985 -6.338) 11.382 2.654 ( -0.400 -8.346 -4.978) 9.726 2.777 ( 0.006 3.846 2.854) 4.789 2.888 ( -2.715 -1.272 3.395) 4.529 2.972 ( 5.796 3.971 16.270) 17.723 2.989 ( 3.994 1.331 1.861) 4.603 3.589 ( -5.183 -1.361 -0.858) 5.427 3.693 ( -3.077 -0.500 1.053) 3.291 3.945 ( -3.131 0.613 1.826) 3.676 3.983 ( -1.581 0.894 4.181) 4.559 4.057 ( -0.238 -4.790 -1.474) 5.018 4.249 ( 6.329 3.247 -6.869) 9.889 4.405 ( -2.474 -2.401 -4.523) 5.687 4.656 ( 2.633 -1.599 -5.916) 6.670 4.833 ( 8.330 8.227 -5.480) 12.927 5.506 ( -2.251 -1.556 7.493) 7.977 5.797 ( -2.198 1.199 0.552) 2.564 5.871 ( 2.928 -1.359 2.247) 3.933 6.770 ( -13.171 -6.962 -12.800) 19.642 7.221 ( -0.253 10.625 -6.574) 12.496 7.270 ( 11.361 -4.534 -6.048) 13.646 8.138 ( -6.901 -2.904 10.806) 13.146 8.257 ( -0.416 -0.774 8.918) 8.961 8.830 ( -5.940 -3.731 7.842) 10.521 9.737 ( -0.498 -1.970 -3.278) 3.857 9.810 ( 0.870 2.724 -4.015) 4.929 9.864 ( 4.916 0.667 0.175) 4.964 10.180 ( -2.144 1.987 -8.511) 8.999 10.339 ( 8.389 3.005 -7.476) 11.631 10.967 ( -9.395 -1.994 -3.500) 10.222 11.119 ( -3.847 -7.139 -3.517) 8.840 11.444 ( -0.263 -1.091 -2.655) 2.883 11.612 ( -0.811 -5.907 1.167) 6.076 11.681 ( -4.527 10.849 -3.655) 12.311 11.780 ( 5.345 -0.996 -7.223) 9.041 12.064 ( -7.591 -3.934 2.719) 8.971 12.295 ( 0.013 -4.364 -3.573) 5.641 12.607 ( 13.490 10.458 10.523) 20.052 13.071 ( -8.322 -7.582 13.585) 17.644 13.373 ( 4.209 3.360 13.611) 14.638 14.047 ( 0.044 -0.809 -7.307) 7.352 14.359 ( 7.059 6.635 -16.342) 18.998 15.165 ( -15.064 -3.458 -4.483) 16.093 15.470 ( 3.324 -5.717 -5.458) 8.575 16.004 ( -4.123 -6.333 4.474) 8.781 16.139 ( -2.922 1.713 1.832) 3.851 16.469 ( 12.569 3.716 -5.314) 14.143 16.572 ( 9.232 11.524 -5.810) 15.868 17.664 ( -5.292 0.261 10.322) 11.603 17.798 ( 2.631 -2.674 8.706) 9.480 19.133 ( -7.156 1.467 -10.428) 12.732 19.273 ( -2.369 -9.230 5.578) 11.042 19.577 ( 10.388 9.097 7.393) 15.662 22.113 ( -0.108 -0.054 -0.995) 1.002 ======================= Grid point 78 (33/90) ======================= q-point: ( 0.38 0.12 0.12) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 9.614 1.312 19.013) 21.346 1.961 ( 7.198 6.510 17.709) 20.194 2.167 ( -6.161 -1.502 -10.724) 12.458 2.303 ( -12.253 -4.167 -8.081) 15.258 2.492 ( -4.635 -10.993 -4.617) 12.793 2.794 ( -3.858 2.796 -4.115) 6.296 2.884 ( 0.509 1.265 2.197) 2.585 2.966 ( 3.997 -5.141 1.753) 6.744 3.417 ( 2.169 0.600 10.665) 10.900 3.546 ( -4.643 5.952 2.860) 8.073 3.719 ( -2.674 -0.071 8.671) 9.075 3.832 ( -9.025 4.174 4.100) 10.755 3.957 ( -3.481 -1.494 -8.915) 9.687 4.003 ( 3.886 -9.546 -3.570) 10.907 4.227 ( 1.389 0.407 6.387) 6.549 4.405 ( 2.169 2.594 -4.061) 5.284 4.704 ( 11.674 -0.497 0.546) 11.697 4.935 ( 6.119 9.448 -4.077) 11.972 5.558 ( -3.751 -3.269 7.613) 9.094 5.749 ( -4.028 2.277 -3.276) 5.669 5.892 ( 2.076 -4.912 -0.847) 5.400 6.447 ( -7.483 -1.677 -7.809) 10.945 7.204 ( 0.926 9.530 -7.636) 12.247 7.302 ( 11.837 -4.399 -6.144) 14.043 8.138 ( -11.714 -1.727 8.116) 14.355 8.315 ( -4.222 -7.798 9.442) 12.953 8.810 ( -5.067 -1.748 3.490) 6.396 9.714 ( 1.032 0.854 -1.453) 1.977 9.758 ( 1.592 -0.588 -4.545) 4.852 9.998 ( 6.791 3.658 4.866) 9.120 10.126 ( 4.076 3.683 -5.389) 7.696 10.391 ( 7.632 5.909 -5.361) 11.041 10.805 ( -7.611 -1.527 -2.159) 8.057 10.867 ( -13.225 -9.551 -3.713) 16.730 11.409 ( 3.920 1.612 -7.918) 8.981 11.574 ( -10.601 -1.886 6.655) 12.658 11.670 ( 5.612 0.805 -6.426) 8.569 11.728 ( 1.985 2.704 -2.067) 3.940 12.030 ( 1.247 1.394 -4.188) 4.587 12.233 ( 3.413 -4.924 -1.156) 6.102 12.947 ( -3.141 2.413 14.054) 14.602 13.104 ( 3.784 -3.558 6.879) 8.620 13.491 ( -3.759 0.312 0.143) 3.775 13.946 ( 1.177 -1.834 -6.367) 6.729 14.349 ( 9.683 10.521 -10.595) 17.796 14.947 ( -13.271 1.792 2.668) 13.654 15.372 ( 2.003 -13.087 -2.291) 13.436 15.894 ( -0.595 -9.506 -4.049) 10.350 16.250 ( 5.266 14.811 -4.583) 16.374 16.558 ( 12.357 -12.723 -1.212) 17.778 16.647 ( -2.244 18.919 -2.300) 19.190 17.784 ( -0.866 -2.086 11.599) 11.817 17.915 ( -2.448 1.161 9.547) 9.925 18.912 ( -4.358 2.641 -12.067) 13.099 19.226 ( -4.011 -8.984 3.372) 10.401 19.863 ( 7.581 4.922 9.021) 12.770 22.098 ( 0.132 0.113 -1.126) 1.139 ======================= Grid point 79 (34/90) ======================= q-point: (-0.50 0.12 0.12) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( -12.653 -2.569 -15.615) 20.262 1.967 ( -13.363 -7.462 -5.554) 16.282 2.179 ( 10.671 3.252 13.543) 17.546 2.237 ( -7.491 -9.868 -7.019) 14.239 2.357 ( 5.838 6.432 15.097) 17.418 2.742 ( 3.837 0.633 -2.734) 4.754 2.914 ( 1.088 -2.057 1.877) 2.990 3.061 ( 0.719 -3.154 9.448) 9.986 3.327 ( -8.744 1.213 -5.779) 10.551 3.536 ( -5.101 -2.724 -5.128) 7.728 3.700 ( -5.549 -0.956 -0.112) 5.631 3.732 ( -2.024 1.987 -5.239) 5.958 3.912 ( -0.646 0.368 4.230) 4.295 4.135 ( 3.925 -2.834 6.996) 8.508 4.345 ( -3.105 2.057 4.393) 5.759 4.407 ( 7.027 2.886 3.607) 8.410 4.880 ( 7.365 0.029 4.408) 8.584 5.006 ( 4.675 6.989 -3.954) 9.292 5.551 ( -4.453 -4.882 2.698) 7.138 5.671 ( -2.546 2.681 -2.520) 4.474 5.854 ( 0.632 -3.892 -1.093) 4.092 6.357 ( 1.737 3.500 -1.596) 4.220 7.172 ( 2.712 7.172 -9.529) 12.230 7.340 ( 11.501 -3.290 -6.302) 13.520 8.037 ( -13.721 0.290 3.393) 14.137 8.313 ( -4.335 -14.335 10.379) 18.221 8.758 ( -7.062 1.747 -0.596) 7.299 9.661 ( 0.460 1.761 -6.170) 6.433 9.828 ( 5.587 0.672 5.257) 7.701 10.099 ( 0.433 -3.308 -3.581) 4.894 10.204 ( 8.767 11.355 -0.892) 14.373 10.455 ( 2.291 7.008 -1.484) 7.521 10.637 ( -3.043 -9.150 -1.832) 9.816 10.735 ( -4.606 4.248 3.790) 7.322 11.304 ( -3.645 -1.681 -6.371) 7.530 11.555 ( -2.891 7.891 -0.232) 8.407 11.661 ( 7.843 -3.012 -5.155) 9.857 11.804 ( 2.892 1.396 3.877) 5.034 11.972 ( 1.077 -0.821 -5.174) 5.348 12.286 ( 6.295 -3.969 2.256) 7.776 12.945 ( -7.870 -11.797 8.503) 16.535 13.190 ( -4.777 4.108 -7.841) 10.059 13.384 ( -7.155 3.359 -0.032) 7.904 13.896 ( 5.046 -0.037 -4.991) 7.098 14.428 ( 8.040 5.508 -2.793) 10.138 14.974 ( -2.393 9.032 9.266) 13.159 15.276 ( 2.088 -12.891 -1.291) 13.122 15.762 ( 4.015 -9.940 -7.588) 13.134 16.218 ( -4.274 10.872 -14.396) 18.539 16.652 ( 14.720 -12.145 1.415) 19.136 16.765 ( -3.500 17.558 5.976) 18.874 17.857 ( -0.494 -11.432 6.599) 13.209 18.026 ( -9.947 11.871 9.554) 18.197 18.764 ( -0.365 4.020 -6.827) 7.931 19.137 ( -2.601 -9.557 0.433) 9.914 20.085 ( 4.871 0.522 8.255) 9.599 22.090 ( 0.618 0.423 -0.933) 1.196 ======================= Grid point 80 (35/90) ======================= q-point: (-0.38 0.12 0.12) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -18.736 -4.484 -15.393) 24.660 1.605 ( -15.623 -14.207 -8.752) 22.858 2.000 ( -8.433 -3.805 -2.293) 9.531 2.475 ( 6.696 1.097 8.028) 10.511 2.641 ( 3.287 6.634 9.580) 12.107 2.793 ( 6.207 -3.743 -2.576) 7.693 2.941 ( -4.724 0.633 2.031) 5.181 3.140 ( -6.996 -0.311 6.516) 9.565 3.182 ( 2.752 -4.819 3.945) 6.808 3.403 ( -0.696 -2.920 -1.442) 3.330 3.571 ( -1.601 -1.191 -8.052) 8.296 3.695 ( -1.103 5.048 -3.218) 6.087 4.001 ( -0.868 4.094 4.028) 5.809 4.090 ( 1.413 -3.342 -6.948) 7.838 4.389 ( -3.181 -0.225 4.435) 5.462 4.627 ( 4.837 2.836 9.929) 11.402 4.982 ( -0.291 1.178 3.861) 4.048 5.076 ( 7.710 2.932 -3.821) 9.091 5.447 ( -5.696 -4.870 -1.478) 7.638 5.664 ( 1.386 2.933 -2.232) 3.938 5.825 ( -2.152 -2.923 1.704) 4.010 6.488 ( 8.838 6.892 4.885) 12.226 7.115 ( 4.385 4.615 -11.958) 13.547 7.363 ( 9.317 -2.276 -7.304) 12.056 7.925 ( -11.338 3.638 2.972) 12.273 8.272 ( -3.919 -18.104 8.706) 20.467 8.620 ( -10.824 2.929 -5.068) 12.305 9.607 ( 0.718 3.120 -5.158) 6.071 9.942 ( -1.973 -2.604 0.383) 3.290 10.083 ( 10.552 0.081 4.312) 11.399 10.345 ( 6.806 14.232 -7.337) 17.399 10.496 ( -2.718 0.004 -3.538) 4.462 10.608 ( 2.366 -0.051 8.252) 8.584 10.869 ( 5.613 3.964 7.613) 10.256 11.174 ( -5.759 -0.764 -0.196) 5.813 11.574 ( 3.892 10.108 -7.618) 13.243 11.679 ( 8.342 -6.732 -2.826) 11.086 11.916 ( -2.683 4.687 2.799) 6.083 11.929 ( 4.349 -0.582 0.191) 4.392 12.342 ( 3.114 -6.959 1.442) 7.759 12.869 ( -4.208 -15.169 7.275) 17.342 12.901 ( -9.831 1.304 -16.861) 19.561 13.281 ( -19.574 4.669 3.110) 20.362 13.939 ( 8.190 3.122 -3.351) 9.384 14.607 ( 16.063 5.439 0.036) 16.959 15.149 ( 0.329 -1.614 3.257) 3.650 15.261 ( 2.619 4.960 8.066) 9.825 15.644 ( 7.760 -11.541 -8.689) 16.399 15.982 ( -9.578 7.319 -14.902) 19.168 16.713 ( 3.285 -5.961 0.367) 6.817 16.982 ( 6.071 9.059 6.534) 12.713 17.793 ( -5.653 -10.401 2.242) 12.049 18.054 ( -13.693 8.756 5.827) 17.266 18.794 ( 2.743 5.946 2.435) 6.986 19.044 ( 0.527 -9.194 -1.154) 9.281 20.221 ( 2.638 -1.462 4.882) 5.739 22.095 ( 1.046 0.656 -0.538) 1.347 ======================= Grid point 81 (36/90) ======================= q-point: (-0.25 0.12 0.12) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( -21.169 -6.246 -9.117) 23.880 1.151 ( -16.831 -18.515 -6.074) 25.748 1.843 ( -20.105 -8.721 9.371) 23.835 2.609 ( 1.316 -0.227 4.165) 4.374 2.653 ( -6.029 -3.960 -6.109) 9.452 2.793 ( 4.933 0.434 -0.335) 4.963 2.910 ( -0.119 5.449 1.496) 5.652 3.215 ( -1.017 -3.303 1.570) 3.796 3.310 ( 7.208 5.115 1.968) 9.055 3.440 ( 2.978 2.601 4.440) 5.946 3.505 ( 5.215 -0.878 -1.287) 5.443 3.677 ( -0.514 4.282 -2.403) 4.937 3.919 ( -1.072 -3.307 -7.525) 8.289 4.125 ( 1.240 1.827 4.152) 4.703 4.359 ( -4.696 -2.116 0.575) 5.183 4.809 ( 4.489 2.981 2.255) 5.842 5.010 ( -2.239 -1.966 3.200) 4.373 5.106 ( 3.440 3.157 -5.788) 7.437 5.346 ( -2.082 -2.458 0.028) 3.221 5.651 ( 0.713 -0.049 -3.373) 3.448 5.794 ( -4.636 -2.726 3.126) 6.220 6.801 ( 12.279 8.025 11.296) 18.514 7.028 ( 6.027 2.672 -13.027) 14.600 7.343 ( 5.047 0.192 -7.584) 9.112 7.897 ( -7.839 6.211 5.354) 11.344 8.163 ( -5.968 -14.444 1.273) 15.680 8.419 ( -9.905 -2.769 -2.484) 10.580 9.598 ( 2.548 3.223 -2.159) 4.642 9.889 ( -0.230 -3.610 -0.596) 3.666 10.331 ( 3.167 3.683 -3.433) 5.948 10.403 ( 10.157 4.222 2.755) 11.340 10.448 ( 4.771 5.399 -2.510) 7.630 10.701 ( -1.867 0.201 1.767) 2.579 11.075 ( 7.708 2.610 4.211) 9.163 11.219 ( 1.479 0.885 10.508) 10.649 11.612 ( 7.335 7.153 -6.315) 12.035 11.700 ( 6.965 -3.533 -2.005) 8.063 11.854 ( -1.651 0.746 -5.209) 5.515 12.065 ( 0.605 5.021 5.241) 7.283 12.278 ( -2.270 -6.751 -3.390) 7.888 12.553 ( -13.837 1.534 -10.377) 17.364 12.844 ( 0.790 -17.437 9.573) 19.908 13.069 ( -22.943 1.062 4.350) 23.375 14.043 ( 8.274 4.319 -1.775) 9.501 14.882 ( 19.463 8.926 -2.949) 21.614 15.132 ( -0.478 -1.726 0.320) 1.820 15.506 ( 7.390 -1.554 2.886) 8.084 15.576 ( 6.181 -2.173 0.390) 6.564 15.711 ( -10.038 8.947 -11.991) 18.017 16.660 ( -4.604 -3.549 -1.505) 6.005 17.202 ( 7.593 0.529 6.691) 10.134 17.638 ( -8.369 -7.682 -0.692) 11.381 17.989 ( -11.577 2.115 2.731) 12.081 18.929 ( 3.292 2.262 3.611) 5.384 19.008 ( 0.879 -2.890 3.320) 4.489 20.258 ( 0.519 0.556 -2.929) 3.027 22.109 ( 1.127 0.649 -0.248) 1.323 ======================= Grid point 82 (37/90) ======================= q-point: (-0.12 0.12 0.12) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( -13.213 -11.340 7.978) 19.153 0.852 ( -15.248 -13.411 15.293) 25.421 1.588 ( -33.618 -16.249 22.048) 43.362 2.544 ( 2.481 4.152 -4.914) 6.895 2.679 ( -0.304 -1.646 4.799) 5.082 2.840 ( 8.724 -1.681 -3.175) 9.435 2.958 ( 0.705 5.149 -3.456) 6.241 3.158 ( -2.813 2.362 -3.711) 5.221 3.307 ( 3.359 1.339 -14.268) 14.719 3.535 ( 2.145 -3.645 -0.060) 4.230 3.626 ( 1.815 9.092 3.764) 10.006 3.699 ( 0.213 1.919 2.366) 3.054 3.859 ( 6.455 -2.876 0.057) 7.066 4.202 ( 1.020 -1.341 3.545) 3.925 4.276 ( -5.448 -1.727 0.349) 5.726 4.763 ( -3.438 -1.169 -8.626) 9.360 5.020 ( 3.483 -5.692 -4.772) 8.204 5.057 ( -4.564 5.492 -2.245) 7.485 5.357 ( 2.542 1.508 0.100) 2.957 5.611 ( -0.045 -1.554 -0.231) 1.572 5.763 ( -4.431 -3.234 4.996) 7.420 7.000 ( 9.473 4.335 -4.646) 11.407 7.241 ( 13.932 7.350 13.387) 20.672 7.309 ( 4.924 4.172 -4.219) 7.711 7.930 ( -5.633 -1.396 -2.903) 6.490 7.970 ( -8.826 2.059 5.492) 10.597 8.294 ( -4.296 -10.413 5.971) 12.749 9.668 ( 5.467 3.168 1.362) 6.464 9.857 ( 2.506 -4.788 -2.021) 5.770 10.216 ( -5.178 2.098 -6.374) 8.476 10.483 ( -0.394 4.623 -1.726) 4.950 10.613 ( 2.731 1.371 -5.250) 6.074 10.809 ( 17.844 2.505 6.110) 19.027 11.238 ( 6.393 2.874 2.890) 7.582 11.301 ( 1.475 -9.143 -2.490) 9.590 11.685 ( 4.613 4.121 -2.750) 6.770 11.771 ( 4.704 0.305 2.114) 5.167 11.822 ( 1.085 8.480 -1.412) 8.665 12.024 ( 2.704 -4.142 -5.856) 7.666 12.279 ( -9.869 4.339 1.482) 10.882 12.306 ( -5.667 -0.004 5.327) 7.777 12.835 ( -18.245 -2.248 4.187) 18.854 12.893 ( -2.754 -16.265 13.971) 21.618 14.148 ( 6.209 3.626 -1.683) 7.384 15.011 ( -4.318 0.566 -6.732) 8.018 15.195 ( 15.382 14.165 -8.036) 22.401 15.478 ( 11.529 -3.822 -4.504) 12.954 15.628 ( 5.988 -3.774 3.711) 7.991 15.783 ( -2.009 10.326 6.724) 12.484 16.525 ( -10.046 0.700 -0.995) 10.119 17.328 ( -4.915 -9.394 9.075) 13.956 17.487 ( -0.872 -2.172 -4.275) 4.874 17.835 ( -7.230 -6.469 -6.063) 11.440 18.983 ( 4.206 -1.899 0.356) 4.629 19.117 ( -2.487 2.647 9.701) 10.359 20.102 ( -6.802 2.356 -18.351) 19.713 22.123 ( 0.831 0.459 -0.211) 0.972 ======================= Grid point 85 (38/90) ======================= q-point: ( 0.25 0.25 0.12) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -1.479 -2.667 21.041) 21.261 1.852 ( 0.905 9.626 19.521) 21.784 2.230 ( 0.580 -3.180 -11.506) 11.952 2.477 ( 1.239 -10.149 -6.835) 12.299 2.607 ( -3.495 -7.914 -0.453) 8.664 2.825 ( 2.656 -2.132 0.128) 3.409 2.860 ( 1.279 5.981 -0.350) 6.126 2.953 ( -4.082 6.832 -6.181) 10.077 3.368 ( -0.493 -1.109 24.046) 24.077 3.578 ( 4.791 -3.212 6.347) 8.576 3.740 ( -2.218 3.145 -1.298) 4.062 3.883 ( 2.818 -9.580 -1.388) 10.082 4.011 ( 0.769 -1.264 1.212) 1.913 4.124 ( 2.761 1.612 -7.576) 8.223 4.175 ( -5.670 4.150 5.306) 8.805 4.368 ( 0.893 1.222 0.151) 1.521 4.582 ( -5.300 0.646 -4.792) 7.174 4.755 ( 4.032 10.996 -3.338) 12.178 5.621 ( -0.367 -3.064 8.430) 8.977 5.769 ( 2.203 -3.708 -2.186) 4.835 5.897 ( -2.518 4.860 -1.080) 5.579 6.609 ( 0.997 -8.982 -13.533) 16.273 7.028 ( 0.660 -5.515 -6.646) 8.661 7.259 ( -1.388 11.998 -5.543) 13.289 8.273 ( 1.646 -10.526 10.483) 14.947 8.400 ( -1.752 -1.096 9.989) 10.200 8.893 ( 0.298 -6.397 2.597) 6.911 9.691 ( -0.112 -1.226 -0.248) 1.256 9.778 ( -1.803 3.066 -7.078) 7.921 9.855 ( 1.832 7.897 -0.176) 8.108 10.090 ( -0.211 -1.960 -2.571) 3.239 10.249 ( 0.214 7.741 -4.533) 8.973 10.869 ( 0.408 -13.573 -3.316) 13.979 11.164 ( 1.188 6.423 -5.441) 8.501 11.344 ( -0.018 0.631 -9.723) 9.743 11.575 ( -2.362 -7.950 1.531) 8.433 11.596 ( 0.765 -3.502 -4.189) 5.513 11.771 ( 0.171 9.311 -2.516) 9.646 12.063 ( 4.563 -13.966 -0.200) 14.693 12.235 ( -5.233 -1.997 -2.544) 6.152 12.798 ( 0.920 19.631 13.074) 23.604 13.211 ( -2.415 -15.341 8.808) 17.854 13.591 ( 1.975 9.933 11.333) 15.199 13.890 ( -0.896 1.709 -14.208) 14.338 14.141 ( 1.254 3.807 -11.075) 11.778 15.106 ( 3.839 -13.994 -1.096) 14.553 15.452 ( -5.254 9.599 -5.610) 12.297 15.945 ( -4.949 -13.672 -4.073) 15.100 16.099 ( 3.475 -8.365 -2.381) 9.366 16.379 ( 1.742 11.834 1.017) 12.005 16.644 ( 0.834 18.539 -1.280) 18.602 17.763 ( 0.230 -11.670 12.017) 16.753 17.990 ( -0.199 6.224 11.687) 13.243 18.938 ( 1.709 2.002 -17.434) 17.632 19.374 ( -2.718 -10.221 6.084) 12.201 19.701 ( 1.018 10.341 11.478) 15.483 22.095 ( 0.010 -0.138 -1.413) 1.419 ======================= Grid point 86 (39/90) ======================= q-point: ( 0.38 0.25 0.12) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( 4.500 -2.444 14.647) 15.516 2.008 ( -0.159 -7.850 -12.746) 14.970 2.169 ( -0.483 6.210 9.877) 11.677 2.322 ( -3.988 -3.676 2.455) 5.954 2.468 ( -8.181 -11.838 1.036) 14.427 2.804 ( -7.284 7.040 -7.027) 12.328 2.840 ( 5.841 -3.894 -0.450) 7.034 2.986 ( 1.231 6.110 4.838) 7.891 3.423 ( 2.629 -8.869 -3.178) 9.781 3.695 ( -7.499 6.611 0.846) 10.033 3.787 ( 2.184 1.012 -2.975) 3.827 3.796 ( 1.543 -9.023 -2.764) 9.562 4.043 ( -1.801 -1.809 5.832) 6.367 4.106 ( -11.766 4.238 1.879) 12.646 4.202 ( 7.784 2.740 10.290) 13.190 4.393 ( -1.754 0.473 0.226) 1.831 4.623 ( 8.656 2.626 6.113) 10.917 4.882 ( 5.721 12.298 -2.465) 13.786 5.636 ( -1.444 -5.304 -0.168) 5.499 5.776 ( 0.325 -0.931 2.967) 3.126 5.833 ( -4.434 0.321 -4.076) 6.031 6.376 ( -1.627 -3.608 -9.254) 10.065 6.945 ( 8.473 -6.386 -8.773) 13.768 7.261 ( -0.777 11.614 -4.932) 12.642 8.311 ( -2.936 -10.893 7.121) 13.341 8.405 ( -5.747 -9.363 4.523) 11.881 8.899 ( -2.661 0.543 3.903) 4.755 9.652 ( -1.362 0.664 -6.425) 6.602 9.722 ( 2.782 -0.139 1.792) 3.312 9.967 ( 6.234 9.498 -6.375) 13.027 10.094 ( 0.254 1.321 6.276) 6.418 10.310 ( 5.524 7.421 -1.843) 9.433 10.721 ( -2.168 -11.831 -1.995) 12.192 11.060 ( -12.104 3.009 -2.896) 12.804 11.223 ( 5.632 -0.377 -12.607) 13.813 11.447 ( 2.894 -8.410 -4.325) 9.890 11.681 ( 5.905 0.979 3.885) 7.136 11.744 ( -5.075 4.805 -2.673) 7.483 12.062 ( -3.289 -2.084 2.399) 4.574 12.126 ( 2.603 -2.178 -1.693) 3.793 13.092 ( -4.258 -14.473 -0.112) 15.087 13.152 ( 5.112 10.856 10.061) 15.659 13.617 ( -11.443 8.449 -6.007) 15.440 13.822 ( 3.054 -1.924 -0.833) 3.704 14.155 ( 11.491 8.182 -5.839) 15.267 15.065 ( 1.103 -6.815 2.237) 7.257 15.325 ( -9.348 0.768 -2.137) 9.620 15.715 ( -1.827 -11.078 -7.831) 13.689 16.132 ( 11.195 4.749 -6.328) 13.709 16.485 ( -1.802 4.106 1.848) 4.850 16.773 ( 2.088 10.358 2.852) 10.945 17.835 ( 0.808 -12.419 10.087) 16.019 18.199 ( -2.692 8.974 12.638) 15.732 18.757 ( 1.721 5.696 -15.072) 16.204 19.285 ( -7.171 -13.784 4.337) 16.131 19.956 ( 3.998 7.872 9.009) 12.614 22.076 ( 0.352 0.043 -1.520) 1.561 ======================= Grid point 87 (40/90) ======================= q-point: (-0.50 0.25 0.12) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -2.680 -14.777 -14.713) 21.025 1.960 ( -10.893 -4.572 -7.167) 13.818 2.219 ( -7.785 -3.643 -1.054) 8.660 2.315 ( 1.461 -1.280 14.479) 14.608 2.558 ( 3.392 6.866 13.407) 15.440 2.715 ( -2.714 3.551 -1.953) 4.877 2.921 ( 4.441 -2.606 5.152) 7.284 3.078 ( 1.438 0.794 0.717) 1.793 3.326 ( 2.334 -5.484 -4.045) 7.203 3.583 ( -9.550 1.090 -3.603) 10.265 3.697 ( -6.628 -1.942 -2.640) 7.394 3.748 ( -2.921 3.639 -2.079) 5.108 4.012 ( 2.749 -6.947 -4.230) 8.585 4.029 ( -3.397 0.765 0.046) 3.483 4.431 ( 0.624 3.378 3.275) 4.746 4.534 ( 3.126 4.752 15.796) 16.788 4.822 ( 8.718 -1.276 2.866) 9.265 4.992 ( 1.469 10.555 -0.419) 10.665 5.543 ( -1.492 -5.191 -3.986) 6.712 5.700 ( -4.806 1.851 -3.601) 6.284 5.831 ( 0.805 -3.495 4.136) 5.475 6.307 ( 5.456 2.740 -3.648) 7.112 6.890 ( 9.641 -6.404 -9.565) 15.015 7.274 ( -0.085 10.971 -4.680) 11.927 8.218 ( -10.047 -1.570 0.784) 10.200 8.326 ( -0.110 -18.553 4.990) 19.213 8.875 ( -8.447 4.996 -1.819) 9.981 9.588 ( 0.601 0.484 -3.014) 3.111 9.827 ( 5.822 1.093 4.317) 7.329 9.943 ( 3.575 0.264 -9.116) 9.795 10.245 ( 2.280 6.834 4.191) 8.335 10.423 ( 6.310 7.438 -1.837) 9.925 10.620 ( -1.625 -8.427 3.575) 9.297 10.914 ( -7.808 0.141 1.524) 7.956 11.145 ( 5.299 0.605 -8.391) 9.942 11.402 ( 8.040 -7.983 -4.873) 12.333 11.661 ( -5.461 4.857 -2.601) 7.757 11.832 ( 4.482 3.305 2.500) 6.104 12.011 ( -5.720 4.979 3.450) 8.332 12.229 ( 6.563 -4.088 5.634) 9.567 12.870 ( -1.183 -15.153 -8.443) 17.387 13.245 ( -10.380 3.007 -3.045) 11.228 13.563 ( 1.090 11.188 -0.169) 11.242 13.822 ( -3.745 -0.550 3.855) 5.402 14.272 ( 10.489 4.233 -6.027) 12.817 15.090 ( 3.500 -4.090 0.157) 5.386 15.251 ( -3.682 4.248 5.029) 7.543 15.532 ( 0.443 -10.082 -5.654) 11.568 16.188 ( 1.999 15.156 -13.071) 20.114 16.484 ( 1.748 -10.526 6.156) 12.318 16.920 ( 3.191 6.296 3.129) 7.721 17.868 ( -0.359 -8.576 5.543) 10.218 18.350 ( -7.579 10.723 5.179) 14.116 18.704 ( 4.177 5.031 -1.728) 6.763 19.123 ( -6.425 -15.088 1.595) 16.476 20.148 ( 2.603 4.455 5.775) 7.744 22.067 ( 0.982 0.381 -1.225) 1.616 ======================= Grid point 88 (41/90) ======================= q-point: (-0.38 0.25 0.12) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -8.593 -17.277 -10.680) 22.054 1.632 ( -18.624 -2.837 -6.076) 19.795 2.093 ( -5.080 -2.661 2.298) 6.178 2.536 ( 2.817 4.519 7.092) 8.868 2.704 ( 0.553 -0.593 -0.912) 1.220 2.793 ( 0.760 5.053 7.486) 9.064 2.991 ( -1.226 -1.696 -2.046) 2.926 3.101 ( 7.081 -5.866 5.545) 10.738 3.357 ( 2.954 1.260 4.443) 5.482 3.416 ( -11.534 -0.628 -0.234) 11.553 3.528 ( -10.558 -2.926 -0.724) 10.980 3.699 ( -1.775 6.019 -4.785) 7.892 3.885 ( 3.432 -5.180 -10.141) 11.893 4.070 ( 2.821 -0.931 2.626) 3.965 4.488 ( -3.513 4.194 1.644) 5.712 4.720 ( 1.223 -0.462 5.948) 6.090 4.916 ( 8.071 -0.571 -2.610) 8.502 5.078 ( -1.156 6.201 3.346) 7.140 5.422 ( -2.561 -5.783 -3.338) 7.151 5.647 ( -0.663 3.706 -3.064) 4.854 5.859 ( -0.632 -2.971 2.859) 4.171 6.454 ( 13.575 5.794 1.722) 14.860 6.837 ( 7.547 -4.894 -7.485) 11.702 7.288 ( 0.021 10.477 -4.963) 11.593 8.116 ( -7.999 2.989 1.247) 8.630 8.248 ( -0.837 -16.879 4.042) 17.376 8.699 ( -10.965 3.053 -8.862) 14.425 9.575 ( -0.402 1.963 -0.721) 2.129 9.854 ( 2.544 -0.871 -7.528) 7.993 9.995 ( 10.702 2.037 2.146) 11.104 10.332 ( 0.463 4.128 1.083) 4.293 10.478 ( 0.838 1.288 -2.147) 2.640 10.674 ( 2.682 0.364 5.562) 6.186 10.910 ( 4.026 -3.801 1.389) 5.708 11.162 ( 2.342 0.320 2.926) 3.762 11.391 ( 9.797 -4.829 -4.937) 11.987 11.619 ( -3.000 5.716 -0.476) 6.473 11.873 ( 0.531 1.214 -2.586) 2.906 12.111 ( -2.309 8.590 7.168) 11.424 12.322 ( -0.317 -4.265 4.528) 6.229 12.661 ( 3.919 -9.373 -8.507) 13.251 13.030 ( -14.556 -3.100 -0.382) 14.887 13.608 ( -11.138 7.540 0.181) 13.451 13.817 ( 2.522 -0.571 0.332) 2.607 14.399 ( 16.242 4.652 -3.517) 17.257 15.072 ( 3.916 0.393 -5.430) 6.706 15.348 ( 2.034 -9.056 1.122) 9.349 15.508 ( 2.369 8.293 8.363) 12.014 16.024 ( -11.708 9.888 -12.538) 19.800 16.569 ( 8.478 -13.546 6.611) 17.293 17.021 ( 5.122 5.583 -2.077) 7.856 17.848 ( -5.017 -3.151 2.652) 6.491 18.308 ( -11.267 4.234 0.153) 12.037 18.820 ( 3.672 -2.527 2.610) 5.166 19.007 ( -0.911 -6.781 5.635) 8.864 20.244 ( 0.532 3.487 0.699) 3.595 22.073 ( 1.500 0.649 -0.732) 1.791 ======================= Grid point 89 (42/90) ======================= q-point: (-0.25 0.25 0.12) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -13.016 -11.265 -0.181) 17.215 1.338 ( -20.574 -1.907 5.375) 21.350 2.105 ( -2.224 -1.070 7.005) 7.427 2.623 ( -6.337 -3.799 -5.110) 8.983 2.659 ( 3.001 1.850 0.648) 3.584 2.767 ( -7.143 -3.897 2.734) 8.584 2.961 ( 0.702 3.730 -3.676) 5.284 3.201 ( 1.056 -4.614 1.292) 4.907 3.288 ( -6.722 -0.300 -0.937) 6.794 3.427 ( 1.805 0.597 1.502) 2.423 3.535 ( 3.450 4.350 6.861) 8.827 3.688 ( 0.793 6.849 -2.120) 7.213 3.765 ( 1.960 -5.932 -5.215) 8.138 4.131 ( 4.454 -2.431 0.908) 5.155 4.440 ( -6.369 0.623 -0.686) 6.436 4.760 ( 2.605 -0.629 -3.911) 4.741 4.942 ( 3.954 -1.639 -4.082) 5.915 5.144 ( -2.769 6.762 2.703) 7.791 5.324 ( -0.621 -5.114 -0.878) 5.226 5.629 ( -0.813 2.852 -1.645) 3.391 5.847 ( -1.719 -3.292 1.524) 4.014 6.685 ( 15.949 -1.082 -6.468) 17.245 6.898 ( 8.632 4.613 8.825) 13.178 7.293 ( -0.625 11.279 -5.390) 12.516 8.055 ( -3.440 -4.591 -1.621) 5.962 8.200 ( -6.511 0.007 7.047) 9.594 8.438 ( -7.991 -3.653 -8.506) 12.229 9.592 ( 0.419 1.912 1.551) 2.497 9.788 ( 2.453 -1.004 -6.087) 6.639 10.184 ( 15.958 4.349 -5.414) 17.404 10.354 ( -3.116 3.632 0.450) 4.807 10.495 ( 1.367 -0.126 5.055) 5.238 10.735 ( -1.504 -0.571 1.090) 1.943 10.965 ( 9.810 -6.114 -1.958) 11.724 11.205 ( 5.149 -9.775 0.485) 11.059 11.516 ( 7.590 5.018 4.376) 10.096 11.674 ( 3.172 5.342 3.300) 7.035 11.823 ( -1.731 1.019 -3.713) 4.222 12.124 ( -6.596 1.221 -3.354) 7.499 12.363 ( -1.111 7.179 5.097) 8.874 12.550 ( -4.751 -0.321 -7.435) 8.829 12.921 ( -5.009 -11.808 14.176) 19.118 13.392 ( -21.232 -2.658 0.051) 21.398 13.921 ( 10.703 3.139 -1.731) 11.288 14.643 ( 18.996 9.515 -3.047) 21.463 15.073 ( 8.052 2.328 -6.892) 10.851 15.288 ( -1.674 -7.657 0.849) 7.884 15.753 ( -12.028 1.615 -6.904) 13.963 15.782 ( 3.358 14.929 7.754) 17.155 16.625 ( 2.229 -11.004 4.402) 12.060 17.109 ( 10.392 3.442 -3.940) 11.635 17.760 ( -11.027 -1.801 2.900) 11.543 18.131 ( -13.552 -5.707 -2.329) 14.888 18.830 ( 6.043 -7.680 0.555) 9.788 19.134 ( 1.100 0.501 9.750) 9.824 20.221 ( -2.726 5.379 -7.568) 9.677 22.092 ( 1.549 0.696 -0.350) 1.734 ======================= Grid point 90 (43/90) ======================= q-point: (-0.12 0.25 0.12) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( -12.014 3.994 14.377) 19.157 1.273 ( -14.991 -1.009 19.858) 24.901 2.147 ( -15.696 -8.765 18.599) 25.867 2.438 ( 2.519 0.285 -6.418) 6.901 2.679 ( 5.191 -0.869 -5.288) 7.461 2.776 ( -1.235 0.831 4.456) 4.698 2.897 ( -1.252 2.171 -6.904) 7.345 3.121 ( -2.504 -3.609 -6.678) 7.993 3.182 ( -4.634 0.512 -2.677) 5.376 3.477 ( 2.068 -0.967 0.874) 2.445 3.689 ( 5.598 -0.426 1.751) 5.881 3.742 ( 3.448 -0.360 1.606) 3.821 3.772 ( 0.585 8.620 3.146) 9.195 4.164 ( 2.956 -2.737 -1.424) 4.272 4.358 ( -2.979 -3.874 1.341) 5.067 4.654 ( -1.596 -0.958 -10.772) 10.932 4.883 ( 0.106 -2.268 -5.928) 6.348 5.153 ( -6.582 6.763 -1.440) 9.546 5.317 ( 3.077 -2.565 1.195) 4.181 5.648 ( -0.269 2.972 3.372) 4.503 5.831 ( -0.862 -3.663 2.920) 4.763 6.736 ( 13.040 -3.043 -7.141) 15.176 7.268 ( 8.534 5.623 5.250) 11.489 7.313 ( 5.847 12.854 1.077) 14.163 7.899 ( -5.805 -3.407 -5.339) 8.591 8.199 ( -6.973 -1.703 1.689) 7.374 8.346 ( 0.933 -0.349 9.387) 9.440 9.667 ( 3.108 1.834 3.929) 5.335 9.737 ( 2.439 -0.206 -4.645) 5.251 10.192 ( -0.244 0.592 -9.406) 9.428 10.414 ( 6.180 3.237 -1.242) 7.086 10.565 ( -4.035 8.515 -4.309) 10.362 10.767 ( 5.822 -5.086 8.111) 11.205 10.971 ( 10.723 -14.466 -4.217) 18.494 11.225 ( 7.603 -6.838 0.720) 10.252 11.659 ( 2.672 5.226 -1.178) 5.986 11.761 ( 1.210 1.359 -0.171) 1.828 11.890 ( 6.881 7.733 4.390) 11.244 12.000 ( -7.150 6.111 -1.718) 9.561 12.311 ( -10.706 -4.836 -8.279) 14.372 12.508 ( 1.675 7.331 7.818) 10.847 13.041 ( -8.468 -9.565 12.621) 17.958 13.096 ( -14.026 -8.268 8.277) 18.265 14.041 ( 8.556 3.222 -3.508) 9.793 14.908 ( 14.271 12.555 -4.738) 19.589 15.082 ( -3.941 3.772 -10.154) 11.526 15.204 ( 11.410 -7.789 -2.298) 14.005 15.655 ( 1.194 4.182 3.030) 5.301 15.978 ( -3.586 10.583 4.669) 12.110 16.618 ( -2.021 -2.888 2.771) 4.484 17.210 ( 9.850 -0.819 -3.477) 10.477 17.661 ( -11.491 -3.804 8.284) 14.668 17.798 ( -15.863 -11.240 -8.248) 21.118 18.904 ( 7.846 -3.149 2.511) 8.819 19.245 ( -0.197 -5.147 7.440) 9.049 20.027 ( -9.754 7.291 -15.245) 19.511 22.110 ( 1.136 0.521 -0.266) 1.277 ======================= Grid point 93 (44/90) ======================= q-point: ( 0.25 0.38 0.12) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( -1.791 -8.187 -4.401) 9.466 1.971 ( -1.262 -4.583 3.673) 6.007 2.169 ( -0.585 9.527 13.417) 16.466 2.313 ( 5.787 -8.274 3.526) 10.695 2.558 ( 4.878 -4.723 -1.062) 6.872 2.697 ( 1.844 0.473 -5.508) 5.828 2.934 ( 0.003 4.071 1.424) 4.313 3.039 ( -4.711 9.885 1.247) 11.021 3.355 ( 0.763 -14.304 -3.555) 14.759 3.599 ( 5.592 -2.727 0.363) 6.232 3.775 ( 0.792 -3.683 0.760) 3.843 3.844 ( 1.917 0.025 -4.403) 4.803 3.946 ( 4.462 -2.820 -2.762) 5.957 4.117 ( -1.072 5.325 17.864) 18.671 4.301 ( -2.125 5.108 -1.361) 5.698 4.408 ( 4.151 -0.547 8.211) 9.216 4.664 ( -11.977 2.053 -2.579) 12.423 4.827 ( -3.205 12.402 1.312) 12.877 5.650 ( -0.477 -5.566 -4.302) 7.050 5.694 ( 4.378 -2.755 4.902) 7.126 5.931 ( 0.409 5.331 -2.296) 5.818 6.338 ( 2.803 -7.102 -8.656) 11.542 6.946 ( -7.606 -5.777 -7.444) 12.109 7.290 ( -1.370 13.782 -6.489) 15.295 8.221 ( 6.705 -14.743 4.106) 16.708 8.529 ( 0.067 -3.791 9.312) 10.055 8.851 ( 5.204 -2.465 1.896) 6.063 9.662 ( 1.534 -0.404 -4.878) 5.130 9.750 ( -3.442 2.804 -0.759) 4.505 9.922 ( -5.389 7.521 -2.104) 9.489 10.123 ( -0.737 1.663 3.192) 3.674 10.273 ( -3.983 4.794 -2.889) 6.870 10.740 ( 0.433 -11.111 -0.353) 11.125 10.943 ( 12.235 -5.091 -6.652) 14.828 11.254 ( -4.643 2.962 -10.004) 11.419 11.532 ( 1.968 -3.892 -0.191) 4.366 11.629 ( -5.690 -0.462 -0.777) 5.762 11.802 ( 2.569 8.266 0.833) 8.697 11.919 ( 0.205 -6.192 -2.707) 6.761 12.259 ( -2.752 1.267 -0.074) 3.031 13.109 ( -2.035 9.438 10.211) 14.053 13.174 ( -0.210 -16.594 1.513) 16.664 13.543 ( 12.731 11.172 -8.269) 18.848 13.865 ( -2.124 0.084 -1.610) 2.666 14.123 ( -10.689 4.478 -3.837) 12.208 14.972 ( 3.858 -10.979 5.178) 12.737 15.460 ( 3.008 11.308 -7.518) 13.908 15.862 ( -6.548 -10.998 -6.976) 14.577 15.995 ( -1.380 4.665 -7.757) 9.156 16.480 ( -2.923 -0.599 5.014) 5.835 16.748 ( 1.216 11.514 2.724) 11.894 17.874 ( -4.020 -12.142 12.514) 17.894 18.137 ( 7.701 5.566 9.678) 13.563 18.714 ( 0.082 2.276 -13.621) 13.810 19.344 ( 4.271 -8.682 2.918) 10.107 19.961 ( -4.647 8.992 9.583) 13.938 22.075 ( -0.326 -0.003 -1.518) 1.553 ======================= Grid point 94 (45/90) ======================= q-point: ( 0.38 0.38 0.12) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 2.112 -17.466 -14.908) 23.060 2.067 ( -0.399 -1.736 4.624) 4.955 2.350 ( -5.280 2.052 7.941) 9.755 2.429 ( 3.451 2.037 9.313) 10.139 2.513 ( -3.101 -6.478 1.338) 7.306 2.732 ( 5.095 1.070 2.989) 6.003 2.893 ( -7.233 6.530 -2.427) 10.042 3.131 ( 0.776 7.258 4.954) 8.821 3.188 ( 1.408 -13.503 -7.281) 15.406 3.612 ( 5.750 -5.578 -4.987) 9.436 3.744 ( 1.963 -2.016 -4.013) 4.901 3.833 ( -1.890 4.210 -0.248) 4.621 3.895 ( 2.025 -4.264 -4.479) 6.508 4.326 ( -3.295 5.912 3.014) 7.409 4.362 ( -2.778 -4.051 3.238) 5.883 4.509 ( -3.979 5.121 13.673) 15.133 4.630 ( 6.185 4.482 4.112) 8.675 4.959 ( -0.185 12.438 4.938) 13.384 5.538 ( 0.680 -5.022 -5.848) 7.739 5.755 ( 2.777 -3.511 -0.676) 4.527 5.912 ( -5.643 3.820 0.013) 6.814 6.193 ( 2.436 -6.159 -7.988) 10.377 6.758 ( -0.815 -4.716 -5.617) 7.379 7.292 ( -0.934 14.014 -6.246) 15.371 8.213 ( 6.027 -16.936 0.437) 17.982 8.475 ( -7.191 -5.625 -0.449) 9.141 8.985 ( 1.994 5.100 2.790) 6.146 9.602 ( -0.833 -2.923 -1.658) 3.462 9.718 ( 0.982 1.410 1.131) 2.057 9.908 ( -1.697 6.026 -6.344) 8.913 10.201 ( 1.367 1.414 6.552) 6.841 10.284 ( 3.019 5.721 -1.279) 6.594 10.659 ( -1.479 -8.996 0.968) 9.168 10.937 ( 7.177 -7.746 -5.276) 11.804 11.093 ( -3.574 1.979 -5.841) 7.127 11.459 ( -8.887 1.187 -1.304) 9.061 11.661 ( 4.989 2.569 1.382) 5.779 11.774 ( -1.801 2.095 -2.474) 3.708 12.007 ( 9.090 -1.582 4.426) 10.233 12.197 ( -6.901 1.553 1.208) 7.176 12.930 ( -2.595 -13.620 -12.011) 18.344 13.328 ( 0.821 7.877 8.259) 11.443 13.567 ( 1.285 0.653 -7.540) 7.677 13.928 ( -1.845 7.156 3.145) 8.032 14.048 ( 3.226 3.295 -0.347) 4.624 15.014 ( 1.722 -5.518 3.938) 6.995 15.413 ( -4.658 7.984 -7.211) 11.724 15.591 ( -4.580 -7.479 -7.627) 11.622 15.979 ( 5.035 4.268 -2.898) 7.208 16.575 ( 0.681 4.924 2.922) 5.766 16.835 ( -0.208 -0.286 3.983) 3.998 17.882 ( -2.006 -10.774 7.269) 13.151 18.411 ( 4.390 5.427 11.491) 13.444 18.599 ( 1.747 6.710 -8.774) 11.183 19.282 ( -3.407 -15.234 0.981) 15.641 20.113 ( -0.455 9.459 5.928) 11.172 22.052 ( 0.027 0.215 -1.519) 1.535 ======================= Grid point 95 (46/90) ======================= q-point: (-0.50 0.38 0.12) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 1.377 -17.482 -9.835) 20.106 1.996 ( -8.177 0.738 -4.761) 9.491 2.297 ( -9.981 -6.366 0.905) 11.873 2.518 ( -1.744 2.927 9.611) 10.197 2.621 ( 6.938 2.554 1.206) 7.491 2.831 ( -4.807 2.907 7.097) 9.051 2.929 ( 4.266 1.779 7.463) 8.778 3.010 ( 2.477 -11.649 -7.653) 14.156 3.259 ( 1.480 4.420 5.176) 6.965 3.536 ( -0.778 -1.666 -5.627) 5.919 3.686 ( 6.359 -6.029 -8.017) 11.877 3.794 ( -5.420 -1.962 -1.297) 5.909 3.878 ( 0.389 7.418 -0.779) 7.469 4.167 ( -13.955 -4.823 1.438) 14.835 4.455 ( 5.801 5.417 0.393) 7.947 4.730 ( 0.131 2.278 10.302) 10.552 4.751 ( 3.330 0.879 -0.347) 3.461 5.110 ( -1.337 8.552 6.207) 10.651 5.441 ( 0.951 -4.445 -4.686) 6.529 5.684 ( -1.258 -0.937 -5.434) 5.656 5.891 ( -3.561 -0.186 3.446) 4.959 6.146 ( 9.152 -0.680 -5.167) 10.532 6.693 ( 2.993 -3.024 -2.148) 4.766 7.301 ( -0.698 14.178 -6.139) 15.466 8.150 ( 4.913 -16.074 -1.718) 16.895 8.343 ( -6.214 -0.569 -0.933) 6.310 8.943 ( -6.726 7.025 -10.307) 14.171 9.601 ( -1.239 -2.626 4.537) 5.387 9.790 ( 2.456 -0.216 -4.111) 4.793 9.826 ( 2.862 4.024 -1.799) 5.256 10.303 ( 1.742 -2.032 3.988) 4.803 10.373 ( 5.211 5.136 -0.391) 7.327 10.625 ( 0.943 -6.411 4.310) 7.783 10.866 ( -0.307 -6.337 -1.960) 6.640 11.092 ( 3.877 1.808 3.117) 5.293 11.341 ( -7.775 1.208 -1.446) 8.000 11.699 ( -0.744 2.739 -2.137) 3.553 11.803 ( 4.042 2.518 -0.838) 4.835 12.148 ( 2.751 2.003 2.597) 4.280 12.248 ( 2.240 1.938 10.995) 11.387 12.622 ( -1.579 -9.604 -14.517) 17.477 13.374 ( -9.709 0.154 0.042) 9.710 13.515 ( 3.794 2.495 -2.598) 5.231 14.008 ( 0.199 5.506 6.303) 8.372 14.113 ( 2.278 1.644 -4.492) 5.298 15.013 ( 0.344 0.117 -4.239) 4.254 15.342 ( -1.677 1.303 0.349) 2.153 15.466 ( 0.802 0.269 -1.655) 1.859 16.081 ( 6.358 8.213 -2.315) 10.641 16.568 ( -8.409 -2.311 3.005) 9.224 16.881 ( 5.710 -4.293 -0.441) 7.157 17.883 ( 0.435 -4.195 3.197) 5.292 18.523 ( -5.561 3.891 2.268) 7.156 18.707 ( 6.471 4.766 6.146) 10.118 19.095 ( -5.269 -16.347 -0.231) 17.177 20.229 ( 0.618 6.702 1.435) 6.881 22.042 ( 0.751 0.633 -1.099) 1.474 ======================= Grid point 96 (47/90) ======================= q-point: (-0.38 0.38 0.12) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -3.344 -10.191 0.312) 10.730 1.806 ( -13.881 2.023 -1.457) 14.103 2.149 ( -5.864 -4.155 0.101) 7.187 2.567 ( 2.415 5.776 -7.027) 9.412 2.732 ( -1.391 -1.427 5.266) 5.630 2.883 ( 3.571 -7.347 -2.540) 8.555 2.902 ( -1.795 -0.956 3.823) 4.330 3.097 ( 4.017 -3.215 7.535) 9.124 3.378 ( 0.852 3.489 3.263) 4.852 3.462 ( 0.545 -0.140 -0.359) 0.668 3.591 ( 1.783 -5.836 -6.954) 9.252 3.701 ( -3.361 4.222 -2.769) 6.066 3.909 ( -13.005 6.626 5.175) 15.486 4.011 ( -0.864 -5.888 -0.151) 5.952 4.530 ( 2.326 2.778 -3.763) 5.224 4.703 ( -0.170 -4.536 -3.575) 5.778 4.839 ( 2.330 0.713 1.303) 2.763 5.217 ( -2.830 5.454 5.905) 8.522 5.352 ( -0.630 -5.042 -3.234) 6.023 5.626 ( 1.133 1.915 -3.684) 4.303 5.885 ( -2.474 -0.405 1.199) 2.779 6.270 ( 14.846 1.564 -1.663) 15.021 6.734 ( 4.550 0.488 3.436) 5.722 7.315 ( -0.804 14.721 -6.192) 15.991 8.062 ( 3.174 -13.138 -2.450) 13.737 8.301 ( -2.733 3.556 1.387) 4.695 8.694 ( -10.071 4.322 -14.016) 17.792 9.619 ( -1.598 1.078 1.645) 2.534 9.728 ( 2.341 1.765 -5.735) 6.441 9.913 ( 4.592 2.223 -0.906) 5.181 10.354 ( 3.171 -5.142 4.334) 7.435 10.456 ( 2.248 3.085 0.934) 3.930 10.697 ( 3.538 -2.082 4.869) 6.369 10.812 ( 0.400 -7.798 1.424) 7.937 11.220 ( -6.820 -1.412 -1.988) 7.243 11.287 ( 8.969 2.053 9.304) 13.085 11.676 ( -1.076 2.921 -1.718) 3.556 11.826 ( 1.605 1.511 -3.699) 4.306 12.236 ( 0.266 1.110 3.584) 3.762 12.371 ( -0.836 -0.673 -5.361) 5.468 12.488 ( 5.453 1.909 5.343) 7.869 13.202 ( -13.503 -3.129 1.951) 13.997 13.594 ( 7.936 5.007 -1.495) 9.502 13.930 ( -14.009 -5.376 -2.190) 15.164 14.226 ( 12.557 7.221 0.760) 14.505 14.926 ( 2.240 1.419 -10.080) 10.423 15.358 ( -2.742 -3.272 6.168) 7.501 15.596 ( 10.097 14.279 -0.310) 17.491 16.083 ( -9.452 2.367 -3.483) 10.348 16.530 ( 0.851 -10.272 9.033) 13.706 16.893 ( 6.841 1.313 -7.242) 10.048 17.916 ( -0.385 0.244 2.605) 2.645 18.457 ( -10.840 -3.966 1.609) 11.654 18.761 ( -1.333 -9.825 0.412) 9.924 19.063 ( 4.063 -1.151 7.532) 8.635 20.257 ( -0.146 4.782 -4.391) 6.493 22.051 ( 1.380 1.006 -0.499) 1.779 ======================= Grid point 97 (48/90) ======================= q-point: (-0.25 0.38 0.12) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -8.961 3.751 11.857) 15.328 1.676 ( -14.417 1.928 8.315) 16.755 2.112 ( 3.659 0.847 -1.531) 4.056 2.523 ( 4.908 3.478 -10.709) 12.283 2.630 ( -6.233 -12.208 -1.195) 13.759 2.856 ( -0.108 0.825 -6.554) 6.606 2.912 ( -2.349 -2.589 5.171) 6.241 3.159 ( 2.094 -5.512 0.769) 5.946 3.352 ( -4.473 -2.737 -1.393) 5.426 3.495 ( -1.761 0.158 0.221) 1.782 3.587 ( 4.281 1.998 5.499) 7.249 3.712 ( -1.447 6.858 0.776) 7.052 3.817 ( -12.119 -1.002 8.667) 14.933 4.046 ( 5.308 1.949 -1.406) 5.827 4.426 ( -1.763 -4.680 -8.352) 9.735 4.638 ( 2.635 -4.347 -4.453) 6.758 4.855 ( 1.499 0.675 -3.103) 3.512 5.269 ( 0.788 -3.657 0.661) 3.799 5.297 ( -4.596 5.925 1.756) 7.702 5.629 ( 2.453 0.954 -0.499) 2.679 5.855 ( -2.306 -0.266 -0.108) 2.323 6.428 ( 11.793 -1.258 -2.175) 12.058 6.940 ( 10.240 5.037 9.153) 14.629 7.329 ( -1.183 16.004 -6.501) 17.315 7.974 ( 0.766 -9.540 -1.631) 9.708 8.300 ( -0.230 0.451 -7.993) 8.009 8.457 ( -9.286 5.874 0.316) 10.992 9.636 ( 0.160 1.208 2.135) 2.458 9.710 ( 0.102 4.253 -3.391) 5.440 9.972 ( 8.307 2.009 -4.266) 9.552 10.411 ( 1.149 -2.806 2.988) 4.257 10.546 ( 2.755 3.654 5.044) 6.810 10.761 ( 2.707 -1.315 -4.103) 5.088 10.785 ( -0.124 -10.609 6.070) 12.223 11.101 ( -1.730 -5.647 -1.026) 5.995 11.555 ( 6.562 1.373 8.404) 10.750 11.695 ( 3.774 1.788 1.545) 4.453 11.779 ( -0.017 2.753 -5.095) 5.791 12.195 ( -5.849 2.135 -1.986) 6.535 12.416 ( 6.271 2.650 1.719) 7.021 12.542 ( -5.544 3.957 -4.946) 8.417 13.139 ( -5.919 -5.258 14.308) 16.352 13.599 ( -17.499 -5.134 -0.598) 18.247 13.780 ( 9.361 3.447 -2.017) 10.177 14.476 ( 15.707 8.689 0.375) 17.954 14.842 ( 6.716 -2.599 -9.135) 11.632 15.381 ( -6.319 3.831 3.034) 7.988 15.753 ( -1.500 14.784 -13.499) 20.076 15.946 ( -0.509 -3.254 9.919) 10.452 16.613 ( 0.448 -11.134 9.767) 14.818 16.925 ( 10.661 7.023 -7.518) 14.815 17.912 ( -6.670 1.100 1.672) 6.963 18.221 ( -14.001 -15.807 0.551) 21.124 18.729 ( 3.151 -4.937 2.065) 6.210 19.216 ( 2.765 -1.793 7.073) 7.803 20.170 ( -2.120 4.294 -10.890) 11.896 22.075 ( 1.491 1.074 -0.094) 1.840 ======================= Grid point 98 (49/90) ======================= q-point: (-0.12 0.38 0.12) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -10.715 13.473 16.470) 23.825 1.709 ( -11.033 2.012 17.364) 20.670 2.193 ( 11.922 3.951 -5.574) 13.740 2.433 ( -8.523 -10.033 1.887) 13.299 2.455 ( 8.025 -1.013 -12.999) 15.310 2.782 ( 0.722 -1.292 -2.416) 2.833 2.890 ( -2.637 -3.266 -0.112) 4.199 3.125 ( -0.559 -4.777 -0.680) 4.858 3.248 ( -9.106 -0.168 2.378) 9.413 3.516 ( -1.838 1.289 4.298) 4.848 3.677 ( -0.292 -1.201 2.721) 2.989 3.753 ( -0.869 3.725 3.752) 5.358 3.874 ( 1.389 0.670 5.514) 5.725 4.073 ( 2.314 0.162 -5.045) 5.553 4.268 ( 2.492 -5.673 -6.903) 9.276 4.568 ( -2.338 -2.908 -1.399) 3.985 4.806 ( -0.418 2.717 -6.561) 7.113 5.246 ( -3.177 -0.419 -2.052) 3.805 5.310 ( -0.737 2.278 2.840) 3.715 5.700 ( 4.167 0.841 3.008) 5.208 5.831 ( -1.228 -0.150 0.159) 1.248 6.499 ( 7.928 -3.136 -3.188) 9.102 7.255 ( 10.850 3.786 6.370) 13.139 7.347 ( 0.400 16.203 -5.949) 17.265 7.897 ( -2.891 -2.856 -0.030) 4.064 8.139 ( 0.978 -5.363 -5.753) 7.926 8.528 ( -1.302 6.205 7.545) 9.856 9.698 ( -1.411 2.824 0.401) 3.182 9.724 ( 3.057 3.511 3.982) 6.126 10.002 ( 4.982 0.475 -7.013) 8.616 10.451 ( -0.548 2.645 2.209) 3.489 10.641 ( -3.158 3.910 -0.538) 5.054 10.646 ( 2.283 -5.007 -9.593) 11.059 10.807 ( 3.563 -12.020 7.911) 14.824 11.121 ( 5.569 -3.660 5.471) 8.622 11.645 ( 0.245 2.364 -2.600) 3.522 11.717 ( 3.023 1.805 -2.864) 4.539 11.897 ( 7.478 3.380 5.413) 9.831 12.120 ( -4.683 2.123 -0.617) 5.178 12.296 ( -11.228 2.463 -12.361) 16.880 12.577 ( 6.310 1.240 5.108) 8.213 13.278 ( -10.822 -5.843 11.520) 16.851 13.322 ( -10.558 -6.346 8.108) 14.747 13.906 ( 7.976 6.350 -3.932) 10.927 14.776 ( 15.838 11.637 0.577) 19.662 14.812 ( 13.568 -10.196 -6.609) 18.213 15.210 ( -16.607 3.339 -8.670) 19.029 15.710 ( 1.642 7.001 0.984) 7.258 16.121 ( 3.470 10.867 1.966) 11.576 16.638 ( -1.675 -7.786 5.496) 9.676 17.040 ( 10.470 4.318 -4.159) 12.065 17.784 ( -11.025 -3.481 -3.769) 12.160 17.951 ( -15.973 -14.250 8.802) 23.145 18.813 ( 8.208 -1.495 2.513) 8.713 19.267 ( -0.644 -6.139 1.870) 6.449 19.992 ( -4.954 4.398 -10.890) 12.747 22.098 ( 1.058 0.787 -0.130) 1.325 ======================= Grid point 101 (50/90) ======================= q-point: ( 0.25 -0.50 0.12) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 3.617 -16.488 -14.330) 22.143 2.033 ( 7.718 -7.892 2.544) 11.328 2.199 ( 9.330 0.142 -5.459) 10.811 2.441 ( 1.694 5.255 7.792) 9.550 2.489 ( -1.608 1.166 12.829) 12.982 2.736 ( -3.328 6.187 2.696) 7.525 2.933 ( 0.820 -0.726 -3.537) 3.703 3.168 ( -4.788 4.110 -2.714) 6.869 3.250 ( 0.966 -8.144 6.690) 10.584 3.486 ( 1.566 -3.708 -3.695) 5.464 3.659 ( 3.262 -2.799 -6.360) 7.676 3.736 ( 8.454 1.274 -1.997) 8.780 3.914 ( -2.505 -4.170 2.547) 5.491 4.191 ( 5.273 1.809 -6.405) 8.491 4.467 ( 4.128 2.609 8.815) 10.078 4.507 ( -4.263 2.487 13.719) 14.580 4.783 ( -10.990 -0.284 -3.061) 11.412 5.006 ( -2.314 10.130 4.845) 11.465 5.542 ( -0.234 -5.447 -5.042) 7.426 5.653 ( 3.660 -0.510 -0.822) 3.786 5.916 ( 3.223 1.129 1.194) 3.617 6.265 ( -6.638 -0.112 -1.856) 6.893 6.907 ( -8.739 -5.342 -8.031) 13.016 7.318 ( -1.138 15.013 -7.710) 16.915 8.043 ( 6.215 -14.007 -0.118) 15.325 8.590 ( -0.389 -6.257 3.795) 7.328 8.753 ( 13.170 1.859 1.311) 13.365 9.577 ( 0.784 -0.176 -3.938) 4.019 9.840 ( -7.748 2.494 -0.369) 8.148 10.027 ( -6.772 6.891 -3.633) 10.322 10.134 ( 3.416 -3.624 2.262) 5.470 10.336 ( -6.900 1.260 -1.519) 7.177 10.676 ( 1.351 -3.927 -1.022) 4.277 10.805 ( 1.719 -4.636 10.014) 11.168 11.214 ( -4.336 4.933 -8.959) 11.109 11.456 ( 4.252 -7.137 1.629) 8.466 11.672 ( -2.238 5.175 -1.449) 5.821 11.858 ( -0.373 5.465 1.430) 5.661 11.879 ( -2.875 -1.001 -3.393) 4.558 12.332 ( -3.717 2.333 1.375) 4.599 12.959 ( 0.661 -12.162 -14.208) 18.714 13.218 ( 9.946 -2.318 8.473) 13.270 13.453 ( 6.118 10.638 0.793) 12.297 13.826 ( 0.558 -2.429 -1.430) 2.873 14.275 ( -12.791 5.146 -3.542) 14.235 15.026 ( -3.158 -5.254 11.560) 13.085 15.355 ( 5.685 10.107 -9.861) 15.223 15.769 ( -5.139 -9.652 -6.114) 12.528 15.920 ( 3.013 11.694 -11.964) 16.999 16.576 ( -6.412 -10.988 5.974) 14.054 16.885 ( -1.067 11.090 5.609) 12.473 17.967 ( -3.009 -12.098 4.044) 13.106 18.156 ( 12.373 5.437 8.504) 15.967 18.645 ( -4.256 0.550 -1.266) 4.475 19.242 ( 5.895 -5.734 0.306) 8.229 20.171 ( -3.115 6.602 4.038) 8.343 22.066 ( -0.984 0.318 -1.176) 1.566 ======================= Grid point 102 (51/90) ======================= q-point: ( 0.38 -0.50 0.12) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 0.519 -16.066 -7.120) 17.581 2.078 ( 0.712 -3.417 1.432) 3.773 2.301 ( 15.367 0.364 -5.079) 16.189 2.508 ( -4.975 1.170 3.873) 6.412 2.653 ( -4.515 -0.011 12.334) 13.135 2.810 ( 4.629 -7.285 -5.849) 10.427 2.847 ( 2.939 5.433 0.958) 6.251 3.055 ( -7.758 -1.547 -0.096) 7.911 3.305 ( -2.548 -0.152 4.862) 5.491 3.470 ( 3.910 -2.139 0.305) 4.467 3.575 ( 1.397 -1.423 -7.517) 7.777 3.826 ( 2.549 4.786 -1.540) 5.637 3.911 ( -1.298 -3.236 3.886) 5.221 4.198 ( 9.941 -1.355 -5.592) 11.486 4.527 ( -9.947 -0.698 -0.384) 9.979 4.644 ( 5.207 4.781 3.120) 7.727 4.747 ( -1.726 2.732 9.061) 9.620 5.143 ( -0.872 8.310 7.406) 11.165 5.426 ( -0.493 -4.838 -4.378) 6.544 5.655 ( 2.578 0.065 -4.925) 5.559 5.961 ( 1.801 -1.172 0.195) 2.157 6.129 ( -9.651 -0.686 -1.180) 9.747 6.703 ( -3.889 -3.176 -3.534) 6.140 7.317 ( -0.384 15.916 -7.861) 17.755 8.000 ( 5.538 -13.262 -1.891) 14.495 8.466 ( -2.941 -5.420 -4.869) 7.857 8.959 ( 6.738 7.778 -4.933) 11.412 9.584 ( 2.832 -3.601 4.543) 6.452 9.751 ( -3.241 1.809 -1.031) 3.853 9.908 ( -7.422 4.973 -7.981) 11.980 10.225 ( 4.646 -2.866 5.173) 7.521 10.298 ( -0.486 1.165 2.121) 2.468 10.648 ( -1.786 -5.212 2.784) 6.173 10.911 ( -3.028 -5.760 11.392) 13.120 11.079 ( -3.535 3.294 -5.389) 7.238 11.529 ( 2.943 -1.378 1.928) 3.778 11.635 ( -2.603 5.922 -4.428) 7.839 11.784 ( -2.358 1.682 -1.837) 3.430 11.973 ( 5.589 1.068 4.324) 7.146 12.308 ( -3.388 2.519 2.281) 4.799 12.664 ( -0.541 -10.147 -15.355) 18.413 13.414 ( 6.201 -1.484 6.096) 8.821 13.527 ( -3.697 5.456 -2.185) 6.943 13.947 ( 9.878 2.853 6.129) 11.970 14.101 ( -8.261 2.905 -4.415) 9.807 15.066 ( -4.615 -1.397 2.746) 5.549 15.337 ( 4.517 9.580 -12.258) 16.200 15.520 ( -6.109 -7.109 -3.242) 9.918 15.969 ( 2.868 8.568 -0.812) 9.072 16.593 ( 4.487 -4.368 4.528) 7.728 16.925 ( -7.929 -0.245 2.165) 8.223 17.896 ( -1.186 -6.610 0.850) 6.769 18.471 ( 11.448 5.908 8.131) 15.234 18.634 ( -3.997 0.654 6.258) 7.454 19.190 ( -0.895 -13.268 -2.116) 13.466 20.219 ( -0.064 6.983 -1.237) 7.092 22.042 ( -0.758 0.633 -1.010) 1.412 ======================= Grid point 103 (52/90) ======================= q-point: (-0.50 0.50 0.12) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -1.302 -7.963 3.766) 8.904 2.028 ( -4.386 0.821 -3.463) 5.649 2.366 ( -2.063 -4.511 -3.753) 6.220 2.445 ( 2.170 4.010 -5.953) 7.498 2.707 ( 8.646 -11.387 0.108) 14.298 2.783 ( -1.610 -0.451 4.868) 5.147 2.959 ( -2.937 -3.651 1.590) 4.948 3.014 ( 3.112 2.524 6.952) 8.024 3.329 ( 1.523 -2.127 1.636) 3.086 3.477 ( -2.164 -0.717 -4.633) 5.164 3.546 ( 0.441 3.183 4.835) 5.805 3.846 ( -3.806 -0.539 -0.866) 3.940 3.869 ( -0.671 6.189 -3.562) 7.173 4.267 ( 6.682 -3.799 0.503) 7.703 4.412 ( -4.801 2.288 -2.392) 5.832 4.723 ( 0.985 0.828 -2.174) 2.527 4.824 ( -0.170 -2.711 2.571) 3.740 5.283 ( -1.820 4.440 6.081) 7.746 5.353 ( 0.313 -2.753 -1.074) 2.971 5.595 ( 0.654 0.833 -5.752) 5.849 5.968 ( 4.891 -0.644 -1.936) 5.299 6.032 ( -6.958 1.762 2.792) 7.702 6.664 ( 0.716 -0.311 1.984) 2.132 7.328 ( -0.055 16.640 -7.769) 18.364 7.943 ( 4.623 -11.348 -2.340) 12.475 8.353 ( -0.944 -0.017 -4.510) 4.608 8.882 ( -3.177 7.528 -14.617) 16.745 9.647 ( -0.473 -1.577 2.082) 2.654 9.729 ( -2.598 1.677 -5.052) 5.923 9.818 ( 2.738 5.422 0.867) 6.136 10.300 ( 0.505 -7.094 4.492) 8.412 10.374 ( 3.456 2.831 4.017) 6.008 10.660 ( -1.544 -5.301 8.454) 10.097 10.928 ( -8.085 -7.536 7.882) 13.575 11.081 ( 5.857 2.015 2.493) 6.677 11.470 ( -10.157 5.114 -2.484) 11.640 11.626 ( 5.334 -1.986 -4.303) 7.135 11.784 ( 0.663 3.264 -0.304) 3.344 12.103 ( 6.626 -2.787 1.959) 7.450 12.393 ( 1.604 6.688 -1.168) 6.976 12.423 ( -1.013 -3.375 -1.195) 3.721 13.473 ( -3.602 -2.629 2.682) 5.204 13.490 ( -1.832 3.359 -1.924) 4.283 13.990 ( 1.053 4.485 -4.698) 6.580 14.162 ( 1.048 -0.082 6.618) 6.701 14.950 ( -3.837 0.280 -8.935) 9.727 15.320 ( 7.340 9.781 -9.076) 15.229 15.451 ( -2.534 -3.206 5.262) 6.662 16.112 ( 3.572 6.719 5.983) 9.679 16.682 ( 3.094 0.669 1.109) 3.354 16.760 ( -8.380 -8.235 -3.406) 12.232 17.877 ( 1.266 -3.157 1.652) 3.781 18.665 ( -4.161 -0.419 6.033) 7.341 18.763 ( 4.145 1.885 9.836) 10.839 19.004 ( -1.670 -13.678 -3.227) 14.153 20.232 ( 1.973 4.679 -5.625) 7.578 22.032 ( -0.063 1.163 -0.497) 1.266 ======================= Grid point 105 (53/90) ======================= q-point: (-0.38 0.50 0.12) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -2.980 4.124 14.043) 14.936 1.915 ( -4.454 1.005 -3.861) 5.980 2.184 ( -7.190 -3.118 -4.529) 9.052 2.417 ( 4.084 3.763 -11.740) 12.987 2.706 ( 2.102 -11.645 1.523) 11.931 2.782 ( 2.591 -5.606 -2.442) 6.642 2.996 ( -1.729 0.041 7.907) 8.094 3.122 ( 0.489 -2.345 2.930) 3.785 3.346 ( 0.893 -3.810 -2.726) 4.769 3.412 ( 3.553 -0.148 0.202) 3.562 3.647 ( -4.070 7.151 7.237) 10.958 3.753 ( -4.952 4.330 -1.407) 6.727 3.918 ( 3.820 4.275 -1.028) 5.825 4.261 ( -13.717 -2.114 6.418) 15.291 4.352 ( 8.031 -3.200 -10.052) 13.258 4.613 ( -1.652 -5.845 -6.178) 8.664 4.821 ( 1.612 -2.577 -0.683) 3.115 5.250 ( -0.336 -5.385 -2.571) 5.977 5.414 ( -3.678 5.045 6.448) 8.975 5.552 ( 2.345 1.531 -4.388) 5.206 5.976 ( -6.246 2.902 1.511) 7.051 6.114 ( 10.829 2.530 2.278) 11.351 6.758 ( 4.171 2.060 5.981) 7.577 7.349 ( -0.128 17.865 -7.658) 19.437 7.894 ( 3.874 -9.832 -1.002) 10.615 8.300 ( 0.518 3.868 -6.724) 7.775 8.675 ( -6.457 5.458 -10.175) 13.229 9.641 ( -0.528 1.179 -2.449) 2.769 9.690 ( 0.232 8.278 -0.972) 8.338 9.886 ( 1.126 1.988 -0.622) 2.368 10.314 ( 2.772 -7.538 3.824) 8.896 10.489 ( 2.378 0.297 4.024) 4.683 10.742 ( -1.098 -2.747 9.401) 9.856 10.848 ( -6.320 -10.736 5.590) 13.654 11.256 ( 0.699 2.717 1.256) 3.074 11.367 ( -1.040 1.380 5.251) 5.528 11.606 ( 4.387 -1.638 -4.495) 6.491 11.800 ( -0.956 5.137 -2.647) 5.857 12.178 ( 9.621 -4.232 0.983) 10.556 12.302 ( -2.219 -0.729 -3.343) 4.079 12.588 ( 1.350 8.579 3.270) 9.280 13.370 ( -10.166 -3.430 2.976) 11.134 13.544 ( 4.868 6.092 1.382) 7.920 13.962 ( -2.246 0.823 -6.223) 6.666 14.216 ( -0.373 -0.646 6.144) 6.189 14.779 ( -1.147 -0.361 -10.046) 10.118 15.454 ( 12.576 10.643 -3.236) 16.789 15.498 ( 0.207 5.755 1.698) 6.003 16.198 ( -8.140 -7.087 3.698) 11.409 16.607 ( -1.869 -0.831 5.075) 5.472 16.723 ( 4.504 2.285 -5.261) 7.293 17.921 ( 3.737 -2.459 2.574) 5.161 18.531 ( -10.611 -16.353 -2.199) 19.617 18.798 ( -6.072 -2.112 5.824) 8.675 19.086 ( 7.553 0.896 7.697) 10.821 20.170 ( 1.681 1.919 -10.625) 10.927 22.044 ( 0.676 1.555 0.042) 1.696 ======================= Grid point 106 (54/90) ======================= q-point: (-0.25 0.50 0.12) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -6.379 12.961 17.554) 22.734 1.865 ( 2.884 1.555 -2.795) 4.306 2.044 ( -4.301 -1.789 -1.642) 4.939 2.292 ( 4.089 -0.464 -14.529) 15.101 2.635 ( -5.866 -7.042 1.913) 9.362 2.744 ( 3.012 -4.614 -1.733) 5.776 2.985 ( -5.779 -3.676 -1.487) 7.008 3.111 ( -0.111 -2.020 -0.472) 2.077 3.308 ( 1.621 -1.784 0.459) 2.454 3.516 ( 5.569 -0.612 3.442) 6.575 3.714 ( -5.945 4.444 5.231) 9.081 3.773 ( 0.530 4.724 1.222) 4.908 3.964 ( -0.325 -4.687 1.895) 5.066 4.068 ( -5.459 0.992 -10.802) 12.143 4.284 ( -2.709 -4.628 0.926) 5.442 4.542 ( 2.451 -4.375 1.117) 5.138 4.799 ( 0.893 0.148 -3.976) 4.077 5.192 ( 2.480 -5.906 -0.859) 6.463 5.438 ( -5.084 5.324 -0.892) 7.416 5.585 ( 3.932 0.687 2.111) 4.516 5.928 ( -6.237 2.738 0.613) 6.839 6.298 ( 8.492 1.242 2.301) 8.885 6.964 ( 9.006 4.403 7.555) 12.552 7.374 ( -0.813 19.164 -8.206) 20.863 7.875 ( 3.477 -9.367 1.932) 10.177 8.188 ( -3.254 4.004 -10.976) 12.128 8.584 ( -2.314 5.338 -0.592) 5.848 9.636 ( 2.535 2.512 -0.888) 3.677 9.761 ( -2.109 9.699 0.136) 9.927 9.906 ( 1.647 1.555 1.561) 2.751 10.354 ( 4.831 -6.997 1.827) 8.697 10.532 ( 4.759 -5.364 -2.214) 7.504 10.772 ( -7.565 -0.915 6.116) 9.771 10.860 ( -1.137 -4.511 9.967) 10.999 11.144 ( -8.035 0.241 -0.686) 8.068 11.554 ( 6.040 -2.067 3.455) 7.259 11.651 ( 6.107 1.669 1.759) 6.571 11.782 ( -0.905 4.969 -0.814) 5.116 12.203 ( -1.693 -0.587 -5.519) 5.803 12.337 ( 10.795 -1.139 3.374) 11.367 12.562 ( -6.993 5.854 -9.641) 13.271 13.336 ( -3.239 -5.519 9.582) 11.522 13.709 ( 5.425 9.867 1.517) 11.362 13.778 ( -12.736 -3.769 -0.994) 13.319 14.345 ( 10.679 1.518 0.776) 10.814 14.666 ( 1.644 -1.225 -4.586) 5.024 15.535 ( -5.619 8.796 -0.872) 10.474 15.647 ( 9.690 15.444 -9.068) 20.363 16.014 ( -4.857 -13.123 4.064) 14.571 16.694 ( -0.736 -4.977 2.620) 5.672 16.788 ( 6.737 9.673 2.747) 12.104 17.979 ( 0.017 0.695 0.479) 0.844 18.222 ( -7.478 -24.157 0.532) 25.293 18.783 ( -6.658 0.288 4.571) 8.082 19.256 ( 2.075 -1.577 6.301) 6.819 20.021 ( 1.589 0.526 -13.771) 13.873 22.069 ( 0.965 1.506 0.272) 1.809 ======================= Grid point 107 (55/90) ======================= q-point: (-0.12 -0.50 0.12) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( -8.558 13.696 14.037) 21.398 1.901 ( 12.714 0.237 -8.855) 15.496 2.025 ( -0.225 -0.643 2.910) 2.989 2.158 ( 3.076 -1.991 -7.439) 8.293 2.506 ( -9.712 -0.555 -1.213) 9.803 2.764 ( 1.074 -2.403 4.027) 4.811 2.866 ( -1.426 -6.497 -0.407) 6.664 3.052 ( -0.573 -2.549 -5.273) 5.885 3.340 ( -0.044 2.925 0.600) 2.986 3.614 ( 2.364 -1.954 4.183) 5.187 3.677 ( 2.716 -10.698 -5.990) 12.558 3.767 ( 0.800 -3.373 0.070) 3.468 3.927 ( -5.537 5.839 5.339) 9.657 3.977 ( 0.671 -0.151 -4.998) 5.045 4.259 ( -5.071 -1.661 6.266) 8.230 4.590 ( -0.393 -3.355 3.670) 4.988 4.748 ( 0.799 6.084 -5.634) 8.330 5.199 ( 3.046 -5.820 1.591) 6.759 5.382 ( -2.852 2.859 -2.031) 4.520 5.672 ( 2.648 0.783 2.105) 3.472 5.881 ( -3.764 2.586 -0.756) 4.629 6.399 ( 3.129 -0.862 1.290) 3.493 7.232 ( 10.588 3.780 6.431) 12.952 7.377 ( -1.608 18.499 -9.820) 21.006 7.901 ( 3.181 -8.517 5.087) 10.418 8.027 ( -2.699 2.751 -7.978) 8.860 8.638 ( 1.270 3.751 3.150) 5.061 9.713 ( 5.044 2.893 0.104) 5.816 9.782 ( -3.339 4.081 2.024) 5.649 9.983 ( -0.202 5.190 3.516) 6.272 10.365 ( 6.237 -8.235 -3.429) 10.884 10.495 ( 2.782 -4.344 -2.377) 5.680 10.760 ( -6.769 5.015 1.442) 8.547 10.860 ( -9.685 -4.440 4.616) 11.612 11.173 ( 2.847 0.274 9.555) 9.974 11.608 ( -1.760 -1.616 -4.821) 5.380 11.653 ( 4.629 2.727 -1.162) 5.497 11.906 ( 4.766 2.024 4.523) 6.875 12.135 ( -0.690 -1.399 -1.439) 2.122 12.286 ( -10.098 7.463 -15.243) 19.748 12.510 ( 9.815 -2.489 2.108) 10.343 13.401 ( 2.471 -6.887 4.557) 8.620 13.562 ( -15.746 -6.728 5.020) 17.843 13.866 ( 2.615 11.238 -0.489) 11.548 14.480 ( 13.038 -4.627 -4.001) 14.401 14.729 ( 7.548 4.959 4.631) 10.149 15.350 ( -16.825 4.948 -8.001) 19.276 15.735 ( 3.021 8.600 -1.471) 9.233 16.085 ( 10.776 5.032 -0.625) 11.909 16.683 ( 1.021 -3.490 0.092) 3.637 16.954 ( 1.379 4.098 4.118) 5.972 17.834 ( -9.435 -5.935 -4.456) 12.004 18.110 ( -3.442 -18.535 11.507) 22.086 18.780 ( -0.218 3.010 1.103) 3.213 19.240 ( -3.975 -4.427 -3.781) 7.049 19.915 ( 3.077 1.093 -4.652) 5.684 22.093 ( 0.643 1.080 0.065) 1.259 ======================= Grid point 111 (56/90) ======================= q-point: ( 0.25 -0.38 0.12) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 8.747 -15.536 -5.511) 18.662 1.782 ( 22.671 -2.413 -3.341) 23.043 2.033 ( 3.140 -3.548 0.883) 4.820 2.577 ( -1.976 6.817 3.389) 7.865 2.705 ( -2.945 -0.423 9.505) 9.959 2.781 ( 1.502 2.727 -6.961) 7.626 2.885 ( -3.826 -4.778 -0.230) 6.125 3.191 ( -1.364 -5.855 2.540) 6.526 3.315 ( 2.021 2.752 3.770) 5.086 3.422 ( 1.699 -0.933 -1.001) 2.181 3.533 ( 5.567 0.038 -5.559) 7.867 3.620 ( 3.661 1.111 1.963) 4.300 3.934 ( -2.529 -2.852 -1.397) 4.060 4.086 ( 0.390 -0.177 -1.147) 1.224 4.488 ( 5.781 3.139 1.920) 6.853 4.701 ( -3.757 -0.931 4.839) 6.196 4.878 ( -8.199 0.087 -1.390) 8.316 5.127 ( 2.358 6.411 3.055) 7.483 5.434 ( 1.489 -6.031 -3.026) 6.910 5.619 ( -0.587 3.452 -2.337) 4.210 5.901 ( 3.102 -1.759 2.428) 4.314 6.439 ( -13.613 4.986 4.970) 15.325 6.862 ( -7.266 -4.175 -8.291) 11.788 7.319 ( 0.058 13.800 -9.166) 16.567 7.898 ( 2.014 -10.583 1.399) 10.863 8.468 ( 4.156 -9.053 -9.456) 13.735 8.655 ( 13.584 5.427 6.307) 15.930 9.542 ( -0.122 0.453 -0.244) 0.528 9.931 ( -6.414 5.430 -7.865) 11.510 10.062 ( -3.568 0.095 1.198) 3.765 10.168 ( -4.581 0.153 3.229) 5.607 10.415 ( -6.776 -0.981 -1.146) 6.942 10.656 ( 0.235 -1.380 2.962) 3.277 11.014 ( -3.437 0.026 16.408) 16.764 11.189 ( -1.065 2.253 -2.592) 3.596 11.408 ( -1.932 -4.597 1.624) 5.245 11.712 ( -0.498 9.754 -4.771) 10.870 11.850 ( -1.380 0.683 -5.261) 5.482 11.938 ( -2.937 -0.917 4.738) 5.650 12.372 ( -0.398 1.161 -3.385) 3.601 12.640 ( 2.029 -10.577 -14.329) 17.925 13.175 ( 10.970 -1.798 8.396) 13.931 13.435 ( 14.992 3.112 7.926) 17.242 13.827 ( -6.672 0.426 -2.229) 7.047 14.436 ( -15.749 6.508 -5.869) 18.023 15.196 ( 1.290 4.893 -2.534) 5.659 15.267 ( -6.887 -2.359 4.092) 8.351 15.661 ( -3.648 -10.474 -7.345) 13.302 15.787 ( 10.725 15.523 -6.741) 20.036 16.622 ( -5.407 -12.935 1.878) 14.145 17.093 ( -4.585 11.658 6.123) 13.944 17.878 ( 4.339 -5.684 -3.012) 7.759 18.157 ( 11.000 -0.829 9.286) 14.419 18.770 ( -6.536 -2.069 8.259) 10.734 19.131 ( 4.810 -3.320 -0.852) 5.907 20.234 ( -0.927 3.328 -4.365) 5.566 22.074 ( -1.494 0.652 -0.622) 1.745 ======================= Grid point 112 (57/90) ======================= q-point: ( 0.38 -0.38 0.12) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 1.321 -6.657 6.964) 9.724 2.012 ( 19.218 1.071 -3.672) 19.595 2.070 ( 1.539 -3.128 3.933) 5.255 2.514 ( 0.242 -4.745 -15.946) 16.638 2.643 ( -6.225 0.798 2.804) 6.874 2.836 ( -0.944 0.027 4.268) 4.371 2.887 ( 3.599 -0.277 2.773) 4.552 3.080 ( -4.303 -7.678 -0.436) 8.812 3.317 ( -0.979 -1.480 -2.418) 2.999 3.513 ( 3.561 4.145 6.085) 8.179 3.565 ( -0.656 3.072 2.550) 4.046 3.804 ( 11.398 3.533 1.532) 12.031 3.896 ( 0.998 -2.455 1.498) 3.044 4.029 ( -1.744 -2.079 -4.503) 5.258 4.580 ( -2.808 1.632 -3.298) 4.629 4.639 ( 1.953 0.622 -0.290) 2.070 4.826 ( -0.839 -2.131 0.203) 2.299 5.269 ( 3.550 5.828 4.497) 8.172 5.354 ( -0.735 -5.604 -1.725) 5.910 5.608 ( -1.361 4.112 -2.218) 4.867 5.913 ( 0.248 -4.537 -0.887) 4.629 6.333 ( -14.742 3.841 2.873) 15.503 6.707 ( -4.120 -0.445 -0.004) 4.144 7.311 ( 1.335 15.113 -9.114) 17.699 7.865 ( 1.168 -7.764 0.801) 7.893 8.331 ( 3.069 -5.628 -8.049) 10.290 8.832 ( 6.468 7.674 -8.103) 12.899 9.606 ( 2.457 -1.425 6.339) 6.947 9.773 ( -4.222 3.468 -5.707) 7.900 9.977 ( -10.345 7.317 -5.428) 13.784 10.227 ( 4.011 -4.163 7.255) 9.277 10.368 ( -2.871 0.127 3.678) 4.667 10.701 ( 0.005 -3.421 6.082) 6.978 11.080 ( -6.395 -2.649 2.711) 7.434 11.169 ( -8.786 -1.739 10.685) 13.942 11.443 ( 6.017 -6.692 1.577) 9.136 11.671 ( -3.618 10.116 -7.597) 13.158 11.793 ( -0.480 2.731 -2.058) 3.453 11.984 ( 1.658 -0.790 3.374) 3.841 12.332 ( 3.535 2.499 -7.327) 8.510 12.443 ( -0.866 -5.677 -2.541) 6.280 13.386 ( 8.530 -2.813 7.082) 11.438 13.620 ( -7.377 4.738 -1.182) 8.846 13.907 ( 15.260 2.304 8.350) 17.547 14.185 ( -13.345 4.227 -6.503) 15.435 15.102 ( -6.175 -4.647 -8.926) 11.806 15.190 ( 1.267 9.238 -8.460) 12.591 15.553 ( -4.220 -6.569 5.250) 9.408 15.969 ( 8.486 11.307 0.710) 14.155 16.549 ( 1.609 -7.531 2.261) 8.026 17.076 ( -11.356 1.062 -0.269) 11.409 17.857 ( 1.529 -2.706 -0.163) 3.112 18.458 ( 13.816 4.353 7.421) 16.276 18.825 ( -5.058 -3.291 13.260) 14.568 19.064 ( -1.301 -12.334 -4.017) 13.036 20.168 ( 2.524 3.953 -9.509) 10.602 22.053 ( -1.398 1.041 -0.379) 1.784 ======================= Grid point 113 (58/90) ======================= q-point: ( 0.50 -0.38 0.12) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( -2.952 4.454 15.284) 16.191 2.023 ( -5.116 0.148 -7.402) 8.999 2.200 ( 11.810 1.870 -3.681) 12.511 2.269 ( 4.667 -8.817 -10.959) 14.819 2.652 ( -2.386 -0.604 5.477) 6.005 2.741 ( 0.255 -9.399 -7.717) 12.163 2.992 ( 3.718 -1.367 6.154) 7.318 3.093 ( 0.498 -0.143 6.314) 6.335 3.271 ( 0.709 -2.752 -1.147) 3.064 3.563 ( -8.373 4.073 0.605) 9.331 3.687 ( 1.198 5.537 8.070) 9.860 3.856 ( -1.735 1.570 -0.593) 2.414 3.909 ( -3.056 3.133 -4.544) 6.309 4.041 ( 14.849 -3.136 -1.729) 15.275 4.476 ( -4.732 -1.683 -0.451) 5.043 4.641 ( 1.121 -3.048 -6.772) 7.511 4.780 ( 0.961 -5.801 -1.837) 6.161 5.289 ( -1.707 -4.836 -0.946) 5.215 5.404 ( 4.071 4.341 1.741) 6.200 5.589 ( -3.976 4.370 0.365) 5.920 5.865 ( 3.574 -2.342 -1.808) 4.639 6.251 ( -10.893 4.645 4.665) 12.728 6.720 ( -1.923 2.526 5.198) 6.091 7.325 ( 1.926 16.007 -8.687) 18.314 7.837 ( 0.123 -5.399 1.206) 5.534 8.250 ( 3.606 -0.236 -6.906) 7.794 8.762 ( -0.313 6.602 -12.649) 14.272 9.656 ( -0.360 1.558 -0.859) 1.815 9.728 ( -1.549 1.490 -1.574) 2.665 9.885 ( -4.110 9.285 -0.996) 10.203 10.332 ( -1.842 -6.173 6.300) 9.011 10.408 ( 2.915 0.828 4.349) 5.300 10.780 ( 0.750 -8.234 9.515) 12.605 11.044 ( -4.526 1.208 1.741) 4.997 11.129 ( -4.273 -7.197 7.250) 11.073 11.479 ( 4.284 -4.137 -0.209) 5.959 11.574 ( -6.948 6.136 -5.546) 10.802 11.811 ( -0.164 5.290 -0.297) 5.301 12.017 ( 2.819 -3.832 -0.002) 4.757 12.293 ( 3.265 -1.812 -2.891) 4.722 12.514 ( 3.433 7.711 4.122) 9.393 13.521 ( 0.285 -1.335 2.352) 2.720 13.543 ( -3.811 2.432 2.277) 5.061 13.920 ( -1.889 -0.313 -9.950) 10.133 14.280 ( 2.898 5.943 11.678) 13.420 14.867 ( -4.722 -2.266 -9.971) 11.263 15.155 ( 4.924 8.319 -9.543) 13.584 15.549 ( -2.492 -2.377 5.279) 6.303 16.184 ( 6.817 2.151 6.619) 9.743 16.575 ( 3.563 2.931 -2.348) 5.176 16.878 ( -12.733 -3.048 -1.174) 13.145 17.856 ( 0.745 -4.429 1.491) 4.733 18.730 ( 2.566 0.648 3.725) 4.570 18.837 ( 2.697 -13.554 -5.373) 14.828 18.951 ( -3.385 -2.323 15.182) 15.728 20.096 ( 3.827 2.516 -11.222) 12.121 22.046 ( -0.811 1.553 0.037) 1.752 ======================= Grid point 114 (59/90) ======================= q-point: (-0.38 -0.38 0.12) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( -2.628 11.702 17.018) 20.820 1.790 ( 0.518 -5.847 -13.783) 14.981 2.148 ( -1.116 -2.270 -6.538) 7.011 2.230 ( 2.558 2.500 -8.435) 9.162 2.620 ( 5.403 -9.868 -1.010) 11.296 2.714 ( -1.480 -2.320 6.031) 6.629 3.087 ( 1.294 -3.498 2.960) 4.761 3.158 ( -2.248 0.864 1.187) 2.685 3.284 ( 3.696 -3.578 3.430) 6.182 3.440 ( -7.589 3.111 -2.072) 8.459 3.804 ( -1.022 0.095 -3.417) 3.568 3.821 ( -2.595 5.211 1.851) 6.108 3.912 ( 4.154 5.327 -1.785) 6.987 4.099 ( 2.498 -3.185 -3.881) 5.608 4.358 ( -2.321 -8.042 -4.105) 9.323 4.551 ( -1.862 -2.609 3.186) 4.519 4.736 ( 3.197 -5.139 -2.292) 6.471 5.193 ( -2.715 -6.381 -1.872) 7.183 5.469 ( 3.623 2.009 -3.382) 5.348 5.585 ( -5.118 4.585 3.327) 7.634 5.958 ( 9.039 2.381 -0.389) 9.355 6.241 ( -8.685 5.966 7.351) 12.847 6.823 ( 1.509 3.379 6.583) 7.552 7.359 ( 2.140 17.569 -8.528) 19.646 7.820 ( -0.308 -5.377 2.259) 5.841 8.217 ( 1.899 4.305 -6.064) 7.676 8.635 ( -1.607 4.595 -8.512) 9.805 9.627 ( -1.547 2.560 -2.759) 4.069 9.758 ( 1.859 8.660 0.985) 8.912 9.900 ( -0.846 4.296 -0.671) 4.430 10.307 ( -2.749 -6.565 3.750) 8.045 10.482 ( 0.360 -4.109 0.572) 4.164 10.824 ( 3.017 -12.239 7.148) 14.491 11.011 ( -9.327 2.933 8.528) 12.974 11.286 ( 8.788 1.838 6.877) 11.309 11.438 ( -5.245 2.353 -3.447) 6.703 11.497 ( 1.454 -2.018 0.268) 2.502 11.827 ( -1.199 6.997 -2.921) 7.676 12.066 ( 5.588 -3.312 2.780) 7.066 12.258 ( -0.105 -4.986 -1.772) 5.293 12.639 ( 1.075 8.959 -2.867) 9.468 13.472 ( -5.929 -7.478 1.930) 9.736 13.601 ( 1.238 8.590 4.043) 9.574 13.830 ( 5.919 0.412 -9.064) 10.833 14.391 ( -9.603 2.436 7.109) 12.194 14.698 ( -3.433 -1.673 -3.553) 5.216 15.252 ( 15.516 12.783 -7.205) 21.355 15.590 ( -0.340 2.185 2.994) 3.722 16.221 ( -3.732 -13.515 -0.831) 14.046 16.643 ( 1.510 14.099 -2.228) 14.354 16.772 ( -3.919 -1.154 6.703) 7.850 17.866 ( 4.001 -6.778 2.332) 8.209 18.455 ( -9.026 -19.462 -7.017) 22.571 18.925 ( 1.169 2.910 1.959) 3.697 19.164 ( 2.773 -1.526 16.410) 16.712 19.969 ( 1.738 -0.495 -14.174) 14.289 22.056 ( -0.061 1.843 0.377) 1.883 ======================= Grid point 115 (60/90) ======================= q-point: (-0.25 -0.38 0.12) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 9.326 -7.850 -15.088) 19.397 1.880 ( 1.355 2.035 -4.929) 5.502 2.033 ( -3.413 6.206 4.979) 8.657 2.199 ( -2.678 4.706 2.462) 5.948 2.651 ( 2.489 -1.881 1.493) 3.459 2.753 ( -2.132 -2.790 7.182) 7.994 3.007 ( -8.797 -5.136 -2.758) 10.554 3.074 ( -0.864 -1.320 -5.249) 5.481 3.355 ( -1.196 0.924 4.257) 4.518 3.457 ( 5.846 -3.659 -2.084) 7.204 3.621 ( 0.435 -11.895 -12.149) 17.008 3.785 ( -1.705 1.201 -0.702) 2.201 3.925 ( 2.521 5.114 -8.444) 10.188 4.129 ( -5.052 6.277 10.157) 12.965 4.308 ( 1.723 -5.807 2.599) 6.591 4.587 ( -2.029 -3.884 7.661) 8.826 4.722 ( 2.520 0.471 -2.981) 3.932 5.112 ( 1.472 -6.579 -0.118) 6.743 5.441 ( -0.406 0.523 -4.420) 4.469 5.628 ( 0.200 3.745 2.531) 4.525 6.001 ( -1.255 1.051 -2.573) 3.050 6.346 ( -1.819 6.696 8.929) 11.308 6.989 ( 6.343 4.308 6.151) 9.830 7.395 ( 1.006 19.537 -9.981) 21.962 7.815 ( 1.135 -7.472 3.594) 8.369 8.164 ( -4.661 4.266 -5.007) 8.062 8.586 ( 2.461 4.221 -3.420) 5.964 9.626 ( 1.217 3.151 0.710) 3.452 9.835 ( 0.650 7.212 -3.322) 7.967 9.967 ( 1.199 4.288 6.079) 7.535 10.282 ( 0.353 -7.030 1.598) 7.218 10.401 ( 0.395 -5.670 -2.656) 6.273 10.888 ( -0.549 -3.158 4.906) 5.861 11.094 ( -4.521 3.830 12.855) 14.155 11.265 ( -11.709 -0.412 1.882) 11.867 11.522 ( 2.530 0.549 2.259) 3.436 11.573 ( 11.218 -0.171 -0.333) 11.224 11.818 ( -0.297 5.637 -1.623) 5.873 12.077 ( 3.519 0.412 -7.319) 8.131 12.280 ( 4.846 -5.281 6.652) 9.778 12.549 ( -7.353 7.315 -12.549) 16.280 13.367 ( -0.970 -11.389 0.214) 11.433 13.753 ( 2.667 -5.084 -8.268) 10.066 13.789 ( 3.637 10.874 5.164) 12.576 14.364 ( -6.967 7.139 3.024) 10.424 14.674 ( -1.979 -2.053 6.772) 7.348 15.463 ( 12.975 18.166 -9.902) 24.422 15.652 ( 1.005 4.525 1.914) 5.015 16.001 ( -6.276 -13.165 -1.507) 14.662 16.632 ( -1.245 2.662 -5.396) 6.144 16.955 ( 1.400 5.723 12.903) 14.185 17.931 ( 7.105 -3.711 1.321) 8.124 18.105 ( -6.680 -23.323 -4.059) 24.598 18.940 ( -5.242 1.082 2.435) 5.881 19.369 ( -4.609 -1.845 11.838) 12.837 19.769 ( 5.034 -2.098 -14.890) 15.857 22.078 ( 0.359 1.697 0.458) 1.794 ======================= Grid point 116 (61/90) ======================= q-point: (-0.12 -0.38 0.12) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 15.032 -6.633 -15.049) 22.280 1.712 ( 8.601 -9.741 -14.807) 19.700 2.167 ( -3.660 6.884 4.173) 8.843 2.292 ( -5.780 10.081 8.626) 14.472 2.651 ( -7.730 0.314 3.894) 8.661 2.789 ( -2.501 -2.466 -2.481) 4.300 2.874 ( 1.009 -6.339 8.649) 10.770 2.969 ( -2.763 -0.948 -6.734) 7.340 3.228 ( 6.052 -12.571 -11.750) 18.241 3.405 ( 0.601 1.431 -2.153) 2.654 3.622 ( 3.558 -2.142 4.212) 5.915 3.808 ( 1.229 -0.673 1.292) 1.906 3.868 ( 1.172 2.575 -4.722) 5.505 4.201 ( -9.359 7.477 4.931) 12.954 4.355 ( 1.333 -6.446 6.978) 9.593 4.592 ( -1.754 -5.527 0.478) 5.818 4.760 ( 1.138 6.092 2.958) 6.867 5.150 ( 5.540 -4.305 4.200) 8.177 5.363 ( -1.597 -0.433 -4.335) 4.640 5.692 ( 1.861 2.591 0.568) 3.240 5.919 ( -4.250 -0.301 -3.447) 5.480 6.469 ( -4.011 4.573 7.249) 9.463 7.217 ( 9.682 3.714 6.424) 12.198 7.386 ( -1.065 20.155 -12.724) 23.859 7.848 ( 3.484 -8.040 5.313) 10.248 8.022 ( -6.566 1.424 -6.292) 9.204 8.647 ( 4.533 0.600 1.159) 4.717 9.709 ( 1.961 3.489 2.187) 4.561 9.842 ( 1.362 4.283 -1.620) 4.777 10.069 ( -1.097 -0.728 3.249) 3.506 10.232 ( 0.669 -2.568 1.000) 2.836 10.433 ( 3.975 0.738 2.811) 4.924 10.873 ( -5.142 4.814 -1.860) 7.285 11.099 ( -17.646 -3.737 4.533) 18.598 11.283 ( 0.404 -0.037 10.372) 10.379 11.515 ( -0.407 -1.293 -9.015) 9.116 11.631 ( 5.378 2.091 4.827) 7.523 11.923 ( 4.091 3.004 2.882) 5.837 12.079 ( 5.841 4.308 -3.495) 8.056 12.259 ( -12.139 5.807 -15.463) 20.499 12.398 ( 7.786 -3.409 2.831) 8.959 13.271 ( 4.291 -11.920 -5.325) 13.743 13.600 ( -0.367 -14.681 -4.863) 15.469 13.949 ( 0.818 9.915 1.597) 10.076 14.445 ( -3.163 12.600 6.434) 14.497 14.785 ( 2.471 0.240 9.492) 9.811 15.465 ( -8.418 8.715 -7.521) 14.261 15.730 ( 1.931 6.305 -1.951) 6.876 15.953 ( 10.076 1.527 -1.696) 10.331 16.567 ( 3.299 -1.043 -5.571) 6.558 17.148 ( -5.039 3.463 11.213) 12.772 17.788 ( -4.587 -13.096 -5.498) 14.926 18.069 ( 8.905 -14.802 7.333) 18.766 18.886 ( -7.995 1.639 1.462) 8.291 19.215 ( -10.776 -2.498 -9.636) 14.670 19.827 ( 10.268 -0.338 5.709) 11.753 22.099 ( 0.178 1.242 0.221) 1.274 ======================= Grid point 119 (62/90) ======================= q-point: ( 0.25 -0.25 0.12) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 15.209 -6.694 8.785) 18.796 1.442 ( 23.689 1.001 1.397) 23.752 2.045 ( 2.175 -4.280 8.316) 9.603 2.610 ( 0.580 -2.426 -9.613) 9.932 2.711 ( 1.881 3.078 6.060) 7.052 2.790 ( 1.107 1.314 -1.677) 2.401 2.852 ( 0.893 -5.575 1.563) 5.858 3.186 ( 6.307 -2.803 -6.391) 9.406 3.215 ( -3.890 -5.847 -2.086) 7.327 3.382 ( -5.116 -1.370 -2.685) 5.938 3.549 ( -0.511 3.758 5.614) 6.775 3.668 ( 0.590 4.196 1.504) 4.496 3.916 ( 1.907 4.700 -2.664) 5.729 4.143 ( -5.547 -3.785 6.270) 9.188 4.428 ( 7.266 2.361 -0.999) 7.705 4.748 ( -2.998 -1.130 -3.608) 4.825 4.926 ( -6.740 -2.442 -4.745) 8.597 5.138 ( 5.718 5.789 0.683) 8.166 5.349 ( 1.163 -4.806 -0.189) 4.949 5.634 ( -0.192 3.879 -1.077) 4.030 5.877 ( 3.091 -2.607 2.876) 4.962 6.739 ( -14.275 0.838 -5.978) 15.499 6.879 ( -10.208 4.470 9.082) 14.375 7.273 ( 1.038 10.138 -8.753) 13.434 7.880 ( -2.040 -6.653 4.487) 8.280 8.185 ( 8.001 -7.615 -9.181) 14.363 8.596 ( 11.005 4.677 2.539) 12.224 9.585 ( -1.063 2.192 3.715) 4.442 9.902 ( -1.863 6.648 -8.234) 10.746 10.121 ( -4.229 -6.617 0.697) 7.884 10.336 ( -11.580 10.168 -2.544) 15.619 10.437 ( -0.990 -2.443 -0.986) 2.815 10.722 ( -2.400 -0.553 5.786) 6.289 11.191 ( 3.082 1.621 9.103) 9.746 11.295 ( -7.170 -6.001 8.462) 12.610 11.519 ( -9.351 2.584 4.652) 10.759 11.673 ( 1.476 9.941 -11.432) 15.221 11.780 ( 1.277 0.115 -2.931) 3.199 12.043 ( -4.803 -1.822 3.142) 6.021 12.218 ( 4.200 -3.464 -9.127) 10.627 12.450 ( 1.451 -5.270 -2.787) 6.136 13.126 ( 11.088 -8.032 9.451) 16.637 13.362 ( 19.935 6.511 10.116) 23.284 13.928 ( -10.007 2.989 -1.857) 10.608 14.616 ( -19.632 5.867 -8.114) 22.038 15.103 ( 1.689 -1.502 -7.050) 7.403 15.374 ( -8.963 -0.802 -8.038) 12.066 15.628 ( -2.124 -5.414 10.501) 12.004 15.723 ( 7.974 14.683 -1.042) 16.740 16.574 ( -1.102 -10.651 -1.480) 10.810 17.307 ( -6.165 8.576 1.721) 10.701 17.736 ( 8.743 -3.335 0.631) 9.378 18.092 ( 12.609 -1.612 4.316) 13.424 18.954 ( -3.672 -0.651 6.682) 7.652 19.069 ( -0.413 -7.404 4.552) 8.702 20.120 ( 1.049 0.447 -13.908) 13.955 22.093 ( -1.482 0.749 -0.287) 1.685 ======================= Grid point 120 (63/90) ======================= q-point: ( 0.38 -0.25 0.12) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 7.811 3.348 16.096) 18.201 1.764 ( 18.489 2.592 3.254) 18.952 2.111 ( -0.713 -0.973 4.553) 4.710 2.315 ( -10.554 -2.308 -17.099) 20.226 2.749 ( -1.515 -2.475 -5.281) 6.026 2.775 ( -3.190 -2.932 0.846) 4.414 2.878 ( 3.594 -2.741 4.577) 6.433 3.089 ( -0.588 -4.427 -2.385) 5.063 3.280 ( 3.487 -4.043 0.698) 5.385 3.406 ( 15.972 0.807 5.510) 16.915 3.672 ( 1.068 2.689 7.342) 7.891 3.728 ( 3.332 3.804 -1.251) 5.209 3.917 ( 0.863 4.767 -5.744) 7.515 4.076 ( -10.897 -3.324 3.293) 11.859 4.523 ( 7.173 1.464 -3.106) 7.952 4.624 ( -5.274 -4.577 -2.350) 7.368 4.780 ( -1.788 -1.188 -5.852) 6.233 5.253 ( 5.931 4.093 -2.180) 7.529 5.329 ( -0.197 -3.571 2.473) 4.349 5.656 ( -1.050 3.893 0.515) 4.065 5.885 ( -2.070 -4.480 0.879) 5.013 6.491 ( -7.936 -0.376 -5.621) 9.732 6.922 ( -13.801 7.899 11.678) 19.729 7.264 ( 2.424 11.827 -8.021) 14.495 7.872 ( -2.174 -2.771 3.843) 5.212 8.115 ( 6.415 -5.163 -7.073) 10.855 8.707 ( 4.428 6.117 -6.595) 10.026 9.666 ( -0.431 0.766 3.840) 3.939 9.778 ( -3.653 5.416 -4.610) 7.996 10.078 ( -6.603 2.908 -3.779) 8.145 10.250 ( 1.968 -1.216 3.648) 4.320 10.443 ( -0.420 2.739 0.861) 2.902 10.752 ( -2.655 -3.347 4.878) 6.485 11.180 ( -5.987 -11.476 2.476) 13.178 11.356 ( -9.052 -3.310 -5.317) 11.007 11.411 ( 2.028 -3.380 12.266) 12.884 11.660 ( -0.036 10.194 -7.447) 12.624 11.811 ( -0.217 8.450 0.787) 8.489 12.019 ( -2.999 -3.163 3.778) 5.768 12.167 ( 4.627 -3.381 -2.304) 6.176 12.442 ( 2.293 2.971 0.270) 3.762 13.346 ( 10.201 -4.049 8.026) 13.596 13.721 ( 2.927 4.150 1.070) 5.190 13.839 ( 2.633 1.504 1.827) 3.540 14.323 ( -12.702 5.587 -4.555) 14.605 14.946 ( -0.645 -4.313 -11.269) 12.084 15.237 ( -8.897 6.822 -1.360) 11.294 15.641 ( -4.206 -4.471 4.563) 7.648 15.951 ( 9.246 7.740 3.361) 12.518 16.525 ( 0.825 -1.306 2.050) 2.567 17.182 ( -9.900 -1.287 -5.578) 11.435 17.829 ( 3.004 -2.398 2.979) 4.863 18.355 ( 18.123 3.045 1.822) 18.467 18.937 ( -2.805 -9.317 -4.642) 10.781 19.055 ( -5.317 -10.117 15.419) 19.193 19.984 ( 4.623 4.635 -13.026) 14.579 22.077 ( -1.428 1.085 -0.112) 1.797 ======================= Grid point 121 (64/90) ======================= q-point: ( 0.50 -0.25 0.12) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 0.969 10.625 16.165) 19.368 1.883 ( -7.048 -5.852 -18.465) 20.612 2.053 ( 9.346 5.057 2.596) 10.939 2.132 ( 0.371 -0.595 -1.594) 1.741 2.558 ( -1.526 -11.992 -4.927) 13.054 2.766 ( -2.233 0.690 3.351) 4.085 2.986 ( 4.788 -1.510 2.487) 5.603 3.069 ( 5.645 -4.369 0.390) 7.149 3.295 ( -1.590 0.093 1.980) 2.541 3.657 ( 1.935 3.042 -0.639) 3.661 3.767 ( -2.376 0.888 5.949) 6.467 3.792 ( 4.297 -1.097 -3.822) 5.855 3.873 ( 6.494 2.597 -3.248) 7.712 3.979 ( -2.359 1.648 2.284) 3.674 4.415 ( -2.197 -9.458 -10.221) 14.097 4.593 ( -2.279 -0.513 5.171) 5.674 4.692 ( 0.826 -2.788 -4.315) 5.203 5.274 ( -0.301 -3.690 0.310) 3.715 5.359 ( 2.992 3.221 -2.322) 4.972 5.679 ( 0.087 3.732 0.509) 3.768 5.823 ( -2.745 -2.384 0.855) 3.735 6.404 ( -2.044 2.782 0.081) 3.453 6.960 ( -12.668 7.635 10.336) 18.045 7.285 ( 3.049 12.719 -7.493) 15.073 7.885 ( -3.871 -1.457 4.829) 6.358 8.089 ( 7.269 0.334 -5.797) 9.304 8.664 ( -0.449 5.103 -7.971) 9.475 9.672 ( -1.017 4.730 -1.281) 5.005 9.746 ( -2.503 1.273 -0.870) 2.940 9.970 ( -4.549 4.883 -4.160) 7.864 10.397 ( 5.936 -1.460 7.682) 9.818 10.454 ( -4.056 0.230 2.453) 4.746 10.746 ( 0.983 -8.640 1.502) 8.825 11.036 ( 3.819 -9.166 -4.338) 10.836 11.222 ( -6.171 3.061 -0.312) 6.896 11.523 ( -1.160 -3.815 7.193) 8.225 11.609 ( -4.157 4.911 -2.551) 6.921 11.858 ( -2.215 8.081 -1.403) 8.496 12.037 ( -2.883 -3.779 8.245) 9.517 12.198 ( 4.494 -3.445 -0.263) 5.668 12.547 ( 5.083 7.973 0.183) 9.457 13.510 ( 5.416 -4.000 3.579) 7.625 13.677 ( -6.796 6.130 1.472) 9.270 13.762 ( -2.280 -7.413 -11.121) 13.558 14.443 ( 7.648 12.940 8.407) 17.223 14.771 ( -1.848 0.126 -8.092) 8.301 15.140 ( -9.381 0.381 0.696) 9.415 15.624 ( -2.948 1.177 2.080) 3.795 16.127 ( 7.979 -1.506 1.109) 8.196 16.620 ( 1.234 9.656 3.877) 10.478 16.958 ( -8.554 -3.055 -4.532) 10.152 17.841 ( -0.906 -6.350 2.181) 6.775 18.547 ( 11.868 -12.409 -9.442) 19.595 18.751 ( -1.123 -1.211 1.254) 2.074 19.168 ( -1.013 -5.708 14.136) 15.279 19.925 ( 2.306 3.581 -8.142) 9.189 22.071 ( -0.980 1.490 0.153) 1.790 ======================= Grid point 122 (65/90) ======================= q-point: (-0.38 -0.25 0.12) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -3.145 -7.695 -19.388) 21.095 1.899 ( -2.917 0.960 -8.785) 9.306 2.066 ( 1.446 5.921 5.287) 8.068 2.243 ( -0.170 7.642 6.895) 10.294 2.513 ( 5.329 -8.218 5.709) 11.337 2.804 ( -0.590 -0.299 3.503) 3.565 3.011 ( 5.428 -4.871 -3.744) 8.198 3.156 ( 2.354 -1.897 1.446) 3.351 3.275 ( -0.799 -4.657 0.262) 4.732 3.546 ( -4.716 2.962 -2.933) 6.294 3.666 ( -7.446 -5.167 -7.784) 11.947 3.816 ( 4.707 1.896 -3.774) 6.324 3.913 ( -4.306 4.551 -4.179) 7.531 4.094 ( 5.145 -0.948 1.239) 5.376 4.253 ( 3.995 -4.393 4.204) 7.276 4.627 ( 1.585 -5.009 -2.447) 5.795 4.662 ( -1.945 -0.655 8.906) 9.139 5.187 ( -6.249 -5.671 -0.173) 8.440 5.383 ( 3.913 1.988 -4.032) 5.960 5.696 ( -3.469 3.577 -0.719) 5.034 5.860 ( 7.013 1.391 0.508) 7.168 6.453 ( -0.945 5.830 4.932) 7.695 7.000 ( -8.885 6.200 8.391) 13.704 7.325 ( 3.674 14.497 -7.948) 16.936 7.863 ( -4.093 -3.035 2.660) 5.748 8.162 ( 5.517 3.496 0.770) 6.576 8.568 ( -1.828 3.766 -8.214) 9.220 9.643 ( -2.609 2.490 -1.396) 3.867 9.777 ( 2.813 6.052 -2.567) 7.150 9.927 ( 0.196 2.322 1.469) 2.755 10.401 ( -7.859 -4.016 3.868) 9.636 10.472 ( -4.161 -1.579 -0.067) 4.451 10.751 ( 8.429 -7.232 4.948) 12.158 11.111 ( 15.440 0.203 -5.210) 16.297 11.192 ( 0.917 3.172 0.426) 3.329 11.547 ( -3.506 0.616 3.955) 5.321 11.581 ( -8.592 1.679 6.257) 10.761 11.855 ( -2.361 7.143 -2.562) 7.948 12.066 ( -2.893 -1.008 0.461) 3.098 12.213 ( 1.905 -7.767 5.378) 9.638 12.625 ( 1.291 8.023 -5.765) 9.963 13.444 ( -4.035 -16.076 -2.439) 16.753 13.587 ( 6.649 -2.463 -12.136) 14.056 13.742 ( -0.555 10.529 5.455) 11.871 14.615 ( -7.286 15.337 -2.643) 17.184 14.780 ( -0.828 -2.519 11.746) 12.042 15.099 ( 5.755 4.066 -0.786) 7.090 15.634 ( -1.195 4.491 -0.227) 4.653 16.128 ( -0.690 -6.460 -3.585) 7.420 16.711 ( -2.097 2.009 -0.621) 2.970 16.906 ( 0.440 8.801 5.193) 10.228 17.804 ( 0.683 -9.160 2.415) 9.498 18.269 ( -3.249 -21.796 -9.945) 24.177 18.886 ( 8.218 5.631 -0.971) 10.009 19.328 ( 4.774 -4.464 10.979) 12.777 19.832 ( -6.328 -0.333 -4.186) 7.595 22.079 ( -0.373 1.713 0.370) 1.792 ======================= Grid point 123 (66/90) ======================= q-point: (-0.25 -0.25 0.12) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 6.582 -11.052 -17.185) 21.466 1.598 ( -0.433 -9.649 -19.351) 21.628 2.218 ( -0.444 9.660 1.909) 9.857 2.416 ( -3.180 6.394 10.983) 13.100 2.640 ( 5.909 -3.063 5.266) 8.487 2.825 ( 1.036 -0.940 -0.147) 1.407 2.909 ( -1.026 -8.054 -11.380) 13.979 3.071 ( -4.661 -7.384 3.424) 9.379 3.178 ( -3.061 -8.757 -6.294) 11.210 3.497 ( -0.533 -1.415 2.337) 2.783 3.562 ( -3.650 7.962 1.127) 8.831 3.784 ( -0.635 0.641 -3.596) 3.708 3.823 ( 1.911 3.622 -6.364) 7.568 4.211 ( 7.798 -1.293 3.621) 8.694 4.371 ( -1.835 3.487 4.043) 5.646 4.589 ( 1.134 -8.090 2.506) 8.545 4.785 ( -0.257 2.107 9.310) 9.549 5.072 ( -3.544 -5.668 0.500) 6.704 5.379 ( 1.885 0.019 -2.971) 3.519 5.658 ( -1.075 2.638 -2.489) 3.783 5.931 ( 3.993 -0.794 -3.011) 5.064 6.600 ( -2.179 10.103 9.457) 14.009 7.064 ( -1.914 4.539 6.186) 7.908 7.362 ( 2.938 17.521 -10.927) 20.857 7.838 ( -2.274 -5.606 5.195) 7.974 8.201 ( -4.931 0.065 -2.273) 5.430 8.499 ( 5.481 2.912 -5.693) 8.421 9.672 ( 1.180 2.769 4.239) 5.199 9.750 ( 2.857 2.195 -7.359) 8.193 10.077 ( 2.521 3.701 7.806) 8.999 10.316 ( -6.205 -1.783 2.873) 7.067 10.403 ( -4.122 0.545 1.959) 4.597 10.889 ( 4.912 0.183 0.526) 4.944 11.178 ( 9.235 -0.293 1.273) 9.327 11.354 ( 13.453 1.426 -3.446) 13.960 11.549 ( -9.487 2.165 4.587) 10.758 11.583 ( -7.163 2.933 7.996) 11.129 11.824 ( -1.614 5.369 -4.311) 7.072 11.990 ( -0.062 1.220 -3.683) 3.881 12.289 ( 2.294 -7.531 7.505) 10.877 12.524 ( -6.535 7.048 -11.553) 15.028 13.233 ( -1.382 -17.669 -4.211) 18.216 13.456 ( 7.866 -7.399 -14.606) 18.165 13.921 ( 1.477 10.478 5.468) 11.911 14.625 ( -8.358 16.532 4.570) 19.080 14.851 ( -7.038 -5.804 13.376) 16.191 15.310 ( 14.512 14.083 -3.427) 20.510 15.655 ( 2.319 5.273 -2.246) 6.183 15.961 ( -6.333 -6.804 -4.460) 10.310 16.633 ( -5.545 -1.735 -2.692) 6.404 17.129 ( 4.992 8.402 9.589) 13.691 17.813 ( 5.797 -4.887 -0.519) 7.600 17.935 ( -4.199 -25.092 -4.357) 25.811 18.971 ( 2.834 3.019 -1.367) 4.361 19.474 ( 9.517 -2.744 -9.078) 13.436 19.674 ( -15.314 -4.012 13.350) 20.709 22.095 ( 0.022 1.581 0.436) 1.640 ======================= Grid point 124 (67/90) ======================= q-point: (-0.12 -0.25 0.12) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 14.484 -10.463 -15.930) 23.937 1.296 ( 8.688 -14.686 -15.896) 23.320 2.096 ( -2.312 -15.081 -19.006) 24.372 2.461 ( 0.524 -1.353 2.754) 3.113 2.744 ( -0.369 -1.305 0.634) 1.497 2.768 ( 0.225 4.822 5.695) 7.466 2.869 ( 2.265 2.885 -0.309) 3.681 3.017 ( -6.714 -1.763 5.251) 8.704 3.129 ( -1.726 -2.869 8.343) 8.990 3.474 ( -8.542 6.937 -1.660) 11.128 3.601 ( 4.653 -0.366 1.296) 4.844 3.736 ( -0.424 2.317 -6.749) 7.148 3.880 ( 5.227 1.689 4.900) 7.361 4.304 ( -4.832 2.284 -8.675) 10.189 4.318 ( 5.035 -6.186 2.535) 8.369 4.652 ( 0.472 -1.844 9.703) 9.888 4.883 ( -5.253 0.864 7.154) 8.917 5.088 ( 7.723 -2.711 3.272) 8.814 5.340 ( -2.605 0.020 -2.268) 3.454 5.657 ( 3.167 1.222 -1.914) 3.897 5.875 ( -0.373 -3.550 -4.841) 6.015 6.743 ( -9.098 9.430 9.529) 16.202 7.220 ( 7.101 3.463 6.253) 10.075 7.347 ( 1.022 20.070 -14.707) 24.903 7.866 ( -0.680 -6.146 7.118) 9.429 8.012 ( -7.247 -2.573 -7.584) 10.801 8.539 ( 7.766 -4.772 -3.953) 9.935 9.688 ( 1.737 3.081 -4.592) 5.796 9.865 ( 6.198 4.555 7.235) 10.560 10.090 ( -5.314 -4.086 1.180) 6.807 10.358 ( -5.035 1.332 7.757) 9.343 10.476 ( 2.675 8.058 5.242) 9.978 10.891 ( 0.847 7.065 -6.768) 9.820 11.259 ( -8.879 -6.096 -2.135) 10.980 11.358 ( 0.675 -2.022 -3.414) 4.025 11.537 ( -5.675 4.184 10.952) 13.025 11.657 ( 3.836 3.696 4.466) 6.951 11.880 ( 9.161 10.846 -4.975) 15.044 12.011 ( 2.815 0.774 1.301) 3.196 12.263 ( -11.024 3.689 -11.720) 16.508 12.345 ( 1.893 -5.640 3.087) 6.702 13.019 ( 1.230 -16.697 -8.263) 18.670 13.302 ( 8.587 -13.966 -11.525) 20.040 14.049 ( -0.983 8.887 2.285) 9.228 14.780 ( -6.558 16.364 11.561) 21.082 14.919 ( -3.176 -1.206 10.182) 10.733 15.483 ( 3.588 12.089 -4.231) 13.301 15.729 ( 2.018 3.332 -1.558) 4.195 15.808 ( 4.648 2.213 -6.139) 8.012 16.495 ( -4.554 -4.794 -2.107) 6.940 17.365 ( 0.111 4.700 9.091) 10.235 17.617 ( -1.286 -17.863 -6.926) 19.202 17.917 ( 9.700 -10.006 3.712) 14.422 18.981 ( -2.161 0.736 0.684) 2.383 19.197 ( -12.204 -2.131 -13.645) 18.430 19.862 ( 5.448 -2.809 17.333) 18.384 22.111 ( -0.068 1.191 0.286) 1.227 ======================= Grid point 152 (68/90) ======================= q-point: ( 0.25 0.25 0.25) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 0.000 -0.000 16.649) 16.649 1.993 ( 0.000 -0.000 16.649) 16.649 2.095 ( -0.000 0.000 -11.864) 11.864 2.513 ( -0.000 0.000 -0.127) 0.127 2.753 ( 0.000 0.000 -2.918) 2.918 2.753 ( -0.000 0.000 -2.918) 2.918 2.806 ( 0.000 -0.000 -0.638) 0.638 2.806 ( -0.000 0.000 -0.638) 0.638 3.622 ( -0.000 0.000 -1.003) 1.003 3.659 ( 0.000 -0.000 0.284) 0.284 3.659 ( 0.000 0.000 0.284) 0.284 3.981 ( 0.000 -0.000 7.270) 7.270 4.064 ( 0.000 0.000 -1.244) 1.244 4.064 ( 0.000 0.000 -1.244) 1.244 4.159 ( 0.000 -0.000 7.461) 7.461 4.471 ( 0.000 -0.000 13.473) 13.473 4.560 ( 0.000 0.000 -3.602) 3.602 4.560 ( -0.000 0.000 -3.602) 3.602 5.772 ( 0.000 -0.000 8.852) 8.852 5.779 ( 0.000 0.000 -5.046) 5.046 5.779 ( -0.000 0.000 -5.046) 5.046 6.493 ( -0.000 0.000 -13.354) 13.354 7.027 ( 0.000 0.000 -6.526) 6.526 7.027 ( -0.000 0.000 -6.526) 6.526 8.517 ( 0.000 -0.000 7.747) 7.747 8.517 ( 0.000 -0.000 7.747) 7.747 8.916 ( -0.000 0.000 -4.777) 4.777 9.704 ( 0.000 -0.000 0.839) 0.839 9.722 ( 0.000 0.000 -2.431) 2.431 9.722 ( -0.000 -0.000 -2.431) 2.431 10.135 ( 0.000 -0.000 1.292) 1.292 10.135 ( -0.000 -0.000 1.292) 1.292 10.981 ( -0.000 0.000 -5.083) 5.083 10.981 ( -0.000 0.000 -5.083) 5.083 11.192 ( -0.000 0.000 -11.004) 11.004 11.545 ( -0.000 0.000 -4.811) 4.811 11.664 ( 0.000 -0.000 0.045) 0.045 11.664 ( -0.000 0.000 0.045) 0.045 12.186 ( -0.000 0.000 -3.422) 3.422 12.186 ( -0.000 0.000 -3.422) 3.422 12.857 ( 0.000 -0.000 19.141) 19.141 13.553 ( -0.000 0.000 -23.961) 23.961 13.562 ( 0.000 -0.000 7.650) 7.650 13.562 ( -0.000 -0.000 7.650) 7.650 14.040 ( -0.000 0.000 -3.106) 3.106 15.249 ( 0.000 0.000 -3.349) 3.349 15.249 ( -0.000 0.000 -3.349) 3.349 15.960 ( -0.000 0.000 -12.417) 12.417 15.960 ( -0.000 0.000 -12.417) 12.417 16.363 ( 0.000 -0.000 8.699) 8.699 16.648 ( 0.000 -0.000 12.613) 12.613 18.076 ( 0.000 -0.000 13.276) 13.276 18.076 ( 0.000 -0.000 13.276) 13.276 18.653 ( -0.000 0.000 -19.695) 19.695 19.657 ( 0.000 -0.000 7.722) 7.722 19.657 ( -0.000 -0.000 7.722) 7.722 22.073 ( -0.000 0.000 -1.855) 1.855 ======================= Grid point 153 (69/90) ======================= q-point: ( 0.38 0.25 0.25) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( -4.784 -1.019 -12.398) 13.328 2.147 ( 1.630 -2.490 6.406) 7.063 2.213 ( -0.985 1.298 5.857) 6.080 2.476 ( -4.357 -4.625 8.042) 10.249 2.631 ( -7.098 0.555 -0.393) 7.130 2.681 ( -5.350 -4.603 2.255) 7.409 2.840 ( 9.954 1.745 -0.056) 10.106 2.979 ( 4.241 3.257 5.266) 7.505 3.445 ( -2.731 -1.983 -10.358) 10.894 3.593 ( -5.208 1.174 -1.504) 5.547 3.732 ( 3.317 0.693 -1.816) 3.845 3.853 ( -8.546 -4.587 -5.694) 11.247 4.044 ( -7.103 7.492 3.096) 10.778 4.107 ( 7.159 -6.841 -4.338) 10.811 4.413 ( 1.439 -1.325 16.233) 16.351 4.454 ( -0.141 -3.329 6.218) 7.054 4.648 ( 6.419 9.623 -3.408) 12.059 4.744 ( 6.816 2.078 13.369) 15.149 5.639 ( -2.625 -1.111 -6.356) 6.966 5.723 ( -1.383 0.174 -6.422) 6.571 5.885 ( 1.312 -1.109 5.607) 5.864 6.289 ( -3.228 -1.286 -9.084) 9.726 6.896 ( 1.299 0.102 -7.686) 7.796 7.040 ( 6.217 3.672 -6.340) 9.609 8.417 ( -12.351 -2.633 -2.164) 12.813 8.620 ( 3.882 -4.859 1.348) 6.364 8.834 ( -1.898 1.625 -6.188) 6.674 9.636 ( -4.015 -2.740 1.198) 5.007 9.745 ( 1.921 2.237 1.137) 3.160 9.816 ( 6.579 2.807 -0.062) 7.153 10.156 ( -0.174 0.154 5.163) 5.168 10.227 ( 4.040 3.260 2.155) 5.620 10.807 ( -5.231 -3.974 -3.411) 7.402 10.979 ( -2.118 2.638 -1.218) 3.596 11.064 ( 3.329 0.264 -9.877) 10.426 11.478 ( 1.074 -3.214 -3.195) 4.657 11.641 ( -1.806 2.019 -1.154) 2.944 11.714 ( 4.572 0.897 -0.455) 4.681 12.055 ( -10.191 0.165 0.899) 10.232 12.215 ( 5.361 -1.950 2.076) 6.070 13.128 ( -1.185 -0.596 -5.442) 5.602 13.218 ( 6.296 -0.349 -4.954) 8.019 13.469 ( -11.813 -1.821 4.406) 12.739 13.818 ( 8.346 3.312 1.781) 9.155 14.047 ( 3.098 2.303 0.619) 3.909 15.135 ( -3.040 -0.606 -0.992) 3.254 15.237 ( 1.351 -0.274 -7.065) 7.199 15.765 ( 2.483 -7.477 -8.576) 11.645 15.868 ( -0.569 8.073 -8.158) 11.491 16.511 ( 4.559 1.837 5.469) 7.353 16.823 ( -0.842 0.350 11.718) 11.753 18.168 ( -1.492 -14.118 5.771) 15.325 18.225 ( -8.586 9.162 9.886) 15.981 18.506 ( 8.086 4.950 -6.210) 11.334 19.526 ( -12.124 -8.308 3.778) 15.175 19.938 ( 9.842 5.810 5.033) 12.488 22.049 ( 0.406 0.243 -1.896) 1.954 ======================= Grid point 154 (70/90) ======================= q-point: (-0.50 0.25 0.25) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( -9.057 -0.813 -8.876) 12.707 2.003 ( -4.067 -14.640 -9.285) 17.807 2.222 ( -7.924 3.781 1.763) 8.955 2.525 ( -4.891 -6.054 6.415) 10.086 2.657 ( 3.393 -0.467 7.312) 8.074 2.714 ( 0.256 1.008 8.411) 8.475 2.969 ( -2.609 5.249 2.236) 6.274 3.066 ( 6.578 0.576 0.937) 6.669 3.352 ( 4.402 -2.985 -1.120) 5.435 3.497 ( -6.094 1.957 -3.794) 7.441 3.645 ( -7.851 2.066 -5.478) 9.794 3.730 ( -1.474 -0.488 0.388) 1.600 3.990 ( -2.251 -8.246 -5.085) 9.946 4.088 ( -1.769 1.530 2.711) 3.580 4.442 ( 3.878 -2.667 -0.389) 4.723 4.706 ( -0.331 2.741 10.373) 10.734 4.736 ( 5.600 5.841 -1.114) 8.168 5.005 ( 4.482 0.257 11.111) 11.984 5.531 ( -1.095 -0.757 -4.954) 5.130 5.597 ( -2.147 0.700 -6.564) 6.942 5.940 ( -0.263 -3.007 3.464) 4.595 6.216 ( 5.296 3.498 -3.192) 7.104 6.825 ( 3.189 0.650 -7.537) 8.210 7.064 ( 6.281 4.082 -6.238) 9.748 8.193 ( -11.581 0.504 -4.127) 12.305 8.601 ( 6.021 -11.987 -3.630) 13.897 8.692 ( -6.915 4.439 -9.475) 12.542 9.597 ( -4.122 -1.787 3.073) 5.443 9.788 ( 2.626 2.961 -3.756) 5.456 9.876 ( 6.224 0.326 -3.712) 7.254 10.263 ( -1.800 3.564 8.597) 9.479 10.330 ( 3.214 3.606 2.083) 5.260 10.715 ( -2.687 -2.572 0.812) 3.807 10.992 ( 2.045 -2.480 1.567) 3.576 11.047 ( 3.413 4.193 2.783) 6.080 11.444 ( 5.056 -5.791 -3.305) 8.368 11.595 ( -4.168 1.346 -1.184) 4.537 11.772 ( 4.001 3.240 -2.137) 5.574 12.010 ( -5.249 2.885 5.761) 8.310 12.328 ( 3.632 1.398 3.531) 5.255 12.798 ( -2.016 -3.581 -20.263) 20.676 13.307 ( -5.287 -7.927 4.088) 10.368 13.458 ( 2.158 5.232 3.497) 6.653 13.905 ( -4.783 -0.846 7.337) 8.799 14.118 ( 8.385 4.614 -5.990) 11.291 15.066 ( 3.834 -4.002 -9.824) 11.280 15.222 ( 1.596 7.887 2.106) 8.318 15.649 ( 3.358 -12.046 -3.977) 13.122 15.836 ( -3.610 12.056 -4.375) 13.324 16.645 ( 5.323 -0.182 3.736) 6.506 16.935 ( -1.263 -0.133 6.119) 6.249 18.014 ( -3.236 -5.635 -5.695) 8.641 18.333 ( -6.684 1.685 11.066) 13.037 18.676 ( 5.709 5.013 8.202) 11.180 19.344 ( -10.332 -9.611 1.594) 14.201 20.111 ( 5.891 4.192 -0.760) 7.270 22.039 ( 1.190 0.681 -1.488) 2.024 ======================= Grid point 155 (71/90) ======================= q-point: (-0.38 0.25 0.25) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( -11.440 -5.917 -1.087) 12.925 1.704 ( -9.048 -14.257 -3.259) 17.197 2.157 ( -6.631 -0.765 2.841) 7.254 2.485 ( 3.179 1.284 -7.205) 7.979 2.756 ( -0.904 -0.761 5.224) 5.356 2.836 ( -1.803 0.649 5.863) 6.168 2.949 ( -3.325 4.958 -0.879) 6.034 3.226 ( 6.197 0.155 5.201) 8.092 3.350 ( -3.993 -0.210 -5.646) 6.918 3.433 ( 2.365 -0.745 5.809) 6.316 3.551 ( -5.690 3.245 -1.589) 6.741 3.677 ( -10.645 -6.396 4.750) 13.296 3.817 ( 3.753 -4.611 -8.355) 10.255 4.124 ( 1.113 0.369 2.258) 2.544 4.455 ( 0.402 -0.373 -1.229) 1.346 4.733 ( 1.670 3.845 -4.031) 5.815 4.855 ( 1.996 0.977 1.774) 2.843 5.139 ( -1.191 -2.326 5.952) 6.500 5.449 ( -1.694 -2.598 -2.585) 4.038 5.546 ( 1.768 3.193 -2.452) 4.397 5.936 ( -0.814 -3.177 0.858) 3.390 6.380 ( 14.497 6.851 0.489) 16.042 6.788 ( 2.715 2.083 -3.440) 4.852 7.085 ( 5.372 3.878 -6.260) 9.115 8.049 ( -7.451 4.452 -1.393) 8.791 8.448 ( -8.131 -4.663 -7.625) 12.082 8.541 ( 4.506 -5.218 -7.992) 10.555 9.591 ( -2.071 -1.443 3.924) 4.665 9.754 ( 3.222 0.910 -7.164) 7.908 9.935 ( 9.597 3.533 -4.269) 11.082 10.338 ( -6.134 2.601 6.378) 9.223 10.424 ( 2.182 4.000 0.882) 4.641 10.714 ( 0.172 -1.159 3.614) 3.799 11.044 ( 7.727 -5.228 2.627) 9.693 11.276 ( 2.896 3.536 15.533) 16.191 11.412 ( 5.972 -7.761 -4.328) 10.706 11.548 ( -2.441 3.700 -0.865) 4.516 11.791 ( 0.782 2.933 -3.320) 4.499 12.085 ( -2.783 5.855 4.585) 7.940 12.317 ( -3.773 0.737 -6.689) 7.715 12.569 ( -0.299 1.368 -8.129) 8.248 13.251 ( -3.160 -11.485 8.627) 14.708 13.551 ( 0.783 2.557 1.777) 3.211 13.856 ( -9.748 -3.273 3.404) 10.831 14.225 ( 14.278 8.334 -6.269) 17.681 14.977 ( 6.710 -2.191 -7.978) 10.652 15.337 ( 3.010 13.413 -7.960) 15.885 15.579 ( 3.096 -13.957 4.197) 14.899 15.822 ( -8.623 8.591 3.767) 12.741 16.722 ( -0.565 1.605 0.157) 1.709 16.989 ( 8.263 -3.714 -0.076) 9.059 17.891 ( -4.113 -1.750 -1.709) 4.785 18.356 ( -10.270 -2.713 8.253) 13.452 18.888 ( 3.559 1.492 7.112) 8.091 19.210 ( -5.182 -6.838 5.771) 10.340 20.120 ( 0.615 4.208 -8.730) 9.711 22.049 ( 1.847 0.994 -0.894) 2.280 ======================= Grid point 156 (72/90) ======================= q-point: (-0.25 0.25 0.25) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -11.031 -14.684 7.319) 19.770 1.541 ( -10.290 -7.280 10.714) 16.543 2.143 ( 1.078 0.530 0.790) 1.438 2.447 ( 6.203 8.269 -12.064) 15.887 2.775 ( -2.867 -4.770 -0.334) 5.576 2.819 ( -3.485 -1.957 3.217) 5.131 2.926 ( -4.169 1.572 0.439) 4.478 3.212 ( -2.631 -2.455 -3.485) 5.010 3.291 ( -15.422 -2.808 3.698) 16.106 3.449 ( -1.649 8.617 1.899) 8.976 3.535 ( 1.211 -4.640 3.186) 5.758 3.664 ( 3.407 0.315 4.344) 5.529 3.780 ( 3.974 -2.703 -2.908) 5.617 4.195 ( 6.276 -1.976 1.189) 6.687 4.406 ( -3.409 0.614 -2.158) 4.081 4.706 ( -0.398 -0.800 -4.001) 4.099 4.857 ( 1.819 2.913 -6.296) 7.171 5.135 ( -4.226 -1.116 1.816) 4.733 5.384 ( -1.453 -3.161 -0.178) 3.484 5.592 ( 2.294 1.641 1.360) 3.132 5.915 ( 0.212 -3.085 0.956) 3.236 6.568 ( 11.132 4.976 -7.641) 14.390 6.938 ( 10.736 7.969 9.536) 16.422 7.088 ( 4.044 3.277 -5.502) 7.574 7.991 ( -4.192 2.701 -3.771) 6.252 8.230 ( -9.866 2.480 -2.064) 10.380 8.468 ( 5.612 -8.577 -3.714) 10.902 9.638 ( 1.653 -1.504 5.097) 5.565 9.705 ( 2.892 0.733 -6.339) 7.006 10.043 ( 12.259 3.307 -5.924) 14.012 10.343 ( -6.290 2.368 3.865) 7.753 10.444 ( -1.374 3.635 -2.527) 4.635 10.795 ( 2.382 -0.108 5.834) 6.302 11.181 ( 10.717 -12.719 7.340) 18.180 11.335 ( 3.393 -9.243 -4.829) 10.966 11.480 ( 0.407 6.675 3.610) 7.599 11.626 ( 1.216 9.748 1.779) 9.984 11.749 ( -0.720 0.648 -2.441) 2.626 12.019 ( -4.098 0.278 -5.787) 7.097 12.315 ( -1.003 8.274 6.573) 10.615 12.466 ( -4.364 -0.050 -5.513) 7.032 13.295 ( -2.000 -9.049 11.915) 15.094 13.499 ( -12.932 -8.394 5.605) 16.404 13.831 ( 7.505 3.402 -3.699) 9.033 14.413 ( 14.159 12.111 -4.650) 19.204 14.995 ( 7.313 -0.026 -3.822) 8.251 15.237 ( -1.192 5.225 -12.225) 13.348 15.603 ( 2.500 -4.297 1.309) 5.140 15.898 ( -5.520 3.271 12.735) 14.260 16.665 ( -5.335 3.874 -2.908) 7.206 17.095 ( 14.404 -4.441 -4.294) 15.672 17.823 ( -5.300 -1.886 3.091) 6.419 18.238 ( -15.764 -7.334 3.669) 17.769 18.941 ( 2.566 -4.894 0.523) 5.551 19.312 ( -0.125 -1.076 14.113) 14.154 19.952 ( -5.212 6.092 -16.353) 18.213 22.072 ( 1.903 1.006 -0.474) 2.204 ======================= Grid point 161 (73/90) ======================= q-point: ( 0.38 0.38 0.25) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 1.178 -10.336 -9.675) 14.206 2.111 ( -4.067 -4.550 -4.776) 7.750 2.302 ( 3.585 7.605 -2.560) 8.789 2.598 ( 0.038 -6.229 9.299) 11.193 2.685 ( -2.810 -5.242 7.455) 9.537 2.787 ( 2.283 4.436 5.514) 7.436 2.832 ( -2.768 -1.645 8.433) 9.026 3.087 ( 5.047 6.453 3.918) 9.081 3.252 ( -4.461 -5.011 -8.196) 10.592 3.569 ( 2.193 -2.733 -4.751) 5.904 3.714 ( -0.077 5.645 -3.812) 6.812 3.795 ( 5.370 -10.166 -4.868) 12.485 3.946 ( -6.040 -4.541 -1.750) 7.756 4.182 ( 2.542 11.928 -1.835) 12.333 4.432 ( -5.598 -4.699 -0.686) 7.341 4.599 ( 3.992 4.861 2.317) 6.703 4.697 ( 0.266 1.448 15.188) 15.259 4.952 ( -0.694 5.317 14.506) 15.465 5.523 ( 0.228 -4.430 -6.655) 7.998 5.649 ( 0.633 4.237 -8.809) 9.795 5.947 ( -1.196 -0.923 3.623) 3.926 6.165 ( 0.143 -3.689 -7.125) 8.025 6.760 ( -0.306 -5.010 -4.765) 6.921 6.991 ( 0.215 12.286 -6.971) 14.127 8.366 ( 5.713 -10.083 -7.786) 13.962 8.497 ( -6.206 -3.513 -7.230) 10.155 8.789 ( 0.413 8.791 -9.581) 13.010 9.692 ( -2.222 -0.122 -1.821) 2.876 9.735 ( 4.244 -2.811 5.409) 7.427 9.791 ( -1.983 0.939 -3.234) 3.908 10.247 ( 1.623 0.759 6.180) 6.434 10.286 ( -0.204 2.208 8.144) 8.441 10.766 ( -0.811 -6.926 -0.458) 6.988 10.967 ( -1.005 3.166 0.410) 3.347 10.976 ( 1.336 3.066 -3.142) 4.588 11.445 ( -2.889 -2.435 -0.844) 3.871 11.638 ( 2.452 0.725 -0.254) 2.570 11.693 ( -0.865 3.813 -1.957) 4.372 12.120 ( 4.605 -4.045 3.801) 7.212 12.221 ( -2.993 0.836 4.165) 5.196 12.834 ( -1.070 -5.413 -22.106) 22.784 13.315 ( -0.554 6.256 6.231) 8.847 13.552 ( 0.740 -4.996 0.787) 5.112 13.815 ( -0.457 9.429 -0.815) 9.475 14.102 ( 0.782 -2.112 8.761) 9.046 15.050 ( -2.464 -1.954 -7.124) 7.787 15.171 ( 2.744 7.263 -9.294) 12.110 15.627 ( -2.843 -7.906 -2.637) 8.806 15.840 ( 2.553 7.918 -2.263) 8.621 16.579 ( -0.485 2.243 5.054) 5.551 16.961 ( 0.097 -2.817 7.454) 7.970 18.075 ( -1.323 -9.185 -7.093) 11.680 18.467 ( 3.602 4.618 8.035) 9.943 18.514 ( -1.567 4.075 12.633) 13.366 19.545 ( -1.123 -17.228 0.734) 17.280 19.991 ( 0.478 12.746 0.853) 12.783 22.022 ( -0.002 0.541 -1.874) 1.951 ======================= Grid point 162 (74/90) ======================= q-point: (-0.50 0.38 0.25) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 0.311 -13.754 -4.180) 14.378 1.930 ( -7.667 -1.389 -5.068) 9.295 2.321 ( -0.802 7.795 -5.327) 9.476 2.511 ( -5.788 -12.996 -2.509) 14.446 2.767 ( -2.175 -2.081 11.976) 12.349 2.900 ( -2.814 2.074 8.925) 9.585 3.035 ( 7.342 0.879 9.681) 12.182 3.084 ( -1.779 -5.474 -3.047) 6.512 3.251 ( 3.086 5.014 4.557) 7.446 3.482 ( -1.210 -1.276 -4.964) 5.266 3.654 ( 0.890 -2.031 -7.118) 7.455 3.741 ( -6.188 4.007 -3.331) 8.090 3.820 ( 4.846 -6.028 -4.546) 8.971 4.241 ( -5.789 5.353 1.978) 8.129 4.380 ( 1.715 -1.335 0.804) 2.317 4.684 ( 1.895 3.757 -1.925) 4.627 4.855 ( -0.688 -1.212 7.331) 7.462 5.163 ( -0.867 2.272 12.002) 12.246 5.432 ( 1.613 -2.747 -4.523) 5.533 5.559 ( -0.835 4.322 -7.053) 8.314 5.950 ( -0.897 -2.748 0.885) 3.023 6.098 ( 5.735 -0.494 -3.637) 6.809 6.711 ( 2.515 -1.839 -0.991) 3.269 7.000 ( 1.522 12.110 -6.948) 14.045 8.211 ( -2.088 -2.938 -8.521) 9.251 8.352 ( 3.481 -5.646 -6.695) 9.424 8.663 ( -5.034 5.986 -11.470) 13.883 9.621 ( -0.665 -0.335 -4.749) 4.807 9.711 ( 0.692 -1.111 -5.060) 5.227 9.817 ( 1.799 2.546 -0.008) 3.118 10.370 ( 1.858 0.833 6.750) 7.051 10.413 ( 0.116 -0.645 7.268) 7.298 10.714 ( -1.599 -4.132 2.239) 4.965 10.976 ( -2.796 -0.496 5.143) 5.875 11.109 ( 8.652 3.747 6.744) 11.592 11.371 ( -3.208 -5.828 1.062) 6.737 11.638 ( -2.378 2.685 -1.987) 4.100 11.727 ( 3.707 3.653 -1.347) 5.376 12.159 ( -2.600 2.019 4.705) 5.742 12.359 ( 5.583 1.943 6.933) 9.111 12.488 ( -0.676 -4.872 -19.169) 19.790 13.382 ( -2.418 1.395 0.912) 2.936 13.486 ( -2.998 -1.978 0.564) 3.636 13.913 ( 8.936 7.461 -4.319) 12.416 14.177 ( -8.323 -4.404 10.090) 13.801 14.894 ( -0.808 0.176 -9.755) 9.790 15.181 ( 7.656 10.962 -8.603) 15.899 15.547 ( -0.895 -8.998 2.794) 9.464 15.936 ( 0.484 11.117 2.701) 11.450 16.657 ( 1.133 -0.296 4.507) 4.656 16.949 ( -1.040 -6.858 -2.974) 7.547 17.946 ( -0.888 -2.991 -1.974) 3.692 18.575 ( -6.359 1.081 10.450) 12.280 18.767 ( 5.563 3.150 10.597) 12.376 19.353 ( -5.113 -17.550 -0.502) 18.286 20.080 ( 2.179 9.702 -4.452) 10.895 22.010 ( 0.890 1.087 -1.417) 1.995 ======================= Grid point 163 (75/90) ======================= q-point: (-0.38 0.38 0.25) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -2.627 -13.009 4.425) 13.990 1.794 ( -8.291 0.445 1.844) 8.505 2.241 ( -8.034 -7.055 0.027) 10.692 2.325 ( 2.820 4.692 -13.005) 14.110 2.832 ( -2.617 -3.362 3.065) 5.249 2.934 ( -4.989 -2.647 3.067) 6.427 3.035 ( -2.517 -2.754 3.297) 4.980 3.212 ( 3.294 -2.503 3.022) 5.123 3.347 ( -0.301 4.050 2.749) 4.904 3.480 ( 4.176 1.742 4.076) 6.090 3.563 ( -0.698 0.807 -4.512) 4.636 3.623 ( 1.239 -3.799 -5.556) 6.844 3.833 ( -0.344 3.930 0.227) 3.952 4.180 ( -10.041 -4.716 5.539) 12.399 4.421 ( 3.130 3.512 -3.388) 5.797 4.659 ( 0.949 0.596 -4.749) 4.879 4.874 ( -1.790 -2.930 0.819) 3.530 5.261 ( -4.910 1.177 5.541) 7.496 5.380 ( 1.624 -4.427 -2.539) 5.355 5.542 ( 1.957 4.316 -0.804) 4.806 5.907 ( -1.014 -2.978 -1.385) 3.437 6.219 ( 13.310 3.746 -0.902) 13.856 6.771 ( 4.002 2.283 4.073) 6.150 7.013 ( 1.813 11.157 -7.045) 13.319 8.078 ( -1.636 0.196 -5.975) 6.198 8.287 ( 6.238 -3.047 -8.614) 11.063 8.475 ( -8.107 2.533 -5.038) 9.875 9.568 ( 1.861 1.351 -4.102) 4.703 9.674 ( 3.288 -0.499 -3.054) 4.515 9.838 ( 1.942 4.593 -2.916) 5.776 10.464 ( -0.428 -1.978 3.831) 4.332 10.471 ( -1.471 1.404 4.490) 4.929 10.734 ( 0.424 -0.921 4.344) 4.461 11.024 ( 0.140 -6.827 7.653) 10.256 11.269 ( 0.698 -5.275 -1.220) 5.459 11.431 ( 6.957 -0.145 13.921) 15.563 11.595 ( -2.370 5.002 -2.523) 6.083 11.739 ( 1.761 0.079 -5.406) 5.686 12.164 ( -5.025 5.696 -7.071) 10.378 12.308 ( 1.842 1.437 1.466) 2.758 12.498 ( 2.242 2.249 -0.344) 3.195 13.351 ( -3.959 -5.158 7.203) 9.703 13.511 ( 4.999 3.044 -0.774) 5.904 13.928 ( -1.667 -0.856 -8.295) 8.504 14.183 ( -2.632 2.216 8.499) 9.169 14.797 ( 4.170 -0.332 -6.758) 7.948 15.242 ( 5.376 14.814 -11.761) 19.664 15.539 ( 0.804 -7.887 5.438) 9.614 16.064 ( -4.748 8.507 8.016) 12.616 16.737 ( 2.274 -1.767 4.623) 5.447 16.797 ( 3.281 -6.636 -10.368) 12.740 17.927 ( -1.823 0.408 1.350) 2.305 18.594 ( -11.244 -2.910 8.974) 14.677 18.901 ( 0.413 -6.196 1.800) 6.465 19.261 ( 2.791 -9.710 8.065) 12.927 20.046 ( -1.531 8.338 -10.907) 13.814 22.022 ( 1.696 1.520 -0.745) 2.396 ======================= Grid point 164 (76/90) ======================= q-point: (-0.25 0.38 0.25) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -7.699 -7.921 13.674) 17.578 1.788 ( -4.993 1.060 8.830) 10.199 2.098 ( -1.037 -4.001 -3.533) 5.438 2.260 ( 5.008 7.463 -11.872) 14.890 2.719 ( -5.093 -6.193 -5.477) 9.710 2.870 ( -3.244 -3.657 -0.223) 4.894 3.026 ( -3.131 -3.990 4.274) 6.633 3.197 ( -0.896 -1.913 -1.493) 2.587 3.376 ( -1.818 -3.246 -1.348) 3.957 3.493 ( -0.188 2.128 -1.006) 2.361 3.623 ( -1.683 2.531 5.187) 6.012 3.668 ( 6.454 2.139 5.741) 8.899 3.849 ( -5.527 5.923 2.977) 8.631 4.117 ( -1.271 -6.070 2.446) 6.666 4.377 ( -1.274 -2.275 -5.116) 5.742 4.632 ( 3.001 -0.864 -2.606) 4.067 4.800 ( -3.124 -1.697 -4.259) 5.548 5.244 ( -6.475 3.179 1.609) 7.390 5.347 ( 1.895 -4.973 0.334) 5.333 5.618 ( 2.444 3.210 2.280) 4.634 5.863 ( 1.232 -2.958 -1.402) 3.498 6.387 ( 9.921 3.814 -2.595) 10.941 6.983 ( 9.794 7.120 8.012) 14.519 7.016 ( 2.216 9.571 -6.898) 12.004 7.980 ( -4.000 0.071 -4.345) 5.907 8.190 ( 4.251 -1.654 -10.117) 11.098 8.441 ( -2.085 2.415 5.960) 6.760 9.582 ( 3.478 3.231 -1.356) 4.937 9.692 ( 2.786 -0.051 0.166) 2.792 9.883 ( 5.319 3.501 -2.220) 6.743 10.463 ( -2.718 1.357 -0.004) 3.038 10.499 ( -4.303 2.348 2.247) 5.392 10.805 ( 2.018 -3.432 3.876) 5.556 11.067 ( 3.696 -13.765 5.618) 15.320 11.204 ( 0.256 -6.566 -0.762) 6.615 11.566 ( -1.966 5.890 0.486) 6.229 11.632 ( 0.429 2.775 -7.635) 8.135 11.727 ( 5.843 2.724 4.653) 7.951 12.067 ( -4.335 5.734 -1.991) 7.459 12.403 ( -0.950 -1.003 -3.857) 4.097 12.455 ( 0.483 3.877 2.146) 4.457 13.433 ( -0.718 -5.689 13.396) 14.572 13.607 ( 2.970 3.938 -0.042) 4.933 13.718 ( -5.969 -3.858 -6.349) 9.530 14.357 ( 7.736 9.209 4.187) 12.735 14.810 ( 9.920 -3.838 -3.342) 11.150 15.178 ( -4.457 11.918 -11.965) 17.466 15.580 ( 1.737 -1.136 2.110) 2.960 16.141 ( -6.611 -2.554 10.134) 12.366 16.676 ( 2.793 4.522 -7.581) 9.258 16.846 ( 8.005 -2.974 0.510) 8.555 17.905 ( -4.405 -0.261 0.493) 4.440 18.478 ( -17.237 -8.437 7.385) 20.563 18.850 ( 3.443 -8.469 -0.435) 9.153 19.391 ( 3.904 -7.445 7.413) 11.209 19.892 ( -4.847 9.417 -12.391) 16.300 22.051 ( 1.847 1.553 -0.288) 2.430 ======================= Grid point 169 (77/90) ======================= q-point: ( 0.38 -0.50 0.25) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 0.412 -12.867 -2.078) 13.040 2.040 ( 2.594 3.348 -8.041) 9.088 2.199 ( 4.644 0.943 -3.628) 5.968 2.675 ( 0.416 -8.347 9.085) 12.344 2.737 ( 9.423 -2.439 -5.965) 11.416 2.849 ( -2.319 -4.079 9.181) 10.311 2.909 ( 3.303 -0.901 5.889) 6.812 3.079 ( -5.614 1.123 4.539) 7.306 3.379 ( -5.456 2.709 4.147) 7.369 3.445 ( 3.212 0.519 -4.856) 5.845 3.558 ( 3.772 -7.583 -2.648) 8.873 3.709 ( -0.466 5.307 -4.482) 6.962 4.012 ( -8.679 -4.326 -1.124) 9.762 4.117 ( 11.144 4.692 -2.466) 12.341 4.450 ( -1.737 2.250 -2.319) 3.668 4.644 ( 0.110 1.405 1.793) 2.281 4.860 ( 0.320 -0.654 7.581) 7.616 5.184 ( 0.047 3.875 11.636) 12.264 5.426 ( -1.867 -3.341 -4.421) 5.847 5.533 ( 1.674 3.054 -7.098) 7.906 5.998 ( 0.498 -0.784 1.176) 1.498 6.099 ( -7.059 0.727 -3.273) 7.815 6.702 ( -2.246 -2.344 -2.657) 4.195 6.996 ( -1.258 11.843 -6.626) 13.629 8.109 ( 4.628 -9.094 -6.400) 12.045 8.430 ( -4.524 -2.602 -10.416) 11.651 8.683 ( 3.795 8.699 -10.368) 14.056 9.658 ( -0.251 3.014 -5.043) 5.881 9.727 ( 1.765 -3.579 1.900) 4.420 9.761 ( -3.787 1.766 -6.374) 7.622 10.335 ( -0.315 -1.528 7.240) 7.406 10.393 ( 1.525 -2.182 7.652) 8.102 10.783 ( 0.874 -3.556 7.515) 8.360 10.956 ( -1.493 4.925 -1.916) 5.492 11.124 ( -6.845 1.489 10.405) 12.544 11.465 ( -1.636 2.026 -1.149) 2.847 11.595 ( 4.077 -0.522 0.054) 4.110 11.711 ( -2.307 2.746 -2.398) 4.315 12.091 ( 4.927 -4.201 6.269) 9.012 12.304 ( -2.115 -0.811 -0.915) 2.443 12.542 ( -1.231 -2.161 -14.953) 15.159 13.423 ( -2.476 5.697 0.503) 6.232 13.499 ( 5.063 -1.285 2.823) 5.938 13.908 ( -8.968 7.040 -4.744) 12.349 14.147 ( 9.658 -6.774 11.026) 16.147 14.982 ( -1.068 5.854 -10.527) 12.092 15.063 ( -3.926 2.651 -9.553) 10.663 15.655 ( -7.144 -7.258 4.631) 11.188 15.835 ( 7.160 9.482 1.183) 11.941 16.667 ( -1.526 0.257 2.872) 3.262 16.979 ( -0.922 -3.438 -0.729) 3.633 17.951 ( 0.868 -3.372 -3.348) 4.831 18.552 ( 7.316 0.150 11.089) 13.286 18.761 ( -5.116 2.148 12.458) 13.638 19.395 ( 3.208 -15.047 -0.485) 15.392 20.049 ( -0.762 8.123 -5.973) 10.112 22.011 ( -0.919 1.138 -1.383) 2.013 ======================= Grid point 170 (78/90) ======================= q-point: (-0.50 0.50 0.25) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -1.283 -10.285 6.121) 12.037 1.946 ( -3.670 1.462 -4.895) 6.290 2.215 ( 5.160 6.696 -9.290) 12.561 2.492 ( -7.925 -14.080 -3.453) 16.522 2.865 ( 7.485 -7.665 2.466) 10.993 2.924 ( 4.186 -6.843 5.905) 9.961 3.060 ( -4.507 -1.795 5.873) 7.618 3.094 ( 5.029 -0.347 7.324) 8.891 3.372 ( 2.498 -1.741 -0.511) 3.087 3.417 ( -4.078 2.776 -1.588) 5.182 3.565 ( -0.839 0.973 2.535) 2.842 3.701 ( 1.222 6.982 -5.371) 8.893 3.817 ( -8.600 0.583 -3.477) 9.294 4.224 ( 7.372 6.032 -5.608) 11.054 4.445 ( -1.865 -3.697 5.645) 7.001 4.668 ( -0.441 0.614 -2.790) 2.890 4.909 ( -0.373 -3.991 1.990) 4.475 5.335 ( -1.220 -1.316 2.570) 3.135 5.372 ( 0.421 1.811 4.611) 4.972 5.477 ( 1.079 3.036 -5.856) 6.684 5.973 ( 1.387 -3.281 -1.974) 4.072 6.019 ( -4.288 3.846 0.882) 5.827 6.694 ( 1.698 0.618 2.336) 2.954 6.991 ( -0.037 13.166 -6.871) 14.851 8.020 ( 3.977 -6.419 -5.411) 9.289 8.248 ( -1.750 1.562 -9.666) 9.947 8.610 ( -1.551 4.912 -8.344) 9.806 9.561 ( -1.691 2.867 -5.655) 6.562 9.642 ( -1.838 1.090 -4.706) 5.168 9.786 ( 2.987 3.417 -2.467) 5.165 10.416 ( 1.737 -2.604 4.253) 5.281 10.491 ( 0.806 -2.425 6.656) 7.130 10.843 ( -7.487 -2.852 10.847) 13.485 11.057 ( 6.730 0.223 3.092) 7.410 11.163 ( -2.715 0.752 8.153) 8.626 11.421 ( -4.742 -2.701 2.632) 6.059 11.624 ( 1.627 -1.069 -2.406) 3.095 11.694 ( 0.334 3.311 -2.693) 4.281 12.182 ( 6.713 -3.981 -5.783) 9.714 12.245 ( -0.871 3.181 -0.844) 3.404 12.450 ( 0.189 2.818 3.208) 4.274 13.411 ( -1.887 3.209 -1.497) 4.012 13.542 ( -3.155 -0.981 2.584) 4.194 13.823 ( 1.467 6.372 -6.478) 9.204 14.340 ( 0.018 -7.146 11.206) 13.291 14.808 ( -4.593 1.099 -8.981) 10.148 15.013 ( 8.181 10.743 -10.591) 17.162 15.598 ( -4.617 -5.530 5.250) 8.914 16.048 ( 4.465 13.033 5.819) 14.955 16.702 ( 2.549 -0.880 1.107) 2.915 16.826 ( -5.635 -8.810 -6.709) 12.426 17.935 ( 0.565 -1.744 1.686) 2.491 18.760 ( 1.706 -0.083 8.542) 8.711 18.899 ( -2.153 1.138 10.272) 10.556 19.240 ( -1.803 -18.968 0.371) 19.057 20.028 ( 2.663 7.885 -9.526) 12.649 21.999 ( -0.062 1.814 -0.883) 2.018 ======================= Grid point 172 (79/90) ======================= q-point: (-0.38 0.50 0.25) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( -2.282 -2.956 13.265) 13.781 1.861 ( -1.538 -0.647 -2.661) 3.141 2.152 ( 1.468 4.333 -12.219) 13.047 2.266 ( -6.313 -9.769 -1.184) 11.692 2.834 ( -1.412 -7.950 -1.464) 8.206 2.939 ( 0.749 -11.601 1.463) 11.717 3.091 ( -3.155 -0.389 3.343) 4.613 3.190 ( -0.311 -3.789 0.667) 3.859 3.348 ( 1.670 -2.799 -1.821) 3.733 3.439 ( 6.610 -0.062 1.930) 6.886 3.608 ( -2.294 8.455 2.005) 8.987 3.666 ( -6.039 6.653 3.988) 9.831 3.818 ( 3.747 5.582 -1.462) 6.881 4.235 ( 2.594 0.303 -7.690) 8.121 4.448 ( -5.982 -5.910 6.571) 10.672 4.580 ( 0.361 -1.145 -5.229) 5.365 4.866 ( -1.548 -5.318 -0.705) 5.583 5.293 ( 0.759 -4.498 -1.958) 4.964 5.405 ( -5.456 3.419 0.948) 6.508 5.518 ( 4.608 1.099 2.373) 5.298 5.935 ( -4.607 2.130 -0.786) 5.136 6.107 ( 8.571 4.219 2.853) 9.970 6.800 ( 4.602 2.860 4.818) 7.251 6.995 ( 0.178 13.824 -7.344) 15.655 7.982 ( 3.522 -4.326 -1.050) 5.676 8.124 ( -0.674 3.294 -9.444) 10.025 8.525 ( -2.733 2.728 -2.763) 4.748 9.530 ( 0.548 4.758 -3.101) 5.706 9.613 ( 1.268 2.722 0.273) 3.016 9.807 ( 2.231 5.725 -3.271) 6.961 10.446 ( 1.655 -4.923 1.429) 5.386 10.559 ( -0.052 -0.338 3.047) 3.066 10.883 ( -7.373 -0.820 10.706) 13.025 11.038 ( -0.582 -6.941 -0.842) 7.016 11.303 ( -4.801 -2.892 5.404) 7.785 11.479 ( 9.716 -0.821 9.131) 13.358 11.589 ( 2.042 -4.367 -3.724) 6.092 11.643 ( -2.167 6.488 -4.986) 8.464 12.126 ( 1.106 5.868 -7.329) 9.454 12.317 ( 2.894 -1.392 4.712) 5.702 12.505 ( -0.783 3.257 -2.800) 4.366 13.432 ( 1.260 4.405 2.793) 5.366 13.530 ( -3.058 -1.616 4.463) 5.647 13.816 ( 2.995 4.726 -7.152) 9.081 14.347 ( -5.678 -6.041 5.538) 9.970 14.686 ( -0.566 -0.105 -3.605) 3.650 15.099 ( 9.835 14.517 -9.966) 20.169 15.592 ( -2.583 -3.796 5.269) 6.989 16.276 ( 0.457 12.202 7.198) 14.174 16.548 ( -1.239 -11.510 -11.727) 16.479 16.781 ( 1.420 0.369 5.227) 5.429 17.958 ( 0.285 -0.518 1.096) 1.245 18.775 ( -5.769 -13.251 1.649) 14.546 18.887 ( -5.014 -2.520 2.639) 6.201 19.275 ( 4.025 -6.350 12.701) 14.759 19.939 ( 0.744 5.507 -13.835) 14.910 22.012 ( 0.884 2.258 -0.241) 2.437 ======================= Grid point 173 (80/90) ======================= q-point: (-0.25 -0.50 0.25) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( -2.635 3.959 12.091) 12.993 1.811 ( -0.009 -2.408 -2.138) 3.220 2.045 ( 3.127 0.749 -6.826) 7.545 2.153 ( -2.718 -4.263 0.000) 5.056 2.702 ( -6.960 -6.724 -1.069) 9.736 2.850 ( -2.908 -4.505 -2.735) 6.019 3.030 ( -0.822 -5.404 -1.353) 5.631 3.136 ( -0.019 -4.501 -1.343) 4.697 3.340 ( -0.800 -1.808 -0.953) 2.194 3.559 ( 3.430 2.880 3.824) 5.889 3.709 ( 3.394 6.312 3.664) 8.049 3.744 ( -2.505 3.052 6.412) 7.530 3.863 ( 2.019 5.077 -4.958) 7.378 4.072 ( -0.962 -8.867 -7.743) 11.811 4.427 ( -5.902 -5.397 7.371) 10.876 4.569 ( 2.767 2.696 -0.843) 3.954 4.775 ( -3.557 -5.067 -2.007) 6.508 5.267 ( 3.255 -4.690 0.198) 5.712 5.367 ( -4.581 2.582 -0.187) 5.262 5.612 ( 3.844 1.007 1.961) 4.431 5.876 ( -5.338 2.714 -0.711) 6.030 6.298 ( 7.842 4.376 2.395) 9.294 6.962 ( 4.868 9.597 -3.649) 11.363 7.022 ( 4.571 9.605 1.041) 10.688 8.004 ( -0.835 1.298 -8.157) 8.302 8.015 ( 0.507 -3.161 4.634) 5.632 8.530 ( 1.302 3.147 2.161) 4.034 9.567 ( 3.358 4.475 0.575) 5.625 9.688 ( 0.843 4.177 2.656) 5.021 9.863 ( 2.824 6.212 0.387) 6.835 10.441 ( 2.444 -3.554 -0.909) 4.408 10.540 ( -1.383 -1.762 -3.574) 4.218 10.869 ( -5.056 -5.481 1.228) 7.557 11.033 ( -2.126 -4.063 8.523) 9.679 11.240 ( -6.537 -2.959 2.505) 7.601 11.527 ( 2.534 1.955 -4.742) 5.722 11.642 ( -2.162 1.881 1.117) 3.076 11.716 ( 8.344 5.049 1.346) 9.845 12.087 ( 0.981 3.746 -3.842) 5.455 12.346 ( -4.413 -1.063 -7.090) 8.419 12.450 ( 4.737 -0.763 0.705) 4.850 13.554 ( 0.293 -6.607 6.246) 9.096 13.574 ( 3.971 9.263 0.877) 10.117 13.756 ( -5.877 3.105 -0.923) 6.710 14.345 ( 7.030 -2.229 -0.914) 7.432 14.692 ( 0.657 -1.357 4.146) 4.412 15.155 ( 1.828 15.763 -9.831) 18.667 15.610 ( -1.457 -0.444 3.264) 3.602 16.258 ( -5.714 -15.190 -0.481) 16.237 16.492 ( 8.884 11.480 -4.706) 15.260 16.892 ( -0.619 2.743 7.020) 7.562 17.940 ( -2.442 -0.019 -2.016) 3.167 18.608 ( -0.201 -19.400 2.174) 19.522 18.836 ( -9.883 -0.542 3.698) 10.566 19.382 ( -3.071 -4.555 1.156) 5.614 19.819 ( 3.728 3.366 -6.627) 8.316 22.043 ( 1.240 2.143 0.084) 2.478 ======================= Grid point 179 (81/90) ======================= q-point: ( 0.38 -0.38 0.25) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 0.789 -7.198 7.450) 10.389 1.891 ( 12.025 5.725 -2.381) 13.529 2.144 ( -3.207 -2.599 -3.125) 5.177 2.393 ( 11.688 -6.017 -10.907) 17.082 2.771 ( -4.452 -8.000 6.254) 11.088 2.886 ( 0.954 -4.085 -0.555) 4.231 2.945 ( 5.221 -0.244 4.707) 7.034 3.204 ( -5.441 -6.012 3.340) 8.769 3.307 ( 1.684 -0.428 -2.135) 2.753 3.527 ( -0.547 1.277 1.244) 1.865 3.566 ( -0.568 6.584 7.209) 9.780 3.729 ( -2.987 6.288 -2.915) 7.547 3.900 ( 14.476 -1.856 -2.873) 14.874 4.069 ( -5.356 -5.702 0.282) 7.828 4.468 ( -0.383 6.092 -1.969) 6.414 4.633 ( -0.014 -1.474 -1.955) 2.448 4.877 ( 2.560 -3.622 0.162) 4.439 5.260 ( 5.552 1.116 2.109) 6.043 5.401 ( -2.618 -3.147 -0.962) 4.205 5.528 ( -2.307 4.983 1.100) 5.600 5.954 ( 0.454 -2.702 -1.613) 3.179 6.256 ( -12.168 7.479 -1.823) 14.399 6.721 ( -4.444 0.425 2.213) 4.983 7.012 ( -1.615 9.873 -5.606) 11.468 7.966 ( -0.023 -5.905 -1.812) 6.177 8.285 ( -0.078 -4.354 -10.596) 11.456 8.568 ( 3.590 8.353 -7.571) 11.831 9.617 ( -2.159 4.336 -6.837) 8.379 9.704 ( 2.092 -1.184 2.067) 3.170 9.799 ( -8.771 6.226 -4.270) 11.573 10.398 ( 1.047 -3.095 4.082) 5.228 10.438 ( 2.003 -3.475 6.150) 7.342 10.813 ( 4.821 -0.027 5.028) 6.966 11.105 ( -8.901 3.106 7.931) 12.320 11.346 ( -7.270 1.943 -1.282) 7.634 11.474 ( 2.310 -0.071 4.292) 4.874 11.547 ( 3.037 -0.874 1.893) 3.684 11.720 ( -1.864 0.879 -2.188) 3.006 12.051 ( 2.137 -1.894 -3.974) 4.894 12.238 ( 0.423 -1.780 0.173) 1.837 12.468 ( -1.082 -1.462 -1.980) 2.689 13.483 ( 5.646 1.917 5.984) 8.447 13.522 ( -6.170 5.213 -1.227) 8.170 13.942 ( -1.595 1.550 -9.086) 9.354 14.127 ( 6.076 -2.242 10.902) 12.680 14.927 ( -1.286 9.574 -6.026) 11.385 15.013 ( -9.606 -2.612 -11.382) 15.121 15.715 ( -0.787 -4.887 -0.333) 4.961 15.910 ( 3.983 7.291 12.847) 15.299 16.643 ( 0.416 -7.394 -3.538) 8.207 16.990 ( -5.393 5.959 -4.104) 9.024 17.903 ( 2.050 -2.162 1.493) 3.332 18.561 ( 10.922 -3.272 8.373) 14.146 18.971 ( -1.345 1.251 5.920) 6.199 19.303 ( -1.837 -12.578 7.638) 14.830 19.947 ( 2.392 3.470 -13.276) 13.929 22.024 ( -1.680 1.636 -0.744) 2.460 ======================= Grid point 180 (82/90) ======================= q-point: ( 0.50 -0.38 0.25) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -2.227 -0.684 11.991) 12.215 1.907 ( -3.207 -0.799 -7.237) 7.956 2.071 ( 5.612 3.607 -7.395) 9.960 2.320 ( 4.921 -12.840 -5.740) 14.901 2.806 ( 0.003 -7.981 4.123) 8.983 2.833 ( 4.603 -9.339 1.977) 10.598 3.085 ( 6.302 -0.961 3.969) 7.510 3.177 ( -0.403 -2.645 2.893) 3.941 3.309 ( 0.556 -1.207 2.206) 2.576 3.500 ( -7.864 2.954 -1.526) 8.538 3.695 ( -3.957 8.197 -2.189) 9.361 3.716 ( 2.264 6.844 3.840) 8.168 3.832 ( -3.230 -0.559 -7.388) 8.083 4.098 ( 5.980 -2.392 1.910) 6.718 4.498 ( 0.204 2.423 3.045) 3.897 4.592 ( 0.888 -4.647 -5.917) 7.576 4.860 ( 2.069 -6.854 -0.824) 7.207 5.319 ( -0.170 -1.235 -1.220) 1.744 5.370 ( 3.459 0.185 -0.436) 3.491 5.553 ( -4.095 4.356 3.092) 6.731 5.885 ( 0.907 -3.973 -2.037) 4.556 6.190 ( -7.368 9.117 1.290) 11.793 6.749 ( -1.907 3.253 5.145) 6.379 7.002 ( -0.624 11.875 -6.098) 13.364 7.929 ( -0.032 -3.524 1.644) 3.888 8.135 ( 0.510 0.976 -8.757) 8.826 8.550 ( 0.553 3.775 -5.232) 6.475 9.541 ( -1.382 4.836 -4.256) 6.588 9.666 ( -4.234 2.385 -2.119) 5.301 9.772 ( -0.907 7.056 -1.140) 7.204 10.438 ( -0.183 -2.054 2.940) 3.591 10.524 ( 2.178 -3.214 4.681) 6.082 10.969 ( 8.251 -3.841 3.137) 9.626 11.113 ( -9.444 -0.996 10.079) 13.848 11.201 ( 0.791 -1.408 -6.406) 6.606 11.541 ( -0.261 -6.479 0.166) 6.486 11.558 ( -4.142 -0.633 6.374) 7.628 11.680 ( -0.781 5.074 -4.517) 6.838 12.046 ( 2.825 4.184 -2.863) 5.804 12.283 ( 0.861 -1.667 4.704) 5.064 12.478 ( 2.294 2.777 -0.047) 3.602 13.464 ( -4.320 4.674 -0.565) 6.390 13.615 ( 1.258 1.000 5.227) 5.469 13.760 ( -3.524 2.057 -9.658) 10.485 14.379 ( 7.159 -2.835 6.779) 10.259 14.774 ( -3.491 -0.180 -6.869) 7.708 14.917 ( -1.858 9.963 -3.017) 10.574 15.651 ( -1.746 -5.224 0.854) 5.574 16.213 ( 3.294 13.727 10.914) 17.843 16.531 ( 3.469 -9.756 -7.772) 12.947 16.869 ( -7.543 1.308 -2.151) 7.952 17.934 ( 0.997 -2.590 1.967) 3.401 18.784 ( 9.092 -1.039 5.995) 10.940 18.938 ( -2.399 -9.881 -5.762) 11.687 19.289 ( -4.889 -9.713 15.338) 18.802 19.869 ( 4.444 5.547 -11.920) 13.878 22.014 ( -0.961 2.287 -0.314) 2.500 ======================= Grid point 181 (83/90) ======================= q-point: (-0.38 -0.38 0.25) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 1.560 -0.740 -4.906) 5.201 1.827 ( 0.732 -3.602 6.650) 7.598 2.021 ( -1.773 3.154 -6.075) 7.070 2.215 ( 0.187 -8.339 -1.446) 8.466 2.757 ( 1.429 -8.855 1.499) 9.094 2.879 ( 0.756 -7.816 3.755) 8.704 3.120 ( -2.614 -1.526 -5.111) 5.939 3.191 ( -1.185 -3.593 1.859) 4.215 3.380 ( -5.311 0.450 3.574) 6.417 3.402 ( 5.220 0.282 3.212) 6.136 3.675 ( -0.983 8.977 -3.586) 9.717 3.747 ( 2.533 1.537 -5.683) 6.409 3.834 ( 1.621 3.166 0.602) 3.608 4.126 ( -2.408 -2.500 0.382) 3.492 4.437 ( 0.248 -7.713 -4.450) 8.908 4.578 ( 0.213 3.247 3.595) 4.849 4.819 ( 0.280 -7.476 0.349) 7.490 5.247 ( -2.314 -4.606 -1.542) 5.380 5.416 ( 2.963 0.696 -1.387) 3.345 5.569 ( -2.440 3.209 1.729) 4.386 5.918 ( 5.678 1.079 -0.517) 5.803 6.222 ( -4.946 9.291 5.593) 11.919 6.842 ( 1.099 4.677 4.254) 6.417 7.001 ( 0.015 13.258 -6.917) 14.954 7.937 ( 0.077 -3.978 2.602) 4.754 8.099 ( -0.484 4.391 0.456) 4.441 8.501 ( 0.313 1.314 -4.423) 4.625 9.533 ( -0.273 4.985 -0.929) 5.078 9.669 ( 0.609 4.653 2.083) 5.134 9.809 ( 0.403 7.860 -0.285) 7.875 10.425 ( -1.923 -4.702 1.210) 5.222 10.549 ( 0.138 -3.937 -1.197) 4.118 10.926 ( 1.434 -2.689 -6.490) 7.170 11.139 ( -5.388 -1.664 10.383) 11.815 11.319 ( 12.983 1.753 0.162) 13.102 11.502 ( -0.646 -4.363 0.163) 4.414 11.511 ( -6.194 -2.756 3.752) 7.748 11.689 ( -1.125 5.393 0.835) 5.572 12.053 ( 0.950 3.777 -5.429) 6.682 12.347 ( 0.804 -3.091 5.829) 6.647 12.476 ( -1.754 3.745 -6.641) 7.823 13.513 ( 0.756 9.074 3.359) 9.705 13.596 ( -3.397 -3.607 -2.331) 5.476 13.724 ( 5.004 0.497 -0.208) 5.033 14.350 ( -3.951 -2.084 -6.185) 7.629 14.770 ( -3.230 1.352 7.514) 8.290 14.977 ( 5.753 11.779 -3.273) 13.512 15.633 ( 1.065 -3.218 1.583) 3.741 16.307 ( -1.823 0.518 -13.263) 13.398 16.494 ( -1.545 0.833 9.929) 10.083 16.841 ( 1.755 2.636 3.940) 5.055 17.938 ( 1.064 -2.714 -0.465) 2.952 18.666 ( -5.029 -17.713 -6.466) 19.516 18.934 ( 4.533 -0.915 2.376) 5.199 19.456 ( 0.624 -3.706 17.721) 18.115 19.749 ( -1.416 2.571 -14.014) 14.318 22.025 ( 0.000 2.600 0.178) 2.606 ======================= Grid point 182 (84/90) ======================= q-point: (-0.25 -0.38 0.25) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 4.664 -7.054 -11.544) 14.310 1.806 ( 6.571 -7.730 -8.665) 13.342 2.100 ( -5.290 5.538 16.725) 18.395 2.163 ( -1.472 -0.760 -0.457) 1.719 2.745 ( -2.220 -4.472 3.864) 6.313 2.859 ( -4.263 -1.568 1.052) 4.663 2.950 ( -0.824 -2.511 -7.219) 7.688 3.147 ( -5.135 -4.903 2.975) 7.698 3.359 ( -3.883 1.947 -1.333) 4.544 3.504 ( 6.009 -6.586 -2.334) 9.216 3.687 ( 4.307 -8.581 -5.407) 11.020 3.740 ( 3.082 1.768 -3.323) 4.865 3.772 ( 2.243 2.351 -0.802) 3.347 4.112 ( -6.524 7.073 3.671) 10.298 4.436 ( 5.899 -4.596 2.549) 7.901 4.637 ( -3.163 5.654 2.261) 6.862 4.768 ( -2.306 -6.840 2.863) 7.765 5.197 ( 2.712 -4.921 0.174) 5.621 5.402 ( -2.140 -0.359 -1.362) 2.562 5.603 ( 2.521 2.745 -0.131) 3.729 5.945 ( -1.783 1.447 -1.147) 2.567 6.361 ( -0.253 8.455 7.896) 11.571 6.936 ( 1.819 12.663 -5.636) 13.979 7.040 ( 4.317 7.480 0.879) 8.681 7.936 ( -0.672 -2.168 0.521) 2.329 8.124 ( -5.527 -1.684 4.975) 7.624 8.525 ( 6.291 2.426 2.020) 7.039 9.602 ( 1.615 4.516 4.447) 6.541 9.727 ( 1.524 2.397 -1.716) 3.318 9.919 ( 2.128 10.637 3.691) 11.459 10.375 ( -0.989 -5.239 -1.358) 5.502 10.447 ( -0.175 -5.443 -4.082) 6.806 10.853 ( -1.794 0.868 -4.690) 5.096 11.262 ( -2.152 1.279 13.251) 13.485 11.342 ( -7.090 3.456 -3.327) 8.561 11.483 ( 1.780 0.458 1.449) 2.340 11.555 ( 7.684 -1.773 -4.545) 9.101 11.719 ( -0.502 2.344 1.244) 2.700 12.021 ( 3.328 0.796 -2.143) 4.037 12.310 ( -7.171 1.705 -9.192) 11.782 12.414 ( 1.227 -2.509 3.353) 4.364 13.488 ( 0.441 -7.174 -4.900) 8.699 13.650 ( 2.236 9.502 0.385) 9.769 13.799 ( 5.431 -5.123 3.123) 8.093 14.238 ( -2.162 6.541 -2.972) 7.503 14.853 ( -5.028 -0.512 11.686) 12.733 15.111 ( 5.811 14.377 -3.526) 15.903 15.662 ( 1.020 -1.067 2.330) 2.758 16.070 ( -0.357 -6.892 -12.773) 14.518 16.545 ( -4.507 1.630 3.369) 5.858 17.030 ( 3.551 7.115 8.635) 11.739 17.904 ( 0.549 -1.669 -3.853) 4.235 18.426 ( 1.319 -18.855 -3.280) 19.183 18.971 ( -1.730 -1.186 1.958) 2.870 19.451 ( -14.831 -0.909 -11.601) 18.851 19.722 ( 8.945 -2.208 11.536) 14.764 22.053 ( 0.509 2.359 0.375) 2.442 ======================= Grid point 228 (85/90) ======================= q-point: ( 0.38 0.38 -0.62) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -0.000 0.000 -4.521) 4.521 2.104 ( -0.000 0.000 -8.028) 8.028 2.104 ( -0.000 0.000 -8.028) 8.028 2.814 ( 0.000 -0.000 7.712) 7.712 2.852 ( 0.000 -0.000 12.092) 12.092 2.852 ( 0.000 -0.000 12.092) 12.092 3.051 ( 0.000 -0.000 7.037) 7.037 3.051 ( 0.000 -0.000 7.037) 7.037 3.126 ( -0.000 0.000 -8.850) 8.850 3.571 ( -0.000 0.000 -5.486) 5.486 3.571 ( -0.000 0.000 -5.486) 5.486 3.865 ( -0.000 0.000 -3.252) 3.252 3.951 ( -0.000 0.000 -6.134) 6.134 3.951 ( -0.000 0.000 -6.134) 6.134 4.546 ( 0.000 -0.000 3.615) 3.615 4.546 ( -0.000 -0.000 3.615) 3.615 4.867 ( 0.000 -0.000 9.759) 9.759 5.135 ( 0.000 -0.000 15.284) 15.284 5.479 ( -0.000 0.000 -7.263) 7.263 5.479 ( -0.000 0.000 -7.263) 7.263 5.969 ( -0.000 0.000 -1.214) 1.214 6.112 ( -0.000 0.000 -4.087) 4.087 6.776 ( 0.000 0.000 -4.255) 4.255 6.776 ( -0.000 0.000 -4.255) 4.255 8.331 ( -0.000 0.000 -12.351) 12.351 8.331 ( -0.000 0.000 -12.351) 12.351 8.615 ( -0.000 0.000 -6.398) 6.398 9.626 ( -0.000 0.000 -6.256) 6.256 9.755 ( -0.000 0.000 -4.132) 4.132 9.755 ( -0.000 0.000 -4.132) 4.132 10.383 ( 0.000 -0.000 9.101) 9.101 10.383 ( 0.000 -0.000 9.101) 9.101 10.906 ( 0.000 -0.000 6.249) 6.249 10.906 ( 0.000 -0.000 6.249) 6.249 10.946 ( 0.000 -0.000 1.581) 1.581 11.479 ( 0.000 -0.000 1.774) 1.774 11.629 ( 0.000 0.000 -1.598) 1.598 11.629 ( -0.000 0.000 -1.598) 1.598 12.245 ( 0.000 -0.000 5.206) 5.206 12.245 ( 0.000 -0.000 5.206) 5.206 12.552 ( -0.000 0.000 -22.203) 22.203 13.338 ( 0.000 -0.000 2.846) 2.846 13.655 ( 0.000 0.000 -1.843) 1.843 13.655 ( -0.000 0.000 -1.843) 1.843 14.312 ( 0.000 -0.000 16.295) 16.295 14.948 ( -0.000 0.000 -10.992) 10.992 14.948 ( -0.000 0.000 -10.992) 10.992 15.725 ( 0.000 0.000 1.115) 1.115 15.725 ( 0.000 -0.000 1.115) 1.115 16.630 ( 0.000 -0.000 4.412) 4.412 17.047 ( 0.000 -0.000 0.114) 0.114 18.005 ( -0.000 0.000 -6.642) 6.642 18.641 ( 0.000 -0.000 13.367) 13.367 18.641 ( 0.000 -0.000 13.367) 13.367 19.774 ( 0.000 0.000 -2.511) 2.511 19.774 ( -0.000 0.000 -2.511) 2.511 21.990 ( -0.000 0.000 -1.867) 1.867 ======================= Grid point 231 (86/90) ======================= q-point: (-0.50 0.38 0.38) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -2.997 -1.779 0.497) 3.520 1.916 ( -3.341 -4.632 -4.039) 6.995 2.102 ( 4.143 5.224 -7.959) 10.383 2.717 ( -10.497 -13.244 -2.829) 17.135 2.937 ( -5.921 -0.132 9.174) 10.919 3.013 ( -1.930 -1.566 8.852) 9.194 3.052 ( -8.704 6.772 3.764) 11.653 3.145 ( 4.370 1.671 8.306) 9.533 3.295 ( 11.473 -1.544 4.432) 12.396 3.424 ( -3.625 0.400 -5.031) 6.214 3.554 ( 4.026 0.152 -7.007) 8.083 3.658 ( -10.233 0.938 -2.903) 10.678 3.883 ( 8.171 -10.407 -6.890) 14.918 4.032 ( 6.620 13.268 -4.921) 15.623 4.508 ( -7.174 -3.580 5.409) 9.672 4.645 ( 1.181 0.082 1.220) 1.700 4.952 ( -1.408 -0.992 3.997) 4.352 5.316 ( -1.520 -1.175 9.266) 9.463 5.398 ( 1.763 0.320 -3.821) 4.220 5.417 ( 1.607 2.473 -3.273) 4.406 5.968 ( 4.000 0.101 -1.633) 4.322 6.050 ( -0.742 0.184 -3.349) 3.436 6.705 ( -0.585 1.221 -0.595) 1.479 6.808 ( 5.675 2.456 -3.745) 7.229 8.102 ( -4.673 0.092 -8.503) 9.703 8.231 ( 5.123 0.864 -12.734) 13.753 8.538 ( -1.279 -1.218 -3.742) 4.138 9.539 ( 1.176 0.111 -6.850) 6.951 9.654 ( 1.155 -1.096 -5.701) 5.920 9.723 ( 1.405 3.017 -5.351) 6.302 10.460 ( -1.836 1.454 5.288) 5.783 10.493 ( 0.949 -0.721 4.163) 4.330 10.885 ( -4.648 -9.106 7.340) 12.586 11.033 ( -1.992 6.046 10.754) 12.496 11.165 ( 8.759 2.906 7.706) 12.023 11.496 ( -0.696 -2.709 4.627) 5.407 11.575 ( -0.863 -1.640 -2.963) 3.495 11.660 ( 3.070 4.070 -1.263) 5.252 12.187 ( -6.230 -2.625 -8.763) 11.068 12.300 ( -2.288 2.012 -1.902) 3.592 12.397 ( 5.565 1.029 2.004) 6.004 13.373 ( 2.286 0.348 0.020) 2.313 13.543 ( -3.598 -3.026 0.678) 4.750 13.741 ( 7.931 5.150 -5.377) 10.878 14.445 ( -10.793 -6.357 14.043) 18.817 14.778 ( 1.215 -1.636 -8.368) 8.613 14.900 ( 6.036 7.408 -10.040) 13.860 15.729 ( 3.465 -8.667 3.483) 9.962 15.812 ( 0.482 10.626 3.154) 11.095 16.697 ( 1.463 1.046 2.944) 3.450 16.954 ( -2.947 -2.855 -7.900) 8.903 17.958 ( -1.174 -0.637 0.836) 1.575 18.745 ( -5.634 -2.141 11.564) 13.041 18.885 ( 4.315 1.632 10.851) 11.791 19.548 ( -8.512 -7.171 -1.073) 11.182 19.859 ( 5.054 5.215 -8.401) 11.105 21.977 ( 1.109 0.616 -1.352) 1.853 ======================= Grid point 232 (87/90) ======================= q-point: (-0.38 0.38 0.38) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( -1.652 -3.067 4.598) 5.768 1.861 ( -1.167 -3.581 4.452) 5.831 2.046 ( 1.541 5.075 -11.424) 12.595 2.413 ( -13.779 -11.653 -1.548) 18.112 2.907 ( -6.992 -3.960 -0.064) 8.036 3.008 ( -6.964 -2.024 1.998) 7.523 3.067 ( -6.831 4.439 7.078) 10.792 3.267 ( -1.253 -2.755 -2.568) 3.969 3.328 ( 1.425 4.910 4.491) 6.805 3.483 ( 1.420 -1.340 -5.233) 5.585 3.516 ( 8.221 1.093 1.744) 8.475 3.634 ( 3.925 -0.756 2.650) 4.796 3.826 ( 3.906 -2.962 -4.072) 6.373 4.132 ( 2.593 7.891 -2.633) 8.713 4.458 ( -6.303 -3.162 5.110) 8.708 4.620 ( -1.292 -2.004 -2.107) 3.182 4.925 ( -4.387 -2.735 -0.065) 5.170 5.298 ( -4.239 -0.904 0.517) 4.365 5.398 ( 2.227 0.036 -1.242) 2.550 5.508 ( 3.199 1.926 3.330) 5.003 5.938 ( -0.677 -3.737 -1.775) 4.192 6.112 ( 9.844 6.623 -2.749) 12.179 6.758 ( 2.590 5.091 2.954) 6.431 6.851 ( 6.217 1.383 -3.080) 7.075 7.991 ( -2.106 1.526 -2.628) 3.698 8.132 ( 3.626 1.121 -10.667) 11.322 8.476 ( -1.675 -2.056 0.533) 2.705 9.491 ( 2.975 1.082 -3.927) 5.044 9.645 ( 5.300 -1.064 -2.290) 5.871 9.710 ( 3.419 5.581 -3.630) 7.484 10.481 ( -3.447 0.779 1.183) 3.727 10.546 ( 0.020 -0.506 3.332) 3.370 10.878 ( -3.588 -5.803 8.077) 10.573 11.211 ( 2.802 -1.037 9.791) 10.237 11.264 ( 0.153 2.270 -4.395) 4.950 11.490 ( -1.820 0.679 -2.086) 2.851 11.625 ( 4.485 -2.229 5.925) 7.758 11.687 ( -1.637 -0.548 -1.872) 2.547 11.962 ( -0.430 3.850 -8.516) 9.356 12.351 ( -0.659 1.575 6.866) 7.075 12.442 ( -0.168 0.883 -2.815) 2.955 13.425 ( 5.986 1.464 -0.773) 6.211 13.540 ( -0.343 -2.208 5.111) 5.578 13.771 ( 5.125 3.721 -8.136) 10.310 14.372 ( -13.004 -7.188 9.379) 17.571 14.755 ( 7.087 -1.507 -1.528) 7.405 14.896 ( 3.701 10.335 -9.928) 14.802 15.706 ( -1.393 -6.525 0.274) 6.678 16.036 ( 6.532 9.322 9.406) 14.766 16.688 ( -7.042 0.039 -5.514) 8.944 16.824 ( 5.491 -3.195 -3.335) 7.175 17.957 ( -2.032 -0.845 1.960) 2.946 18.768 ( -10.297 -3.294 9.094) 14.127 18.991 ( -0.077 -3.441 0.331) 3.458 19.513 ( 1.714 -5.086 10.103) 11.440 19.750 ( -2.865 5.671 -14.493) 15.825 21.991 ( 2.105 1.163 -0.599) 2.479 ======================= Grid point 239 (88/90) ======================= q-point: (-0.50 0.50 0.38) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -0.395 -4.143 3.501) 5.438 1.894 ( -0.868 -1.507 -1.483) 2.286 2.005 ( 1.137 5.276 -6.617) 8.539 2.674 ( -2.598 -13.925 -3.045) 14.489 3.027 ( -1.001 -8.398 3.017) 8.980 3.106 ( 7.746 -5.927 6.917) 11.957 3.156 ( 0.223 -1.756 4.826) 5.140 3.212 ( -0.069 -1.131 6.426) 6.526 3.341 ( -0.841 2.628 -2.007) 3.412 3.375 ( -1.051 2.876 1.668) 3.487 3.485 ( -1.547 6.633 -5.464) 8.731 3.631 ( 2.367 -3.444 -1.510) 4.443 3.745 ( -6.600 1.014 -5.333) 8.545 3.992 ( 3.298 13.520 -4.258) 14.554 4.591 ( 2.132 -5.354 4.215) 7.139 4.657 ( -1.994 -1.485 -0.226) 2.497 4.986 ( -0.156 -2.935 1.204) 3.176 5.335 ( 0.120 -0.263 -1.766) 1.789 5.369 ( 0.387 3.067 -2.810) 4.177 5.460 ( -0.220 0.111 6.910) 6.915 5.944 ( -1.280 5.131 -0.713) 5.336 5.998 ( 0.441 -3.690 -2.576) 4.522 6.708 ( 1.692 0.956 1.525) 2.470 6.776 ( -1.214 6.417 -2.876) 7.136 8.009 ( 1.589 -1.991 -4.226) 4.934 8.073 ( -1.242 2.493 -8.547) 8.989 8.516 ( -0.172 0.194 -1.557) 1.579 9.457 ( -0.140 1.506 -4.391) 4.644 9.583 ( -1.339 0.048 -2.394) 2.743 9.652 ( 1.252 4.752 -5.385) 7.290 10.497 ( 1.279 -1.580 2.165) 2.970 10.537 ( -0.800 2.012 1.174) 2.463 11.030 ( -3.781 -1.568 6.291) 7.506 11.144 ( 1.159 -5.354 7.909) 9.621 11.254 ( 3.930 0.316 7.927) 8.853 11.512 ( -0.082 -0.617 0.637) 0.891 11.559 ( -4.912 1.046 -3.767) 6.278 11.670 ( 2.070 3.438 4.856) 6.300 11.997 ( 1.122 -0.462 -15.233) 15.281 12.347 ( 0.327 -2.962 5.598) 6.342 12.433 ( 0.305 3.035 1.406) 3.358 13.366 ( -0.600 1.111 -0.415) 1.330 13.573 ( -1.192 0.425 1.523) 1.980 13.654 ( 1.049 4.876 -4.704) 6.856 14.635 ( -2.466 -9.211 9.182) 13.238 14.698 ( -2.386 -0.773 -4.795) 5.412 14.755 ( 5.601 6.388 -6.703) 10.822 15.733 ( -3.261 -4.272 2.980) 6.145 15.897 ( 3.078 13.118 1.949) 13.615 16.728 ( 0.904 0.477 2.065) 2.304 16.829 ( -1.435 -5.458 -7.635) 9.494 17.984 ( 0.069 -1.146 1.987) 2.295 18.910 ( 1.543 -3.276 8.629) 9.358 18.992 ( -1.559 0.595 5.120) 5.385 19.502 ( -1.704 -11.677 2.169) 11.999 19.765 ( 1.821 7.926 -9.768) 12.710 21.961 ( -0.015 1.409 -0.747) 1.595 ======================= Grid point 241 (89/90) ======================= q-point: (-0.38 -0.50 0.38) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( -0.451 -0.782 1.129) 1.446 1.894 ( -1.440 -1.398 2.503) 3.208 1.958 ( 1.986 2.459 -3.226) 4.516 2.476 ( -8.550 -14.772 2.093) 17.195 2.949 ( -4.814 -8.006 0.258) 9.345 3.053 ( -7.227 -7.039 -4.861) 11.199 3.141 ( 1.385 -5.575 -1.514) 5.940 3.241 ( -1.938 -3.394 0.010) 3.908 3.345 ( 1.272 2.218 -2.036) 3.269 3.447 ( 0.424 3.789 0.720) 3.880 3.494 ( 4.767 6.563 3.301) 8.757 3.693 ( -0.083 3.198 6.078) 6.868 3.718 ( 3.398 3.647 -1.308) 5.154 4.086 ( 4.964 8.433 -3.021) 10.241 4.554 ( -2.592 -5.459 -3.508) 6.987 4.607 ( -2.601 -3.816 3.566) 5.835 4.944 ( -2.770 -4.721 0.148) 5.476 5.321 ( 0.636 -1.483 -0.524) 1.696 5.370 ( -0.600 1.584 0.027) 1.694 5.525 ( 1.482 2.025 0.417) 2.544 5.929 ( -3.744 -2.038 0.654) 4.313 6.041 ( 6.738 7.422 0.443) 10.034 6.764 ( 1.717 4.129 -4.076) 6.050 6.808 ( 3.586 5.382 3.273) 7.248 7.991 ( -0.143 0.313 -4.302) 4.315 8.019 ( 1.038 1.164 3.675) 3.993 8.497 ( -0.279 -0.423 0.275) 0.576 9.451 ( 1.547 2.684 0.158) 3.102 9.602 ( 1.259 2.165 2.732) 3.707 9.663 ( 3.407 6.009 -2.337) 7.292 10.497 ( -0.611 -1.952 -1.147) 2.345 10.564 ( 0.427 1.512 0.323) 1.604 11.026 ( -3.355 -3.277 2.891) 5.509 11.152 ( 1.266 -7.810 2.753) 8.377 11.292 ( -5.371 2.941 -6.903) 9.227 11.534 ( 6.332 -0.427 -1.274) 6.473 11.565 ( -1.607 4.754 5.158) 7.196 11.712 ( -4.012 -8.948 1.944) 9.997 11.902 ( 4.615 9.336 -3.577) 11.012 12.397 ( -0.880 -0.974 -0.386) 1.368 12.429 ( 0.621 0.254 -0.918) 1.138 13.390 ( 1.790 3.269 0.845) 3.822 13.609 ( 0.971 0.515 3.883) 4.036 13.661 ( 2.050 4.913 -3.416) 6.325 14.540 ( -6.314 -12.563 0.858) 14.087 14.679 ( 0.612 1.432 3.560) 3.885 14.807 ( 4.779 9.256 -5.595) 11.824 15.714 ( -2.781 -4.080 2.477) 5.524 16.074 ( 8.683 14.218 -2.454) 16.840 16.651 ( -5.609 -10.386 -1.270) 11.872 16.797 ( 1.586 3.551 2.366) 4.552 17.982 ( -0.952 -1.511 -0.190) 1.796 18.922 ( -1.250 -8.157 -5.424) 9.875 18.970 ( -4.589 -1.934 5.848) 7.681 19.530 ( -2.814 -4.567 4.731) 7.153 19.685 ( 2.727 4.188 -5.286) 7.275 21.977 ( 1.140 1.975 0.026) 2.280 ======================= Grid point 318 (90/90) ======================= q-point: (-0.50 -0.50 0.50) 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.16e-06 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -0.000 0.000 0.000) 0.000 1.914 ( 0.000 0.000 0.000) 0.000 1.914 ( 0.000 0.000 0.000) 0.000 2.763 ( 0.000 0.000 0.000) 0.000 3.132 ( -0.000 0.000 0.000) 0.000 3.235 ( 0.000 -0.000 -0.000) 0.000 3.235 ( -0.000 0.000 0.000) 0.000 3.286 ( -0.000 0.000 -0.000) 0.000 3.286 ( 0.000 0.000 0.000) 0.000 3.366 ( -0.000 0.000 0.000) 0.000 3.366 ( 0.000 0.000 0.000) 0.000 3.648 ( -0.000 0.000 -0.000) 0.000 3.648 ( 0.000 0.000 0.000) 0.000 3.844 ( 0.000 0.000 -0.000) 0.000 4.673 ( 0.000 0.000 0.000) 0.000 4.673 ( -0.000 0.000 0.000) 0.000 5.018 ( -0.000 0.000 0.000) 0.000 5.322 ( -0.000 0.000 0.000) 0.000 5.322 ( -0.000 0.000 0.000) 0.000 5.513 ( -0.000 0.000 0.000) 0.000 5.891 ( -0.000 0.000 0.000) 0.000 6.008 ( -0.000 0.000 0.000) 0.000 6.711 ( 0.000 0.000 -0.000) 0.000 6.711 ( 0.000 0.000 0.000) 0.000 7.990 ( -0.000 0.000 -0.000) 0.000 7.990 ( -0.000 0.000 0.000) 0.000 8.512 ( -0.000 0.000 0.000) 0.000 9.412 ( -0.000 0.000 0.000) 0.000 9.568 ( 0.000 0.000 -0.000) 0.000 9.568 ( 0.000 0.000 0.000) 0.000 10.522 ( -0.000 0.000 0.000) 0.000 10.522 ( 0.000 0.000 0.000) 0.000 11.069 ( -0.000 0.000 0.000) 0.000 11.323 ( -0.000 0.000 -0.000) 0.000 11.323 ( -0.000 0.000 0.000) 0.000 11.490 ( -0.000 0.000 0.000) 0.000 11.490 ( 0.000 0.000 0.000) 0.000 11.689 ( 0.000 0.000 -0.000) 0.000 11.876 ( 0.000 0.000 0.000) 0.000 12.417 ( -0.000 0.000 0.000) 0.000 12.417 ( 0.000 0.000 0.000) 0.000 13.357 ( 0.000 0.000 0.000) 0.000 13.579 ( -0.000 0.000 0.000) 0.000 13.579 ( 0.000 0.000 0.000) 0.000 14.651 ( 0.000 0.000 -0.000) 0.000 14.651 ( -0.000 0.000 0.000) 0.000 14.820 ( -0.000 0.000 0.000) 0.000 15.789 ( -0.000 0.000 0.000) 0.000 15.789 ( 0.000 0.000 0.000) 0.000 16.741 ( 0.000 0.000 -0.000) 0.000 16.809 ( -0.000 0.000 0.000) 0.000 18.009 ( 0.000 0.000 0.000) 0.000 19.022 ( 0.000 0.000 -0.000) 0.000 19.022 ( -0.000 0.000 0.000) 0.000 19.609 ( -0.000 0.000 0.000) 0.000 19.609 ( 0.000 0.000 0.000) 0.000 21.944 ( -0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/29184 10.0 1833.755 1833.755 2386.336 -0.000 -0.000 -0.000 3/29184 20.0 263.699 263.699 408.379 -0.000 -0.000 -0.000 3/29184 30.0 104.387 104.387 171.193 -0.000 -0.000 -0.000 3/29184 40.0 59.520 59.520 99.004 -0.000 -0.000 -0.000 3/29184 50.0 40.417 40.417 67.300 -0.000 -0.000 -0.000 3/29184 60.0 30.190 30.190 50.139 -0.000 -0.000 -0.000 3/29184 70.0 23.890 23.890 39.545 -0.000 -0.000 -0.000 3/29184 80.0 19.645 19.645 32.412 -0.000 -0.000 -0.000 3/29184 90.0 16.604 16.604 27.312 -0.000 -0.000 -0.000 3/29184 100.0 14.330 14.330 23.505 -0.000 -0.000 -0.000 3/29184 110.0 12.573 12.573 20.569 -0.000 -0.000 -0.000 3/29184 120.0 11.181 11.181 18.247 -0.000 -0.000 -0.000 3/29184 130.0 10.055 10.055 16.371 -0.000 -0.000 -0.000 3/29184 140.0 9.129 9.129 14.830 -0.000 -0.000 -0.000 3/29184 150.0 8.356 8.356 13.545 -0.000 -0.000 -0.000 3/29184 160.0 7.702 7.702 12.459 -0.000 -0.000 -0.000 3/29184 170.0 7.142 7.142 11.531 -0.000 -0.000 -0.000 3/29184 180.0 6.659 6.659 10.730 -0.000 -0.000 -0.000 3/29184 190.0 6.237 6.237 10.032 -0.000 -0.000 -0.000 3/29184 200.0 5.866 5.866 9.420 -0.000 -0.000 -0.000 3/29184 210.0 5.537 5.537 8.878 -0.000 -0.000 -0.000 3/29184 220.0 5.244 5.244 8.396 -0.000 -0.000 -0.000 3/29184 230.0 4.981 4.981 7.964 -0.000 -0.000 -0.000 3/29184 240.0 4.744 4.744 7.575 -0.000 -0.000 -0.000 3/29184 250.0 4.529 4.529 7.223 -0.000 -0.000 -0.000 3/29184 260.0 4.333 4.333 6.903 -0.000 -0.000 -0.000 3/29184 270.0 4.154 4.154 6.610 -0.000 -0.000 -0.000 3/29184 280.0 3.989 3.989 6.342 -0.000 -0.000 -0.000 3/29184 290.0 3.837 3.837 6.096 -0.000 -0.000 -0.000 3/29184 300.0 3.697 3.697 5.868 -0.000 -0.000 -0.000 3/29184 310.0 3.567 3.567 5.657 -0.000 -0.000 -0.000 3/29184 320.0 3.446 3.446 5.461 -0.000 -0.000 -0.000 3/29184 330.0 3.333 3.333 5.278 -0.000 -0.000 -0.000 3/29184 340.0 3.227 3.227 5.108 -0.000 -0.000 -0.000 3/29184 350.0 3.129 3.129 4.948 -0.000 -0.000 -0.000 3/29184 360.0 3.036 3.036 4.799 -0.000 -0.000 -0.000 3/29184 370.0 2.948 2.948 4.658 -0.000 -0.000 -0.000 3/29184 380.0 2.866 2.866 4.525 -0.000 -0.000 -0.000 3/29184 390.0 2.788 2.788 4.401 -0.000 -0.000 -0.000 3/29184 400.0 2.714 2.714 4.282 -0.000 -0.000 -0.000 3/29184 410.0 2.645 2.645 4.171 -0.000 -0.000 -0.000 3/29184 420.0 2.579 2.579 4.065 -0.000 -0.000 -0.000 3/29184 430.0 2.516 2.516 3.964 -0.000 -0.000 -0.000 3/29184 440.0 2.456 2.456 3.869 -0.000 -0.000 -0.000 3/29184 450.0 2.399 2.399 3.777 -0.000 -0.000 -0.000 3/29184 460.0 2.345 2.345 3.691 -0.000 -0.000 -0.000 3/29184 470.0 2.293 2.293 3.608 -0.000 -0.000 -0.000 3/29184 480.0 2.243 2.243 3.529 -0.000 -0.000 -0.000 3/29184 490.0 2.196 2.196 3.453 -0.000 -0.000 -0.000 3/29184 500.0 2.150 2.150 3.381 -0.000 -0.000 -0.000 3/29184 510.0 2.106 2.106 3.311 -0.000 -0.000 -0.000 3/29184 520.0 2.065 2.065 3.245 -0.000 -0.000 -0.000 3/29184 530.0 2.024 2.024 3.181 -0.000 -0.000 -0.000 3/29184 540.0 1.986 1.986 3.120 -0.000 -0.000 -0.000 3/29184 550.0 1.949 1.949 3.061 -0.000 -0.000 -0.000 3/29184 560.0 1.913 1.913 3.004 -0.000 -0.000 -0.000 3/29184 570.0 1.878 1.878 2.949 -0.000 -0.000 -0.000 3/29184 580.0 1.845 1.845 2.897 -0.000 -0.000 -0.000 3/29184 590.0 1.813 1.813 2.846 -0.000 -0.000 -0.000 3/29184 600.0 1.782 1.782 2.797 -0.000 -0.000 -0.000 3/29184 610.0 1.752 1.752 2.749 -0.000 -0.000 -0.000 3/29184 620.0 1.723 1.723 2.704 -0.000 -0.000 -0.000 3/29184 630.0 1.695 1.695 2.659 -0.000 -0.000 -0.000 3/29184 640.0 1.668 1.668 2.617 -0.000 -0.000 -0.000 3/29184 650.0 1.642 1.642 2.575 -0.000 -0.000 -0.000 3/29184 660.0 1.617 1.617 2.535 -0.000 -0.000 -0.000 3/29184 670.0 1.592 1.592 2.496 -0.000 -0.000 -0.000 3/29184 680.0 1.568 1.568 2.458 -0.000 -0.000 -0.000 3/29184 690.0 1.545 1.545 2.422 -0.000 -0.000 -0.000 3/29184 700.0 1.522 1.522 2.386 -0.000 -0.000 -0.000 3/29184 710.0 1.501 1.501 2.352 -0.000 -0.000 -0.000 3/29184 720.0 1.479 1.479 2.319 -0.000 -0.000 -0.000 3/29184 730.0 1.459 1.459 2.286 -0.000 -0.000 -0.000 3/29184 740.0 1.439 1.439 2.254 -0.000 -0.000 -0.000 3/29184 750.0 1.419 1.419 2.224 -0.000 -0.000 -0.000 3/29184 760.0 1.400 1.400 2.194 -0.000 -0.000 -0.000 3/29184 770.0 1.382 1.382 2.165 -0.000 -0.000 -0.000 3/29184 780.0 1.364 1.364 2.136 -0.000 -0.000 -0.000 3/29184 790.0 1.346 1.346 2.109 -0.000 -0.000 -0.000 3/29184 800.0 1.329 1.329 2.082 -0.000 -0.000 -0.000 3/29184 810.0 1.313 1.313 2.056 -0.000 -0.000 -0.000 3/29184 820.0 1.296 1.296 2.030 -0.000 -0.000 -0.000 3/29184 830.0 1.281 1.281 2.005 -0.000 -0.000 -0.000 3/29184 840.0 1.265 1.265 1.981 -0.000 -0.000 -0.000 3/29184 850.0 1.250 1.250 1.957 -0.000 -0.000 -0.000 3/29184 860.0 1.235 1.235 1.934 -0.000 -0.000 -0.000 3/29184 870.0 1.221 1.221 1.912 -0.000 -0.000 -0.000 3/29184 880.0 1.207 1.207 1.890 -0.000 -0.000 -0.000 3/29184 890.0 1.193 1.193 1.868 -0.000 -0.000 -0.000 3/29184 900.0 1.180 1.180 1.847 -0.000 -0.000 -0.000 3/29184 910.0 1.167 1.167 1.826 -0.000 -0.000 -0.000 3/29184 920.0 1.154 1.154 1.806 -0.000 -0.000 -0.000 3/29184 930.0 1.141 1.141 1.786 -0.000 -0.000 -0.000 3/29184 940.0 1.129 1.129 1.767 -0.000 -0.000 -0.000 3/29184 950.0 1.117 1.117 1.748 -0.000 -0.000 -0.000 3/29184 960.0 1.105 1.105 1.730 -0.000 -0.000 -0.000 3/29184 970.0 1.094 1.094 1.712 -0.000 -0.000 -0.000 3/29184 980.0 1.083 1.083 1.694 -0.000 -0.000 -0.000 3/29184 990.0 1.072 1.072 1.677 -0.000 -0.000 -0.000 3/29184 1000.0 1.061 1.061 1.660 -0.000 -0.000 -0.000 3/29184 Thermal conductivity related properties were written into "kappa-m888.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:56:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|