----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:48:19]------------------------- 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 4.757376390387853 2.746672539626791 3.011954273333330 b -4.757376390387843 2.746672539626791 3.011954273333330 c 0.000000000000005 -5.493345079253590 3.011954273333330 Atomic positions (fractional): *1 Lu 0.68103239037793 0.85515467853594 0.38940935321927 174.967 2 Lu 0.14484532146406 0.61059064678073 0.31896760962207 174.967 3 Lu 0.38940935321927 0.68103239037793 0.85515467853594 174.967 4 Lu 0.61059064678073 0.31896760962207 0.14484532146406 174.967 5 Lu 0.85515467853594 0.38940935321927 0.68103239037793 174.967 6 Lu 0.31896760962207 0.14484532146406 0.61059064678073 174.967 *7 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 *8 O 0.07470174054562 0.96281337270405 0.30398592604372 15.999 9 O 0.69601407395628 0.92529825945438 0.03718662729595 15.999 *10 O 0.40938391296251 0.82262705785372 0.57009352240804 15.999 11 O 0.03718662729595 0.69601407395628 0.92529825945438 15.999 12 O 0.42990647759196 0.59061608703749 0.17737294214628 15.999 13 O 0.82262705785372 0.57009352240804 0.40938391296251 15.999 14 O 0.17737294214628 0.42990647759196 0.59061608703749 15.999 15 O 0.57009352240804 0.40938391296251 0.82262705785372 15.999 16 O 0.96281337270405 0.30398592604372 0.07470174054562 15.999 17 O 0.59061608703749 0.17737294214628 0.42990647759196 15.999 18 O 0.30398592604372 0.07470174054562 0.96281337270405 15.999 19 O 0.92529825945438 0.03718662729595 0.69601407395628 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.514752780775696 0.000000000000000 0.000000000000000 b -4.757376390387848 8.240017618880382 0.000000000000000 c 0.000000000000000 0.000000000000000 9.035862820000000 Atomic positions (fractional): *1 Lu 0.03916691633355 0.25245612082511 0.64186547404438 174.967 > 1 2 Lu 0.78671079550844 0.03916691633355 0.35813452595562 174.967 > 2 3 Lu 0.74754387917489 0.78671079550844 0.64186547404438 174.967 > 3 4 Lu 0.25245612082511 0.21328920449156 0.35813452595562 174.967 > 4 5 Lu 0.21328920449156 0.96083308366645 0.64186547404438 174.967 > 5 6 Lu 0.96083308366645 0.74754387917489 0.35813452595562 174.967 > 6 7 Lu 0.70583358300022 0.58578945415845 0.97519880737771 174.967 > 1 8 Lu 0.45337746217511 0.37250024966689 0.69146785928895 174.967 > 2 9 Lu 0.41421054584155 0.12004412884177 0.97519880737771 174.967 > 3 10 Lu 0.91912278749178 0.54662253782489 0.69146785928895 174.967 > 4 11 Lu 0.87995587115823 0.29416641699978 0.97519880737771 174.967 > 5 12 Lu 0.62749975033311 0.08087721250822 0.69146785928895 174.967 > 6 13 Lu 0.37250024966689 0.91912278749178 0.30853214071105 174.967 > 1 14 Lu 0.12004412884177 0.70583358300022 0.02480119262229 174.967 > 2 15 Lu 0.08087721250822 0.45337746217511 0.30853214071105 174.967 > 3 16 Lu 0.58578945415845 0.87995587115823 0.02480119262229 174.967 > 4 17 Lu 0.54662253782489 0.62749975033311 0.30853214071105 174.967 > 5 18 Lu 0.29416641699978 0.41421054584155 0.02480119262229 174.967 > 6 *19 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 7 20 Te 0.66666666666667 0.33333333333333 0.33333333333333 127.600 > 7 21 Te 0.33333333333333 0.66666666666667 0.66666666666667 127.600 > 7 *22 O 0.62753472744783 0.14318108705408 0.44716701309779 15.999 > 8 23 O 0.14318108705408 0.51564635960625 0.55283298690220 15.999 > 9 *24 O 0.80868241522108 0.03060797533338 0.60070149774142 15.999 > 10 25 O 0.48435364039375 0.62753472744783 0.55283298690220 15.999 > 11 26 O 0.03060797533338 0.22192556011230 0.39929850225858 15.999 > 12 27 O 0.22192556011230 0.19131758477892 0.60070149774142 15.999 > 13 28 O 0.77807443988770 0.80868241522108 0.39929850225858 15.999 > 14 29 O 0.96939202466662 0.77807443988770 0.60070149774142 15.999 > 15 30 O 0.51564635960625 0.37246527255217 0.44716701309779 15.999 > 16 31 O 0.19131758477892 0.96939202466662 0.39929850225858 15.999 > 17 32 O 0.85681891294592 0.48435364039375 0.44716701309779 15.999 > 18 33 O 0.37246527255217 0.85681891294592 0.55283298690220 15.999 > 19 34 O 0.29420139411449 0.47651442038741 0.78050034643113 15.999 > 8 35 O 0.80984775372075 0.84897969293958 0.88616632023554 15.999 > 9 36 O 0.47534908188775 0.36394130866671 0.93403483107476 15.999 > 10 37 O 0.15102030706041 0.96086806078116 0.88616632023554 15.999 > 11 38 O 0.69727464200005 0.55525889344563 0.73263183559191 15.999 > 12 39 O 0.88859222677896 0.52465091811225 0.93403483107476 15.999 > 13 40 O 0.44474110655437 0.14201574855442 0.73263183559191 15.999 > 14 41 O 0.63605869133329 0.11140777322104 0.93403483107476 15.999 > 15 42 O 0.18231302627292 0.70579860588551 0.78050034643113 15.999 > 16 43 O 0.85798425144558 0.30272535799995 0.73263183559191 15.999 > 17 44 O 0.52348557961259 0.81768697372708 0.78050034643113 15.999 > 18 45 O 0.03913193921884 0.19015224627926 0.88616632023554 15.999 > 19 46 O 0.96086806078116 0.80984775372075 0.11383367976446 15.999 > 8 47 O 0.47651442038741 0.18231302627292 0.21949965356887 15.999 > 9 48 O 0.14201574855442 0.69727464200005 0.26736816440809 15.999 > 10 49 O 0.81768697372708 0.29420139411449 0.21949965356887 15.999 > 11 50 O 0.36394130866671 0.88859222677896 0.06596516892524 15.999 > 12 51 O 0.55525889344563 0.85798425144558 0.26736816440809 15.999 > 13 52 O 0.11140777322104 0.47534908188775 0.06596516892524 15.999 > 14 53 O 0.30272535799995 0.44474110655437 0.26736816440809 15.999 > 15 54 O 0.84897969293958 0.03913193921884 0.11383367976446 15.999 > 16 55 O 0.52465091811225 0.63605869133329 0.06596516892524 15.999 > 17 56 O 0.19015224627926 0.15102030706041 0.11383367976446 15.999 > 18 57 O 0.70579860588551 0.52348557961259 0.21949965356887 15.999 > 19 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.514752780775696 0.000000000000000 0.000000000000000 b -4.757376390387848 8.240017618880382 0.000000000000000 c 0.000000000000000 0.000000000000000 18.071725640000000 Atomic positions (fractional): *1 Lu 0.03916691633355 0.25245612082511 0.32093273702219 174.967 > 1 2 Lu 0.03916691633355 0.25245612082511 0.82093273702219 174.967 > 1 3 Lu 0.78671079550844 0.03916691633355 0.17906726297781 174.967 > 2 4 Lu 0.78671079550844 0.03916691633355 0.67906726297781 174.967 > 2 5 Lu 0.74754387917489 0.78671079550844 0.32093273702219 174.967 > 3 6 Lu 0.74754387917489 0.78671079550844 0.82093273702219 174.967 > 3 7 Lu 0.25245612082511 0.21328920449156 0.17906726297781 174.967 > 4 8 Lu 0.25245612082511 0.21328920449156 0.67906726297781 174.967 > 4 9 Lu 0.21328920449156 0.96083308366645 0.32093273702219 174.967 > 5 10 Lu 0.21328920449156 0.96083308366645 0.82093273702219 174.967 > 5 11 Lu 0.96083308366645 0.74754387917489 0.17906726297781 174.967 > 6 12 Lu 0.96083308366645 0.74754387917489 0.67906726297781 174.967 > 6 13 Lu 0.70583358300022 0.58578945415845 0.48759940368886 174.967 > 1 14 Lu 0.70583358300022 0.58578945415845 0.98759940368886 174.967 > 1 15 Lu 0.45337746217511 0.37250024966689 0.34573392964448 174.967 > 2 16 Lu 0.45337746217511 0.37250024966689 0.84573392964448 174.967 > 2 17 Lu 0.41421054584155 0.12004412884177 0.48759940368886 174.967 > 3 18 Lu 0.41421054584155 0.12004412884177 0.98759940368886 174.967 > 3 19 Lu 0.91912278749178 0.54662253782489 0.34573392964448 174.967 > 4 20 Lu 0.91912278749178 0.54662253782489 0.84573392964448 174.967 > 4 21 Lu 0.87995587115823 0.29416641699978 0.48759940368886 174.967 > 5 22 Lu 0.87995587115823 0.29416641699978 0.98759940368886 174.967 > 5 23 Lu 0.62749975033311 0.08087721250822 0.34573392964448 174.967 > 6 24 Lu 0.62749975033311 0.08087721250822 0.84573392964448 174.967 > 6 25 Lu 0.37250024966689 0.91912278749178 0.15426607035552 174.967 > 1 26 Lu 0.37250024966689 0.91912278749178 0.65426607035552 174.967 > 1 27 Lu 0.12004412884177 0.70583358300022 0.01240059631114 174.967 > 2 28 Lu 0.12004412884177 0.70583358300022 0.51240059631114 174.967 > 2 29 Lu 0.08087721250822 0.45337746217511 0.15426607035552 174.967 > 3 30 Lu 0.08087721250822 0.45337746217511 0.65426607035552 174.967 > 3 31 Lu 0.58578945415845 0.87995587115823 0.01240059631114 174.967 > 4 32 Lu 0.58578945415845 0.87995587115823 0.51240059631114 174.967 > 4 33 Lu 0.54662253782489 0.62749975033311 0.15426607035552 174.967 > 5 34 Lu 0.54662253782489 0.62749975033311 0.65426607035552 174.967 > 5 35 Lu 0.29416641699978 0.41421054584155 0.01240059631114 174.967 > 6 36 Lu 0.29416641699978 0.41421054584155 0.51240059631114 174.967 > 6 *37 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 7 38 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 7 39 Te 0.66666666666667 0.33333333333333 0.16666666666667 127.600 > 7 40 Te 0.66666666666667 0.33333333333333 0.66666666666667 127.600 > 7 41 Te 0.33333333333333 0.66666666666667 0.33333333333333 127.600 > 7 42 Te 0.33333333333333 0.66666666666667 0.83333333333333 127.600 > 7 *43 O 0.62753472744783 0.14318108705408 0.22358350654890 15.999 > 8 44 O 0.62753472744783 0.14318108705408 0.72358350654890 15.999 > 8 45 O 0.14318108705408 0.51564635960625 0.27641649345110 15.999 > 9 46 O 0.14318108705408 0.51564635960625 0.77641649345110 15.999 > 9 *47 O 0.80868241522108 0.03060797533338 0.30035074887071 15.999 > 10 48 O 0.80868241522108 0.03060797533338 0.80035074887071 15.999 > 10 49 O 0.48435364039375 0.62753472744783 0.27641649345110 15.999 > 11 50 O 0.48435364039375 0.62753472744783 0.77641649345110 15.999 > 11 51 O 0.03060797533338 0.22192556011230 0.19964925112929 15.999 > 12 52 O 0.03060797533338 0.22192556011230 0.69964925112929 15.999 > 12 53 O 0.22192556011230 0.19131758477892 0.30035074887071 15.999 > 13 54 O 0.22192556011230 0.19131758477892 0.80035074887071 15.999 > 13 55 O 0.77807443988770 0.80868241522108 0.19964925112929 15.999 > 14 56 O 0.77807443988770 0.80868241522108 0.69964925112929 15.999 > 14 57 O 0.96939202466662 0.77807443988770 0.30035074887071 15.999 > 15 58 O 0.96939202466662 0.77807443988770 0.80035074887071 15.999 > 15 59 O 0.51564635960625 0.37246527255217 0.22358350654890 15.999 > 16 60 O 0.51564635960625 0.37246527255217 0.72358350654890 15.999 > 16 61 O 0.19131758477892 0.96939202466662 0.19964925112929 15.999 > 17 62 O 0.19131758477892 0.96939202466662 0.69964925112929 15.999 > 17 63 O 0.85681891294592 0.48435364039375 0.22358350654890 15.999 > 18 64 O 0.85681891294592 0.48435364039375 0.72358350654890 15.999 > 18 65 O 0.37246527255217 0.85681891294592 0.27641649345110 15.999 > 19 66 O 0.37246527255217 0.85681891294592 0.77641649345110 15.999 > 19 67 O 0.29420139411449 0.47651442038741 0.39025017321556 15.999 > 8 68 O 0.29420139411449 0.47651442038741 0.89025017321556 15.999 > 8 69 O 0.80984775372075 0.84897969293958 0.44308316011777 15.999 > 9 70 O 0.80984775372075 0.84897969293958 0.94308316011777 15.999 > 9 71 O 0.47534908188775 0.36394130866671 0.46701741553738 15.999 > 10 72 O 0.47534908188775 0.36394130866671 0.96701741553738 15.999 > 10 73 O 0.15102030706041 0.96086806078116 0.44308316011777 15.999 > 11 74 O 0.15102030706041 0.96086806078116 0.94308316011777 15.999 > 11 75 O 0.69727464200005 0.55525889344563 0.36631591779595 15.999 > 12 76 O 0.69727464200005 0.55525889344563 0.86631591779595 15.999 > 12 77 O 0.88859222677896 0.52465091811225 0.46701741553738 15.999 > 13 78 O 0.88859222677896 0.52465091811225 0.96701741553738 15.999 > 13 79 O 0.44474110655437 0.14201574855442 0.36631591779595 15.999 > 14 80 O 0.44474110655437 0.14201574855442 0.86631591779595 15.999 > 14 81 O 0.63605869133329 0.11140777322104 0.46701741553738 15.999 > 15 82 O 0.63605869133329 0.11140777322104 0.96701741553738 15.999 > 15 83 O 0.18231302627292 0.70579860588551 0.39025017321556 15.999 > 16 84 O 0.18231302627292 0.70579860588551 0.89025017321556 15.999 > 16 85 O 0.85798425144558 0.30272535799995 0.36631591779595 15.999 > 17 86 O 0.85798425144558 0.30272535799995 0.86631591779595 15.999 > 17 87 O 0.52348557961259 0.81768697372708 0.39025017321556 15.999 > 18 88 O 0.52348557961259 0.81768697372708 0.89025017321556 15.999 > 18 89 O 0.03913193921884 0.19015224627926 0.44308316011777 15.999 > 19 90 O 0.03913193921884 0.19015224627926 0.94308316011777 15.999 > 19 91 O 0.96086806078116 0.80984775372075 0.05691683988223 15.999 > 8 92 O 0.96086806078116 0.80984775372075 0.55691683988223 15.999 > 8 93 O 0.47651442038741 0.18231302627292 0.10974982678444 15.999 > 9 94 O 0.47651442038741 0.18231302627292 0.60974982678444 15.999 > 9 95 O 0.14201574855442 0.69727464200005 0.13368408220405 15.999 > 10 96 O 0.14201574855442 0.69727464200005 0.63368408220405 15.999 > 10 97 O 0.81768697372708 0.29420139411449 0.10974982678444 15.999 > 11 98 O 0.81768697372708 0.29420139411449 0.60974982678444 15.999 > 11 99 O 0.36394130866671 0.88859222677896 0.03298258446262 15.999 > 12 100 O 0.36394130866671 0.88859222677896 0.53298258446262 15.999 > 12 101 O 0.55525889344563 0.85798425144558 0.13368408220405 15.999 > 13 102 O 0.55525889344563 0.85798425144558 0.63368408220405 15.999 > 13 103 O 0.11140777322104 0.47534908188775 0.03298258446262 15.999 > 14 104 O 0.11140777322104 0.47534908188775 0.53298258446262 15.999 > 14 105 O 0.30272535799995 0.44474110655437 0.13368408220405 15.999 > 15 106 O 0.30272535799995 0.44474110655437 0.63368408220405 15.999 > 15 107 O 0.84897969293958 0.03913193921884 0.05691683988223 15.999 > 16 108 O 0.84897969293958 0.03913193921884 0.55691683988223 15.999 > 16 109 O 0.52465091811225 0.63605869133329 0.03298258446262 15.999 > 17 110 O 0.52465091811225 0.63605869133329 0.53298258446262 15.999 > 17 111 O 0.19015224627926 0.15102030706041 0.05691683988223 15.999 > 18 112 O 0.19015224627926 0.15102030706041 0.55691683988223 15.999 > 18 113 O 0.70579860588551 0.52348557961259 0.10974982678444 15.999 > 19 114 O 0.70579860588551 0.52348557961259 0.60974982678444 15.999 > 19 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1756978 0.0000059 0.0000000 -0.0000059 4.1756978 0.0000000 0.0000000 0.0000000 4.0760212 -------------------------- Born effective charges -------------------------- 1 Lu 3.8946329 0.2463770 -0.2860923 0.1726612 3.4799068 -0.0463293 -0.3858326 0.2084370 3.7470104 2 Lu 3.4021395 0.1116800 0.1029238 0.0379642 3.9724002 0.2709279 0.3734280 0.2299224 3.7470104 3 Lu 3.7650372 -0.2474833 0.1831685 -0.3211991 3.6095025 -0.2245986 0.0124046 -0.4383593 3.7470104 4 Lu 3.7650372 -0.2474833 0.1831685 -0.3211991 3.6095025 -0.2245986 0.0124046 -0.4383593 3.7470104 5 Lu 3.4021395 0.1116800 0.1029238 0.0379642 3.9724002 0.2709279 0.3734280 0.2299224 3.7470104 6 Lu 3.8946329 0.2463770 -0.2860923 0.1726612 3.4799068 -0.0463293 -0.3858326 0.2084370 3.7470104 7 Te 5.4348312 -0.0581459 -0.0000000 0.0581459 5.4348312 -0.0000000 -0.0000000 0.0000000 4.5063744 8 O -1.9080279 0.3015783 -0.1459454 0.3403732 -2.2001767 0.3410222 -0.1996513 0.4288544 -2.2299634 9 O -1.8491663 -0.3063895 -0.2223612 -0.2675946 -2.2590382 -0.2969035 -0.2715732 -0.3873303 -2.2299634 10 O -2.2825750 0.0226940 0.1733732 0.0382330 -2.7953706 -0.0194628 0.0643901 0.0567335 -2.2681094 11 O -2.4051127 -0.0533812 0.3683066 -0.0145862 -1.7030919 -0.0441187 0.4712245 -0.0415242 -2.2299634 12 O -2.6407895 -0.2450482 -0.0698313 -0.2295093 -2.4371560 0.1598770 -0.0813278 0.0273967 -2.2681094 13 O -2.6935538 0.1990458 -0.1035419 0.2145847 -2.3843917 -0.1404142 0.0169376 -0.0841303 -2.2681094 14 O -2.6935538 0.1990458 -0.1035419 0.2145847 -2.3843917 -0.1404142 0.0169376 -0.0841303 -2.2681094 15 O -2.6407895 -0.2450482 -0.0698313 -0.2295093 -2.4371560 0.1598770 -0.0813278 0.0273967 -2.2681094 16 O -2.4051127 -0.0533812 0.3683066 -0.0145862 -1.7030919 -0.0441187 0.4712245 -0.0415242 -2.2299634 17 O -2.2825750 0.0226940 0.1733732 0.0382330 -2.7953706 -0.0194628 0.0643901 0.0567335 -2.2681094 18 O -1.8491663 -0.3063895 -0.2223612 -0.2675946 -2.2590382 -0.2969035 -0.2715732 -0.3873303 -2.2299634 19 O -1.9080279 0.3015783 -0.1459454 0.3403732 -2.2001767 0.3410222 -0.1996513 0.4288544 -2.2299634 ---------------------------------------------------------------------------- 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: 756 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) 237 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 748 / 748 (1) 241 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 7 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) 212 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 8 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, 8), data: (720, 20) @ (20, 8) |-- (220, 212), 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, 7), data: (748, 20) @ (20, 7) |-- (248, 241), data: True |-- (500, 487), data: False |-- (500, 13), data: (500, 26) @ (26, 13) |-- (250, 237), data: True |-- (250, 237), data: True ----- Solver_atoms: 1 -- 114 / 114 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 400 - Time: 2.634 Solver_block: 200 / 400 - Time: 2.542 Solver_block: 300 / 400 - Time: 2.535 Solver_block: 400 / 400 - Time: 2.542 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 10.297 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) 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: 756 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) 237 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 748 / 748 (1) 241 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 7 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) 212 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 8 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, 8), data: (720, 20) @ (20, 8) |-- (220, 212), 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, 7), data: (748, 20) @ (20, 7) |-- (248, 241), data: True |-- (500, 487), data: False |-- (500, 13), data: (500, 26) @ (26, 13) |-- (250, 237), data: True |-- (250, 237), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) 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 23:48:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:48:47]------------------------- 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 4.757376390387853 2.746672539626791 3.011954273333330 b -4.757376390387843 2.746672539626791 3.011954273333330 c 0.000000000000005 -5.493345079253590 3.011954273333330 Atomic positions (fractional): 1 Lu 0.68103239037793 0.85515467853594 0.38940935321927 174.967 2 Lu 0.14484532146406 0.61059064678073 0.31896760962207 174.967 3 Lu 0.38940935321927 0.68103239037793 0.85515467853594 174.967 4 Lu 0.61059064678073 0.31896760962207 0.14484532146406 174.967 5 Lu 0.85515467853594 0.38940935321927 0.68103239037793 174.967 6 Lu 0.31896760962207 0.14484532146406 0.61059064678073 174.967 7 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 8 O 0.07470174054562 0.96281337270405 0.30398592604372 15.999 9 O 0.69601407395628 0.92529825945438 0.03718662729595 15.999 10 O 0.40938391296251 0.82262705785372 0.57009352240804 15.999 11 O 0.03718662729595 0.69601407395628 0.92529825945438 15.999 12 O 0.42990647759196 0.59061608703749 0.17737294214628 15.999 13 O 0.82262705785372 0.57009352240804 0.40938391296251 15.999 14 O 0.17737294214628 0.42990647759196 0.59061608703749 15.999 15 O 0.57009352240804 0.40938391296251 0.82262705785372 15.999 16 O 0.96281337270405 0.30398592604372 0.07470174054562 15.999 17 O 0.59061608703749 0.17737294214628 0.42990647759196 15.999 18 O 0.30398592604372 0.07470174054562 0.96281337270405 15.999 19 O 0.92529825945438 0.03718662729595 0.69601407395628 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.514752780775696 0.000000000000000 0.000000000000000 b -4.757376390387848 8.240017618880382 0.000000000000000 c 0.000000000000000 0.000000000000000 18.071725640000000 Atomic positions (fractional): 1 Lu 0.03916691633355 0.25245612082511 0.32093273702219 174.967 > 1 2 Lu 0.03916691633355 0.25245612082511 0.82093273702219 174.967 > 1 3 Lu 0.78671079550844 0.03916691633355 0.17906726297781 174.967 > 3 4 Lu 0.78671079550844 0.03916691633355 0.67906726297781 174.967 > 3 5 Lu 0.74754387917489 0.78671079550844 0.32093273702219 174.967 > 5 6 Lu 0.74754387917489 0.78671079550844 0.82093273702219 174.967 > 5 7 Lu 0.25245612082511 0.21328920449156 0.17906726297781 174.967 > 7 8 Lu 0.25245612082511 0.21328920449156 0.67906726297781 174.967 > 7 9 Lu 0.21328920449156 0.96083308366645 0.32093273702219 174.967 > 9 10 Lu 0.21328920449156 0.96083308366645 0.82093273702219 174.967 > 9 11 Lu 0.96083308366645 0.74754387917489 0.17906726297781 174.967 > 11 12 Lu 0.96083308366645 0.74754387917489 0.67906726297781 174.967 > 11 13 Lu 0.70583358300022 0.58578945415845 0.48759940368886 174.967 > 1 14 Lu 0.70583358300022 0.58578945415845 0.98759940368886 174.967 > 1 15 Lu 0.45337746217511 0.37250024966689 0.34573392964448 174.967 > 3 16 Lu 0.45337746217511 0.37250024966689 0.84573392964448 174.967 > 3 17 Lu 0.41421054584155 0.12004412884177 0.48759940368886 174.967 > 5 18 Lu 0.41421054584155 0.12004412884177 0.98759940368886 174.967 > 5 19 Lu 0.91912278749178 0.54662253782489 0.34573392964448 174.967 > 7 20 Lu 0.91912278749178 0.54662253782489 0.84573392964448 174.967 > 7 21 Lu 0.87995587115823 0.29416641699978 0.48759940368886 174.967 > 9 22 Lu 0.87995587115823 0.29416641699978 0.98759940368886 174.967 > 9 23 Lu 0.62749975033311 0.08087721250822 0.34573392964448 174.967 > 11 24 Lu 0.62749975033311 0.08087721250822 0.84573392964448 174.967 > 11 25 Lu 0.37250024966689 0.91912278749178 0.15426607035552 174.967 > 1 26 Lu 0.37250024966689 0.91912278749178 0.65426607035552 174.967 > 1 27 Lu 0.12004412884177 0.70583358300022 0.01240059631114 174.967 > 3 28 Lu 0.12004412884177 0.70583358300022 0.51240059631114 174.967 > 3 29 Lu 0.08087721250822 0.45337746217511 0.15426607035552 174.967 > 5 30 Lu 0.08087721250822 0.45337746217511 0.65426607035552 174.967 > 5 31 Lu 0.58578945415845 0.87995587115823 0.01240059631114 174.967 > 7 32 Lu 0.58578945415845 0.87995587115823 0.51240059631114 174.967 > 7 33 Lu 0.54662253782489 0.62749975033311 0.15426607035552 174.967 > 9 34 Lu 0.54662253782489 0.62749975033311 0.65426607035552 174.967 > 9 35 Lu 0.29416641699978 0.41421054584155 0.01240059631114 174.967 > 11 36 Lu 0.29416641699978 0.41421054584155 0.51240059631114 174.967 > 11 37 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 37 38 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 37 39 Te 0.66666666666667 0.33333333333333 0.16666666666667 127.600 > 37 40 Te 0.66666666666667 0.33333333333333 0.66666666666667 127.600 > 37 41 Te 0.33333333333333 0.66666666666667 0.33333333333333 127.600 > 37 42 Te 0.33333333333333 0.66666666666667 0.83333333333333 127.600 > 37 43 O 0.62753472744783 0.14318108705408 0.22358350654890 15.999 > 43 44 O 0.62753472744783 0.14318108705408 0.72358350654890 15.999 > 43 45 O 0.14318108705408 0.51564635960625 0.27641649345110 15.999 > 45 46 O 0.14318108705408 0.51564635960625 0.77641649345110 15.999 > 45 47 O 0.80868241522108 0.03060797533338 0.30035074887071 15.999 > 47 48 O 0.80868241522108 0.03060797533338 0.80035074887071 15.999 > 47 49 O 0.48435364039375 0.62753472744783 0.27641649345110 15.999 > 49 50 O 0.48435364039375 0.62753472744783 0.77641649345110 15.999 > 49 51 O 0.03060797533338 0.22192556011230 0.19964925112929 15.999 > 51 52 O 0.03060797533338 0.22192556011230 0.69964925112929 15.999 > 51 53 O 0.22192556011230 0.19131758477892 0.30035074887071 15.999 > 53 54 O 0.22192556011230 0.19131758477892 0.80035074887071 15.999 > 53 55 O 0.77807443988770 0.80868241522108 0.19964925112929 15.999 > 55 56 O 0.77807443988770 0.80868241522108 0.69964925112929 15.999 > 55 57 O 0.96939202466662 0.77807443988770 0.30035074887071 15.999 > 57 58 O 0.96939202466662 0.77807443988770 0.80035074887071 15.999 > 57 59 O 0.51564635960625 0.37246527255217 0.22358350654890 15.999 > 59 60 O 0.51564635960625 0.37246527255217 0.72358350654890 15.999 > 59 61 O 0.19131758477892 0.96939202466662 0.19964925112929 15.999 > 61 62 O 0.19131758477892 0.96939202466662 0.69964925112929 15.999 > 61 63 O 0.85681891294592 0.48435364039375 0.22358350654890 15.999 > 63 64 O 0.85681891294592 0.48435364039375 0.72358350654890 15.999 > 63 65 O 0.37246527255217 0.85681891294592 0.27641649345110 15.999 > 65 66 O 0.37246527255217 0.85681891294592 0.77641649345110 15.999 > 65 67 O 0.29420139411449 0.47651442038741 0.39025017321556 15.999 > 43 68 O 0.29420139411449 0.47651442038741 0.89025017321556 15.999 > 43 69 O 0.80984775372075 0.84897969293958 0.44308316011777 15.999 > 45 70 O 0.80984775372075 0.84897969293958 0.94308316011777 15.999 > 45 71 O 0.47534908188775 0.36394130866671 0.46701741553738 15.999 > 47 72 O 0.47534908188775 0.36394130866671 0.96701741553738 15.999 > 47 73 O 0.15102030706041 0.96086806078116 0.44308316011777 15.999 > 49 74 O 0.15102030706041 0.96086806078116 0.94308316011777 15.999 > 49 75 O 0.69727464200005 0.55525889344563 0.36631591779595 15.999 > 51 76 O 0.69727464200005 0.55525889344563 0.86631591779595 15.999 > 51 77 O 0.88859222677896 0.52465091811225 0.46701741553738 15.999 > 53 78 O 0.88859222677896 0.52465091811225 0.96701741553738 15.999 > 53 79 O 0.44474110655437 0.14201574855442 0.36631591779595 15.999 > 55 80 O 0.44474110655437 0.14201574855442 0.86631591779595 15.999 > 55 81 O 0.63605869133329 0.11140777322104 0.46701741553738 15.999 > 57 82 O 0.63605869133329 0.11140777322104 0.96701741553738 15.999 > 57 83 O 0.18231302627292 0.70579860588551 0.39025017321556 15.999 > 59 84 O 0.18231302627292 0.70579860588551 0.89025017321556 15.999 > 59 85 O 0.85798425144558 0.30272535799995 0.36631591779595 15.999 > 61 86 O 0.85798425144558 0.30272535799995 0.86631591779595 15.999 > 61 87 O 0.52348557961259 0.81768697372708 0.39025017321556 15.999 > 63 88 O 0.52348557961259 0.81768697372708 0.89025017321556 15.999 > 63 89 O 0.03913193921884 0.19015224627926 0.44308316011777 15.999 > 65 90 O 0.03913193921884 0.19015224627926 0.94308316011777 15.999 > 65 91 O 0.96086806078116 0.80984775372075 0.05691683988223 15.999 > 43 92 O 0.96086806078116 0.80984775372075 0.55691683988223 15.999 > 43 93 O 0.47651442038741 0.18231302627292 0.10974982678444 15.999 > 45 94 O 0.47651442038741 0.18231302627292 0.60974982678444 15.999 > 45 95 O 0.14201574855442 0.69727464200005 0.13368408220405 15.999 > 47 96 O 0.14201574855442 0.69727464200005 0.63368408220405 15.999 > 47 97 O 0.81768697372708 0.29420139411449 0.10974982678444 15.999 > 49 98 O 0.81768697372708 0.29420139411449 0.60974982678444 15.999 > 49 99 O 0.36394130866671 0.88859222677896 0.03298258446262 15.999 > 51 100 O 0.36394130866671 0.88859222677896 0.53298258446262 15.999 > 51 101 O 0.55525889344563 0.85798425144558 0.13368408220405 15.999 > 53 102 O 0.55525889344563 0.85798425144558 0.63368408220405 15.999 > 53 103 O 0.11140777322104 0.47534908188775 0.03298258446262 15.999 > 55 104 O 0.11140777322104 0.47534908188775 0.53298258446262 15.999 > 55 105 O 0.30272535799995 0.44474110655437 0.13368408220405 15.999 > 57 106 O 0.30272535799995 0.44474110655437 0.63368408220405 15.999 > 57 107 O 0.84897969293958 0.03913193921884 0.05691683988223 15.999 > 59 108 O 0.84897969293958 0.03913193921884 0.55691683988223 15.999 > 59 109 O 0.52465091811225 0.63605869133329 0.03298258446262 15.999 > 61 110 O 0.52465091811225 0.63605869133329 0.53298258446262 15.999 > 61 111 O 0.19015224627926 0.15102030706041 0.05691683988223 15.999 > 63 112 O 0.19015224627926 0.15102030706041 0.55691683988223 15.999 > 63 113 O 0.70579860588551 0.52348557961259 0.10974982678444 15.999 > 65 114 O 0.70579860588551 0.52348557961259 0.60974982678444 15.999 > 65 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1756978 0.0000059 0.0000000 -0.0000059 4.1756978 0.0000000 0.0000000 0.0000000 4.0760212 -------------------------- Born effective charges -------------------------- 1 Lu 3.8946329 0.2463770 -0.2860923 0.1726612 3.4799068 -0.0463293 -0.3858326 0.2084370 3.7470104 2 Lu 3.4021395 0.1116800 0.1029238 0.0379642 3.9724002 0.2709279 0.3734280 0.2299224 3.7470104 3 Lu 3.7650372 -0.2474833 0.1831685 -0.3211991 3.6095025 -0.2245986 0.0124046 -0.4383593 3.7470104 4 Lu 3.7650372 -0.2474833 0.1831685 -0.3211991 3.6095025 -0.2245986 0.0124046 -0.4383593 3.7470104 5 Lu 3.4021395 0.1116800 0.1029238 0.0379642 3.9724002 0.2709279 0.3734280 0.2299224 3.7470104 6 Lu 3.8946329 0.2463770 -0.2860923 0.1726612 3.4799068 -0.0463293 -0.3858326 0.2084370 3.7470104 7 Te 5.4348312 -0.0581459 -0.0000000 0.0581459 5.4348312 -0.0000000 -0.0000000 0.0000000 4.5063744 8 O -1.9080279 0.3015783 -0.1459454 0.3403732 -2.2001767 0.3410222 -0.1996513 0.4288544 -2.2299634 9 O -1.8491663 -0.3063895 -0.2223612 -0.2675946 -2.2590382 -0.2969035 -0.2715732 -0.3873303 -2.2299634 10 O -2.2825750 0.0226940 0.1733732 0.0382330 -2.7953706 -0.0194628 0.0643901 0.0567335 -2.2681094 11 O -2.4051127 -0.0533812 0.3683066 -0.0145862 -1.7030919 -0.0441187 0.4712245 -0.0415242 -2.2299634 12 O -2.6407895 -0.2450482 -0.0698313 -0.2295093 -2.4371560 0.1598770 -0.0813278 0.0273967 -2.2681094 13 O -2.6935538 0.1990458 -0.1035419 0.2145847 -2.3843917 -0.1404142 0.0169376 -0.0841303 -2.2681094 14 O -2.6935538 0.1990458 -0.1035419 0.2145847 -2.3843917 -0.1404142 0.0169376 -0.0841303 -2.2681094 15 O -2.6407895 -0.2450482 -0.0698313 -0.2295093 -2.4371560 0.1598770 -0.0813278 0.0273967 -2.2681094 16 O -2.4051127 -0.0533812 0.3683066 -0.0145862 -1.7030919 -0.0441187 0.4712245 -0.0415242 -2.2299634 17 O -2.2825750 0.0226940 0.1733732 0.0382330 -2.7953706 -0.0194628 0.0643901 0.0567335 -2.2681094 18 O -1.8491663 -0.3063895 -0.2223612 -0.2675946 -2.2590382 -0.2969035 -0.2715732 -0.3873303 -2.2299634 19 O -1.9080279 0.3015783 -0.1459454 0.3403732 -2.2001767 0.3410222 -0.1996513 0.4288544 -2.2299634 ---------------------------------------------------------------------------- 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[ 37, 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] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 47, 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) 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 23:49:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:49:05]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: 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 4.757376390387853 2.746672539626791 3.011954273333330 b -4.757376390387843 2.746672539626791 3.011954273333330 c 0.000000000000005 -5.493345079253590 3.011954273333330 Atomic positions (fractional): 1 Lu 0.68103239037793 0.85515467853594 0.38940935321927 174.967 2 Lu 0.14484532146406 0.61059064678073 0.31896760962207 174.967 3 Lu 0.38940935321927 0.68103239037793 0.85515467853594 174.967 4 Lu 0.61059064678073 0.31896760962207 0.14484532146406 174.967 5 Lu 0.85515467853594 0.38940935321927 0.68103239037793 174.967 6 Lu 0.31896760962207 0.14484532146406 0.61059064678073 174.967 7 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 8 O 0.07470174054562 0.96281337270405 0.30398592604372 15.999 9 O 0.69601407395628 0.92529825945438 0.03718662729595 15.999 10 O 0.40938391296251 0.82262705785372 0.57009352240804 15.999 11 O 0.03718662729595 0.69601407395628 0.92529825945438 15.999 12 O 0.42990647759196 0.59061608703749 0.17737294214628 15.999 13 O 0.82262705785372 0.57009352240804 0.40938391296251 15.999 14 O 0.17737294214628 0.42990647759196 0.59061608703749 15.999 15 O 0.57009352240804 0.40938391296251 0.82262705785372 15.999 16 O 0.96281337270405 0.30398592604372 0.07470174054562 15.999 17 O 0.59061608703749 0.17737294214628 0.42990647759196 15.999 18 O 0.30398592604372 0.07470174054562 0.96281337270405 15.999 19 O 0.92529825945438 0.03718662729595 0.69601407395628 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.514752780775696 0.000000000000000 0.000000000000000 b -4.757376390387848 8.240017618880382 0.000000000000000 c 0.000000000000000 0.000000000000000 18.071725640000000 Atomic positions (fractional): 1 Lu 0.03916691633355 0.25245612082511 0.32093273702219 174.967 > 1 2 Lu 0.03916691633355 0.25245612082511 0.82093273702219 174.967 > 1 3 Lu 0.78671079550844 0.03916691633355 0.17906726297781 174.967 > 3 4 Lu 0.78671079550844 0.03916691633355 0.67906726297781 174.967 > 3 5 Lu 0.74754387917489 0.78671079550844 0.32093273702219 174.967 > 5 6 Lu 0.74754387917489 0.78671079550844 0.82093273702219 174.967 > 5 7 Lu 0.25245612082511 0.21328920449156 0.17906726297781 174.967 > 7 8 Lu 0.25245612082511 0.21328920449156 0.67906726297781 174.967 > 7 9 Lu 0.21328920449156 0.96083308366645 0.32093273702219 174.967 > 9 10 Lu 0.21328920449156 0.96083308366645 0.82093273702219 174.967 > 9 11 Lu 0.96083308366645 0.74754387917489 0.17906726297781 174.967 > 11 12 Lu 0.96083308366645 0.74754387917489 0.67906726297781 174.967 > 11 13 Lu 0.70583358300022 0.58578945415845 0.48759940368886 174.967 > 1 14 Lu 0.70583358300022 0.58578945415845 0.98759940368886 174.967 > 1 15 Lu 0.45337746217511 0.37250024966689 0.34573392964448 174.967 > 3 16 Lu 0.45337746217511 0.37250024966689 0.84573392964448 174.967 > 3 17 Lu 0.41421054584155 0.12004412884177 0.48759940368886 174.967 > 5 18 Lu 0.41421054584155 0.12004412884177 0.98759940368886 174.967 > 5 19 Lu 0.91912278749178 0.54662253782489 0.34573392964448 174.967 > 7 20 Lu 0.91912278749178 0.54662253782489 0.84573392964448 174.967 > 7 21 Lu 0.87995587115823 0.29416641699978 0.48759940368886 174.967 > 9 22 Lu 0.87995587115823 0.29416641699978 0.98759940368886 174.967 > 9 23 Lu 0.62749975033311 0.08087721250822 0.34573392964448 174.967 > 11 24 Lu 0.62749975033311 0.08087721250822 0.84573392964448 174.967 > 11 25 Lu 0.37250024966689 0.91912278749178 0.15426607035552 174.967 > 1 26 Lu 0.37250024966689 0.91912278749178 0.65426607035552 174.967 > 1 27 Lu 0.12004412884177 0.70583358300022 0.01240059631114 174.967 > 3 28 Lu 0.12004412884177 0.70583358300022 0.51240059631114 174.967 > 3 29 Lu 0.08087721250822 0.45337746217511 0.15426607035552 174.967 > 5 30 Lu 0.08087721250822 0.45337746217511 0.65426607035552 174.967 > 5 31 Lu 0.58578945415845 0.87995587115823 0.01240059631114 174.967 > 7 32 Lu 0.58578945415845 0.87995587115823 0.51240059631114 174.967 > 7 33 Lu 0.54662253782489 0.62749975033311 0.15426607035552 174.967 > 9 34 Lu 0.54662253782489 0.62749975033311 0.65426607035552 174.967 > 9 35 Lu 0.29416641699978 0.41421054584155 0.01240059631114 174.967 > 11 36 Lu 0.29416641699978 0.41421054584155 0.51240059631114 174.967 > 11 37 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 37 38 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 37 39 Te 0.66666666666667 0.33333333333333 0.16666666666667 127.600 > 37 40 Te 0.66666666666667 0.33333333333333 0.66666666666667 127.600 > 37 41 Te 0.33333333333333 0.66666666666667 0.33333333333333 127.600 > 37 42 Te 0.33333333333333 0.66666666666667 0.83333333333333 127.600 > 37 43 O 0.62753472744783 0.14318108705408 0.22358350654890 15.999 > 43 44 O 0.62753472744783 0.14318108705408 0.72358350654890 15.999 > 43 45 O 0.14318108705408 0.51564635960625 0.27641649345110 15.999 > 45 46 O 0.14318108705408 0.51564635960625 0.77641649345110 15.999 > 45 47 O 0.80868241522108 0.03060797533338 0.30035074887071 15.999 > 47 48 O 0.80868241522108 0.03060797533338 0.80035074887071 15.999 > 47 49 O 0.48435364039375 0.62753472744783 0.27641649345110 15.999 > 49 50 O 0.48435364039375 0.62753472744783 0.77641649345110 15.999 > 49 51 O 0.03060797533338 0.22192556011230 0.19964925112929 15.999 > 51 52 O 0.03060797533338 0.22192556011230 0.69964925112929 15.999 > 51 53 O 0.22192556011230 0.19131758477892 0.30035074887071 15.999 > 53 54 O 0.22192556011230 0.19131758477892 0.80035074887071 15.999 > 53 55 O 0.77807443988770 0.80868241522108 0.19964925112929 15.999 > 55 56 O 0.77807443988770 0.80868241522108 0.69964925112929 15.999 > 55 57 O 0.96939202466662 0.77807443988770 0.30035074887071 15.999 > 57 58 O 0.96939202466662 0.77807443988770 0.80035074887071 15.999 > 57 59 O 0.51564635960625 0.37246527255217 0.22358350654890 15.999 > 59 60 O 0.51564635960625 0.37246527255217 0.72358350654890 15.999 > 59 61 O 0.19131758477892 0.96939202466662 0.19964925112929 15.999 > 61 62 O 0.19131758477892 0.96939202466662 0.69964925112929 15.999 > 61 63 O 0.85681891294592 0.48435364039375 0.22358350654890 15.999 > 63 64 O 0.85681891294592 0.48435364039375 0.72358350654890 15.999 > 63 65 O 0.37246527255217 0.85681891294592 0.27641649345110 15.999 > 65 66 O 0.37246527255217 0.85681891294592 0.77641649345110 15.999 > 65 67 O 0.29420139411449 0.47651442038741 0.39025017321556 15.999 > 43 68 O 0.29420139411449 0.47651442038741 0.89025017321556 15.999 > 43 69 O 0.80984775372075 0.84897969293958 0.44308316011777 15.999 > 45 70 O 0.80984775372075 0.84897969293958 0.94308316011777 15.999 > 45 71 O 0.47534908188775 0.36394130866671 0.46701741553738 15.999 > 47 72 O 0.47534908188775 0.36394130866671 0.96701741553738 15.999 > 47 73 O 0.15102030706041 0.96086806078116 0.44308316011777 15.999 > 49 74 O 0.15102030706041 0.96086806078116 0.94308316011777 15.999 > 49 75 O 0.69727464200005 0.55525889344563 0.36631591779595 15.999 > 51 76 O 0.69727464200005 0.55525889344563 0.86631591779595 15.999 > 51 77 O 0.88859222677896 0.52465091811225 0.46701741553738 15.999 > 53 78 O 0.88859222677896 0.52465091811225 0.96701741553738 15.999 > 53 79 O 0.44474110655437 0.14201574855442 0.36631591779595 15.999 > 55 80 O 0.44474110655437 0.14201574855442 0.86631591779595 15.999 > 55 81 O 0.63605869133329 0.11140777322104 0.46701741553738 15.999 > 57 82 O 0.63605869133329 0.11140777322104 0.96701741553738 15.999 > 57 83 O 0.18231302627292 0.70579860588551 0.39025017321556 15.999 > 59 84 O 0.18231302627292 0.70579860588551 0.89025017321556 15.999 > 59 85 O 0.85798425144558 0.30272535799995 0.36631591779595 15.999 > 61 86 O 0.85798425144558 0.30272535799995 0.86631591779595 15.999 > 61 87 O 0.52348557961259 0.81768697372708 0.39025017321556 15.999 > 63 88 O 0.52348557961259 0.81768697372708 0.89025017321556 15.999 > 63 89 O 0.03913193921884 0.19015224627926 0.44308316011777 15.999 > 65 90 O 0.03913193921884 0.19015224627926 0.94308316011777 15.999 > 65 91 O 0.96086806078116 0.80984775372075 0.05691683988223 15.999 > 43 92 O 0.96086806078116 0.80984775372075 0.55691683988223 15.999 > 43 93 O 0.47651442038741 0.18231302627292 0.10974982678444 15.999 > 45 94 O 0.47651442038741 0.18231302627292 0.60974982678444 15.999 > 45 95 O 0.14201574855442 0.69727464200005 0.13368408220405 15.999 > 47 96 O 0.14201574855442 0.69727464200005 0.63368408220405 15.999 > 47 97 O 0.81768697372708 0.29420139411449 0.10974982678444 15.999 > 49 98 O 0.81768697372708 0.29420139411449 0.60974982678444 15.999 > 49 99 O 0.36394130866671 0.88859222677896 0.03298258446262 15.999 > 51 100 O 0.36394130866671 0.88859222677896 0.53298258446262 15.999 > 51 101 O 0.55525889344563 0.85798425144558 0.13368408220405 15.999 > 53 102 O 0.55525889344563 0.85798425144558 0.63368408220405 15.999 > 53 103 O 0.11140777322104 0.47534908188775 0.03298258446262 15.999 > 55 104 O 0.11140777322104 0.47534908188775 0.53298258446262 15.999 > 55 105 O 0.30272535799995 0.44474110655437 0.13368408220405 15.999 > 57 106 O 0.30272535799995 0.44474110655437 0.63368408220405 15.999 > 57 107 O 0.84897969293958 0.03913193921884 0.05691683988223 15.999 > 59 108 O 0.84897969293958 0.03913193921884 0.55691683988223 15.999 > 59 109 O 0.52465091811225 0.63605869133329 0.03298258446262 15.999 > 61 110 O 0.52465091811225 0.63605869133329 0.53298258446262 15.999 > 61 111 O 0.19015224627926 0.15102030706041 0.05691683988223 15.999 > 63 112 O 0.19015224627926 0.15102030706041 0.55691683988223 15.999 > 63 113 O 0.70579860588551 0.52348557961259 0.10974982678444 15.999 > 65 114 O 0.70579860588551 0.52348557961259 0.60974982678444 15.999 > 65 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.1756978 0.0000059 0.0000000 -0.0000059 4.1756978 0.0000000 0.0000000 0.0000000 4.0760212 -------------------------- Born effective charges -------------------------- 1 Lu 3.8946329 0.2463770 -0.2860923 0.1726612 3.4799068 -0.0463293 -0.3858326 0.2084370 3.7470104 2 Lu 3.4021395 0.1116800 0.1029238 0.0379642 3.9724002 0.2709279 0.3734280 0.2299224 3.7470104 3 Lu 3.7650372 -0.2474833 0.1831685 -0.3211991 3.6095025 -0.2245986 0.0124046 -0.4383593 3.7470104 4 Lu 3.7650372 -0.2474833 0.1831685 -0.3211991 3.6095025 -0.2245986 0.0124046 -0.4383593 3.7470104 5 Lu 3.4021395 0.1116800 0.1029238 0.0379642 3.9724002 0.2709279 0.3734280 0.2299224 3.7470104 6 Lu 3.8946329 0.2463770 -0.2860923 0.1726612 3.4799068 -0.0463293 -0.3858326 0.2084370 3.7470104 7 Te 5.4348312 -0.0581459 -0.0000000 0.0581459 5.4348312 -0.0000000 -0.0000000 0.0000000 4.5063744 8 O -1.9080279 0.3015783 -0.1459454 0.3403732 -2.2001767 0.3410222 -0.1996513 0.4288544 -2.2299634 9 O -1.8491663 -0.3063895 -0.2223612 -0.2675946 -2.2590382 -0.2969035 -0.2715732 -0.3873303 -2.2299634 10 O -2.2825750 0.0226940 0.1733732 0.0382330 -2.7953706 -0.0194628 0.0643901 0.0567335 -2.2681094 11 O -2.4051127 -0.0533812 0.3683066 -0.0145862 -1.7030919 -0.0441187 0.4712245 -0.0415242 -2.2299634 12 O -2.6407895 -0.2450482 -0.0698313 -0.2295093 -2.4371560 0.1598770 -0.0813278 0.0273967 -2.2681094 13 O -2.6935538 0.1990458 -0.1035419 0.2145847 -2.3843917 -0.1404142 0.0169376 -0.0841303 -2.2681094 14 O -2.6935538 0.1990458 -0.1035419 0.2145847 -2.3843917 -0.1404142 0.0169376 -0.0841303 -2.2681094 15 O -2.6407895 -0.2450482 -0.0698313 -0.2295093 -2.4371560 0.1598770 -0.0813278 0.0273967 -2.2681094 16 O -2.4051127 -0.0533812 0.3683066 -0.0145862 -1.7030919 -0.0441187 0.4712245 -0.0415242 -2.2299634 17 O -2.2825750 0.0226940 0.1733732 0.0382330 -2.7953706 -0.0194628 0.0643901 0.0567335 -2.2681094 18 O -1.8491663 -0.3063895 -0.2223612 -0.2675946 -2.2590382 -0.2969035 -0.2715732 -0.3873303 -2.2299634 19 O -1.9080279 0.3015783 -0.1459454 0.3403732 -2.2001767 0.3410222 -0.1996513 0.4288544 -2.2299634 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- 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: 0.67, Number of G-points: 299, Lambda: 0.14 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: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.676 ( 0.000 0.000 0.000) 0.000 2.676 ( 0.000 0.000 0.000) 0.000 3.033 ( 0.000 0.000 0.000) 0.000 3.393 ( 0.000 0.000 0.000) 0.000 3.532 ( 0.000 0.000 0.000) 0.000 3.532 ( 0.000 0.000 0.000) 0.000 3.815 ( 0.000 0.000 0.000) 0.000 3.815 ( 0.000 0.000 0.000) 0.000 3.826 ( 0.000 0.000 0.000) 0.000 4.811 ( 0.000 0.000 0.000) 0.000 4.818 ( 0.000 0.000 0.000) 0.000 4.818 ( 0.000 0.000 0.000) 0.000 5.222 ( 0.000 0.000 0.000) 0.000 5.222 ( 0.000 0.000 0.000) 0.000 5.271 ( 0.000 0.000 0.000) 0.000 5.734 ( 0.000 0.000 0.000) 0.000 5.845 ( 0.000 0.000 0.000) 0.000 5.845 ( 0.000 0.000 0.000) 0.000 7.176 ( 0.000 0.000 0.000) 0.000 7.456 ( 0.000 0.000 0.000) 0.000 7.456 ( 0.000 0.000 0.000) 0.000 8.547 ( 0.000 0.000 0.000) 0.000 8.547 ( 0.000 0.000 0.000) 0.000 8.636 ( 0.000 0.000 0.000) 0.000 10.733 ( 0.000 0.000 0.000) 0.000 10.810 ( 0.000 0.000 0.000) 0.000 10.810 ( 0.000 0.000 0.000) 0.000 10.959 ( 0.000 0.000 0.000) 0.000 10.959 ( 0.000 0.000 0.000) 0.000 11.057 ( 0.000 0.000 0.000) 0.000 11.896 ( 0.000 0.000 0.000) 0.000 11.896 ( 0.000 0.000 0.000) 0.000 12.076 ( 0.000 0.000 0.000) 0.000 12.076 ( 0.000 0.000 0.000) 0.000 12.645 ( 0.000 0.000 0.000) 0.000 12.784 ( 0.000 0.000 0.000) 0.000 12.990 ( 0.000 0.000 0.000) 0.000 12.990 ( 0.000 0.000 0.000) 0.000 13.337 ( 0.000 0.000 0.000) 0.000 13.410 ( 0.000 0.000 0.000) 0.000 13.410 ( 0.000 0.000 0.000) 0.000 14.719 ( 0.000 0.000 0.000) 0.000 16.477 ( 0.000 0.000 0.000) 0.000 16.676 ( 0.000 0.000 0.000) 0.000 17.541 ( 0.000 0.000 0.000) 0.000 17.541 ( 0.000 0.000 0.000) 0.000 18.115 ( 0.000 0.000 0.000) 0.000 18.115 ( 0.000 0.000 0.000) 0.000 18.581 ( 0.000 0.000 0.000) 0.000 19.167 ( 0.000 0.000 0.000) 0.000 19.167 ( 0.000 0.000 0.000) 0.000 20.055 ( 0.000 0.000 0.000) 0.000 20.055 ( 0.000 0.000 0.000) 0.000 21.183 ( 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: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( 12.021 12.414 24.011) 29.583 0.632 ( 19.736 12.512 19.014) 30.126 1.039 ( 28.781 13.082 38.344) 49.696 2.669 ( 0.554 -1.519 -0.510) 1.696 2.709 ( 0.825 1.879 1.922) 2.812 3.029 ( 0.334 -0.379 -2.270) 2.326 3.363 ( -4.610 -3.794 1.098) 6.070 3.428 ( -7.458 0.957 -8.246) 11.159 3.487 ( 2.647 -1.416 -7.576) 8.149 3.745 ( -1.363 -0.414 -8.039) 8.165 3.798 ( -0.833 -6.602 -0.103) 6.655 3.942 ( 3.742 6.436 6.493) 9.878 4.645 ( -9.637 -5.078 -5.617) 12.256 4.820 ( -1.460 4.336 -2.085) 5.027 5.033 ( 10.286 -0.193 -11.330) 15.304 5.210 ( -1.383 2.822 -1.806) 3.625 5.284 ( 5.530 1.539 -1.419) 5.913 5.482 ( -1.917 1.151 5.764) 6.182 5.816 ( -7.322 -2.026 -0.090) 7.598 5.889 ( 3.787 -1.515 2.715) 4.900 5.969 ( 8.357 3.904 3.399) 9.830 7.093 ( -6.898 -3.538 -3.432) 8.478 7.413 ( -1.988 -0.855 -1.976) 2.931 7.445 ( 0.417 -0.469 -1.587) 1.707 8.544 ( 2.526 -3.001 -1.663) 4.261 8.647 ( 4.449 6.820 3.391) 8.821 8.971 ( -13.589 -9.119 22.289) 27.652 10.734 ( -11.731 1.846 2.707) 12.180 10.796 ( -3.350 -4.846 2.804) 6.525 10.842 ( 5.848 -3.426 -4.299) 8.026 10.959 ( -3.615 5.647 0.740) 6.746 11.072 ( -1.317 -1.313 3.538) 3.998 11.641 ( -1.876 -19.469 -0.982) 19.584 11.757 ( -12.571 10.144 -0.700) 16.169 12.021 ( -7.683 1.912 -0.832) 7.961 12.206 ( 6.457 -4.864 4.220) 9.119 12.595 ( -4.581 0.374 -6.628) 8.066 12.711 ( -5.687 -0.327 0.368) 5.708 12.836 ( 3.727 3.280 -1.946) 5.332 12.982 ( -3.430 -1.163 3.328) 4.919 13.216 ( 1.232 -21.844 18.718) 28.793 13.439 ( 0.304 3.891 4.476) 5.939 13.558 ( 15.318 23.031 -0.110) 27.660 14.694 ( -1.809 -0.920 -1.085) 2.301 15.921 ( 34.065 14.733 -39.615) 54.285 16.522 ( -16.770 -10.405 2.469) 19.890 16.889 ( -3.794 -1.364 4.765) 6.242 17.371 ( -10.385 0.961 -11.365) 15.425 17.676 ( 17.992 4.234 -2.964) 18.720 18.148 ( -2.993 -3.173 9.310) 10.281 18.245 ( 3.008 0.885 10.788) 11.234 18.792 ( -12.254 -5.120 11.031) 17.264 19.160 ( -1.148 5.272 -2.916) 6.133 20.001 ( -4.242 -5.452 -0.305) 6.914 20.065 ( -0.994 -0.478 2.574) 2.801 20.649 ( 18.954 8.560 -18.461) 27.809 21.176 ( -0.413 -0.218 -0.410) 0.622 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 12.876 10.756 22.974) 28.448 1.222 ( 17.407 11.839 17.388) 27.304 1.960 ( 19.917 9.760 31.876) 38.833 2.671 ( 2.955 -1.626 0.946) 3.503 2.722 ( -2.483 1.156 -1.898) 3.333 3.026 ( 4.068 -1.137 -1.904) 4.633 3.193 ( -7.228 0.460 -9.557) 11.991 3.280 ( -2.270 -1.955 -1.178) 3.219 3.373 ( -2.803 -2.179 -9.482) 10.125 3.629 ( 0.955 -5.178 -4.792) 7.119 3.698 ( -2.488 -2.632 -2.088) 4.181 4.138 ( 2.803 5.440 8.259) 10.280 4.398 ( -9.564 -5.278 -5.458) 12.211 4.757 ( -5.444 4.415 -7.052) 9.943 4.977 ( 1.487 -2.922 -6.638) 7.403 5.195 ( -4.987 4.646 3.236) 7.545 5.320 ( 7.063 -5.048 -1.933) 8.894 5.557 ( -2.270 0.379 2.202) 3.185 5.730 ( -0.558 2.978 0.099) 3.031 5.965 ( 2.444 -1.713 2.920) 4.175 6.171 ( 9.259 4.362 2.712) 10.589 6.874 ( -10.460 -4.465 -5.438) 12.606 7.367 ( -1.046 -1.494 -0.463) 1.881 7.422 ( 0.847 -0.593 -2.139) 2.376 8.511 ( 1.418 -3.283 -3.232) 4.820 8.772 ( 2.322 2.102 1.771) 3.598 9.109 ( 0.947 2.375 12.983) 13.232 10.620 ( -6.577 -0.746 -2.631) 7.123 10.708 ( -6.747 -6.235 0.789) 9.221 10.830 ( 2.376 -0.580 -2.346) 3.389 10.992 ( -3.030 6.476 3.738) 8.068 11.076 ( -2.638 2.533 -0.405) 3.679 11.463 ( 2.450 -16.562 -2.108) 16.874 11.686 ( -9.781 9.696 -1.052) 13.813 11.911 ( -7.845 1.600 -1.631) 8.170 12.216 ( 1.828 -11.286 0.094) 11.433 12.459 ( -3.447 1.758 -4.179) 5.695 12.688 ( 1.053 -2.933 -0.390) 3.141 12.905 ( 6.239 6.025 -3.753) 9.451 12.984 ( -5.832 2.600 4.770) 7.970 13.268 ( 1.516 -14.450 7.258) 16.241 13.582 ( 0.192 6.771 9.250) 11.465 13.989 ( 18.790 17.589 4.651) 26.155 14.639 ( -2.566 -0.835 -1.334) 3.010 15.929 ( 19.306 0.621 -19.217) 27.247 16.221 ( -18.156 -11.971 1.816) 21.822 16.883 ( -4.356 0.256 1.336) 4.564 17.076 ( -10.761 2.312 -9.811) 14.745 17.920 ( 21.076 3.098 -4.583) 21.790 18.240 ( -4.198 -5.595 15.212) 16.743 18.413 ( -4.254 1.762 10.802) 11.743 18.756 ( 2.689 -0.397 -2.160) 3.472 19.136 ( -2.583 11.877 -6.308) 13.694 19.869 ( -5.922 -9.534 -0.159) 11.224 20.085 ( -1.517 -0.786 3.070) 3.513 20.718 ( 11.526 3.425 -7.608) 14.229 21.160 ( -0.680 -0.280 -0.514) 0.897 ======================= Grid point 3 (4/90) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 14.102 5.430 20.468) 25.442 1.746 ( 13.219 13.273 15.739) 24.467 2.356 ( -2.119 0.714 1.111) 2.497 2.575 ( -6.593 -5.461 -7.891) 11.643 2.792 ( -1.335 1.000 4.021) 4.354 2.971 ( 0.143 -5.338 -6.475) 8.393 3.150 ( 0.011 0.714 7.886) 7.918 3.204 ( 4.972 1.711 -5.327) 7.486 3.275 ( 3.272 3.398 -2.441) 5.311 3.560 ( 2.285 -3.485 3.089) 5.187 3.720 ( 3.474 2.647 2.374) 4.971 4.159 ( -7.264 -5.715 -5.258) 10.633 4.318 ( 1.004 2.286 7.441) 7.849 4.502 ( -10.987 -1.490 -15.111) 18.742 4.882 ( -1.204 2.325 -5.462) 6.057 5.249 ( -2.303 1.681 6.713) 7.293 5.353 ( 6.806 -5.606 -0.802) 8.854 5.492 ( -3.505 2.535 -3.896) 5.821 5.827 ( 2.280 3.943 3.670) 5.850 5.983 ( -0.851 -2.450 0.353) 2.618 6.327 ( 6.542 1.570 1.231) 6.839 6.654 ( -7.680 -2.292 -3.767) 8.856 7.344 ( -0.657 -1.514 0.169) 1.659 7.407 ( 0.937 -0.447 -1.027) 1.460 8.458 ( 0.176 -1.808 -2.526) 3.112 8.805 ( 1.336 -0.885 -0.205) 1.615 9.330 ( 3.713 5.518 7.778) 10.234 10.467 ( -4.821 -4.758 -4.510) 8.138 10.603 ( -5.388 -1.971 1.273) 5.876 10.837 ( 1.366 0.204 -0.463) 1.457 10.979 ( -3.988 -1.316 -0.871) 4.289 11.128 ( 0.098 10.353 2.966) 10.770 11.404 ( 4.761 -11.368 0.451) 12.333 11.623 ( -7.230 9.670 -1.239) 12.138 11.784 ( -5.022 -5.845 -2.468) 8.092 12.183 ( 0.965 -3.392 2.551) 4.353 12.374 ( -0.426 -0.761 -6.151) 6.213 12.677 ( 0.498 -2.836 0.764) 2.979 12.971 ( -0.460 5.868 0.178) 5.888 12.996 ( 1.354 3.093 -1.107) 3.553 13.253 ( -0.990 -9.273 3.673) 10.023 13.758 ( 1.346 4.025 7.049) 8.228 14.396 ( 14.259 13.202 3.978) 19.835 14.590 ( -1.738 -0.158 -0.771) 1.908 15.812 ( -5.206 -13.268 -4.570) 14.967 16.043 ( 3.704 -0.573 -4.943) 6.203 16.743 ( -11.344 2.172 -3.868) 12.180 16.961 ( -0.502 0.915 -0.953) 1.414 18.126 ( 15.723 -0.815 -2.030) 15.874 18.351 ( 0.250 -5.060 8.959) 10.292 18.424 ( -12.559 5.906 4.329) 14.538 18.833 ( 10.192 -7.214 3.790) 13.049 19.095 ( -4.628 17.999 -9.426) 20.838 19.720 ( -4.670 -9.651 0.308) 10.726 20.095 ( -1.164 -0.664 1.790) 2.236 20.780 ( 6.169 1.313 -3.119) 7.037 21.144 ( -0.584 -0.173 -0.301) 0.679 ======================= Grid point 4 (5/90) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( -0.000 -0.000 -0.000) 0.000 2.158 ( 0.000 0.000 -0.000) 0.000 2.176 ( 0.000 -0.000 -0.000) 0.000 2.288 ( 0.000 0.000 0.000) 0.000 2.796 ( 0.000 -0.000 -0.000) 0.000 2.876 ( 0.000 0.000 0.000) 0.000 3.113 ( 0.000 0.000 0.000) 0.000 3.261 ( 0.000 0.000 -0.000) 0.000 3.361 ( 0.000 -0.000 0.000) 0.000 3.727 ( 0.000 0.000 -0.000) 0.000 3.828 ( 0.000 0.000 0.000) 0.000 4.035 ( 0.000 0.000 0.000) 0.000 4.164 ( 0.000 0.000 0.000) 0.000 4.402 ( 0.000 0.000 0.000) 0.000 4.842 ( 0.000 0.000 0.000) 0.000 5.300 ( 0.000 0.000 0.000) 0.000 5.378 ( 0.000 -0.000 0.000) 0.000 5.439 ( 0.000 0.000 -0.000) 0.000 5.893 ( 0.000 0.000 0.000) 0.000 5.953 ( 0.000 -0.000 -0.000) 0.000 6.390 ( 0.000 0.000 0.000) 0.000 6.564 ( 0.000 0.000 0.000) 0.000 7.334 ( 0.000 0.000 0.000) 0.000 7.406 ( 0.000 0.000 0.000) 0.000 8.433 ( 0.000 0.000 0.000) 0.000 8.806 ( 0.000 0.000 0.000) 0.000 9.443 ( 0.000 0.000 0.000) 0.000 10.370 ( 0.000 0.000 0.000) 0.000 10.570 ( 0.000 0.000 0.000) 0.000 10.846 ( 0.000 0.000 0.000) 0.000 10.933 ( 0.000 0.000 0.000) 0.000 11.211 ( 0.000 0.000 0.000) 0.000 11.393 ( -0.000 0.000 0.000) 0.000 11.634 ( 0.000 -0.000 0.000) 0.000 11.665 ( 0.000 0.000 0.000) 0.000 12.236 ( 0.000 0.000 0.000) 0.000 12.287 ( 0.000 -0.000 0.000) 0.000 12.676 ( 0.000 0.000 0.000) 0.000 12.982 ( 0.000 0.000 0.000) 0.000 13.025 ( 0.000 0.000 -0.000) 0.000 13.229 ( 0.000 -0.000 0.000) 0.000 13.837 ( 0.000 0.000 0.000) 0.000 14.573 ( 0.000 0.000 0.000) 0.000 14.591 ( 0.000 0.000 0.000) 0.000 15.660 ( 0.000 0.000 0.000) 0.000 16.046 ( 0.000 0.000 0.000) 0.000 16.637 ( 0.000 0.000 0.000) 0.000 16.959 ( 0.000 0.000 0.000) 0.000 18.241 ( 0.000 -0.000 0.000) 0.000 18.345 ( 0.000 0.000 -0.000) 0.000 18.413 ( -0.000 0.000 0.000) 0.000 18.934 ( 0.000 0.000 0.000) 0.000 19.044 ( 0.000 -0.000 0.000) 0.000 19.647 ( 0.000 0.000 0.000) 0.000 20.097 ( 0.000 0.000 0.000) 0.000 20.805 ( 0.000 0.000 0.000) 0.000 21.137 ( 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: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 3.380 4.297 27.094) 27.640 0.993 ( -0.601 13.487 27.062) 30.243 1.682 ( -1.030 22.594 45.256) 50.593 2.652 ( -0.781 -3.128 -0.456) 3.256 2.759 ( 0.516 3.743 3.562) 5.193 2.966 ( -0.847 -0.465 -5.795) 5.875 3.255 ( 0.438 -4.498 -9.738) 10.735 3.342 ( 1.046 1.944 -11.147) 11.363 3.419 ( -0.230 -2.204 -5.170) 5.624 3.639 ( -0.755 -8.760 -1.013) 8.851 3.883 ( -9.823 -0.033 2.670) 10.180 3.962 ( 9.374 5.428 2.440) 11.104 4.537 ( -0.410 -10.682 -7.259) 12.921 4.816 ( 7.376 2.584 -2.344) 8.159 4.920 ( -5.492 10.868 -7.736) 14.426 5.169 ( 1.873 -5.091 -0.669) 5.465 5.267 ( -3.110 3.326 0.943) 4.650 5.637 ( 2.765 -3.577 9.848) 10.836 5.747 ( 1.969 -6.184 -4.950) 8.162 5.894 ( -4.616 0.500 1.765) 4.967 6.044 ( 0.676 11.305 3.689) 11.911 7.036 ( 0.595 -7.133 -5.762) 9.189 7.362 ( -0.272 -1.953 -4.043) 4.498 7.410 ( -0.514 0.217 -2.391) 2.455 8.538 ( -2.491 -2.854 1.418) 4.045 8.694 ( 2.178 6.498 3.024) 7.491 9.186 ( -0.773 -10.425 11.065) 15.222 10.657 ( 1.250 -3.206 -4.946) 6.026 10.789 ( -0.247 -3.113 -3.089) 4.393 10.832 ( -1.378 -5.584 2.811) 6.401 10.997 ( 5.447 -2.724 -0.290) 6.097 11.117 ( -0.478 4.341 0.071) 4.368 11.514 ( -6.708 -16.385 -2.863) 17.935 11.849 ( 6.085 6.781 -3.649) 9.814 12.029 ( 7.530 -11.423 1.000) 13.718 12.238 ( -9.996 1.541 2.036) 10.317 12.492 ( 0.515 -0.819 -8.759) 8.812 12.726 ( 0.952 4.398 -5.296) 6.950 12.853 ( 7.090 -7.305 2.169) 10.409 12.892 ( -5.323 -6.696 2.381) 8.880 13.327 ( -9.483 -15.905 15.484) 24.138 13.553 ( 2.111 23.437 0.029) 23.532 13.751 ( 7.606 9.821 13.982) 18.703 14.665 ( 0.215 -1.891 -2.788) 3.376 15.540 ( -4.147 35.113 -20.020) 40.632 16.548 ( -1.774 -23.533 3.045) 23.795 16.925 ( 0.414 -7.684 4.736) 9.035 17.331 ( 17.946 1.527 -9.421) 20.326 17.497 ( -16.717 11.596 -7.376) 21.641 18.257 ( 0.753 -6.734 12.007) 13.787 18.445 ( -1.787 7.289 12.772) 14.814 18.917 ( -8.955 -6.111 -7.046) 12.929 18.983 ( 14.546 -4.574 -3.707) 15.692 20.043 ( -5.063 -3.262 0.048) 6.023 20.235 ( 7.160 4.451 7.477) 11.269 20.362 ( -5.775 14.066 -10.887) 18.701 21.170 ( 0.001 -0.862 -0.434) 0.965 ======================= Grid point 11 (7/90) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 12.207 4.562 23.228) 26.634 1.485 ( 5.219 13.134 23.907) 27.772 2.403 ( -1.096 14.009 27.082) 30.511 2.618 ( 2.962 -4.923 -0.786) 5.799 2.786 ( -4.363 4.396 4.012) 7.380 2.930 ( 3.856 -2.651 -1.267) 4.847 3.099 ( -0.764 2.438 -7.815) 8.222 3.213 ( 0.908 1.056 -11.652) 11.735 3.281 ( -1.389 -2.812 -4.339) 5.354 3.580 ( -2.400 -8.000 2.877) 8.834 3.779 ( -9.048 -0.804 3.514) 9.740 4.174 ( 10.092 3.814 2.661) 11.112 4.326 ( -4.466 -8.955 -6.543) 11.956 4.779 ( -7.071 3.663 -10.223) 12.959 4.874 ( 2.772 2.441 -4.188) 5.584 5.168 ( 3.734 -3.758 -0.090) 5.299 5.265 ( -0.212 0.510 -0.032) 0.553 5.580 ( 0.666 1.607 -8.161) 8.345 5.813 ( -4.431 0.944 7.805) 9.025 5.916 ( 6.635 -4.289 3.237) 8.538 6.195 ( 1.693 8.103 3.531) 9.000 6.851 ( -5.187 -7.182 -7.183) 11.405 7.303 ( 3.075 -3.115 -3.845) 5.826 7.376 ( -0.447 -0.340 -1.576) 1.673 8.520 ( -2.997 -3.351 4.704) 6.507 8.773 ( 0.864 0.257 1.136) 1.450 9.278 ( -0.136 -0.261 9.994) 9.998 10.549 ( -1.053 -4.764 -6.349) 8.007 10.738 ( -1.655 -5.322 -0.008) 5.573 10.805 ( -0.639 -0.357 -0.530) 0.903 11.016 ( 2.115 -2.310 -0.809) 3.235 11.142 ( 0.954 6.619 -2.840) 7.266 11.313 ( -1.824 -15.162 0.500) 15.279 11.848 ( -6.529 11.530 -4.202) 13.901 12.026 ( -1.435 -14.669 -2.131) 14.892 12.107 ( -5.512 1.401 4.347) 7.158 12.368 ( 0.628 0.126 -9.216) 9.238 12.675 ( -0.056 3.039 -5.714) 6.472 12.818 ( 3.011 -1.897 -0.272) 3.569 12.995 ( 6.272 -2.971 1.918) 7.200 13.351 ( -4.643 -13.290 14.885) 20.488 13.747 ( -0.258 19.206 0.490) 19.214 14.102 ( 6.604 12.416 13.491) 19.488 14.608 ( 0.482 -2.106 -3.528) 4.137 15.546 ( 8.060 18.327 -15.786) 25.496 16.298 ( -9.995 -23.279 1.911) 25.405 16.937 ( -0.236 -7.624 5.394) 9.342 17.231 ( -20.485 10.557 -5.095) 23.602 17.550 ( 24.754 0.852 -5.772) 25.433 18.389 ( 0.465 -11.720 13.291) 17.726 18.622 ( 0.696 2.999 5.916) 6.669 18.705 ( -5.701 2.881 -4.369) 7.739 19.054 ( 8.498 7.561 -8.588) 14.253 19.882 ( -8.818 -3.211 -4.707) 10.499 20.245 ( -8.910 3.866 3.203) 10.228 20.513 ( 13.338 3.515 1.288) 13.853 21.154 ( -0.193 -1.016 -0.640) 1.216 ======================= Grid point 12 (8/90) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 11.783 2.775 19.600) 23.037 1.964 ( 7.176 10.469 19.133) 22.960 2.419 ( -9.294 1.120 -5.111) 10.666 2.469 ( -5.057 -9.748 -10.413) 15.133 2.822 ( -2.654 -2.946 -5.075) 6.441 2.946 ( -2.781 5.767 0.276) 6.409 3.063 ( 2.994 0.906 -5.000) 5.898 3.238 ( 1.620 2.545 -2.009) 3.625 3.358 ( 1.121 0.633 18.416) 18.461 3.597 ( 3.351 1.816 10.548) 11.215 3.770 ( -0.532 1.086 5.203) 5.342 4.098 ( -5.062 -5.984 -7.155) 10.612 4.337 ( 5.077 0.522 0.654) 5.146 4.493 ( -13.839 -1.167 -10.552) 17.442 4.823 ( 0.901 -1.673 -4.368) 4.763 5.193 ( 4.888 -0.590 -3.179) 5.860 5.279 ( 3.748 -0.480 -1.052) 3.922 5.555 ( -0.090 7.754 -2.306) 8.090 5.830 ( -0.774 -2.122 1.252) 2.583 6.006 ( 1.093 -1.755 3.127) 3.749 6.287 ( 2.319 0.839 1.596) 2.937 6.656 ( -3.996 -2.194 -5.114) 6.851 7.286 ( 5.803 -4.048 -3.512) 7.899 7.353 ( 0.005 -0.492 -0.669) 0.831 8.535 ( -5.672 -1.772 8.363) 10.259 8.788 ( 0.637 -2.811 2.294) 3.684 9.409 ( 1.673 1.194 4.600) 5.038 10.412 ( -2.034 -4.692 -3.807) 6.375 10.645 ( -4.784 -4.741 -0.777) 6.780 10.800 ( 1.884 -1.422 -0.271) 2.376 10.990 ( -2.220 -0.529 -1.851) 2.938 11.160 ( 5.344 2.393 -6.009) 8.390 11.267 ( 3.817 -6.489 2.516) 7.937 11.764 ( -9.745 3.010 -2.274) 10.449 11.831 ( -5.556 -0.136 -3.665) 6.657 12.187 ( 0.550 1.726 6.789) 7.027 12.261 ( 1.130 -1.213 -7.341) 7.525 12.635 ( 1.934 0.221 -3.761) 4.235 12.881 ( 7.856 3.035 -2.333) 8.739 13.024 ( 0.297 -1.766 -0.589) 1.885 13.377 ( -7.094 -9.717 12.073) 17.044 13.835 ( -1.730 9.612 -1.867) 9.944 14.465 ( 7.505 13.749 8.330) 17.741 14.561 ( 1.480 -1.831 -1.888) 3.018 15.535 ( 6.751 1.609 -12.368) 14.182 16.090 ( -5.653 -10.021 4.887) 12.500 16.950 ( -1.334 -7.358 5.950) 9.556 16.988 ( -18.808 8.390 -2.205) 20.712 17.797 ( 22.612 -2.091 -3.788) 23.022 18.365 ( -2.492 -6.024 -3.714) 7.503 18.632 ( 1.052 -5.651 2.644) 6.327 18.787 ( -1.103 1.765 10.204) 10.414 19.099 ( 3.261 17.679 -10.011) 20.577 19.678 ( -5.297 -5.053 -5.273) 9.022 20.206 ( -6.201 1.642 2.248) 6.798 20.708 ( 6.730 1.891 4.721) 8.435 21.135 ( 0.082 -0.912 -0.764) 1.193 ======================= Grid point 13 (9/90) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( -7.440 -13.502 -12.346) 19.751 2.087 ( -11.477 -7.642 -7.412) 15.654 2.272 ( 3.480 4.156 12.222) 13.370 2.407 ( 3.697 9.615 9.027) 13.696 2.725 ( 0.650 1.592 -4.063) 4.412 2.986 ( -0.989 5.824 4.027) 7.150 3.071 ( 3.137 2.261 -2.239) 4.468 3.269 ( 0.413 3.303 1.838) 3.803 3.446 ( -4.623 -7.633 8.505) 12.327 3.678 ( -1.893 -1.204 -6.138) 6.536 3.872 ( -6.946 -1.476 -3.123) 7.758 4.037 ( 1.385 1.522 4.311) 4.777 4.276 ( -0.874 4.601 -0.766) 4.746 4.353 ( 0.361 -0.255 5.237) 5.255 4.803 ( 4.916 -7.940 1.160) 9.410 5.174 ( 2.414 2.790 -7.800) 8.628 5.330 ( 4.604 0.387 0.270) 4.628 5.585 ( -3.874 7.416 1.130) 8.443 5.787 ( 1.410 -6.320 -2.776) 7.045 6.018 ( -1.796 1.173 1.008) 2.370 6.347 ( 4.910 -3.174 1.865) 6.137 6.574 ( -1.740 2.276 -2.365) 3.715 7.288 ( 6.006 -2.803 -3.801) 7.640 7.355 ( 1.479 -0.588 0.230) 1.608 8.577 ( -7.779 -0.258 11.633) 13.996 8.817 ( 0.487 -1.840 2.841) 3.420 9.413 ( -1.772 -4.191 -3.282) 5.611 10.368 ( 1.816 0.691 1.173) 2.270 10.550 ( -1.917 -4.453 -0.858) 4.924 10.828 ( 2.725 -0.085 0.174) 2.732 10.914 ( -1.033 -1.034 -3.161) 3.482 11.128 ( 2.397 -2.378 -7.202) 7.955 11.339 ( 6.685 -3.878 2.323) 8.070 11.618 ( -5.117 -5.385 0.100) 7.429 11.799 ( -2.905 15.487 -3.545) 16.151 12.170 ( -0.134 -2.054 -4.024) 4.520 12.326 ( 2.318 2.928 6.638) 7.616 12.618 ( 2.988 -1.329 -2.776) 4.290 12.934 ( 1.310 -1.682 -3.349) 3.970 13.034 ( 3.127 5.964 0.123) 6.736 13.351 ( -8.385 -7.347 8.669) 14.122 13.791 ( -2.161 2.070 -7.008) 7.620 14.524 ( 3.173 -2.080 -2.778) 4.703 14.698 ( -5.327 6.980 4.818) 10.016 15.462 ( 10.852 -3.538 -7.684) 13.760 16.154 ( 1.276 4.303 8.812) 9.889 16.816 ( -15.625 6.146 3.194) 17.092 16.957 ( -0.434 -8.147 4.813) 9.473 17.989 ( 18.722 -5.695 -4.006) 19.975 18.222 ( 0.975 0.929 -11.271) 11.351 18.593 ( -6.616 -5.541 2.697) 9.041 18.922 ( 2.291 -3.473 8.386) 9.362 19.098 ( -5.267 12.073 -6.058) 14.498 19.576 ( 3.893 0.836 -3.983) 5.632 20.169 ( -4.781 1.804 0.974) 5.202 20.843 ( 0.898 0.845 5.762) 5.893 21.124 ( 0.782 -0.725 -0.557) 1.203 ======================= Grid point 14 (10/90) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( -14.868 -15.499 -16.645) 27.172 1.694 ( -18.081 -7.970 -10.728) 22.484 2.397 ( -10.037 7.088 -3.100) 12.672 2.613 ( 6.359 1.545 7.031) 9.606 2.752 ( 0.729 0.456 -0.531) 1.010 3.045 ( 1.836 -0.150 -5.200) 5.516 3.094 ( -1.050 4.865 2.817) 5.719 3.324 ( -3.681 -1.653 5.833) 7.093 3.394 ( -7.979 -0.996 4.966) 9.450 3.605 ( 1.587 6.861 3.314) 7.783 3.753 ( -4.524 -3.254 2.038) 5.934 4.121 ( 8.461 1.334 -0.053) 8.566 4.148 ( 0.959 -4.480 -10.340) 11.309 4.638 ( 3.661 3.252 12.448) 13.377 4.862 ( 8.983 -8.120 4.463) 12.906 5.102 ( -0.454 5.011 -7.277) 8.847 5.400 ( 3.078 2.263 0.365) 3.838 5.596 ( -5.647 4.572 3.119) 7.907 5.722 ( 2.629 -7.206 -3.106) 8.276 6.001 ( -1.709 1.031 -1.687) 2.613 6.373 ( -3.162 -2.630 0.608) 4.157 6.608 ( 7.290 2.921 1.421) 7.980 7.296 ( 5.531 -1.022 -3.676) 6.719 7.384 ( 2.321 -0.582 0.680) 2.487 8.645 ( -8.536 0.785 13.112) 15.666 8.825 ( -1.423 -0.632 -0.434) 1.616 9.228 ( -5.854 -6.649 -8.515) 12.288 10.483 ( 3.787 1.166 2.872) 4.894 10.516 ( 4.823 0.204 -0.285) 4.835 10.841 ( 1.085 1.689 -0.646) 2.109 10.910 ( 4.336 1.025 -4.131) 6.076 11.013 ( 0.441 -9.958 -1.826) 10.134 11.432 ( 7.723 -2.162 0.295) 8.025 11.563 ( -2.060 -0.562 1.666) 2.708 11.864 ( -0.286 12.537 -0.845) 12.569 12.139 ( 2.977 1.840 -1.582) 3.841 12.432 ( -0.580 -0.766 3.339) 3.475 12.635 ( 6.452 0.053 -1.665) 6.664 12.865 ( -2.030 -3.026 -1.733) 4.035 13.105 ( -2.673 6.016 0.273) 6.589 13.302 ( -3.856 -3.656 1.926) 5.652 13.638 ( -3.534 -3.367 -7.284) 8.768 14.513 ( -4.686 -3.628 -1.160) 6.039 14.569 ( -11.016 -0.228 -0.422) 11.027 15.622 ( 21.697 4.200 -3.610) 22.393 16.334 ( -4.360 9.064 9.503) 13.837 16.798 ( -4.726 3.254 9.393) 11.007 16.955 ( 0.753 -8.332 4.691) 9.592 18.069 ( 12.994 -9.726 -7.341) 17.813 18.107 ( 3.989 4.681 -12.607) 14.027 18.462 ( -10.993 -1.215 -0.269) 11.064 18.988 ( -10.642 6.232 -1.336) 12.405 19.022 ( 3.637 -9.937 6.243) 12.285 19.668 ( 8.914 7.308 -1.529) 11.628 20.136 ( -3.498 2.762 -0.422) 4.477 20.899 ( -3.404 -0.453 4.547) 5.698 21.135 ( 1.333 -0.418 0.692) 1.559 ======================= Grid point 15 (11/90) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -18.018 -12.088 -14.952) 26.351 1.218 ( -23.731 -8.594 -8.184) 26.533 1.998 ( -34.242 1.839 -13.856) 36.985 2.709 ( -1.189 2.123 -1.149) 2.691 2.731 ( -1.581 -2.175 3.357) 4.301 3.049 ( 4.486 -1.891 -2.461) 5.454 3.138 ( 3.339 1.068 2.741) 4.450 3.312 ( 0.330 1.901 1.024) 2.184 3.502 ( 1.099 2.172 8.681) 9.016 3.757 ( -1.023 2.213 3.962) 4.652 3.789 ( 0.267 4.452 8.014) 9.172 3.969 ( 1.279 -5.607 -9.496) 11.102 4.300 ( 13.734 0.596 2.263) 13.932 4.780 ( 4.022 -0.907 3.377) 5.329 4.978 ( 8.374 -5.869 -1.905) 10.402 5.116 ( 0.737 9.788 3.707) 10.493 5.419 ( -2.812 -0.046 -0.308) 2.829 5.603 ( -4.367 0.620 3.248) 5.478 5.661 ( 2.468 -4.697 -1.948) 5.652 5.950 ( -1.609 -0.491 -2.423) 2.949 6.256 ( -9.730 -0.868 -1.781) 9.930 6.813 ( 12.396 2.717 3.900) 13.276 7.320 ( 5.750 -0.878 -2.439) 6.307 7.417 ( 1.982 -0.104 0.191) 1.994 8.709 ( -9.337 1.398 10.973) 14.475 8.744 ( -3.397 -1.346 -5.351) 6.480 8.965 ( -7.312 -4.208 -9.790) 12.923 10.492 ( 4.347 -1.446 -2.495) 5.217 10.687 ( 6.322 3.931 3.628) 8.282 10.862 ( 3.106 -5.925 -2.396) 7.106 10.914 ( 1.666 3.740 4.746) 6.268 10.992 ( 4.597 -1.544 -3.413) 5.930 11.497 ( 7.859 -3.190 -3.738) 9.269 11.609 ( 1.494 0.605 5.842) 6.061 11.940 ( -0.666 7.978 2.404) 8.359 12.249 ( 6.284 7.764 1.419) 10.089 12.386 ( -0.039 -5.293 -2.892) 6.032 12.724 ( 9.594 -3.660 -1.352) 10.357 12.800 ( -4.710 -1.456 1.246) 5.085 13.054 ( -8.916 2.578 -0.033) 9.281 13.204 ( -0.726 3.937 -12.887) 13.494 13.512 ( -4.120 -8.969 4.266) 10.753 14.206 ( -25.835 -0.257 -0.707) 25.846 14.597 ( 5.325 -0.154 0.175) 5.330 15.919 ( 24.382 3.846 -2.775) 24.839 16.427 ( -8.247 6.925 9.298) 14.227 16.861 ( -3.520 -5.547 4.419) 7.917 17.105 ( 9.559 2.283 11.719) 15.294 17.964 ( 2.667 -8.291 -11.422) 14.364 18.051 ( 5.603 3.168 -9.955) 11.854 18.303 ( -10.563 0.597 -1.447) 10.678 18.872 ( -9.443 -1.203 1.691) 9.668 19.082 ( 2.387 -3.529 3.757) 5.681 19.834 ( 8.367 5.604 0.998) 10.119 20.105 ( -2.224 2.811 -1.779) 4.001 20.887 ( -4.010 -1.621 2.785) 5.145 21.164 ( 0.688 -0.122 1.475) 1.632 ======================= Grid point 16 (12/90) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( -21.354 2.541 0.893) 21.523 0.773 ( -28.562 -3.594 4.360) 29.115 1.316 ( -47.271 1.084 -2.659) 47.358 2.680 ( -0.763 0.195 -2.438) 2.562 2.716 ( -2.782 -0.285 2.080) 3.485 3.050 ( -0.075 -0.007 -0.638) 0.643 3.257 ( 9.027 0.272 0.070) 9.031 3.393 ( 5.939 -0.240 2.142) 6.318 3.592 ( 0.197 0.250 -0.827) 0.886 3.767 ( 3.256 -1.174 -6.332) 7.216 3.826 ( -0.728 1.410 -1.634) 2.278 3.924 ( -3.258 -0.407 5.849) 6.708 4.528 ( 14.762 0.058 1.079) 14.802 4.852 ( -0.803 0.672 2.818) 3.006 5.035 ( 11.547 -4.263 -1.440) 12.393 5.257 ( 0.575 8.016 0.804) 8.077 5.341 ( -4.656 -4.210 0.634) 6.309 5.560 ( -2.740 0.849 -1.123) 3.081 5.679 ( 2.978 -0.103 0.703) 3.061 5.892 ( -2.433 -2.025 -0.213) 3.173 6.082 ( -12.257 0.946 -1.595) 12.396 7.021 ( 10.594 0.131 0.720) 10.619 7.372 ( 5.933 -0.825 -0.053) 5.990 7.438 ( 1.192 0.682 -0.488) 1.457 8.600 ( -3.299 0.830 -6.761) 7.569 8.692 ( -7.601 -1.764 3.199) 8.433 8.763 ( -9.772 0.948 2.653) 10.170 10.547 ( 6.031 1.052 2.597) 6.650 10.777 ( 1.942 -3.877 2.846) 5.187 10.881 ( 3.575 1.656 -4.049) 5.650 10.971 ( 5.345 -0.084 -2.402) 5.860 11.038 ( -4.136 1.952 6.456) 7.912 11.502 ( 7.893 0.529 -6.799) 10.431 11.741 ( 6.187 -4.219 5.910) 9.540 12.053 ( 2.011 6.990 4.115) 8.357 12.182 ( -5.178 -4.883 -7.092) 10.048 12.564 ( 15.178 5.410 7.559) 17.798 12.724 ( -3.930 0.070 -2.967) 4.925 12.766 ( 6.531 -11.988 0.852) 13.678 12.941 ( -9.018 0.969 -0.492) 9.083 13.062 ( -2.081 14.055 -11.150) 18.060 13.471 ( -4.612 -13.184 8.604) 16.405 13.878 ( -26.413 5.984 0.333) 27.084 14.665 ( 4.064 -0.022 0.166) 4.068 16.228 ( 24.265 -0.725 -1.668) 24.333 16.481 ( -0.140 -0.424 -4.201) 4.224 16.804 ( -4.432 0.967 1.638) 4.823 17.418 ( 9.496 0.299 7.425) 12.057 17.753 ( -6.552 -1.895 -5.051) 8.487 18.018 ( 4.555 2.924 -7.829) 9.518 18.188 ( -7.397 -1.093 5.372) 9.207 18.759 ( -9.643 -1.681 2.272) 10.048 19.143 ( 1.106 1.503 2.979) 3.515 19.979 ( 5.507 0.598 2.780) 6.198 20.058 ( -0.284 -0.906 -4.254) 4.358 20.859 ( -1.238 0.042 -2.163) 2.492 21.182 ( 0.174 0.004 0.038) 0.178 ======================= Grid point 18 (13/90) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -10.366 2.715 24.495) 26.736 1.491 ( -5.352 11.366 24.380) 27.427 2.389 ( 1.478 11.107 21.677) 24.401 2.661 ( -4.952 -0.044 6.238) 7.965 2.780 ( 6.076 1.642 -0.419) 6.308 2.965 ( -7.581 2.591 1.359) 8.126 3.098 ( 3.291 1.981 -8.117) 8.980 3.188 ( -1.384 -1.176 -9.915) 10.080 3.261 ( 2.529 -3.613 -6.691) 8.013 3.644 ( -2.218 -4.376 3.584) 6.076 3.823 ( 14.067 3.643 0.357) 14.535 4.098 ( -11.813 -2.242 4.260) 12.756 4.352 ( 3.413 -8.447 -5.269) 10.524 4.693 ( 7.657 0.789 -4.264) 8.799 4.867 ( -0.361 -0.908 -9.613) 9.662 5.172 ( -3.206 -0.277 1.821) 3.698 5.362 ( -3.038 5.987 0.351) 6.723 5.518 ( 2.040 -4.145 -10.907) 11.845 5.734 ( 1.035 -3.228 8.337) 9.000 6.004 ( -3.231 -0.023 2.668) 4.190 6.195 ( -2.842 9.285 3.870) 10.453 6.831 ( 5.828 -8.695 -6.878) 12.525 7.316 ( -2.823 -2.019 -4.162) 5.419 7.393 ( -0.753 0.644 -1.612) 1.893 8.538 ( 2.597 -2.849 1.933) 4.313 8.780 ( -2.040 2.553 3.054) 4.473 9.268 ( 1.458 -2.516 10.218) 10.624 10.608 ( -0.907 -0.626 -1.725) 2.047 10.698 ( -1.187 -6.404 -3.518) 7.403 10.772 ( 5.601 -6.207 -1.303) 8.461 10.975 ( -1.584 0.285 3.308) 3.679 11.059 ( 3.763 -3.669 -4.657) 7.022 11.464 ( -6.968 -10.336 -4.198) 13.153 11.731 ( 14.691 7.503 1.466) 16.561 11.887 ( 2.835 -8.496 0.586) 8.975 12.331 ( 1.317 2.384 -3.910) 4.765 12.365 ( -2.205 1.214 -5.203) 5.780 12.707 ( -2.414 6.316 -4.918) 8.361 12.803 ( 0.804 0.956 -0.601) 1.386 12.912 ( -3.997 -12.267 2.703) 13.182 13.461 ( -0.263 -9.954 7.899) 12.710 13.704 ( 2.525 11.478 7.187) 13.776 14.012 ( -4.577 16.313 11.890) 20.699 14.597 ( -0.010 -3.092 -3.513) 4.680 15.675 ( -13.568 27.268 -16.190) 34.493 16.354 ( 8.945 -24.562 3.853) 26.423 16.920 ( 5.913 -6.165 3.639) 9.285 16.978 ( 9.756 -3.756 -6.736) 12.436 17.766 ( -18.507 14.244 -4.119) 23.714 18.373 ( -1.355 -9.990 11.750) 15.482 18.628 ( 11.291 -2.922 4.449) 12.483 18.735 ( -6.056 1.257 -3.822) 7.271 18.905 ( -1.453 4.881 -4.035) 6.498 20.067 ( -1.553 3.462 -6.673) 7.676 20.085 ( 13.365 -1.365 3.497) 13.882 20.572 ( -11.398 6.771 0.533) 13.269 21.153 ( 0.223 -1.092 -0.580) 1.256 ======================= Grid point 19 (14/90) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 2.462 4.535 23.357) 23.920 1.866 ( -0.082 9.857 22.155) 24.249 2.476 ( 3.067 -8.175 -6.695) 11.003 2.651 ( -7.006 -1.272 -4.116) 8.225 2.839 ( 4.964 0.772 -2.024) 5.416 2.972 ( -2.271 0.294 -8.511) 8.814 3.031 ( -0.738 5.125 -1.334) 5.347 3.167 ( 2.615 5.519 1.960) 6.414 3.347 ( -0.624 5.812 23.643) 24.355 3.619 ( -2.477 -3.281 3.337) 5.295 3.943 ( -10.425 -5.105 1.031) 11.653 4.039 ( 10.627 -0.055 2.004) 10.814 4.255 ( -0.826 -4.377 -2.144) 4.943 4.692 ( -2.593 -3.067 -10.229) 10.989 4.777 ( 6.940 3.244 -4.233) 8.752 5.162 ( -1.353 1.910 0.369) 2.369 5.252 ( -5.560 -2.439 -8.223) 10.222 5.440 ( 4.899 5.031 -4.389) 8.281 5.857 ( 4.957 -3.799 4.861) 7.914 5.974 ( -5.397 -0.077 3.049) 6.199 6.307 ( -0.676 7.730 3.878) 8.675 6.702 ( 1.289 -9.419 -7.918) 12.372 7.192 ( -0.590 -3.867 -5.739) 6.945 7.367 ( -0.811 -0.022 -0.892) 1.205 8.602 ( 1.328 -4.757 8.240) 9.607 8.817 ( -2.216 -0.882 4.605) 5.186 9.386 ( 0.172 -1.062 7.317) 7.395 10.484 ( -4.880 -3.589 -3.257) 6.878 10.683 ( 2.564 -0.340 -2.704) 3.742 10.776 ( 3.112 -7.416 2.061) 8.303 10.960 ( 3.757 -2.918 -5.681) 7.409 11.032 ( 1.207 -1.986 -1.435) 2.732 11.265 ( -3.027 -5.742 -4.748) 8.042 11.835 ( 1.498 -0.849 -3.928) 4.289 11.981 ( 4.715 -0.034 4.643) 6.618 12.218 ( -4.410 -3.085 -4.447) 6.981 12.263 ( -2.756 4.607 -3.808) 6.582 12.615 ( -3.746 10.784 -9.579) 14.903 12.822 ( -2.718 -7.217 4.282) 8.821 12.901 ( 7.806 -2.460 0.464) 8.197 13.485 ( -1.920 -11.213 10.254) 15.315 13.897 ( 0.312 17.984 -0.501) 17.994 14.298 ( 4.147 7.940 13.861) 16.503 14.510 ( 0.456 -3.154 -5.287) 6.173 15.538 ( -8.165 23.978 -12.199) 28.115 16.230 ( -2.423 -24.171 3.842) 24.595 16.948 ( 0.142 -10.355 5.779) 11.859 17.156 ( 23.514 0.830 -4.045) 23.874 17.559 ( -20.980 10.432 -0.503) 23.436 18.438 ( -1.095 -14.579 5.828) 15.739 18.492 ( 2.772 -2.649 -10.573) 11.246 18.804 ( 6.309 1.201 2.408) 6.859 19.010 ( -1.669 16.522 3.263) 16.924 19.886 ( -7.844 1.951 -10.665) 13.382 20.243 ( 7.638 -1.565 -1.605) 7.960 20.598 ( -2.721 4.813 10.115) 11.528 21.134 ( -0.038 -1.347 -0.899) 1.620 ======================= Grid point 20 (15/90) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 5.379 1.031 15.440) 16.383 2.206 ( 0.934 4.522 13.788) 14.540 2.287 ( -0.464 -9.293 -7.836) 12.165 2.482 ( -7.943 -0.022 -2.520) 8.333 2.796 ( -4.343 -0.300 -3.852) 5.813 2.891 ( 6.344 5.732 -5.291) 10.055 3.108 ( -1.362 4.231 3.724) 5.799 3.216 ( 1.879 3.855 -0.186) 4.292 3.519 ( -2.950 -6.615 6.626) 9.816 3.693 ( -0.552 -2.968 -1.643) 3.437 3.993 ( -1.761 6.303 17.827) 18.990 4.049 ( -3.569 -1.274 1.461) 4.061 4.257 ( 3.243 -1.219 -2.305) 4.162 4.492 ( -2.948 -3.262 -6.426) 7.787 4.732 ( -3.292 -2.198 -4.458) 5.962 5.135 ( 2.202 3.347 -5.490) 6.796 5.186 ( 3.651 2.747 -1.208) 4.726 5.514 ( 5.483 5.106 -1.844) 7.716 5.871 ( -3.378 -2.396 0.207) 4.146 5.997 ( 2.385 -2.195 2.426) 4.049 6.330 ( -5.001 0.112 -0.089) 5.003 6.581 ( 2.565 -1.940 -4.155) 5.254 7.106 ( 4.993 -5.590 -5.520) 9.308 7.350 ( -0.350 -0.154 -0.233) 0.448 8.724 ( 0.284 -3.318 11.570) 12.040 8.839 ( -4.314 -3.949 7.811) 9.758 9.440 ( -1.247 -2.030 2.198) 3.242 10.380 ( -2.683 -2.605 -0.619) 3.790 10.636 ( -1.940 -4.123 -1.831) 4.910 10.781 ( -0.131 -3.412 1.727) 3.827 10.922 ( 9.101 -4.917 -8.764) 13.558 10.987 ( -1.041 2.698 -4.008) 4.942 11.189 ( 4.392 -2.302 -3.840) 6.272 11.772 ( -1.888 -6.189 -1.650) 6.678 11.916 ( -10.764 7.613 -3.914) 13.753 12.131 ( 2.627 -3.415 -3.705) 5.682 12.368 ( 3.306 4.345 7.824) 9.541 12.529 ( -1.230 10.487 -8.962) 13.850 12.827 ( 1.128 -4.099 4.141) 5.935 12.961 ( 4.945 -1.011 -1.874) 5.385 13.503 ( -2.243 -9.727 6.855) 12.110 13.934 ( -6.569 11.012 -4.060) 13.450 14.434 ( 3.023 -2.643 -5.550) 6.850 14.609 ( 7.889 6.171 11.666) 15.376 15.432 ( -6.982 10.995 -10.002) 16.422 16.147 ( -1.005 -8.637 8.098) 11.882 16.941 ( 0.258 -10.966 4.075) 11.702 17.308 ( -8.658 7.120 -1.594) 11.323 17.479 ( 9.807 -1.438 3.087) 10.381 18.222 ( -0.957 -3.592 -13.349) 13.857 18.527 ( 6.888 -10.840 1.866) 12.978 18.927 ( 3.880 2.454 3.709) 5.902 19.147 ( -3.181 16.635 2.608) 17.136 19.644 ( -7.257 1.211 -10.165) 12.548 20.249 ( 0.455 -2.923 -1.036) 3.134 20.782 ( 2.197 3.749 9.778) 10.700 21.110 ( 0.171 -1.266 -1.169) 1.731 ======================= Grid point 21 (16/90) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( -7.553 -15.437 -11.295) 20.566 2.133 ( -14.501 -5.754 -3.544) 15.999 2.422 ( 5.959 2.494 13.593) 15.050 2.542 ( 0.404 8.230 4.248) 9.270 2.729 ( -2.431 3.879 -0.410) 4.596 2.960 ( 4.537 4.135 -3.169) 6.908 3.134 ( -3.098 3.027 2.453) 4.977 3.346 ( 3.886 5.720 7.575) 10.257 3.525 ( 1.476 -3.949 0.074) 4.217 3.609 ( -2.192 -3.263 -0.997) 4.056 3.888 ( -5.526 -3.248 -1.716) 6.636 4.124 ( -1.658 -4.483 -6.618) 8.164 4.184 ( -10.109 2.986 -2.021) 10.733 4.521 ( 7.509 -3.684 2.117) 8.627 4.700 ( 0.017 0.046 10.275) 10.275 5.131 ( -0.338 5.951 -3.527) 6.926 5.268 ( 5.965 3.582 0.027) 6.958 5.575 ( 4.344 0.734 -2.210) 4.929 5.793 ( -5.680 -1.666 0.312) 5.927 6.012 ( 1.386 -1.901 -1.482) 2.781 6.296 ( 3.134 -2.006 1.060) 3.869 6.571 ( -0.186 2.442 -2.013) 3.170 7.084 ( 8.743 -5.936 -4.559) 11.510 7.352 ( 0.469 0.460 0.189) 0.684 8.832 ( 0.875 -2.847 3.172) 4.351 8.886 ( -7.903 -2.488 15.977) 17.998 9.368 ( -5.250 -4.172 -2.736) 7.243 10.377 ( 1.431 0.791 2.807) 3.249 10.548 ( -3.327 -5.293 0.148) 6.253 10.782 ( 2.492 1.884 -3.191) 4.465 10.856 ( 0.630 -1.744 -4.284) 4.668 10.954 ( 4.968 -1.313 -7.262) 8.896 11.211 ( 8.376 -3.602 -2.415) 9.432 11.662 ( -5.376 -6.101 1.828) 8.334 11.834 ( -1.837 11.635 -6.858) 13.630 12.121 ( 2.246 -2.127 0.397) 3.119 12.494 ( -5.063 8.376 2.988) 10.233 12.521 ( 4.240 1.151 -1.097) 4.529 12.873 ( 2.002 -3.579 1.707) 4.442 13.009 ( 5.424 3.979 -0.657) 6.759 13.452 ( -3.714 -8.525 1.285) 9.388 13.816 ( -9.936 3.401 -3.488) 11.066 14.398 ( 4.954 -3.166 -3.901) 7.055 14.892 ( 2.892 7.454 8.511) 11.677 15.254 ( -2.980 0.196 -8.618) 9.120 16.292 ( 3.051 5.372 10.305) 12.015 16.898 ( 0.251 -9.885 1.363) 9.982 17.195 ( -16.352 4.657 5.687) 17.928 17.661 ( 15.867 -6.545 -0.842) 17.184 18.029 ( 1.811 1.185 -13.576) 13.748 18.534 ( 5.057 -8.043 -1.519) 9.622 19.019 ( -0.585 -1.516 4.478) 4.764 19.229 ( -7.092 12.754 0.976) 14.626 19.496 ( 1.283 3.396 -4.592) 5.854 20.206 ( -1.072 -2.216 -1.426) 2.845 20.939 ( -0.045 2.150 6.343) 6.698 21.094 ( 1.323 -0.988 -0.589) 1.753 ======================= Grid point 22 (17/90) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( -14.909 -12.265 -8.610) 21.139 1.809 ( -20.429 -5.508 -2.562) 21.313 2.552 ( -5.436 8.056 -2.972) 10.163 2.688 ( -0.526 1.930 10.627) 10.814 2.740 ( 1.434 0.264 -0.280) 1.485 2.951 ( 0.656 -0.141 -4.612) 4.660 3.150 ( -0.514 3.717 -1.463) 4.027 3.425 ( -4.598 -3.537 0.966) 5.881 3.499 ( 0.093 1.520 0.027) 1.523 3.716 ( 3.890 8.425 8.208) 12.389 3.843 ( -4.167 -3.561 7.735) 9.481 3.934 ( -2.063 -4.726 -10.895) 12.053 4.064 ( 0.223 0.065 -1.476) 1.494 4.548 ( 10.738 -8.025 -4.225) 14.055 4.903 ( 0.245 2.320 10.320) 10.580 5.122 ( -1.586 6.962 -1.645) 7.328 5.378 ( 3.977 3.577 1.363) 5.520 5.593 ( 3.836 -5.050 -0.603) 6.370 5.719 ( -4.795 -0.031 0.095) 4.796 5.979 ( -0.014 -0.626 -2.574) 2.649 6.377 ( 3.521 -1.697 2.005) 4.393 6.569 ( 2.334 3.318 -0.351) 4.072 7.109 ( 9.603 -5.004 -3.561) 11.399 7.371 ( 1.324 1.168 -0.100) 1.768 8.813 ( -1.719 -1.475 -2.237) 3.183 8.969 ( -7.964 -1.224 10.479) 13.219 9.199 ( -10.654 -2.633 -0.583) 10.990 10.475 ( -1.033 -2.342 -0.146) 2.564 10.503 ( 5.134 3.291 4.174) 7.390 10.784 ( 3.367 2.607 -6.948) 8.149 10.835 ( 3.173 2.304 0.444) 3.946 10.890 ( 2.738 -7.959 -3.156) 8.989 11.274 ( 9.156 -4.244 -1.553) 10.211 11.621 ( -2.108 -2.961 4.120) 5.494 11.843 ( 4.951 9.835 -6.986) 13.040 12.173 ( 0.964 1.343 5.315) 5.566 12.508 ( -6.958 -3.063 2.176) 7.908 12.536 ( 4.320 4.807 -3.231) 7.226 12.880 ( -0.589 -2.147 1.948) 2.959 13.099 ( 3.993 6.852 -4.902) 9.323 13.324 ( -5.117 -6.559 -1.898) 8.533 13.675 ( -9.267 -2.806 2.498) 10.000 14.416 ( 6.629 -2.159 -1.292) 7.091 14.855 ( -21.756 5.597 0.626) 22.473 15.317 ( 20.024 0.342 -1.831) 20.110 16.495 ( 1.035 6.459 3.971) 7.653 16.897 ( 5.836 -6.960 5.291) 10.512 17.104 ( -12.866 2.742 4.524) 13.911 17.745 ( 10.747 -10.077 -3.218) 15.080 17.925 ( 3.267 6.422 -10.019) 12.341 18.504 ( 0.088 -4.280 -1.062) 4.411 18.993 ( -2.755 -4.280 -0.741) 5.144 19.209 ( -9.405 6.208 4.448) 12.115 19.600 ( 8.261 5.900 1.690) 10.291 20.150 ( -0.925 -1.389 -2.914) 3.358 20.965 ( -2.492 -0.167 -0.239) 2.509 21.130 ( 1.975 0.002 2.016) 2.822 ======================= Grid point 23 (18/90) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -19.436 -0.919 1.069) 19.488 1.477 ( -24.495 -3.214 3.513) 24.953 2.339 ( -25.969 2.584 -2.298) 26.198 2.720 ( -1.057 1.656 -0.564) 2.044 2.799 ( -2.853 -1.224 1.936) 3.659 2.929 ( 5.772 -0.121 -0.790) 5.827 3.147 ( 0.091 2.586 -1.140) 2.828 3.332 ( -1.981 -2.358 -1.287) 3.338 3.552 ( 2.181 0.493 -0.041) 2.236 3.694 ( 0.021 -2.516 -9.800) 10.118 3.848 ( -0.767 3.571 -1.145) 3.827 3.944 ( 0.749 -1.039 6.420) 6.546 4.181 ( 10.422 -0.635 4.766) 11.477 4.639 ( 12.843 -2.141 2.172) 13.200 4.976 ( -2.404 -2.155 3.312) 4.626 5.177 ( 2.720 9.799 -1.766) 10.322 5.419 ( -0.406 -1.563 -1.448) 2.169 5.581 ( 1.080 -5.272 0.529) 5.408 5.681 ( -2.016 0.682 1.228) 2.457 5.943 ( -1.166 0.203 -1.353) 1.797 6.344 ( -6.186 -0.307 -0.832) 6.249 6.713 ( 10.822 1.582 2.129) 11.143 7.166 ( 9.432 -3.193 -1.260) 10.037 7.398 ( 1.726 1.802 -0.739) 2.603 8.706 ( -4.242 2.275 -7.475) 8.891 8.890 ( -6.893 -2.541 -3.334) 8.068 9.105 ( -14.975 0.520 11.200) 18.708 10.461 ( 1.007 0.627 1.211) 1.695 10.686 ( 7.335 3.881 3.593) 9.043 10.738 ( 2.746 -5.453 -2.426) 6.570 10.832 ( 4.996 -3.281 -5.069) 7.837 10.988 ( 6.564 8.074 4.617) 11.383 11.319 ( 5.896 -4.942 -2.110) 7.977 11.661 ( 0.639 -3.925 6.234) 7.394 11.902 ( 8.736 5.228 -6.263) 11.953 12.332 ( 3.450 5.191 9.771) 11.590 12.358 ( -8.837 -5.278 -3.230) 10.788 12.588 ( 5.098 0.641 -1.279) 5.295 12.845 ( -3.065 -5.933 -1.232) 6.790 13.072 ( 0.492 12.462 -9.184) 15.488 13.195 ( -7.872 -1.950 -0.545) 8.129 13.613 ( -6.541 -9.569 9.500) 14.987 14.490 ( 2.585 1.593 0.273) 3.048 14.593 ( -20.492 5.075 -0.320) 21.113 15.588 ( 22.576 -0.943 -0.286) 22.598 16.487 ( -0.464 -3.252 -5.212) 6.161 16.959 ( -5.595 3.220 -2.489) 6.918 17.145 ( 8.890 -0.333 6.760) 11.173 17.732 ( 4.713 -7.980 -0.376) 9.275 17.935 ( 2.278 10.358 -3.764) 11.254 18.435 ( -6.519 -3.511 1.762) 7.611 18.910 ( -1.492 -4.377 -1.942) 5.016 19.216 ( -7.539 5.316 6.350) 11.199 19.789 ( 8.290 1.445 4.707) 9.642 20.068 ( -0.417 -2.403 -6.134) 6.602 20.905 ( -2.248 0.070 -2.922) 3.687 21.168 ( 0.954 0.081 0.313) 1.007 ======================= Grid point 24 (19/90) ======================= q-point: (-0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -17.198 10.564 15.330) 25.346 1.264 ( -23.745 3.422 12.646) 27.119 1.975 ( -35.268 1.675 11.826) 37.236 2.670 ( -2.284 1.113 -1.898) 3.172 2.771 ( -2.140 -1.131 0.172) 2.427 3.007 ( 4.513 3.002 -2.215) 5.856 3.190 ( 3.912 -0.231 3.162) 5.036 3.299 ( 4.453 -4.554 -4.700) 7.916 3.476 ( 0.642 -0.389 -9.815) 9.844 3.639 ( 4.738 -0.522 -4.072) 6.269 3.769 ( -2.199 2.653 -8.565) 9.232 4.058 ( -0.496 -0.596 9.093) 9.126 4.340 ( 11.381 -3.149 -1.063) 11.857 4.874 ( 10.129 1.022 6.230) 11.936 4.920 ( -3.285 -5.785 -1.883) 6.914 5.228 ( 3.248 2.408 -5.310) 6.674 5.337 ( -2.120 -0.275 -3.669) 4.247 5.560 ( -1.290 -1.107 0.218) 1.714 5.717 ( -0.312 1.437 3.821) 4.094 5.920 ( -1.417 2.037 0.408) 2.515 6.238 ( -9.307 1.510 0.745) 9.458 6.848 ( 10.362 -3.631 -2.678) 11.302 7.284 ( 8.228 -0.122 2.050) 8.481 7.420 ( 1.387 2.027 -1.213) 2.740 8.564 ( -3.136 4.630 -7.891) 9.671 8.777 ( -3.755 -0.133 0.737) 3.829 9.064 ( -14.099 0.558 10.547) 17.616 10.554 ( 4.992 0.802 4.795) 6.968 10.688 ( 4.473 -7.200 -4.804) 9.743 10.791 ( 3.924 3.359 -1.220) 5.308 10.901 ( 6.725 -0.620 3.997) 7.848 11.182 ( -2.561 2.392 5.536) 6.552 11.299 ( 8.297 3.082 -7.446) 11.567 11.729 ( 1.861 -8.158 6.308) 10.479 11.965 ( 9.338 -3.570 -4.744) 11.066 12.158 ( -5.860 -0.534 -4.133) 7.191 12.515 ( 1.803 -0.967 1.265) 2.406 12.650 ( 5.177 2.470 -2.764) 6.367 12.794 ( 3.174 -2.408 10.090) 10.848 13.051 ( -7.655 -1.569 -1.835) 8.027 13.099 ( -1.450 16.143 -4.083) 16.715 13.589 ( -6.769 -11.220 10.803) 16.982 14.274 ( -26.557 6.030 -0.244) 27.235 14.604 ( 5.078 -0.426 0.492) 5.119 15.878 ( 23.341 -3.367 0.077) 23.582 16.306 ( -3.184 -1.702 -14.580) 15.020 16.885 ( -2.666 5.857 -3.199) 7.186 17.229 ( 7.741 -11.585 -6.812) 15.509 17.871 ( 4.408 5.635 13.949) 15.677 17.990 ( -1.757 11.865 -2.656) 12.285 18.366 ( -6.285 -6.163 7.913) 11.836 18.825 ( -2.853 -2.563 -2.473) 4.563 19.257 ( -5.660 3.277 5.050) 8.263 19.883 ( 3.931 -11.483 -4.489) 12.941 19.995 ( 3.400 3.069 0.978) 4.683 20.835 ( -2.778 4.315 -5.438) 7.478 21.168 ( 0.355 0.009 -1.191) 1.242 ======================= Grid point 26 (20/90) ======================= q-point: ( 0.12 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( -14.429 1.290 20.251) 24.899 1.955 ( -6.102 8.678 19.719) 22.391 2.347 ( 6.708 -4.674 -6.738) 10.595 2.584 ( 10.833 -2.141 -8.237) 13.776 2.799 ( -2.084 -2.058 0.996) 3.094 2.923 ( 4.858 3.272 -10.269) 11.822 3.113 ( -2.787 2.138 -6.891) 7.735 3.165 ( -2.398 0.049 -0.716) 2.503 3.387 ( -1.490 4.437 22.719) 23.196 3.682 ( -3.370 0.400 3.711) 5.028 3.783 ( 5.066 5.862 8.258) 11.324 4.133 ( 2.127 -7.503 -4.886) 9.203 4.278 ( -3.032 0.257 -1.869) 3.571 4.470 ( 12.511 -1.875 -5.311) 13.721 4.772 ( -3.937 -3.899 -2.432) 6.051 5.247 ( -3.663 3.083 -0.900) 4.872 5.323 ( -0.813 -3.379 -8.370) 9.063 5.457 ( -2.345 5.567 0.367) 6.052 5.825 ( -2.583 -2.177 4.932) 5.978 6.017 ( 2.685 -0.287 -0.979) 2.872 6.335 ( -2.743 3.464 3.127) 5.413 6.621 ( 3.583 -4.597 -5.128) 7.763 7.276 ( -3.887 -3.095 -5.140) 7.149 7.392 ( -0.936 0.029 -0.775) 1.216 8.507 ( 4.657 -3.546 4.721) 7.520 8.836 ( 1.092 0.026 2.689) 2.902 9.399 ( -1.692 0.339 8.473) 8.647 10.514 ( 8.656 0.029 -2.652) 9.053 10.644 ( 4.968 -6.255 0.976) 8.047 10.706 ( -10.013 -3.725 -3.087) 11.121 10.902 ( -0.313 -6.339 -5.602) 8.465 11.088 ( -4.639 2.509 4.195) 6.739 11.377 ( -3.906 -9.850 -7.703) 13.100 11.658 ( 9.315 8.433 2.151) 12.748 11.826 ( 3.259 -2.503 0.266) 4.118 12.246 ( -0.346 1.219 -2.941) 3.202 12.366 ( 4.383 5.797 -0.941) 7.328 12.718 ( -0.125 4.705 -2.762) 5.458 12.801 ( -6.742 -1.143 -5.385) 8.704 12.921 ( -3.878 -6.970 2.757) 8.439 13.437 ( 7.279 -7.399 5.892) 11.935 13.840 ( 1.231 7.441 3.882) 8.482 14.360 ( -9.781 11.331 6.959) 16.507 14.546 ( -1.885 -1.913 -1.466) 3.059 15.800 ( -5.511 19.920 -13.511) 24.692 16.094 ( 11.140 -18.418 5.387) 22.189 16.703 ( 7.405 -3.140 -2.335) 8.376 16.956 ( -0.183 -6.752 4.794) 8.283 18.053 ( -15.110 13.563 -2.145) 20.417 18.362 ( 4.251 -10.096 -3.312) 11.444 18.474 ( 2.102 -9.687 2.679) 10.268 18.765 ( -6.080 -3.328 -5.226) 8.680 19.060 ( -0.831 16.235 9.216) 18.687 19.874 ( 12.451 5.121 -6.241) 14.839 20.070 ( -1.555 -5.028 0.039) 5.263 20.738 ( -4.957 3.020 2.537) 6.335 21.136 ( -0.058 -0.892 -0.505) 1.027 ======================= Grid point 27 (21/90) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( -3.462 1.156 17.169) 17.553 2.202 ( -0.676 5.260 13.613) 14.609 2.252 ( 2.600 -8.380 -7.607) 11.612 2.585 ( 4.025 -2.306 -2.515) 5.277 2.756 ( 0.336 3.555 -3.665) 5.117 2.890 ( -0.839 -0.879 -5.278) 5.416 3.033 ( 2.925 4.465 -0.997) 5.430 3.195 ( 1.588 4.360 0.604) 4.679 3.645 ( -0.038 -6.308 6.022) 8.721 3.659 ( -3.222 -0.190 2.235) 3.926 4.014 ( 4.889 -4.897 4.058) 8.022 4.085 ( -1.294 7.369 14.097) 15.959 4.228 ( -2.020 -0.097 -2.850) 3.495 4.540 ( 3.229 -1.204 -6.985) 7.789 4.666 ( 2.647 -2.479 -0.649) 3.684 5.140 ( -3.244 3.063 -9.524) 10.517 5.224 ( -3.511 2.889 -0.940) 4.643 5.467 ( -2.763 4.210 1.850) 5.365 5.852 ( 0.722 -2.665 2.430) 3.678 6.014 ( 0.575 -0.781 -1.704) 1.961 6.406 ( 2.394 2.411 3.688) 5.014 6.519 ( -1.797 -4.796 -6.402) 8.199 7.096 ( -3.721 -4.859 -7.463) 9.651 7.366 ( -0.890 -0.833 -0.486) 1.312 8.641 ( 4.924 -6.108 9.966) 12.684 8.903 ( 0.659 -2.246 6.218) 6.644 9.492 ( -2.011 -0.440 7.648) 7.920 10.520 ( -7.623 -2.812 -1.314) 8.231 10.595 ( 7.677 2.649 -4.406) 9.240 10.658 ( 4.288 -9.090 -0.912) 10.091 10.781 ( 0.689 -4.523 -3.677) 5.869 11.073 ( -5.079 1.726 -3.054) 6.173 11.167 ( -2.069 -5.889 -4.419) 7.648 11.779 ( 2.129 5.032 -4.330) 6.972 11.886 ( 9.019 -4.959 0.580) 10.309 12.218 ( -1.227 4.261 0.430) 4.455 12.360 ( -11.270 3.523 -2.698) 12.112 12.631 ( -0.082 13.380 -8.611) 15.912 12.788 ( 5.054 -6.646 2.368) 8.679 12.881 ( -3.504 -4.058 4.428) 6.953 13.500 ( 2.683 -10.126 4.506) 11.403 13.969 ( 3.506 10.549 -1.740) 11.252 14.377 ( -0.729 -0.615 -3.498) 3.626 14.561 ( -3.901 5.826 8.923) 11.348 15.679 ( -8.578 17.821 -11.058) 22.659 16.130 ( 3.950 -17.287 7.771) 19.361 16.828 ( 12.384 0.052 -0.977) 12.422 16.990 ( 3.121 -8.135 7.222) 11.317 17.896 ( -18.134 8.084 0.611) 19.863 18.247 ( 0.637 -3.726 -14.245) 14.738 18.370 ( 3.139 -14.244 0.478) 14.594 18.787 ( 3.800 4.339 3.391) 6.690 19.261 ( -4.109 13.780 7.844) 16.380 19.812 ( -3.100 7.079 -15.234) 17.082 20.108 ( 8.247 -8.039 3.217) 11.958 20.782 ( -1.715 2.753 7.112) 7.817 21.116 ( -0.547 -1.008 -0.663) 1.324 ======================= Grid point 28 (22/90) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 0.300 -12.093 -8.943) 15.044 2.307 ( 1.864 5.330 11.759) 13.044 2.375 ( -0.188 1.667 7.182) 7.375 2.535 ( -4.109 -3.141 0.635) 5.211 2.798 ( -0.745 -0.361 -1.837) 2.015 2.830 ( 3.989 7.997 0.701) 8.964 3.165 ( 4.774 4.271 4.474) 7.814 3.272 ( 0.710 5.612 3.232) 6.515 3.480 ( -2.680 -8.832 -9.012) 12.900 3.668 ( -1.615 -0.888 2.520) 3.122 4.033 ( -3.807 -4.068 -1.602) 5.797 4.152 ( 1.528 -3.943 -2.358) 4.842 4.307 ( 0.248 -7.298 -4.245) 8.447 4.441 ( -2.920 6.874 10.575) 12.946 4.737 ( 3.675 1.536 -1.535) 4.268 5.081 ( -1.025 7.106 2.128) 7.489 5.204 ( -1.207 4.693 -1.183) 4.988 5.509 ( -0.054 3.456 1.898) 3.944 5.852 ( 1.247 -3.870 -1.178) 4.233 5.988 ( -0.195 -0.562 -1.337) 1.463 6.343 ( -4.023 -5.109 -6.059) 8.888 6.510 ( 3.201 2.597 2.157) 4.652 6.940 ( 1.026 -5.123 -6.203) 8.110 7.349 ( -0.251 -0.648 0.046) 0.697 8.782 ( 3.038 -6.040 7.861) 10.369 8.990 ( 0.064 -3.719 9.009) 9.747 9.534 ( -6.540 -1.342 7.304) 9.896 10.422 ( -4.589 -1.753 1.338) 5.091 10.579 ( 3.307 -8.155 -5.895) 10.592 10.637 ( 6.980 5.041 -7.167) 11.203 10.778 ( 2.273 -1.897 1.535) 3.335 10.937 ( -1.166 -1.999 -7.051) 7.421 11.087 ( -1.529 -0.991 -2.755) 3.303 11.755 ( -1.300 -0.371 -1.518) 2.032 11.931 ( 4.869 -2.098 -3.101) 6.142 12.149 ( -12.160 -0.070 -1.466) 12.248 12.300 ( 6.299 7.974 -3.554) 10.766 12.665 ( -3.047 10.175 1.741) 10.764 12.860 ( 5.957 -0.863 0.740) 6.065 12.876 ( -2.395 -3.216 4.686) 6.167 13.484 ( 0.889 -8.697 -0.153) 8.744 14.008 ( -1.603 6.087 -3.925) 7.418 14.302 ( 1.456 -2.351 -4.556) 5.329 14.712 ( 2.202 2.984 8.656) 9.417 15.530 ( -10.067 8.814 -7.332) 15.257 16.225 ( 2.599 -1.707 10.808) 11.246 16.873 ( 2.243 -9.759 0.131) 10.014 17.154 ( 12.807 -1.493 2.792) 13.193 17.751 ( -17.060 4.953 5.294) 18.536 18.012 ( -0.565 -3.020 -13.464) 13.810 18.343 ( 7.469 -8.245 -3.516) 11.667 18.935 ( 4.873 2.619 4.627) 7.212 19.386 ( -5.215 11.520 5.599) 13.829 19.595 ( -5.663 4.267 -12.176) 14.090 20.160 ( 4.788 -6.723 -0.106) 8.254 20.912 ( 1.637 2.867 7.380) 8.085 21.089 ( -0.891 -0.849 -0.938) 1.548 ======================= Grid point 29 (23/90) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -4.536 -9.936 -6.687) 12.807 2.262 ( -13.290 -4.733 0.303) 14.111 2.544 ( -0.142 2.772 7.419) 7.921 2.589 ( 6.847 4.869 1.417) 8.521 2.816 ( -1.514 4.448 3.623) 5.933 2.927 ( 1.462 2.677 0.075) 3.051 3.182 ( -3.708 -1.691 -4.510) 6.079 3.349 ( 7.260 -1.158 -4.608) 8.677 3.471 ( 3.894 7.374 8.242) 11.725 3.651 ( -2.194 -3.768 2.625) 5.090 3.944 ( -3.859 0.378 1.033) 4.012 3.975 ( -3.026 -4.746 -9.477) 11.022 4.268 ( 7.984 -6.758 -3.029) 10.890 4.433 ( -15.781 -0.971 1.368) 15.870 4.836 ( 6.931 3.611 1.931) 8.050 5.168 ( -1.288 4.250 1.399) 4.656 5.284 ( 1.826 6.981 6.430) 9.665 5.545 ( -0.798 0.540 1.649) 1.910 5.790 ( 0.217 -5.597 -3.606) 6.662 5.967 ( -0.035 0.257 -1.289) 1.315 6.243 ( 2.445 -1.443 -1.564) 3.241 6.569 ( 0.836 2.354 -0.326) 2.519 6.881 ( 5.954 -5.328 -3.271) 8.634 7.350 ( 0.359 0.323 -0.026) 0.484 8.829 ( 0.385 -2.937 1.245) 3.214 9.072 ( -0.457 -3.068 4.900) 5.799 9.518 ( -12.148 -1.279 10.682) 16.227 10.410 ( 0.523 -0.240 1.751) 1.844 10.490 ( 3.749 -3.739 -6.725) 8.559 10.676 ( 4.982 4.567 -4.201) 7.958 10.798 ( 0.007 -0.378 -1.089) 1.153 10.830 ( 0.065 -1.478 -4.666) 4.895 11.059 ( 5.029 -2.699 -0.985) 5.792 11.708 ( -3.214 -3.630 1.801) 5.172 11.868 ( -5.572 6.048 -6.064) 10.218 12.093 ( 2.893 -4.504 4.546) 7.023 12.384 ( 7.542 7.469 -5.873) 12.131 12.709 ( -6.556 2.000 4.650) 8.283 12.869 ( 0.556 -0.699 0.763) 1.175 12.977 ( 3.934 3.577 2.589) 5.914 13.392 ( -0.678 -6.940 -3.665) 7.877 13.930 ( -7.323 1.183 -1.396) 7.548 14.272 ( 3.544 -2.098 -2.085) 4.616 14.895 ( 9.696 0.867 3.886) 10.482 15.356 ( -14.016 6.037 -2.567) 15.475 16.439 ( 2.918 6.687 9.528) 12.000 16.794 ( 2.045 -12.323 -1.504) 12.581 17.276 ( 5.722 -1.008 -3.950) 7.026 17.672 ( -11.280 1.572 6.776) 13.252 17.864 ( 1.565 1.160 -6.447) 6.735 18.344 ( 9.125 -5.502 -4.207) 11.456 19.041 ( 1.135 -0.434 1.652) 2.051 19.421 ( -5.873 3.126 -1.220) 6.764 19.486 ( -0.788 8.335 1.314) 8.475 20.142 ( 1.761 -4.758 -2.108) 5.494 21.027 ( -1.548 1.384 2.213) 3.035 21.065 ( 2.115 -0.364 0.658) 2.245 ======================= Grid point 30 (24/90) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( -10.841 -2.316 1.249) 11.156 2.038 ( -17.879 -3.631 2.728) 18.447 2.613 ( -1.029 3.428 1.390) 3.839 2.696 ( 3.905 1.460 -1.649) 4.483 2.841 ( -2.676 1.028 -0.540) 2.917 2.897 ( -0.807 -0.796 -3.417) 3.600 3.139 ( 1.042 4.249 -0.281) 4.384 3.343 ( 2.122 -4.447 -6.088) 7.832 3.492 ( 0.455 -2.183 -1.150) 2.510 3.771 ( 3.288 1.048 0.154) 3.454 3.875 ( -0.637 4.028 2.697) 4.889 3.998 ( 1.112 0.150 8.350) 8.425 4.161 ( -20.071 -1.778 -1.701) 20.222 4.317 ( 10.895 -2.765 -0.071) 11.241 4.939 ( 5.477 1.182 -2.531) 6.149 5.189 ( -1.365 3.240 1.133) 3.694 5.404 ( 0.366 1.804 0.795) 2.005 5.571 ( -1.609 -1.969 5.653) 6.198 5.700 ( 1.210 -4.818 -2.822) 5.713 5.953 ( -0.154 1.062 -1.433) 1.790 6.316 ( 6.617 0.780 0.717) 6.702 6.579 ( 0.328 2.134 -0.190) 2.168 6.915 ( 8.453 -4.200 -0.605) 9.459 7.360 ( 0.952 1.428 -0.736) 1.868 8.795 ( -2.219 2.375 -4.165) 5.283 9.033 ( -3.783 -1.124 -3.572) 5.323 9.503 ( -14.402 -0.952 12.706) 19.230 10.413 ( 4.541 -1.951 -4.931) 6.982 10.515 ( 4.918 2.980 2.956) 6.465 10.672 ( 1.956 0.481 -4.643) 5.061 10.755 ( 0.191 -2.211 -3.583) 4.214 10.838 ( 3.791 4.144 1.008) 5.706 11.144 ( 7.138 -4.141 3.890) 9.124 11.683 ( -2.217 -4.515 4.616) 6.827 11.780 ( -1.326 5.457 -5.873) 8.125 12.216 ( 5.685 -3.519 8.385) 10.724 12.458 ( 6.163 8.656 -5.026) 11.754 12.624 ( -9.449 -5.123 0.815) 10.779 12.883 ( -0.438 -2.822 0.267) 2.869 13.034 ( 1.986 5.535 -5.222) 7.864 13.313 ( -1.574 -1.971 0.401) 2.554 13.829 ( -8.828 -2.297 3.701) 9.844 14.309 ( 6.020 -1.132 0.328) 6.135 15.034 ( 7.293 -0.812 -6.273) 9.654 15.233 ( -11.375 7.442 7.555) 15.551 16.511 ( -1.310 -4.662 -4.161) 6.385 16.831 ( 8.846 -0.901 5.167) 10.284 17.176 ( -3.079 0.081 -10.091) 10.551 17.672 ( -2.609 -0.389 5.624) 6.212 17.888 ( 0.867 5.793 2.569) 6.396 18.384 ( 8.884 -4.716 -2.033) 10.261 18.986 ( -3.883 -0.761 -4.241) 5.800 19.406 ( -4.599 -0.086 6.081) 7.625 19.601 ( 4.420 4.284 4.270) 7.492 20.078 ( -0.299 -2.577 -4.694) 5.363 20.975 ( -2.956 -0.186 -2.646) 3.971 21.127 ( 2.198 0.295 0.967) 2.419 ======================= Grid point 31 (25/90) ======================= q-point: (-0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -14.533 7.936 10.154) 19.424 1.841 ( -19.529 -0.214 7.527) 20.931 2.545 ( -8.476 -2.335 -1.008) 8.849 2.718 ( 1.677 -1.754 -4.514) 5.125 2.790 ( 1.369 2.032 -0.875) 2.602 2.876 ( 2.368 1.115 -2.636) 3.715 3.169 ( -0.399 -3.124 0.413) 3.176 3.214 ( 2.509 -0.922 -7.756) 8.204 3.520 ( 1.253 3.056 -0.574) 3.353 3.707 ( -14.741 -2.511 0.155) 14.954 3.852 ( -4.056 3.987 -5.183) 7.695 3.996 ( 0.812 0.477 2.759) 2.915 4.132 ( 4.207 -4.373 5.094) 7.922 4.571 ( 12.707 4.745 9.910) 16.799 4.917 ( 3.653 -2.090 -8.643) 9.613 5.208 ( -1.565 2.859 -0.766) 3.348 5.357 ( 0.573 -3.788 -4.219) 5.699 5.578 ( -1.301 -6.525 3.861) 7.693 5.731 ( 0.696 2.354 4.419) 5.055 5.938 ( -0.091 1.310 -1.562) 2.040 6.366 ( 0.367 1.852 -1.855) 2.647 6.632 ( 5.020 -1.376 0.753) 5.259 7.033 ( 9.573 0.021 3.303) 10.127 7.378 ( 1.549 2.282 -1.053) 2.952 8.684 ( -5.128 6.197 -9.475) 12.429 8.906 ( -5.257 0.185 -3.783) 6.480 9.452 ( -14.152 -0.893 8.024) 16.293 10.425 ( 5.316 -1.238 -0.981) 5.545 10.620 ( 1.327 3.085 -3.924) 5.165 10.675 ( 4.970 -0.139 -0.516) 4.999 10.734 ( 4.086 -3.075 4.779) 7.000 10.978 ( 8.046 10.537 -0.211) 13.260 11.253 ( 3.821 -5.965 5.808) 9.160 11.706 ( -0.114 -5.949 5.918) 8.392 11.749 ( 3.412 2.071 -5.130) 6.500 12.393 ( 7.261 -2.214 5.671) 9.476 12.420 ( -11.785 -5.306 -2.020) 13.081 12.555 ( 3.860 9.023 -0.919) 9.857 12.785 ( -1.908 -9.172 -1.714) 9.524 13.044 ( 2.649 6.695 -4.408) 8.442 13.282 ( -6.071 4.876 -0.871) 7.835 13.775 ( -7.455 -7.230 8.812) 13.620 14.418 ( 7.747 0.655 1.863) 7.995 14.880 ( -13.618 2.958 -5.466) 14.969 15.389 ( 8.337 1.760 6.852) 10.934 16.346 ( -0.566 -7.128 -9.020) 11.511 16.984 ( -2.584 0.255 -10.769) 11.077 16.992 ( 7.723 0.090 -0.782) 7.763 17.774 ( 0.648 2.123 11.209) 11.426 18.013 ( 0.307 11.439 4.016) 12.127 18.426 ( 4.838 -7.280 0.806) 8.778 18.867 ( -2.735 -0.175 -5.027) 5.725 19.438 ( -6.015 1.221 7.908) 10.010 19.743 ( 6.377 -9.101 4.320) 11.923 19.967 ( -1.739 2.855 -7.042) 7.795 20.897 ( -2.398 1.421 -3.594) 4.548 21.149 ( 1.204 0.051 -0.894) 1.501 ======================= Grid point 32 (26/90) ======================= q-point: (-0.12 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -13.604 12.405 16.387) 24.647 1.750 ( -18.306 4.465 12.750) 22.751 2.404 ( -10.567 -4.357 4.252) 12.196 2.632 ( 3.682 -2.170 -7.822) 8.913 2.786 ( -1.494 -2.652 -0.014) 3.044 2.930 ( 6.031 3.933 -1.867) 7.438 3.121 ( 2.491 -4.975 -1.053) 5.663 3.222 ( 3.155 4.444 -2.056) 5.825 3.409 ( -11.339 1.132 -4.727) 12.337 3.581 ( -5.261 0.416 0.153) 5.279 3.748 ( -3.715 3.415 -3.382) 6.075 4.107 ( 8.343 -0.530 -0.354) 8.367 4.219 ( 2.413 -3.291 6.536) 7.706 4.720 ( 3.760 -8.788 -12.051) 15.382 4.910 ( 6.069 5.923 1.342) 8.585 5.154 ( 0.333 -4.033 0.703) 4.107 5.324 ( -0.049 2.190 -0.957) 2.391 5.558 ( -0.892 -4.847 0.851) 5.001 5.810 ( -1.799 1.861 4.468) 5.164 5.943 ( 1.265 1.871 -0.135) 2.263 6.342 ( -3.344 4.077 -0.825) 5.337 6.665 ( 5.650 -5.491 -2.228) 8.188 7.229 ( 7.969 2.380 4.602) 9.505 7.401 ( 1.308 2.079 -1.032) 2.664 8.530 ( -3.649 5.036 -8.769) 10.750 8.821 ( -3.017 1.884 -1.631) 3.913 9.362 ( -12.027 -0.395 5.949) 13.424 10.472 ( 6.582 -2.959 -3.475) 8.009 10.571 ( 0.288 0.693 -1.669) 1.830 10.771 ( 4.491 0.478 3.129) 5.494 10.875 ( 6.742 -0.091 4.762) 8.255 11.170 ( 6.696 8.332 -0.836) 10.722 11.291 ( -1.819 -1.284 3.241) 3.932 11.723 ( -0.367 -9.930 4.051) 10.731 11.748 ( 6.814 -2.284 -4.430) 8.442 12.210 ( -8.875 -2.612 -1.060) 9.311 12.447 ( 3.025 -1.083 -5.946) 6.759 12.629 ( -0.344 4.123 0.616) 4.183 12.841 ( 8.383 -3.979 10.775) 14.220 13.049 ( 0.721 0.066 -2.663) 2.760 13.215 ( -7.133 11.623 -4.037) 14.222 13.753 ( -6.482 -7.644 9.225) 13.622 14.539 ( 4.302 1.068 1.424) 4.656 14.624 ( -18.234 1.210 -1.797) 18.362 15.613 ( 14.364 -1.273 3.147) 14.759 16.168 ( -1.969 0.983 -10.398) 10.628 16.838 ( 2.107 -5.722 -6.831) 9.157 17.004 ( 2.015 -0.015 -4.981) 5.373 18.016 ( 4.698 2.601 12.548) 13.649 18.157 ( -2.847 18.871 2.560) 19.256 18.427 ( 1.476 -12.253 5.216) 13.399 18.788 ( -0.381 2.683 -4.186) 4.986 19.436 ( -12.415 -4.990 3.093) 13.733 19.645 ( 5.917 -9.927 -6.498) 13.258 20.010 ( 3.382 3.324 3.457) 5.868 20.839 ( -2.071 4.308 -4.125) 6.314 21.146 ( 0.599 -0.083 -0.889) 1.075 ======================= Grid point 35 (27/90) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 7.050 -12.098 -10.866) 17.724 2.134 ( 8.829 -2.737 -6.561) 11.336 2.298 ( -9.077 1.685 11.279) 14.575 2.420 ( 3.762 8.631 10.601) 14.179 2.775 ( 2.143 4.350 -6.519) 8.125 2.851 ( -4.298 -1.580 2.750) 5.342 3.094 ( -3.113 1.898 -3.891) 5.332 3.172 ( -2.004 -1.504 0.437) 2.544 3.518 ( 8.246 -3.561 8.329) 12.249 3.797 ( -0.399 -0.088 -3.771) 3.793 3.814 ( 12.643 0.538 -1.090) 12.701 4.006 ( 1.131 -4.408 -0.608) 4.592 4.240 ( -2.571 5.033 0.583) 5.681 4.424 ( -1.024 5.135 8.525) 10.005 4.840 ( -6.714 -4.833 4.202) 9.279 5.188 ( -1.776 2.129 -8.937) 9.357 5.321 ( -2.583 -0.855 -0.092) 2.723 5.528 ( 0.448 5.937 0.999) 6.037 5.875 ( -0.999 -2.016 -0.063) 2.251 5.945 ( 1.355 -0.988 -1.777) 2.443 6.381 ( 0.063 -4.478 1.592) 4.753 6.567 ( -1.595 4.379 -0.923) 4.751 7.236 ( -5.750 -3.634 -5.668) 8.854 7.393 ( -0.976 -1.290 -0.087) 1.620 8.503 ( 4.502 -4.254 7.608) 9.810 8.841 ( 2.818 -1.676 2.947) 4.409 9.489 ( 3.312 0.728 2.670) 4.316 10.399 ( 3.041 1.116 -0.413) 3.266 10.577 ( 1.857 -3.601 1.226) 4.232 10.751 ( -6.704 -3.320 -2.543) 7.901 10.852 ( -5.660 -1.474 -3.824) 6.988 11.203 ( -0.756 0.743 -2.102) 2.354 11.271 ( -8.287 -6.755 -2.558) 10.993 11.657 ( 2.545 2.987 2.496) 4.651 11.749 ( 4.607 6.383 -4.147) 8.898 12.287 ( 1.908 3.140 0.381) 3.694 12.322 ( 3.028 3.011 3.604) 5.588 12.687 ( 3.075 -3.419 0.701) 4.652 12.823 ( -11.488 3.326 -10.350) 15.817 12.983 ( -3.335 -1.298 3.030) 4.689 13.339 ( 8.782 -8.832 4.654) 13.296 13.863 ( 3.791 6.412 -3.613) 8.279 14.505 ( -5.904 -1.532 -2.447) 6.572 14.662 ( -0.903 6.708 6.251) 9.213 15.652 ( 6.776 -1.347 -7.892) 10.489 16.070 ( -1.159 -0.908 5.614) 5.804 16.674 ( -0.521 4.432 3.910) 5.933 16.971 ( 0.249 -6.087 4.566) 7.614 18.169 ( 0.503 -5.332 -9.332) 10.759 18.296 ( -9.049 13.298 -1.469) 16.152 18.360 ( 0.545 -16.809 -2.655) 17.026 18.767 ( -2.012 -2.468 0.539) 3.230 19.338 ( 0.142 17.040 10.867) 20.211 19.665 ( 9.128 1.699 -6.696) 11.447 20.043 ( -2.081 -4.183 -2.149) 5.143 20.821 ( -0.519 -1.220 3.484) 3.728 21.132 ( -0.518 -0.262 0.032) 0.581 ======================= Grid point 36 (28/90) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 8.326 -11.987 -11.314) 18.466 2.158 ( 11.849 -0.786 -6.256) 13.422 2.408 ( -5.435 4.863 14.821) 16.518 2.627 ( -0.587 -1.092 7.392) 7.496 2.760 ( -0.619 5.494 -0.724) 5.576 2.837 ( 0.341 -0.656 -1.025) 1.264 3.046 ( -0.104 4.609 2.922) 5.458 3.199 ( 2.086 1.880 0.892) 2.947 3.585 ( -0.998 -9.156 -3.229) 9.760 3.756 ( -3.197 2.381 2.141) 4.525 3.945 ( 5.978 -2.700 0.760) 6.603 4.097 ( 15.672 -0.941 0.784) 15.720 4.170 ( 0.794 2.392 -6.703) 7.162 4.580 ( -9.187 -0.910 -3.701) 9.947 4.688 ( -4.583 -1.972 10.434) 11.565 5.164 ( -1.605 5.630 2.220) 6.261 5.281 ( -3.266 3.666 -1.313) 5.082 5.560 ( -1.961 4.868 0.437) 5.266 5.826 ( 0.485 -2.364 -4.266) 4.901 5.942 ( 2.211 -1.927 -0.313) 2.949 6.365 ( -0.042 -5.344 0.388) 5.358 6.555 ( -3.949 4.750 -0.131) 6.178 7.021 ( -6.489 -4.295 -7.178) 10.587 7.367 ( -1.085 -1.867 0.320) 2.183 8.665 ( 5.607 -6.940 10.732) 13.956 8.924 ( 4.038 -2.392 4.436) 6.458 9.596 ( 3.709 0.875 4.563) 5.945 10.406 ( 2.683 1.537 -6.483) 7.183 10.598 ( -2.768 -2.415 1.860) 4.118 10.605 ( -3.852 -6.738 1.769) 7.961 10.741 ( -1.837 1.711 -3.629) 4.413 11.007 ( -4.689 -8.821 -5.998) 11.652 11.207 ( -5.452 4.988 -2.016) 7.660 11.723 ( 3.264 3.369 -2.265) 5.209 11.766 ( 3.161 -0.090 -2.595) 4.091 12.306 ( -4.796 3.968 1.033) 6.310 12.478 ( 0.690 4.922 1.600) 5.221 12.567 ( -2.249 0.064 -6.706) 7.073 12.749 ( 3.679 2.620 1.866) 4.887 12.971 ( -4.065 -2.985 4.507) 6.764 13.404 ( 5.475 -9.220 1.111) 10.780 13.917 ( 5.985 6.999 -5.841) 10.905 14.366 ( -6.187 -1.486 -3.176) 7.111 14.788 ( -4.148 5.330 8.430) 10.801 15.587 ( 6.337 -2.784 -10.946) 12.951 16.173 ( 0.038 2.865 9.470) 9.894 16.794 ( 0.719 6.074 5.124) 7.980 16.993 ( 1.251 -9.539 6.444) 11.580 17.970 ( 0.021 -4.848 -11.707) 12.671 18.161 ( -4.421 -5.514 -6.640) 9.697 18.263 ( -6.428 1.656 1.474) 6.800 18.831 ( 2.932 1.427 5.113) 6.065 19.503 ( -3.953 8.010 4.289) 9.909 19.681 ( 1.539 11.686 -12.405) 17.112 19.998 ( 4.720 -9.773 3.432) 11.383 20.875 ( 1.159 -0.310 4.703) 4.853 21.122 ( -1.250 -0.175 0.414) 1.329 ======================= Grid point 37 (29/90) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 4.695 -7.325 -7.833) 11.707 2.263 ( 12.071 2.991 -3.608) 12.949 2.588 ( -3.935 2.262 7.722) 8.957 2.619 ( -5.158 -2.452 6.013) 8.293 2.759 ( 2.210 -0.909 1.747) 2.960 2.881 ( 1.352 3.437 2.440) 4.426 3.213 ( 3.082 3.395 3.140) 5.558 3.250 ( 3.983 1.196 -2.922) 5.082 3.420 ( -4.615 -2.374 1.959) 5.548 3.728 ( -4.053 1.561 -0.898) 4.436 3.986 ( 2.936 -4.409 -2.302) 5.776 4.075 ( 0.073 -3.104 -3.249) 4.494 4.204 ( -8.072 -3.903 -6.094) 10.841 4.450 ( 17.425 1.965 -2.046) 17.654 4.780 ( -7.118 0.439 6.364) 9.558 5.202 ( -1.533 1.519 -0.051) 2.159 5.313 ( -2.648 7.459 7.212) 10.708 5.588 ( -1.778 5.353 1.665) 5.881 5.743 ( 2.613 -4.648 -6.729) 8.586 5.954 ( 1.225 -0.873 -0.011) 1.504 6.280 ( -4.032 -3.837 -2.824) 6.241 6.556 ( -1.267 1.803 1.638) 2.745 6.850 ( -3.358 -1.685 -4.167) 5.610 7.351 ( -0.475 -1.197 0.584) 1.414 8.792 ( 2.686 -5.782 5.798) 8.618 9.026 ( 3.522 -1.896 4.806) 6.253 9.703 ( 1.578 0.418 4.399) 4.693 10.336 ( 1.379 0.754 -7.231) 7.400 10.491 ( -5.279 -2.468 -0.106) 5.828 10.617 ( -0.054 -0.621 2.117) 2.207 10.746 ( 3.204 0.061 0.918) 3.334 10.853 ( -2.170 -4.770 -2.951) 6.014 11.103 ( -6.062 2.929 -5.183) 8.497 11.733 ( 1.306 3.497 -3.488) 5.108 11.812 ( 6.596 -4.524 2.509) 8.382 12.216 ( -6.511 8.178 -10.160) 14.577 12.349 ( -8.167 -5.567 4.535) 10.874 12.698 ( 7.938 7.291 -0.106) 10.779 12.855 ( 1.291 1.900 3.218) 3.953 12.963 ( -2.701 -2.545 5.291) 6.463 13.377 ( 1.724 -5.853 -3.022) 6.809 13.956 ( 4.829 2.584 -4.086) 6.833 14.260 ( -2.992 -0.268 -1.919) 3.565 14.848 ( -5.304 2.083 5.508) 7.925 15.506 ( 4.302 -2.859 -6.858) 8.586 16.366 ( 1.710 7.791 9.955) 12.756 16.807 ( -3.723 -4.184 -1.930) 5.924 17.097 ( 5.197 -2.391 7.391) 9.346 17.818 ( 2.323 -4.071 -7.157) 8.555 17.994 ( -4.940 -0.624 -4.674) 6.829 18.203 ( -4.738 -0.009 0.301) 4.748 18.963 ( 3.755 0.967 5.213) 6.497 19.507 ( -0.796 3.426 -7.189) 8.004 19.586 ( -5.210 6.053 -1.691) 8.164 20.058 ( 4.190 -4.840 2.277) 6.795 20.969 ( 3.095 0.651 3.928) 5.043 21.103 ( -2.226 -0.019 0.032) 2.226 ======================= Grid point 38 (30/90) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 0.000 0.000 0.000) 0.000 2.359 ( 0.000 -0.000 0.000) 0.000 2.543 ( 0.000 -0.000 0.000) 0.000 2.630 ( 0.000 0.000 -0.000) 0.000 2.897 ( -0.000 -0.000 -0.000) 0.000 2.924 ( 0.000 0.000 0.000) 0.000 3.109 ( 0.000 0.000 0.000) 0.000 3.274 ( 0.000 -0.000 -0.000) 0.000 3.561 ( 0.000 -0.000 -0.000) 0.000 3.667 ( 0.000 -0.000 0.000) 0.000 3.875 ( 0.000 0.000 0.000) 0.000 4.032 ( 0.000 0.000 0.000) 0.000 4.113 ( 0.000 -0.000 -0.000) 0.000 4.647 ( -0.000 -0.000 0.000) 0.000 4.709 ( 0.000 0.000 -0.000) 0.000 5.191 ( 0.000 0.000 -0.000) 0.000 5.406 ( 0.000 -0.000 0.000) 0.000 5.628 ( 0.000 0.000 0.000) 0.000 5.665 ( 0.000 -0.000 -0.000) 0.000 5.958 ( 0.000 -0.000 -0.000) 0.000 6.201 ( 0.000 -0.000 -0.000) 0.000 6.571 ( 0.000 -0.000 -0.000) 0.000 6.793 ( 0.000 0.000 -0.000) 0.000 7.348 ( 0.000 0.000 0.000) 0.000 8.822 ( 0.000 0.000 0.000) 0.000 9.083 ( 0.000 -0.000 0.000) 0.000 9.749 ( 0.000 -0.000 0.000) 0.000 10.292 ( 0.000 0.000 -0.000) 0.000 10.442 ( 0.000 0.000 -0.000) 0.000 10.646 ( 0.000 0.000 0.000) 0.000 10.790 ( 0.000 0.000 0.000) 0.000 10.792 ( 0.000 -0.000 0.000) 0.000 11.016 ( 0.000 0.000 -0.000) 0.000 11.731 ( 0.000 0.000 0.000) 0.000 11.885 ( 0.000 -0.000 0.000) 0.000 12.095 ( 0.000 0.000 -0.000) 0.000 12.312 ( -0.000 -0.000 0.000) 0.000 12.804 ( 0.000 0.000 -0.000) 0.000 12.855 ( 0.000 0.000 0.000) 0.000 13.004 ( 0.000 -0.000 -0.000) 0.000 13.326 ( 0.000 0.000 0.000) 0.000 13.969 ( 0.000 -0.000 -0.000) 0.000 14.229 ( 0.000 -0.000 -0.000) 0.000 14.854 ( 0.000 0.000 0.000) 0.000 15.476 ( 0.000 -0.000 0.000) 0.000 16.541 ( 0.000 0.000 0.000) 0.000 16.683 ( 0.000 0.000 -0.000) 0.000 17.191 ( 0.000 0.000 0.000) 0.000 17.769 ( 0.000 -0.000 -0.000) 0.000 17.920 ( 0.000 -0.000 -0.000) 0.000 18.170 ( 0.000 0.000 0.000) 0.000 19.042 ( 0.000 -0.000 0.000) 0.000 19.432 ( 0.000 0.000 -0.000) 0.000 19.577 ( 0.000 -0.000 0.000) 0.000 20.082 ( 0.000 0.000 0.000) 0.000 21.049 ( 0.000 0.000 0.000) 0.000 21.062 ( -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: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -0.000 0.000 27.880) 27.880 1.236 ( 0.000 0.000 27.880) 27.880 2.191 ( -0.000 0.000 44.853) 44.853 2.738 ( -0.000 0.000 2.795) 2.795 2.738 ( 0.000 0.000 2.795) 2.795 2.885 ( 0.000 -0.000 -4.554) 4.554 3.137 ( 0.000 -0.000 -12.010) 12.010 3.137 ( 0.000 -0.000 -12.010) 12.010 3.345 ( 0.000 -0.000 -8.291) 8.291 3.838 ( -0.000 0.000 9.937) 9.937 3.897 ( 0.000 0.000 0.273) 0.273 3.897 ( 0.000 -0.000 0.273) 0.273 4.528 ( 0.000 -0.000 -8.558) 8.558 4.757 ( -0.000 -0.000 -3.836) 3.836 4.757 ( 0.000 -0.000 -3.836) 3.836 5.214 ( 0.000 0.000 -0.507) 0.507 5.214 ( 0.000 -0.000 -0.507) 0.507 5.586 ( 0.000 -0.000 -14.788) 14.788 5.924 ( -0.000 0.000 12.555) 12.555 5.953 ( -0.000 0.000 3.294) 3.294 5.953 ( 0.000 0.000 3.294) 3.294 7.001 ( 0.000 -0.000 -7.760) 7.760 7.336 ( 0.000 -0.000 -3.840) 3.840 7.336 ( 0.000 -0.000 -3.840) 3.840 8.660 ( -0.000 0.000 5.440) 5.440 8.660 ( 0.000 -0.000 5.440) 5.440 9.366 ( -0.000 0.000 5.461) 5.461 10.647 ( 0.000 -0.000 -5.013) 5.013 10.647 ( 0.000 -0.000 -5.013) 5.013 10.999 ( 0.000 -0.000 -1.873) 1.873 11.009 ( 0.000 -0.000 -0.872) 0.872 11.009 ( 0.000 -0.000 -0.872) 0.872 11.681 ( -0.000 0.000 -2.906) 2.906 11.681 ( 0.000 -0.000 -2.906) 2.906 12.199 ( 0.000 0.000 0.565) 0.565 12.199 ( 0.000 -0.000 0.565) 0.565 12.329 ( 0.000 -0.000 -13.250) 13.250 12.562 ( 0.000 -0.000 -10.320) 10.320 12.997 ( -0.000 0.000 1.663) 1.663 12.997 ( 0.000 -0.000 1.663) 1.663 13.332 ( -0.000 0.000 6.560) 6.560 13.780 ( -0.000 0.000 13.388) 13.388 13.780 ( 0.000 0.000 13.388) 13.388 14.613 ( 0.000 -0.000 -5.657) 5.657 15.108 ( 0.000 -0.000 -4.825) 4.825 16.857 ( -0.000 0.000 7.578) 7.578 17.068 ( -0.000 0.000 6.331) 6.331 17.200 ( 0.000 0.000 -9.637) 9.637 17.200 ( -0.000 -0.000 -9.637) 9.637 18.514 ( 0.000 0.000 12.326) 12.326 18.514 ( 0.000 0.000 12.326) 12.326 18.864 ( -0.000 0.000 -12.007) 12.007 18.864 ( 0.000 -0.000 -12.007) 12.007 20.007 ( 0.000 -0.000 -11.555) 11.555 20.277 ( -0.000 -0.000 8.396) 8.396 20.277 ( 0.000 -0.000 8.396) 8.396 21.169 ( 0.000 -0.000 -0.839) 0.839 ======================= Grid point 77 (32/90) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 3.855 4.596 24.420) 25.146 1.692 ( 6.958 2.601 24.394) 25.500 2.542 ( -6.611 -1.451 2.096) 7.085 2.717 ( 0.116 -8.087 -1.066) 8.158 2.818 ( -2.267 5.593 6.437) 8.823 2.935 ( -2.783 0.025 -10.235) 10.606 2.978 ( 6.813 -1.430 1.191) 7.062 3.073 ( 4.906 5.411 -1.020) 7.375 3.300 ( -0.030 0.056 13.585) 13.585 3.761 ( -6.280 -5.807 -0.626) 8.577 3.853 ( -6.148 -3.517 7.425) 10.262 4.129 ( 9.218 6.321 3.325) 11.661 4.344 ( -6.072 -4.215 -7.465) 10.505 4.644 ( -3.903 -1.981 -6.014) 7.438 4.753 ( 2.780 3.668 -6.160) 7.689 5.165 ( -0.812 0.573 -2.588) 2.772 5.265 ( 5.155 -2.495 -2.070) 6.090 5.384 ( 1.664 4.429 -12.602) 13.460 5.899 ( -6.235 -1.198 4.670) 7.882 6.030 ( 2.578 -1.270 2.249) 3.649 6.158 ( 5.589 3.448 6.780) 9.439 6.823 ( -6.347 -3.258 -8.728) 11.273 7.278 ( 1.151 0.990 -4.440) 4.692 7.316 ( 2.335 0.423 -3.266) 4.037 8.674 ( -5.537 -2.802 9.159) 11.064 8.810 ( 2.342 0.692 6.243) 6.703 9.421 ( -2.207 -1.424 7.283) 7.743 10.547 ( 0.659 -4.173 -4.729) 6.341 10.636 ( 2.241 5.580 -5.926) 8.443 10.876 ( -6.922 -3.482 -0.173) 7.750 11.000 ( 1.451 -1.826 -3.494) 4.201 11.020 ( -0.659 4.637 -2.223) 5.185 11.570 ( 1.796 -14.728 -1.257) 14.890 11.616 ( -10.566 8.884 -5.117) 14.722 12.119 ( -12.477 1.295 4.085) 13.192 12.177 ( 4.025 -0.241 -11.158) 11.864 12.244 ( 5.636 -3.888 -0.059) 6.847 12.460 ( 6.470 2.878 -11.779) 13.744 12.902 ( -6.281 -3.359 3.511) 7.940 13.048 ( -0.725 1.707 0.228) 1.869 13.556 ( 11.871 5.810 2.632) 13.476 13.747 ( -11.201 -9.580 12.246) 19.162 14.110 ( 3.747 7.786 13.682) 16.182 14.544 ( 2.089 1.136 -6.415) 6.841 15.198 ( 16.914 6.065 -7.001) 19.284 16.674 ( -16.777 -19.150 3.031) 25.639 16.975 ( -13.859 9.776 -5.530) 17.839 17.106 ( -5.025 -1.033 7.242) 8.875 17.450 ( 25.608 4.347 -2.216) 26.068 18.551 ( -3.573 -3.269 -13.608) 14.444 18.662 ( -2.615 3.004 11.049) 11.745 18.742 ( 6.366 -1.595 -0.392) 6.575 18.785 ( -0.396 4.487 0.453) 4.528 19.830 ( 0.869 -3.000 -12.668) 13.047 20.275 ( -8.174 -0.968 6.714) 10.622 20.532 ( 9.140 3.484 7.574) 12.371 21.150 ( -0.300 -0.197 -1.248) 1.298 ======================= Grid point 78 (33/90) ======================= q-point: ( 0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 6.970 6.163 19.486) 21.593 2.112 ( 6.511 4.042 18.130) 19.684 2.355 ( -9.878 -3.948 -5.716) 12.076 2.520 ( -9.273 -9.817 -6.862) 15.148 2.767 ( -2.288 -3.521 -7.390) 8.500 2.854 ( 0.468 3.999 -0.385) 4.044 3.006 ( 2.737 2.744 -2.129) 4.422 3.149 ( 2.865 3.824 -0.736) 4.834 3.615 ( -1.496 -3.498 9.547) 10.277 3.817 ( 4.381 -3.920 17.189) 18.166 3.834 ( -5.543 0.700 6.900) 8.878 4.118 ( -3.154 -6.765 -4.381) 8.655 4.248 ( -1.520 4.508 -4.331) 6.434 4.443 ( -6.903 -4.632 -4.763) 9.581 4.794 ( 4.661 4.448 2.392) 6.872 5.088 ( 2.286 0.224 -10.662) 10.907 5.235 ( 5.226 1.657 -5.078) 7.473 5.429 ( 5.078 5.078 -0.037) 7.181 5.877 ( -2.203 -1.737 0.924) 2.954 6.040 ( -2.562 0.086 -0.079) 2.565 6.317 ( 5.396 0.232 3.832) 6.622 6.604 ( -5.279 -1.735 -6.906) 8.864 7.238 ( 1.001 3.407 -6.064) 7.027 7.319 ( 4.129 -0.638 -2.322) 4.780 8.719 ( -8.369 -2.010 13.027) 15.614 8.893 ( -1.196 -2.921 6.020) 6.798 9.491 ( -0.176 -2.066 5.436) 5.818 10.436 ( -1.003 -5.201 -4.869) 7.194 10.640 ( 2.238 3.931 -3.821) 5.921 10.774 ( -5.209 -0.363 -0.594) 5.256 10.905 ( -3.724 2.849 -6.156) 7.738 11.058 ( 6.032 2.128 -2.369) 6.821 11.385 ( -3.247 -5.050 -6.950) 9.184 11.571 ( -0.424 3.848 -1.306) 4.085 11.948 ( -11.420 -6.464 -0.690) 13.141 12.173 ( 4.305 3.560 -1.098) 5.693 12.277 ( 1.638 -5.293 1.146) 5.658 12.474 ( 11.224 5.367 -7.510) 14.532 12.885 ( -2.782 -0.195 3.361) 4.367 13.025 ( -2.856 1.346 -0.785) 3.253 13.673 ( -12.117 -4.266 8.221) 15.252 13.721 ( 6.528 -2.085 -0.892) 6.911 14.364 ( 5.523 8.518 2.711) 10.508 14.542 ( 3.101 2.724 1.924) 4.553 15.367 ( 17.700 1.004 -7.903) 19.410 16.372 ( -15.048 -14.717 5.306) 21.707 16.821 ( -13.047 9.152 -0.868) 15.961 17.128 ( -5.966 -2.251 8.137) 10.337 17.774 ( 22.586 1.065 -0.716) 22.622 18.275 ( -3.160 -3.361 -14.444) 15.163 18.638 ( -1.349 7.924 -13.007) 15.290 18.807 ( -4.884 6.649 9.972) 12.942 19.001 ( 9.473 -5.068 11.949) 16.068 19.643 ( 1.627 -4.819 -11.922) 12.962 20.234 ( -8.785 -0.374 4.390) 9.828 20.752 ( 5.497 2.810 6.483) 8.952 21.128 ( 0.115 -0.129 -1.358) 1.369 ======================= Grid point 79 (34/90) ======================= q-point: (-0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( -14.735 -6.980 -11.213) 19.788 2.134 ( -15.780 -6.796 -7.128) 18.601 2.410 ( 1.443 0.985 8.429) 8.608 2.494 ( 6.169 -2.169 15.538) 16.858 2.659 ( 3.381 0.827 -1.574) 3.820 2.918 ( 2.277 5.468 0.320) 5.931 3.037 ( 0.793 1.884 0.339) 2.073 3.226 ( 1.639 6.461 3.447) 7.504 3.639 ( -3.085 -7.736 0.901) 8.377 3.714 ( -6.419 -7.644 -1.278) 10.063 3.861 ( -4.012 -1.464 0.172) 4.274 4.074 ( -6.346 -2.241 1.324) 6.859 4.156 ( 0.745 1.670 -9.046) 9.229 4.509 ( 5.523 1.401 14.977) 16.025 4.949 ( 1.020 5.626 3.973) 6.962 4.982 ( 6.437 -4.425 -7.028) 10.507 5.281 ( 5.647 3.447 -2.456) 7.057 5.507 ( 1.924 3.565 -0.407) 4.071 5.820 ( -1.213 -2.873 -2.803) 4.193 6.001 ( -2.934 1.420 -0.189) 3.265 6.419 ( 5.099 -2.018 2.360) 5.970 6.497 ( -0.660 2.316 -3.362) 4.136 7.194 ( 1.369 5.407 -6.933) 8.898 7.346 ( 4.374 -0.431 -1.424) 4.620 8.776 ( -10.684 -0.758 14.316) 17.879 8.906 ( -3.265 -3.574 3.845) 6.182 9.469 ( -2.384 -8.041 -2.510) 8.754 10.373 ( 1.474 0.787 -0.054) 1.672 10.619 ( -2.837 -4.410 0.662) 5.285 10.715 ( 1.838 4.817 -6.366) 8.192 10.821 ( -0.544 4.563 -5.144) 6.898 11.112 ( 7.424 -2.362 -3.741) 8.643 11.298 ( 1.397 7.562 -4.823) 9.077 11.600 ( 2.809 3.153 -1.076) 4.358 11.762 ( -8.703 -6.714 2.294) 11.229 12.205 ( 1.395 -7.829 0.284) 7.957 12.323 ( 6.371 6.494 -0.291) 9.102 12.567 ( 6.159 0.901 -1.180) 6.336 12.869 ( -5.975 3.751 -0.118) 7.056 13.023 ( 1.301 0.127 2.005) 2.394 13.571 ( -13.397 -4.721 6.984) 15.829 13.699 ( 2.018 -3.298 -6.873) 7.886 14.444 ( 5.374 4.594 -4.869) 8.584 14.706 ( 1.899 2.508 7.542) 8.172 15.405 ( 10.031 -4.564 -9.448) 14.516 16.272 ( -6.621 -1.324 9.641) 11.770 16.770 ( -6.092 5.285 4.809) 9.390 17.138 ( -6.409 -2.813 7.680) 10.391 18.002 ( 9.647 -1.214 -9.237) 13.411 18.045 ( 7.966 -2.670 -8.177) 11.724 18.492 ( -5.598 8.657 -10.263) 14.547 18.902 ( -6.329 5.966 7.553) 11.520 19.235 ( 10.195 -9.745 7.924) 16.177 19.501 ( 3.155 -0.970 -6.734) 7.499 20.168 ( -8.292 0.681 2.475) 8.680 20.887 ( 0.805 2.130 3.941) 4.552 21.123 ( 1.245 0.022 -0.357) 1.295 ======================= Grid point 80 (35/90) ======================= q-point: (-0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -19.572 -10.647 -11.915) 25.266 1.734 ( -20.064 -9.187 -7.009) 23.153 2.364 ( -8.482 -7.580 0.721) 11.398 2.691 ( 1.582 0.352 4.594) 4.871 2.792 ( 1.794 -1.430 5.611) 6.062 2.989 ( 4.139 4.596 -0.563) 6.211 3.046 ( 1.075 0.108 -1.748) 2.055 3.346 ( -4.344 3.768 3.257) 6.608 3.499 ( -3.792 -4.512 4.685) 7.529 3.614 ( -1.979 0.910 2.176) 3.079 3.865 ( -3.678 -2.615 6.974) 8.307 4.021 ( 2.261 -1.824 -11.692) 12.047 4.100 ( 6.420 3.802 1.156) 7.550 4.697 ( 6.083 3.780 -4.311) 8.359 4.943 ( -0.929 2.748 0.030) 2.901 5.080 ( 6.207 -8.512 7.242) 12.784 5.352 ( 2.966 3.781 0.279) 4.813 5.555 ( 0.076 5.345 1.338) 5.510 5.749 ( -0.496 -2.241 -3.399) 4.101 5.964 ( -1.769 0.294 -1.741) 2.499 6.413 ( -5.415 -1.649 0.160) 5.663 6.586 ( 10.695 2.586 1.672) 11.129 7.181 ( 3.486 7.061 -5.777) 9.766 7.381 ( 3.730 -0.172 -1.306) 3.955 8.787 ( -7.691 -0.557 3.208) 8.352 8.884 ( -8.023 -2.662 9.005) 12.351 9.250 ( -6.205 -10.841 -8.659) 15.199 10.471 ( 4.503 4.473 0.823) 6.400 10.537 ( 0.853 -4.041 -1.009) 4.252 10.747 ( 4.309 4.659 -0.853) 6.404 10.805 ( 1.939 4.532 -3.744) 6.190 11.108 ( 5.757 -5.280 -5.649) 9.640 11.355 ( 2.002 10.996 -1.600) 11.291 11.618 ( -1.010 0.438 0.490) 1.205 11.765 ( 4.440 -0.364 5.403) 7.003 12.172 ( 0.459 -5.582 2.403) 6.094 12.459 ( 7.013 7.550 -2.259) 10.549 12.578 ( 0.440 -5.327 -1.300) 5.501 12.822 ( -4.838 5.342 -0.271) 7.213 13.066 ( 0.550 -1.730 1.116) 2.131 13.438 ( -10.661 -7.907 2.394) 13.487 13.591 ( -3.564 1.837 -3.391) 5.251 14.488 ( 5.741 3.425 -3.302) 7.456 14.681 ( -11.674 -12.864 2.540) 17.556 15.460 ( 15.746 8.058 -5.428) 18.502 16.360 ( -3.403 4.058 8.403) 9.933 16.897 ( 3.238 2.121 11.186) 11.837 17.122 ( -5.220 -3.608 4.447) 7.749 17.817 ( 1.842 3.762 -16.548) 17.070 18.144 ( 12.732 -7.565 -4.768) 15.558 18.348 ( -9.392 7.078 -4.340) 12.535 18.943 ( -7.376 4.715 5.658) 10.424 19.237 ( 3.918 -12.269 -4.449) 13.626 19.622 ( 8.850 2.792 6.741) 11.470 20.108 ( -6.571 1.714 2.162) 7.127 20.917 ( -1.565 1.068 0.043) 1.895 21.150 ( 1.422 0.289 0.956) 1.737 ======================= Grid point 81 (36/90) ======================= q-point: (-0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -20.843 -12.900 -5.969) 25.229 1.292 ( -24.585 -9.343 -2.631) 26.432 2.090 ( -26.288 -17.963 7.178) 32.638 2.708 ( -0.991 -1.628 1.271) 2.291 2.778 ( -4.530 -1.714 -0.458) 4.865 3.042 ( 1.604 4.075 -2.037) 4.830 3.081 ( 7.456 -0.362 -1.461) 7.606 3.333 ( -1.100 0.747 2.892) 3.183 3.585 ( 1.415 -0.026 4.564) 4.778 3.674 ( 2.355 3.638 0.750) 4.398 3.862 ( 0.468 -2.687 -9.463) 9.848 3.945 ( -0.283 1.016 5.834) 5.929 4.273 ( 9.711 6.075 0.916) 11.491 4.747 ( 10.581 8.063 -5.322) 14.328 4.926 ( -4.012 0.724 0.717) 4.140 5.191 ( 7.265 -7.180 3.042) 10.658 5.404 ( -1.231 3.004 0.222) 3.255 5.610 ( -0.792 3.301 0.745) 3.475 5.663 ( -2.365 -2.201 -2.864) 4.317 5.926 ( -0.584 -0.146 -1.282) 1.417 6.299 ( -8.515 -4.905 1.119) 9.890 6.791 ( 11.294 5.416 1.200) 12.583 7.238 ( 5.855 6.547 -2.550) 9.145 7.399 ( 3.004 -0.382 -2.311) 3.809 8.674 ( -2.760 -3.583 -5.305) 6.972 8.885 ( -11.342 -1.849 9.689) 15.031 8.961 ( -8.591 -7.855 -5.687) 12.956 10.458 ( 2.563 0.409 -2.925) 3.911 10.658 ( 4.783 3.532 2.745) 6.548 10.817 ( 5.885 4.716 -3.541) 8.331 10.885 ( 3.659 6.222 4.245) 8.374 11.027 ( 3.648 -6.291 -7.526) 10.466 11.444 ( 2.750 4.698 -1.219) 5.578 11.646 ( -0.821 6.115 3.116) 6.912 11.920 ( 7.881 -2.879 4.475) 9.510 12.246 ( 1.287 2.474 8.496) 8.942 12.462 ( -1.320 -6.509 -2.210) 6.999 12.559 ( 6.820 9.281 -9.800) 15.123 12.808 ( -4.053 2.356 1.640) 4.967 13.023 ( -0.037 -7.537 -1.509) 7.686 13.239 ( -7.474 -11.321 -1.655) 13.666 13.577 ( -9.541 9.995 6.355) 15.209 14.363 ( -17.696 -18.724 0.170) 25.764 14.561 ( 5.534 3.658 -1.420) 6.784 15.746 ( 20.840 13.139 -1.810) 24.703 16.464 ( -0.564 2.318 6.931) 7.330 16.942 ( -5.978 -6.460 -6.148) 10.736 17.237 ( 8.335 4.650 10.894) 14.484 17.679 ( 2.539 6.171 -12.678) 14.327 18.119 ( 7.115 -10.267 -6.972) 14.305 18.258 ( -11.042 4.314 5.799) 13.198 18.938 ( -9.274 3.111 5.215) 11.085 19.120 ( 2.608 -7.448 -7.077) 10.600 19.850 ( 7.206 3.010 6.097) 9.907 20.095 ( -3.352 0.203 4.946) 5.978 20.878 ( -0.842 -0.601 -3.793) 3.932 21.173 ( 0.703 0.354 -0.293) 0.840 ======================= Grid point 82 (37/90) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( -17.430 -7.937 12.424) 22.829 0.962 ( -22.669 -8.260 13.915) 27.853 1.714 ( -34.163 -22.905 24.096) 47.670 2.663 ( 0.049 -1.881 -3.014) 3.553 2.752 ( -2.948 0.068 3.805) 4.814 3.026 ( 1.344 -1.267 -3.923) 4.336 3.196 ( 8.419 6.412 -1.652) 10.711 3.380 ( 1.535 2.693 0.245) 3.109 3.542 ( -0.267 -1.787 -8.703) 8.888 3.694 ( 0.940 -1.143 -12.338) 12.427 3.793 ( 6.701 -3.511 4.745) 8.930 3.996 ( -5.635 3.140 3.513) 7.346 4.437 ( 10.544 7.911 -4.297) 13.864 4.875 ( -4.018 1.152 -0.064) 4.180 4.990 ( 11.391 12.303 2.805) 17.000 5.212 ( 2.342 -7.760 -6.728) 10.534 5.314 ( -4.495 -1.943 -5.273) 7.196 5.535 ( -6.390 -1.957 4.240) 7.915 5.692 ( 3.686 3.355 0.057) 4.985 5.904 ( -0.744 -1.445 -0.009) 1.626 6.170 ( -8.862 -6.462 3.033) 11.379 6.961 ( 8.835 6.299 -3.107) 11.287 7.352 ( 5.272 4.574 0.421) 6.992 7.393 ( 3.193 -0.832 -2.931) 4.413 8.554 ( 0.781 -4.783 -4.320) 6.492 8.759 ( -5.947 -2.239 0.718) 6.395 8.913 ( -6.506 -0.978 14.200) 15.650 10.536 ( 5.537 5.676 4.444) 9.090 10.702 ( 1.436 3.107 -4.565) 5.706 10.917 ( 5.192 3.962 -2.937) 7.161 10.928 ( 0.715 -2.338 -2.248) 3.322 11.055 ( 3.699 5.305 5.242) 8.325 11.435 ( 4.543 -4.026 -4.631) 7.635 11.785 ( 1.445 13.248 3.951) 13.900 12.013 ( 2.903 -2.553 -0.483) 3.896 12.257 ( -4.200 -8.029 1.523) 9.188 12.531 ( 3.116 9.262 -6.054) 11.495 12.611 ( 14.112 4.711 4.149) 15.446 12.780 ( -4.699 3.714 -0.710) 6.031 12.946 ( -3.430 -6.891 0.084) 7.698 13.087 ( 2.513 -13.537 3.205) 14.137 13.639 ( -13.876 13.318 11.257) 22.286 13.978 ( -18.502 -19.196 0.182) 26.662 14.637 ( 4.177 2.863 -1.168) 5.197 16.124 ( 22.311 11.288 -0.001) 25.004 16.371 ( -11.953 -12.799 -20.935) 27.294 16.751 ( 3.532 3.165 0.381) 4.757 17.433 ( -4.526 16.401 -4.518) 17.604 17.651 ( 7.196 -11.855 0.163) 13.869 18.057 ( 5.591 -3.992 0.035) 6.870 18.317 ( -5.872 1.403 15.323) 16.469 18.898 ( -10.456 -0.156 7.631) 12.946 19.017 ( 3.015 2.626 -9.824) 10.606 19.990 ( 3.100 3.119 1.023) 4.515 20.163 ( -0.818 -2.677 9.015) 9.439 20.737 ( -2.518 -5.136 -13.543) 14.702 21.168 ( 0.442 0.372 -1.237) 1.365 ======================= Grid point 85 (38/90) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 0.845 -0.569 22.262) 22.285 2.027 ( -0.228 7.871 20.634) 22.086 2.502 ( 1.074 -6.215 -7.541) 9.831 2.696 ( -3.798 -7.437 1.192) 8.435 2.784 ( 2.859 -5.268 -7.468) 9.576 2.872 ( -4.600 1.422 -7.840) 9.200 2.950 ( 5.590 5.887 4.813) 9.438 3.058 ( -0.479 7.894 -2.126) 8.189 3.688 ( -0.896 0.605 29.586) 29.606 3.745 ( 0.138 -7.626 0.581) 7.649 3.954 ( -0.821 3.391 0.361) 3.507 4.142 ( -1.701 -1.847 4.497) 5.150 4.267 ( 1.716 -5.509 -1.868) 6.065 4.595 ( -3.545 -1.075 -7.806) 8.641 4.653 ( 4.328 5.500 -4.124) 8.124 5.099 ( 2.467 -1.757 -9.980) 10.430 5.153 ( -3.903 -0.191 -6.163) 7.298 5.299 ( 1.019 8.356 -1.053) 8.484 5.954 ( 1.173 -3.630 0.848) 3.908 6.023 ( -0.778 -0.756 1.189) 1.610 6.260 ( -0.560 5.742 5.190) 7.760 6.699 ( 0.253 -5.790 -9.484) 11.114 7.172 ( 0.546 -3.734 -5.562) 6.721 7.290 ( -0.655 4.928 -3.417) 6.033 8.829 ( 1.125 -5.334 11.967) 13.150 8.920 ( -1.024 0.431 9.702) 9.766 9.513 ( -0.600 -2.352 6.301) 6.752 10.475 ( -3.667 -1.192 -3.930) 5.506 10.556 ( 3.555 5.568 -7.340) 9.875 10.883 ( 3.020 -4.690 -1.554) 5.791 10.909 ( -1.756 -2.886 -4.872) 5.928 10.981 ( 0.567 1.863 -4.929) 5.300 11.403 ( -1.314 -16.306 -4.298) 16.914 11.700 ( 1.021 6.405 -3.342) 7.296 11.980 ( -1.288 9.549 -14.708) 17.583 12.185 ( 6.183 -6.209 4.264) 9.745 12.253 ( -2.528 -3.151 -0.195) 4.044 12.350 ( -3.913 7.985 -2.057) 9.127 12.968 ( -2.387 -5.338 2.325) 6.292 12.988 ( 3.744 -5.763 0.509) 6.891 13.603 ( -0.705 12.226 0.298) 12.250 13.886 ( -0.981 -14.992 10.605) 18.390 14.332 ( 5.843 10.725 10.711) 16.245 14.421 ( -2.836 2.829 -7.869) 8.830 15.127 ( -2.835 13.804 -3.555) 14.534 16.650 ( -5.797 -24.809 2.012) 25.556 17.057 ( 17.754 1.873 -4.439) 18.396 17.175 ( -0.384 -2.461 6.400) 6.868 17.398 ( -11.717 12.319 6.234) 18.108 18.338 ( -1.466 -5.209 -15.711) 16.617 18.548 ( 3.219 6.406 -15.120) 16.734 18.814 ( 2.579 -5.445 12.533) 13.906 18.972 ( -2.638 6.265 11.685) 13.518 19.650 ( -1.693 3.186 -14.720) 15.156 20.372 ( 1.734 -8.547 5.622) 10.376 20.634 ( -0.642 7.574 8.503) 11.405 21.128 ( -0.049 -0.328 -1.837) 1.867 ======================= Grid point 86 (39/90) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 0.851 -5.406 7.030) 8.909 2.321 ( 1.618 -4.098 1.293) 4.592 2.345 ( 1.423 5.316 13.032) 14.146 2.526 ( -11.274 -8.586 -0.530) 14.181 2.746 ( -5.629 -0.635 -2.252) 6.096 2.782 ( 7.025 2.478 -2.094) 7.738 3.083 ( -3.021 7.541 3.641) 8.902 3.139 ( 5.372 5.506 2.288) 8.026 3.644 ( -2.979 -7.264 -2.487) 8.235 3.796 ( 2.694 -9.067 0.604) 9.478 4.018 ( -7.031 -0.895 -5.909) 9.228 4.162 ( -2.082 3.298 0.634) 3.952 4.274 ( -4.246 -2.869 11.652) 12.729 4.470 ( -0.908 0.324 0.274) 1.003 4.746 ( 7.381 -0.482 2.834) 7.921 4.976 ( -0.325 4.474 -5.713) 7.263 5.128 ( 3.734 2.003 -2.005) 4.688 5.389 ( 4.695 8.053 -1.262) 9.407 5.909 ( -3.530 -2.372 -0.270) 4.262 6.033 ( 1.591 -1.107 -1.503) 2.453 6.323 ( -0.609 1.006 0.337) 1.223 6.536 ( -0.569 -1.803 -6.144) 6.428 7.101 ( 4.793 -3.638 -5.952) 8.463 7.277 ( 0.166 5.051 -3.219) 5.992 8.935 ( -1.528 -5.362 7.783) 9.574 9.033 ( -4.140 -1.879 12.650) 13.442 9.532 ( -3.351 -4.629 3.048) 6.476 10.386 ( -2.485 0.257 -1.924) 3.153 10.566 ( 5.520 6.321 -5.935) 10.279 10.785 ( -2.832 -4.848 -5.436) 7.815 10.868 ( 2.357 0.785 -4.750) 5.360 10.893 ( 1.622 -1.490 -7.365) 7.687 11.240 ( 1.947 -9.259 -4.083) 10.304 11.652 ( -6.323 8.646 -3.283) 11.203 11.908 ( 2.909 -0.340 -5.634) 6.349 12.193 ( -3.396 -7.210 4.779) 9.293 12.221 ( 3.486 7.218 -8.691) 11.823 12.442 ( 0.870 4.220 9.889) 10.787 12.946 ( -0.976 -3.357 4.201) 5.465 12.992 ( 2.042 -4.297 -1.287) 4.929 13.644 ( 0.953 1.301 -3.436) 3.796 13.876 ( -6.933 -6.718 7.415) 12.173 14.326 ( 1.857 4.082 -7.689) 8.901 14.615 ( 5.144 10.088 7.896) 13.805 15.176 ( 2.991 7.778 -3.970) 9.231 16.460 ( -6.347 -16.663 6.833) 19.095 17.033 ( -7.802 3.920 -2.079) 8.976 17.288 ( -1.169 -2.163 6.220) 6.688 17.544 ( 10.719 0.746 6.297) 12.454 18.057 ( -1.802 -3.387 -16.172) 16.620 18.458 ( 5.591 7.673 -14.577) 17.396 19.009 ( 6.115 -3.635 11.259) 13.318 19.104 ( -6.531 5.306 9.566) 12.741 19.465 ( -0.740 2.110 -11.164) 11.386 20.348 ( -3.918 -7.261 3.090) 8.811 20.822 ( 2.959 6.054 6.665) 9.478 21.099 ( 0.339 -0.255 -2.044) 2.088 ======================= Grid point 87 (40/90) ======================= q-point: (-0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( -9.596 -13.461 -8.858) 18.754 2.233 ( -16.333 -8.223 -0.743) 18.301 2.521 ( -2.726 -0.216 4.650) 5.395 2.602 ( 8.977 1.359 9.942) 13.463 2.676 ( -3.389 2.425 5.040) 6.540 2.880 ( 4.192 3.782 -0.094) 5.646 3.113 ( -4.626 2.234 0.747) 5.191 3.314 ( 4.403 9.986 5.483) 12.213 3.525 ( 3.350 -7.756 -4.326) 9.492 3.762 ( -5.498 -7.002 1.054) 8.965 3.893 ( 0.317 0.762 1.045) 1.331 4.008 ( -1.130 -0.275 -12.036) 12.092 4.205 ( -12.672 -3.235 2.143) 13.253 4.563 ( 4.427 -0.509 -3.563) 5.705 4.876 ( 5.991 -4.779 7.429) 10.673 5.019 ( -0.948 6.113 3.132) 6.934 5.221 ( 5.479 4.241 3.281) 7.666 5.483 ( 4.090 6.487 -1.691) 7.853 5.832 ( -4.828 -2.110 -0.033) 5.269 5.998 ( -0.005 -0.854 -3.341) 3.448 6.327 ( 6.139 -1.314 -0.933) 6.347 6.499 ( -0.264 2.866 -1.874) 3.434 7.069 ( 5.698 -0.839 -6.266) 8.510 7.286 ( 2.059 3.925 -2.642) 5.160 8.904 ( -3.126 -4.650 -1.685) 5.851 9.123 ( -5.416 -2.595 10.348) 11.965 9.428 ( -9.045 -5.560 0.605) 10.635 10.386 ( 0.958 2.851 1.730) 3.469 10.604 ( -1.384 -3.116 -8.954) 9.581 10.623 ( 3.249 3.001 -1.276) 4.604 10.797 ( -1.020 1.399 -3.262) 3.693 10.883 ( 9.234 -0.329 -7.968) 12.201 11.218 ( 6.039 -1.184 -1.582) 6.353 11.618 ( -1.988 7.437 -2.326) 8.041 11.848 ( -4.070 -8.228 3.922) 9.982 12.178 ( -0.304 -2.408 1.649) 2.934 12.251 ( 5.331 9.573 -4.199) 11.734 12.600 ( -0.533 1.242 7.292) 7.416 12.932 ( -2.443 -2.555 -0.612) 3.587 13.016 ( 2.784 -1.479 3.696) 4.858 13.562 ( -0.664 -6.716 -4.593) 8.164 13.806 ( -10.439 -1.683 4.742) 11.588 14.321 ( 6.178 3.857 -5.713) 9.257 14.845 ( 1.550 10.383 6.690) 12.449 15.155 ( 3.377 -1.887 -7.615) 8.541 16.444 ( -2.812 -4.894 10.294) 11.740 16.958 ( -5.805 3.569 2.014) 7.106 17.282 ( -5.928 -5.990 3.874) 9.275 17.742 ( 10.675 -2.995 -3.355) 11.583 17.828 ( 1.977 -0.299 -9.227) 9.441 18.409 ( 4.431 8.587 -10.731) 14.440 19.105 ( -1.316 -1.951 -1.566) 2.827 19.200 ( -3.786 1.847 9.780) 10.649 19.427 ( 4.737 1.794 2.674) 5.728 20.270 ( -4.770 -5.752 1.579) 7.637 20.939 ( -0.275 3.923 0.927) 4.040 21.095 ( 2.339 0.321 -0.229) 2.372 ======================= Grid point 88 (41/90) ======================= q-point: (-0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -16.714 -13.664 -4.024) 21.960 1.919 ( -21.853 -6.648 0.630) 22.851 2.493 ( -6.912 0.065 4.501) 8.248 2.724 ( 0.497 -0.812 1.699) 1.948 2.835 ( 5.868 -1.477 5.722) 8.328 2.921 ( -0.426 -0.638 -0.378) 0.855 3.042 ( -1.721 2.915 -3.867) 5.139 3.412 ( 0.606 0.234 -2.163) 2.259 3.547 ( 1.047 -0.807 2.591) 2.909 3.699 ( -3.747 2.323 1.885) 4.795 3.836 ( 0.067 -0.268 -7.891) 7.896 4.011 ( -6.074 -2.344 7.791) 10.154 4.061 ( 3.701 -0.434 1.437) 3.994 4.517 ( 6.672 0.789 -9.222) 11.410 4.995 ( 6.635 -2.687 1.250) 7.266 5.056 ( -4.410 2.961 2.744) 5.979 5.373 ( 1.967 2.151 5.014) 5.800 5.568 ( 4.300 4.700 0.023) 6.370 5.760 ( -4.698 -2.058 1.022) 5.230 5.939 ( -0.426 -0.047 -3.784) 3.809 6.427 ( 4.724 -2.801 -0.060) 5.492 6.506 ( 4.147 4.994 0.337) 6.501 7.075 ( 6.645 2.506 -5.040) 8.708 7.308 ( 3.056 2.485 -2.986) 4.943 8.758 ( -3.505 -2.834 -8.142) 9.306 9.075 ( -3.713 -5.970 -4.721) 8.469 9.306 ( -15.689 -0.212 10.285) 18.761 10.442 ( 0.069 2.133 -2.921) 3.618 10.519 ( 4.215 0.165 2.138) 4.729 10.671 ( 4.554 3.210 -3.356) 6.504 10.797 ( 2.452 2.008 -0.350) 3.188 10.875 ( 7.420 -1.350 -8.076) 11.050 11.309 ( 6.955 0.653 1.378) 7.120 11.644 ( 2.191 6.452 -2.012) 7.105 11.828 ( -2.326 -8.608 9.219) 12.826 12.216 ( -0.035 2.928 4.722) 5.556 12.351 ( 7.458 8.625 -4.638) 12.309 12.609 ( -6.935 -5.045 2.809) 9.024 12.884 ( -1.270 1.334 -1.383) 2.303 13.048 ( -0.941 -3.790 -0.057) 3.906 13.421 ( -4.105 -9.259 -2.205) 10.366 13.767 ( -6.650 2.125 7.646) 10.353 14.376 ( 7.322 3.170 -3.229) 8.608 14.826 ( -16.488 -3.270 0.008) 16.809 15.225 ( 17.717 7.237 -3.000) 19.372 16.519 ( -2.731 0.607 5.780) 6.422 17.043 ( 3.345 2.333 9.693) 10.516 17.122 ( -5.409 -9.880 -7.578) 13.576 17.655 ( -0.041 7.541 -9.643) 12.241 17.887 ( 8.651 -6.932 -0.600) 11.102 18.414 ( 1.159 7.998 -2.844) 8.567 19.015 ( 0.335 -2.019 -6.455) 6.771 19.237 ( -9.274 0.388 8.276) 12.436 19.635 ( 8.392 1.780 9.189) 12.572 20.192 ( -3.346 -5.558 1.516) 6.662 20.912 ( -1.942 1.695 -4.418) 5.115 21.137 ( 2.132 0.992 -0.120) 2.354 ======================= Grid point 89 (42/90) ======================= q-point: (-0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -19.848 -8.446 7.198) 22.739 1.609 ( -24.286 -3.439 5.710) 25.184 2.447 ( -15.289 -6.223 11.975) 20.394 2.718 ( -2.956 -1.023 -1.040) 3.297 2.812 ( -1.971 -2.683 -0.841) 3.434 2.924 ( 5.329 -1.635 -3.754) 6.720 3.069 ( 0.418 4.812 1.657) 5.106 3.362 ( 0.048 -2.971 -2.796) 4.080 3.536 ( -0.331 -3.271 -4.500) 5.573 3.647 ( -0.798 -2.457 -0.729) 2.684 3.730 ( -2.257 2.093 -7.768) 8.356 4.020 ( 2.215 1.141 4.383) 5.042 4.247 ( 4.325 1.873 3.181) 5.686 4.608 ( 13.879 8.777 0.159) 16.422 5.045 ( 5.914 -1.940 -4.526) 7.695 5.052 ( -4.672 1.944 4.013) 6.458 5.393 ( -0.955 -0.626 -3.905) 4.069 5.648 ( -0.376 2.289 3.717) 4.382 5.705 ( -3.974 -2.570 1.835) 5.075 5.898 ( 0.461 1.099 -2.894) 3.130 6.372 ( -4.503 -3.802 -0.238) 5.898 6.682 ( 10.885 4.927 -0.105) 11.948 7.153 ( 8.667 3.316 -1.098) 9.345 7.317 ( 2.777 2.483 -3.937) 5.420 8.578 ( -2.516 -1.870 -8.091) 8.677 8.887 ( -4.766 -4.214 -5.853) 8.645 9.251 ( -15.123 0.799 9.536) 17.897 10.452 ( 1.435 2.380 2.345) 3.636 10.622 ( 5.898 2.146 -3.889) 7.383 10.724 ( 6.754 3.936 -2.293) 8.146 10.844 ( 5.608 -0.427 -1.612) 5.851 10.888 ( 5.388 3.359 -0.861) 6.408 11.404 ( 2.297 -2.434 2.595) 4.235 11.715 ( 4.879 7.914 -2.010) 9.512 11.896 ( 1.761 -8.699 9.484) 12.989 12.347 ( 3.181 3.442 1.694) 4.983 12.425 ( 2.737 3.506 -1.537) 4.706 12.467 ( -5.979 -0.183 -1.273) 6.115 12.868 ( -1.376 4.302 -2.291) 5.064 12.965 ( -2.372 -8.218 1.626) 8.707 13.252 ( -7.620 -7.530 -1.795) 10.862 13.864 ( -3.996 0.839 12.711) 13.350 14.448 ( -1.136 0.345 -1.818) 2.171 14.537 ( -12.189 -1.275 -2.394) 12.488 15.526 ( 20.764 8.056 0.121) 22.272 16.520 ( -2.246 -6.468 -0.860) 6.900 16.812 ( -6.239 -1.971 -14.025) 15.476 17.302 ( 11.007 -3.330 10.105) 15.309 17.609 ( -2.454 12.813 -6.342) 14.505 17.910 ( 4.931 -4.751 -0.576) 6.871 18.477 ( -2.647 3.612 6.620) 7.992 18.920 ( 2.778 -1.824 -8.362) 8.998 19.214 ( -11.873 2.470 7.611) 14.317 19.866 ( 6.377 2.595 5.640) 8.900 20.150 ( 0.529 -10.458 4.501) 11.398 20.805 ( -2.976 1.562 -8.347) 8.998 21.150 ( 1.035 0.833 -1.657) 2.124 ======================= Grid point 90 (43/90) ======================= q-point: (-0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( -15.773 2.347 19.110) 24.890 1.437 ( -20.850 -0.816 15.992) 26.289 2.353 ( -23.423 -12.526 24.572) 36.185 2.619 ( -2.004 1.399 -3.743) 4.470 2.823 ( -1.166 -4.093 2.486) 4.928 2.907 ( 3.850 2.555 -5.049) 6.844 3.146 ( 3.657 5.380 -1.193) 6.614 3.302 ( 3.719 -3.394 -6.286) 8.054 3.389 ( -1.041 -3.639 -8.628) 9.422 3.564 ( -2.603 -0.131 -6.141) 6.671 3.706 ( 5.832 -2.983 1.359) 6.690 4.137 ( -0.634 3.619 5.685) 6.769 4.294 ( 5.755 3.187 -5.773) 8.752 4.873 ( 8.309 5.420 0.435) 9.930 4.981 ( 3.479 -5.422 -10.984) 12.734 5.073 ( -2.042 4.495 4.234) 6.504 5.295 ( -1.990 -1.172 -2.740) 3.583 5.662 ( -2.375 -1.971 0.020) 3.086 5.714 ( -2.424 3.193 6.555) 7.684 5.876 ( 0.362 0.777 -1.674) 1.880 6.278 ( -6.513 -3.726 1.694) 7.693 6.810 ( 9.420 2.505 -4.814) 10.871 7.294 ( 6.534 0.749 -0.553) 6.600 7.323 ( 3.321 5.087 -2.086) 6.423 8.476 ( 0.512 -1.293 -2.176) 2.582 8.776 ( -0.812 -0.724 -1.599) 1.934 9.204 ( -10.743 0.210 9.559) 14.381 10.566 ( 5.693 3.757 -0.942) 6.886 10.603 ( 4.017 0.507 -2.660) 4.844 10.803 ( 4.491 1.836 -2.266) 5.355 10.935 ( 3.800 2.199 3.606) 5.681 11.031 ( 10.400 9.093 -0.797) 13.837 11.362 ( -5.282 -6.902 -0.773) 8.726 11.842 ( 8.876 9.467 -2.276) 13.175 11.971 ( 0.778 -8.644 6.370) 10.766 12.181 ( -5.203 -10.126 -5.152) 12.496 12.448 ( 2.827 5.186 -7.741) 9.737 12.597 ( 6.256 3.495 5.507) 9.038 12.849 ( -2.913 8.248 -2.888) 9.212 13.003 ( -0.061 -0.878 8.911) 8.954 13.079 ( -4.104 -6.664 1.074) 7.900 13.959 ( -4.867 -12.973 11.385) 17.933 14.171 ( -23.214 6.223 0.308) 24.036 14.579 ( 5.028 3.048 -1.380) 6.040 15.864 ( 21.328 2.452 -1.710) 21.536 16.168 ( -12.116 -10.108 -16.790) 23.040 16.763 ( 3.840 6.937 1.672) 8.103 17.400 ( 7.992 -18.661 -3.193) 20.550 17.612 ( -8.354 20.982 -4.466) 23.021 18.039 ( 8.716 3.553 10.052) 13.771 18.563 ( -4.431 -2.705 11.250) 12.390 18.820 ( 2.796 -2.034 -9.485) 10.096 19.181 ( -11.627 7.643 3.485) 14.344 19.930 ( 3.360 -4.150 -4.218) 6.804 20.201 ( 4.815 -13.957 9.720) 17.677 20.635 ( -7.315 6.505 -9.628) 13.730 21.146 ( 0.902 0.714 -1.113) 1.601 ======================= Grid point 93 (44/90) ======================= q-point: ( 0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( -1.522 -6.345 8.909) 11.043 2.283 ( 1.340 0.683 6.855) 7.018 2.327 ( 1.302 -5.650 1.849) 6.085 2.583 ( 6.618 3.043 1.514) 7.440 2.750 ( -1.797 -6.302 1.873) 6.816 2.840 ( -0.517 1.532 -3.217) 3.601 2.953 ( 2.644 5.497 1.521) 6.287 3.143 ( -1.218 4.070 2.073) 4.727 3.693 ( 1.260 -1.325 1.310) 2.249 3.801 ( -4.205 -10.751 -4.693) 12.461 4.099 ( 8.176 5.245 0.500) 9.727 4.128 ( 0.819 -1.597 -3.334) 3.786 4.263 ( 4.867 -2.021 13.185) 14.200 4.463 ( 0.541 0.567 -3.293) 3.385 4.720 ( -6.818 -1.670 3.036) 7.648 4.984 ( -1.254 4.740 -2.183) 5.367 5.137 ( -3.652 3.037 -3.658) 5.995 5.393 ( -4.225 7.569 -0.381) 8.676 5.901 ( 2.934 -2.751 -0.929) 4.128 6.017 ( 0.107 -2.022 -1.427) 2.477 6.371 ( -2.076 5.956 1.597) 6.507 6.510 ( 2.032 -5.367 -7.117) 9.142 7.067 ( -2.898 -4.700 -7.104) 8.997 7.301 ( -1.527 5.269 -2.900) 6.206 8.912 ( 3.411 -7.550 11.378) 14.075 9.029 ( 3.511 -1.905 7.699) 8.674 9.597 ( 0.619 0.354 5.957) 6.000 10.412 ( 4.292 3.159 -9.500) 10.893 10.510 ( -6.661 1.543 -2.155) 7.169 10.755 ( -0.024 -6.611 -4.711) 8.118 10.806 ( 4.353 -3.403 -2.522) 6.074 10.967 ( -5.081 3.580 -5.942) 8.599 11.242 ( -0.803 -11.022 -5.180) 12.205 11.633 ( 6.520 7.396 -2.792) 10.247 11.941 ( -1.402 1.300 -5.913) 6.215 12.080 ( -1.940 0.650 -4.276) 4.741 12.377 ( -8.256 -1.503 6.384) 10.544 12.416 ( 5.564 8.590 2.379) 10.507 12.914 ( 2.160 -6.680 1.502) 7.179 12.992 ( -1.603 -3.202 2.699) 4.484 13.651 ( -0.809 0.126 -3.382) 3.479 13.886 ( 6.171 -5.303 5.916) 10.060 14.288 ( -0.945 3.259 -6.043) 6.931 14.584 ( -3.757 6.905 7.482) 10.852 15.286 ( -7.979 16.719 -4.499) 19.064 16.533 ( 5.105 -21.307 5.000) 22.473 16.817 ( 11.688 1.201 1.441) 11.837 17.228 ( 1.132 -8.169 7.390) 11.073 17.748 ( -13.277 13.878 3.396) 19.504 18.095 ( 1.171 -2.863 -15.124) 15.437 18.354 ( -1.346 1.224 -14.557) 14.670 18.903 ( 1.874 -6.164 10.636) 12.435 19.219 ( -2.508 9.018 10.399) 13.991 19.509 ( -1.161 5.763 -13.173) 14.425 20.312 ( 5.767 -10.422 4.499) 12.732 20.814 ( -2.412 5.048 5.840) 8.088 21.104 ( -0.619 0.270 -1.761) 1.886 ======================= Grid point 94 (45/90) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 0.326 -15.814 -8.273) 17.850 2.370 ( 5.587 -0.870 3.760) 6.790 2.510 ( 1.026 0.593 13.412) 13.465 2.628 ( -10.062 -3.934 0.470) 10.814 2.759 ( 3.133 5.706 5.583) 8.576 2.792 ( -1.767 -0.621 1.634) 2.485 3.157 ( 7.212 6.685 5.620) 11.326 3.216 ( 0.673 5.640 3.173) 6.506 3.529 ( -6.446 -12.812 -7.835) 16.343 3.723 ( 3.144 -2.094 1.253) 3.980 3.988 ( -3.148 0.907 -7.728) 8.394 4.136 ( -6.218 -2.792 -7.390) 10.053 4.322 ( 4.924 -4.902 -6.522) 9.530 4.512 ( 4.555 3.756 5.851) 8.312 4.736 ( -1.760 -1.841 3.427) 4.270 5.084 ( -3.246 4.888 11.542) 12.948 5.122 ( 1.150 5.435 2.643) 6.152 5.422 ( -0.217 9.098 -0.555) 9.117 5.883 ( 2.271 -3.768 -2.932) 5.287 5.983 ( -0.390 -1.178 -1.394) 1.866 6.311 ( -3.220 -1.696 -6.241) 7.225 6.465 ( 1.789 2.898 -1.500) 3.721 6.938 ( 2.303 -4.768 -5.275) 7.474 7.281 ( -1.118 5.737 -3.363) 6.744 8.962 ( -0.661 -7.301 1.296) 7.445 9.143 ( 2.261 -3.689 4.571) 6.294 9.662 ( -5.002 0.064 7.215) 8.780 10.379 ( 8.497 3.189 -10.440) 13.833 10.432 ( -4.106 1.449 -0.671) 4.406 10.644 ( 0.210 -4.528 -3.473) 5.711 10.802 ( 0.610 -0.095 -2.429) 2.506 10.848 ( -2.797 1.634 -5.243) 6.163 11.109 ( 0.777 -6.563 -2.982) 7.250 11.723 ( 3.081 3.104 -0.285) 4.383 11.820 ( -4.406 8.673 -7.629) 12.362 12.079 ( 6.618 -0.893 -1.802) 6.917 12.333 ( -8.794 -5.169 7.036) 12.392 12.592 ( 2.624 6.707 5.910) 9.317 12.919 ( 2.259 -4.443 1.724) 5.274 13.002 ( -1.741 -3.914 5.267) 6.789 13.566 ( 0.197 -4.888 -5.542) 7.392 13.962 ( 0.143 -2.159 3.523) 4.134 14.219 ( 1.280 2.183 -6.369) 6.853 14.716 ( 2.029 8.080 3.760) 9.140 15.265 ( -6.841 13.437 -2.503) 15.284 16.500 ( -0.523 -13.596 8.872) 16.243 16.969 ( 7.840 -3.764 -1.586) 8.840 17.273 ( 3.295 -6.787 4.092) 8.583 17.725 ( -10.882 6.952 3.563) 13.396 17.880 ( -2.758 -1.451 -8.705) 9.246 18.222 ( 6.809 5.683 -14.288) 16.817 19.031 ( 3.843 -3.685 5.877) 7.930 19.356 ( -5.466 6.309 7.565) 11.266 19.390 ( -0.641 4.735 -4.359) 6.467 20.318 ( 1.557 -11.531 1.667) 11.754 20.926 ( 1.106 6.118 4.180) 7.492 21.069 ( -0.778 0.363 -2.219) 2.379 ======================= Grid point 95 (46/90) ======================= q-point: (-0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( -3.226 -13.893 -3.810) 14.763 2.393 ( -12.028 -7.251 3.077) 14.378 2.539 ( 6.204 2.743 -2.279) 7.156 2.630 ( -2.718 -2.255 6.716) 7.588 2.835 ( -1.882 1.944 6.155) 6.724 2.920 ( 1.298 3.071 6.523) 7.326 3.137 ( -6.069 -4.874 -8.201) 11.307 3.307 ( 4.713 0.199 -2.073) 5.153 3.486 ( 3.486 5.505 8.319) 10.567 3.762 ( 2.252 -5.336 2.050) 6.144 3.869 ( -3.381 -1.336 -10.589) 11.196 3.908 ( -1.666 4.173 -1.553) 4.754 4.278 ( 3.349 -2.364 -5.140) 6.574 4.525 ( -12.328 -4.587 2.753) 13.439 4.778 ( 8.863 2.229 -2.764) 9.548 5.152 ( -1.532 2.914 3.322) 4.677 5.337 ( 0.238 3.280 12.445) 12.872 5.491 ( 0.857 7.276 0.847) 7.375 5.827 ( 1.625 -4.861 -3.814) 6.388 5.948 ( -1.449 -0.172 -1.195) 1.886 6.227 ( 3.634 -0.271 -2.788) 4.588 6.490 ( 1.249 4.540 -2.339) 5.257 6.903 ( 5.433 -2.904 -3.411) 7.041 7.268 ( -0.007 5.843 -3.794) 6.967 8.848 ( -3.084 -4.074 -6.566) 8.320 9.126 ( -0.540 -3.570 -4.445) 5.727 9.669 ( -9.367 1.081 6.745) 11.593 10.378 ( 8.024 -1.273 -6.766) 10.572 10.411 ( 0.576 1.989 -0.630) 2.164 10.610 ( 0.224 1.408 -1.075) 1.785 10.735 ( -0.800 1.619 -4.977) 5.294 10.804 ( -0.877 -0.028 -0.143) 0.889 11.119 ( 6.603 -2.272 2.055) 7.279 11.688 ( -6.033 6.652 -2.973) 9.459 11.830 ( 4.725 -3.330 1.527) 5.979 12.159 ( 5.081 3.754 0.203) 6.320 12.295 ( -4.460 -2.535 5.556) 7.562 12.726 ( -0.248 4.228 4.375) 6.089 12.910 ( -1.730 -4.804 0.487) 5.129 13.044 ( 0.348 -3.847 4.918) 6.254 13.451 ( 0.656 -7.151 -4.137) 8.288 13.952 ( -5.406 -1.806 3.369) 6.621 14.207 ( 4.552 4.081 -4.206) 7.420 14.859 ( 9.034 5.814 -1.635) 10.866 15.208 ( -11.662 8.969 -0.254) 14.714 16.565 ( -0.368 -4.942 9.252) 10.495 16.950 ( 4.053 -9.277 -1.416) 10.222 17.246 ( -0.853 -5.485 -6.669) 8.677 17.657 ( -3.228 3.907 -2.337) 5.581 17.827 ( -4.269 2.851 4.214) 6.641 18.220 ( 11.182 6.270 -9.598) 16.015 19.042 ( -0.774 -1.089 -3.833) 4.059 19.442 ( -5.727 4.847 8.131) 11.064 19.456 ( 4.198 0.644 7.907) 8.975 20.246 ( -0.456 -10.657 -0.247) 10.670 20.980 ( -2.903 3.774 -2.451) 5.355 21.065 ( 2.983 1.547 0.108) 3.362 ======================= Grid point 96 (47/90) ======================= q-point: (-0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( -9.533 -9.348 4.405) 14.059 2.178 ( -18.274 -5.285 3.870) 19.413 2.592 ( 1.737 1.418 -0.118) 2.246 2.707 ( 3.395 -1.506 5.508) 6.644 2.785 ( -2.789 -3.931 -10.975) 11.987 2.894 ( -0.527 -3.056 0.174) 3.106 3.121 ( -2.599 4.060 7.199) 8.663 3.318 ( 2.717 -1.917 -4.094) 5.274 3.488 ( 0.389 -4.133 -6.401) 7.629 3.770 ( -3.057 3.575 -0.761) 4.765 3.839 ( 0.249 2.405 3.947) 4.629 4.033 ( 7.305 3.298 4.222) 9.059 4.234 ( -10.456 1.658 4.325) 11.436 4.328 ( 0.513 -5.901 -4.036) 7.168 4.852 ( 7.221 1.825 -5.395) 9.197 5.187 ( -2.874 2.380 3.183) 4.905 5.414 ( -0.916 -1.549 -0.361) 1.836 5.616 ( 0.940 4.832 7.408) 8.894 5.762 ( 1.467 -5.576 -2.296) 6.206 5.912 ( -2.049 1.337 -1.295) 2.768 6.296 ( 7.892 0.456 -2.180) 8.200 6.521 ( 2.147 5.032 0.042) 5.471 6.939 ( 6.954 -0.120 -1.325) 7.080 7.262 ( 1.056 5.534 -4.255) 7.060 8.671 ( -4.130 0.151 -9.147) 10.037 8.988 ( -2.759 -2.170 -7.724) 8.484 9.612 ( -10.143 1.661 2.192) 10.510 10.401 ( 3.937 -1.945 1.017) 4.508 10.447 ( 4.360 4.397 -3.182) 6.962 10.609 ( 2.163 0.329 -2.497) 3.320 10.728 ( 2.089 4.181 0.287) 4.683 10.801 ( 1.068 -0.396 -0.312) 1.181 11.259 ( 7.519 -0.749 4.336) 8.712 11.648 ( -1.592 4.264 -1.251) 4.720 11.886 ( 1.780 -8.413 7.089) 11.144 12.254 ( 3.436 8.785 -2.547) 9.771 12.350 ( 0.931 0.860 6.563) 6.684 12.727 ( -9.558 -4.517 2.635) 10.894 12.859 ( 1.454 1.656 -2.614) 3.419 13.025 ( -1.331 -7.731 0.023) 7.845 13.373 ( -1.211 -6.052 -0.951) 6.245 13.949 ( -3.923 -1.211 8.236) 9.203 14.272 ( 6.786 4.194 -2.003) 8.225 14.903 ( 0.435 1.667 -9.858) 10.007 15.192 ( -3.725 10.817 7.072) 13.450 16.580 ( -2.223 -7.281 0.472) 7.628 16.940 ( 2.047 -8.363 -4.863) 9.888 17.068 ( 1.916 -3.293 -3.760) 5.353 17.658 ( -2.001 8.154 0.723) 8.427 17.863 ( -2.238 3.530 2.761) 5.009 18.334 ( 12.150 4.536 -2.991) 13.309 18.945 ( -3.272 -1.645 -4.045) 5.457 19.478 ( -7.561 1.990 7.264) 10.673 19.684 ( 6.748 1.647 10.146) 12.296 20.148 ( -0.240 -11.898 -0.688) 11.921 20.896 ( -3.909 2.631 -5.620) 7.334 21.109 ( 2.160 1.670 -1.232) 2.996 ======================= Grid point 97 (48/90) ======================= q-point: (-0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -13.508 -2.078 13.172) 18.981 1.978 ( -18.961 -1.703 7.916) 20.618 2.557 ( 0.469 -3.368 -8.353) 9.019 2.649 ( 4.647 -0.299 -5.659) 7.329 2.817 ( 1.461 -0.579 5.515) 5.735 2.874 ( -0.743 -4.131 3.134) 5.238 3.138 ( -3.349 1.123 -1.180) 3.724 3.224 ( 1.943 -5.703 -4.224) 7.358 3.479 ( 1.263 0.659 -1.311) 1.936 3.686 ( -4.944 3.854 -4.316) 7.611 3.822 ( -18.643 -3.670 5.388) 19.750 4.032 ( 3.672 -1.561 1.499) 4.262 4.233 ( 1.640 -1.181 1.224) 2.362 4.526 ( 14.583 12.376 2.760) 19.324 4.830 ( 5.669 -4.464 -8.661) 11.273 5.197 ( -4.013 1.597 2.098) 4.802 5.349 ( -1.831 -1.718 -2.732) 3.711 5.721 ( 1.250 -6.829 1.567) 7.117 5.744 ( -0.652 4.161 3.902) 5.741 5.883 ( -1.494 2.799 -1.114) 3.363 6.317 ( 3.205 -1.255 -3.720) 5.068 6.624 ( 4.573 4.159 0.558) 6.207 7.059 ( 8.892 2.202 2.620) 9.528 7.266 ( 1.671 6.451 -4.182) 7.868 8.514 ( -3.249 0.897 -6.069) 6.942 8.840 ( -3.196 0.071 -5.997) 6.796 9.506 ( -9.523 1.160 0.413) 9.602 10.462 ( 2.792 4.475 -6.267) 8.192 10.478 ( 3.740 -3.090 3.837) 6.185 10.637 ( 6.651 3.689 -2.928) 8.150 10.830 ( 4.014 -0.386 0.928) 4.138 10.850 ( 2.945 7.338 5.348) 9.545 11.378 ( 5.458 -1.992 0.664) 5.848 11.667 ( 1.439 1.898 -0.090) 2.383 11.953 ( 1.247 -10.250 9.704) 14.170 12.298 ( 2.261 7.290 -6.123) 9.785 12.439 ( -4.279 2.330 -0.371) 4.886 12.565 ( -5.143 -5.069 2.547) 7.657 12.877 ( 0.716 7.238 -2.997) 7.866 12.970 ( 0.617 -9.857 5.869) 11.489 13.264 ( -6.074 -3.885 -2.263) 7.557 14.030 ( -1.587 -7.332 10.317) 12.756 14.387 ( 7.724 4.597 -0.381) 8.996 14.710 ( -12.912 7.053 -6.833) 16.222 15.399 ( 9.123 6.544 4.844) 12.228 16.403 ( -4.980 -14.690 -7.753) 17.341 16.765 ( -3.983 5.919 -6.804) 9.859 17.130 ( 11.325 -13.221 -0.104) 17.408 17.759 ( -2.883 17.644 2.563) 18.060 17.907 ( 0.385 3.666 4.054) 5.479 18.497 ( 10.859 0.689 0.809) 10.910 18.828 ( -4.299 -2.412 -3.252) 5.905 19.482 ( -9.382 3.441 6.493) 11.918 19.858 ( 2.585 1.156 -1.729) 3.318 20.070 ( 3.768 -17.475 6.769) 19.115 20.780 ( -4.459 4.424 -6.219) 8.839 21.120 ( 1.282 1.346 -1.644) 2.482 ======================= Grid point 98 (49/90) ======================= q-point: (-0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -11.458 5.273 18.063) 22.031 1.902 ( -16.043 1.348 14.743) 21.831 2.458 ( 6.104 -1.418 -8.756) 10.768 2.574 ( 1.244 -5.701 -7.554) 9.545 2.831 ( 1.180 -1.449 -0.975) 2.108 2.949 ( -0.221 -4.647 7.792) 9.075 3.142 ( 1.546 3.270 0.898) 3.727 3.182 ( 1.749 -2.943 -0.443) 3.451 3.344 ( -8.547 -0.286 -4.517) 9.672 3.624 ( -15.128 -2.887 5.364) 16.309 3.702 ( -0.004 2.478 4.165) 4.846 4.099 ( 7.440 -2.020 -3.723) 8.561 4.282 ( 0.012 4.056 2.866) 4.966 4.660 ( 6.631 -6.483 -13.835) 16.656 4.808 ( 8.666 3.773 -2.938) 9.898 5.178 ( -2.702 1.615 2.065) 3.764 5.299 ( -2.348 1.067 -0.452) 2.618 5.678 ( -3.615 -5.242 0.295) 6.374 5.790 ( 1.540 1.659 -0.305) 2.285 5.920 ( -0.419 4.848 3.792) 6.169 6.294 ( 0.551 -0.854 -1.455) 1.775 6.675 ( 3.457 0.100 -2.868) 4.493 7.233 ( 5.826 4.076 1.390) 7.245 7.297 ( 3.015 6.178 -1.676) 7.076 8.456 ( 0.337 -1.388 1.182) 1.854 8.760 ( -0.915 2.023 -2.126) 3.074 9.415 ( -7.042 0.671 2.169) 7.399 10.421 ( 3.202 0.715 -6.035) 6.870 10.568 ( 5.238 -1.663 2.265) 5.944 10.732 ( 6.140 5.708 -1.984) 8.615 10.929 ( 5.843 0.069 2.792) 6.476 11.038 ( 3.531 11.453 4.596) 12.836 11.359 ( -2.053 -4.792 -3.418) 6.234 11.700 ( 6.521 -0.147 -2.809) 7.102 11.998 ( -1.921 -13.219 6.397) 14.811 12.192 ( -9.025 0.255 -2.220) 9.298 12.335 ( 1.771 2.607 -7.867) 8.475 12.607 ( 2.451 0.026 2.189) 3.286 12.911 ( -0.208 10.849 -2.840) 11.217 13.083 ( 2.352 -6.378 6.105) 9.137 13.118 ( -3.813 -0.502 3.275) 5.051 14.005 ( -4.739 -13.447 2.722) 14.515 14.508 ( 3.140 4.879 0.672) 5.840 14.553 ( -13.369 8.179 1.756) 15.770 15.602 ( 12.775 0.019 -3.145) 13.157 16.089 ( -9.640 -5.403 -6.257) 12.699 16.783 ( 4.163 6.075 1.110) 7.447 17.111 ( 7.378 -18.541 -2.526) 20.114 17.812 ( -7.151 20.166 -4.563) 21.877 18.132 ( 7.219 7.245 11.862) 15.663 18.612 ( 8.031 -2.330 -3.802) 9.185 18.731 ( -4.554 -2.386 3.232) 6.073 19.424 ( -15.049 4.286 -0.342) 15.651 19.724 ( 4.046 -11.855 -8.046) 14.888 20.165 ( 4.388 -9.277 7.622) 12.783 20.702 ( -4.713 6.752 -1.770) 8.422 21.126 ( 1.057 1.058 -0.839) 1.715 ======================= Grid point 101 (50/90) ======================= q-point: ( 0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 9.731 -15.999 -8.736) 20.663 2.143 ( 12.746 -7.872 -4.447) 15.627 2.534 ( -1.194 2.607 11.459) 11.812 2.674 ( 1.478 2.991 0.925) 3.462 2.771 ( 2.073 3.873 12.664) 13.404 2.846 ( -3.378 -0.465 -1.100) 3.583 3.033 ( -1.396 2.313 4.335) 5.108 3.200 ( -2.852 0.806 2.420) 3.826 3.666 ( -0.743 -9.341 -5.509) 10.870 3.725 ( 0.454 3.356 -0.244) 3.395 3.986 ( 9.223 -0.243 1.553) 9.356 4.012 ( 0.575 2.882 -9.613) 10.052 4.179 ( 11.201 -4.840 2.870) 12.535 4.498 ( -8.275 -1.451 -9.580) 12.742 4.858 ( -4.352 -2.512 8.810) 10.142 5.152 ( -1.216 9.790 10.272) 14.242 5.204 ( -5.720 3.062 0.500) 6.507 5.456 ( -1.758 5.062 -3.891) 6.622 5.799 ( 2.682 -3.654 -3.747) 5.881 5.981 ( 0.553 -1.859 -0.346) 1.970 6.404 ( -3.545 -1.110 -4.247) 5.642 6.468 ( -1.873 5.354 1.333) 5.826 6.987 ( -5.527 -4.213 -7.022) 9.879 7.327 ( -2.163 4.453 -2.290) 5.455 8.912 ( 4.212 -6.015 2.445) 7.739 9.044 ( 5.207 -5.951 8.996) 11.978 9.566 ( 10.389 2.957 -4.760) 11.804 10.335 ( -3.618 0.558 -0.302) 3.673 10.580 ( -6.003 1.417 -2.354) 6.602 10.652 ( 0.725 -0.590 -6.122) 6.193 10.727 ( 2.003 -2.848 1.921) 3.976 10.987 ( -8.143 4.004 -8.366) 12.342 11.150 ( -2.998 -5.000 -2.010) 6.167 11.602 ( 1.349 5.203 -1.415) 5.559 11.850 ( 5.278 -5.857 3.242) 8.525 12.141 ( -11.450 6.626 -7.577) 15.245 12.403 ( 9.896 7.177 3.156) 12.626 12.577 ( -7.277 0.459 6.611) 9.843 12.837 ( 4.262 -7.814 0.931) 8.950 13.060 ( -1.834 -0.026 4.896) 5.228 13.558 ( 0.286 -8.735 -3.881) 9.563 13.795 ( 11.173 -0.297 0.588) 11.192 14.294 ( -7.173 2.862 -5.111) 9.261 14.798 ( -5.391 7.036 7.224) 11.435 15.352 ( 1.568 10.231 -9.309) 13.921 16.404 ( 5.729 -11.523 8.266) 15.294 16.823 ( -0.315 1.289 7.276) 7.396 17.230 ( 1.969 -9.388 5.572) 11.093 17.835 ( 4.551 -0.126 -14.034) 14.754 18.014 ( -8.939 10.310 -2.717) 13.913 18.232 ( -6.073 -1.195 -8.113) 10.204 18.957 ( 1.724 -5.366 6.724) 8.774 19.388 ( 2.114 8.208 -6.555) 10.714 19.476 ( -4.380 6.021 6.921) 10.166 20.210 ( 5.347 -10.598 3.711) 12.437 20.910 ( -0.047 1.755 1.858) 2.556 21.111 ( -1.866 1.420 -0.485) 2.394 ======================= Grid point 102 (51/90) ======================= q-point: ( 0.38 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 5.076 -15.018 -4.791) 16.561 2.235 ( 12.179 -2.704 -0.949) 12.512 2.677 ( -3.212 -1.331 4.736) 5.875 2.709 ( -0.231 -2.349 1.489) 2.791 2.820 ( -0.356 2.555 5.080) 5.698 2.896 ( -1.402 -0.081 7.160) 7.297 3.198 ( -0.524 -0.037 -1.989) 2.057 3.219 ( 5.747 5.342 6.754) 10.353 3.495 ( -5.057 -5.907 -0.038) 7.776 3.718 ( -1.966 0.162 0.877) 2.159 3.911 ( -0.512 2.281 -8.546) 8.860 4.080 ( 5.290 -2.128 -4.058) 6.998 4.140 ( -6.586 -2.560 -9.119) 11.536 4.424 ( 13.203 0.826 0.744) 13.250 4.870 ( -7.229 -1.870 4.843) 8.900 5.189 ( -3.090 2.274 2.886) 4.801 5.364 ( -1.900 3.883 11.687) 12.461 5.460 ( 3.081 9.594 -2.653) 10.420 5.733 ( 2.776 -6.409 -5.303) 8.770 5.978 ( 0.085 -0.409 0.250) 0.487 6.269 ( -5.316 -1.239 -4.263) 6.926 6.488 ( -2.072 6.522 -1.233) 6.954 6.841 ( -1.210 -3.228 -2.900) 4.505 7.297 ( -1.938 5.143 -3.319) 6.420 8.888 ( 0.794 -3.929 -4.503) 6.029 9.120 ( 0.958 -4.354 0.591) 4.497 9.633 ( 10.921 2.101 -8.988) 14.300 10.322 ( -3.758 0.264 5.453) 6.628 10.465 ( -4.613 1.031 -4.017) 6.204 10.623 ( -0.498 0.939 1.320) 1.695 10.767 ( 0.676 0.587 -1.175) 1.477 10.842 ( -2.694 0.802 -2.427) 3.713 11.048 ( -2.363 -2.708 -1.935) 4.082 11.662 ( 4.981 3.135 -0.701) 5.927 11.898 ( -4.882 2.023 -0.052) 5.285 12.004 ( 1.218 1.184 -0.613) 1.806 12.510 ( -9.343 -4.714 5.487) 11.816 12.617 ( 7.224 5.024 1.752) 8.972 12.896 ( 4.263 -2.572 3.191) 5.914 13.100 ( -3.907 -3.328 7.465) 9.059 13.424 ( 0.677 -7.588 -6.007) 9.701 13.929 ( 7.739 -1.452 1.600) 8.034 14.184 ( -3.325 3.797 -3.987) 6.432 14.823 ( -6.401 6.564 0.495) 9.182 15.359 ( 2.005 9.272 -4.452) 10.479 16.509 ( 4.329 -7.474 8.835) 12.355 16.875 ( -0.852 -5.928 0.200) 5.992 17.231 ( 0.257 -5.563 1.926) 5.892 17.769 ( 5.081 0.216 -4.955) 7.100 17.898 ( -3.240 2.890 -6.471) 7.793 18.102 ( -7.412 7.753 -3.121) 11.171 19.022 ( 1.992 -0.489 0.985) 2.275 19.391 ( 1.509 2.110 1.620) 3.059 19.562 ( -3.670 3.825 6.323) 8.251 20.216 ( 2.414 -11.321 1.633) 11.691 20.971 ( 2.704 3.607 0.870) 4.591 21.076 ( -2.941 1.645 -1.871) 3.854 ======================= Grid point 103 (52/90) ======================= q-point: (-0.50 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 1.958 -8.189 2.868) 8.895 2.372 ( 10.134 -0.077 0.007) 10.134 2.568 ( -9.566 -2.631 -1.111) 9.984 2.679 ( 0.803 -6.141 -1.245) 6.318 2.906 ( -1.530 -2.669 1.768) 3.548 2.956 ( -3.517 -5.551 -1.114) 6.665 3.131 ( -0.180 3.586 6.953) 7.825 3.290 ( -2.637 -0.983 0.946) 2.969 3.534 ( 0.289 -0.727 -3.503) 3.590 3.695 ( 3.683 -3.449 -1.042) 5.152 3.846 ( 1.159 7.340 4.294) 8.582 3.973 ( -6.403 4.113 -2.542) 8.023 4.093 ( 6.948 -1.024 -4.786) 8.499 4.604 ( 9.233 3.364 -1.669) 9.968 4.776 ( -11.972 -3.855 3.667) 13.102 5.215 ( -0.884 -0.412 3.186) 3.332 5.425 ( 0.158 -1.634 -0.862) 1.854 5.587 ( 5.778 4.291 -2.581) 7.645 5.669 ( 0.486 -2.548 2.369) 3.513 5.977 ( -1.259 -0.024 0.831) 1.508 6.184 ( -0.961 1.668 -0.610) 2.019 6.485 ( -0.705 6.627 -3.247) 7.414 6.819 ( 1.849 -1.283 1.005) 2.465 7.265 ( -1.165 6.110 -4.326) 7.577 8.772 ( -2.980 -0.140 -7.063) 7.667 9.037 ( -1.185 -0.209 -8.285) 8.372 9.637 ( 8.187 0.755 -9.827) 12.812 10.371 ( -2.033 0.372 5.913) 6.264 10.396 ( -0.738 2.428 -2.697) 3.703 10.643 ( -4.551 0.017 3.488) 5.734 10.719 ( -0.524 4.747 -2.458) 5.372 10.829 ( -2.493 -2.224 1.640) 3.722 11.064 ( 5.867 -0.598 2.850) 6.550 11.754 ( 6.575 -0.008 0.945) 6.642 11.797 ( -8.512 5.863 -2.086) 10.544 12.124 ( 7.292 -0.772 4.919) 8.830 12.426 ( -7.308 -4.994 5.104) 10.217 12.744 ( 5.223 4.056 -0.420) 6.626 12.940 ( -1.028 -5.596 3.459) 6.659 13.063 ( -4.578 -7.756 0.038) 9.007 13.354 ( 1.766 -3.056 0.250) 3.538 14.021 ( 1.521 -1.305 4.654) 5.067 14.159 ( 0.951 5.461 -2.487) 6.076 14.780 ( -0.119 4.505 -5.596) 7.185 15.398 ( -2.838 9.416 0.428) 9.844 16.618 ( 0.429 -6.525 3.856) 7.591 16.759 ( 4.554 -11.427 -3.088) 12.683 17.171 ( -5.575 -1.030 -3.447) 6.635 17.773 ( -6.548 4.410 3.353) 8.577 17.898 ( 12.719 -0.248 -3.650) 13.235 18.051 ( -4.126 10.141 -2.539) 11.238 19.012 ( -1.360 0.378 -2.498) 2.869 19.524 ( 4.690 -0.730 9.592) 10.703 19.613 ( -2.270 0.196 4.746) 5.265 20.158 ( -0.534 -9.558 0.199) 9.575 20.999 ( -3.436 2.353 -4.533) 6.155 21.041 ( 2.542 2.285 -0.312) 3.432 ======================= Grid point 105 (53/90) ======================= q-point: (-0.38 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -2.562 -1.609 10.232) 10.669 2.379 ( -9.795 -4.881 0.439) 10.953 2.482 ( 4.377 1.066 -8.659) 9.760 2.547 ( 2.428 -7.457 -8.862) 11.834 2.799 ( -3.534 -3.336 5.445) 7.298 2.927 ( -2.391 -3.491 3.048) 5.214 3.220 ( -1.691 -4.600 -4.571) 6.702 3.310 ( -7.107 0.925 4.922) 8.695 3.371 ( 4.551 0.905 -1.126) 4.774 3.778 ( 4.962 -3.934 -0.818) 6.385 3.880 ( -3.293 6.401 -2.954) 7.781 4.076 ( 3.286 6.628 6.456) 9.819 4.170 ( 8.676 6.205 0.418) 10.674 4.526 ( -14.360 -4.280 0.365) 14.988 4.720 ( 1.282 -0.679 -2.531) 2.917 5.235 ( 0.344 -1.855 0.803) 2.051 5.363 ( 1.440 -6.232 -2.055) 6.718 5.590 ( 6.509 -2.272 -5.480) 8.807 5.755 ( -0.600 3.021 4.853) 5.748 5.966 ( -3.167 0.414 1.683) 3.610 6.232 ( 1.462 5.119 0.322) 5.333 6.508 ( 3.858 4.416 -1.438) 6.037 6.889 ( 3.623 1.403 3.967) 5.553 7.245 ( -0.144 7.253 -4.486) 8.529 8.626 ( -4.839 2.510 -7.512) 9.281 8.903 ( -1.131 2.464 -8.896) 9.300 9.592 ( 3.406 0.444 -8.156) 8.850 10.399 ( 2.770 5.057 -3.020) 6.509 10.434 ( 0.177 2.581 3.435) 4.300 10.589 ( -4.958 -2.018 1.094) 5.463 10.788 ( -0.439 -2.479 1.843) 3.120 10.811 ( -0.582 6.744 5.076) 8.461 11.191 ( 7.591 -1.004 1.107) 7.737 11.735 ( -6.050 4.130 1.798) 7.543 11.855 ( 6.114 -3.348 3.346) 7.732 12.254 ( 2.398 2.028 1.424) 3.449 12.419 ( 1.249 -2.174 5.008) 5.600 12.809 ( 2.255 2.134 -3.107) 4.392 12.837 ( -9.469 -7.375 1.162) 12.058 12.955 ( 1.445 -9.740 0.171) 9.848 13.364 ( -1.582 -0.826 0.903) 2.000 14.088 ( -2.533 -2.563 7.889) 8.673 14.218 ( 4.047 6.203 -0.547) 7.427 14.739 ( 4.851 2.790 -8.896) 10.510 15.450 ( -5.726 12.187 3.709) 13.967 16.464 ( -0.645 -16.402 -4.945) 17.143 16.823 ( 6.969 -3.655 1.372) 7.988 16.989 ( -8.615 -1.399 -6.096) 10.646 17.816 ( -2.284 9.259 4.656) 10.613 17.983 ( -2.490 6.170 0.800) 6.702 18.132 ( 12.782 3.708 -1.625) 13.408 18.938 ( -3.530 -2.254 -2.118) 4.693 19.615 ( -1.108 -3.880 2.880) 4.957 19.752 ( 5.821 1.452 9.141) 10.934 20.071 ( -3.451 -9.691 1.739) 10.433 20.887 ( -3.721 1.845 -6.428) 7.653 21.076 ( 1.904 2.046 -1.250) 3.062 ======================= Grid point 106 (54/90) ======================= q-point: (-0.25 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( -6.355 1.580 10.807) 12.637 2.217 ( -3.074 -2.850 -4.677) 6.280 2.295 ( 0.028 -4.095 -8.637) 9.559 2.529 ( 1.355 0.286 -4.020) 4.252 2.862 ( 1.355 -3.638 4.296) 5.790 2.923 ( -2.208 -5.226 6.473) 8.607 3.086 ( -1.231 -4.399 -0.956) 4.667 3.221 ( -4.180 -1.378 0.200) 4.406 3.487 ( -1.693 4.703 -1.953) 5.366 3.728 ( -1.046 2.232 -1.391) 2.831 3.903 ( 6.151 -0.680 -2.927) 6.846 4.143 ( -12.805 -2.705 4.451) 13.824 4.239 ( 1.939 1.251 -0.349) 2.334 4.503 ( 4.305 10.631 1.827) 11.614 4.615 ( 0.352 -8.012 -7.128) 10.729 5.227 ( 0.174 -2.105 1.080) 2.372 5.336 ( 0.193 -2.540 0.185) 2.554 5.607 ( 7.488 -3.315 -1.974) 8.423 5.795 ( -0.831 2.239 -1.390) 2.763 5.961 ( -3.354 1.354 3.745) 5.206 6.266 ( -0.198 4.981 -1.434) 5.187 6.590 ( 4.645 0.762 0.167) 4.710 7.051 ( 5.995 4.460 6.486) 9.895 7.253 ( 0.838 8.710 -3.755) 9.522 8.499 ( -3.321 0.986 -3.885) 5.205 8.812 ( -1.755 3.670 -4.763) 6.264 9.513 ( 0.237 0.083 -6.575) 6.580 10.428 ( -0.626 6.859 -3.033) 7.526 10.520 ( -4.240 -2.733 3.734) 6.276 10.542 ( 6.658 5.136 -0.769) 8.444 10.794 ( 3.107 -1.625 1.373) 3.765 10.983 ( 1.376 8.392 8.159) 11.785 11.249 ( 6.208 -2.155 -3.981) 7.683 11.726 ( -4.858 1.018 2.350) 5.491 11.951 ( 4.765 -7.355 5.708) 10.459 12.264 ( -0.262 1.533 -1.764) 2.352 12.515 ( 0.698 6.034 -0.613) 6.105 12.586 ( -9.499 -9.082 -2.432) 13.366 12.854 ( 3.509 4.611 -3.488) 6.763 12.961 ( 3.079 -11.614 9.057) 15.046 13.312 ( -5.772 0.866 -0.980) 5.918 14.092 ( -3.347 -7.419 2.067) 8.398 14.333 ( 5.889 6.092 0.638) 8.497 14.719 ( 3.606 2.426 -4.294) 6.110 15.516 ( -5.129 12.223 1.227) 13.312 16.290 ( -2.980 -14.859 0.720) 15.172 16.776 ( -5.617 3.550 -5.625) 8.706 16.898 ( 7.273 -9.892 -0.777) 12.302 17.949 ( -2.814 18.194 -1.854) 18.503 18.032 ( 0.733 6.031 7.762) 9.857 18.310 ( 13.049 -0.657 -0.753) 13.088 18.839 ( -3.700 -4.317 -0.803) 5.742 19.587 ( 2.144 -7.774 -1.802) 8.263 19.830 ( -8.647 4.115 -4.053) 10.398 20.053 ( 2.264 -11.686 12.626) 17.352 20.782 ( -1.825 2.747 -4.568) 5.634 21.095 ( 1.289 1.879 -0.958) 2.472 ======================= Grid point 107 (55/90) ======================= q-point: (-0.12 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 4.754 2.744 -1.226) 5.624 2.158 ( 0.699 -2.626 -4.234) 5.031 2.211 ( 1.331 -0.135 -0.247) 1.360 2.462 ( -7.250 -3.330 3.229) 8.607 2.814 ( -2.339 -3.356 -3.071) 5.115 2.964 ( -1.066 -5.309 7.805) 9.499 3.160 ( -3.554 -0.180 -0.916) 3.674 3.189 ( 5.672 -0.202 7.822) 9.665 3.363 ( -4.210 2.033 -6.129) 7.709 3.750 ( -0.607 1.624 -1.782) 2.486 3.909 ( 4.534 -4.087 -4.906) 7.831 4.012 ( -10.616 -1.390 8.653) 13.766 4.308 ( 3.618 1.988 -0.397) 4.147 4.391 ( -3.925 -9.066 -4.433) 10.828 4.687 ( 7.608 8.550 -3.338) 11.921 5.242 ( -1.182 1.847 0.701) 2.302 5.323 ( -1.055 -0.708 0.798) 1.501 5.655 ( 2.988 -7.633 1.921) 8.419 5.749 ( 0.478 5.588 -5.637) 7.952 5.999 ( -0.737 0.709 3.251) 3.408 6.289 ( 0.088 4.933 -0.019) 4.934 6.617 ( 1.070 -1.902 -0.938) 2.375 7.240 ( 3.746 6.052 2.613) 7.583 7.294 ( 2.144 7.181 -1.099) 7.574 8.471 ( 0.428 -2.760 4.008) 4.885 8.782 ( -1.478 3.049 -0.129) 3.391 9.435 ( 0.903 -0.118 -5.055) 5.137 10.390 ( -4.303 2.226 -0.756) 4.903 10.510 ( 2.718 1.289 -1.649) 3.431 10.712 ( 5.865 6.084 3.922) 9.316 10.875 ( 5.820 0.093 1.106) 5.925 11.160 ( 1.829 9.311 0.674) 9.512 11.236 ( 4.143 -1.727 -1.942) 4.890 11.653 ( -4.211 -2.389 -2.357) 5.384 11.994 ( -0.743 -12.433 4.456) 13.228 12.243 ( -0.846 1.284 -4.918) 5.153 12.321 ( -10.540 1.398 -0.596) 10.649 12.597 ( 2.367 1.902 0.062) 3.037 12.899 ( 4.627 4.548 -2.863) 7.092 13.088 ( 4.738 -7.658 8.511) 12.391 13.217 ( -6.858 2.140 0.493) 7.201 13.952 ( -2.656 -7.800 -6.132) 10.272 14.464 ( 5.540 5.726 -0.236) 7.971 14.730 ( -0.328 -4.563 2.419) 5.175 15.512 ( -3.810 10.373 -5.058) 12.153 16.174 ( -9.411 -6.192 6.206) 12.862 16.761 ( 5.895 -0.887 1.970) 6.278 16.889 ( 4.686 -8.694 -1.453) 9.983 17.969 ( -4.444 18.369 -5.191) 19.599 18.267 ( 1.802 8.136 7.053) 10.917 18.414 ( 11.368 -1.241 -3.414) 11.935 18.798 ( -0.158 -3.605 4.760) 5.974 19.437 ( -1.201 -15.699 -11.342) 19.405 19.655 ( -11.718 4.831 -0.115) 12.676 20.157 ( 1.820 -6.204 5.668) 8.598 20.775 ( -0.013 2.388 2.168) 3.225 21.114 ( 0.875 1.544 -0.470) 1.836 ======================= Grid point 111 (56/90) ======================= q-point: ( 0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 14.962 -15.955 -5.254) 22.495 1.823 ( 18.970 -7.386 -2.280) 20.485 2.561 ( 8.919 1.808 5.465) 10.615 2.748 ( -0.556 0.071 2.194) 2.265 2.861 ( -0.760 -2.615 3.061) 4.097 2.918 ( -1.003 -0.799 0.673) 1.448 3.087 ( 2.468 6.986 1.521) 7.564 3.336 ( -5.904 -2.172 5.575) 8.405 3.584 ( -0.353 -5.090 0.086) 5.103 3.667 ( 7.890 4.704 1.482) 9.305 3.884 ( 0.523 2.898 -10.357) 10.767 3.987 ( 1.984 -4.253 4.915) 6.796 4.078 ( 0.847 -1.128 1.369) 1.965 4.444 ( -10.358 0.077 -11.375) 15.385 4.968 ( -0.440 -0.257 2.622) 2.671 5.293 ( 3.031 11.879 -0.245) 12.263 5.310 ( -2.013 -3.909 4.510) 6.298 5.480 ( -5.386 0.166 0.682) 5.432 5.718 ( 0.214 -2.466 -1.631) 2.965 5.952 ( 1.352 0.259 -1.039) 1.724 6.408 ( -2.177 -2.345 -0.635) 3.262 6.569 ( -4.767 6.207 0.065) 7.827 6.982 ( -9.118 -0.328 -3.974) 9.951 7.355 ( -2.188 3.518 -2.427) 4.802 8.805 ( 4.823 -0.854 -4.027) 6.342 9.051 ( 4.730 -8.148 8.183) 12.479 9.290 ( 13.428 0.310 -10.365) 16.966 10.419 ( -2.700 1.509 -0.103) 3.095 10.594 ( 0.468 3.603 1.500) 3.930 10.635 ( -6.248 1.430 -4.439) 7.797 10.756 ( -1.971 -1.015 4.060) 4.626 10.980 ( -6.048 3.792 -10.920) 13.047 11.200 ( -8.697 -3.639 2.235) 9.689 11.613 ( -0.055 1.589 -0.445) 1.651 11.868 ( -0.677 -2.000 8.777) 9.027 12.226 ( -10.363 4.646 -7.456) 13.585 12.368 ( 8.743 5.015 3.103) 10.546 12.710 ( 8.697 -3.161 0.284) 9.258 12.735 ( -5.541 -1.739 3.085) 6.576 13.143 ( 1.690 2.010 4.662) 5.350 13.457 ( -3.344 -13.478 0.319) 13.891 13.620 ( 13.998 0.749 -1.536) 14.102 14.360 ( -8.567 2.823 -3.590) 9.708 14.947 ( 12.928 2.895 5.241) 14.247 15.249 ( -10.195 5.548 -8.687) 14.498 16.437 ( 0.416 -2.412 8.023) 8.388 17.002 ( -7.369 0.787 7.203) 10.335 17.178 ( 5.641 -6.704 1.611) 8.909 17.589 ( 1.821 2.533 -13.682) 14.033 18.072 ( -6.168 -1.770 -3.684) 7.399 18.280 ( -3.214 6.586 -1.105) 7.411 18.960 ( 2.050 -3.229 2.027) 4.329 19.307 ( 5.768 2.841 -2.906) 7.056 19.681 ( -5.855 3.567 5.493) 8.785 20.145 ( 2.479 -7.787 5.664) 9.943 20.912 ( 1.732 1.671 -1.066) 2.632 21.141 ( -1.856 1.087 -0.893) 2.329 ======================= Grid point 112 (57/90) ======================= q-point: ( 0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 10.511 -9.260 2.399) 14.212 2.029 ( 16.348 -2.189 2.077) 16.624 2.644 ( -0.102 -4.635 -4.304) 6.326 2.727 ( -1.205 0.981 -0.230) 1.571 2.898 ( 3.759 -4.801 2.083) 6.444 2.945 ( -0.829 -0.652 5.189) 5.295 3.203 ( 0.963 -0.540 2.372) 2.617 3.329 ( -0.794 5.454 3.083) 6.315 3.520 ( -5.093 -4.471 1.479) 6.937 3.779 ( -0.863 1.255 -8.898) 9.028 3.811 ( 1.033 5.555 2.652) 6.242 3.909 ( 1.347 -5.778 -5.912) 8.376 4.195 ( 0.713 3.929 2.294) 4.605 4.271 ( 4.478 -0.694 0.871) 4.614 4.962 ( -1.875 -1.961 -0.773) 2.821 5.271 ( -2.385 -5.056 2.662) 6.192 5.383 ( 3.894 10.806 -5.544) 12.754 5.455 ( -1.121 -5.367 -0.222) 5.487 5.714 ( -1.417 1.081 4.557) 4.893 5.966 ( 1.061 0.809 -0.401) 1.393 6.302 ( -6.378 -0.595 -2.710) 6.955 6.562 ( -2.740 4.748 -0.674) 5.523 6.866 ( -6.433 2.442 0.953) 6.946 7.313 ( -2.194 4.447 -3.730) 6.205 8.788 ( 2.073 2.123 -5.703) 6.428 9.050 ( 0.830 -2.550 -7.250) 7.730 9.345 ( 11.708 -1.629 -4.804) 12.760 10.417 ( -1.641 1.667 0.203) 2.348 10.477 ( -4.268 0.399 -4.328) 6.092 10.704 ( 0.466 6.429 3.034) 7.124 10.786 ( -2.501 -0.523 3.812) 4.589 10.839 ( -0.713 0.184 -1.449) 1.626 11.096 ( -7.757 0.040 0.741) 7.793 11.636 ( 1.824 -0.065 1.374) 2.285 11.967 ( 0.270 -4.834 9.434) 10.604 12.048 ( -7.664 5.237 -4.878) 10.486 12.551 ( 8.640 3.523 -0.149) 9.332 12.630 ( -5.401 -6.236 2.295) 8.564 12.833 ( 6.019 0.870 -0.758) 6.129 13.244 ( -4.866 -5.257 8.885) 11.413 13.303 ( 0.015 -5.391 -3.296) 6.319 13.806 ( 13.085 -0.632 2.304) 13.302 14.241 ( -6.710 4.562 -2.173) 8.400 15.001 ( -15.088 5.969 -3.655) 16.632 15.220 ( 15.582 1.101 -1.092) 15.659 16.550 ( 1.981 0.351 6.564) 6.865 16.828 ( -7.444 -11.755 -6.848) 15.508 17.293 ( 1.823 0.611 6.681) 6.952 17.515 ( 7.792 3.872 -10.983) 14.012 17.964 ( -7.242 -1.363 3.696) 8.244 18.247 ( -6.673 9.771 -2.837) 12.168 18.999 ( 2.634 1.504 -0.894) 3.162 19.392 ( 5.968 -1.784 4.288) 7.562 19.672 ( -3.582 -3.768 2.995) 6.000 20.174 ( -0.629 -6.235 4.363) 7.636 20.956 ( 3.217 3.760 -1.418) 5.147 21.092 ( -2.708 0.964 -2.909) 4.090 ======================= Grid point 113 (58/90) ======================= q-point: ( 0.50 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 6.048 0.217 9.820) 11.535 2.242 ( 11.219 0.597 2.190) 11.446 2.485 ( 0.115 -6.823 -11.450) 13.329 2.631 ( -5.701 -2.845 -4.909) 8.043 2.904 ( -0.260 -9.625 2.542) 9.958 2.999 ( -2.285 -2.884 5.476) 6.597 3.201 ( 2.031 0.413 0.805) 2.223 3.367 ( -7.922 -2.770 -3.891) 9.251 3.450 ( 3.179 1.193 -3.117) 4.609 3.622 ( -1.162 -2.682 0.394) 2.949 3.899 ( 6.743 2.162 -2.468) 7.499 3.982 ( 2.167 8.861 6.866) 11.417 4.178 ( -9.231 9.071 2.718) 13.225 4.452 ( 11.730 -2.232 0.072) 11.940 4.862 ( -1.775 -6.636 -4.054) 7.977 5.241 ( -1.091 -4.578 0.444) 4.727 5.340 ( -1.700 -8.016 -2.909) 8.695 5.463 ( 2.794 6.857 -0.332) 7.411 5.785 ( -0.905 2.484 3.963) 4.763 5.975 ( 0.871 0.340 -0.521) 1.070 6.232 ( -1.114 2.189 0.849) 2.598 6.532 ( -4.807 5.577 -2.265) 7.703 6.869 ( -2.598 3.030 4.625) 6.109 7.269 ( -1.530 6.190 -4.603) 7.864 8.736 ( -2.250 3.194 -5.080) 6.409 8.894 ( 1.243 2.010 -14.281) 14.475 9.420 ( 7.619 -0.601 -2.212) 7.957 10.364 ( -1.009 0.582 -3.034) 3.250 10.448 ( -0.509 4.464 -0.771) 4.559 10.709 ( -1.409 4.124 -3.345) 5.494 10.841 ( -3.410 -1.897 5.688) 6.898 10.889 ( -1.442 1.954 7.379) 7.768 11.055 ( -1.179 2.160 1.846) 3.077 11.696 ( 4.435 -1.221 1.890) 4.973 11.937 ( -7.891 5.914 -0.153) 9.863 12.100 ( 5.302 -5.580 7.660) 10.859 12.518 ( -4.801 -3.736 -0.603) 6.113 12.679 ( 5.623 1.154 0.195) 5.743 12.865 ( 4.781 -4.782 -2.639) 7.259 13.091 ( -8.700 -10.779 1.668) 13.952 13.364 ( 1.392 1.649 2.002) 2.943 14.015 ( 9.773 -0.981 6.815) 11.954 14.208 ( -3.271 6.917 0.560) 7.672 14.781 ( -9.885 3.762 -8.902) 13.824 15.412 ( 9.270 3.804 2.136) 10.245 16.509 ( -3.829 -16.868 -7.148) 18.716 16.683 ( 2.640 3.500 1.616) 4.672 17.303 ( -13.051 2.297 3.117) 13.613 17.569 ( 18.665 0.117 -8.660) 20.576 17.974 ( -5.517 2.721 8.834) 10.764 18.199 ( -6.544 11.564 -2.449) 13.511 19.001 ( -0.572 0.540 -2.327) 2.457 19.563 ( 8.333 -3.114 8.918) 12.597 19.620 ( -0.920 -8.812 0.831) 8.899 20.170 ( -3.114 -3.044 4.169) 6.029 20.952 ( -0.069 1.447 -7.624) 7.760 21.045 ( -0.606 2.151 0.004) 2.235 ======================= Grid point 114 (59/90) ======================= q-point: (-0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 1.042 1.335 7.979) 8.157 2.228 ( -1.646 -6.185 -10.901) 12.641 2.313 ( 1.907 -4.265 -9.519) 10.604 2.521 ( 0.294 1.238 1.464) 1.940 2.868 ( -1.216 -5.211 4.107) 6.746 2.985 ( -4.180 -7.646 5.971) 10.564 3.165 ( -3.053 -2.898 -3.245) 5.315 3.292 ( 2.082 -2.131 -1.446) 3.312 3.445 ( 3.217 3.864 -2.131) 5.461 3.670 ( 2.619 -0.351 3.355) 4.271 3.929 ( -3.911 5.252 -3.548) 7.448 4.132 ( 1.967 3.300 2.433) 4.547 4.226 ( -0.216 6.550 0.305) 6.560 4.426 ( 2.976 -5.107 -6.973) 9.141 4.805 ( -2.329 -2.582 3.355) 4.832 5.174 ( 0.121 -4.371 -0.355) 4.387 5.282 ( 1.992 -4.903 0.539) 5.320 5.507 ( -1.029 0.520 0.688) 1.343 5.814 ( -1.313 1.711 -0.106) 2.160 5.988 ( 1.946 0.641 -0.596) 2.133 6.331 ( 1.369 6.841 5.419) 8.834 6.470 ( -1.991 2.518 -3.146) 4.495 6.962 ( 0.596 3.960 6.750) 7.848 7.248 ( -0.399 8.220 -4.241) 9.258 8.613 ( -5.119 1.815 -7.027) 8.882 8.796 ( 3.486 5.050 -8.138) 10.192 9.453 ( 3.053 -0.400 -3.210) 4.448 10.359 ( 3.026 3.099 -1.360) 4.540 10.482 ( -0.715 6.971 0.165) 7.009 10.697 ( -2.817 4.009 1.328) 5.077 10.784 ( -3.835 -2.918 -1.706) 5.112 11.005 ( -2.337 3.952 8.432) 9.601 11.109 ( 2.343 0.465 1.365) 2.752 11.776 ( 5.515 -1.140 0.578) 5.661 11.918 ( -6.829 5.850 4.854) 10.219 12.228 ( 6.309 -5.213 4.387) 9.286 12.421 ( -1.767 -4.197 -1.579) 4.820 12.743 ( 3.966 1.043 -1.403) 4.335 12.806 ( 0.717 -5.181 -5.582) 7.649 12.970 ( -6.253 -10.266 7.625) 14.235 13.382 ( 0.113 1.700 -2.225) 2.803 14.191 ( 0.110 -5.417 8.419) 10.012 14.262 ( -0.658 8.733 2.234) 9.038 14.582 ( 0.427 1.449 -10.968) 11.072 15.577 ( 3.855 10.599 0.729) 11.302 16.273 ( 0.598 -18.836 -1.866) 18.938 16.751 ( 3.163 2.603 -1.247) 4.282 17.123 ( -17.760 0.872 -0.072) 17.782 17.731 ( 18.543 0.074 -3.741) 18.916 18.060 ( -2.790 9.989 1.461) 10.474 18.212 ( -4.577 8.508 5.631) 11.182 18.931 ( -2.987 -2.748 -2.821) 4.943 19.528 ( 1.462 -12.459 -2.670) 12.826 19.789 ( 7.710 -0.038 8.204) 11.258 20.169 ( -5.874 -2.795 7.494) 9.924 20.816 ( -1.045 -0.260 -9.561) 9.621 21.068 ( 0.510 2.533 -0.004) 2.584 ======================= Grid point 115 (60/90) ======================= q-point: (-0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 1.732 -9.894 -18.114) 20.712 2.092 ( 2.311 -8.284 -15.937) 18.109 2.274 ( -2.335 5.590 11.193) 12.727 2.607 ( -1.121 3.654 6.462) 7.508 2.874 ( -3.058 -5.529 2.671) 6.859 3.013 ( 1.700 -2.726 8.483) 9.071 3.112 ( -2.633 -2.823 4.013) 5.568 3.242 ( -1.342 -3.210 -0.849) 3.581 3.444 ( 2.927 0.123 -13.141) 13.463 3.693 ( -3.623 -3.854 1.984) 5.649 3.882 ( 1.184 6.664 -1.532) 6.940 4.064 ( 2.223 -9.792 -10.791) 14.740 4.193 ( 3.535 2.828 -2.481) 5.162 4.537 ( 2.755 11.011 4.638) 12.261 4.719 ( -13.859 -4.470 4.737) 15.313 5.214 ( 3.641 1.361 -0.014) 3.887 5.325 ( 3.046 -3.505 6.038) 7.617 5.493 ( 1.764 -1.559 -1.049) 2.577 5.777 ( -1.075 0.172 -3.698) 3.854 6.018 ( 1.709 1.105 -0.044) 2.035 6.357 ( -6.806 4.490 0.309) 8.160 6.537 ( 5.641 1.829 2.540) 6.451 7.124 ( 3.572 4.931 7.169) 9.405 7.265 ( 0.580 9.504 -3.334) 10.088 8.499 ( -2.220 0.738 -2.451) 3.388 8.798 ( 1.543 3.497 -1.950) 4.291 9.400 ( 0.540 -1.551 -6.381) 6.589 10.442 ( 3.686 6.446 0.065) 7.426 10.533 ( -0.814 6.556 1.143) 6.704 10.645 ( -6.758 0.618 -0.657) 6.818 10.775 ( 1.850 2.322 2.869) 4.128 11.079 ( 3.350 0.664 -3.632) 4.986 11.182 ( -0.785 4.656 7.463) 8.831 11.797 ( -1.221 0.069 -3.133) 3.363 11.949 ( -3.013 -2.795 6.240) 7.472 12.262 ( 0.087 -2.694 1.142) 2.928 12.444 ( 8.778 -2.100 0.695) 9.053 12.653 ( -9.519 1.754 -5.494) 11.130 12.772 ( 4.117 2.138 -3.449) 5.781 12.981 ( 0.941 -12.223 10.478) 16.127 13.352 ( -0.753 1.747 -2.661) 3.271 14.075 ( -8.632 -5.974 -7.329) 12.803 14.364 ( 0.801 7.061 2.896) 7.674 14.574 ( 9.752 -7.232 -0.994) 12.182 15.667 ( -3.219 18.913 -4.648) 19.740 16.235 ( 5.867 -20.168 11.342) 23.871 16.775 ( 2.702 3.393 -4.086) 5.959 16.889 ( -16.579 -1.038 1.090) 16.647 17.945 ( 17.018 3.201 -2.208) 17.457 18.080 ( -1.126 12.002 -4.146) 12.748 18.344 ( -3.462 6.936 9.152) 11.994 18.822 ( -2.104 -5.263 -2.225) 6.089 19.391 ( 1.854 -14.121 -5.970) 15.442 19.922 ( -1.268 5.560 -0.770) 5.754 20.183 ( -6.611 -7.807 11.985) 15.757 20.715 ( 3.988 -0.421 -5.144) 6.523 21.094 ( 0.479 2.397 0.089) 2.446 ======================= Grid point 116 (61/90) ======================= q-point: (-0.12 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 14.278 -5.582 -18.167) 23.771 1.843 ( 7.467 -11.607 -17.081) 21.960 2.414 ( -4.152 2.315 10.385) 11.421 2.674 ( -8.785 -1.121 5.340) 10.342 2.776 ( -1.820 -2.233 -3.079) 4.216 3.115 ( -5.274 -3.203 6.248) 8.781 3.151 ( 2.224 1.218 -2.329) 3.443 3.208 ( 2.780 -3.666 -4.089) 6.155 3.279 ( 5.010 -6.287 4.850) 9.388 3.692 ( 0.322 -1.962 2.113) 2.901 3.772 ( -3.481 -6.093 -7.455) 10.238 4.076 ( 3.067 5.247 1.695) 6.310 4.198 ( 4.006 4.094 -7.518) 9.451 4.595 ( -12.058 -3.064 8.869) 15.279 4.701 ( 1.203 11.355 3.366) 11.904 5.221 ( -0.167 -1.660 -2.712) 3.184 5.400 ( -3.615 1.179 4.812) 6.133 5.556 ( 8.589 -1.598 0.933) 8.786 5.705 ( 0.010 0.514 -4.687) 4.715 6.030 ( -0.048 -0.166 -0.706) 0.726 6.334 ( -0.305 1.057 0.788) 1.353 6.613 ( -1.382 2.688 1.823) 3.530 7.278 ( 1.692 6.854 0.256) 7.064 7.319 ( 2.033 5.927 1.427) 6.426 8.513 ( 1.130 -2.444 6.200) 6.760 8.818 ( -0.068 0.558 0.887) 1.050 9.293 ( 2.777 -2.304 -8.843) 9.551 10.492 ( -1.345 4.032 -2.380) 4.872 10.516 ( -6.655 5.821 2.068) 9.080 10.721 ( 8.563 2.654 4.337) 9.958 10.871 ( 0.306 5.717 3.400) 6.659 11.032 ( 2.520 -0.842 -7.344) 7.810 11.331 ( 0.648 8.869 5.018) 10.210 11.655 ( -6.292 -2.814 -5.359) 8.731 11.966 ( 0.136 -9.773 4.700) 10.845 12.248 ( -5.015 2.252 -2.139) 5.899 12.441 ( -6.896 -2.449 -0.483) 7.334 12.587 ( 3.137 8.231 -0.600) 8.829 12.813 ( 5.752 1.739 -2.132) 6.376 13.071 ( 5.012 -10.276 8.285) 14.119 13.319 ( -4.330 2.374 -0.189) 4.942 13.790 ( -2.288 -4.675 -14.143) 15.070 14.460 ( 2.504 3.723 1.385) 4.696 14.592 ( 7.268 -15.479 -0.239) 17.102 15.678 ( -9.067 22.031 -4.175) 24.187 16.336 ( -1.524 -17.646 14.846) 23.110 16.735 ( -2.186 -0.116 2.042) 2.994 16.823 ( 1.181 3.080 1.076) 3.469 18.037 ( 1.308 15.697 -8.853) 18.069 18.215 ( 11.832 -1.517 -0.143) 11.929 18.396 ( -4.870 5.907 0.693) 7.687 18.814 ( 4.612 -2.004 5.005) 7.095 19.194 ( -0.677 -15.300 -7.199) 16.922 19.829 ( -11.757 4.982 -3.279) 13.184 20.180 ( -2.606 -5.621 3.342) 7.040 20.786 ( 6.123 -1.722 4.574) 7.834 21.118 ( 0.206 1.957 0.221) 1.980 ======================= Grid point 119 (62/90) ======================= q-point: ( 0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 17.578 -10.176 4.147) 20.730 1.514 ( 21.882 -6.069 6.060) 23.502 2.529 ( 17.979 -3.466 14.014) 23.057 2.709 ( 1.025 -0.855 -7.020) 7.146 2.802 ( 3.144 -5.603 1.539) 6.607 2.962 ( -3.372 0.320 3.028) 4.544 3.097 ( 2.964 5.111 -2.860) 6.564 3.374 ( 2.706 -1.908 1.436) 3.609 3.538 ( -0.136 -2.217 -4.965) 5.439 3.735 ( 0.870 2.311 -7.822) 8.202 3.774 ( 0.115 6.941 6.473) 9.492 3.963 ( -1.063 -5.504 -0.041) 5.606 4.135 ( -9.107 -1.762 -2.765) 9.679 4.553 ( -14.622 6.051 0.296) 15.827 4.928 ( 2.709 -3.046 -2.965) 5.041 5.300 ( 0.528 1.149 -2.455) 2.762 5.354 ( 0.115 3.544 1.113) 3.716 5.546 ( -5.141 -2.635 -0.428) 5.793 5.680 ( 3.949 -1.150 0.426) 4.135 5.945 ( 1.019 2.310 1.165) 2.780 6.376 ( 3.835 -2.671 0.418) 4.692 6.675 ( -9.199 2.373 -2.839) 9.915 7.118 ( -10.592 4.737 1.254) 11.670 7.366 ( -1.563 3.221 -3.334) 4.892 8.683 ( 5.239 4.411 -6.167) 9.216 8.941 ( 7.367 -3.290 -6.992) 10.676 9.086 ( 7.826 -6.440 8.102) 12.975 10.433 ( -0.947 1.192 0.234) 1.540 10.647 ( -6.234 -0.743 -5.285) 8.207 10.688 ( -2.020 5.822 1.375) 6.314 10.863 ( -6.019 2.154 2.577) 6.893 10.933 ( -3.399 1.760 -6.180) 7.270 11.342 ( -9.543 -1.235 1.737) 9.778 11.613 ( 0.047 -1.737 1.202) 2.113 12.034 ( -2.447 0.922 8.093) 8.505 12.265 ( -8.341 -1.797 -7.103) 11.102 12.369 ( 1.857 2.691 6.466) 7.246 12.563 ( 7.221 0.303 -2.674) 7.707 12.788 ( -0.483 1.052 -1.411) 1.825 13.152 ( 6.593 4.070 0.954) 7.807 13.414 ( 11.405 3.125 -4.254) 12.567 13.484 ( -4.047 -17.807 12.611) 22.192 14.459 ( -8.505 2.838 -1.984) 9.183 14.663 ( 24.862 -3.422 -1.197) 25.125 15.512 ( -22.659 8.398 0.286) 24.167 16.544 ( -0.859 1.288 6.676) 6.853 16.927 ( 13.190 -2.990 -14.038) 19.493 17.119 ( -9.509 -8.306 -5.185) 13.649 17.608 ( -6.280 10.904 5.719) 13.822 18.104 ( -1.919 1.160 -0.060) 2.243 18.338 ( -0.131 1.411 3.453) 3.733 18.912 ( 1.999 -0.972 -2.761) 3.544 19.189 ( 9.263 -2.636 0.065) 9.631 19.825 ( -7.233 -2.027 2.736) 7.994 20.186 ( -0.122 -4.354 7.553) 8.719 20.864 ( 3.952 4.245 -4.434) 7.301 21.145 ( -1.357 0.488 -2.224) 2.651 ======================= Grid point 120 (63/90) ======================= q-point: ( 0.38 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 13.387 0.836 11.784) 17.854 1.866 ( 17.266 -0.876 9.273) 19.618 2.538 ( -3.582 -1.839 -11.252) 11.951 2.732 ( -2.256 0.492 -3.149) 3.904 2.804 ( 5.313 -11.797 5.368) 14.008 3.041 ( -0.153 -0.254 7.685) 7.691 3.184 ( 4.488 -0.085 1.221) 4.652 3.316 ( 0.853 0.939 -6.854) 6.970 3.486 ( 4.393 -0.580 -9.996) 10.934 3.723 ( -0.155 0.242 4.315) 4.325 3.789 ( -3.185 -8.272 -6.156) 10.792 3.960 ( -0.024 9.718 8.042) 12.614 4.112 ( 7.428 -1.452 4.140) 8.627 4.460 ( -12.027 8.453 2.669) 14.941 4.832 ( 1.627 -8.002 -9.730) 12.703 5.247 ( 0.322 -4.375 -0.142) 4.389 5.421 ( -3.084 -4.008 -0.498) 5.082 5.464 ( -1.870 9.915 1.376) 10.183 5.740 ( 4.034 -0.952 0.730) 4.209 5.990 ( -1.040 2.101 2.016) 3.092 6.329 ( -4.626 -0.406 -3.359) 5.731 6.596 ( -1.015 0.919 -0.167) 1.380 7.061 ( -10.555 6.891 3.790) 13.162 7.316 ( -1.870 4.252 -4.403) 6.400 8.682 ( 5.148 5.054 -9.102) 11.614 8.874 ( 1.239 -2.250 -7.694) 8.111 9.244 ( 5.786 -1.473 6.287) 8.670 10.440 ( -0.058 1.778 -0.062) 1.780 10.473 ( -6.923 -1.615 -4.052) 8.182 10.735 ( 0.387 8.025 -4.247) 9.088 10.833 ( -1.129 1.473 0.137) 1.861 10.921 ( -1.078 1.005 7.671) 7.812 11.232 ( -8.926 2.664 -0.406) 9.324 11.638 ( 0.997 -3.954 3.592) 5.434 12.084 ( -1.509 -2.024 2.047) 3.250 12.120 ( -6.793 -2.150 4.554) 8.456 12.456 ( 3.617 0.144 -1.929) 4.101 12.600 ( 4.259 -3.323 -0.506) 5.425 12.789 ( 0.748 4.792 -1.903) 5.210 13.235 ( 2.641 -1.582 -1.715) 3.524 13.338 ( -2.665 -6.731 0.960) 7.303 13.700 ( 10.775 -1.628 10.517) 15.144 14.357 ( -7.471 5.291 -0.710) 9.183 14.888 ( 16.358 -1.715 -5.788) 17.437 15.317 ( -16.583 4.358 4.697) 17.778 16.607 ( -1.799 -8.013 2.016) 8.456 16.726 ( -5.176 -0.881 -10.283) 11.546 17.042 ( 17.513 -1.971 -9.369) 19.960 17.671 ( -12.635 9.065 7.814) 17.403 18.125 ( -4.138 0.430 7.730) 8.778 18.333 ( -3.791 8.702 -4.298) 10.420 18.931 ( 5.315 1.705 -3.478) 6.577 19.316 ( 10.282 -6.414 5.387) 13.262 19.729 ( -7.210 -7.438 2.567) 10.672 20.220 ( -0.814 -4.132 3.989) 5.801 20.892 ( 3.976 4.351 -5.706) 8.203 21.095 ( -2.141 0.960 -1.642) 2.864 ======================= Grid point 121 (64/90) ======================= q-point: ( 0.50 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 7.859 6.755 12.851) 16.509 2.164 ( 9.601 0.283 6.108) 11.383 2.293 ( -3.676 -4.033 -12.456) 13.599 2.569 ( -3.922 -4.849 -8.190) 10.294 2.851 ( 3.205 -8.849 3.763) 10.136 3.096 ( -3.136 -4.966 5.040) 7.739 3.133 ( 2.268 -2.890 -3.240) 4.898 3.317 ( 1.334 -1.117 -5.829) 6.083 3.339 ( -0.358 2.574 -8.023) 8.433 3.699 ( -3.179 -1.832 3.081) 4.791 3.865 ( 6.285 5.533 5.693) 10.126 4.111 ( 0.166 4.987 3.545) 6.121 4.261 ( 4.936 -4.125 -1.045) 6.517 4.439 ( -7.550 7.608 2.874) 11.097 4.640 ( 6.479 -8.564 -6.938) 12.785 5.236 ( -0.367 -2.593 0.686) 2.707 5.321 ( -3.913 -3.802 -0.377) 5.469 5.569 ( -2.605 6.546 5.777) 9.111 5.784 ( 4.563 -0.878 -1.042) 4.762 5.990 ( -2.695 1.345 -0.560) 3.064 6.251 ( -0.805 1.900 -1.119) 2.347 6.600 ( -2.016 1.850 0.562) 2.793 7.050 ( -7.855 6.481 5.132) 11.404 7.270 ( -1.228 6.289 -4.675) 7.932 8.648 ( 6.358 2.512 -11.480) 13.362 8.750 ( -4.341 1.010 -4.181) 6.111 9.379 ( 2.818 0.989 4.258) 5.201 10.354 ( -3.083 -0.584 -1.777) 3.606 10.477 ( 1.534 4.459 1.334) 4.900 10.700 ( -1.375 5.328 -5.046) 7.466 10.877 ( 1.649 2.015 1.298) 2.909 11.024 ( -3.815 3.087 3.810) 6.213 11.179 ( -2.804 4.638 3.627) 6.521 11.667 ( 1.832 -4.246 2.559) 5.285 12.065 ( -2.869 4.639 0.938) 5.534 12.139 ( -2.176 -9.633 10.059) 14.097 12.417 ( 4.119 -2.661 -8.555) 9.861 12.634 ( 4.303 -3.402 1.141) 5.603 12.799 ( -2.670 3.444 -0.712) 4.416 13.145 ( -5.585 -9.027 2.435) 10.890 13.324 ( 4.275 1.586 -5.332) 7.016 13.972 ( 10.876 -3.626 10.265) 15.389 14.340 ( -4.305 8.430 1.691) 9.615 14.805 ( -8.843 1.035 -10.327) 13.635 15.368 ( 5.812 1.368 7.009) 9.207 16.340 ( -4.838 -16.182 -7.258) 18.383 16.718 ( -0.599 7.947 -1.196) 8.059 17.186 ( 21.462 -2.262 -5.314) 22.225 17.610 ( -18.082 5.288 5.052) 19.505 18.177 ( -5.874 2.398 5.056) 8.112 18.320 ( -2.109 13.013 -1.106) 13.229 18.938 ( 3.319 -0.299 -5.009) 6.017 19.502 ( 8.114 -10.762 8.930) 16.168 19.610 ( -2.970 -6.049 1.353) 6.873 20.239 ( 0.385 -2.062 3.076) 3.723 20.836 ( -0.039 0.943 -8.989) 9.039 21.078 ( -1.185 2.171 0.451) 2.514 ======================= Grid point 122 (65/90) ======================= q-point: (-0.38 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( -4.402 -9.416 -15.225) 18.435 2.104 ( -3.441 -8.150 -14.164) 16.700 2.290 ( 1.602 7.234 11.414) 13.608 2.542 ( 4.661 1.258 6.035) 7.729 2.863 ( 2.313 -4.618 2.060) 5.560 3.075 ( -4.557 -4.876 4.399) 7.993 3.117 ( 4.350 -3.426 -1.721) 5.798 3.249 ( -0.398 -0.985 -2.125) 2.376 3.318 ( 3.447 3.326 -4.743) 6.740 3.704 ( 1.328 1.186 -0.290) 1.804 3.908 ( -2.782 -16.495 -15.910) 23.086 4.048 ( 2.485 2.550 4.217) 5.520 4.217 ( -5.378 3.264 -2.001) 6.602 4.508 ( -0.071 10.410 8.088) 13.183 4.784 ( 9.569 1.160 5.685) 11.190 5.188 ( -2.870 -1.877 -1.832) 3.888 5.262 ( -2.055 -3.233 2.369) 4.504 5.605 ( -6.231 -1.392 4.781) 7.976 5.829 ( 1.315 2.403 -0.735) 2.836 5.929 ( -0.027 -0.358 -4.509) 4.524 6.328 ( 7.321 1.969 1.652) 7.760 6.578 ( -6.214 4.390 2.016) 7.871 7.102 ( -2.700 5.137 5.987) 8.338 7.258 ( -0.032 8.269 -3.827) 9.112 8.550 ( 0.340 0.825 -8.431) 8.478 8.723 ( 1.332 2.890 -0.456) 3.215 9.418 ( -1.340 -1.538 -0.458) 2.091 10.351 ( 1.420 2.845 1.965) 3.738 10.576 ( -0.007 7.747 3.363) 8.446 10.675 ( 2.520 2.919 -4.063) 5.602 10.877 ( -7.106 6.408 -0.699) 9.594 11.004 ( 1.078 1.622 -2.842) 3.445 11.281 ( -3.303 2.096 8.877) 9.701 11.708 ( 4.071 0.302 0.037) 4.082 12.112 ( -1.186 4.325 4.965) 6.690 12.175 ( -0.560 -9.650 6.629) 11.721 12.317 ( 3.629 -3.427 -7.930) 9.370 12.676 ( 4.342 -1.925 -2.058) 5.176 12.752 ( -4.700 1.578 0.868) 5.034 13.073 ( -4.756 -8.287 5.455) 11.002 13.297 ( 4.082 2.400 -8.361) 9.609 14.193 ( 10.302 -10.388 8.131) 16.738 14.400 ( -2.639 9.051 2.896) 9.862 14.487 ( -13.324 -1.246 -12.552) 18.347 15.581 ( 8.422 9.247 2.716) 12.799 16.136 ( -0.285 -16.759 2.156) 16.899 16.737 ( -0.341 6.957 -3.270) 7.695 17.405 ( 15.851 0.190 -2.379) 16.029 17.440 ( -15.808 0.249 4.954) 16.568 18.145 ( -3.253 11.107 -6.830) 13.438 18.441 ( -2.750 7.342 10.145) 12.821 18.872 ( 0.259 -2.389 -6.476) 6.908 19.407 ( -4.597 -14.778 -0.518) 15.485 19.776 ( 9.729 -0.588 7.038) 12.022 20.299 ( 2.122 -2.225 6.219) 6.937 20.676 ( -3.159 -1.326 -10.183) 10.744 21.094 ( -0.481 2.328 0.709) 2.481 ======================= Grid point 123 (66/90) ======================= q-point: (-0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -4.104 -13.522 -19.269) 23.896 1.741 ( -0.983 -13.196 -19.317) 23.415 2.489 ( -1.568 4.131 9.084) 10.102 2.706 ( 3.626 1.218 4.085) 5.596 2.876 ( -0.321 -5.696 -2.228) 6.125 3.040 ( 2.830 -7.934 -12.880) 15.390 3.064 ( 1.582 -0.501 -2.255) 2.800 3.238 ( -0.764 -2.467 7.739) 8.158 3.282 ( -2.590 -2.759 4.299) 5.727 3.609 ( 3.058 -8.770 -4.058) 10.136 3.819 ( 9.859 5.849 -3.004) 11.850 4.060 ( -11.752 -0.230 2.699) 12.060 4.179 ( 0.561 6.369 -0.405) 6.407 4.705 ( -1.127 13.492 6.070) 14.837 4.882 ( -6.351 -3.724 3.961) 8.360 5.151 ( 4.778 -0.111 -1.417) 4.985 5.313 ( 5.846 -0.304 2.710) 6.451 5.559 ( -7.113 -1.879 4.816) 8.794 5.751 ( -5.009 -0.547 -4.943) 7.059 5.942 ( 6.588 -0.054 -2.372) 7.002 6.369 ( 0.642 -5.782 -2.192) 6.217 6.646 ( -2.020 10.719 6.474) 12.684 7.214 ( 1.483 3.944 5.657) 7.053 7.285 ( 0.894 8.906 -2.539) 9.304 8.492 ( 0.816 0.845 -1.139) 1.636 8.775 ( 2.686 0.665 1.077) 2.970 9.309 ( -3.257 -4.465 -6.843) 8.796 10.469 ( 2.969 5.440 4.501) 7.660 10.635 ( -1.726 1.125 -5.331) 5.715 10.663 ( -3.086 8.335 3.688) 9.623 10.889 ( -1.484 10.652 2.743) 11.099 10.987 ( 1.420 1.075 -4.046) 4.421 11.352 ( -2.629 0.087 6.932) 7.415 11.742 ( -0.063 3.675 -3.157) 4.845 12.079 ( -7.083 -6.668 0.841) 9.764 12.263 ( 5.312 2.045 5.968) 8.248 12.317 ( 6.231 -1.614 0.168) 6.439 12.646 ( 0.569 5.127 -6.727) 8.477 12.751 ( -2.129 0.195 1.351) 2.529 13.022 ( -2.544 -9.691 5.086) 11.237 13.263 ( 5.830 0.364 -6.348) 8.627 14.066 ( -17.021 -5.943 -10.948) 21.092 14.322 ( 11.982 -16.031 -0.518) 20.021 14.481 ( -1.472 7.740 2.921) 8.403 15.778 ( 2.538 22.316 -2.304) 22.578 16.159 ( 7.283 -22.838 15.658) 28.632 16.733 ( 0.291 7.280 -4.717) 8.679 17.214 ( -22.844 1.728 5.384) 23.533 17.673 ( 20.901 -1.634 0.121) 20.965 18.096 ( -0.392 11.727 -8.576) 14.534 18.602 ( -5.693 8.819 8.596) 13.567 18.741 ( 0.172 -5.638 -5.458) 7.849 19.216 ( -2.920 -14.152 -3.703) 14.917 19.938 ( 3.373 3.265 1.091) 4.819 20.400 ( -10.851 -4.984 8.934) 14.913 20.520 ( 11.895 -2.885 -6.086) 13.670 21.117 ( -0.208 2.086 0.828) 2.254 ======================= Grid point 124 (67/90) ======================= q-point: (-0.12 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 8.156 -12.071 -17.477) 22.752 1.386 ( 6.334 -16.811 -19.005) 26.151 2.393 ( 2.077 -27.749 -20.832) 34.760 2.635 ( 3.085 0.869 2.355) 3.977 2.786 ( -3.932 -1.232 -1.743) 4.474 3.025 ( 6.435 -1.440 4.310) 7.877 3.073 ( -2.008 5.830 -1.991) 6.479 3.328 ( -2.220 -0.727 4.913) 5.440 3.384 ( -2.019 -1.009 13.597) 13.783 3.615 ( 4.843 -1.529 2.859) 5.828 3.898 ( -10.391 -2.175 3.511) 11.181 3.963 ( 8.230 4.330 -7.170) 11.743 4.246 ( -3.505 11.141 2.381) 11.919 4.772 ( -7.941 1.878 2.299) 8.478 4.863 ( -0.697 10.112 3.562) 10.744 5.197 ( -0.370 -5.432 3.151) 6.291 5.405 ( 6.899 -1.026 -2.759) 7.500 5.573 ( -3.140 4.280 5.825) 7.881 5.627 ( 0.245 -3.061 -4.280) 5.267 5.974 ( 3.310 -0.745 -2.882) 4.452 6.292 ( 1.394 -7.714 -1.426) 7.967 6.768 ( -4.978 10.177 5.140) 12.441 7.305 ( 0.552 6.955 -1.247) 7.087 7.362 ( 2.184 3.849 2.909) 5.296 8.559 ( 3.838 -1.235 6.120) 7.328 8.801 ( 1.051 -3.738 -0.084) 3.884 9.113 ( -0.548 -4.095 -11.592) 12.306 10.515 ( -2.668 6.014 -4.262) 7.839 10.633 ( 2.127 2.471 3.812) 5.016 10.757 ( -1.885 7.368 5.399) 9.327 10.940 ( 0.071 -0.155 -2.413) 2.419 10.995 ( -2.362 8.836 1.107) 9.213 11.429 ( 1.744 4.177 2.852) 5.350 11.655 ( -6.839 2.780 -4.080) 8.435 11.993 ( -3.530 -7.950 4.778) 9.924 12.333 ( -3.973 7.181 0.060) 8.207 12.414 ( 2.231 -5.483 -1.564) 6.123 12.621 ( 2.345 13.821 -4.288) 14.659 12.749 ( 1.814 -1.385 1.495) 2.728 13.027 ( 3.609 -10.289 4.660) 11.857 13.312 ( 9.546 0.924 -0.681) 9.615 13.621 ( -14.288 -4.896 -16.555) 22.409 14.285 ( 7.864 -24.663 -0.680) 25.895 14.558 ( -0.689 6.604 1.842) 6.891 15.916 ( -5.418 26.079 -2.540) 26.757 16.343 ( 7.386 -23.828 18.503) 31.060 16.744 ( 2.531 7.341 -2.853) 8.273 17.060 ( -16.527 2.996 9.456) 19.276 17.889 ( 13.936 4.765 -6.323) 16.028 18.114 ( 5.574 3.748 -1.214) 6.826 18.458 ( -8.608 1.172 -11.707) 14.578 18.825 ( 2.310 0.494 7.367) 7.736 19.041 ( -0.182 -11.254 -1.823) 11.402 19.939 ( -5.812 5.184 -2.944) 8.326 20.223 ( -7.677 -4.769 -2.644) 9.417 20.728 ( 11.215 -4.361 8.488) 14.726 21.141 ( -0.220 1.489 1.032) 1.825 ======================= Grid point 152 (68/90) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( -0.000 0.000 17.892) 17.892 2.212 ( 0.000 0.000 17.892) 17.892 2.447 ( 0.000 -0.000 -7.579) 7.579 2.738 ( -0.000 0.000 -4.973) 4.973 2.738 ( 0.000 -0.000 -4.973) 4.973 2.901 ( 0.000 -0.000 -1.670) 1.670 2.948 ( -0.000 0.000 6.126) 6.126 2.948 ( 0.000 0.000 6.126) 6.126 3.831 ( 0.000 0.000 -3.139) 3.139 3.831 ( 0.000 -0.000 -3.139) 3.139 4.032 ( -0.000 0.000 1.317) 1.317 4.164 ( -0.000 0.000 12.345) 12.345 4.489 ( -0.000 0.000 17.088) 17.088 4.490 ( 0.000 -0.000 -8.028) 8.028 4.490 ( 0.000 -0.000 -8.028) 8.028 4.965 ( 0.000 -0.000 -6.184) 6.184 5.160 ( -0.000 0.000 -1.974) 1.974 5.160 ( 0.000 0.000 -1.974) 1.974 5.999 ( -0.000 -0.000 -1.413) 1.413 5.999 ( 0.000 -0.000 -1.413) 1.413 6.283 ( -0.000 0.000 3.086) 3.086 6.607 ( 0.000 -0.000 -10.067) 10.067 7.156 ( 0.000 -0.000 -5.105) 5.105 7.156 ( 0.000 0.000 -5.105) 5.105 9.052 ( -0.000 0.000 10.499) 10.499 9.052 ( 0.000 0.000 10.499) 10.499 9.614 ( -0.000 0.000 5.314) 5.314 10.410 ( 0.000 -0.000 -5.937) 5.937 10.410 ( 0.000 -0.000 -5.937) 5.937 10.867 ( 0.000 0.000 -5.642) 5.642 10.867 ( 0.000 -0.000 -5.642) 5.642 10.885 ( 0.000 -0.000 -5.736) 5.736 11.573 ( 0.000 -0.000 -19.767) 19.767 11.588 ( 0.000 -0.000 -1.011) 1.011 11.588 ( 0.000 -0.000 -1.011) 1.011 12.173 ( 0.000 -0.000 -5.303) 5.303 12.367 ( -0.000 0.000 7.788) 7.788 12.367 ( 0.000 0.000 7.788) 7.788 13.037 ( 0.000 0.000 0.815) 0.815 13.037 ( 0.000 0.000 0.815) 0.815 13.512 ( -0.000 0.000 1.117) 1.117 14.245 ( 0.000 -0.000 -10.192) 10.192 14.269 ( 0.000 0.000 7.890) 7.890 14.269 ( 0.000 0.000 7.890) 7.890 15.014 ( -0.000 0.000 0.587) 0.587 16.946 ( -0.000 0.000 -1.968) 1.968 16.946 ( 0.000 -0.000 -1.968) 1.968 17.190 ( -0.000 0.000 7.468) 7.468 17.478 ( -0.000 0.000 12.465) 12.465 18.207 ( 0.000 -0.000 -16.539) 16.539 18.207 ( 0.000 -0.000 -16.539) 16.539 19.064 ( 0.000 0.000 12.000) 12.000 19.064 ( 0.000 0.000 12.000) 12.000 19.417 ( 0.000 -0.000 -14.702) 14.702 20.601 ( 0.000 0.000 5.900) 5.900 20.601 ( 0.000 0.000 5.900) 5.900 21.098 ( 0.000 -0.000 -2.556) 2.556 ======================= Grid point 153 (69/90) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( -7.170 -4.720 -6.415) 10.716 2.420 ( -1.568 4.549 6.104) 7.772 2.455 ( 3.860 -1.042 11.056) 11.757 2.599 ( -7.428 -2.398 2.284) 8.133 2.753 ( 5.563 -0.716 0.085) 5.609 2.885 ( -3.822 -10.864 6.653) 13.301 2.988 ( -1.418 10.815 5.946) 12.423 3.140 ( 3.736 1.824 4.446) 6.087 3.701 ( -2.695 -4.946 -2.335) 6.097 3.837 ( -0.420 5.058 -6.108) 7.942 3.916 ( 1.801 -3.666 -8.336) 9.283 4.151 ( -7.924 -8.302 -4.852) 12.460 4.369 ( -3.647 0.836 -4.999) 6.244 4.452 ( 2.479 4.658 -1.219) 5.416 4.807 ( 7.123 2.722 12.484) 14.629 4.992 ( -2.397 -2.698 8.846) 9.553 5.087 ( 1.693 1.622 2.269) 3.263 5.266 ( 8.021 4.424 -1.540) 9.289 5.924 ( -3.725 -1.179 -1.787) 4.296 6.000 ( 1.149 0.444 -2.927) 3.175 6.304 ( 1.744 -0.137 -2.685) 3.204 6.465 ( -1.117 -0.088 -6.146) 6.247 7.035 ( -2.029 0.985 -6.316) 6.707 7.166 ( 5.569 1.514 -4.196) 7.135 9.070 ( -5.032 -3.675 0.376) 6.242 9.184 ( -0.664 1.023 5.950) 6.074 9.641 ( -3.355 -3.892 2.273) 5.618 10.323 ( -1.417 1.887 -2.049) 3.125 10.428 ( 6.622 2.718 -2.610) 7.619 10.747 ( -3.839 0.138 -8.284) 9.131 10.783 ( -0.167 -0.980 -3.620) 3.754 10.815 ( 2.892 -0.515 -6.308) 6.958 11.265 ( -4.446 -2.643 -9.077) 10.447 11.542 ( -1.416 -0.249 0.229) 1.456 11.754 ( 12.418 6.946 -3.691) 14.699 12.105 ( -3.390 0.525 -1.636) 3.800 12.412 ( -2.779 -7.968 6.802) 10.838 12.512 ( 1.042 4.099 8.374) 9.382 13.026 ( -4.096 -0.196 1.319) 4.308 13.044 ( -0.330 -1.889 4.295) 4.704 13.556 ( 3.605 1.816 -2.492) 4.744 14.118 ( -11.954 -9.126 3.981) 15.557 14.142 ( 1.813 4.433 -7.381) 8.799 14.559 ( 10.223 6.503 3.788) 12.694 15.085 ( 6.639 1.209 -0.084) 6.748 16.789 ( -8.730 -14.652 4.115) 17.545 16.910 ( -9.092 8.771 1.782) 12.758 17.371 ( 3.837 2.305 4.512) 6.356 17.657 ( 5.671 -1.029 8.504) 10.273 17.893 ( -2.535 -4.852 -16.365) 17.256 18.113 ( 6.691 8.212 -14.411) 17.886 19.144 ( -7.679 2.700 2.493) 8.513 19.226 ( 4.663 -5.405 7.056) 10.037 19.327 ( 4.786 3.053 1.253) 5.814 20.506 ( -9.581 -5.017 3.541) 11.380 20.802 ( 6.224 3.859 3.229) 8.004 21.066 ( 0.832 0.277 -2.555) 2.701 ======================= Grid point 154 (70/90) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( -12.425 -7.655 -3.837) 15.089 2.263 ( -16.096 -0.510 -3.510) 16.482 2.605 ( 2.681 -3.203 0.903) 4.273 2.682 ( 3.192 -1.365 10.905) 11.444 2.831 ( -1.297 0.074 1.125) 1.718 2.895 ( 0.230 -4.035 11.534) 12.221 3.106 ( -4.439 0.003 2.179) 4.945 3.239 ( 4.632 7.768 3.939) 9.865 3.622 ( 2.784 -9.362 -1.860) 9.943 3.730 ( -5.386 4.944 -4.081) 8.373 3.846 ( 0.444 0.636 -9.989) 10.020 3.975 ( 2.122 -6.110 0.991) 6.543 4.263 ( -4.762 -0.685 -2.814) 5.573 4.431 ( -4.263 5.296 -5.487) 8.736 4.992 ( 4.646 -4.495 -1.321) 6.599 5.021 ( 3.212 1.164 5.023) 6.075 5.311 ( 2.263 0.896 14.585) 14.787 5.370 ( 4.746 5.662 -0.142) 7.389 5.838 ( -5.375 0.508 -1.127) 5.515 5.959 ( 0.398 -1.204 -3.882) 4.084 6.297 ( 6.809 1.342 -3.470) 7.759 6.435 ( 1.852 2.236 -2.164) 3.621 6.948 ( -0.308 3.438 -6.019) 6.939 7.202 ( 6.414 1.267 -3.845) 7.584 8.906 ( -4.686 -4.435 -8.515) 10.683 9.193 ( -0.348 -0.902 -4.589) 4.690 9.525 ( -10.867 -3.642 1.356) 11.541 10.361 ( 1.357 2.396 2.758) 3.897 10.492 ( 6.166 2.891 -4.506) 8.166 10.600 ( -1.824 -2.227 -3.898) 4.846 10.767 ( 3.309 1.356 -3.164) 4.775 10.780 ( 2.058 -1.620 -1.403) 2.972 11.171 ( 1.223 4.082 -2.825) 5.112 11.551 ( 1.243 0.241 1.269) 1.792 11.910 ( 9.132 4.962 -1.001) 10.441 12.060 ( -4.467 2.854 1.623) 5.543 12.387 ( -2.519 -9.848 5.414) 11.517 12.657 ( 1.721 3.344 4.889) 6.168 12.960 ( -7.302 -2.004 1.029) 7.642 13.121 ( 0.631 -2.098 6.744) 7.091 13.541 ( 0.489 0.892 -3.523) 3.667 13.931 ( -13.375 -5.476 2.441) 14.657 14.163 ( 7.613 5.110 -5.164) 10.523 14.783 ( 10.276 7.839 2.848) 13.235 15.116 ( 3.003 -5.426 -4.595) 7.718 16.652 ( -10.852 -5.104 6.124) 13.466 16.951 ( -1.418 4.211 7.603) 8.806 17.390 ( -5.870 -1.815 0.322) 6.153 17.597 ( -1.187 -5.514 -15.748) 16.728 17.836 ( 10.566 0.431 0.189) 10.577 18.133 ( 7.028 9.837 -5.915) 13.459 19.045 ( -2.490 0.174 -5.070) 5.651 19.335 ( -1.950 -1.360 8.337) 8.669 19.508 ( 6.059 0.884 9.421) 11.236 20.389 ( -8.902 -3.922 2.884) 10.146 20.882 ( 1.656 1.062 -2.040) 2.834 21.071 ( 3.033 1.427 -1.356) 3.616 ======================= Grid point 155 (71/90) ======================= q-point: (-0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -18.568 -8.910 2.321) 20.726 1.986 ( -18.960 -3.757 0.576) 19.337 2.615 ( -0.531 -4.057 4.270) 5.914 2.762 ( -2.726 0.928 -5.386) 6.108 2.849 ( 6.318 -2.634 3.787) 7.823 2.987 ( -3.783 -2.568 4.742) 6.587 3.063 ( -1.333 -4.284 4.382) 6.271 3.368 ( 3.227 2.249 -2.102) 4.459 3.585 ( 2.028 -3.976 -1.622) 4.749 3.687 ( -1.970 -0.453 -2.941) 3.569 3.735 ( -0.408 4.079 -0.322) 4.112 4.101 ( 5.712 4.356 6.027) 9.377 4.140 ( -9.466 -6.264 1.910) 11.510 4.309 ( -0.354 6.644 -9.634) 11.708 5.031 ( 7.502 -2.500 -0.823) 7.950 5.058 ( 0.027 -1.729 -1.300) 2.163 5.399 ( -1.470 2.104 0.737) 2.671 5.547 ( 1.795 3.726 7.391) 8.469 5.778 ( -5.030 1.780 1.263) 5.483 5.898 ( 1.491 -2.352 -3.593) 4.546 6.409 ( 6.820 6.920 -1.478) 9.827 6.453 ( 5.242 -1.577 -1.760) 5.750 6.935 ( 3.733 5.804 -3.000) 7.525 7.235 ( 5.840 0.730 -4.522) 7.422 8.690 ( -1.871 -4.822 -10.044) 11.297 9.040 ( -1.336 -4.001 -11.227) 11.993 9.401 ( -12.744 1.656 4.443) 13.598 10.410 ( 0.867 0.784 0.703) 1.364 10.514 ( 5.945 1.438 -4.615) 7.663 10.588 ( 2.247 1.091 0.061) 2.499 10.761 ( 4.359 -2.408 -3.817) 6.275 10.815 ( 2.293 1.438 1.822) 3.263 11.250 ( 4.111 8.409 0.284) 9.365 11.608 ( 2.083 0.025 3.059) 3.701 12.040 ( 2.015 0.132 6.866) 7.156 12.092 ( 2.707 7.309 -1.393) 7.917 12.365 ( -1.112 -5.997 4.022) 7.306 12.714 ( -1.812 -2.878 1.110) 3.578 12.838 ( -7.615 -0.180 -1.404) 7.745 13.159 ( -1.279 -6.334 3.637) 7.415 13.505 ( -1.591 -3.729 -1.911) 4.482 13.810 ( -10.937 4.188 7.541) 13.929 14.253 ( 8.361 5.881 -3.417) 10.778 14.945 ( -5.458 -12.691 -6.663) 15.338 15.051 ( 14.202 10.469 2.872) 17.876 16.595 ( -6.457 -0.327 4.794) 8.049 17.128 ( 0.569 -0.815 5.234) 5.328 17.169 ( -5.118 -6.497 -7.233) 10.988 17.418 ( 0.240 5.357 -7.401) 9.140 17.936 ( 8.462 -2.887 -2.759) 9.357 18.262 ( 6.163 10.134 0.678) 11.881 18.953 ( -1.694 -1.835 -3.949) 4.672 19.374 ( -6.694 -2.655 7.675) 10.524 19.722 ( 5.460 2.644 7.378) 9.552 20.321 ( -5.698 -2.255 5.513) 8.243 20.831 ( 0.346 -2.064 -6.205) 6.548 21.099 ( 2.430 1.696 -2.191) 3.685 ======================= Grid point 156 (72/90) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -20.230 -7.182 10.808) 24.034 1.772 ( -17.028 -5.980 9.751) 20.513 2.591 ( -0.409 0.176 -8.193) 8.205 2.694 ( 2.665 -0.009 -0.101) 2.667 2.935 ( -0.056 -7.798 4.280) 8.895 2.971 ( -4.061 -2.365 7.500) 8.851 3.052 ( -2.463 -2.172 1.952) 3.821 3.334 ( 1.070 -1.533 -5.590) 5.894 3.480 ( -4.707 0.943 -10.119) 11.200 3.669 ( 3.951 -4.463 1.727) 6.206 3.758 ( -6.382 -5.910 5.610) 10.351 4.050 ( -2.007 1.742 3.181) 4.145 4.143 ( -2.212 7.992 -5.740) 10.085 4.466 ( 15.116 9.901 2.121) 18.194 4.990 ( -5.204 1.836 -2.989) 6.275 5.110 ( 8.657 -4.352 -0.452) 9.700 5.364 ( -1.802 -1.796 -1.787) 3.109 5.615 ( -3.568 5.499 -0.177) 6.557 5.747 ( -5.022 1.132 1.783) 5.448 5.899 ( 4.235 -3.745 1.220) 5.783 6.419 ( -2.306 -0.729 -0.285) 2.436 6.557 ( 9.620 5.385 -4.297) 11.833 7.069 ( 9.324 6.845 2.227) 11.779 7.238 ( 4.943 0.008 -5.528) 7.415 8.534 ( 0.366 -4.010 -5.681) 6.963 8.851 ( -1.524 -3.203 -7.522) 8.317 9.327 ( -10.253 1.727 4.912) 11.499 10.440 ( 2.512 1.998 -0.957) 3.349 10.566 ( 7.471 2.715 -3.581) 8.718 10.609 ( -0.279 1.838 0.134) 1.864 10.785 ( 7.052 1.423 -2.266) 7.543 10.899 ( 3.189 0.007 3.739) 4.914 11.359 ( 3.212 8.328 -2.353) 9.231 11.674 ( 0.373 -0.558 4.120) 4.174 12.131 ( -3.107 -1.353 4.847) 5.914 12.185 ( 7.784 5.278 -1.498) 9.523 12.391 ( 1.772 -1.146 1.169) 2.412 12.583 ( -8.556 -6.878 2.370) 11.231 12.775 ( -1.234 3.224 -3.022) 4.588 13.127 ( -2.047 -6.808 3.145) 7.774 13.353 ( -5.623 -9.274 -3.588) 11.424 13.918 ( -8.860 12.527 13.882) 20.691 14.372 ( 8.341 5.894 -2.148) 10.437 14.637 ( -9.322 -16.424 -6.292) 19.906 15.393 ( 17.473 11.470 3.997) 21.280 16.613 ( 0.062 1.267 3.853) 4.056 16.715 ( -10.619 -17.628 -17.095) 26.754 17.251 ( -7.527 18.712 -4.030) 20.568 17.532 ( 13.456 -4.527 7.880) 16.237 17.956 ( 5.968 -4.313 -2.080) 7.651 18.452 ( 5.286 11.324 3.228) 12.907 18.846 ( -3.198 -3.988 -3.768) 6.350 19.333 ( -10.642 -3.564 6.460) 12.950 19.870 ( 3.332 3.169 2.451) 5.211 20.368 ( -2.566 -0.114 9.615) 9.952 20.685 ( -0.034 -6.118 -10.975) 12.565 21.104 ( 1.639 1.519 -2.097) 3.064 ======================= Grid point 161 (73/90) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( -0.375 -11.887 -4.482) 12.710 2.423 ( 5.514 -2.537 -1.396) 6.228 2.553 ( -4.442 6.243 -1.162) 7.749 2.732 ( -0.232 -4.777 9.822) 10.925 2.798 ( -0.177 3.029 10.556) 10.984 2.958 ( -3.649 -7.698 8.237) 11.850 3.120 ( 5.442 5.614 4.956) 9.257 3.214 ( 0.040 3.457 5.050) 6.120 3.623 ( -4.557 -10.229 -4.904) 12.224 3.738 ( 3.877 0.358 -2.124) 4.435 3.828 ( -0.926 4.057 -8.129) 9.132 4.085 ( -6.669 -7.172 -9.068) 13.347 4.268 ( 5.744 -0.953 -7.630) 9.598 4.407 ( 2.775 9.617 -4.486) 10.969 4.903 ( -3.771 -8.124 7.173) 11.475 5.095 ( 0.365 2.854 5.203) 5.946 5.249 ( 0.777 9.897 0.052) 9.928 5.275 ( 0.001 2.064 17.209) 17.332 5.891 ( 1.559 -3.350 -3.543) 5.119 5.959 ( -0.946 1.475 -2.380) 2.956 6.231 ( -0.819 -0.036 -6.630) 6.681 6.396 ( 0.520 1.114 -3.916) 4.104 6.937 ( 1.320 -4.372 -4.741) 6.583 7.115 ( -1.066 7.502 -4.859) 9.001 9.010 ( -0.635 -6.356 -8.978) 11.018 9.163 ( -0.110 1.559 -7.044) 7.215 9.690 ( 1.015 0.098 -0.809) 1.302 10.324 ( 1.530 -1.288 2.556) 3.245 10.387 ( -1.462 1.963 -1.233) 2.741 10.634 ( -0.548 -1.563 -5.449) 5.695 10.730 ( -0.585 -0.190 -3.890) 3.939 10.788 ( -0.272 2.555 1.606) 3.030 11.136 ( 0.903 -3.664 -6.390) 7.421 11.618 ( -0.429 5.673 -1.163) 5.807 11.665 ( 0.469 4.692 0.988) 4.817 12.111 ( 1.459 -1.146 1.537) 2.409 12.512 ( -5.431 -5.034 5.692) 9.340 12.603 ( 3.854 2.641 4.945) 6.803 13.046 ( 0.185 -6.267 4.873) 7.941 13.130 ( -0.397 -1.307 7.192) 7.321 13.513 ( 0.226 1.133 -3.522) 3.707 14.026 ( 0.686 1.233 -4.823) 5.025 14.180 ( -0.013 -9.255 0.034) 9.255 14.574 ( 0.581 12.301 -1.281) 12.381 15.109 ( -1.926 5.948 1.680) 6.474 16.825 ( -2.128 -13.432 6.550) 15.095 16.983 ( 4.935 0.035 0.844) 5.007 17.395 ( 0.388 -2.201 2.055) 3.036 17.648 ( -4.127 -1.493 -7.574) 8.753 17.831 ( -6.799 3.149 1.807) 7.708 17.891 ( 8.501 9.118 -13.673) 18.503 19.071 ( 0.507 -1.546 -6.180) 6.390 19.374 ( 0.996 0.706 10.173) 10.246 19.427 ( -1.758 3.135 10.033) 10.658 20.527 ( 0.333 -12.418 1.236) 12.484 20.843 ( 0.030 8.703 0.616) 8.725 21.025 ( -0.131 0.699 -2.773) 2.863 ======================= Grid point 162 (74/90) ======================= q-point: (-0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -3.595 -13.602 0.970) 14.102 2.404 ( -9.012 4.078 -4.466) 10.853 2.504 ( 4.994 -0.987 -1.699) 5.366 2.805 ( -1.529 -5.465 9.127) 10.748 2.935 ( -6.585 -3.255 6.209) 9.618 3.022 ( 0.759 -0.735 9.557) 9.615 3.133 ( -4.638 -6.711 -3.921) 9.051 3.281 ( 1.736 2.894 1.753) 3.803 3.545 ( 0.362 -3.310 2.899) 4.415 3.718 ( -0.228 3.092 -6.153) 6.890 3.791 ( -0.837 6.085 -3.479) 7.059 3.878 ( 3.292 -5.929 -0.567) 6.806 4.205 ( 2.749 0.290 -7.225) 7.735 4.487 ( 0.780 10.437 -3.292) 10.972 4.831 ( -2.345 -11.400 1.722) 11.766 5.158 ( -3.919 3.671 4.106) 6.759 5.379 ( 3.795 6.085 1.890) 7.416 5.508 ( 0.280 1.226 13.059) 13.119 5.832 ( 2.246 -3.697 -4.305) 6.103 5.921 ( -3.178 2.151 -1.340) 4.065 6.173 ( 4.914 1.103 -3.969) 6.412 6.384 ( 2.658 3.601 -3.845) 5.900 6.878 ( 1.528 -0.678 -3.351) 3.744 7.111 ( 2.322 5.912 -4.742) 7.926 8.775 ( -3.947 -4.032 -12.226) 13.465 9.033 ( 1.073 0.457 -12.913) 12.966 9.647 ( -3.373 1.599 -3.458) 5.089 10.360 ( 2.511 0.041 -4.012) 4.734 10.380 ( 2.072 0.528 0.941) 2.336 10.588 ( -1.368 2.448 0.725) 2.897 10.684 ( -0.111 -3.868 0.803) 3.952 10.831 ( -1.975 -0.538 2.825) 3.489 11.126 ( 5.259 3.438 -0.781) 6.332 11.602 ( -3.003 2.629 2.134) 4.526 11.803 ( 9.169 5.196 -0.583) 10.555 12.162 ( -0.210 1.594 4.232) 4.527 12.454 ( -5.800 -6.840 4.539) 10.051 12.706 ( 1.823 3.276 1.150) 3.921 13.043 ( -5.665 -6.967 5.434) 10.496 13.193 ( -1.289 -5.299 5.826) 7.981 13.485 ( 2.402 -2.490 -1.649) 3.833 14.032 ( 1.949 -0.423 -0.266) 2.012 14.077 ( -3.474 2.257 -1.920) 4.566 14.688 ( 9.697 9.266 -5.534) 14.509 15.124 ( -5.490 3.200 2.226) 6.734 16.789 ( -5.843 -8.554 6.020) 11.981 17.039 ( 4.802 -2.214 3.677) 6.441 17.265 ( -1.871 -12.680 -11.015) 16.900 17.530 ( -6.657 7.590 -3.572) 10.709 17.796 ( -0.164 6.112 -0.650) 6.148 18.007 ( 12.095 6.895 -3.718) 14.411 18.999 ( -1.257 -0.604 -2.537) 2.895 19.517 ( -3.827 1.654 9.208) 10.108 19.584 ( 4.088 0.501 10.023) 10.836 20.429 ( -1.878 -11.390 1.063) 11.593 20.860 ( -2.379 4.933 -4.579) 7.138 21.023 ( 2.851 2.210 -1.735) 4.003 ======================= Grid point 163 (75/90) ======================= q-point: (-0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( -8.356 -11.744 8.115) 16.541 2.229 ( -15.162 1.869 0.863) 15.301 2.542 ( 7.020 0.772 -6.367) 9.508 2.707 ( -8.774 -6.183 -9.562) 14.375 2.890 ( -0.561 -6.679 10.220) 12.221 3.015 ( 0.120 -7.773 4.845) 9.160 3.181 ( -5.402 1.110 5.808) 8.009 3.295 ( 1.588 -0.974 -2.259) 2.928 3.479 ( 2.946 -5.452 -4.425) 7.615 3.644 ( -5.075 4.915 -5.200) 8.772 3.872 ( 1.030 6.734 7.040) 9.797 4.045 ( 13.691 1.906 2.725) 14.089 4.165 ( 2.588 3.520 -4.711) 6.425 4.396 ( -15.782 -0.977 0.080) 15.813 4.796 ( 7.307 -5.024 -2.244) 9.147 5.181 ( -4.188 3.895 2.683) 6.318 5.422 ( -1.832 -0.840 -0.328) 2.042 5.657 ( 0.756 2.595 4.886) 5.584 5.788 ( 3.372 -3.362 -2.963) 5.609 5.883 ( -4.599 2.373 1.278) 5.330 6.250 ( 10.506 0.321 -3.282) 11.012 6.418 ( 3.317 6.952 -2.087) 7.980 6.894 ( 3.856 3.407 0.033) 5.146 7.120 ( 3.503 3.833 -5.181) 7.335 8.562 ( -2.691 -1.669 -7.872) 8.484 8.869 ( 0.446 0.092 -11.674) 11.683 9.553 ( -5.185 2.273 -3.399) 6.603 10.347 ( 3.677 1.306 -4.277) 5.790 10.417 ( 3.554 2.385 -1.702) 4.606 10.648 ( -0.724 5.851 4.451) 7.387 10.672 ( -0.015 -6.976 1.793) 7.203 10.832 ( 0.574 -1.112 2.348) 2.660 11.235 ( 5.598 5.873 -1.209) 8.203 11.650 ( 0.215 0.123 5.195) 5.201 11.948 ( 9.316 5.461 -2.016) 10.985 12.231 ( -2.667 -0.233 6.629) 7.149 12.408 ( -2.779 -2.452 2.553) 4.500 12.738 ( -0.333 3.360 -1.183) 3.578 12.915 ( -10.816 -9.220 1.395) 14.280 13.187 ( -1.509 -7.918 4.569) 9.265 13.450 ( -1.004 -6.326 -2.313) 6.810 14.053 ( -3.278 4.263 8.782) 10.297 14.148 ( 8.133 6.522 -2.498) 10.720 14.729 ( 4.918 1.372 -12.201) 13.226 15.149 ( -1.700 6.289 7.293) 9.780 16.710 ( -5.648 -5.460 2.436) 8.225 16.936 ( -7.011 -13.507 -12.758) 19.859 17.199 ( 11.289 -5.992 6.429) 14.307 17.460 ( -7.644 14.002 -3.570) 16.347 17.842 ( 1.585 2.159 0.427) 2.712 18.197 ( 13.175 8.835 -2.231) 16.019 18.943 ( -3.312 -2.321 -0.048) 4.044 19.566 ( -6.740 -0.072 7.344) 9.968 19.769 ( 4.175 1.428 5.860) 7.335 20.372 ( 1.166 -11.258 4.769) 12.282 20.755 ( -4.461 3.107 -7.800) 9.508 21.051 ( 2.434 2.434 -2.212) 4.092 ======================= Grid point 164 (76/90) ======================= q-point: (-0.25 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( -13.251 -7.608 13.762) 20.564 2.096 ( -14.116 0.140 8.192) 16.321 2.405 ( 2.672 -1.251 -15.377) 15.657 2.588 ( 4.027 -0.867 -5.030) 6.502 2.951 ( -2.843 -5.991 4.408) 7.963 3.065 ( 2.715 -7.287 9.469) 12.253 3.118 ( -5.735 0.967 0.197) 5.819 3.247 ( 0.989 -4.012 -2.694) 4.933 3.420 ( -3.587 0.196 -8.097) 8.858 3.616 ( 2.771 2.083 3.272) 4.767 3.997 ( -6.489 0.440 7.037) 9.582 4.084 ( -3.617 -6.141 0.934) 7.188 4.170 ( -4.062 5.352 -3.431) 7.544 4.364 ( 10.963 8.952 0.447) 14.161 4.822 ( 7.808 -6.196 -4.048) 10.758 5.184 ( -4.462 3.988 2.158) 6.362 5.348 ( -3.482 -2.666 -1.838) 4.755 5.681 ( -2.090 4.351 -3.721) 6.095 5.790 ( 2.745 -0.928 -0.416) 2.928 5.886 ( -2.107 -0.619 4.502) 5.009 6.311 ( 8.253 -4.060 -3.336) 9.784 6.509 ( 2.604 10.033 -1.245) 10.440 7.044 ( 8.240 5.481 4.309) 10.794 7.114 ( 3.220 3.530 -5.849) 7.553 8.482 ( -0.336 -0.757 0.651) 1.053 8.744 ( 0.352 0.488 -6.698) 6.725 9.466 ( -4.619 1.502 -1.642) 5.127 10.347 ( 2.960 1.319 -3.625) 4.862 10.487 ( 5.788 6.111 -1.885) 8.625 10.634 ( 1.566 -6.861 0.821) 7.086 10.758 ( -0.201 7.956 4.411) 9.099 10.909 ( 3.706 -0.787 4.487) 5.873 11.305 ( 4.966 5.377 -5.290) 9.031 11.711 ( -0.422 -2.195 3.501) 4.154 12.066 ( 7.737 6.982 -4.719) 11.441 12.258 ( -3.690 -6.107 8.177) 10.852 12.383 ( -3.378 0.184 -3.163) 4.631 12.700 ( -8.060 -4.638 3.662) 9.994 12.760 ( -0.322 0.414 -2.959) 3.005 13.186 ( -2.264 -5.170 6.518) 8.622 13.301 ( -5.129 -6.881 -4.399) 9.644 14.230 ( 2.515 4.077 9.761) 10.873 14.284 ( 7.277 5.049 0.304) 8.863 14.526 ( -7.310 -0.727 -11.070) 13.286 15.364 ( 9.182 7.022 6.222) 13.128 16.529 ( -11.839 -15.919 -10.652) 22.517 16.664 ( -1.491 -0.092 1.226) 1.932 17.345 ( 10.467 -8.981 0.868) 13.820 17.464 ( -4.956 14.697 -1.082) 15.547 17.919 ( 3.274 4.629 4.843) 7.457 18.388 ( 11.428 8.556 -4.960) 15.113 18.877 ( -4.707 -3.716 2.352) 6.442 19.541 ( -10.188 -0.680 5.238) 11.476 19.841 ( 2.840 -1.861 -2.138) 4.013 20.399 ( 4.079 -13.628 3.171) 14.575 20.618 ( -6.185 6.596 -2.811) 9.469 21.069 ( 1.956 2.124 -1.528) 3.267 ======================= Grid point 169 (77/90) ======================= q-point: ( 0.38 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 4.012 -15.849 0.182) 16.350 2.275 ( 9.078 -3.536 -1.422) 9.845 2.613 ( -3.556 6.652 -4.458) 8.762 2.815 ( 1.574 -6.743 3.345) 7.690 2.918 ( 5.556 -0.475 10.328) 11.737 3.037 ( -0.047 -4.502 6.116) 7.595 3.193 ( -5.475 1.462 3.110) 6.465 3.248 ( 6.721 2.882 5.950) 9.427 3.591 ( -4.544 -6.450 -0.620) 7.914 3.717 ( 0.229 2.207 0.036) 2.220 3.737 ( 3.278 4.220 -7.271) 9.023 4.002 ( -2.426 1.896 -5.692) 6.471 4.084 ( -2.047 -6.405 -8.478) 10.821 4.396 ( 2.731 4.279 -1.232) 5.224 4.981 ( -4.010 -4.988 4.206) 7.658 5.173 ( 7.494 9.530 2.758) 12.434 5.304 ( -4.320 1.245 0.518) 4.526 5.509 ( 0.076 0.541 11.480) 11.493 5.784 ( 0.538 -6.498 -2.263) 6.902 5.941 ( 1.292 2.949 -2.902) 4.335 6.201 ( -5.646 2.685 -3.800) 7.317 6.369 ( -2.527 3.395 -3.919) 5.768 6.852 ( -0.206 -2.383 -2.002) 3.120 7.135 ( -3.345 7.148 -5.240) 9.473 8.807 ( 2.664 -1.594 -11.594) 12.003 9.049 ( -2.346 1.918 -13.907) 14.233 9.561 ( 7.000 -5.033 -3.411) 9.272 10.377 ( -1.235 0.602 0.421) 1.437 10.388 ( -3.796 1.744 -3.209) 5.268 10.601 ( 0.727 3.664 -1.964) 4.220 10.733 ( -2.182 -0.908 3.715) 4.404 10.856 ( 2.480 1.422 5.338) 6.056 11.051 ( -3.240 -1.677 -3.655) 5.164 11.617 ( 2.761 3.376 2.615) 5.085 11.792 ( -9.188 4.877 -1.157) 10.467 12.112 ( 2.542 -2.783 5.434) 6.613 12.581 ( 7.018 2.385 2.729) 7.899 12.623 ( -5.368 -2.683 1.231) 6.126 13.036 ( 6.040 -7.388 5.366) 10.948 13.253 ( -0.628 -0.435 9.515) 9.546 13.447 ( -1.823 -5.265 -3.911) 6.808 13.976 ( 1.875 -1.350 -2.863) 3.679 14.101 ( 2.271 0.279 0.279) 2.305 14.672 ( -9.413 8.802 -4.868) 13.776 15.187 ( 2.404 7.608 0.332) 7.986 16.764 ( 7.879 -11.123 5.150) 14.571 16.989 ( -3.562 -5.398 4.142) 7.680 17.302 ( -1.905 -6.871 -5.118) 8.777 17.600 ( 14.971 7.439 -10.448) 19.714 17.770 ( -9.875 6.549 -1.036) 11.895 17.978 ( -8.695 4.573 -1.050) 9.880 19.002 ( 1.003 -0.074 -1.895) 2.145 19.482 ( 3.079 -1.079 9.478) 10.024 19.617 ( -3.186 2.727 8.351) 9.345 20.417 ( 2.424 -11.745 1.045) 12.038 20.880 ( 1.688 6.188 -2.924) 7.049 21.017 ( -2.868 1.643 -2.517) 4.154 ======================= Grid point 170 (78/90) ======================= q-point: (-0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 1.640 -13.059 6.310) 14.597 2.356 ( 6.460 0.414 -1.290) 6.600 2.509 ( -5.832 3.409 -5.902) 8.971 2.770 ( 3.134 -12.078 -4.806) 13.371 3.055 ( -3.058 -6.012 7.752) 10.276 3.082 ( -4.768 -7.478 3.733) 9.622 3.182 ( 1.763 2.345 6.716) 7.329 3.326 ( -4.670 -1.267 1.908) 5.201 3.509 ( -1.748 -4.692 -5.598) 7.510 3.706 ( 6.870 0.225 -2.778) 7.414 3.787 ( -0.575 9.309 5.841) 11.005 3.883 ( -6.099 1.281 -2.394) 6.676 4.015 ( 8.289 1.078 -5.641) 10.084 4.475 ( 3.808 10.046 -3.373) 11.261 4.917 ( -8.577 -7.178 4.575) 12.084 5.272 ( -3.412 0.203 1.484) 3.727 5.380 ( 6.483 4.677 2.996) 8.537 5.575 ( 3.586 -6.266 -2.507) 7.642 5.752 ( -0.620 -1.840 3.702) 4.180 5.948 ( 0.514 3.357 -1.546) 3.731 6.132 ( -2.614 3.859 -0.786) 4.727 6.331 ( 1.111 5.576 -4.224) 7.083 6.843 ( 0.597 0.169 1.169) 1.323 7.083 ( -0.994 7.275 -5.857) 9.393 8.654 ( -2.849 0.319 -8.765) 9.222 8.843 ( 0.434 3.034 -14.935) 15.246 9.550 ( 4.412 -2.491 -4.688) 6.903 10.318 ( -1.308 1.792 -3.239) 3.926 10.366 ( 0.224 2.442 -2.241) 3.322 10.616 ( 0.961 3.515 -1.165) 3.826 10.781 ( -4.636 -2.136 10.112) 11.328 10.887 ( -4.497 -2.448 1.098) 5.237 11.067 ( 7.066 2.900 0.351) 7.646 11.704 ( -1.899 4.252 2.288) 5.189 11.753 ( 1.796 2.594 1.063) 3.329 12.217 ( 2.620 0.645 5.569) 6.188 12.531 ( -5.542 -4.215 0.815) 7.011 12.687 ( 4.099 2.461 -0.571) 4.815 13.128 ( 3.509 -8.822 7.196) 11.913 13.222 ( -8.795 -11.243 0.889) 14.302 13.415 ( 3.104 -2.804 1.736) 4.529 13.984 ( 3.286 7.081 -2.464) 8.186 14.149 ( -1.218 -0.738 4.947) 5.148 14.576 ( 0.572 8.133 -9.129) 12.240 15.261 ( -2.225 8.295 1.279) 8.683 16.824 ( -1.367 -13.512 2.695) 13.845 16.908 ( 7.952 -10.732 -0.439) 13.364 17.143 ( -8.123 -2.625 -4.123) 9.480 17.650 ( -1.108 8.593 -6.743) 10.979 17.813 ( 6.836 10.168 2.666) 12.539 17.913 ( -3.403 4.044 -1.585) 5.518 18.997 ( -0.589 -0.791 0.378) 1.056 19.657 ( 3.901 0.555 8.618) 9.476 19.690 ( -2.595 -0.234 6.138) 6.668 20.349 ( 0.266 -12.338 1.726) 12.461 20.864 ( -2.397 4.812 -6.569) 8.488 20.991 ( 1.174 2.673 -1.321) 3.205 ======================= Grid point 172 (79/90) ======================= q-point: (-0.38 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( -1.238 -7.901 12.142) 14.539 2.351 ( -0.061 -2.841 -10.861) 11.226 2.381 ( -4.097 1.303 -3.300) 5.420 2.576 ( -1.464 -10.307 -6.223) 12.129 2.997 ( -3.603 -9.038 7.633) 12.366 3.079 ( -3.494 -5.116 7.886) 10.028 3.230 ( -0.472 -4.460 -3.753) 5.848 3.340 ( -7.495 -2.357 -2.430) 8.224 3.377 ( 4.023 2.257 5.583) 7.242 3.720 ( -7.054 6.070 -3.625) 9.987 3.833 ( 10.563 -4.852 -3.069) 12.022 3.997 ( 5.549 12.715 2.303) 14.063 4.097 ( 4.235 3.902 1.426) 5.933 4.495 ( -1.004 3.977 -5.692) 7.016 4.803 ( -9.125 -7.027 5.872) 12.928 5.250 ( -0.686 0.069 -1.216) 1.398 5.432 ( -1.795 -4.103 1.043) 4.598 5.559 ( 7.933 -3.310 -4.282) 9.604 5.782 ( -1.153 0.391 1.778) 2.155 5.958 ( -1.088 2.563 0.160) 2.789 6.154 ( 0.428 4.473 0.199) 4.498 6.394 ( 5.829 8.292 -1.099) 10.196 6.908 ( 2.157 3.444 4.128) 5.793 7.056 ( 0.959 6.558 -5.763) 8.782 8.527 ( -3.361 0.774 -3.086) 4.628 8.719 ( 2.103 4.016 -9.170) 10.229 9.509 ( 1.054 -1.195 -4.425) 4.704 10.302 ( 0.753 3.258 -1.260) 3.573 10.376 ( 2.326 4.071 -1.902) 5.060 10.626 ( -0.511 -0.493 -1.023) 1.245 10.840 ( -0.541 -3.154 1.341) 3.470 10.850 ( -4.672 2.887 8.907) 10.464 11.160 ( 5.733 2.427 -2.892) 6.865 11.740 ( -2.301 1.852 4.403) 5.302 11.855 ( 7.113 4.363 -0.646) 8.370 12.323 ( 0.677 -0.164 5.238) 5.284 12.447 ( -3.217 -1.989 -1.010) 3.915 12.723 ( 1.931 2.962 -2.444) 4.298 12.991 ( -9.818 -13.725 -1.415) 16.934 13.189 ( 1.344 -10.174 7.622) 12.783 13.410 ( -1.743 -3.756 -0.357) 4.156 14.080 ( 4.877 8.698 -2.121) 10.195 14.214 ( -1.694 0.771 7.146) 7.385 14.545 ( 4.965 5.845 -8.464) 11.422 15.309 ( -2.286 9.124 1.305) 9.496 16.668 ( -1.645 -15.357 -1.332) 15.502 16.901 ( -11.259 -4.632 -2.044) 12.345 17.026 ( 9.600 -9.260 1.403) 13.412 17.625 ( -4.689 14.159 -3.625) 15.349 17.912 ( -1.307 5.383 1.922) 5.863 18.041 ( 12.289 8.233 -0.270) 14.794 18.970 ( -2.263 -3.105 0.517) 3.877 19.707 ( -2.211 -2.768 2.718) 4.465 19.790 ( 1.319 1.388 2.477) 3.131 20.325 ( 1.043 -11.512 6.855) 13.439 20.748 ( -3.691 3.523 -6.886) 8.570 21.017 ( 1.773 3.029 -1.333) 3.755 ======================= Grid point 173 (80/90) ======================= q-point: (-0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( -2.974 -10.078 -8.705) 13.645 2.187 ( -2.219 -1.382 6.650) 7.145 2.271 ( -0.348 -3.770 -5.383) 6.581 2.523 ( -2.119 0.651 3.381) 4.043 3.009 ( -2.648 -7.894 2.297) 8.637 3.106 ( -1.985 -5.183 6.464) 8.520 3.158 ( 1.771 -4.013 2.484) 5.040 3.240 ( -4.772 -0.087 0.532) 4.803 3.397 ( -6.383 1.434 -3.314) 7.334 3.687 ( -1.036 3.748 2.812) 4.799 3.871 ( 8.471 -2.778 -6.021) 10.758 4.096 ( 6.001 6.144 -8.005) 11.740 4.232 ( 0.111 5.808 5.552) 8.035 4.410 ( -1.151 -0.099 -2.434) 2.694 4.724 ( -6.574 -9.088 4.519) 12.093 5.238 ( 1.067 0.584 -0.510) 1.318 5.377 ( -4.323 -1.961 0.821) 4.817 5.570 ( 6.252 0.424 -6.507) 9.034 5.782 ( -0.288 -0.990 0.683) 1.237 5.967 ( -1.556 2.363 1.249) 3.093 6.203 ( 2.003 2.236 0.609) 3.063 6.527 ( 4.249 7.896 0.096) 8.967 7.038 ( 1.838 6.166 -3.802) 7.474 7.077 ( 5.041 6.640 4.555) 9.501 8.515 ( 1.178 -1.701 4.320) 4.790 8.699 ( 0.054 5.103 -1.197) 5.241 9.442 ( -0.037 -1.361 -4.517) 4.718 10.332 ( -0.285 3.639 0.554) 3.692 10.437 ( 3.790 4.908 -1.796) 6.456 10.593 ( 0.541 -1.541 1.409) 2.157 10.852 ( 1.472 -3.056 2.164) 4.024 10.955 ( -0.379 6.839 4.766) 8.345 11.181 ( 4.773 1.762 -5.787) 7.706 11.754 ( -3.040 -0.872 0.601) 3.219 11.973 ( 6.477 6.221 -1.453) 9.097 12.346 ( -3.033 -6.160 2.100) 7.180 12.388 ( -3.010 2.772 -2.071) 4.586 12.715 ( -1.032 -3.238 -2.474) 4.203 12.779 ( -3.598 -5.831 0.503) 6.870 13.231 ( 1.004 -8.136 6.106) 10.222 13.319 ( -7.254 -1.831 -0.085) 7.482 14.139 ( 4.486 -1.107 -7.715) 8.993 14.245 ( 2.919 1.380 -1.249) 3.462 14.622 ( 0.328 11.094 5.936) 12.587 15.374 ( 2.849 4.818 -1.459) 5.785 16.519 ( -9.428 -11.002 2.862) 14.770 16.698 ( -6.620 -0.939 -1.917) 6.956 17.117 ( 11.973 -15.030 3.259) 19.490 17.619 ( -4.962 16.694 -5.428) 18.242 18.029 ( 2.190 8.125 6.747) 10.786 18.219 ( 9.898 6.788 -4.740) 12.904 18.922 ( -1.714 -4.450 1.756) 5.081 19.667 ( 0.821 -6.107 -2.429) 6.623 19.755 ( -6.999 -0.373 -2.621) 7.483 20.324 ( -2.024 -7.733 1.617) 8.156 20.710 ( 0.460 2.836 3.162) 4.272 21.047 ( 1.625 2.710 -0.718) 3.240 ======================= Grid point 179 (81/90) ======================= q-point: ( 0.38 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 8.557 -16.261 7.128) 19.709 2.121 ( 11.814 -3.383 3.878) 12.886 2.603 ( -1.268 0.004 -11.038) 11.111 2.668 ( 2.583 -2.596 -3.508) 5.071 2.994 ( 3.311 0.007 7.602) 8.291 3.094 ( 1.980 -4.291 7.118) 8.544 3.232 ( 5.736 1.832 3.827) 7.135 3.292 ( -1.700 0.188 -1.703) 2.414 3.544 ( 2.484 -1.133 -9.206) 9.602 3.687 ( -3.231 1.310 1.750) 3.901 3.749 ( 0.773 6.300 4.403) 7.725 3.961 ( -6.560 -10.769 -7.067) 14.455 4.122 ( -9.650 6.856 2.332) 12.065 4.330 ( 10.137 -1.140 2.076) 10.410 5.021 ( -0.257 -6.344 0.034) 6.350 5.131 ( 6.033 12.725 -2.623) 14.325 5.379 ( -1.850 -2.562 3.674) 4.846 5.548 ( -1.306 -7.098 -0.645) 7.246 5.777 ( -0.146 -1.888 2.917) 3.477 5.916 ( 0.886 4.295 -0.540) 4.418 6.264 ( -7.102 0.048 -3.295) 7.829 6.429 ( -5.824 8.704 -2.459) 10.758 6.865 ( -3.432 1.141 1.927) 4.098 7.155 ( -3.626 6.084 -6.036) 9.306 8.631 ( 3.548 3.285 -8.438) 9.725 8.885 ( -1.614 1.243 -13.879) 14.028 9.418 ( 4.291 -6.718 0.866) 8.019 10.386 ( -2.126 2.239 -2.090) 3.728 10.401 ( -4.219 1.159 -4.377) 6.189 10.599 ( 0.065 3.406 -1.273) 3.637 10.839 ( 5.895 2.456 3.630) 7.346 10.857 ( -0.777 1.296 5.265) 5.478 11.107 ( -8.979 -1.349 -0.902) 9.124 11.677 ( -0.185 1.421 4.977) 5.179 11.918 ( -8.656 4.253 -2.922) 10.078 12.173 ( -0.125 -3.042 9.257) 9.745 12.509 ( 7.571 1.461 -0.346) 7.718 12.679 ( -4.157 -0.416 -0.917) 4.277 12.906 ( 11.219 -8.919 1.900) 14.458 13.299 ( 5.610 0.097 2.227) 6.037 13.455 ( -5.592 -6.732 1.107) 8.821 13.895 ( 5.625 -3.259 5.034) 8.222 14.149 ( -5.104 4.086 -0.364) 6.548 14.790 ( -11.254 7.835 -10.125) 17.046 15.184 ( 6.249 5.434 4.363) 9.360 16.664 ( 5.535 -5.780 2.984) 8.541 16.977 ( -6.818 -16.880 -4.267) 18.698 17.262 ( 18.850 4.504 -10.945) 22.258 17.365 ( -7.994 4.994 5.902) 11.121 17.941 ( -3.978 9.233 0.758) 10.082 18.110 ( -11.545 3.125 -2.099) 12.144 18.967 ( 3.050 -0.042 -0.260) 3.061 19.528 ( 6.068 -3.089 7.897) 10.428 19.761 ( -3.316 -0.594 4.602) 5.703 20.360 ( -0.860 -9.252 4.244) 10.216 20.821 ( 4.271 6.163 -6.340) 9.819 21.035 ( -3.019 1.372 -2.414) 4.101 ======================= Grid point 180 (82/90) ======================= q-point: ( 0.50 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 4.794 -8.980 12.683) 16.263 2.280 ( 5.479 -0.718 2.400) 6.024 2.420 ( 1.757 -5.118 -12.674) 13.781 2.581 ( -1.077 -4.837 -5.261) 7.227 3.099 ( 0.820 -8.404 3.501) 9.141 3.172 ( -1.843 -4.887 8.219) 9.738 3.202 ( 2.259 -0.381 -0.136) 2.295 3.327 ( 2.225 -1.208 -6.389) 6.872 3.406 ( -1.662 -5.847 -5.463) 8.173 3.669 ( -3.786 0.138 -0.280) 3.799 3.834 ( 4.183 3.245 1.002) 5.388 3.926 ( 2.963 9.532 5.839) 11.565 4.086 ( -9.099 7.353 2.363) 11.935 4.444 ( 3.993 3.122 -1.373) 5.251 4.935 ( 1.102 -9.365 -3.859) 10.189 5.237 ( 2.223 1.897 -2.297) 3.716 5.433 ( -0.179 -8.169 -1.403) 8.290 5.453 ( 0.311 1.448 7.457) 7.603 5.801 ( 0.132 0.231 0.604) 0.660 5.944 ( -0.073 2.464 -0.436) 2.503 6.194 ( 0.079 3.443 -0.438) 3.472 6.379 ( -7.141 9.277 -1.703) 11.830 6.898 ( -1.217 2.412 4.673) 5.398 7.076 ( -2.344 7.394 -6.564) 10.162 8.612 ( 1.804 4.746 -3.423) 6.123 8.673 ( -3.323 1.211 -11.866) 12.382 9.445 ( 3.171 -2.915 0.662) 4.358 10.315 ( -2.102 1.124 -2.492) 3.448 10.366 ( -1.189 4.416 -1.236) 4.738 10.613 ( 1.198 2.661 -0.636) 2.987 10.905 ( -4.355 -1.367 -0.446) 4.586 10.938 ( 3.502 0.430 1.087) 3.692 11.052 ( -1.388 3.259 5.105) 6.214 11.746 ( 0.964 0.394 2.983) 3.160 11.845 ( -5.306 5.828 0.654) 7.909 12.274 ( 0.810 -1.444 6.881) 7.077 12.514 ( 0.938 -3.172 -4.859) 5.878 12.669 ( 0.364 1.968 1.286) 2.379 12.979 ( 8.516 -12.787 -0.457) 15.370 13.289 ( -5.202 -9.144 3.156) 10.983 13.391 ( 1.515 -3.401 -0.614) 3.774 14.014 ( 0.823 9.378 2.519) 9.746 14.217 ( 4.694 0.158 7.772) 9.080 14.558 ( -10.141 6.468 -10.782) 16.153 15.324 ( 2.217 7.711 0.067) 8.024 16.709 ( 1.074 -16.568 -2.960) 16.865 16.743 ( 3.796 -8.367 1.440) 9.300 17.288 ( -10.821 3.268 0.848) 11.336 17.444 ( 14.440 3.742 -4.488) 15.578 17.965 ( -8.743 5.156 -2.456) 10.443 18.020 ( -2.638 12.127 4.223) 13.109 18.988 ( 1.146 -1.741 -0.422) 2.127 19.696 ( 5.069 -1.130 5.764) 7.759 19.748 ( -1.187 -4.625 1.822) 5.110 20.337 ( -1.263 -8.060 6.157) 10.221 20.792 ( 0.794 3.479 -9.166) 9.836 21.003 ( -1.108 2.854 -0.247) 3.071 ======================= Grid point 181 (83/90) ======================= q-point: (-0.38 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( -1.769 -13.245 -3.634) 13.847 2.217 ( 1.165 -2.358 0.497) 2.676 2.255 ( -1.038 -5.266 -5.078) 7.388 2.543 ( 1.318 -0.451 3.738) 3.989 3.038 ( -1.244 -8.879 3.378) 9.581 3.133 ( -2.437 -5.081 -3.754) 6.771 3.228 ( -2.340 -3.710 7.159) 8.396 3.307 ( 0.805 -2.594 -3.155) 4.163 3.348 ( 7.887 -0.422 -3.292) 8.557 3.667 ( 4.653 4.025 -2.288) 6.564 3.875 ( -8.629 1.893 5.087) 10.195 4.051 ( -4.727 7.038 -2.970) 8.983 4.158 ( 5.265 9.070 5.762) 11.966 4.390 ( -0.029 -5.047 -8.589) 9.963 4.887 ( 2.777 -3.084 1.797) 4.522 5.173 ( -1.668 -2.156 -4.289) 5.082 5.383 ( 2.296 -5.746 1.065) 6.279 5.548 ( -3.905 -0.114 5.042) 6.378 5.797 ( -0.443 -0.164 -0.810) 0.938 5.949 ( 1.951 1.817 -2.109) 3.399 6.282 ( -2.899 8.118 3.881) 9.454 6.371 ( 2.768 6.809 -0.350) 7.359 6.993 ( 0.587 4.094 6.010) 7.295 7.033 ( -0.496 8.880 -5.578) 10.498 8.524 ( -1.593 0.100 -4.472) 4.748 8.664 ( 1.990 4.907 1.735) 5.572 9.449 ( -0.439 -2.335 -0.741) 2.489 10.311 ( 1.366 2.660 0.849) 3.108 10.388 ( -0.728 5.903 0.484) 5.968 10.647 ( -1.104 3.382 0.368) 3.576 10.797 ( -0.253 -4.590 -3.445) 5.745 10.987 ( 2.463 2.819 -2.122) 4.303 11.131 ( -3.082 3.855 5.121) 7.113 11.779 ( 2.237 0.323 -1.557) 2.745 11.891 ( -2.344 7.234 4.937) 9.066 12.358 ( 2.287 -0.405 3.332) 4.062 12.416 ( -0.855 -4.616 -4.564) 6.548 12.696 ( 0.520 2.020 -0.577) 2.165 12.889 ( -0.074 -14.550 -4.080) 15.112 13.236 ( -2.436 -9.356 5.900) 11.326 13.378 ( 2.873 -3.824 -0.588) 4.819 14.122 ( -1.328 11.369 0.664) 11.466 14.302 ( -9.562 0.330 -6.613) 11.631 14.462 ( 10.169 2.711 6.709) 12.480 15.362 ( -0.283 9.842 -5.450) 11.253 16.579 ( 0.013 -14.901 4.196) 15.481 16.797 ( 9.164 -9.975 0.587) 13.558 17.124 ( -17.777 0.429 2.110) 17.907 17.600 ( 11.481 8.564 -6.269) 15.635 17.902 ( 0.009 5.117 -2.152) 5.551 18.162 ( -3.070 12.828 6.470) 14.691 18.953 ( -0.404 -4.313 -1.619) 4.625 19.644 ( -0.515 -8.511 -4.003) 9.420 19.833 ( 1.691 1.934 2.390) 3.509 20.399 ( -1.502 -6.341 11.569) 13.278 20.671 ( 0.932 1.048 -9.639) 9.740 21.024 ( -0.046 3.301 0.415) 3.327 ======================= Grid point 182 (84/90) ======================= q-point: (-0.25 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -3.968 -15.976 -14.498) 21.935 2.046 ( 3.225 -11.330 -11.376) 16.376 2.401 ( -2.383 0.411 13.690) 13.902 2.637 ( 0.554 3.594 5.667) 6.733 2.994 ( -4.540 -6.505 -0.730) 7.966 3.086 ( 5.691 -2.641 -1.077) 6.366 3.238 ( -2.480 -1.435 0.707) 2.951 3.275 ( -2.301 -0.605 -0.656) 2.468 3.360 ( 4.965 -6.391 2.277) 8.407 3.768 ( 5.151 4.504 -1.393) 6.983 3.808 ( -9.741 -1.228 5.464) 11.236 3.969 ( -0.776 3.702 -7.927) 8.783 4.204 ( 4.837 -11.630 -5.538) 13.760 4.362 ( 0.986 14.379 -0.759) 14.433 4.883 ( -8.851 -6.256 5.965) 12.372 5.175 ( 7.578 3.622 -0.260) 8.403 5.404 ( 3.191 -1.282 -0.508) 3.476 5.502 ( -6.970 -1.239 0.945) 7.142 5.767 ( -0.161 -2.402 -0.937) 2.584 5.972 ( 2.842 2.639 -2.056) 4.390 6.302 ( -6.022 5.844 3.371) 9.044 6.518 ( 5.923 4.871 1.626) 7.839 7.026 ( 0.032 10.553 -4.764) 11.578 7.153 ( 3.374 5.469 6.668) 9.260 8.526 ( 3.259 -1.384 3.990) 5.334 8.773 ( 0.847 2.754 6.252) 6.884 9.370 ( -2.317 -4.105 -4.077) 6.232 10.387 ( 0.940 3.373 2.803) 4.485 10.450 ( -0.781 6.551 1.591) 6.786 10.617 ( -1.048 1.674 -0.143) 1.980 10.794 ( 4.364 -2.041 0.348) 4.831 10.983 ( 2.517 2.321 -6.050) 6.951 11.181 ( -4.134 6.383 4.018) 8.600 11.751 ( -0.780 -0.490 -4.700) 4.789 11.996 ( -0.128 6.468 4.428) 7.840 12.295 ( -1.523 -1.867 -7.441) 7.821 12.422 ( 2.099 -0.285 1.875) 2.829 12.699 ( -5.262 -8.094 -0.538) 9.669 12.720 ( 3.274 -2.730 -1.228) 4.437 13.224 ( 1.641 -6.637 2.160) 7.170 13.388 ( -1.086 -4.750 3.728) 6.135 13.973 ( -6.988 -3.155 -13.966) 15.932 14.261 ( 0.498 9.044 1.129) 9.127 14.727 ( 8.653 -1.417 10.134) 13.401 15.338 ( -0.624 11.033 -7.814) 13.535 16.590 ( 0.998 -3.695 5.836) 6.979 16.805 ( -5.109 -11.931 3.627) 13.476 16.967 ( -3.575 -5.588 4.816) 8.198 17.663 ( 2.179 14.073 -9.122) 16.911 18.014 ( 10.892 3.411 1.729) 11.544 18.270 ( -5.495 11.751 2.225) 13.161 18.898 ( 1.185 -5.660 0.204) 5.786 19.494 ( 0.413 -10.792 -6.714) 12.717 19.838 ( -4.358 3.061 -1.653) 5.576 20.368 ( -8.537 -3.729 -0.721) 9.343 20.711 ( 8.851 -0.906 5.076) 10.244 21.058 ( 0.101 2.931 0.961) 3.086 ======================= Grid point 228 (85/90) ======================= q-point: ( 0.38 0.38 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( -0.000 0.000 0.361) 0.361 2.426 ( 0.000 0.000 -4.375) 4.375 2.426 ( 0.000 -0.000 -4.375) 4.375 2.945 ( -0.000 0.000 12.508) 12.508 2.945 ( -0.000 0.000 12.508) 12.508 3.076 ( -0.000 0.000 3.828) 3.828 3.225 ( -0.000 0.000 5.357) 5.357 3.225 ( 0.000 0.000 5.357) 5.357 3.665 ( 0.000 -0.000 -4.212) 4.212 3.665 ( 0.000 -0.000 -4.212) 4.212 3.697 ( 0.000 -0.000 -2.834) 2.834 4.097 ( 0.000 -0.000 -7.140) 7.140 4.163 ( 0.000 -0.000 -8.118) 8.118 4.163 ( 0.000 -0.000 -8.118) 8.118 5.123 ( 0.000 0.000 1.701) 1.701 5.123 ( 0.000 0.000 1.701) 1.701 5.156 ( -0.000 0.000 11.366) 11.366 5.498 ( -0.000 0.000 14.612) 14.612 5.885 ( 0.000 -0.000 -3.441) 3.441 5.885 ( 0.000 -0.000 -3.441) 3.441 6.134 ( 0.000 -0.000 -6.800) 6.800 6.330 ( 0.000 -0.000 -4.231) 4.231 6.948 ( -0.000 -0.000 -4.264) 4.264 6.948 ( 0.000 -0.000 -4.264) 4.264 8.929 ( 0.000 0.000 -15.068) 15.068 8.929 ( 0.000 -0.000 -15.068) 15.068 9.668 ( 0.000 -0.000 -3.542) 3.542 10.350 ( 0.000 -0.000 -1.979) 1.979 10.350 ( 0.000 -0.000 -1.979) 1.979 10.564 ( 0.000 -0.000 -3.071) 3.071 10.800 ( -0.000 0.000 6.740) 6.740 10.800 ( -0.000 -0.000 6.740) 6.740 11.052 ( 0.000 -0.000 -7.420) 7.420 11.626 ( 0.000 0.000 2.640) 2.640 11.626 ( 0.000 -0.000 2.640) 2.640 12.141 ( -0.000 0.000 2.036) 2.036 12.622 ( 0.000 0.000 2.436) 2.436 12.622 ( 0.000 -0.000 2.436) 2.436 13.226 ( -0.000 0.000 8.800) 8.800 13.226 ( -0.000 0.000 8.800) 8.800 13.468 ( 0.000 -0.000 -1.822) 1.822 13.931 ( 0.000 -0.000 -4.372) 4.372 14.339 ( 0.000 0.000 -3.841) 3.841 14.339 ( 0.000 0.000 -3.841) 3.841 15.111 ( -0.000 0.000 3.469) 3.469 17.017 ( -0.000 0.000 4.205) 4.205 17.017 ( -0.000 0.000 4.205) 4.205 17.443 ( -0.000 0.000 4.503) 4.503 17.565 ( 0.000 -0.000 -12.927) 12.927 17.565 ( 0.000 -0.000 -12.927) 12.927 17.852 ( -0.000 0.000 2.045) 2.045 19.014 ( 0.000 -0.000 -2.158) 2.158 19.535 ( -0.000 0.000 10.270) 10.270 19.535 ( -0.000 0.000 10.270) 10.270 20.698 ( -0.000 0.000 -1.263) 1.263 20.698 ( 0.000 -0.000 -1.263) 1.263 20.977 ( 0.000 -0.000 -2.892) 2.892 ======================= Grid point 231 (86/90) ======================= q-point: (-0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( -6.050 -3.695 4.517) 8.406 2.300 ( -5.670 0.338 -2.824) 6.343 2.446 ( 5.995 0.813 -5.232) 7.998 2.961 ( -9.743 -3.614 -0.243) 10.395 3.088 ( -5.103 -1.827 10.067) 11.433 3.144 ( 0.843 -2.310 5.611) 6.126 3.244 ( -0.427 -0.939 4.238) 4.362 3.298 ( -1.162 -2.613 5.520) 6.217 3.610 ( 0.562 0.545 -4.526) 4.593 3.634 ( -3.503 1.511 -4.657) 6.020 3.673 ( 2.218 -4.183 1.574) 4.990 3.919 ( 1.789 -0.560 -1.434) 2.360 4.074 ( -1.388 5.816 -7.403) 9.516 4.242 ( 11.551 6.849 -6.209) 14.795 5.074 ( -2.573 -12.667 4.047) 13.544 5.143 ( -5.283 4.273 3.228) 7.523 5.360 ( 3.935 4.322 6.207) 8.526 5.643 ( -1.395 -0.074 6.036) 6.196 5.830 ( 1.974 -2.512 -2.824) 4.264 5.848 ( -2.072 2.974 -2.240) 4.261 6.096 ( 5.413 1.776 -3.116) 6.493 6.283 ( 1.483 1.554 -4.602) 5.079 6.852 ( -1.292 -0.646 -1.578) 2.139 6.978 ( 5.499 2.787 -4.416) 7.583 8.655 ( -2.895 -2.891 -11.889) 12.574 8.796 ( 4.183 2.793 -14.978) 15.800 9.587 ( -3.414 -0.281 -3.670) 5.021 10.305 ( 1.619 -0.380 -3.924) 4.262 10.333 ( 1.917 1.629 -3.724) 4.494 10.565 ( 0.529 0.908 1.444) 1.786 10.846 ( -2.680 -2.503 7.883) 8.695 10.893 ( -0.990 -4.957 1.648) 5.317 11.022 ( 3.497 6.620 -1.011) 7.555 11.648 ( -0.423 -0.554 4.835) 4.885 11.734 ( 5.284 3.362 1.133) 6.364 12.186 ( 1.141 1.459 3.208) 3.704 12.592 ( -2.926 -5.330 1.352) 6.229 12.662 ( 0.017 3.081 -0.427) 3.111 13.234 ( -9.846 -4.730 7.269) 13.121 13.354 ( -0.760 -4.701 6.313) 7.908 13.475 ( 1.539 3.337 0.833) 3.768 13.920 ( 2.975 4.112 -3.336) 6.073 14.133 ( -5.859 -5.239 -0.604) 7.883 14.461 ( 11.512 7.499 -7.351) 15.582 15.157 ( -0.187 -1.198 3.100) 3.329 16.949 ( -10.518 -5.145 2.965) 12.078 17.132 ( 3.032 3.046 6.931) 8.155 17.302 ( -4.982 -3.701 -10.165) 11.910 17.363 ( -4.001 -5.019 -6.813) 9.361 17.669 ( 10.396 7.639 0.234) 12.903 17.894 ( 5.930 3.441 -2.771) 7.395 19.006 ( -1.042 -0.723 1.529) 1.987 19.635 ( -2.717 -0.722 8.462) 8.916 19.699 ( 2.629 0.912 7.889) 8.366 20.563 ( -6.186 -2.481 0.401) 6.677 20.740 ( 2.578 -0.155 -5.374) 5.963 20.962 ( 2.283 1.677 -2.230) 3.606 ======================= Grid point 232 (87/90) ======================= q-point: (-0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( -10.106 -2.882 8.812) 13.714 2.223 ( -5.513 -1.349 3.563) 6.701 2.412 ( 2.875 -0.736 -10.457) 10.870 2.695 ( -11.675 -5.258 -5.772) 14.045 3.110 ( -3.828 -4.511 7.286) 9.386 3.216 ( -5.460 -2.213 4.006) 7.124 3.254 ( -2.063 -7.328 3.249) 8.278 3.289 ( 0.346 -0.297 0.878) 0.989 3.466 ( -4.909 -1.158 -6.841) 8.499 3.578 ( 4.795 -3.700 -0.250) 6.062 3.817 ( 5.502 8.525 4.181) 10.974 3.996 ( -2.699 8.587 -6.810) 11.287 4.047 ( 10.156 1.287 0.752) 10.265 4.342 ( 3.418 3.873 -0.349) 5.177 4.967 ( -2.827 -12.524 2.007) 12.995 5.159 ( -4.314 2.949 3.261) 6.160 5.449 ( -2.192 -1.040 2.408) 3.418 5.621 ( -3.456 3.238 -3.528) 5.906 5.797 ( 0.930 -1.448 -1.075) 2.029 5.883 ( 1.563 1.537 2.676) 3.459 6.193 ( 8.708 3.451 -1.842) 9.546 6.282 ( 4.984 3.408 -3.406) 6.932 6.873 ( 3.040 1.683 2.773) 4.446 7.001 ( 4.901 2.410 -5.284) 7.600 8.511 ( -0.029 -1.914 -3.152) 3.687 8.687 ( 3.585 2.429 -10.383) 11.250 9.498 ( -4.153 0.172 -1.383) 4.380 10.293 ( 3.416 -0.280 -2.453) 4.215 10.331 ( 3.008 2.975 -2.890) 5.123 10.607 ( 0.168 2.410 1.449) 2.817 10.836 ( -2.213 -5.167 0.949) 5.700 10.909 ( 0.873 -2.820 5.953) 6.645 11.107 ( 2.826 6.487 -1.908) 7.329 11.723 ( 1.296 0.246 4.308) 4.506 11.830 ( 5.829 4.223 -2.126) 7.506 12.282 ( 2.531 2.616 4.296) 5.631 12.508 ( -4.868 -5.691 0.266) 7.494 12.672 ( 0.595 2.345 -1.058) 2.640 13.089 ( -14.465 -7.957 3.442) 16.864 13.350 ( -3.970 -4.510 3.795) 7.107 13.481 ( -1.725 -2.674 -3.467) 4.706 13.973 ( 4.494 7.832 -0.661) 9.054 14.148 ( 1.444 0.992 7.404) 7.608 14.527 ( 9.472 3.620 -10.942) 14.919 15.199 ( 1.473 -0.121 4.850) 5.070 16.793 ( -11.502 -3.972 0.773) 12.193 17.045 ( -3.563 -17.657 -7.481) 19.504 17.184 ( -10.989 13.749 -4.269) 18.111 17.357 ( 10.338 -0.688 7.309) 12.680 17.820 ( 6.039 0.647 0.570) 6.101 18.012 ( 11.281 9.235 -3.756) 15.055 18.996 ( -2.801 -1.994 1.633) 3.806 19.677 ( -4.868 -1.956 6.163) 8.093 19.809 ( 1.640 1.010 2.323) 3.018 20.541 ( -3.850 2.720 5.377) 7.151 20.632 ( 0.513 -6.001 -8.354) 10.299 20.986 ( 2.786 2.160 -1.598) 3.871 ======================= Grid point 239 (88/90) ======================= q-point: (-0.50 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 0.946 -8.005 4.367) 9.168 2.340 ( 2.084 0.046 0.203) 2.095 2.365 ( -2.654 3.791 -4.848) 6.702 2.911 ( 1.425 -13.507 -4.324) 14.254 3.209 ( -1.262 -0.953 5.579) 5.799 3.235 ( 0.109 -0.636 3.663) 3.719 3.281 ( -0.137 -7.910 6.962) 10.539 3.386 ( -2.502 -1.188 3.885) 4.771 3.519 ( -0.689 -5.728 -5.124) 7.716 3.605 ( 2.134 4.975 -3.976) 6.717 3.738 ( -3.903 2.456 1.415) 4.824 3.882 ( 0.276 -3.107 -1.833) 3.618 3.932 ( 5.458 2.874 -1.037) 6.255 4.198 ( -0.423 17.494 -5.428) 18.321 5.107 ( -3.492 -8.914 4.144) 10.432 5.238 ( 1.410 1.832 0.052) 2.313 5.429 ( 1.141 2.237 6.726) 7.180 5.644 ( 1.281 -6.580 -2.503) 7.155 5.796 ( -1.925 0.131 -0.058) 1.931 5.850 ( 1.845 5.286 -1.931) 5.922 6.064 ( -1.315 3.754 0.485) 4.007 6.222 ( 0.671 1.491 -3.424) 3.794 6.850 ( -0.422 0.634 0.924) 1.198 6.918 ( 0.193 4.630 -4.022) 6.136 8.546 ( -1.364 0.269 -5.455) 5.629 8.606 ( 1.006 3.013 -10.423) 10.896 9.546 ( 0.691 -2.354 -2.239) 3.321 10.259 ( -0.971 0.921 -2.007) 2.412 10.282 ( 0.621 2.468 -3.068) 3.986 10.597 ( 0.608 0.541 2.218) 2.363 10.869 ( -0.936 -0.607 -2.080) 2.361 10.961 ( -3.758 -1.978 4.717) 6.347 11.022 ( 3.958 3.133 1.322) 5.218 11.715 ( 0.684 0.523 3.370) 3.478 11.738 ( -0.600 1.578 1.725) 2.414 12.227 ( 0.376 3.987 1.985) 4.470 12.603 ( -2.211 -4.323 -0.095) 4.856 12.652 ( 2.018 1.081 -0.648) 2.379 13.352 ( 4.287 -8.695 2.973) 10.140 13.396 ( -7.353 -6.702 4.319) 10.846 13.476 ( 2.078 -1.187 2.248) 3.283 13.871 ( 1.951 2.745 -1.717) 3.780 14.189 ( -2.471 2.853 2.797) 4.698 14.319 ( 1.676 8.178 -8.338) 11.799 15.207 ( -0.435 1.949 1.620) 2.571 17.042 ( -0.769 -9.500 0.758) 9.561 17.089 ( 6.905 -12.420 2.806) 14.485 17.144 ( -6.883 -3.445 -2.367) 8.053 17.411 ( 0.309 8.535 -6.955) 11.014 17.670 ( 0.816 13.217 2.578) 13.491 17.834 ( -0.269 2.615 -2.494) 3.623 19.035 ( -0.082 -1.346 1.817) 2.263 19.752 ( 0.764 -0.229 5.586) 5.642 19.769 ( -0.550 -0.251 3.975) 4.020 20.537 ( 0.738 -8.168 1.678) 8.371 20.699 ( -1.171 4.403 -5.786) 7.364 20.933 ( 0.263 2.275 -1.160) 2.568 ======================= Grid point 241 (89/90) ======================= q-point: (-0.38 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( -2.840 -3.351 -7.823) 8.971 2.287 ( -0.447 -4.021 7.031) 8.112 2.336 ( -0.505 0.613 -0.166) 0.811 2.702 ( -7.991 -13.483 -1.103) 15.712 3.210 ( -3.051 -3.914 2.706) 5.652 3.249 ( -0.873 -2.807 -1.659) 3.376 3.267 ( 0.461 -9.139 4.924) 10.391 3.330 ( -6.106 -3.282 -3.959) 7.983 3.435 ( -2.271 -1.191 3.487) 4.328 3.607 ( -0.452 4.885 1.146) 5.037 3.817 ( 4.209 8.227 -2.716) 9.632 3.864 ( 5.323 -3.389 -2.051) 6.635 4.025 ( 1.023 7.396 -0.882) 7.519 4.318 ( 6.624 11.031 -0.503) 12.877 5.023 ( -6.438 -9.593 4.628) 12.446 5.223 ( 0.203 -0.398 -1.927) 1.978 5.504 ( -2.097 0.153 1.570) 2.624 5.552 ( -0.273 -5.479 -4.530) 7.114 5.790 ( -0.176 0.287 1.053) 1.105 5.898 ( 2.277 4.172 -0.833) 4.826 6.121 ( 2.325 2.907 1.836) 4.150 6.246 ( 3.370 7.092 -1.022) 7.918 6.906 ( 2.279 3.546 2.128) 4.722 6.916 ( 1.834 3.495 -1.797) 4.337 8.516 ( 0.651 0.256 2.530) 2.625 8.571 ( 1.827 4.113 -1.902) 4.886 9.501 ( -1.384 -2.508 -1.083) 3.063 10.265 ( 0.730 1.847 1.214) 2.328 10.294 ( 2.197 3.369 -0.777) 4.097 10.612 ( -0.008 -0.272 -1.085) 1.118 10.862 ( 0.919 1.363 1.718) 2.378 10.960 ( -2.597 -3.283 3.106) 5.213 11.069 ( 2.388 3.094 -3.519) 5.259 11.756 ( 0.370 1.546 -0.473) 1.659 11.778 ( 2.402 3.149 0.296) 3.971 12.296 ( 2.329 4.485 -0.702) 5.102 12.538 ( -3.167 -5.863 1.754) 6.891 12.661 ( 0.737 1.547 -1.379) 2.199 13.196 ( -8.237 -13.862 -0.547) 16.134 13.406 ( -0.454 -6.700 2.977) 7.346 13.445 ( -4.480 -1.702 -0.708) 4.845 13.923 ( 3.780 6.399 -2.447) 7.825 14.251 ( 4.127 1.346 1.068) 4.470 14.358 ( 2.383 9.623 -0.426) 9.923 15.237 ( 1.571 2.567 0.541) 3.058 16.883 ( -2.420 -15.339 -1.456) 15.597 16.954 ( -14.900 -4.574 0.827) 15.608 17.213 ( 9.923 -6.622 2.791) 12.252 17.375 ( -2.793 9.282 -2.436) 9.995 17.847 ( 0.656 10.442 3.052) 10.899 17.877 ( 9.551 6.795 -2.909) 12.077 19.024 ( -1.387 -2.458 0.186) 2.829 19.765 ( -1.034 -2.389 -0.486) 2.648 19.800 ( -0.457 -0.013 -0.043) 0.460 20.519 ( -2.980 -5.644 -1.561) 6.570 20.645 ( 0.845 1.881 2.321) 3.105 20.959 ( 1.645 2.827 -0.329) 3.287 ======================= Grid point 318 (90/90) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( -0.000 0.000 0.000) 0.000 2.296 ( 0.000 0.000 0.000) 0.000 2.367 ( 0.000 0.000 0.000) 0.000 2.995 ( 0.000 0.000 0.000) 0.000 3.264 ( -0.000 0.000 -0.000) 0.000 3.264 ( 0.000 0.000 0.000) 0.000 3.436 ( 0.000 0.000 -0.000) 0.000 3.436 ( -0.000 0.000 0.000) 0.000 3.515 ( -0.000 0.000 -0.000) 0.000 3.515 ( 0.000 0.000 0.000) 0.000 3.826 ( -0.000 -0.000 0.000) 0.000 3.884 ( -0.000 0.000 0.000) 0.000 3.884 ( 0.000 0.000 0.000) 0.000 3.917 ( -0.000 0.000 0.000) 0.000 5.230 ( -0.000 -0.000 0.000) 0.000 5.230 ( 0.000 0.000 0.000) 0.000 5.450 ( 0.000 0.000 0.000) 0.000 5.689 ( -0.000 0.000 0.000) 0.000 5.778 ( 0.000 0.000 0.000) 0.000 5.778 ( 0.000 0.000 0.000) 0.000 6.042 ( 0.000 0.000 0.000) 0.000 6.189 ( -0.000 0.000 0.000) 0.000 6.852 ( -0.000 0.000 0.000) 0.000 6.852 ( 0.000 0.000 0.000) 0.000 8.505 ( -0.000 0.000 0.000) 0.000 8.505 ( 0.000 0.000 0.000) 0.000 9.549 ( -0.000 0.000 0.000) 0.000 10.238 ( 0.000 0.000 0.000) 0.000 10.238 ( 0.000 0.000 0.000) 0.000 10.619 ( 0.000 0.000 -0.000) 0.000 10.839 ( 0.000 0.000 0.000) 0.000 11.012 ( -0.000 0.000 0.000) 0.000 11.012 ( -0.000 0.000 0.000) 0.000 11.742 ( -0.000 0.000 -0.000) 0.000 11.742 ( 0.000 0.000 0.000) 0.000 12.200 ( -0.000 0.000 0.000) 0.000 12.639 ( 0.000 0.000 0.000) 0.000 12.639 ( -0.000 0.000 0.000) 0.000 13.431 ( -0.000 0.000 0.000) 0.000 13.501 ( -0.000 0.000 0.000) 0.000 13.501 ( -0.000 0.000 0.000) 0.000 13.850 ( 0.000 0.000 0.000) 0.000 14.175 ( -0.000 0.000 0.000) 0.000 14.175 ( -0.000 0.000 0.000) 0.000 15.211 ( 0.000 0.000 0.000) 0.000 17.159 ( -0.000 0.000 -0.000) 0.000 17.159 ( 0.000 0.000 0.000) 0.000 17.249 ( -0.000 0.000 -0.000) 0.000 17.249 ( -0.000 0.000 0.000) 0.000 17.548 ( 0.000 0.000 0.000) 0.000 17.791 ( 0.000 0.000 0.000) 0.000 19.062 ( -0.000 0.000 0.000) 0.000 19.799 ( -0.000 0.000 0.000) 0.000 19.799 ( 0.000 0.000 0.000) 0.000 20.616 ( -0.000 0.000 0.000) 0.000 20.616 ( 0.000 0.000 0.000) 0.000 20.904 ( 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 3532.998 3532.998 4965.695 0.000 -0.000 -0.000 3/29184 20.0 442.925 442.925 681.448 0.000 -0.000 -0.000 3/29184 30.0 157.096 157.096 251.151 0.000 -0.000 -0.000 3/29184 40.0 81.875 81.875 132.888 0.000 -0.000 -0.000 3/29184 50.0 52.008 52.008 84.884 0.000 -0.000 -0.000 3/29184 60.0 37.083 37.083 60.618 0.000 -0.000 -0.000 3/29184 70.0 28.424 28.424 46.464 0.000 -0.000 -0.000 3/29184 80.0 22.865 22.865 37.355 0.000 -0.000 -0.000 3/29184 90.0 19.032 19.032 31.068 0.000 -0.000 -0.000 3/29184 100.0 16.250 16.250 26.499 0.000 -0.000 -0.000 3/29184 110.0 14.149 14.149 23.044 0.000 -0.000 -0.000 3/29184 120.0 12.515 12.515 20.352 0.000 -0.000 -0.000 3/29184 130.0 11.211 11.211 18.201 0.000 -0.000 -0.000 3/29184 140.0 10.150 10.150 16.448 0.000 -0.000 -0.000 3/29184 150.0 9.272 9.272 14.994 0.000 -0.000 -0.000 3/29184 160.0 8.534 8.534 13.771 0.000 -0.000 -0.000 3/29184 170.0 7.906 7.906 12.730 0.000 -0.000 -0.000 3/29184 180.0 7.366 7.366 11.833 0.000 -0.000 -0.000 3/29184 190.0 6.896 6.896 11.054 0.000 -0.000 -0.000 3/29184 200.0 6.484 6.484 10.371 0.000 -0.000 -0.000 3/29184 210.0 6.120 6.120 9.768 0.000 -0.000 -0.000 3/29184 220.0 5.796 5.796 9.232 0.000 -0.000 -0.000 3/29184 230.0 5.505 5.505 8.752 0.000 -0.000 -0.000 3/29184 240.0 5.244 5.244 8.320 0.000 -0.000 -0.000 3/29184 250.0 5.007 5.007 7.929 0.000 -0.000 -0.000 3/29184 260.0 4.791 4.791 7.574 0.000 -0.000 -0.000 3/29184 270.0 4.593 4.593 7.250 0.000 -0.000 -0.000 3/29184 280.0 4.412 4.412 6.953 0.000 -0.000 -0.000 3/29184 290.0 4.245 4.245 6.680 0.000 -0.000 -0.000 3/29184 300.0 4.091 4.091 6.428 0.000 -0.000 -0.000 3/29184 310.0 3.948 3.948 6.195 0.000 -0.000 -0.000 3/29184 320.0 3.815 3.815 5.979 0.000 -0.000 -0.000 3/29184 330.0 3.691 3.691 5.777 0.000 -0.000 -0.000 3/29184 340.0 3.574 3.574 5.589 0.000 -0.000 -0.000 3/29184 350.0 3.466 3.466 5.413 0.000 -0.000 -0.000 3/29184 360.0 3.363 3.363 5.248 0.000 -0.000 -0.000 3/29184 370.0 3.267 3.267 5.094 0.000 -0.000 -0.000 3/29184 380.0 3.177 3.177 4.948 0.000 -0.000 -0.000 3/29184 390.0 3.091 3.091 4.810 0.000 -0.000 -0.000 3/29184 400.0 3.010 3.010 4.680 0.000 -0.000 -0.000 3/29184 410.0 2.933 2.933 4.557 0.000 -0.000 -0.000 3/29184 420.0 2.860 2.860 4.441 0.000 -0.000 -0.000 3/29184 430.0 2.791 2.791 4.330 0.000 -0.000 -0.000 3/29184 440.0 2.725 2.725 4.225 0.000 -0.000 -0.000 3/29184 450.0 2.662 2.662 4.125 0.000 -0.000 -0.000 3/29184 460.0 2.602 2.602 4.030 0.000 -0.000 -0.000 3/29184 470.0 2.545 2.545 3.939 0.000 -0.000 -0.000 3/29184 480.0 2.490 2.490 3.853 0.000 -0.000 -0.000 3/29184 490.0 2.438 2.438 3.770 0.000 -0.000 -0.000 3/29184 500.0 2.387 2.387 3.690 0.000 -0.000 -0.000 3/29184 510.0 2.339 2.339 3.614 0.000 -0.000 -0.000 3/29184 520.0 2.293 2.293 3.541 0.000 -0.000 -0.000 3/29184 530.0 2.249 2.249 3.471 0.000 -0.000 -0.000 3/29184 540.0 2.206 2.206 3.404 0.000 -0.000 -0.000 3/29184 550.0 2.165 2.165 3.339 0.000 -0.000 -0.000 3/29184 560.0 2.125 2.125 3.277 0.000 -0.000 -0.000 3/29184 570.0 2.087 2.087 3.217 0.000 -0.000 -0.000 3/29184 580.0 2.050 2.050 3.160 0.000 -0.000 -0.000 3/29184 590.0 2.015 2.015 3.104 0.000 -0.000 -0.000 3/29184 600.0 1.981 1.981 3.050 0.000 -0.000 -0.000 3/29184 610.0 1.947 1.947 2.998 0.000 -0.000 -0.000 3/29184 620.0 1.915 1.915 2.948 0.000 -0.000 -0.000 3/29184 630.0 1.884 1.884 2.900 0.000 -0.000 -0.000 3/29184 640.0 1.855 1.855 2.853 0.000 -0.000 -0.000 3/29184 650.0 1.825 1.825 2.808 0.000 -0.000 -0.000 3/29184 660.0 1.797 1.797 2.764 0.000 -0.000 -0.000 3/29184 670.0 1.770 1.770 2.721 0.000 -0.000 -0.000 3/29184 680.0 1.744 1.744 2.680 0.000 -0.000 -0.000 3/29184 690.0 1.718 1.718 2.640 0.000 -0.000 -0.000 3/29184 700.0 1.693 1.693 2.602 0.000 -0.000 -0.000 3/29184 710.0 1.669 1.669 2.564 0.000 -0.000 -0.000 3/29184 720.0 1.645 1.645 2.527 0.000 -0.000 -0.000 3/29184 730.0 1.623 1.623 2.492 0.000 -0.000 -0.000 3/29184 740.0 1.600 1.600 2.457 0.000 -0.000 -0.000 3/29184 750.0 1.579 1.579 2.424 0.000 -0.000 -0.000 3/29184 760.0 1.558 1.558 2.391 0.000 -0.000 -0.000 3/29184 770.0 1.537 1.537 2.359 0.000 -0.000 -0.000 3/29184 780.0 1.517 1.517 2.328 0.000 -0.000 -0.000 3/29184 790.0 1.498 1.498 2.298 0.000 -0.000 -0.000 3/29184 800.0 1.479 1.479 2.269 0.000 -0.000 -0.000 3/29184 810.0 1.461 1.461 2.240 0.000 -0.000 -0.000 3/29184 820.0 1.443 1.443 2.213 0.000 -0.000 -0.000 3/29184 830.0 1.425 1.425 2.185 0.000 -0.000 -0.000 3/29184 840.0 1.408 1.408 2.159 0.000 -0.000 -0.000 3/29184 850.0 1.391 1.391 2.133 0.000 -0.000 -0.000 3/29184 860.0 1.375 1.375 2.108 0.000 -0.000 -0.000 3/29184 870.0 1.359 1.359 2.083 0.000 -0.000 -0.000 3/29184 880.0 1.343 1.343 2.059 0.000 -0.000 -0.000 3/29184 890.0 1.328 1.328 2.035 0.000 -0.000 -0.000 3/29184 900.0 1.313 1.313 2.012 0.000 -0.000 -0.000 3/29184 910.0 1.299 1.299 1.990 0.000 -0.000 -0.000 3/29184 920.0 1.284 1.284 1.968 0.000 -0.000 -0.000 3/29184 930.0 1.271 1.271 1.946 0.000 -0.000 -0.000 3/29184 940.0 1.257 1.257 1.925 0.000 -0.000 -0.000 3/29184 950.0 1.244 1.244 1.905 0.000 -0.000 -0.000 3/29184 960.0 1.231 1.231 1.885 0.000 -0.000 -0.000 3/29184 970.0 1.218 1.218 1.865 0.000 -0.000 -0.000 3/29184 980.0 1.205 1.205 1.846 0.000 -0.000 -0.000 3/29184 990.0 1.193 1.193 1.827 0.000 -0.000 -0.000 3/29184 1000.0 1.181 1.181 1.808 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 23:50:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|