----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 12:29:19]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.701642010288462 0.000000000000000 0.000000000000000 b 0.000000000000000 7.958284000000000 0.000000000000000 c -0.809239776244711 0.000000000000000 14.248933582225206 Atomic positions (fractional): *1 K 0.50257314538684 0.34455293395082 0.10097072736964 39.098 2 K 0.49742685461316 0.84455293395082 0.39902927263036 39.098 3 K 0.50257314538684 0.15544706604918 0.60097072736964 39.098 4 K 0.49742685461316 0.65544706604918 0.89902927263036 39.098 *5 Sr 0.07978882041886 0.51399984220235 0.26035688769782 87.620 6 Sr 0.92021117958114 0.01399984220235 0.23964311230218 87.620 7 Sr 0.92021117958114 0.48600015779765 0.73964311230218 87.620 8 Sr 0.07978882041886 0.98600015779765 0.76035688769782 87.620 *9 B 0.94143968708978 0.28491481142848 0.06210865965812 10.811 *10 B 0.38076025690481 0.99498585121521 0.19351486547617 10.811 *11 B 0.46534872170212 0.21676622915394 0.32764418137978 10.811 12 B 0.05856031291022 0.71508518857152 0.93789134034188 10.811 *13 B 0.81082233258410 0.22329785074451 0.89602482878786 10.811 14 B 0.38076025690481 0.50501414878479 0.69351486547617 10.811 *15 B 0.82981284211049 0.80528781488791 0.56468383758992 10.811 16 B 0.61923974309519 0.49498585121521 0.30648513452383 10.811 17 B 0.82981284211049 0.69471218511209 0.06468383758992 10.811 18 B 0.81082233258410 0.27670214925549 0.39602482878786 10.811 19 B 0.18917766741590 0.77670214925549 0.10397517121214 10.811 20 B 0.53465127829787 0.78323377084606 0.67235581862022 10.811 21 B 0.05856031291022 0.78491481142848 0.43789134034188 10.811 22 B 0.53465127829787 0.71676622915394 0.17235581862022 10.811 23 B 0.17018715788951 0.30528781488791 0.93531616241008 10.811 24 B 0.17018715788951 0.19471218511209 0.43531616241008 10.811 25 B 0.18917766741590 0.72329785074451 0.60397517121214 10.811 26 B 0.94143968708978 0.21508518857152 0.56210865965812 10.811 27 B 0.46534872170212 0.28323377084606 0.82764418137978 10.811 28 B 0.61923974309519 0.00501414878479 0.80648513452383 10.811 *29 O 0.55420398154704 0.59874423949301 0.69548696386674 15.999 *30 O 0.08835436680549 0.70426522994316 0.84573587157356 15.999 *31 O 0.01990681537688 0.23316969645743 0.36881362056076 15.999 *32 O 0.78406953872206 0.45176940267401 0.36282524351935 15.999 *33 O 0.87063433832022 0.67226089536440 0.97165334281678 15.999 34 O 0.87063433832022 0.82773910463560 0.47165334281678 15.999 35 O 0.78406953872206 0.04823059732599 0.86282524351935 15.999 *36 O 0.79405304356499 0.23369771659002 0.99670390631844 15.999 *37 O 0.36417070423890 0.17742193625110 0.41423877326568 15.999 38 O 0.08835436680549 0.79573477005684 0.34573587157356 15.999 *39 O 0.67338514212880 0.16663238709087 0.34109930594438 15.999 40 O 0.20594695643501 0.76630228340998 0.00329609368156 15.999 41 O 0.91164563319451 0.29573477005684 0.15426412842644 15.999 42 O 0.79405304356499 0.26630228340998 0.49670390631844 15.999 43 O 0.12936566167978 0.17226089536440 0.52834665718322 15.999 44 O 0.36417070423890 0.32257806374890 0.91423877326568 15.999 45 O 0.98009318462313 0.76683030354257 0.63118637943924 15.999 46 O 0.32661485787120 0.66663238709087 0.15890069405562 15.999 47 O 0.44579601845296 0.09874423949301 0.80451303613326 15.999 48 O 0.91164563319451 0.20426522994317 0.65426412842644 15.999 49 O 0.63582929576110 0.82257806374890 0.58576122673432 15.999 50 O 0.12936566167978 0.32773910463560 0.02834665718322 15.999 51 O 0.63582929576110 0.67742193625110 0.08576122673432 15.999 52 O 0.67338514212880 0.33336761290913 0.84109930594438 15.999 53 O 0.44579601845296 0.40125576050699 0.30451303613326 15.999 *54 O 0.35890426826022 0.13439554918257 0.24738675429522 15.999 55 O 0.21593046127794 0.95176940267401 0.13717475648065 15.999 56 O 0.55420398154704 0.90125576050699 0.19548696386674 15.999 57 O 0.64109573173977 0.86560445081743 0.75261324570479 15.999 58 O 0.35890426826022 0.36560445081743 0.74738675429521 15.999 59 O 0.64109573173977 0.63439554918257 0.25261324570478 15.999 60 O 0.01990681537688 0.26683030354257 0.86881362056076 15.999 61 O 0.20594695643501 0.73369771659002 0.50329609368156 15.999 62 O 0.32661485787120 0.83336761290913 0.65890069405562 15.999 63 O 0.98009318462313 0.73316969645743 0.13118637943924 15.999 64 O 0.21593046127794 0.54823059732599 0.63717475648065 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.701642010288462 0.000000000000000 0.000000000000000 b 0.000000000000000 7.958284000000000 0.000000000000000 c -0.809239776244711 0.000000000000000 14.248933582225206 Atomic positions (fractional): *1 K 0.50257314538684 0.34455293395082 0.10097072736964 39.098 > 1 2 K 0.49742685461316 0.84455293395082 0.39902927263036 39.098 > 2 3 K 0.50257314538684 0.15544706604918 0.60097072736964 39.098 > 3 4 K 0.49742685461316 0.65544706604918 0.89902927263036 39.098 > 4 *5 Sr 0.07978882041886 0.51399984220235 0.26035688769782 87.620 > 5 6 Sr 0.92021117958114 0.01399984220235 0.23964311230218 87.620 > 6 7 Sr 0.92021117958114 0.48600015779765 0.73964311230218 87.620 > 7 8 Sr 0.07978882041886 0.98600015779765 0.76035688769782 87.620 > 8 *9 B 0.94143968708978 0.28491481142848 0.06210865965812 10.811 > 9 *10 B 0.38076025690481 0.99498585121521 0.19351486547617 10.811 > 10 *11 B 0.46534872170212 0.21676622915394 0.32764418137978 10.811 > 11 12 B 0.05856031291022 0.71508518857152 0.93789134034188 10.811 > 12 *13 B 0.81082233258410 0.22329785074451 0.89602482878786 10.811 > 13 14 B 0.38076025690481 0.50501414878479 0.69351486547617 10.811 > 14 *15 B 0.82981284211049 0.80528781488791 0.56468383758992 10.811 > 15 16 B 0.61923974309519 0.49498585121521 0.30648513452383 10.811 > 16 17 B 0.82981284211049 0.69471218511209 0.06468383758992 10.811 > 17 18 B 0.81082233258410 0.27670214925549 0.39602482878786 10.811 > 18 19 B 0.18917766741590 0.77670214925549 0.10397517121214 10.811 > 19 20 B 0.53465127829787 0.78323377084606 0.67235581862022 10.811 > 20 21 B 0.05856031291022 0.78491481142848 0.43789134034188 10.811 > 21 22 B 0.53465127829787 0.71676622915394 0.17235581862022 10.811 > 22 23 B 0.17018715788951 0.30528781488791 0.93531616241008 10.811 > 23 24 B 0.17018715788951 0.19471218511209 0.43531616241008 10.811 > 24 25 B 0.18917766741590 0.72329785074451 0.60397517121214 10.811 > 25 26 B 0.94143968708978 0.21508518857152 0.56210865965812 10.811 > 26 27 B 0.46534872170212 0.28323377084606 0.82764418137978 10.811 > 27 28 B 0.61923974309519 0.00501414878479 0.80648513452383 10.811 > 28 *29 O 0.55420398154704 0.59874423949301 0.69548696386674 15.999 > 29 *30 O 0.08835436680549 0.70426522994316 0.84573587157356 15.999 > 30 *31 O 0.01990681537688 0.23316969645743 0.36881362056076 15.999 > 31 *32 O 0.78406953872206 0.45176940267401 0.36282524351935 15.999 > 32 *33 O 0.87063433832022 0.67226089536440 0.97165334281678 15.999 > 33 34 O 0.87063433832022 0.82773910463560 0.47165334281678 15.999 > 34 35 O 0.78406953872206 0.04823059732599 0.86282524351935 15.999 > 35 *36 O 0.79405304356499 0.23369771659002 0.99670390631844 15.999 > 36 *37 O 0.36417070423890 0.17742193625110 0.41423877326568 15.999 > 37 38 O 0.08835436680549 0.79573477005684 0.34573587157356 15.999 > 38 *39 O 0.67338514212880 0.16663238709087 0.34109930594438 15.999 > 39 40 O 0.20594695643501 0.76630228340998 0.00329609368156 15.999 > 40 41 O 0.91164563319451 0.29573477005684 0.15426412842644 15.999 > 41 42 O 0.79405304356499 0.26630228340998 0.49670390631844 15.999 > 42 43 O 0.12936566167978 0.17226089536440 0.52834665718322 15.999 > 43 44 O 0.36417070423890 0.32257806374890 0.91423877326568 15.999 > 44 45 O 0.98009318462313 0.76683030354257 0.63118637943924 15.999 > 45 46 O 0.32661485787120 0.66663238709087 0.15890069405562 15.999 > 46 47 O 0.44579601845296 0.09874423949301 0.80451303613326 15.999 > 47 48 O 0.91164563319451 0.20426522994317 0.65426412842644 15.999 > 48 49 O 0.63582929576110 0.82257806374890 0.58576122673432 15.999 > 49 50 O 0.12936566167978 0.32773910463560 0.02834665718322 15.999 > 50 51 O 0.63582929576110 0.67742193625110 0.08576122673432 15.999 > 51 52 O 0.67338514212880 0.33336761290913 0.84109930594438 15.999 > 52 53 O 0.44579601845296 0.40125576050699 0.30451303613326 15.999 > 53 *54 O 0.35890426826022 0.13439554918257 0.24738675429522 15.999 > 54 55 O 0.21593046127794 0.95176940267401 0.13717475648065 15.999 > 55 56 O 0.55420398154704 0.90125576050699 0.19548696386674 15.999 > 56 57 O 0.64109573173977 0.86560445081743 0.75261324570479 15.999 > 57 58 O 0.35890426826022 0.36560445081743 0.74738675429521 15.999 > 58 59 O 0.64109573173977 0.63439554918257 0.25261324570478 15.999 > 59 60 O 0.01990681537688 0.26683030354257 0.86881362056076 15.999 > 60 61 O 0.20594695643501 0.73369771659002 0.50329609368156 15.999 > 61 62 O 0.32661485787120 0.83336761290913 0.65890069405562 15.999 > 62 63 O 0.98009318462313 0.73316969645743 0.13118637943924 15.999 > 63 64 O 0.21593046127794 0.54823059732599 0.63717475648065 15.999 > 64 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.403284020576924 0.000000000000000 0.000000000000000 b 0.000000000000000 7.958284000000000 0.000000000000000 c -0.809239776244711 0.000000000000000 14.248933582225206 Atomic positions (fractional): *1 K 0.25128657269342 0.34455293395082 0.10097072736964 39.098 > 1 2 K 0.75128657269342 0.34455293395082 0.10097072736964 39.098 > 1 3 K 0.24871342730658 0.84455293395082 0.39902927263036 39.098 > 2 4 K 0.74871342730658 0.84455293395082 0.39902927263036 39.098 > 2 5 K 0.25128657269342 0.15544706604918 0.60097072736964 39.098 > 3 6 K 0.75128657269342 0.15544706604918 0.60097072736964 39.098 > 3 7 K 0.24871342730658 0.65544706604918 0.89902927263036 39.098 > 4 8 K 0.74871342730658 0.65544706604918 0.89902927263036 39.098 > 4 *9 Sr 0.03989441020943 0.51399984220235 0.26035688769782 87.620 > 5 10 Sr 0.53989441020943 0.51399984220235 0.26035688769782 87.620 > 5 11 Sr 0.46010558979057 0.01399984220235 0.23964311230218 87.620 > 6 12 Sr 0.96010558979057 0.01399984220235 0.23964311230218 87.620 > 6 13 Sr 0.46010558979057 0.48600015779765 0.73964311230218 87.620 > 7 14 Sr 0.96010558979057 0.48600015779765 0.73964311230218 87.620 > 7 15 Sr 0.03989441020943 0.98600015779765 0.76035688769782 87.620 > 8 16 Sr 0.53989441020943 0.98600015779765 0.76035688769782 87.620 > 8 *17 B 0.47071984354489 0.28491481142848 0.06210865965812 10.811 > 9 18 B 0.97071984354489 0.28491481142848 0.06210865965812 10.811 > 9 *19 B 0.19038012845240 0.99498585121521 0.19351486547617 10.811 > 10 20 B 0.69038012845240 0.99498585121521 0.19351486547617 10.811 > 10 *21 B 0.23267436085106 0.21676622915394 0.32764418137978 10.811 > 11 22 B 0.73267436085106 0.21676622915394 0.32764418137978 10.811 > 11 23 B 0.02928015645511 0.71508518857152 0.93789134034188 10.811 > 12 24 B 0.52928015645511 0.71508518857152 0.93789134034188 10.811 > 12 *25 B 0.40541116629205 0.22329785074451 0.89602482878786 10.811 > 13 26 B 0.90541116629205 0.22329785074451 0.89602482878786 10.811 > 13 27 B 0.19038012845240 0.50501414878479 0.69351486547617 10.811 > 14 28 B 0.69038012845240 0.50501414878479 0.69351486547617 10.811 > 14 *29 B 0.41490642105525 0.80528781488791 0.56468383758992 10.811 > 15 30 B 0.91490642105525 0.80528781488791 0.56468383758992 10.811 > 15 31 B 0.30961987154760 0.49498585121521 0.30648513452383 10.811 > 16 32 B 0.80961987154760 0.49498585121521 0.30648513452383 10.811 > 16 33 B 0.41490642105525 0.69471218511209 0.06468383758992 10.811 > 17 34 B 0.91490642105525 0.69471218511209 0.06468383758992 10.811 > 17 35 B 0.40541116629205 0.27670214925549 0.39602482878786 10.811 > 18 36 B 0.90541116629205 0.27670214925549 0.39602482878786 10.811 > 18 37 B 0.09458883370795 0.77670214925549 0.10397517121214 10.811 > 19 38 B 0.59458883370795 0.77670214925549 0.10397517121214 10.811 > 19 39 B 0.26732563914894 0.78323377084606 0.67235581862022 10.811 > 20 40 B 0.76732563914894 0.78323377084606 0.67235581862022 10.811 > 20 41 B 0.02928015645511 0.78491481142848 0.43789134034188 10.811 > 21 42 B 0.52928015645511 0.78491481142848 0.43789134034188 10.811 > 21 43 B 0.26732563914894 0.71676622915394 0.17235581862022 10.811 > 22 44 B 0.76732563914894 0.71676622915394 0.17235581862022 10.811 > 22 45 B 0.08509357894475 0.30528781488791 0.93531616241008 10.811 > 23 46 B 0.58509357894475 0.30528781488791 0.93531616241008 10.811 > 23 47 B 0.08509357894475 0.19471218511209 0.43531616241008 10.811 > 24 48 B 0.58509357894475 0.19471218511209 0.43531616241008 10.811 > 24 49 B 0.09458883370795 0.72329785074451 0.60397517121214 10.811 > 25 50 B 0.59458883370795 0.72329785074451 0.60397517121214 10.811 > 25 51 B 0.47071984354489 0.21508518857152 0.56210865965812 10.811 > 26 52 B 0.97071984354489 0.21508518857152 0.56210865965812 10.811 > 26 53 B 0.23267436085106 0.28323377084606 0.82764418137978 10.811 > 27 54 B 0.73267436085106 0.28323377084606 0.82764418137978 10.811 > 27 55 B 0.30961987154760 0.00501414878479 0.80648513452383 10.811 > 28 56 B 0.80961987154760 0.00501414878479 0.80648513452383 10.811 > 28 *57 O 0.27710199077352 0.59874423949301 0.69548696386674 15.999 > 29 58 O 0.77710199077352 0.59874423949301 0.69548696386674 15.999 > 29 *59 O 0.04417718340274 0.70426522994316 0.84573587157356 15.999 > 30 60 O 0.54417718340274 0.70426522994316 0.84573587157356 15.999 > 30 *61 O 0.00995340768844 0.23316969645743 0.36881362056076 15.999 > 31 62 O 0.50995340768844 0.23316969645743 0.36881362056076 15.999 > 31 *63 O 0.39203476936103 0.45176940267401 0.36282524351935 15.999 > 32 64 O 0.89203476936103 0.45176940267401 0.36282524351935 15.999 > 32 *65 O 0.43531716916011 0.67226089536440 0.97165334281678 15.999 > 33 66 O 0.93531716916011 0.67226089536440 0.97165334281678 15.999 > 33 67 O 0.43531716916011 0.82773910463560 0.47165334281678 15.999 > 34 68 O 0.93531716916011 0.82773910463560 0.47165334281678 15.999 > 34 69 O 0.39203476936103 0.04823059732599 0.86282524351935 15.999 > 35 70 O 0.89203476936103 0.04823059732599 0.86282524351935 15.999 > 35 *71 O 0.39702652178250 0.23369771659002 0.99670390631844 15.999 > 36 72 O 0.89702652178250 0.23369771659002 0.99670390631844 15.999 > 36 *73 O 0.18208535211945 0.17742193625110 0.41423877326568 15.999 > 37 74 O 0.68208535211945 0.17742193625110 0.41423877326568 15.999 > 37 75 O 0.04417718340274 0.79573477005684 0.34573587157356 15.999 > 38 76 O 0.54417718340274 0.79573477005684 0.34573587157356 15.999 > 38 *77 O 0.33669257106440 0.16663238709087 0.34109930594438 15.999 > 39 78 O 0.83669257106440 0.16663238709087 0.34109930594438 15.999 > 39 79 O 0.10297347821750 0.76630228340998 0.00329609368156 15.999 > 40 80 O 0.60297347821750 0.76630228340998 0.00329609368156 15.999 > 40 81 O 0.45582281659726 0.29573477005684 0.15426412842644 15.999 > 41 82 O 0.95582281659726 0.29573477005684 0.15426412842644 15.999 > 41 83 O 0.39702652178250 0.26630228340998 0.49670390631844 15.999 > 42 84 O 0.89702652178250 0.26630228340998 0.49670390631844 15.999 > 42 85 O 0.06468283083989 0.17226089536440 0.52834665718322 15.999 > 43 86 O 0.56468283083989 0.17226089536440 0.52834665718322 15.999 > 43 87 O 0.18208535211945 0.32257806374890 0.91423877326568 15.999 > 44 88 O 0.68208535211945 0.32257806374890 0.91423877326568 15.999 > 44 89 O 0.49004659231156 0.76683030354257 0.63118637943924 15.999 > 45 90 O 0.99004659231156 0.76683030354257 0.63118637943924 15.999 > 45 91 O 0.16330742893560 0.66663238709087 0.15890069405562 15.999 > 46 92 O 0.66330742893560 0.66663238709087 0.15890069405562 15.999 > 46 93 O 0.22289800922648 0.09874423949301 0.80451303613326 15.999 > 47 94 O 0.72289800922648 0.09874423949301 0.80451303613326 15.999 > 47 95 O 0.45582281659726 0.20426522994317 0.65426412842644 15.999 > 48 96 O 0.95582281659726 0.20426522994317 0.65426412842644 15.999 > 48 97 O 0.31791464788055 0.82257806374890 0.58576122673432 15.999 > 49 98 O 0.81791464788055 0.82257806374890 0.58576122673432 15.999 > 49 99 O 0.06468283083989 0.32773910463560 0.02834665718322 15.999 > 50 100 O 0.56468283083989 0.32773910463560 0.02834665718322 15.999 > 50 101 O 0.31791464788055 0.67742193625110 0.08576122673432 15.999 > 51 102 O 0.81791464788055 0.67742193625110 0.08576122673432 15.999 > 51 103 O 0.33669257106440 0.33336761290913 0.84109930594438 15.999 > 52 104 O 0.83669257106440 0.33336761290913 0.84109930594438 15.999 > 52 105 O 0.22289800922648 0.40125576050699 0.30451303613326 15.999 > 53 106 O 0.72289800922648 0.40125576050699 0.30451303613326 15.999 > 53 *107 O 0.17945213413011 0.13439554918257 0.24738675429522 15.999 > 54 108 O 0.67945213413011 0.13439554918257 0.24738675429522 15.999 > 54 109 O 0.10796523063897 0.95176940267401 0.13717475648065 15.999 > 55 110 O 0.60796523063897 0.95176940267401 0.13717475648065 15.999 > 55 111 O 0.27710199077352 0.90125576050699 0.19548696386674 15.999 > 56 112 O 0.77710199077352 0.90125576050699 0.19548696386674 15.999 > 56 113 O 0.32054786586989 0.86560445081743 0.75261324570479 15.999 > 57 114 O 0.82054786586989 0.86560445081743 0.75261324570479 15.999 > 57 115 O 0.17945213413011 0.36560445081743 0.74738675429521 15.999 > 58 116 O 0.67945213413011 0.36560445081743 0.74738675429521 15.999 > 58 117 O 0.32054786586989 0.63439554918257 0.25261324570478 15.999 > 59 118 O 0.82054786586989 0.63439554918257 0.25261324570478 15.999 > 59 119 O 0.00995340768844 0.26683030354257 0.86881362056076 15.999 > 60 120 O 0.50995340768844 0.26683030354257 0.86881362056076 15.999 > 60 121 O 0.10297347821750 0.73369771659002 0.50329609368156 15.999 > 61 122 O 0.60297347821750 0.73369771659002 0.50329609368156 15.999 > 61 123 O 0.16330742893560 0.83336761290913 0.65890069405562 15.999 > 62 124 O 0.66330742893560 0.83336761290913 0.65890069405562 15.999 > 62 125 O 0.49004659231156 0.73316969645743 0.13118637943924 15.999 > 63 126 O 0.99004659231156 0.73316969645743 0.13118637943924 15.999 > 63 127 O 0.10796523063897 0.54823059732599 0.63717475648065 15.999 > 64 128 O 0.60796523063897 0.54823059732599 0.63717475648065 15.999 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6862521 0.0000000 0.0064674 0.0000000 2.4846461 0.0000000 0.0064675 0.0000000 2.6616259 -------------------------- Born effective charges -------------------------- 1 K 1.2897553 0.0037114 0.0182417 0.0007907 1.1012247 -0.0284795 0.0132651 0.0149805 1.2252927 2 K 1.2897553 -0.0037114 0.0182417 -0.0007907 1.1012247 0.0284795 0.0132651 -0.0149805 1.2252927 3 K 1.2897553 -0.0037114 0.0182417 -0.0007907 1.1012247 0.0284795 0.0132651 -0.0149805 1.2252927 4 K 1.2897553 0.0037114 0.0182417 0.0007907 1.1012247 -0.0284795 0.0132651 0.0149805 1.2252927 5 Sr 2.4803705 0.0624419 -0.1577266 0.1719282 2.6260667 -0.0593234 -0.0481814 0.1092895 2.3473246 6 Sr 2.4803705 -0.0624419 -0.1577266 -0.1719282 2.6260667 0.0593234 -0.0481814 -0.1092895 2.3473246 7 Sr 2.4803705 0.0624419 -0.1577266 0.1719282 2.6260667 -0.0593234 -0.0481814 0.1092895 2.3473246 8 Sr 2.4803705 -0.0624419 -0.1577266 -0.1719282 2.6260667 0.0593234 -0.0481814 -0.1092895 2.3473246 9 B 2.1400275 0.4406270 -0.1265965 0.3935175 0.7252905 0.1129425 -0.3097079 0.2206952 3.1426842 10 B 2.3099266 -0.3385300 0.6308328 -0.4544151 2.2498320 0.9778238 0.4739963 0.8980383 1.5111245 11 B 2.7040353 0.3089192 -0.3623367 0.3118420 2.4439963 0.1808956 0.0812590 -0.1090363 2.3442251 12 B 2.1400275 0.4406270 -0.1265965 0.3935175 0.7252905 0.1129425 -0.3097079 0.2206952 3.1426842 13 B 2.3445876 0.1184234 0.5015811 0.0747415 2.1215319 0.2183654 0.2762887 0.3532225 2.6655206 14 B 2.3099266 0.3385300 0.6308328 0.4544151 2.2498320 -0.9778238 0.4739963 -0.8980383 1.5111245 15 B 2.8553662 -0.2854146 -0.2003617 -0.3001748 0.7668329 -0.1828929 -0.2791640 -0.2836130 2.5483975 16 B 2.3099266 0.3385300 0.6308328 0.4544151 2.2498320 -0.9778238 0.4739963 -0.8980383 1.5111245 17 B 2.8553662 0.2854146 -0.2003617 0.3001748 0.7668329 0.1828929 -0.2791640 0.2836130 2.5483975 18 B 2.3445876 -0.1184234 0.5015811 -0.0747415 2.1215319 -0.2183654 0.2762887 -0.3532225 2.6655206 19 B 2.3445876 0.1184234 0.5015811 0.0747415 2.1215319 0.2183654 0.2762887 0.3532225 2.6655206 20 B 2.7040353 0.3089192 -0.3623367 0.3118420 2.4439963 0.1808956 0.0812590 -0.1090363 2.3442251 21 B 2.1400275 -0.4406270 -0.1265965 -0.3935175 0.7252905 -0.1129425 -0.3097079 -0.2206952 3.1426842 22 B 2.7040353 -0.3089192 -0.3623367 -0.3118420 2.4439963 -0.1808956 0.0812590 0.1090363 2.3442251 23 B 2.8553662 0.2854146 -0.2003617 0.3001748 0.7668329 0.1828929 -0.2791640 0.2836130 2.5483975 24 B 2.8553662 -0.2854146 -0.2003617 -0.3001748 0.7668329 -0.1828929 -0.2791640 -0.2836130 2.5483975 25 B 2.3445876 -0.1184234 0.5015811 -0.0747415 2.1215319 -0.2183654 0.2762887 -0.3532225 2.6655206 26 B 2.1400275 -0.4406270 -0.1265965 -0.3935175 0.7252905 -0.1129425 -0.3097079 -0.2206952 3.1426842 27 B 2.7040353 -0.3089192 -0.3623367 -0.3118420 2.4439963 -0.1808956 0.0812590 0.1090363 2.3442251 28 B 2.3099266 -0.3385300 0.6308328 -0.4544151 2.2498320 0.9778238 0.4739963 0.8980383 1.5111245 29 O -1.8480639 -0.4454302 -0.0241494 -0.3959001 -2.0578533 0.3093850 -0.0735461 0.3512271 -0.9182600 30 O -1.2093329 -0.0653645 0.1139880 -0.0908112 -1.4533781 -0.0141907 0.1433795 -0.0187505 -2.5582087 31 O -2.1644961 0.2952371 -0.3199501 0.3040673 -1.0599412 0.0926547 -0.2896333 0.1776913 -1.6154942 32 O -1.7019294 0.2811665 -0.4945070 0.1909126 -1.6952368 0.5955654 -0.4646012 0.6081107 -1.3992775 33 O -1.8283051 -0.2030210 0.6334373 -0.2375636 -0.6203959 -0.0018812 0.6840864 -0.0718872 -2.0781878 34 O -1.8283051 0.2030210 0.6334373 0.2375636 -0.6203959 0.0018812 0.6840864 0.0718872 -2.0781878 35 O -1.7019294 -0.2811665 -0.4945070 -0.1909126 -1.6952368 -0.5955654 -0.4646012 -0.6081107 -1.3992775 36 O -1.3907351 -0.1982215 -0.4114355 -0.1626016 -0.7998782 -0.2835142 -0.3080623 -0.3346110 -2.5105542 37 O -2.4032251 0.0436647 0.7587230 0.0425872 -0.8968025 0.0403495 0.7002732 0.1226698 -1.6568808 38 O -1.2093329 0.0653645 0.1139880 0.0908112 -1.4533781 0.0141907 0.1433795 0.0187505 -2.5582087 39 O -2.3265671 -0.0446921 -0.3523495 -0.0625064 -1.4386510 -0.2502679 -0.3663422 -0.1545611 -1.3473929 40 O -1.3907351 -0.1982215 -0.4114355 -0.1626016 -0.7998782 -0.2835142 -0.3080623 -0.3346110 -2.5105542 41 O -1.2093329 -0.0653645 0.1139880 -0.0908112 -1.4533781 -0.0141907 0.1433795 -0.0187505 -2.5582087 42 O -1.3907351 0.1982215 -0.4114355 0.1626016 -0.7998782 0.2835142 -0.3080623 0.3346110 -2.5105542 43 O -1.8283051 0.2030210 0.6334373 0.2375636 -0.6203959 0.0018812 0.6840864 0.0718872 -2.0781878 44 O -2.4032251 -0.0436647 0.7587230 -0.0425872 -0.8968025 -0.0403495 0.7002732 -0.1226698 -1.6568808 45 O -2.1644961 0.2952371 -0.3199501 0.3040673 -1.0599412 0.0926547 -0.2896333 0.1776913 -1.6154942 46 O -2.3265671 0.0446921 -0.3523495 0.0625064 -1.4386510 0.2502679 -0.3663422 0.1545611 -1.3473929 47 O -1.8480639 0.4454302 -0.0241494 0.3959001 -2.0578533 -0.3093850 -0.0735461 -0.3512271 -0.9182600 48 O -1.2093329 0.0653645 0.1139880 0.0908112 -1.4533781 0.0141907 0.1433795 0.0187505 -2.5582087 49 O -2.4032251 0.0436647 0.7587230 0.0425872 -0.8968025 0.0403495 0.7002732 0.1226698 -1.6568808 50 O -1.8283051 -0.2030210 0.6334373 -0.2375636 -0.6203959 -0.0018812 0.6840864 -0.0718872 -2.0781878 51 O -2.4032251 -0.0436647 0.7587230 -0.0425872 -0.8968025 -0.0403495 0.7002732 -0.1226698 -1.6568808 52 O -2.3265671 0.0446921 -0.3523495 0.0625064 -1.4386510 0.2502679 -0.3663422 0.1545611 -1.3473929 53 O -1.8480639 -0.4454302 -0.0241494 -0.3959001 -2.0578533 0.3093850 -0.0735461 0.3512271 -0.9182600 54 O -1.2514145 -0.2066717 -0.2073909 -0.1467217 -2.0126379 -0.9196924 -0.2333098 -0.7888345 -1.7003132 55 O -1.7019294 -0.2811665 -0.4945070 -0.1909126 -1.6952368 -0.5955654 -0.4646012 -0.6081107 -1.3992775 56 O -1.8480639 0.4454302 -0.0241494 0.3959001 -2.0578533 -0.3093850 -0.0735461 -0.3512271 -0.9182600 57 O -1.2514145 -0.2066717 -0.2073909 -0.1467217 -2.0126379 -0.9196924 -0.2333098 -0.7888345 -1.7003132 58 O -1.2514145 0.2066717 -0.2073909 0.1467217 -2.0126379 0.9196924 -0.2333098 0.7888345 -1.7003132 59 O -1.2514145 0.2066717 -0.2073909 0.1467217 -2.0126379 0.9196924 -0.2333098 0.7888345 -1.7003132 60 O -2.1644961 -0.2952371 -0.3199501 -0.3040673 -1.0599412 -0.0926547 -0.2896333 -0.1776913 -1.6154942 61 O -1.3907351 0.1982215 -0.4114355 0.1626016 -0.7998782 0.2835142 -0.3080623 0.3346110 -2.5105542 62 O -2.3265671 -0.0446921 -0.3523495 -0.0625064 -1.4386510 -0.2502679 -0.3663422 -0.1545611 -1.3473929 63 O -2.1644961 -0.2952371 -0.3199501 -0.3040673 -1.0599412 -0.0926547 -0.2896333 -0.1776913 -1.6154942 64 O -1.7019294 0.2811665 -0.4945070 0.1909126 -1.6952368 0.5955654 -0.4646012 0.6081107 -1.3992775 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 37056/37056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 9408 Number of blocks in projector: 9408 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 220 eigenvectors found. (2) Block: 548 / 548 (2) 278 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 518 eigenvectors found. (1) Complementary block size: 122 (1) Compute compressed projector. (1) Use standard solver. (1) 90 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 233 eigenvectors found. (2) Block: 548 / 548 (2) 285 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 531 eigenvectors found. (1) Complementary block size: 98 (1) Compute compressed projector. (1) Use standard solver. (1) 67 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 220 eigenvectors found. (2) Block: 548 / 548 (2) 278 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 518 eigenvectors found. (1) Complementary block size: 122 (1) Compute compressed projector. (1) Use standard solver. (1) 90 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1088 Use submatrix version of eigh solver. (1) Block: 500 / 1088 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1088 / 1088 (2) Block: 250 / 588 (2) 238 eigenvectors found. (2) Block: 500 / 588 (2) 239 eigenvectors found. (2) Block: 588 / 588 (2) 73 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 572 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1088 Use submatrix version of eigh solver. (1) Block: 500 / 1088 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1088 / 1088 (2) Block: 250 / 588 (2) 238 eigenvectors found. (2) Block: 500 / 588 (2) 234 eigenvectors found. (2) Block: 588 / 588 (2) 73 eigenvectors found. (2) Complementary block size: 43 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 572 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1088 Use submatrix version of eigh solver. (1) Block: 500 / 1088 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1088 / 1088 (2) Block: 250 / 588 (2) 238 eigenvectors found. (2) Block: 500 / 588 (2) 234 eigenvectors found. (2) Block: 588 / 588 (2) 73 eigenvectors found. (2) Complementary block size: 43 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 572 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. Tree of FC basis block matrices: - (9408, 9265), data: False |-- (1088, 1072), data: False |-- (1088, 16), data: (1088, 32) @ (32, 16) |-- (588, 572), data: False |-- (588, 27), data: (588, 43) @ (43, 27) |-- (88, 73), data: True |-- (250, 234), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1088, 1072), data: False |-- (1088, 16), data: (1088, 32) @ (32, 16) |-- (588, 572), data: False |-- (588, 27), data: (588, 43) @ (43, 27) |-- (88, 73), data: True |-- (250, 234), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1088, 1072), data: False |-- (1088, 16), data: (1088, 32) @ (32, 16) |-- (588, 572), data: False |-- (588, 22), data: (588, 38) @ (38, 22) |-- (88, 73), data: True |-- (250, 239), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (2048, 2016), data: False |-- (2048, 90), data: (2048, 122) @ (122, 90) |-- (548, 518), data: False |-- (548, 20), data: (548, 50) @ (50, 20) |-- (298, 278), data: True |-- (250, 220), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 220), data: True |-- (250, 222), data: True |-- (500, 470), data: False |-- (500, 20), data: (500, 50) @ (50, 20) |-- (250, 220), data: True |-- (250, 230), data: True |-- (500, 468), data: False |-- (500, 26), data: (500, 58) @ (58, 26) |-- (250, 224), data: True |-- (250, 218), data: True |-- (2048, 2017), data: False |-- (2048, 67), data: (2048, 98) @ (98, 67) |-- (548, 531), data: False |-- (548, 13), data: (548, 30) @ (30, 13) |-- (298, 285), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 19), data: (500, 42) @ (42, 19) |-- (250, 231), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (500, 469), data: False |-- (500, 29), data: (500, 60) @ (60, 29) |-- (250, 221), data: True |-- (250, 219), data: True |-- (2048, 2016), data: False |-- (2048, 90), data: (2048, 122) @ (122, 90) |-- (548, 518), data: False |-- (548, 20), data: (548, 50) @ (50, 20) |-- (298, 278), data: True |-- (250, 220), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 220), data: True |-- (250, 222), data: True |-- (500, 470), data: False |-- (500, 20), data: (500, 50) @ (50, 20) |-- (250, 220), data: True |-- (250, 230), data: True |-- (500, 468), data: False |-- (500, 26), data: (500, 58) @ (58, 26) |-- (250, 224), data: True |-- (250, 218), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.009 Solver_block: 100 / 1920 - Time: 4.853 Solver_block: 200 / 1920 - Time: 4.524 Solver_block: 300 / 1920 - Time: 4.623 Solver_block: 400 / 1920 - Time: 4.503 Solver_block: 500 / 1920 - Time: 4.568 Solver_block: 600 / 1920 - Time: 4.635 Solver_block: 700 / 1920 - Time: 4.502 Solver_block: 800 / 1920 - Time: 4.524 Solver_block: 900 / 1920 - Time: 4.597 Solver_block: 1000 / 1920 - Time: 4.511 Solver_block: 1100 / 1920 - Time: 4.518 Solver_block: 1200 / 1920 - Time: 4.547 Solver_block: 1300 / 1920 - Time: 4.617 Solver_block: 1400 / 1920 - Time: 4.600 Solver_block: 1500 / 1920 - Time: 4.575 Solver_block: 1600 / 1920 - Time: 4.520 Solver_block: 1700 / 1920 - Time: 4.587 Solver_block: 1800 / 1920 - Time: 4.575 Solver_block: 1900 / 1920 - Time: 4.599 Solver_block: 1920 / 1920 - Time: 1.520 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 90.728 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 384/384 Permutation basis: 37056/37056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 9408 Number of blocks in projector: 9408 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 220 eigenvectors found. (2) Block: 548 / 548 (2) 278 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 518 eigenvectors found. (1) Complementary block size: 122 (1) Compute compressed projector. (1) Use standard solver. (1) 90 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 233 eigenvectors found. (2) Block: 548 / 548 (2) 285 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 531 eigenvectors found. (1) Complementary block size: 98 (1) Compute compressed projector. (1) Use standard solver. (1) 67 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 220 eigenvectors found. (2) Block: 548 / 548 (2) 278 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 518 eigenvectors found. (1) Complementary block size: 122 (1) Compute compressed projector. (1) Use standard solver. (1) 90 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1088 Use submatrix version of eigh solver. (1) Block: 500 / 1088 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1088 / 1088 (2) Block: 250 / 588 (2) 238 eigenvectors found. (2) Block: 500 / 588 (2) 239 eigenvectors found. (2) Block: 588 / 588 (2) 73 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 572 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1088 Use submatrix version of eigh solver. (1) Block: 500 / 1088 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1088 / 1088 (2) Block: 250 / 588 (2) 238 eigenvectors found. (2) Block: 500 / 588 (2) 234 eigenvectors found. (2) Block: 588 / 588 (2) 73 eigenvectors found. (2) Complementary block size: 43 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 572 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1088 Use submatrix version of eigh solver. (1) Block: 500 / 1088 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1088 / 1088 (2) Block: 250 / 588 (2) 238 eigenvectors found. (2) Block: 500 / 588 (2) 234 eigenvectors found. (2) Block: 588 / 588 (2) 73 eigenvectors found. (2) Complementary block size: 43 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 572 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. Tree of FC basis block matrices: - (9408, 9265), data: False |-- (1088, 1072), data: False |-- (1088, 16), data: (1088, 32) @ (32, 16) |-- (588, 572), data: False |-- (588, 27), data: (588, 43) @ (43, 27) |-- (88, 73), data: True |-- (250, 234), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1088, 1072), data: False |-- (1088, 16), data: (1088, 32) @ (32, 16) |-- (588, 572), data: False |-- (588, 27), data: (588, 43) @ (43, 27) |-- (88, 73), data: True |-- (250, 234), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1088, 1072), data: False |-- (1088, 16), data: (1088, 32) @ (32, 16) |-- (588, 572), data: False |-- (588, 22), data: (588, 38) @ (38, 22) |-- (88, 73), data: True |-- (250, 239), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (2048, 2016), data: False |-- (2048, 90), data: (2048, 122) @ (122, 90) |-- (548, 518), data: False |-- (548, 20), data: (548, 50) @ (50, 20) |-- (298, 278), data: True |-- (250, 220), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 220), data: True |-- (250, 222), data: True |-- (500, 470), data: False |-- (500, 20), data: (500, 50) @ (50, 20) |-- (250, 220), data: True |-- (250, 230), data: True |-- (500, 468), data: False |-- (500, 26), data: (500, 58) @ (58, 26) |-- (250, 224), data: True |-- (250, 218), data: True |-- (2048, 2017), data: False |-- (2048, 67), data: (2048, 98) @ (98, 67) |-- (548, 531), data: False |-- (548, 13), data: (548, 30) @ (30, 13) |-- (298, 285), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 19), data: (500, 42) @ (42, 19) |-- (250, 231), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (500, 469), data: False |-- (500, 29), data: (500, 60) @ (60, 29) |-- (250, 221), data: True |-- (250, 219), data: True |-- (2048, 2016), data: False |-- (2048, 90), data: (2048, 122) @ (122, 90) |-- (548, 518), data: False |-- (548, 20), data: (548, 50) @ (50, 20) |-- (298, 278), data: True |-- (250, 220), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 220), data: True |-- (250, 222), data: True |-- (500, 470), data: False |-- (500, 20), data: (500, 50) @ (50, 20) |-- (250, 220), data: True |-- (250, 230), data: True |-- (500, 468), data: False |-- (500, 26), data: (500, 58) @ (58, 26) |-- (250, 224), data: True |-- (250, 218), 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 12:32:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:32:37]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.701642010288462 0.000000000000000 0.000000000000000 b 0.000000000000000 7.958284000000000 0.000000000000000 c -0.809239776244711 0.000000000000000 14.248933582225206 Atomic positions (fractional): 1 K 0.50257314538684 0.34455293395082 0.10097072736964 39.098 2 K 0.49742685461316 0.84455293395082 0.39902927263036 39.098 3 K 0.50257314538684 0.15544706604918 0.60097072736964 39.098 4 K 0.49742685461316 0.65544706604918 0.89902927263036 39.098 5 Sr 0.07978882041886 0.51399984220235 0.26035688769782 87.620 6 Sr 0.92021117958114 0.01399984220235 0.23964311230218 87.620 7 Sr 0.92021117958114 0.48600015779765 0.73964311230218 87.620 8 Sr 0.07978882041886 0.98600015779765 0.76035688769782 87.620 9 B 0.94143968708978 0.28491481142848 0.06210865965812 10.811 10 B 0.38076025690481 0.99498585121521 0.19351486547617 10.811 11 B 0.46534872170212 0.21676622915394 0.32764418137978 10.811 12 B 0.05856031291022 0.71508518857152 0.93789134034188 10.811 13 B 0.81082233258410 0.22329785074451 0.89602482878786 10.811 14 B 0.38076025690481 0.50501414878479 0.69351486547617 10.811 15 B 0.82981284211049 0.80528781488791 0.56468383758992 10.811 16 B 0.61923974309519 0.49498585121521 0.30648513452383 10.811 17 B 0.82981284211049 0.69471218511209 0.06468383758992 10.811 18 B 0.81082233258410 0.27670214925549 0.39602482878786 10.811 19 B 0.18917766741590 0.77670214925549 0.10397517121214 10.811 20 B 0.53465127829787 0.78323377084606 0.67235581862022 10.811 21 B 0.05856031291022 0.78491481142848 0.43789134034188 10.811 22 B 0.53465127829787 0.71676622915394 0.17235581862022 10.811 23 B 0.17018715788951 0.30528781488791 0.93531616241008 10.811 24 B 0.17018715788951 0.19471218511209 0.43531616241008 10.811 25 B 0.18917766741590 0.72329785074451 0.60397517121214 10.811 26 B 0.94143968708978 0.21508518857152 0.56210865965812 10.811 27 B 0.46534872170212 0.28323377084606 0.82764418137978 10.811 28 B 0.61923974309519 0.00501414878479 0.80648513452383 10.811 29 O 0.55420398154704 0.59874423949301 0.69548696386674 15.999 30 O 0.08835436680549 0.70426522994316 0.84573587157356 15.999 31 O 0.01990681537688 0.23316969645743 0.36881362056076 15.999 32 O 0.78406953872206 0.45176940267401 0.36282524351935 15.999 33 O 0.87063433832022 0.67226089536440 0.97165334281678 15.999 34 O 0.87063433832022 0.82773910463560 0.47165334281678 15.999 35 O 0.78406953872206 0.04823059732599 0.86282524351935 15.999 36 O 0.79405304356499 0.23369771659002 0.99670390631844 15.999 37 O 0.36417070423890 0.17742193625110 0.41423877326568 15.999 38 O 0.08835436680549 0.79573477005684 0.34573587157356 15.999 39 O 0.67338514212880 0.16663238709087 0.34109930594438 15.999 40 O 0.20594695643501 0.76630228340998 0.00329609368156 15.999 41 O 0.91164563319451 0.29573477005684 0.15426412842644 15.999 42 O 0.79405304356499 0.26630228340998 0.49670390631844 15.999 43 O 0.12936566167978 0.17226089536440 0.52834665718322 15.999 44 O 0.36417070423890 0.32257806374890 0.91423877326568 15.999 45 O 0.98009318462313 0.76683030354257 0.63118637943924 15.999 46 O 0.32661485787120 0.66663238709087 0.15890069405562 15.999 47 O 0.44579601845296 0.09874423949301 0.80451303613326 15.999 48 O 0.91164563319451 0.20426522994317 0.65426412842644 15.999 49 O 0.63582929576110 0.82257806374890 0.58576122673432 15.999 50 O 0.12936566167978 0.32773910463560 0.02834665718322 15.999 51 O 0.63582929576110 0.67742193625110 0.08576122673432 15.999 52 O 0.67338514212880 0.33336761290913 0.84109930594438 15.999 53 O 0.44579601845296 0.40125576050699 0.30451303613326 15.999 54 O 0.35890426826022 0.13439554918257 0.24738675429522 15.999 55 O 0.21593046127794 0.95176940267401 0.13717475648065 15.999 56 O 0.55420398154704 0.90125576050699 0.19548696386674 15.999 57 O 0.64109573173977 0.86560445081743 0.75261324570479 15.999 58 O 0.35890426826022 0.36560445081743 0.74738675429521 15.999 59 O 0.64109573173977 0.63439554918257 0.25261324570478 15.999 60 O 0.01990681537688 0.26683030354257 0.86881362056076 15.999 61 O 0.20594695643501 0.73369771659002 0.50329609368156 15.999 62 O 0.32661485787120 0.83336761290913 0.65890069405562 15.999 63 O 0.98009318462313 0.73316969645743 0.13118637943924 15.999 64 O 0.21593046127794 0.54823059732599 0.63717475648065 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.403284020576924 0.000000000000000 0.000000000000000 b 0.000000000000000 7.958284000000000 0.000000000000000 c -0.809239776244711 0.000000000000000 14.248933582225206 Atomic positions (fractional): 1 K 0.25128657269342 0.34455293395082 0.10097072736964 39.098 > 1 2 K 0.75128657269342 0.34455293395082 0.10097072736964 39.098 > 1 3 K 0.24871342730658 0.84455293395082 0.39902927263036 39.098 > 3 4 K 0.74871342730658 0.84455293395082 0.39902927263036 39.098 > 3 5 K 0.25128657269342 0.15544706604918 0.60097072736964 39.098 > 5 6 K 0.75128657269342 0.15544706604918 0.60097072736964 39.098 > 5 7 K 0.24871342730658 0.65544706604918 0.89902927263036 39.098 > 7 8 K 0.74871342730658 0.65544706604918 0.89902927263036 39.098 > 7 9 Sr 0.03989441020943 0.51399984220235 0.26035688769782 87.620 > 9 10 Sr 0.53989441020943 0.51399984220235 0.26035688769782 87.620 > 9 11 Sr 0.46010558979057 0.01399984220235 0.23964311230218 87.620 > 11 12 Sr 0.96010558979057 0.01399984220235 0.23964311230218 87.620 > 11 13 Sr 0.46010558979057 0.48600015779765 0.73964311230218 87.620 > 13 14 Sr 0.96010558979057 0.48600015779765 0.73964311230218 87.620 > 13 15 Sr 0.03989441020943 0.98600015779765 0.76035688769782 87.620 > 15 16 Sr 0.53989441020943 0.98600015779765 0.76035688769782 87.620 > 15 17 B 0.47071984354489 0.28491481142848 0.06210865965812 10.811 > 17 18 B 0.97071984354489 0.28491481142848 0.06210865965812 10.811 > 17 19 B 0.19038012845240 0.99498585121521 0.19351486547617 10.811 > 19 20 B 0.69038012845240 0.99498585121521 0.19351486547617 10.811 > 19 21 B 0.23267436085106 0.21676622915394 0.32764418137978 10.811 > 21 22 B 0.73267436085106 0.21676622915394 0.32764418137978 10.811 > 21 23 B 0.02928015645511 0.71508518857152 0.93789134034188 10.811 > 23 24 B 0.52928015645511 0.71508518857152 0.93789134034188 10.811 > 23 25 B 0.40541116629205 0.22329785074451 0.89602482878786 10.811 > 25 26 B 0.90541116629205 0.22329785074451 0.89602482878786 10.811 > 25 27 B 0.19038012845240 0.50501414878479 0.69351486547617 10.811 > 27 28 B 0.69038012845240 0.50501414878479 0.69351486547617 10.811 > 27 29 B 0.41490642105525 0.80528781488791 0.56468383758992 10.811 > 29 30 B 0.91490642105525 0.80528781488791 0.56468383758992 10.811 > 29 31 B 0.30961987154760 0.49498585121521 0.30648513452383 10.811 > 31 32 B 0.80961987154760 0.49498585121521 0.30648513452383 10.811 > 31 33 B 0.41490642105525 0.69471218511209 0.06468383758992 10.811 > 33 34 B 0.91490642105525 0.69471218511209 0.06468383758992 10.811 > 33 35 B 0.40541116629205 0.27670214925549 0.39602482878786 10.811 > 35 36 B 0.90541116629205 0.27670214925549 0.39602482878786 10.811 > 35 37 B 0.09458883370795 0.77670214925549 0.10397517121214 10.811 > 37 38 B 0.59458883370795 0.77670214925549 0.10397517121214 10.811 > 37 39 B 0.26732563914894 0.78323377084606 0.67235581862022 10.811 > 39 40 B 0.76732563914894 0.78323377084606 0.67235581862022 10.811 > 39 41 B 0.02928015645511 0.78491481142848 0.43789134034188 10.811 > 41 42 B 0.52928015645511 0.78491481142848 0.43789134034188 10.811 > 41 43 B 0.26732563914894 0.71676622915394 0.17235581862022 10.811 > 43 44 B 0.76732563914894 0.71676622915394 0.17235581862022 10.811 > 43 45 B 0.08509357894475 0.30528781488791 0.93531616241008 10.811 > 45 46 B 0.58509357894475 0.30528781488791 0.93531616241008 10.811 > 45 47 B 0.08509357894475 0.19471218511209 0.43531616241008 10.811 > 47 48 B 0.58509357894475 0.19471218511209 0.43531616241008 10.811 > 47 49 B 0.09458883370795 0.72329785074451 0.60397517121214 10.811 > 49 50 B 0.59458883370795 0.72329785074451 0.60397517121214 10.811 > 49 51 B 0.47071984354489 0.21508518857152 0.56210865965812 10.811 > 51 52 B 0.97071984354489 0.21508518857152 0.56210865965812 10.811 > 51 53 B 0.23267436085106 0.28323377084606 0.82764418137978 10.811 > 53 54 B 0.73267436085106 0.28323377084606 0.82764418137978 10.811 > 53 55 B 0.30961987154760 0.00501414878479 0.80648513452383 10.811 > 55 56 B 0.80961987154760 0.00501414878479 0.80648513452383 10.811 > 55 57 O 0.27710199077352 0.59874423949301 0.69548696386674 15.999 > 57 58 O 0.77710199077352 0.59874423949301 0.69548696386674 15.999 > 57 59 O 0.04417718340274 0.70426522994316 0.84573587157356 15.999 > 59 60 O 0.54417718340274 0.70426522994316 0.84573587157356 15.999 > 59 61 O 0.00995340768844 0.23316969645743 0.36881362056076 15.999 > 61 62 O 0.50995340768844 0.23316969645743 0.36881362056076 15.999 > 61 63 O 0.39203476936103 0.45176940267401 0.36282524351935 15.999 > 63 64 O 0.89203476936103 0.45176940267401 0.36282524351935 15.999 > 63 65 O 0.43531716916011 0.67226089536440 0.97165334281678 15.999 > 65 66 O 0.93531716916011 0.67226089536440 0.97165334281678 15.999 > 65 67 O 0.43531716916011 0.82773910463560 0.47165334281678 15.999 > 67 68 O 0.93531716916011 0.82773910463560 0.47165334281678 15.999 > 67 69 O 0.39203476936103 0.04823059732599 0.86282524351935 15.999 > 69 70 O 0.89203476936103 0.04823059732599 0.86282524351935 15.999 > 69 71 O 0.39702652178250 0.23369771659002 0.99670390631844 15.999 > 71 72 O 0.89702652178250 0.23369771659002 0.99670390631844 15.999 > 71 73 O 0.18208535211945 0.17742193625110 0.41423877326568 15.999 > 73 74 O 0.68208535211945 0.17742193625110 0.41423877326568 15.999 > 73 75 O 0.04417718340274 0.79573477005684 0.34573587157356 15.999 > 75 76 O 0.54417718340274 0.79573477005684 0.34573587157356 15.999 > 75 77 O 0.33669257106440 0.16663238709087 0.34109930594438 15.999 > 77 78 O 0.83669257106440 0.16663238709087 0.34109930594438 15.999 > 77 79 O 0.10297347821750 0.76630228340998 0.00329609368156 15.999 > 79 80 O 0.60297347821750 0.76630228340998 0.00329609368156 15.999 > 79 81 O 0.45582281659726 0.29573477005684 0.15426412842644 15.999 > 81 82 O 0.95582281659726 0.29573477005684 0.15426412842644 15.999 > 81 83 O 0.39702652178250 0.26630228340998 0.49670390631844 15.999 > 83 84 O 0.89702652178250 0.26630228340998 0.49670390631844 15.999 > 83 85 O 0.06468283083989 0.17226089536440 0.52834665718322 15.999 > 85 86 O 0.56468283083989 0.17226089536440 0.52834665718322 15.999 > 85 87 O 0.18208535211945 0.32257806374890 0.91423877326568 15.999 > 87 88 O 0.68208535211945 0.32257806374890 0.91423877326568 15.999 > 87 89 O 0.49004659231156 0.76683030354257 0.63118637943924 15.999 > 89 90 O 0.99004659231156 0.76683030354257 0.63118637943924 15.999 > 89 91 O 0.16330742893560 0.66663238709087 0.15890069405562 15.999 > 91 92 O 0.66330742893560 0.66663238709087 0.15890069405562 15.999 > 91 93 O 0.22289800922648 0.09874423949301 0.80451303613326 15.999 > 93 94 O 0.72289800922648 0.09874423949301 0.80451303613326 15.999 > 93 95 O 0.45582281659726 0.20426522994317 0.65426412842644 15.999 > 95 96 O 0.95582281659726 0.20426522994317 0.65426412842644 15.999 > 95 97 O 0.31791464788055 0.82257806374890 0.58576122673432 15.999 > 97 98 O 0.81791464788055 0.82257806374890 0.58576122673432 15.999 > 97 99 O 0.06468283083989 0.32773910463560 0.02834665718322 15.999 > 99 100 O 0.56468283083989 0.32773910463560 0.02834665718322 15.999 > 99 101 O 0.31791464788055 0.67742193625110 0.08576122673432 15.999 > 101 102 O 0.81791464788055 0.67742193625110 0.08576122673432 15.999 > 101 103 O 0.33669257106440 0.33336761290913 0.84109930594438 15.999 > 103 104 O 0.83669257106440 0.33336761290913 0.84109930594438 15.999 > 103 105 O 0.22289800922648 0.40125576050699 0.30451303613326 15.999 > 105 106 O 0.72289800922648 0.40125576050699 0.30451303613326 15.999 > 105 107 O 0.17945213413011 0.13439554918257 0.24738675429522 15.999 > 107 108 O 0.67945213413011 0.13439554918257 0.24738675429522 15.999 > 107 109 O 0.10796523063897 0.95176940267401 0.13717475648065 15.999 > 109 110 O 0.60796523063897 0.95176940267401 0.13717475648065 15.999 > 109 111 O 0.27710199077352 0.90125576050699 0.19548696386674 15.999 > 111 112 O 0.77710199077352 0.90125576050699 0.19548696386674 15.999 > 111 113 O 0.32054786586989 0.86560445081743 0.75261324570479 15.999 > 113 114 O 0.82054786586989 0.86560445081743 0.75261324570479 15.999 > 113 115 O 0.17945213413011 0.36560445081743 0.74738675429521 15.999 > 115 116 O 0.67945213413011 0.36560445081743 0.74738675429521 15.999 > 115 117 O 0.32054786586989 0.63439554918257 0.25261324570478 15.999 > 117 118 O 0.82054786586989 0.63439554918257 0.25261324570478 15.999 > 117 119 O 0.00995340768844 0.26683030354257 0.86881362056076 15.999 > 119 120 O 0.50995340768844 0.26683030354257 0.86881362056076 15.999 > 119 121 O 0.10297347821750 0.73369771659002 0.50329609368156 15.999 > 121 122 O 0.60297347821750 0.73369771659002 0.50329609368156 15.999 > 121 123 O 0.16330742893560 0.83336761290913 0.65890069405562 15.999 > 123 124 O 0.66330742893560 0.83336761290913 0.65890069405562 15.999 > 123 125 O 0.49004659231156 0.73316969645743 0.13118637943924 15.999 > 125 126 O 0.99004659231156 0.73316969645743 0.13118637943924 15.999 > 125 127 O 0.10796523063897 0.54823059732599 0.63717475648065 15.999 > 127 128 O 0.60796523063897 0.54823059732599 0.63717475648065 15.999 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6862521 0.0000000 0.0064674 0.0000000 2.4846461 0.0000000 0.0064675 0.0000000 2.6616259 -------------------------- Born effective charges -------------------------- 1 K 1.2897553 0.0037114 0.0182417 0.0007907 1.1012247 -0.0284795 0.0132651 0.0149805 1.2252927 2 K 1.2897553 -0.0037114 0.0182417 -0.0007907 1.1012247 0.0284795 0.0132651 -0.0149805 1.2252927 3 K 1.2897553 -0.0037114 0.0182417 -0.0007907 1.1012247 0.0284795 0.0132651 -0.0149805 1.2252927 4 K 1.2897553 0.0037114 0.0182417 0.0007907 1.1012247 -0.0284795 0.0132651 0.0149805 1.2252927 5 Sr 2.4803705 0.0624419 -0.1577266 0.1719282 2.6260667 -0.0593234 -0.0481814 0.1092895 2.3473246 6 Sr 2.4803705 -0.0624419 -0.1577266 -0.1719282 2.6260667 0.0593234 -0.0481814 -0.1092895 2.3473246 7 Sr 2.4803705 0.0624419 -0.1577266 0.1719282 2.6260667 -0.0593234 -0.0481814 0.1092895 2.3473246 8 Sr 2.4803705 -0.0624419 -0.1577266 -0.1719282 2.6260667 0.0593234 -0.0481814 -0.1092895 2.3473246 9 B 2.1400275 0.4406270 -0.1265965 0.3935175 0.7252905 0.1129425 -0.3097079 0.2206952 3.1426842 10 B 2.3099266 -0.3385300 0.6308328 -0.4544151 2.2498320 0.9778238 0.4739963 0.8980383 1.5111245 11 B 2.7040353 0.3089192 -0.3623367 0.3118420 2.4439963 0.1808956 0.0812590 -0.1090363 2.3442251 12 B 2.1400275 0.4406270 -0.1265965 0.3935175 0.7252905 0.1129425 -0.3097079 0.2206952 3.1426842 13 B 2.3445876 0.1184234 0.5015811 0.0747415 2.1215319 0.2183654 0.2762887 0.3532225 2.6655206 14 B 2.3099266 0.3385300 0.6308328 0.4544151 2.2498320 -0.9778238 0.4739963 -0.8980383 1.5111245 15 B 2.8553662 -0.2854146 -0.2003617 -0.3001748 0.7668329 -0.1828929 -0.2791640 -0.2836130 2.5483975 16 B 2.3099266 0.3385300 0.6308328 0.4544151 2.2498320 -0.9778238 0.4739963 -0.8980383 1.5111245 17 B 2.8553662 0.2854146 -0.2003617 0.3001748 0.7668329 0.1828929 -0.2791640 0.2836130 2.5483975 18 B 2.3445876 -0.1184234 0.5015811 -0.0747415 2.1215319 -0.2183654 0.2762887 -0.3532225 2.6655206 19 B 2.3445876 0.1184234 0.5015811 0.0747415 2.1215319 0.2183654 0.2762887 0.3532225 2.6655206 20 B 2.7040353 0.3089192 -0.3623367 0.3118420 2.4439963 0.1808956 0.0812590 -0.1090363 2.3442251 21 B 2.1400275 -0.4406270 -0.1265965 -0.3935175 0.7252905 -0.1129425 -0.3097079 -0.2206952 3.1426842 22 B 2.7040353 -0.3089192 -0.3623367 -0.3118420 2.4439963 -0.1808956 0.0812590 0.1090363 2.3442251 23 B 2.8553662 0.2854146 -0.2003617 0.3001748 0.7668329 0.1828929 -0.2791640 0.2836130 2.5483975 24 B 2.8553662 -0.2854146 -0.2003617 -0.3001748 0.7668329 -0.1828929 -0.2791640 -0.2836130 2.5483975 25 B 2.3445876 -0.1184234 0.5015811 -0.0747415 2.1215319 -0.2183654 0.2762887 -0.3532225 2.6655206 26 B 2.1400275 -0.4406270 -0.1265965 -0.3935175 0.7252905 -0.1129425 -0.3097079 -0.2206952 3.1426842 27 B 2.7040353 -0.3089192 -0.3623367 -0.3118420 2.4439963 -0.1808956 0.0812590 0.1090363 2.3442251 28 B 2.3099266 -0.3385300 0.6308328 -0.4544151 2.2498320 0.9778238 0.4739963 0.8980383 1.5111245 29 O -1.8480639 -0.4454302 -0.0241494 -0.3959001 -2.0578533 0.3093850 -0.0735461 0.3512271 -0.9182600 30 O -1.2093329 -0.0653645 0.1139880 -0.0908112 -1.4533781 -0.0141907 0.1433795 -0.0187505 -2.5582087 31 O -2.1644961 0.2952371 -0.3199501 0.3040673 -1.0599412 0.0926547 -0.2896333 0.1776913 -1.6154942 32 O -1.7019294 0.2811665 -0.4945070 0.1909126 -1.6952368 0.5955654 -0.4646012 0.6081107 -1.3992775 33 O -1.8283051 -0.2030210 0.6334373 -0.2375636 -0.6203959 -0.0018812 0.6840864 -0.0718872 -2.0781878 34 O -1.8283051 0.2030210 0.6334373 0.2375636 -0.6203959 0.0018812 0.6840864 0.0718872 -2.0781878 35 O -1.7019294 -0.2811665 -0.4945070 -0.1909126 -1.6952368 -0.5955654 -0.4646012 -0.6081107 -1.3992775 36 O -1.3907351 -0.1982215 -0.4114355 -0.1626016 -0.7998782 -0.2835142 -0.3080623 -0.3346110 -2.5105542 37 O -2.4032251 0.0436647 0.7587230 0.0425872 -0.8968025 0.0403495 0.7002732 0.1226698 -1.6568808 38 O -1.2093329 0.0653645 0.1139880 0.0908112 -1.4533781 0.0141907 0.1433795 0.0187505 -2.5582087 39 O -2.3265671 -0.0446921 -0.3523495 -0.0625064 -1.4386510 -0.2502679 -0.3663422 -0.1545611 -1.3473929 40 O -1.3907351 -0.1982215 -0.4114355 -0.1626016 -0.7998782 -0.2835142 -0.3080623 -0.3346110 -2.5105542 41 O -1.2093329 -0.0653645 0.1139880 -0.0908112 -1.4533781 -0.0141907 0.1433795 -0.0187505 -2.5582087 42 O -1.3907351 0.1982215 -0.4114355 0.1626016 -0.7998782 0.2835142 -0.3080623 0.3346110 -2.5105542 43 O -1.8283051 0.2030210 0.6334373 0.2375636 -0.6203959 0.0018812 0.6840864 0.0718872 -2.0781878 44 O -2.4032251 -0.0436647 0.7587230 -0.0425872 -0.8968025 -0.0403495 0.7002732 -0.1226698 -1.6568808 45 O -2.1644961 0.2952371 -0.3199501 0.3040673 -1.0599412 0.0926547 -0.2896333 0.1776913 -1.6154942 46 O -2.3265671 0.0446921 -0.3523495 0.0625064 -1.4386510 0.2502679 -0.3663422 0.1545611 -1.3473929 47 O -1.8480639 0.4454302 -0.0241494 0.3959001 -2.0578533 -0.3093850 -0.0735461 -0.3512271 -0.9182600 48 O -1.2093329 0.0653645 0.1139880 0.0908112 -1.4533781 0.0141907 0.1433795 0.0187505 -2.5582087 49 O -2.4032251 0.0436647 0.7587230 0.0425872 -0.8968025 0.0403495 0.7002732 0.1226698 -1.6568808 50 O -1.8283051 -0.2030210 0.6334373 -0.2375636 -0.6203959 -0.0018812 0.6840864 -0.0718872 -2.0781878 51 O -2.4032251 -0.0436647 0.7587230 -0.0425872 -0.8968025 -0.0403495 0.7002732 -0.1226698 -1.6568808 52 O -2.3265671 0.0446921 -0.3523495 0.0625064 -1.4386510 0.2502679 -0.3663422 0.1545611 -1.3473929 53 O -1.8480639 -0.4454302 -0.0241494 -0.3959001 -2.0578533 0.3093850 -0.0735461 0.3512271 -0.9182600 54 O -1.2514145 -0.2066717 -0.2073909 -0.1467217 -2.0126379 -0.9196924 -0.2333098 -0.7888345 -1.7003132 55 O -1.7019294 -0.2811665 -0.4945070 -0.1909126 -1.6952368 -0.5955654 -0.4646012 -0.6081107 -1.3992775 56 O -1.8480639 0.4454302 -0.0241494 0.3959001 -2.0578533 -0.3093850 -0.0735461 -0.3512271 -0.9182600 57 O -1.2514145 -0.2066717 -0.2073909 -0.1467217 -2.0126379 -0.9196924 -0.2333098 -0.7888345 -1.7003132 58 O -1.2514145 0.2066717 -0.2073909 0.1467217 -2.0126379 0.9196924 -0.2333098 0.7888345 -1.7003132 59 O -1.2514145 0.2066717 -0.2073909 0.1467217 -2.0126379 0.9196924 -0.2333098 0.7888345 -1.7003132 60 O -2.1644961 -0.2952371 -0.3199501 -0.3040673 -1.0599412 -0.0926547 -0.2896333 -0.1776913 -1.6154942 61 O -1.3907351 0.1982215 -0.4114355 0.1626016 -0.7998782 0.2835142 -0.3080623 0.3346110 -2.5105542 62 O -2.3265671 -0.0446921 -0.3523495 -0.0625064 -1.4386510 -0.2502679 -0.3663422 -0.1545611 -1.3473929 63 O -2.1644961 -0.2952371 -0.3199501 -0.3040673 -1.0599412 -0.0926547 -0.2896333 -0.1776913 -1.6154942 64 O -1.7019294 0.2811665 -0.4945070 0.1909126 -1.6952368 0.5955654 -0.4646012 0.6081107 -1.3992775 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 19, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 59, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 63, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 71, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 77, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 107, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 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 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:34:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:34:24]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.701642010288462 0.000000000000000 0.000000000000000 b 0.000000000000000 7.958284000000000 0.000000000000000 c -0.809239776244711 0.000000000000000 14.248933582225206 Atomic positions (fractional): 1 K 0.50257314538684 0.34455293395082 0.10097072736964 39.098 2 K 0.49742685461316 0.84455293395082 0.39902927263036 39.098 3 K 0.50257314538684 0.15544706604918 0.60097072736964 39.098 4 K 0.49742685461316 0.65544706604918 0.89902927263036 39.098 5 Sr 0.07978882041886 0.51399984220235 0.26035688769782 87.620 6 Sr 0.92021117958114 0.01399984220235 0.23964311230218 87.620 7 Sr 0.92021117958114 0.48600015779765 0.73964311230218 87.620 8 Sr 0.07978882041886 0.98600015779765 0.76035688769782 87.620 9 B 0.94143968708978 0.28491481142848 0.06210865965812 10.811 10 B 0.38076025690481 0.99498585121521 0.19351486547617 10.811 11 B 0.46534872170212 0.21676622915394 0.32764418137978 10.811 12 B 0.05856031291022 0.71508518857152 0.93789134034188 10.811 13 B 0.81082233258410 0.22329785074451 0.89602482878786 10.811 14 B 0.38076025690481 0.50501414878479 0.69351486547617 10.811 15 B 0.82981284211049 0.80528781488791 0.56468383758992 10.811 16 B 0.61923974309519 0.49498585121521 0.30648513452383 10.811 17 B 0.82981284211049 0.69471218511209 0.06468383758992 10.811 18 B 0.81082233258410 0.27670214925549 0.39602482878786 10.811 19 B 0.18917766741590 0.77670214925549 0.10397517121214 10.811 20 B 0.53465127829787 0.78323377084606 0.67235581862022 10.811 21 B 0.05856031291022 0.78491481142848 0.43789134034188 10.811 22 B 0.53465127829787 0.71676622915394 0.17235581862022 10.811 23 B 0.17018715788951 0.30528781488791 0.93531616241008 10.811 24 B 0.17018715788951 0.19471218511209 0.43531616241008 10.811 25 B 0.18917766741590 0.72329785074451 0.60397517121214 10.811 26 B 0.94143968708978 0.21508518857152 0.56210865965812 10.811 27 B 0.46534872170212 0.28323377084606 0.82764418137978 10.811 28 B 0.61923974309519 0.00501414878479 0.80648513452383 10.811 29 O 0.55420398154704 0.59874423949301 0.69548696386674 15.999 30 O 0.08835436680549 0.70426522994316 0.84573587157356 15.999 31 O 0.01990681537688 0.23316969645743 0.36881362056076 15.999 32 O 0.78406953872206 0.45176940267401 0.36282524351935 15.999 33 O 0.87063433832022 0.67226089536440 0.97165334281678 15.999 34 O 0.87063433832022 0.82773910463560 0.47165334281678 15.999 35 O 0.78406953872206 0.04823059732599 0.86282524351935 15.999 36 O 0.79405304356499 0.23369771659002 0.99670390631844 15.999 37 O 0.36417070423890 0.17742193625110 0.41423877326568 15.999 38 O 0.08835436680549 0.79573477005684 0.34573587157356 15.999 39 O 0.67338514212880 0.16663238709087 0.34109930594438 15.999 40 O 0.20594695643501 0.76630228340998 0.00329609368156 15.999 41 O 0.91164563319451 0.29573477005684 0.15426412842644 15.999 42 O 0.79405304356499 0.26630228340998 0.49670390631844 15.999 43 O 0.12936566167978 0.17226089536440 0.52834665718322 15.999 44 O 0.36417070423890 0.32257806374890 0.91423877326568 15.999 45 O 0.98009318462313 0.76683030354257 0.63118637943924 15.999 46 O 0.32661485787120 0.66663238709087 0.15890069405562 15.999 47 O 0.44579601845296 0.09874423949301 0.80451303613326 15.999 48 O 0.91164563319451 0.20426522994317 0.65426412842644 15.999 49 O 0.63582929576110 0.82257806374890 0.58576122673432 15.999 50 O 0.12936566167978 0.32773910463560 0.02834665718322 15.999 51 O 0.63582929576110 0.67742193625110 0.08576122673432 15.999 52 O 0.67338514212880 0.33336761290913 0.84109930594438 15.999 53 O 0.44579601845296 0.40125576050699 0.30451303613326 15.999 54 O 0.35890426826022 0.13439554918257 0.24738675429522 15.999 55 O 0.21593046127794 0.95176940267401 0.13717475648065 15.999 56 O 0.55420398154704 0.90125576050699 0.19548696386674 15.999 57 O 0.64109573173977 0.86560445081743 0.75261324570479 15.999 58 O 0.35890426826022 0.36560445081743 0.74738675429521 15.999 59 O 0.64109573173977 0.63439554918257 0.25261324570478 15.999 60 O 0.01990681537688 0.26683030354257 0.86881362056076 15.999 61 O 0.20594695643501 0.73369771659002 0.50329609368156 15.999 62 O 0.32661485787120 0.83336761290913 0.65890069405562 15.999 63 O 0.98009318462313 0.73316969645743 0.13118637943924 15.999 64 O 0.21593046127794 0.54823059732599 0.63717475648065 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.403284020576924 0.000000000000000 0.000000000000000 b 0.000000000000000 7.958284000000000 0.000000000000000 c -0.809239776244711 0.000000000000000 14.248933582225206 Atomic positions (fractional): 1 K 0.25128657269342 0.34455293395082 0.10097072736964 39.098 > 1 2 K 0.75128657269342 0.34455293395082 0.10097072736964 39.098 > 1 3 K 0.24871342730658 0.84455293395082 0.39902927263036 39.098 > 3 4 K 0.74871342730658 0.84455293395082 0.39902927263036 39.098 > 3 5 K 0.25128657269342 0.15544706604918 0.60097072736964 39.098 > 5 6 K 0.75128657269342 0.15544706604918 0.60097072736964 39.098 > 5 7 K 0.24871342730658 0.65544706604918 0.89902927263036 39.098 > 7 8 K 0.74871342730658 0.65544706604918 0.89902927263036 39.098 > 7 9 Sr 0.03989441020943 0.51399984220235 0.26035688769782 87.620 > 9 10 Sr 0.53989441020943 0.51399984220235 0.26035688769782 87.620 > 9 11 Sr 0.46010558979057 0.01399984220235 0.23964311230218 87.620 > 11 12 Sr 0.96010558979057 0.01399984220235 0.23964311230218 87.620 > 11 13 Sr 0.46010558979057 0.48600015779765 0.73964311230218 87.620 > 13 14 Sr 0.96010558979057 0.48600015779765 0.73964311230218 87.620 > 13 15 Sr 0.03989441020943 0.98600015779765 0.76035688769782 87.620 > 15 16 Sr 0.53989441020943 0.98600015779765 0.76035688769782 87.620 > 15 17 B 0.47071984354489 0.28491481142848 0.06210865965812 10.811 > 17 18 B 0.97071984354489 0.28491481142848 0.06210865965812 10.811 > 17 19 B 0.19038012845240 0.99498585121521 0.19351486547617 10.811 > 19 20 B 0.69038012845240 0.99498585121521 0.19351486547617 10.811 > 19 21 B 0.23267436085106 0.21676622915394 0.32764418137978 10.811 > 21 22 B 0.73267436085106 0.21676622915394 0.32764418137978 10.811 > 21 23 B 0.02928015645511 0.71508518857152 0.93789134034188 10.811 > 23 24 B 0.52928015645511 0.71508518857152 0.93789134034188 10.811 > 23 25 B 0.40541116629205 0.22329785074451 0.89602482878786 10.811 > 25 26 B 0.90541116629205 0.22329785074451 0.89602482878786 10.811 > 25 27 B 0.19038012845240 0.50501414878479 0.69351486547617 10.811 > 27 28 B 0.69038012845240 0.50501414878479 0.69351486547617 10.811 > 27 29 B 0.41490642105525 0.80528781488791 0.56468383758992 10.811 > 29 30 B 0.91490642105525 0.80528781488791 0.56468383758992 10.811 > 29 31 B 0.30961987154760 0.49498585121521 0.30648513452383 10.811 > 31 32 B 0.80961987154760 0.49498585121521 0.30648513452383 10.811 > 31 33 B 0.41490642105525 0.69471218511209 0.06468383758992 10.811 > 33 34 B 0.91490642105525 0.69471218511209 0.06468383758992 10.811 > 33 35 B 0.40541116629205 0.27670214925549 0.39602482878786 10.811 > 35 36 B 0.90541116629205 0.27670214925549 0.39602482878786 10.811 > 35 37 B 0.09458883370795 0.77670214925549 0.10397517121214 10.811 > 37 38 B 0.59458883370795 0.77670214925549 0.10397517121214 10.811 > 37 39 B 0.26732563914894 0.78323377084606 0.67235581862022 10.811 > 39 40 B 0.76732563914894 0.78323377084606 0.67235581862022 10.811 > 39 41 B 0.02928015645511 0.78491481142848 0.43789134034188 10.811 > 41 42 B 0.52928015645511 0.78491481142848 0.43789134034188 10.811 > 41 43 B 0.26732563914894 0.71676622915394 0.17235581862022 10.811 > 43 44 B 0.76732563914894 0.71676622915394 0.17235581862022 10.811 > 43 45 B 0.08509357894475 0.30528781488791 0.93531616241008 10.811 > 45 46 B 0.58509357894475 0.30528781488791 0.93531616241008 10.811 > 45 47 B 0.08509357894475 0.19471218511209 0.43531616241008 10.811 > 47 48 B 0.58509357894475 0.19471218511209 0.43531616241008 10.811 > 47 49 B 0.09458883370795 0.72329785074451 0.60397517121214 10.811 > 49 50 B 0.59458883370795 0.72329785074451 0.60397517121214 10.811 > 49 51 B 0.47071984354489 0.21508518857152 0.56210865965812 10.811 > 51 52 B 0.97071984354489 0.21508518857152 0.56210865965812 10.811 > 51 53 B 0.23267436085106 0.28323377084606 0.82764418137978 10.811 > 53 54 B 0.73267436085106 0.28323377084606 0.82764418137978 10.811 > 53 55 B 0.30961987154760 0.00501414878479 0.80648513452383 10.811 > 55 56 B 0.80961987154760 0.00501414878479 0.80648513452383 10.811 > 55 57 O 0.27710199077352 0.59874423949301 0.69548696386674 15.999 > 57 58 O 0.77710199077352 0.59874423949301 0.69548696386674 15.999 > 57 59 O 0.04417718340274 0.70426522994316 0.84573587157356 15.999 > 59 60 O 0.54417718340274 0.70426522994316 0.84573587157356 15.999 > 59 61 O 0.00995340768844 0.23316969645743 0.36881362056076 15.999 > 61 62 O 0.50995340768844 0.23316969645743 0.36881362056076 15.999 > 61 63 O 0.39203476936103 0.45176940267401 0.36282524351935 15.999 > 63 64 O 0.89203476936103 0.45176940267401 0.36282524351935 15.999 > 63 65 O 0.43531716916011 0.67226089536440 0.97165334281678 15.999 > 65 66 O 0.93531716916011 0.67226089536440 0.97165334281678 15.999 > 65 67 O 0.43531716916011 0.82773910463560 0.47165334281678 15.999 > 67 68 O 0.93531716916011 0.82773910463560 0.47165334281678 15.999 > 67 69 O 0.39203476936103 0.04823059732599 0.86282524351935 15.999 > 69 70 O 0.89203476936103 0.04823059732599 0.86282524351935 15.999 > 69 71 O 0.39702652178250 0.23369771659002 0.99670390631844 15.999 > 71 72 O 0.89702652178250 0.23369771659002 0.99670390631844 15.999 > 71 73 O 0.18208535211945 0.17742193625110 0.41423877326568 15.999 > 73 74 O 0.68208535211945 0.17742193625110 0.41423877326568 15.999 > 73 75 O 0.04417718340274 0.79573477005684 0.34573587157356 15.999 > 75 76 O 0.54417718340274 0.79573477005684 0.34573587157356 15.999 > 75 77 O 0.33669257106440 0.16663238709087 0.34109930594438 15.999 > 77 78 O 0.83669257106440 0.16663238709087 0.34109930594438 15.999 > 77 79 O 0.10297347821750 0.76630228340998 0.00329609368156 15.999 > 79 80 O 0.60297347821750 0.76630228340998 0.00329609368156 15.999 > 79 81 O 0.45582281659726 0.29573477005684 0.15426412842644 15.999 > 81 82 O 0.95582281659726 0.29573477005684 0.15426412842644 15.999 > 81 83 O 0.39702652178250 0.26630228340998 0.49670390631844 15.999 > 83 84 O 0.89702652178250 0.26630228340998 0.49670390631844 15.999 > 83 85 O 0.06468283083989 0.17226089536440 0.52834665718322 15.999 > 85 86 O 0.56468283083989 0.17226089536440 0.52834665718322 15.999 > 85 87 O 0.18208535211945 0.32257806374890 0.91423877326568 15.999 > 87 88 O 0.68208535211945 0.32257806374890 0.91423877326568 15.999 > 87 89 O 0.49004659231156 0.76683030354257 0.63118637943924 15.999 > 89 90 O 0.99004659231156 0.76683030354257 0.63118637943924 15.999 > 89 91 O 0.16330742893560 0.66663238709087 0.15890069405562 15.999 > 91 92 O 0.66330742893560 0.66663238709087 0.15890069405562 15.999 > 91 93 O 0.22289800922648 0.09874423949301 0.80451303613326 15.999 > 93 94 O 0.72289800922648 0.09874423949301 0.80451303613326 15.999 > 93 95 O 0.45582281659726 0.20426522994317 0.65426412842644 15.999 > 95 96 O 0.95582281659726 0.20426522994317 0.65426412842644 15.999 > 95 97 O 0.31791464788055 0.82257806374890 0.58576122673432 15.999 > 97 98 O 0.81791464788055 0.82257806374890 0.58576122673432 15.999 > 97 99 O 0.06468283083989 0.32773910463560 0.02834665718322 15.999 > 99 100 O 0.56468283083989 0.32773910463560 0.02834665718322 15.999 > 99 101 O 0.31791464788055 0.67742193625110 0.08576122673432 15.999 > 101 102 O 0.81791464788055 0.67742193625110 0.08576122673432 15.999 > 101 103 O 0.33669257106440 0.33336761290913 0.84109930594438 15.999 > 103 104 O 0.83669257106440 0.33336761290913 0.84109930594438 15.999 > 103 105 O 0.22289800922648 0.40125576050699 0.30451303613326 15.999 > 105 106 O 0.72289800922648 0.40125576050699 0.30451303613326 15.999 > 105 107 O 0.17945213413011 0.13439554918257 0.24738675429522 15.999 > 107 108 O 0.67945213413011 0.13439554918257 0.24738675429522 15.999 > 107 109 O 0.10796523063897 0.95176940267401 0.13717475648065 15.999 > 109 110 O 0.60796523063897 0.95176940267401 0.13717475648065 15.999 > 109 111 O 0.27710199077352 0.90125576050699 0.19548696386674 15.999 > 111 112 O 0.77710199077352 0.90125576050699 0.19548696386674 15.999 > 111 113 O 0.32054786586989 0.86560445081743 0.75261324570479 15.999 > 113 114 O 0.82054786586989 0.86560445081743 0.75261324570479 15.999 > 113 115 O 0.17945213413011 0.36560445081743 0.74738675429521 15.999 > 115 116 O 0.67945213413011 0.36560445081743 0.74738675429521 15.999 > 115 117 O 0.32054786586989 0.63439554918257 0.25261324570478 15.999 > 117 118 O 0.82054786586989 0.63439554918257 0.25261324570478 15.999 > 117 119 O 0.00995340768844 0.26683030354257 0.86881362056076 15.999 > 119 120 O 0.50995340768844 0.26683030354257 0.86881362056076 15.999 > 119 121 O 0.10297347821750 0.73369771659002 0.50329609368156 15.999 > 121 122 O 0.60297347821750 0.73369771659002 0.50329609368156 15.999 > 121 123 O 0.16330742893560 0.83336761290913 0.65890069405562 15.999 > 123 124 O 0.66330742893560 0.83336761290913 0.65890069405562 15.999 > 123 125 O 0.49004659231156 0.73316969645743 0.13118637943924 15.999 > 125 126 O 0.99004659231156 0.73316969645743 0.13118637943924 15.999 > 125 127 O 0.10796523063897 0.54823059732599 0.63717475648065 15.999 > 127 128 O 0.60796523063897 0.54823059732599 0.63717475648065 15.999 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6862521 0.0000000 0.0064674 0.0000000 2.4846461 0.0000000 0.0064675 0.0000000 2.6616259 -------------------------- Born effective charges -------------------------- 1 K 1.2897553 0.0037114 0.0182417 0.0007907 1.1012247 -0.0284795 0.0132651 0.0149805 1.2252927 2 K 1.2897553 -0.0037114 0.0182417 -0.0007907 1.1012247 0.0284795 0.0132651 -0.0149805 1.2252927 3 K 1.2897553 -0.0037114 0.0182417 -0.0007907 1.1012247 0.0284795 0.0132651 -0.0149805 1.2252927 4 K 1.2897553 0.0037114 0.0182417 0.0007907 1.1012247 -0.0284795 0.0132651 0.0149805 1.2252927 5 Sr 2.4803705 0.0624419 -0.1577266 0.1719282 2.6260667 -0.0593234 -0.0481814 0.1092895 2.3473246 6 Sr 2.4803705 -0.0624419 -0.1577266 -0.1719282 2.6260667 0.0593234 -0.0481814 -0.1092895 2.3473246 7 Sr 2.4803705 0.0624419 -0.1577266 0.1719282 2.6260667 -0.0593234 -0.0481814 0.1092895 2.3473246 8 Sr 2.4803705 -0.0624419 -0.1577266 -0.1719282 2.6260667 0.0593234 -0.0481814 -0.1092895 2.3473246 9 B 2.1400275 0.4406270 -0.1265965 0.3935175 0.7252905 0.1129425 -0.3097079 0.2206952 3.1426842 10 B 2.3099266 -0.3385300 0.6308328 -0.4544151 2.2498320 0.9778238 0.4739963 0.8980383 1.5111245 11 B 2.7040353 0.3089192 -0.3623367 0.3118420 2.4439963 0.1808956 0.0812590 -0.1090363 2.3442251 12 B 2.1400275 0.4406270 -0.1265965 0.3935175 0.7252905 0.1129425 -0.3097079 0.2206952 3.1426842 13 B 2.3445876 0.1184234 0.5015811 0.0747415 2.1215319 0.2183654 0.2762887 0.3532225 2.6655206 14 B 2.3099266 0.3385300 0.6308328 0.4544151 2.2498320 -0.9778238 0.4739963 -0.8980383 1.5111245 15 B 2.8553662 -0.2854146 -0.2003617 -0.3001748 0.7668329 -0.1828929 -0.2791640 -0.2836130 2.5483975 16 B 2.3099266 0.3385300 0.6308328 0.4544151 2.2498320 -0.9778238 0.4739963 -0.8980383 1.5111245 17 B 2.8553662 0.2854146 -0.2003617 0.3001748 0.7668329 0.1828929 -0.2791640 0.2836130 2.5483975 18 B 2.3445876 -0.1184234 0.5015811 -0.0747415 2.1215319 -0.2183654 0.2762887 -0.3532225 2.6655206 19 B 2.3445876 0.1184234 0.5015811 0.0747415 2.1215319 0.2183654 0.2762887 0.3532225 2.6655206 20 B 2.7040353 0.3089192 -0.3623367 0.3118420 2.4439963 0.1808956 0.0812590 -0.1090363 2.3442251 21 B 2.1400275 -0.4406270 -0.1265965 -0.3935175 0.7252905 -0.1129425 -0.3097079 -0.2206952 3.1426842 22 B 2.7040353 -0.3089192 -0.3623367 -0.3118420 2.4439963 -0.1808956 0.0812590 0.1090363 2.3442251 23 B 2.8553662 0.2854146 -0.2003617 0.3001748 0.7668329 0.1828929 -0.2791640 0.2836130 2.5483975 24 B 2.8553662 -0.2854146 -0.2003617 -0.3001748 0.7668329 -0.1828929 -0.2791640 -0.2836130 2.5483975 25 B 2.3445876 -0.1184234 0.5015811 -0.0747415 2.1215319 -0.2183654 0.2762887 -0.3532225 2.6655206 26 B 2.1400275 -0.4406270 -0.1265965 -0.3935175 0.7252905 -0.1129425 -0.3097079 -0.2206952 3.1426842 27 B 2.7040353 -0.3089192 -0.3623367 -0.3118420 2.4439963 -0.1808956 0.0812590 0.1090363 2.3442251 28 B 2.3099266 -0.3385300 0.6308328 -0.4544151 2.2498320 0.9778238 0.4739963 0.8980383 1.5111245 29 O -1.8480639 -0.4454302 -0.0241494 -0.3959001 -2.0578533 0.3093850 -0.0735461 0.3512271 -0.9182600 30 O -1.2093329 -0.0653645 0.1139880 -0.0908112 -1.4533781 -0.0141907 0.1433795 -0.0187505 -2.5582087 31 O -2.1644961 0.2952371 -0.3199501 0.3040673 -1.0599412 0.0926547 -0.2896333 0.1776913 -1.6154942 32 O -1.7019294 0.2811665 -0.4945070 0.1909126 -1.6952368 0.5955654 -0.4646012 0.6081107 -1.3992775 33 O -1.8283051 -0.2030210 0.6334373 -0.2375636 -0.6203959 -0.0018812 0.6840864 -0.0718872 -2.0781878 34 O -1.8283051 0.2030210 0.6334373 0.2375636 -0.6203959 0.0018812 0.6840864 0.0718872 -2.0781878 35 O -1.7019294 -0.2811665 -0.4945070 -0.1909126 -1.6952368 -0.5955654 -0.4646012 -0.6081107 -1.3992775 36 O -1.3907351 -0.1982215 -0.4114355 -0.1626016 -0.7998782 -0.2835142 -0.3080623 -0.3346110 -2.5105542 37 O -2.4032251 0.0436647 0.7587230 0.0425872 -0.8968025 0.0403495 0.7002732 0.1226698 -1.6568808 38 O -1.2093329 0.0653645 0.1139880 0.0908112 -1.4533781 0.0141907 0.1433795 0.0187505 -2.5582087 39 O -2.3265671 -0.0446921 -0.3523495 -0.0625064 -1.4386510 -0.2502679 -0.3663422 -0.1545611 -1.3473929 40 O -1.3907351 -0.1982215 -0.4114355 -0.1626016 -0.7998782 -0.2835142 -0.3080623 -0.3346110 -2.5105542 41 O -1.2093329 -0.0653645 0.1139880 -0.0908112 -1.4533781 -0.0141907 0.1433795 -0.0187505 -2.5582087 42 O -1.3907351 0.1982215 -0.4114355 0.1626016 -0.7998782 0.2835142 -0.3080623 0.3346110 -2.5105542 43 O -1.8283051 0.2030210 0.6334373 0.2375636 -0.6203959 0.0018812 0.6840864 0.0718872 -2.0781878 44 O -2.4032251 -0.0436647 0.7587230 -0.0425872 -0.8968025 -0.0403495 0.7002732 -0.1226698 -1.6568808 45 O -2.1644961 0.2952371 -0.3199501 0.3040673 -1.0599412 0.0926547 -0.2896333 0.1776913 -1.6154942 46 O -2.3265671 0.0446921 -0.3523495 0.0625064 -1.4386510 0.2502679 -0.3663422 0.1545611 -1.3473929 47 O -1.8480639 0.4454302 -0.0241494 0.3959001 -2.0578533 -0.3093850 -0.0735461 -0.3512271 -0.9182600 48 O -1.2093329 0.0653645 0.1139880 0.0908112 -1.4533781 0.0141907 0.1433795 0.0187505 -2.5582087 49 O -2.4032251 0.0436647 0.7587230 0.0425872 -0.8968025 0.0403495 0.7002732 0.1226698 -1.6568808 50 O -1.8283051 -0.2030210 0.6334373 -0.2375636 -0.6203959 -0.0018812 0.6840864 -0.0718872 -2.0781878 51 O -2.4032251 -0.0436647 0.7587230 -0.0425872 -0.8968025 -0.0403495 0.7002732 -0.1226698 -1.6568808 52 O -2.3265671 0.0446921 -0.3523495 0.0625064 -1.4386510 0.2502679 -0.3663422 0.1545611 -1.3473929 53 O -1.8480639 -0.4454302 -0.0241494 -0.3959001 -2.0578533 0.3093850 -0.0735461 0.3512271 -0.9182600 54 O -1.2514145 -0.2066717 -0.2073909 -0.1467217 -2.0126379 -0.9196924 -0.2333098 -0.7888345 -1.7003132 55 O -1.7019294 -0.2811665 -0.4945070 -0.1909126 -1.6952368 -0.5955654 -0.4646012 -0.6081107 -1.3992775 56 O -1.8480639 0.4454302 -0.0241494 0.3959001 -2.0578533 -0.3093850 -0.0735461 -0.3512271 -0.9182600 57 O -1.2514145 -0.2066717 -0.2073909 -0.1467217 -2.0126379 -0.9196924 -0.2333098 -0.7888345 -1.7003132 58 O -1.2514145 0.2066717 -0.2073909 0.1467217 -2.0126379 0.9196924 -0.2333098 0.7888345 -1.7003132 59 O -1.2514145 0.2066717 -0.2073909 0.1467217 -2.0126379 0.9196924 -0.2333098 0.7888345 -1.7003132 60 O -2.1644961 -0.2952371 -0.3199501 -0.3040673 -1.0599412 -0.0926547 -0.2896333 -0.1776913 -1.6154942 61 O -1.3907351 0.1982215 -0.4114355 0.1626016 -0.7998782 0.2835142 -0.3080623 0.3346110 -2.5105542 62 O -2.3265671 -0.0446921 -0.3523495 -0.0625064 -1.4386510 -0.2502679 -0.3663422 -0.1545611 -1.3473929 63 O -2.1644961 -0.2952371 -0.3199501 -0.3040673 -1.0599412 -0.0926547 -0.2896333 -0.1776913 -1.6154942 64 O -1.7019294 0.2811665 -0.4945070 0.1909126 -1.6952368 0.5955654 -0.4646012 0.6081107 -1.3992775 ---------------------------------------------------------------------------- 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 ... [ 7 6 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.46, Number of G-points: 297, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.182 ( 0.000 0.000 0.000) 0.000 1.955 ( 0.000 0.000 0.000) 0.000 2.023 ( 0.000 0.000 0.000) 0.000 2.245 ( 0.000 0.000 0.000) 0.000 2.361 ( 0.000 0.000 0.000) 0.000 2.610 ( 0.000 0.000 0.000) 0.000 2.797 ( 0.000 0.000 0.000) 0.000 2.812 ( 0.000 0.000 0.000) 0.000 2.865 ( 0.000 0.000 0.000) 0.000 2.874 ( 0.000 0.000 0.000) 0.000 2.914 ( 0.000 0.000 0.000) 0.000 3.139 ( 0.000 0.000 0.000) 0.000 3.227 ( 0.000 0.000 0.000) 0.000 3.329 ( 0.000 0.000 0.000) 0.000 3.403 ( 0.000 0.000 0.000) 0.000 3.502 ( 0.000 0.000 0.000) 0.000 3.654 ( 0.000 0.000 0.000) 0.000 3.655 ( 0.000 0.000 0.000) 0.000 3.718 ( 0.000 0.000 0.000) 0.000 3.800 ( 0.000 0.000 0.000) 0.000 3.880 ( 0.000 0.000 0.000) 0.000 4.049 ( 0.000 0.000 0.000) 0.000 4.074 ( 0.000 0.000 0.000) 0.000 4.215 ( 0.000 0.000 0.000) 0.000 4.219 ( 0.000 0.000 0.000) 0.000 4.325 ( 0.000 0.000 0.000) 0.000 4.365 ( 0.000 0.000 0.000) 0.000 4.374 ( 0.000 0.000 0.000) 0.000 4.388 ( 0.000 0.000 0.000) 0.000 4.465 ( 0.000 0.000 0.000) 0.000 4.508 ( 0.000 0.000 0.000) 0.000 4.548 ( 0.000 0.000 0.000) 0.000 4.616 ( 0.000 0.000 0.000) 0.000 4.667 ( 0.000 0.000 0.000) 0.000 4.745 ( 0.000 0.000 0.000) 0.000 4.962 ( 0.000 0.000 0.000) 0.000 5.071 ( 0.000 0.000 0.000) 0.000 5.314 ( 0.000 0.000 0.000) 0.000 5.361 ( 0.000 0.000 0.000) 0.000 5.455 ( 0.000 0.000 0.000) 0.000 5.507 ( 0.000 0.000 0.000) 0.000 5.564 ( 0.000 0.000 0.000) 0.000 5.626 ( 0.000 0.000 0.000) 0.000 5.802 ( 0.000 0.000 0.000) 0.000 5.886 ( 0.000 0.000 0.000) 0.000 6.262 ( 0.000 0.000 0.000) 0.000 6.385 ( 0.000 0.000 0.000) 0.000 6.471 ( 0.000 0.000 0.000) 0.000 6.489 ( 0.000 0.000 0.000) 0.000 6.749 ( 0.000 0.000 0.000) 0.000 6.755 ( 0.000 0.000 0.000) 0.000 6.793 ( 0.000 0.000 0.000) 0.000 6.833 ( 0.000 0.000 0.000) 0.000 7.231 ( 0.000 0.000 0.000) 0.000 7.324 ( 0.000 0.000 0.000) 0.000 7.838 ( 0.000 0.000 0.000) 0.000 7.980 ( 0.000 0.000 0.000) 0.000 8.383 ( 0.000 0.000 0.000) 0.000 8.460 ( 0.000 0.000 0.000) 0.000 8.739 ( 0.000 0.000 0.000) 0.000 8.801 ( 0.000 0.000 0.000) 0.000 9.472 ( 0.000 0.000 0.000) 0.000 9.498 ( 0.000 0.000 0.000) 0.000 9.539 ( 0.000 0.000 0.000) 0.000 9.550 ( 0.000 0.000 0.000) 0.000 10.154 ( 0.000 0.000 0.000) 0.000 10.175 ( 0.000 0.000 0.000) 0.000 10.293 ( 0.000 0.000 0.000) 0.000 10.319 ( 0.000 0.000 0.000) 0.000 11.006 ( 0.000 0.000 0.000) 0.000 11.049 ( 0.000 0.000 0.000) 0.000 11.676 ( 0.000 0.000 0.000) 0.000 11.853 ( 0.000 0.000 0.000) 0.000 12.108 ( 0.000 0.000 0.000) 0.000 12.147 ( 0.000 0.000 0.000) 0.000 12.537 ( 0.000 0.000 0.000) 0.000 12.711 ( 0.000 0.000 0.000) 0.000 12.800 ( 0.000 0.000 0.000) 0.000 12.844 ( 0.000 0.000 0.000) 0.000 13.239 ( 0.000 0.000 0.000) 0.000 13.249 ( 0.000 0.000 0.000) 0.000 13.636 ( 0.000 0.000 0.000) 0.000 13.687 ( 0.000 0.000 0.000) 0.000 14.473 ( 0.000 0.000 0.000) 0.000 14.512 ( 0.000 0.000 0.000) 0.000 14.523 ( 0.000 0.000 0.000) 0.000 14.742 ( 0.000 0.000 0.000) 0.000 14.945 ( 0.000 0.000 0.000) 0.000 15.005 ( 0.000 0.000 0.000) 0.000 15.985 ( 0.000 0.000 0.000) 0.000 15.997 ( 0.000 0.000 0.000) 0.000 16.268 ( 0.000 0.000 0.000) 0.000 16.299 ( 0.000 0.000 0.000) 0.000 16.314 ( 0.000 0.000 0.000) 0.000 16.358 ( 0.000 0.000 0.000) 0.000 16.750 ( 0.000 0.000 0.000) 0.000 16.760 ( 0.000 0.000 0.000) 0.000 17.627 ( 0.000 0.000 0.000) 0.000 17.644 ( 0.000 0.000 0.000) 0.000 18.205 ( 0.000 0.000 0.000) 0.000 18.209 ( 0.000 0.000 0.000) 0.000 18.648 ( 0.000 0.000 0.000) 0.000 18.720 ( 0.000 0.000 0.000) 0.000 19.229 ( 0.000 0.000 0.000) 0.000 19.240 ( 0.000 0.000 0.000) 0.000 19.525 ( 0.000 0.000 0.000) 0.000 19.538 ( 0.000 0.000 0.000) 0.000 19.931 ( 0.000 0.000 0.000) 0.000 20.017 ( 0.000 0.000 0.000) 0.000 20.035 ( 0.000 0.000 0.000) 0.000 20.108 ( 0.000 0.000 0.000) 0.000 20.245 ( 0.000 0.000 0.000) 0.000 20.275 ( 0.000 0.000 0.000) 0.000 20.417 ( 0.000 0.000 0.000) 0.000 20.431 ( 0.000 0.000 0.000) 0.000 20.998 ( 0.000 0.000 0.000) 0.000 20.998 ( 0.000 0.000 0.000) 0.000 21.340 ( 0.000 0.000 0.000) 0.000 21.359 ( 0.000 0.000 0.000) 0.000 21.550 ( 0.000 0.000 0.000) 0.000 21.595 ( 0.000 0.000 0.000) 0.000 21.755 ( 0.000 0.000 0.000) 0.000 21.761 ( 0.000 0.000 0.000) 0.000 22.026 ( 0.000 0.000 0.000) 0.000 22.064 ( 0.000 0.000 0.000) 0.000 22.294 ( 0.000 0.000 0.000) 0.000 22.346 ( 0.000 0.000 0.000) 0.000 23.364 ( 0.000 0.000 0.000) 0.000 23.418 ( 0.000 0.000 0.000) 0.000 24.161 ( 0.000 0.000 0.000) 0.000 24.297 ( 0.000 0.000 0.000) 0.000 25.227 ( 0.000 0.000 0.000) 0.000 25.352 ( 0.000 0.000 0.000) 0.000 26.239 ( 0.000 0.000 0.000) 0.000 26.299 ( 0.000 0.000 0.000) 0.000 26.403 ( 0.000 0.000 0.000) 0.000 26.552 ( 0.000 0.000 0.000) 0.000 26.681 ( 0.000 0.000 0.000) 0.000 26.691 ( 0.000 0.000 0.000) 0.000 27.017 ( 0.000 0.000 0.000) 0.000 27.084 ( 0.000 0.000 0.000) 0.000 27.217 ( 0.000 0.000 0.000) 0.000 27.261 ( 0.000 0.000 0.000) 0.000 28.142 ( 0.000 0.000 0.000) 0.000 28.192 ( 0.000 0.000 0.000) 0.000 28.546 ( 0.000 0.000 0.000) 0.000 28.551 ( 0.000 0.000 0.000) 0.000 28.575 ( 0.000 0.000 0.000) 0.000 28.587 ( 0.000 0.000 0.000) 0.000 29.617 ( 0.000 0.000 0.000) 0.000 29.727 ( 0.000 0.000 0.000) 0.000 30.074 ( 0.000 0.000 0.000) 0.000 30.642 ( 0.000 0.000 0.000) 0.000 31.863 ( 0.000 0.000 0.000) 0.000 31.873 ( 0.000 0.000 0.000) 0.000 31.909 ( 0.000 0.000 0.000) 0.000 31.925 ( 0.000 0.000 0.000) 0.000 32.485 ( 0.000 0.000 0.000) 0.000 32.630 ( 0.000 0.000 0.000) 0.000 32.905 ( 0.000 0.000 0.000) 0.000 33.185 ( 0.000 0.000 0.000) 0.000 33.691 ( 0.000 0.000 0.000) 0.000 33.925 ( 0.000 0.000 0.000) 0.000 34.021 ( 0.000 0.000 0.000) 0.000 34.067 ( 0.000 0.000 0.000) 0.000 36.729 ( 0.000 0.000 0.000) 0.000 36.796 ( 0.000 0.000 0.000) 0.000 37.012 ( 0.000 0.000 0.000) 0.000 37.113 ( 0.000 0.000 0.000) 0.000 39.004 ( 0.000 0.000 0.000) 0.000 39.330 ( 0.000 0.000 0.000) 0.000 39.442 ( 0.000 0.000 0.000) 0.000 39.466 ( 0.000 0.000 0.000) 0.000 39.862 ( 0.000 0.000 0.000) 0.000 40.118 ( 0.000 0.000 0.000) 0.000 40.185 ( 0.000 0.000 0.000) 0.000 40.446 ( 0.000 0.000 0.000) 0.000 40.636 ( 0.000 0.000 0.000) 0.000 40.708 ( 0.000 0.000 0.000) 0.000 40.897 ( 0.000 0.000 0.000) 0.000 40.931 ( 0.000 0.000 0.000) 0.000 41.775 ( 0.000 0.000 0.000) 0.000 42.222 ( 0.000 0.000 0.000) 0.000 42.515 ( 0.000 0.000 0.000) 0.000 43.185 ( 0.000 0.000 0.000) 0.000 43.226 ( 0.000 0.000 0.000) 0.000 43.273 ( 0.000 0.000 0.000) 0.000 43.349 ( 0.000 0.000 0.000) 0.000 44.049 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 26.897 0.000 5.334) 27.421 0.762 ( 36.721 0.000 -6.467) 37.286 1.193 ( 28.350 0.000 -12.039) 30.801 1.639 ( 50.039 0.000 0.422) 50.041 1.999 ( -1.682 0.000 4.970) 5.247 2.083 ( 9.935 0.000 2.446) 10.232 2.422 ( 5.959 0.000 0.367) 5.971 2.511 ( -5.713 0.000 7.316) 9.282 2.613 ( 15.864 0.000 -0.608) 15.875 2.679 ( 7.604 0.000 -2.097) 7.888 2.784 ( -1.160 0.000 -4.958) 5.092 2.900 ( 1.866 0.000 -3.968) 4.385 2.903 ( 8.422 0.000 3.052) 8.958 3.106 ( 5.453 0.000 -1.856) 5.760 3.147 ( -0.160 0.000 3.464) 3.467 3.200 ( -4.141 0.000 1.020) 4.265 3.490 ( 7.112 0.000 -2.789) 7.639 3.531 ( 2.149 0.000 -5.972) 6.347 3.555 ( 8.767 0.000 5.227) 10.207 3.679 ( 0.602 0.000 -5.305) 5.339 3.712 ( 6.555 0.000 1.676) 6.766 3.799 ( -0.387 0.000 -1.344) 1.398 3.805 ( -3.204 0.000 0.425) 3.232 3.915 ( -3.294 0.000 3.460) 4.777 4.055 ( 1.594 0.000 -0.556) 1.688 4.143 ( 4.689 0.000 -1.958) 5.081 4.172 ( -0.609 0.000 4.042) 4.088 4.304 ( 6.747 0.000 1.567) 6.926 4.316 ( -6.654 0.000 -0.636) 6.685 4.341 ( 3.852 0.000 -0.401) 3.873 4.380 ( -1.623 0.000 -1.961) 2.546 4.458 ( -3.364 0.000 -1.411) 3.648 4.519 ( 0.973 0.000 -1.017) 1.407 4.522 ( 5.350 0.000 -2.031) 5.722 4.619 ( 4.062 0.000 -2.273) 4.655 4.682 ( 4.331 0.000 -1.982) 4.763 4.768 ( 4.484 0.000 0.543) 4.517 4.806 ( 12.481 0.000 -6.283) 13.973 4.950 ( -0.098 0.000 2.854) 2.856 5.100 ( -5.703 0.000 7.897) 9.741 5.483 ( 1.649 0.000 14.081) 14.177 5.523 ( 13.695 0.000 3.876) 14.233 5.526 ( 2.012 0.000 -3.431) 3.977 5.537 ( -1.866 0.000 3.922) 4.343 5.566 ( 8.480 0.000 -2.279) 8.781 5.703 ( -1.743 0.000 0.546) 1.827 5.854 ( 4.860 0.000 0.692) 4.909 5.949 ( -10.989 0.000 -5.423) 12.254 6.287 ( 3.106 0.000 -2.668) 4.095 6.380 ( -4.430 0.000 0.231) 4.436 6.495 ( -4.066 0.000 -5.972) 7.225 6.569 ( 11.183 0.000 -6.041) 12.711 6.639 ( 3.333 0.000 1.523) 3.665 6.768 ( -3.573 0.000 -4.198) 5.512 6.912 ( 6.121 0.000 5.305) 8.100 6.928 ( 4.598 0.000 3.592) 5.835 7.408 ( 13.010 0.000 -4.167) 13.661 7.504 ( 14.878 0.000 -2.715) 15.123 7.844 ( -3.449 0.000 3.765) 5.106 7.936 ( -3.951 0.000 0.413) 3.973 8.346 ( -2.398 0.000 2.455) 3.432 8.402 ( -3.655 0.000 6.044) 7.063 8.740 ( -0.362 0.000 -5.951) 5.962 8.780 ( -2.044 0.000 -2.508) 3.236 9.471 ( -0.892 0.000 -0.291) 0.938 9.477 ( 1.283 0.000 0.724) 1.473 9.593 ( 1.992 0.000 -0.033) 1.993 9.601 ( 3.805 0.000 0.334) 3.820 10.177 ( 1.867 0.000 0.929) 2.085 10.194 ( 1.984 0.000 -0.816) 2.146 10.323 ( 2.370 0.000 1.894) 3.034 10.358 ( 2.901 0.000 -2.270) 3.683 11.001 ( -0.262 0.000 0.016) 0.262 11.041 ( -0.680 0.000 -0.058) 0.683 11.617 ( -5.345 0.000 -0.989) 5.436 11.810 ( -6.063 0.000 1.015) 6.148 12.019 ( -8.300 0.000 -0.179) 8.302 12.064 ( -7.985 0.000 0.390) 7.994 12.502 ( -2.357 0.000 -0.305) 2.376 12.638 ( -5.096 0.000 1.990) 5.470 12.869 ( 4.838 0.000 -0.815) 4.906 12.896 ( 4.218 0.000 0.249) 4.225 13.236 ( -0.461 0.000 0.558) 0.724 13.245 ( -0.342 0.000 -0.492) 0.599 13.529 ( -10.147 0.000 0.185) 10.149 13.598 ( -8.615 0.000 -0.412) 8.625 14.457 ( -3.446 0.000 2.998) 4.568 14.485 ( -0.115 0.000 -0.558) 0.569 14.521 ( -1.527 0.000 -2.440) 2.878 14.680 ( -6.143 0.000 0.375) 6.155 14.773 ( -13.046 0.000 -0.195) 13.048 14.833 ( -12.356 0.000 0.041) 12.356 15.919 ( -17.494 0.000 -0.684) 17.507 15.927 ( -15.950 0.000 0.422) 15.956 16.134 ( 8.216 0.000 -0.806) 8.256 16.181 ( 7.967 0.000 -0.282) 7.972 16.747 ( 21.676 0.000 0.073) 21.676 16.835 ( 16.199 0.000 5.277) 17.037 16.883 ( 11.490 0.000 0.439) 11.499 16.931 ( 19.509 0.000 -3.180) 19.767 17.380 ( -17.125 0.000 -1.622) 17.202 17.384 ( -18.228 0.000 1.798) 18.317 18.274 ( 6.052 0.000 0.725) 6.095 18.290 ( 7.304 0.000 -0.958) 7.367 18.773 ( 3.657 0.000 0.420) 3.681 18.779 ( 6.112 0.000 0.848) 6.170 19.245 ( -0.059 0.000 -0.890) 0.891 19.273 ( 1.779 0.000 1.013) 2.047 19.530 ( 0.509 0.000 -0.343) 0.614 19.564 ( 2.384 0.000 0.372) 2.412 19.874 ( -6.099 0.000 0.289) 6.106 19.912 ( -2.461 0.000 -0.186) 2.468 20.125 ( 1.325 0.000 0.486) 1.411 20.187 ( 5.756 0.000 -0.448) 5.774 20.208 ( -3.295 0.000 -0.431) 3.323 20.234 ( -3.011 0.000 0.010) 3.011 20.426 ( -0.627 0.000 -1.012) 1.190 20.449 ( 1.207 0.000 0.965) 1.546 20.987 ( -4.136 0.000 -1.341) 4.348 21.027 ( 2.460 0.000 0.631) 2.540 21.106 ( -18.156 0.000 1.513) 18.219 21.121 ( -14.107 0.000 -4.017) 14.668 21.666 ( 4.585 0.000 -0.427) 4.605 21.732 ( -0.744 0.000 -0.761) 1.064 21.733 ( -3.460 0.000 0.392) 3.482 21.761 ( 1.099 0.000 0.427) 1.179 21.980 ( -3.995 0.000 -0.003) 3.995 22.029 ( -4.496 0.000 -0.930) 4.591 22.148 ( -10.340 0.000 0.916) 10.381 22.191 ( -10.093 0.000 -0.487) 10.105 23.176 ( -20.944 0.000 -1.143) 20.976 23.201 ( -20.703 0.000 3.358) 20.974 24.198 ( 6.655 0.000 0.909) 6.717 24.316 ( 5.597 0.000 -0.221) 5.601 25.546 ( 21.762 0.000 1.389) 21.806 25.668 ( 21.194 0.000 -1.825) 21.272 26.242 ( 2.366 0.000 0.179) 2.373 26.281 ( 0.927 0.000 -0.811) 1.232 26.454 ( 0.729 0.000 -0.444) 0.853 26.517 ( -2.025 0.000 -0.035) 2.026 26.748 ( 5.469 0.000 -3.485) 6.485 26.801 ( 7.487 0.000 2.470) 7.883 27.048 ( -1.856 0.000 -0.645) 1.965 27.101 ( 1.068 0.000 1.001) 1.464 27.324 ( 5.149 0.000 3.975) 6.505 27.411 ( -2.676 0.000 -10.538) 10.872 28.201 ( 4.872 0.000 0.755) 4.930 28.297 ( 7.328 0.000 0.213) 7.331 28.600 ( 5.698 0.000 -0.173) 5.701 28.624 ( 6.651 0.000 -0.132) 6.653 28.754 ( 13.846 0.000 3.084) 14.186 29.405 ( 1.532 0.000 -34.197) 34.231 29.735 ( 11.066 0.000 -9.871) 14.829 29.738 ( 1.659 0.000 0.286) 1.683 30.643 ( 1.635 0.000 -8.335) 8.494 30.674 ( -3.021 0.000 50.080) 50.171 31.718 ( -11.874 0.000 2.964) 12.239 31.722 ( -12.283 0.000 -0.388) 12.289 31.873 ( -5.352 0.000 1.936) 5.691 32.272 ( -10.735 0.000 17.820) 20.804 32.579 ( 3.307 0.000 -9.917) 10.454 32.848 ( 7.241 0.000 0.994) 7.309 32.850 ( -4.139 0.000 1.420) 4.376 33.220 ( 2.775 0.000 -0.018) 2.775 33.695 ( 0.258 0.000 2.645) 2.657 33.865 ( -4.246 0.000 -4.440) 6.143 34.034 ( 0.404 0.000 2.258) 2.294 34.119 ( -1.202 0.000 -3.777) 3.964 36.766 ( 3.291 0.000 -0.039) 3.291 36.843 ( 4.213 0.000 -0.040) 4.213 37.253 ( 11.549 0.000 1.766) 11.684 37.614 ( 3.619 0.000 -26.404) 26.650 39.320 ( -1.284 0.000 7.666) 7.773 39.344 ( -7.890 0.000 -0.513) 7.906 39.500 ( 2.155 0.000 -4.100) 4.632 39.545 ( -5.227 0.000 48.523) 48.804 39.873 ( 0.828 0.000 4.219) 4.299 39.943 ( -7.054 0.000 -5.918) 9.208 40.348 ( 6.562 0.000 5.500) 8.562 40.572 ( -5.055 0.000 -0.067) 5.056 40.680 ( -2.414 0.000 -2.666) 3.597 40.911 ( 1.395 0.000 -1.764) 2.249 40.966 ( 3.226 0.000 2.929) 4.357 41.762 ( -0.335 0.000 2.600) 2.622 41.982 ( 7.168 0.000 -64.626) 65.022 42.309 ( -15.664 0.000 10.694) 18.966 42.625 ( -3.201 0.000 1.875) 3.710 43.127 ( -3.503 0.000 13.525) 13.971 43.321 ( 1.350 0.000 2.617) 2.945 43.446 ( 7.663 0.000 -2.382) 8.025 43.576 ( 6.112 0.000 14.285) 15.538 44.034 ( 0.083 0.000 -5.462) 5.463 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 23.907 0.000 6.913) 24.887 1.412 ( 21.765 0.000 -5.528) 22.456 1.750 ( 29.027 0.000 -4.140) 29.321 1.978 ( -0.813 0.000 3.312) 3.411 2.261 ( 5.889 0.000 -0.049) 5.889 2.386 ( 14.810 0.000 1.637) 14.900 2.412 ( -1.764 0.000 -0.445) 1.819 2.739 ( -1.348 0.000 -4.871) 5.054 2.743 ( 15.087 0.000 -2.634) 15.315 2.880 ( 8.402 0.000 13.945) 16.281 2.903 ( 4.332 0.000 -4.847) 6.501 3.016 ( 20.338 0.000 0.668) 20.349 3.108 ( 0.726 0.000 0.482) 0.872 3.134 ( -1.808 0.000 -1.532) 2.370 3.153 ( 1.727 0.000 3.588) 3.982 3.196 ( 6.135 0.000 -0.747) 6.181 3.569 ( 3.163 0.000 -1.902) 3.691 3.587 ( -2.639 0.000 -2.316) 3.512 3.597 ( -2.174 0.000 5.628) 6.033 3.692 ( 10.348 0.000 -7.223) 12.620 3.742 ( -1.168 0.000 3.123) 3.334 3.799 ( 0.433 0.000 6.934) 6.947 3.889 ( 2.283 0.000 -1.554) 2.761 3.967 ( 11.686 0.000 -5.680) 12.994 4.094 ( -13.150 0.000 -0.538) 13.161 4.124 ( 2.596 0.000 -0.191) 2.603 4.166 ( 1.305 0.000 -2.740) 3.035 4.225 ( 0.921 0.000 -3.876) 3.984 4.320 ( -2.815 0.000 0.378) 2.840 4.367 ( -1.565 0.000 -1.736) 2.337 4.406 ( -0.651 0.000 -3.518) 3.577 4.420 ( 1.330 0.000 3.999) 4.214 4.518 ( -1.585 0.000 -0.801) 1.775 4.567 ( 0.892 0.000 5.598) 5.669 4.738 ( 1.030 0.000 -1.586) 1.891 4.744 ( 8.419 0.000 -2.398) 8.754 4.818 ( -2.211 0.000 -2.389) 3.255 4.881 ( -7.557 0.000 3.134) 8.181 5.078 ( 3.019 0.000 1.483) 3.363 5.096 ( 4.513 0.000 0.286) 4.522 5.457 ( -5.879 0.000 1.251) 6.011 5.458 ( -1.976 0.000 -1.759) 2.646 5.591 ( -2.731 0.000 -3.316) 4.295 5.656 ( -0.319 0.000 1.402) 1.438 5.752 ( 8.871 0.000 2.162) 9.131 5.782 ( 0.097 0.000 1.267) 1.270 5.957 ( 7.673 0.000 -4.440) 8.865 6.021 ( 24.781 0.000 -2.181) 24.876 6.329 ( 3.951 0.000 3.081) 5.010 6.375 ( 3.307 0.000 4.923) 5.931 6.468 ( 2.270 0.000 1.571) 2.760 6.609 ( -5.785 0.000 -2.980) 6.507 6.849 ( 9.930 0.000 5.412) 11.309 6.919 ( 15.602 0.000 3.584) 16.008 7.074 ( 12.080 0.000 -0.592) 12.095 7.158 ( 16.351 0.000 -4.615) 16.990 7.499 ( -4.169 0.000 0.401) 4.189 7.760 ( -2.516 0.000 -2.779) 3.748 7.936 ( 14.835 0.000 0.194) 14.836 7.938 ( 12.043 0.000 -1.086) 12.092 8.407 ( 10.708 0.000 0.459) 10.717 8.440 ( 9.246 0.000 10.226) 13.786 8.692 ( -3.283 0.000 -9.424) 9.980 8.713 ( -3.597 0.000 -2.114) 4.172 9.471 ( 0.550 0.000 1.166) 1.289 9.518 ( 1.885 0.000 0.437) 1.935 9.598 ( -1.816 0.000 0.149) 1.822 9.650 ( -0.132 0.000 0.333) 0.359 10.235 ( 3.009 0.000 1.692) 3.452 10.254 ( 3.265 0.000 -1.786) 3.721 10.374 ( 1.462 0.000 2.408) 2.817 10.381 ( -1.654 0.000 -2.833) 3.280 11.014 ( 2.111 0.000 -0.826) 2.267 11.031 ( 0.214 0.000 0.150) 0.261 11.459 ( -8.529 0.000 -2.033) 8.768 11.620 ( -11.548 0.000 1.519) 11.647 11.762 ( -14.983 0.000 -1.563) 15.064 11.810 ( -15.466 0.000 1.592) 15.548 12.474 ( 0.436 0.000 -0.790) 0.903 12.537 ( -3.935 0.000 1.888) 4.365 12.984 ( 5.655 0.000 -0.137) 5.657 12.998 ( 4.746 0.000 0.230) 4.752 13.199 ( -11.503 0.000 -1.335) 11.580 13.220 ( -1.483 0.000 1.057) 1.821 13.259 ( -5.988 0.000 0.559) 6.014 13.328 ( -15.309 0.000 -0.289) 15.312 14.378 ( -5.729 0.000 0.314) 5.737 14.440 ( -12.715 0.000 0.718) 12.735 14.449 ( -6.726 0.000 1.305) 6.851 14.479 ( -2.665 0.000 -0.555) 2.722 14.489 ( -8.876 0.000 -1.672) 9.032 14.640 ( -5.549 0.000 0.200) 5.553 15.655 ( -5.388 0.000 -0.559) 5.417 15.688 ( -5.180 0.000 0.486) 5.203 16.151 ( -6.853 0.000 -1.224) 6.961 16.184 ( -8.204 0.000 1.106) 8.278 16.878 ( -11.255 0.000 -1.304) 11.330 16.909 ( -11.396 0.000 1.438) 11.486 17.253 ( 24.105 0.000 -0.266) 24.107 17.363 ( 25.046 0.000 4.220) 25.399 17.443 ( 23.142 0.000 0.488) 23.147 17.465 ( 22.113 0.000 -3.738) 22.427 18.439 ( 8.745 0.000 0.585) 8.765 18.482 ( 9.818 0.000 -0.459) 9.829 18.871 ( 6.347 0.000 0.066) 6.347 18.904 ( 6.166 0.000 -0.099) 6.167 19.206 ( -2.721 0.000 -0.475) 2.762 19.273 ( -1.582 0.000 0.467) 1.650 19.546 ( 0.961 0.000 -0.445) 1.059 19.591 ( -1.599 0.000 0.245) 1.618 19.738 ( -7.415 0.000 1.226) 7.516 19.832 ( -3.510 0.000 -0.463) 3.541 20.075 ( -7.670 0.000 -1.008) 7.736 20.093 ( -7.676 0.000 0.646) 7.703 20.200 ( -0.486 0.000 0.915) 1.036 20.267 ( 1.071 0.000 -0.733) 1.298 20.413 ( -0.547 0.000 -0.253) 0.603 20.477 ( -3.369 0.000 -0.302) 3.383 20.616 ( -16.240 0.000 -0.988) 16.270 20.636 ( -24.585 0.000 0.572) 24.591 21.056 ( 0.939 0.000 -1.026) 1.391 21.094 ( 3.261 0.000 0.692) 3.334 21.577 ( -8.549 0.000 0.765) 8.584 21.620 ( -11.372 0.000 -1.063) 11.422 21.722 ( -0.875 0.000 -0.028) 0.876 21.739 ( -2.504 0.000 0.051) 2.505 21.863 ( -7.070 0.000 -0.660) 7.101 21.883 ( -7.531 0.000 1.439) 7.667 22.017 ( -0.707 0.000 -0.603) 0.930 22.045 ( -2.109 0.000 0.025) 2.109 22.773 ( -12.756 0.000 -0.864) 12.785 22.803 ( -12.919 0.000 0.229) 12.921 24.372 ( 7.083 0.000 1.129) 7.173 24.446 ( 4.417 0.000 -0.979) 4.525 25.944 ( 13.756 0.000 0.177) 13.757 26.032 ( 11.959 0.000 -0.790) 11.985 26.326 ( 0.775 0.000 -0.432) 0.887 26.349 ( 1.268 0.000 0.075) 1.270 26.483 ( 7.120 0.000 0.906) 7.178 26.539 ( 8.019 0.000 -0.469) 8.033 26.873 ( 5.336 0.000 -2.299) 5.810 26.921 ( 3.175 0.000 1.161) 3.380 27.009 ( -1.708 0.000 -0.547) 1.794 27.130 ( 1.250 0.000 1.644) 2.066 27.334 ( -3.954 0.000 -3.526) 5.298 27.410 ( 0.324 0.000 3.910) 3.923 28.316 ( 4.989 0.000 0.929) 5.075 28.406 ( 2.637 0.000 -0.592) 2.702 28.809 ( 12.739 0.000 1.323) 12.808 28.824 ( 11.669 0.000 -1.465) 11.761 29.065 ( 11.577 0.000 5.850) 12.971 29.404 ( 0.755 0.000 -11.320) 11.346 29.868 ( 12.674 0.000 -0.782) 12.698 30.030 ( 16.142 0.000 -6.511) 17.406 30.684 ( 0.770 0.000 18.910) 18.925 30.733 ( 8.014 0.000 -10.496) 13.206 31.379 ( -19.140 0.000 -0.382) 19.144 31.423 ( -15.511 0.000 3.239) 15.846 31.674 ( -13.272 0.000 3.598) 13.751 32.002 ( -13.368 0.000 -0.412) 13.375 32.668 ( 3.931 0.000 -2.036) 4.427 32.783 ( -1.758 0.000 1.024) 2.035 32.986 ( 5.316 0.000 3.853) 6.566 33.277 ( 2.164 0.000 -0.928) 2.355 33.707 ( 0.400 0.000 3.738) 3.759 33.766 ( -3.998 0.000 -3.273) 5.167 34.038 ( -0.099 0.000 1.604) 1.607 34.081 ( -1.806 0.000 -3.069) 3.560 36.855 ( 4.560 0.000 -0.056) 4.561 36.954 ( 5.536 0.000 -0.010) 5.536 37.525 ( 11.771 0.000 3.009) 12.150 37.667 ( 3.083 0.000 -9.887) 10.356 39.144 ( -9.197 0.000 -4.196) 10.109 39.298 ( -1.536 0.000 7.525) 7.680 39.477 ( -4.092 0.000 9.825) 10.643 39.528 ( 0.404 0.000 -2.878) 2.906 39.859 ( -0.497 0.000 -0.739) 0.891 39.907 ( 1.739 0.000 2.516) 3.058 40.442 ( 1.942 0.000 2.870) 3.465 40.457 ( -5.070 0.000 0.406) 5.086 40.611 ( -3.215 0.000 -3.444) 4.711 40.947 ( 1.962 0.000 -2.426) 3.120 41.037 ( 2.758 0.000 1.393) 3.090 41.788 ( 2.247 0.000 6.822) 7.182 42.002 ( -12.877 0.000 10.403) 16.554 42.033 ( 2.552 0.000 -33.583) 33.679 42.532 ( -4.718 0.000 -0.252) 4.725 43.119 ( 1.027 0.000 10.008) 10.061 43.344 ( 0.320 0.000 5.276) 5.286 43.541 ( 1.434 0.000 -2.307) 2.716 43.711 ( 4.742 0.000 6.887) 8.362 44.079 ( 4.435 0.000 -7.488) 8.703 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 15.073 0.000 7.309) 16.752 1.708 ( 7.105 0.000 -2.840) 7.651 1.930 ( -4.831 0.000 -2.987) 5.680 2.212 ( 11.853 0.000 -4.672) 12.740 2.346 ( 0.578 0.000 5.179) 5.211 2.428 ( 3.644 0.000 -0.331) 3.658 2.586 ( 5.043 0.000 0.644) 5.084 2.664 ( -5.164 0.000 -2.954) 5.949 2.877 ( 3.416 0.000 -0.726) 3.492 3.014 ( 4.184 0.000 -5.547) 6.948 3.043 ( -2.602 0.000 -2.358) 3.512 3.083 ( 0.088 0.000 4.742) 4.743 3.107 ( 6.825 0.000 8.869) 11.191 3.205 ( 1.391 0.000 0.374) 1.440 3.250 ( -0.462 0.000 -4.177) 4.203 3.333 ( 9.104 0.000 3.200) 9.651 3.512 ( -5.039 0.000 2.070) 5.448 3.638 ( 1.479 0.000 -2.099) 2.568 3.654 ( 5.349 0.000 3.323) 6.297 3.765 ( -10.620 0.000 -2.395) 10.887 3.798 ( 4.928 0.000 1.374) 5.116 3.810 ( -2.197 0.000 4.903) 5.373 3.960 ( 10.961 0.000 -4.377) 11.802 4.044 ( 9.813 0.000 -0.088) 9.813 4.101 ( 1.010 0.000 0.663) 1.208 4.116 ( 0.251 0.000 -2.558) 2.570 4.147 ( -4.555 0.000 -2.397) 5.148 4.252 ( -5.223 0.000 -2.554) 5.814 4.254 ( 3.638 0.000 -2.516) 4.423 4.336 ( -0.206 0.000 -0.930) 0.953 4.422 ( -0.648 0.000 2.876) 2.948 4.436 ( -5.268 0.000 2.401) 5.789 4.460 ( 5.919 0.000 -5.775) 8.269 4.596 ( 2.599 0.000 7.180) 7.636 4.659 ( -8.521 0.000 2.523) 8.886 4.741 ( -4.874 0.000 -3.895) 6.239 4.777 ( -0.489 0.000 0.070) 0.494 4.886 ( 2.999 0.000 -1.516) 3.360 5.082 ( -4.775 0.000 2.248) 5.278 5.107 ( 0.998 0.000 -3.394) 3.538 5.257 ( -5.513 0.000 -0.982) 5.600 5.288 ( -9.768 0.000 0.219) 9.771 5.558 ( -0.035 0.000 -1.136) 1.136 5.596 ( -0.950 0.000 1.731) 1.975 5.857 ( 3.858 0.000 -2.909) 4.832 5.977 ( 10.925 0.000 0.562) 10.939 6.249 ( 10.092 0.000 0.786) 10.123 6.365 ( -4.639 0.000 5.106) 6.899 6.411 ( 9.065 0.000 -5.523) 10.615 6.448 ( 3.878 0.000 1.706) 4.237 6.492 ( -0.618 0.000 2.041) 2.133 6.511 ( -2.011 0.000 -2.151) 2.945 7.014 ( 2.678 0.000 1.511) 3.075 7.065 ( 3.285 0.000 2.903) 4.384 7.413 ( 7.077 0.000 -2.982) 7.679 7.416 ( 5.329 0.000 6.878) 8.701 7.459 ( 1.727 0.000 -2.227) 2.818 7.679 ( 1.049 0.000 0.123) 1.056 8.254 ( 16.209 0.000 -1.536) 16.281 8.269 ( 11.897 0.000 0.108) 11.898 8.563 ( -7.716 0.000 -7.452) 10.727 8.600 ( -4.710 0.000 1.634) 4.986 8.768 ( 16.289 0.000 -1.002) 16.320 8.901 ( 27.695 0.000 5.460) 28.228 9.468 ( -2.502 0.000 1.967) 3.182 9.472 ( -13.509 0.000 -1.687) 13.614 9.530 ( -2.480 0.000 -0.236) 2.492 9.584 ( -1.507 0.000 -0.524) 1.596 10.285 ( -0.840 0.000 -1.343) 1.584 10.285 ( 1.123 0.000 1.133) 1.596 10.319 ( -1.076 0.000 -0.842) 1.366 10.374 ( -1.204 0.000 1.076) 1.614 11.075 ( 3.745 0.000 0.657) 3.802 11.083 ( 3.050 0.000 -0.733) 3.137 11.318 ( -1.413 0.000 -4.584) 4.797 11.385 ( -7.744 0.000 3.880) 8.662 11.443 ( -12.107 0.000 -4.460) 12.902 11.470 ( -14.290 0.000 4.396) 14.950 12.493 ( -0.391 0.000 1.032) 1.104 12.527 ( 3.725 0.000 -0.914) 3.835 12.894 ( -9.820 0.000 -0.628) 9.841 12.982 ( -10.360 0.000 0.880) 10.397 13.092 ( 3.298 0.000 0.182) 3.303 13.097 ( 1.517 0.000 0.287) 1.543 13.208 ( -0.787 0.000 -0.047) 0.788 13.230 ( -0.561 0.000 -0.136) 0.577 14.157 ( -8.153 0.000 -0.612) 8.176 14.183 ( -7.645 0.000 0.307) 7.651 14.369 ( -1.211 0.000 1.067) 1.614 14.415 ( -1.428 0.000 -0.775) 1.625 14.454 ( -0.695 0.000 -0.164) 0.714 14.564 ( -1.745 0.000 0.079) 1.747 15.686 ( 7.185 0.000 -0.941) 7.247 15.711 ( 6.374 0.000 0.999) 6.452 15.921 ( -11.964 0.000 -1.383) 12.043 15.925 ( -13.261 0.000 1.374) 13.332 16.723 ( -3.088 0.000 -0.433) 3.118 16.760 ( -2.893 0.000 0.454) 2.928 17.676 ( 12.441 0.000 -0.226) 12.443 17.814 ( 12.759 0.000 2.951) 13.096 17.856 ( 11.287 0.000 -2.878) 11.648 17.883 ( 12.551 0.000 0.239) 12.553 18.612 ( 5.853 0.000 0.015) 5.853 18.670 ( 6.360 0.000 0.142) 6.362 19.054 ( 6.989 0.000 -0.124) 6.990 19.061 ( 6.751 0.000 0.233) 6.755 19.200 ( 7.020 0.000 0.591) 7.045 19.273 ( 4.700 0.000 -0.659) 4.746 19.475 ( -9.474 0.000 -1.605) 9.609 19.498 ( -9.394 0.000 2.687) 9.771 19.627 ( -0.176 0.000 -2.020) 2.028 19.768 ( -6.037 0.000 1.843) 6.312 19.876 ( -7.837 0.000 0.027) 7.837 19.887 ( -1.943 0.000 -0.951) 2.163 20.087 ( -18.533 0.000 -0.904) 18.555 20.102 ( -14.378 0.000 -0.115) 14.378 20.198 ( -1.726 0.000 1.222) 2.115 20.315 ( -0.454 0.000 -0.288) 0.538 20.442 ( 0.229 0.000 -0.683) 0.720 20.580 ( 1.219 0.000 0.690) 1.401 21.073 ( 0.470 0.000 -0.439) 0.643 21.150 ( 1.557 0.000 0.231) 1.574 21.365 ( -7.593 0.000 -0.565) 7.614 21.415 ( -4.944 0.000 0.727) 4.997 21.655 ( -2.454 0.000 -0.686) 2.548 21.690 ( -1.382 0.000 0.389) 1.436 21.796 ( -0.461 0.000 0.116) 0.475 21.811 ( -0.879 0.000 0.093) 0.884 22.021 ( 0.319 0.000 -0.259) 0.411 22.041 ( 0.340 0.000 0.097) 0.354 22.626 ( -2.594 0.000 -0.238) 2.605 22.651 ( -2.780 0.000 -0.052) 2.780 24.472 ( 2.235 0.000 0.610) 2.317 24.492 ( 0.695 0.000 -0.510) 0.862 26.124 ( 3.514 0.000 -0.366) 3.533 26.194 ( 3.680 0.000 -0.100) 3.682 26.286 ( -1.508 0.000 -0.032) 1.509 26.324 ( -1.314 0.000 0.260) 1.339 26.734 ( 12.390 0.000 -0.097) 12.390 26.801 ( 11.655 0.000 -0.234) 11.658 26.934 ( -2.109 0.000 -0.992) 2.330 26.961 ( -1.284 0.000 0.627) 1.429 26.966 ( 2.823 0.000 -0.273) 2.836 27.108 ( -5.295 0.000 1.396) 5.476 27.239 ( -3.605 0.000 -0.981) 3.736 27.347 ( -3.809 0.000 1.096) 3.964 28.393 ( 1.845 0.000 0.445) 1.898 28.434 ( 0.509 0.000 -0.327) 0.605 29.061 ( 8.421 0.000 1.465) 8.548 29.063 ( 9.182 0.000 -2.355) 9.479 29.192 ( 0.131 0.000 4.134) 4.136 29.390 ( -1.252 0.000 -4.089) 4.276 30.261 ( 20.055 0.000 0.012) 20.055 30.312 ( 8.053 0.000 -1.076) 8.124 30.798 ( 9.661 0.000 3.569) 10.299 30.910 ( -2.405 0.000 -8.173) 8.519 30.965 ( -7.182 0.000 1.026) 7.255 31.086 ( -15.813 0.000 2.295) 15.979 31.372 ( -12.868 0.000 3.995) 13.474 31.771 ( -6.601 0.000 -1.124) 6.696 32.721 ( 1.204 0.000 -0.664) 1.375 32.770 ( 0.004 0.000 0.359) 0.359 33.073 ( 2.166 0.000 1.650) 2.723 33.305 ( 0.619 0.000 -0.743) 0.967 33.702 ( -1.552 0.000 -1.057) 1.877 33.718 ( 0.218 0.000 1.886) 1.899 34.038 ( -0.018 0.000 0.596) 0.597 34.046 ( -0.905 0.000 -1.427) 1.690 36.934 ( 2.200 0.000 -0.024) 2.200 37.048 ( 2.571 0.000 0.015) 2.571 37.708 ( 4.466 0.000 1.540) 4.724 37.708 ( 1.247 0.000 -2.803) 3.068 38.994 ( -3.747 0.000 -2.132) 4.311 39.280 ( -0.591 0.000 2.734) 2.797 39.415 ( -1.871 0.000 1.595) 2.459 39.517 ( -0.624 0.000 -0.693) 0.932 39.881 ( 1.308 0.000 0.138) 1.315 39.941 ( 1.020 0.000 0.532) 1.151 40.377 ( -2.161 0.000 0.325) 2.185 40.460 ( 0.062 0.000 1.768) 1.770 40.554 ( -1.429 0.000 -2.460) 2.845 40.978 ( 0.913 0.000 -1.154) 1.472 41.079 ( 0.996 0.000 0.408) 1.076 41.819 ( -4.753 0.000 4.144) 6.306 41.863 ( 3.161 0.000 8.583) 9.146 42.003 ( -1.773 0.000 -17.139) 17.230 42.460 ( -1.746 0.000 0.717) 1.887 43.159 ( 1.192 0.000 3.020) 3.247 43.345 ( -0.425 0.000 2.703) 2.736 43.550 ( 0.253 0.000 -1.451) 1.473 43.785 ( 1.601 0.000 2.448) 2.925 44.154 ( 2.255 0.000 -3.018) 3.767 ======================= Grid point 7 (5/60) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( 0.000 20.660 0.000) 20.660 0.544 ( 0.000 25.125 0.000) 25.125 0.734 ( 0.000 33.242 0.000) 33.242 1.459 ( 0.000 22.215 0.000) 22.215 1.972 ( 0.000 1.270 0.000) 1.270 2.040 ( 0.000 1.391 0.000) 1.391 2.105 ( 0.000 -9.962 0.000) 9.962 2.352 ( 0.000 -15.079 0.000) 15.079 2.379 ( 0.000 -4.832 0.000) 4.832 2.716 ( 0.000 -8.958 0.000) 8.958 2.773 ( 0.000 -4.131 0.000) 4.131 2.880 ( 0.000 6.738 0.000) 6.738 3.015 ( 0.000 2.368 0.000) 2.368 3.089 ( 0.000 1.915 0.000) 1.915 3.159 ( 0.000 11.446 0.000) 11.446 3.264 ( 0.000 -2.245 0.000) 2.245 3.327 ( 0.000 6.124 0.000) 6.124 3.403 ( 0.000 -2.375 0.000) 2.375 3.543 ( 0.000 3.727 0.000) 3.727 3.616 ( 0.000 -3.406 0.000) 3.406 3.661 ( 0.000 -4.591 0.000) 4.591 3.733 ( 0.000 -4.630 0.000) 4.630 3.781 ( 0.000 -0.555 0.000) 0.555 3.908 ( 0.000 -7.945 0.000) 7.945 3.972 ( 0.000 -1.270 0.000) 1.270 4.054 ( 0.000 -8.135 0.000) 8.135 4.097 ( 0.000 1.180 0.000) 1.180 4.249 ( 0.000 -0.743 0.000) 0.743 4.315 ( 0.000 -0.753 0.000) 0.753 4.413 ( 0.000 1.526 0.000) 1.526 4.414 ( 0.000 -0.090 0.000) 0.090 4.460 ( 0.000 -2.177 0.000) 2.177 4.469 ( 0.000 -1.411 0.000) 1.411 4.578 ( 0.000 5.560 0.000) 5.560 4.598 ( 0.000 -4.512 0.000) 4.512 4.636 ( 0.000 0.952 0.000) 0.952 4.652 ( 0.000 4.686 0.000) 4.686 4.885 ( 0.000 -3.845 0.000) 3.845 4.930 ( 0.000 -2.646 0.000) 2.646 5.067 ( 0.000 -2.166 0.000) 2.166 5.339 ( 0.000 2.959 0.000) 2.959 5.371 ( 0.000 3.778 0.000) 3.778 5.557 ( 0.000 8.197 0.000) 8.197 5.605 ( 0.000 6.241 0.000) 6.241 5.667 ( 0.000 3.787 0.000) 3.787 5.683 ( 0.000 0.494 0.000) 0.494 5.799 ( 0.000 -0.184 0.000) 0.184 5.876 ( 0.000 -0.696 0.000) 0.696 6.440 ( 0.000 3.542 0.000) 3.542 6.472 ( 0.000 0.664 0.000) 0.664 6.509 ( 0.000 0.721 0.000) 0.721 6.589 ( 0.000 -0.590 0.000) 0.590 6.681 ( 0.000 -1.270 0.000) 1.270 6.829 ( 0.000 -0.092 0.000) 0.092 6.862 ( 0.000 5.246 0.000) 5.246 6.993 ( 0.000 -0.983 0.000) 0.983 7.280 ( 0.000 4.284 0.000) 4.284 7.504 ( 0.000 2.601 0.000) 2.601 7.796 ( 0.000 -3.899 0.000) 3.899 7.944 ( 0.000 -3.418 0.000) 3.418 8.353 ( 0.000 -2.002 0.000) 2.002 8.485 ( 0.000 1.869 0.000) 1.869 8.676 ( 0.000 -5.781 0.000) 5.781 8.766 ( 0.000 -4.946 0.000) 4.946 9.494 ( 0.000 0.195 0.000) 0.195 9.522 ( 0.000 1.720 0.000) 1.720 9.536 ( 0.000 -0.044 0.000) 0.044 9.544 ( 0.000 -0.626 0.000) 0.626 10.151 ( 0.000 0.058 0.000) 0.058 10.191 ( 0.000 1.171 0.000) 1.171 10.284 ( 0.000 -0.754 0.000) 0.754 10.307 ( 0.000 -2.048 0.000) 2.048 11.090 ( 0.000 7.841 0.000) 7.841 11.151 ( 0.000 9.298 0.000) 9.298 11.670 ( 0.000 -0.604 0.000) 0.604 11.840 ( 0.000 -1.294 0.000) 1.294 12.079 ( 0.000 -2.206 0.000) 2.206 12.144 ( 0.000 -0.067 0.000) 0.067 12.512 ( 0.000 -2.708 0.000) 2.708 12.681 ( 0.000 -3.270 0.000) 3.270 12.769 ( 0.000 -2.491 0.000) 2.491 12.813 ( 0.000 -1.993 0.000) 1.993 13.113 ( 0.000 -10.688 0.000) 10.688 13.117 ( 0.000 -11.329 0.000) 11.329 13.816 ( 0.000 13.386 0.000) 13.386 13.833 ( 0.000 12.313 0.000) 12.313 14.472 ( 0.000 -0.515 0.000) 0.515 14.489 ( 0.000 -2.664 0.000) 2.664 14.518 ( 0.000 0.774 0.000) 0.774 14.744 ( 0.000 0.230 0.000) 0.230 14.906 ( 0.000 -3.554 0.000) 3.554 14.986 ( 0.000 -1.913 0.000) 1.913 15.990 ( 0.000 0.727 0.000) 0.727 16.015 ( 0.000 1.485 0.000) 1.485 16.227 ( 0.000 -4.685 0.000) 4.685 16.313 ( 0.000 -3.999 0.000) 3.999 16.377 ( 0.000 5.867 0.000) 5.867 16.398 ( 0.000 6.933 0.000) 6.933 16.827 ( 0.000 6.942 0.000) 6.942 16.887 ( 0.000 7.234 0.000) 7.234 17.677 ( 0.000 5.172 0.000) 5.172 17.695 ( 0.000 5.186 0.000) 5.186 18.180 ( 0.000 -2.179 0.000) 2.179 18.197 ( 0.000 -1.988 0.000) 1.988 18.614 ( 0.000 -2.621 0.000) 2.621 18.682 ( 0.000 -3.273 0.000) 3.273 19.172 ( 0.000 -6.767 0.000) 6.767 19.210 ( 0.000 -4.639 0.000) 4.639 19.538 ( 0.000 0.064 0.000) 0.064 19.541 ( 0.000 1.233 0.000) 1.233 19.892 ( 0.000 -2.983 0.000) 2.983 19.958 ( 0.000 -4.169 0.000) 4.169 20.041 ( 0.000 0.373 0.000) 0.373 20.129 ( 0.000 0.064 0.000) 0.064 20.211 ( 0.000 -3.268 0.000) 3.268 20.222 ( 0.000 -4.395 0.000) 4.395 20.430 ( 0.000 1.120 0.000) 1.120 20.627 ( 0.000 -3.223 0.000) 3.223 21.023 ( 0.000 2.113 0.000) 2.113 21.045 ( 0.000 3.163 0.000) 3.163 21.385 ( 0.000 3.894 0.000) 3.894 21.443 ( 0.000 5.314 0.000) 5.314 21.552 ( 0.000 0.199 0.000) 0.199 21.595 ( 0.000 -0.084 0.000) 0.084 21.765 ( 0.000 1.245 0.000) 1.245 21.861 ( 0.000 0.274 0.000) 0.274 22.014 ( 0.000 -1.119 0.000) 1.119 22.062 ( 0.000 -0.221 0.000) 0.221 22.310 ( 0.000 1.463 0.000) 1.463 22.420 ( 0.000 0.550 0.000) 0.550 23.108 ( 0.000 -19.098 0.000) 19.098 23.160 ( 0.000 -18.075 0.000) 18.075 24.433 ( 0.000 19.339 0.000) 19.339 24.545 ( 0.000 18.275 0.000) 18.275 25.241 ( 0.000 0.950 0.000) 0.950 25.339 ( 0.000 -1.505 0.000) 1.505 26.226 ( 0.000 -0.914 0.000) 0.914 26.340 ( 0.000 -1.968 0.000) 1.968 26.365 ( 0.000 -3.213 0.000) 3.213 26.512 ( 0.000 -3.613 0.000) 3.613 26.751 ( 0.000 4.755 0.000) 4.755 26.950 ( 0.000 1.993 0.000) 1.993 26.983 ( 0.000 -2.117 0.000) 2.117 27.078 ( 0.000 -0.320 0.000) 0.320 27.302 ( 0.000 7.661 0.000) 7.661 27.400 ( 0.000 11.753 0.000) 11.753 28.170 ( 0.000 -2.825 0.000) 2.825 28.316 ( 0.000 -1.401 0.000) 1.401 28.573 ( 0.000 0.250 0.000) 0.250 28.578 ( 0.000 2.819 0.000) 2.819 28.613 ( 0.000 2.090 0.000) 2.090 29.465 ( 0.000 -12.974 0.000) 12.974 29.705 ( 0.000 -1.278 0.000) 1.278 30.075 ( 0.000 -0.288 0.000) 0.288 30.427 ( 0.000 -0.610 0.000) 0.610 30.526 ( 0.000 -9.437 0.000) 9.437 31.858 ( 0.000 -0.496 0.000) 0.496 31.862 ( 0.000 -0.868 0.000) 0.868 31.905 ( 0.000 -0.411 0.000) 0.411 31.921 ( 0.000 -0.371 0.000) 0.371 32.505 ( 0.000 1.844 0.000) 1.844 32.636 ( 0.000 0.366 0.000) 0.366 32.898 ( 0.000 -0.310 0.000) 0.310 33.153 ( 0.000 -3.686 0.000) 3.686 33.697 ( 0.000 0.969 0.000) 0.969 33.999 ( 0.000 -1.849 0.000) 1.849 34.143 ( 0.000 5.731 0.000) 5.731 34.202 ( 0.000 2.252 0.000) 2.252 36.737 ( 0.000 0.674 0.000) 0.674 36.794 ( 0.000 -0.177 0.000) 0.177 37.023 ( 0.000 1.040 0.000) 1.040 37.183 ( 0.000 -1.339 0.000) 1.339 39.015 ( 0.000 1.183 0.000) 1.183 39.317 ( 0.000 -1.595 0.000) 1.595 39.478 ( 0.000 2.966 0.000) 2.966 39.542 ( 0.000 0.796 0.000) 0.796 39.910 ( 0.000 4.433 0.000) 4.433 40.190 ( 0.000 0.640 0.000) 0.640 40.438 ( 0.000 -0.896 0.000) 0.896 40.575 ( 0.000 -1.920 0.000) 1.920 40.650 ( 0.000 0.729 0.000) 0.729 40.685 ( 0.000 -1.650 0.000) 1.650 40.970 ( 0.000 3.347 0.000) 3.347 41.278 ( 0.000 0.486 0.000) 0.486 41.794 ( 0.000 2.126 0.000) 2.126 42.203 ( 0.000 -1.860 0.000) 1.860 42.627 ( 0.000 2.829 0.000) 2.829 43.080 ( 0.000 -9.312 0.000) 9.312 43.149 ( 0.000 -3.286 0.000) 3.286 43.280 ( 0.000 -3.199 0.000) 3.199 43.337 ( 0.000 -0.585 0.000) 0.585 43.899 ( 0.000 -15.747 0.000) 15.747 ======================= Grid point 8 (6/60) ======================= q-point: ( 0.14 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 19.673 15.815 2.479) 25.363 0.901 ( 33.233 11.254 -2.687) 35.190 1.433 ( 18.721 20.328 -7.303) 28.584 1.735 ( 43.404 8.851 -2.527) 44.369 2.045 ( 7.037 3.352 1.830) 8.007 2.077 ( 3.554 -0.694 1.919) 4.098 2.309 ( 2.524 -8.638 4.895) 10.244 2.387 ( 8.387 -7.688 -2.863) 11.732 2.600 ( 14.827 -1.013 0.417) 14.868 2.637 ( 4.713 -2.464 -0.299) 5.326 2.790 ( 3.765 -6.196 0.338) 7.258 2.858 ( -1.406 1.934 1.099) 2.631 2.968 ( -0.178 2.628 -1.303) 2.939 3.111 ( 0.266 -0.056 2.904) 2.917 3.196 ( 2.282 4.731 -0.677) 5.296 3.262 ( -1.846 2.565 0.668) 3.230 3.433 ( 2.123 -4.081 -4.284) 6.286 3.542 ( 2.222 0.963 -2.026) 3.158 3.562 ( 6.352 0.270 3.027) 7.042 3.623 ( 4.273 -4.640 -2.788) 6.897 3.651 ( -0.334 -2.633 1.937) 3.286 3.765 ( 2.226 -0.252 0.538) 2.304 3.857 ( 6.720 -1.399 -0.829) 6.914 3.902 ( -3.221 1.162 3.081) 4.606 3.950 ( 0.010 -5.375 -0.920) 5.453 4.129 ( 6.605 -6.202 1.123) 9.130 4.166 ( 3.624 -2.114 3.905) 5.732 4.258 ( -2.521 -3.261 -1.172) 4.285 4.316 ( 2.674 -2.522 -1.411) 3.937 4.368 ( -2.882 1.360 -3.959) 5.082 4.416 ( -2.389 4.296 0.320) 4.926 4.478 ( 0.620 -0.543 0.140) 0.836 4.491 ( 1.264 -1.775 1.356) 2.566 4.514 ( 1.010 1.445 -2.178) 2.803 4.636 ( 8.843 1.475 -5.880) 10.722 4.664 ( 2.231 0.401 2.621) 3.465 4.742 ( 3.857 -1.362 -0.642) 4.140 4.852 ( -1.207 -1.775 -2.283) 3.134 4.968 ( 4.505 0.904 -0.264) 4.602 5.103 ( -0.611 -0.185 3.648) 3.704 5.350 ( 4.126 -0.251 0.438) 4.157 5.498 ( 7.329 2.284 0.519) 7.695 5.581 ( -1.721 4.318 3.253) 5.674 5.656 ( 7.741 7.355 4.923) 11.758 5.715 ( -1.893 0.526 -1.303) 2.357 5.726 ( 6.280 7.365 -1.334) 9.770 5.824 ( 0.950 -1.994 5.058) 5.519 5.895 ( 6.733 1.582 -2.906) 7.501 6.415 ( -3.491 2.264 1.503) 4.424 6.469 ( -1.776 0.293 -4.049) 4.432 6.530 ( 0.811 1.070 1.996) 2.405 6.572 ( -0.950 9.621 -3.723) 10.360 6.701 ( 7.084 -0.120 -3.523) 7.912 6.763 ( 2.176 2.659 -4.143) 5.383 6.883 ( 1.152 1.269 6.924) 7.133 7.027 ( 0.988 3.495 1.993) 4.143 7.412 ( 9.912 0.631 -4.260) 10.807 7.506 ( 9.787 0.367 -3.712) 10.473 7.774 ( -2.674 -5.543 2.800) 6.761 7.897 ( -4.213 -3.657 -0.208) 5.583 8.334 ( -1.045 -0.695 1.884) 2.264 8.429 ( -4.105 1.930 6.489) 7.917 8.673 ( 0.589 -5.016 -4.176) 6.553 8.747 ( -1.649 -3.618 -2.325) 4.606 9.474 ( -1.491 0.479 -0.073) 1.568 9.488 ( 0.198 0.526 0.815) 0.990 9.569 ( 1.487 -1.464 -0.412) 2.127 9.612 ( 3.241 0.100 0.395) 3.266 10.177 ( 2.428 0.412 0.747) 2.574 10.207 ( 1.791 1.008 -0.693) 2.169 10.310 ( 2.313 -0.862 1.813) 3.063 10.350 ( 3.526 -1.254 -2.065) 4.274 11.083 ( -0.593 7.689 0.297) 7.718 11.140 ( -0.963 9.072 -0.233) 9.126 11.618 ( -4.876 -0.039 -1.109) 5.001 11.788 ( -5.431 -1.686 0.912) 5.759 11.993 ( -7.960 -1.951 -0.166) 8.198 12.062 ( -7.805 0.027 0.079) 7.805 12.476 ( -2.602 -2.837 -0.255) 3.858 12.612 ( -4.746 -2.913 1.505) 5.769 12.831 ( 3.969 -3.321 0.287) 5.184 12.856 ( 3.448 -2.354 -0.794) 4.250 13.109 ( -0.431 -10.551 0.220) 10.562 13.114 ( -0.251 -11.271 -0.116) 11.274 13.697 ( -10.193 13.750 0.067) 17.117 13.740 ( -8.668 12.218 -0.228) 14.982 14.447 ( -3.038 -0.851 2.179) 3.834 14.474 ( -0.921 -2.355 -0.346) 2.552 14.507 ( -1.299 0.091 -1.456) 1.953 14.671 ( -6.960 -0.816 0.156) 7.009 14.752 ( -12.026 -2.116 -0.333) 12.215 14.816 ( -12.015 -1.632 -0.037) 12.125 15.952 ( -14.944 3.765 -0.829) 15.433 15.998 ( -16.052 4.987 0.446) 16.814 16.143 ( 7.584 0.784 -0.806) 7.667 16.177 ( 7.286 -0.051 0.313) 7.293 16.656 ( 18.467 -3.183 -0.252) 18.741 16.709 ( 18.717 -5.326 1.017) 19.486 16.984 ( 12.435 4.611 0.927) 13.294 17.057 ( 14.307 3.503 -0.410) 14.735 17.454 ( -14.830 8.702 -1.015) 17.224 17.467 ( -14.878 9.011 0.946) 17.420 18.259 ( 6.540 -1.513 0.254) 6.717 18.279 ( 7.222 -1.359 -0.366) 7.358 18.689 ( 3.819 -5.131 0.778) 6.443 18.741 ( 4.385 -4.035 -0.462) 5.977 19.214 ( 2.240 -4.922 0.268) 5.414 19.243 ( 1.660 -3.951 -0.042) 4.286 19.544 ( 0.709 1.316 0.163) 1.504 19.564 ( 1.860 -0.382 -0.210) 1.910 19.860 ( -2.965 -3.435 -0.402) 4.556 19.866 ( -4.206 -0.260 0.180) 4.217 20.131 ( 0.403 -0.252 0.391) 0.615 20.153 ( 4.369 -1.988 -0.252) 4.806 20.183 ( -2.418 -2.308 -0.227) 3.351 20.214 ( -0.048 -2.483 -0.108) 2.486 20.429 ( -0.075 0.674 0.174) 0.700 20.501 ( -5.567 2.404 0.098) 6.064 21.037 ( 0.352 2.483 -0.477) 2.553 21.050 ( 1.202 1.388 0.365) 1.872 21.139 ( -17.975 5.636 -1.987) 18.942 21.194 ( -16.097 6.003 0.482) 17.187 21.647 ( 2.700 -1.611 -0.270) 3.156 21.693 ( 1.591 -2.058 -0.032) 2.601 21.750 ( -1.778 1.988 0.072) 2.668 21.814 ( -2.954 2.055 -0.123) 3.601 21.978 ( -3.769 -0.267 -0.001) 3.779 22.029 ( -3.744 -0.079 -0.643) 3.800 22.153 ( -11.014 0.577 1.067) 11.081 22.203 ( -12.114 0.664 -1.068) 12.179 22.899 ( -20.915 -20.133 -0.982) 29.047 22.929 ( -18.493 -20.874 3.948) 28.165 24.474 ( 6.011 20.793 0.160) 21.645 24.578 ( 5.442 19.906 -0.214) 20.638 25.543 ( 21.045 -0.688 0.202) 21.057 25.649 ( 21.268 -2.526 -1.200) 21.451 26.216 ( 1.161 -0.863 -0.979) 1.747 26.271 ( -0.285 -0.573 -0.378) 0.743 26.441 ( 4.599 -1.589 0.895) 4.948 26.562 ( 0.527 -0.200 0.852) 1.022 26.779 ( 4.132 1.724 1.152) 4.623 26.850 ( -1.235 5.310 -1.092) 5.560 27.037 ( -0.512 -0.853 -1.585) 1.871 27.100 ( 1.673 -0.252 1.269) 2.115 27.419 ( 4.285 3.767 -4.539) 7.290 27.444 ( 3.335 10.065 2.278) 10.845 28.194 ( 1.843 -2.345 -2.107) 3.651 28.294 ( 3.988 -0.948 1.529) 4.375 28.624 ( 5.033 2.626 -0.910) 5.750 28.682 ( 8.293 3.039 1.323) 8.931 28.764 ( 12.643 1.213 2.949) 13.039 29.390 ( -1.694 -5.353 -16.916) 17.824 29.727 ( 2.879 -0.269 -0.063) 2.892 29.892 ( 4.472 11.876 -18.349) 22.310 30.542 ( 3.115 -8.583 -6.510) 11.214 30.639 ( 1.854 -3.553 37.626) 37.839 31.711 ( -11.896 -0.568 2.105) 12.094 31.723 ( -11.495 0.221 0.266) 11.500 31.860 ( -5.726 -1.235 1.727) 6.106 32.042 ( -3.072 -15.178 1.518) 15.560 32.570 ( 4.888 0.853 -2.580) 5.592 32.767 ( 7.463 -2.362 0.665) 7.856 32.884 ( -0.492 0.399 1.771) 1.881 33.167 ( 1.761 -4.523 0.401) 4.870 33.694 ( -0.408 0.235 2.755) 2.795 33.925 ( -6.244 1.122 -4.812) 7.962 34.051 ( -3.152 3.797 1.418) 5.134 34.167 ( -2.630 2.833 -0.009) 3.866 36.780 ( 3.744 1.248 -0.067) 3.947 36.863 ( 4.846 1.626 0.055) 5.112 37.194 ( 11.316 -5.016 -0.121) 12.379 37.449 ( 11.779 -10.079 -12.037) 19.627 39.205 ( 0.455 -7.553 17.229) 18.818 39.309 ( -1.138 -5.471 5.570) 7.890 39.431 ( -1.070 3.591 -0.017) 3.747 39.601 ( 2.322 0.659 5.057) 5.604 39.920 ( 0.990 4.956 -0.111) 5.055 40.080 ( -7.899 8.664 0.612) 11.740 40.325 ( 3.287 -1.376 3.348) 4.890 40.595 ( -4.190 1.500 1.877) 4.830 40.652 ( -1.466 -2.257 -2.600) 3.743 40.867 ( 6.208 -4.103 -5.756) 9.408 40.995 ( 2.310 2.537 2.585) 4.296 41.613 ( 19.023 -22.566 -25.631) 39.090 41.774 ( -0.504 1.395 -1.674) 2.237 42.192 ( -5.226 -5.439 -1.582) 7.707 42.533 ( -6.431 0.228 6.793) 9.357 43.044 ( 1.268 -4.342 8.981) 10.056 43.251 ( 0.516 -6.931 2.517) 7.392 43.395 ( 7.092 -3.890 -2.764) 8.548 43.437 ( 10.424 -6.433 5.154) 13.290 43.928 ( 3.230 -10.752 -3.916) 11.890 ======================= Grid point 9 (7/60) ======================= q-point: ( 0.29 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 21.652 8.291 5.134) 23.746 1.593 ( 25.202 12.007 0.259) 27.918 1.761 ( 16.889 5.184 -3.741) 18.059 2.081 ( 3.505 3.443 -2.611) 5.564 2.202 ( 5.326 -2.109 -2.315) 6.178 2.369 ( 6.115 -0.569 6.829) 9.184 2.427 ( 9.669 2.504 -3.450) 10.567 2.634 ( 3.119 -7.909 -3.626) 9.242 2.748 ( 3.048 -0.931 2.646) 4.142 2.795 ( 11.386 -5.253 -3.794) 13.101 2.880 ( 3.649 -3.019 2.176) 5.212 2.973 ( 8.435 0.651 8.019) 11.656 3.074 ( -1.344 -2.778 3.345) 4.551 3.122 ( 8.894 -2.171 -2.225) 9.422 3.236 ( 3.929 1.309 0.958) 4.251 3.300 ( 4.974 7.720 -4.991) 10.452 3.466 ( 4.420 -6.817 -1.234) 8.218 3.533 ( -1.455 -3.424 -0.112) 3.722 3.588 ( 1.032 -1.178 1.713) 2.321 3.680 ( 6.178 -0.276 -1.728) 6.421 3.765 ( 0.850 -1.686 2.876) 3.441 3.822 ( 1.481 4.937 2.280) 5.636 3.854 ( 3.766 -2.127 -0.652) 4.374 3.960 ( -3.952 -7.381 -1.157) 8.452 4.008 ( 5.287 2.787 -3.533) 6.943 4.103 ( 0.856 -1.700 2.778) 3.368 4.192 ( -1.062 -1.074 -1.533) 2.152 4.300 ( -2.480 -1.558 0.826) 3.043 4.309 ( -1.615 -1.123 1.103) 2.255 4.345 ( -1.100 1.139 -2.626) 3.066 4.358 ( 0.514 0.085 -2.287) 2.345 4.473 ( -0.124 2.303 -2.030) 3.072 4.540 ( 0.567 1.480 0.940) 1.843 4.573 ( 3.909 -0.530 2.988) 4.949 4.684 ( 0.457 -3.433 2.390) 4.208 4.762 ( 0.457 0.168 -2.764) 2.806 4.822 ( 0.085 1.360 -2.613) 2.947 4.857 ( 3.013 0.082 -2.816) 4.125 5.099 ( 3.508 0.313 2.206) 4.155 5.126 ( 3.498 2.681 -0.290) 4.417 5.374 ( -4.633 -1.568 -0.216) 4.896 5.488 ( -1.825 -0.525 2.250) 2.944 5.609 ( -8.769 0.283 -2.870) 9.231 5.706 ( -7.770 -0.862 1.851) 8.034 5.756 ( 13.782 4.130 1.260) 14.443 5.832 ( 3.853 5.538 -1.138) 6.842 5.987 ( 10.968 2.266 -3.222) 11.654 6.110 ( 18.117 6.551 -0.874) 19.285 6.387 ( -0.096 3.382 2.882) 4.444 6.448 ( 5.345 5.708 4.012) 8.789 6.536 ( 0.211 8.038 0.323) 8.047 6.665 ( -3.038 4.859 0.075) 5.731 6.777 ( 11.512 -3.543 1.438) 12.130 6.992 ( 10.644 3.918 3.787) 11.958 7.086 ( 13.329 1.068 -0.801) 13.395 7.176 ( 18.138 1.482 -3.373) 18.508 7.458 ( -3.773 -3.358 -0.653) 5.093 7.739 ( -2.337 -1.982 -2.278) 3.819 7.873 ( 12.389 -5.576 -0.015) 13.586 7.884 ( 15.927 -4.963 -0.899) 16.707 8.389 ( 7.845 -1.017 1.873) 8.130 8.452 ( 7.833 0.743 8.172) 11.344 8.658 ( -1.667 -2.984 -7.488) 8.231 8.691 ( -2.998 -2.264 -2.136) 4.321 9.458 ( -0.162 -0.825 0.935) 1.257 9.511 ( 1.316 -0.391 0.779) 1.578 9.570 ( -1.575 -2.264 0.236) 2.768 9.640 ( -1.488 -1.127 -0.224) 1.881 10.244 ( 2.891 0.834 1.669) 3.441 10.264 ( 3.385 1.085 -1.698) 3.939 10.363 ( 1.599 -0.315 1.470) 2.195 10.413 ( 1.920 1.115 -1.860) 2.896 11.080 ( 0.857 6.623 0.129) 6.680 11.115 ( -1.097 7.880 -0.570) 7.976 11.473 ( -7.881 1.161 -1.777) 8.162 11.610 ( -11.073 -0.895 1.681) 11.236 11.751 ( -13.908 -0.733 -1.636) 14.023 11.811 ( -15.397 0.285 1.290) 15.453 12.437 ( -0.373 -4.038 -0.841) 4.141 12.512 ( -4.385 -3.212 1.755) 5.712 12.903 ( 1.683 -5.328 0.205) 5.592 12.928 ( 2.391 -4.009 -0.421) 4.687 13.092 ( -1.225 -10.267 0.555) 10.355 13.106 ( -0.401 -10.330 -0.411) 10.346 13.420 ( -13.674 14.167 -0.127) 19.690 13.484 ( -13.579 12.629 0.190) 18.545 14.359 ( -7.606 -2.213 -0.276) 7.926 14.389 ( -10.241 -4.089 0.563) 11.042 14.444 ( -9.077 -0.933 1.989) 9.339 14.466 ( -3.482 -0.526 -0.642) 3.580 14.507 ( -6.118 0.989 -1.652) 6.414 14.630 ( -5.330 -0.955 0.097) 5.416 15.706 ( -5.859 4.760 -0.674) 7.579 15.740 ( -6.462 4.631 0.608) 7.973 16.144 ( -7.516 -0.923 -0.830) 7.618 16.173 ( -8.240 -1.113 0.759) 8.350 16.929 ( -2.026 3.304 -0.699) 3.939 16.974 ( -3.904 5.757 0.930) 7.018 17.266 ( 17.100 0.088 -0.549) 17.109 17.287 ( 22.047 -5.126 1.591) 22.691 17.491 ( 19.853 7.640 -0.191) 21.273 17.565 ( 20.068 6.655 -0.615) 21.152 18.424 ( 8.156 -1.964 -0.184) 8.391 18.455 ( 8.270 -3.139 0.433) 8.856 18.782 ( 5.976 -5.646 0.052) 8.221 18.838 ( 5.302 -4.886 -0.295) 7.216 19.220 ( -0.953 -1.283 0.120) 1.602 19.244 ( -1.056 -4.387 -0.039) 4.512 19.559 ( 0.570 1.037 0.162) 1.194 19.596 ( 0.048 0.430 0.111) 0.447 19.741 ( -6.822 0.691 -0.620) 6.885 19.825 ( -0.570 1.244 0.431) 1.435 20.055 ( -7.659 -1.281 -0.670) 7.794 20.109 ( -5.585 0.743 0.686) 5.676 20.193 ( -0.136 -0.919 0.238) 0.959 20.245 ( 0.336 -1.783 -0.262) 1.834 20.415 ( -1.279 1.134 1.240) 2.112 20.425 ( -5.384 -1.908 -0.316) 5.721 20.681 ( -21.009 5.571 -2.449) 21.872 20.754 ( -19.663 7.423 0.770) 21.032 21.063 ( 1.259 0.782 -0.565) 1.587 21.112 ( 2.571 1.702 0.568) 3.135 21.574 ( -10.295 -1.183 0.111) 10.364 21.596 ( -10.210 -2.740 -0.035) 10.571 21.723 ( -4.097 0.218 -0.789) 4.178 21.734 ( -1.224 -0.492 0.427) 1.386 21.844 ( -8.706 -1.974 -0.806) 8.963 21.866 ( -8.651 -1.813 1.481) 8.962 22.016 ( -1.046 0.070 -0.685) 1.253 22.052 ( -1.498 0.561 0.193) 1.611 22.513 ( -11.006 -19.032 -0.895) 22.003 22.572 ( -11.231 -18.149 0.891) 21.361 24.625 ( 6.160 20.300 0.756) 21.227 24.702 ( 4.433 20.447 -0.762) 20.936 25.928 ( 13.157 -2.530 -0.460) 13.406 26.030 ( 12.944 -2.620 -0.248) 13.209 26.287 ( 3.721 -0.706 -0.606) 3.835 26.333 ( 3.320 0.273 0.493) 3.367 26.524 ( 4.885 2.707 0.581) 5.615 26.608 ( 5.998 2.945 0.146) 6.684 26.854 ( 1.869 -2.665 -0.184) 3.260 26.883 ( 3.880 0.332 -0.733) 3.962 27.006 ( -1.906 -0.332 -1.254) 2.305 27.135 ( 0.915 -0.138 1.842) 2.062 27.439 ( -1.193 8.608 -1.568) 8.831 27.498 ( -0.015 8.480 2.258) 8.775 28.259 ( 3.536 -4.716 -1.088) 5.994 28.398 ( 3.778 -1.863 0.895) 4.307 28.811 ( 12.101 1.724 -0.512) 12.234 28.892 ( 10.641 4.386 0.339) 11.514 29.050 ( 10.780 -1.443 5.233) 12.070 29.381 ( 1.177 -2.665 -8.567) 9.049 29.891 ( 13.997 2.591 -0.626) 14.249 30.107 ( 14.517 6.701 -7.574) 17.692 30.660 ( 7.635 -5.030 -2.706) 9.535 30.697 ( 3.291 -0.642 10.945) 11.447 31.381 ( -18.804 0.287 0.315) 18.808 31.426 ( -15.535 0.355 2.556) 15.748 31.650 ( -13.983 -2.231 3.264) 14.532 31.859 ( -10.852 -11.902 -3.266) 16.434 32.667 ( 3.760 0.549 -0.790) 3.881 32.811 ( -0.596 2.061 0.822) 2.298 32.958 ( 4.997 -2.439 2.418) 6.064 33.213 ( 1.848 -5.599 -0.263) 5.902 33.681 ( -1.208 -1.294 1.302) 2.197 33.810 ( -3.284 2.610 0.190) 4.199 34.002 ( -1.971 -1.820 -1.832) 3.249 34.106 ( -2.644 0.970 0.057) 2.816 36.879 ( 5.027 2.242 -0.130) 5.506 36.983 ( 5.746 2.696 0.067) 6.347 37.452 ( 11.286 -6.491 0.932) 13.053 37.599 ( 4.894 -5.835 -5.948) 9.663 39.103 ( -7.237 -2.944 -2.466) 8.193 39.246 ( -3.768 -5.530 8.032) 10.454 39.444 ( 0.419 1.662 0.257) 1.733 39.613 ( -1.082 3.202 2.194) 4.030 39.947 ( 1.622 6.895 -1.546) 7.250 40.010 ( 0.304 9.862 3.442) 10.450 40.385 ( 0.814 -3.377 0.681) 3.540 40.504 ( -3.693 2.506 2.602) 5.166 40.603 ( -2.368 -0.530 -3.424) 4.197 40.942 ( 2.606 -0.712 -3.495) 4.417 41.047 ( 1.785 0.958 1.427) 2.477 41.778 ( 1.350 -2.700 15.882) 16.166 41.857 ( 6.990 -13.624 -26.794) 30.861 42.008 ( -9.089 0.719 0.785) 9.151 42.400 ( -6.108 -8.118 -0.299) 10.163 43.123 ( 4.008 1.668 6.956) 8.200 43.227 ( -2.153 -12.032 3.710) 12.773 43.502 ( 3.546 -1.755 -1.439) 4.210 43.648 ( 7.269 -5.643 4.081) 10.067 44.020 ( 5.162 -5.877 -5.151) 9.366 ======================= Grid point 10 (8/60) ======================= q-point: ( 0.43 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 16.457 4.218 6.483) 18.184 1.896 ( -0.009 7.558 -4.885) 8.999 1.903 ( 0.999 8.231 0.116) 8.292 2.248 ( 9.493 -0.918 -6.498) 11.541 2.305 ( 4.181 -0.930 0.907) 4.378 2.424 ( -2.139 -1.921 5.029) 5.793 2.540 ( -1.230 -1.152 -2.238) 2.801 2.661 ( 1.188 -0.076 0.033) 1.191 2.785 ( 4.855 -7.446 1.896) 9.089 2.860 ( -0.728 -7.890 -1.960) 8.162 2.994 ( -0.234 -7.702 1.192) 7.797 3.038 ( 5.371 -3.200 1.229) 6.371 3.142 ( 3.877 -0.026 5.371) 6.624 3.208 ( 1.768 -1.790 -3.273) 4.128 3.306 ( 0.854 4.864 -1.499) 5.161 3.350 ( -0.253 3.415 1.214) 3.633 3.551 ( -2.274 2.706 2.319) 4.228 3.600 ( 5.270 -3.120 -1.814) 6.387 3.674 ( 5.849 0.021 -2.324) 6.294 3.742 ( -0.586 -3.377 -2.216) 4.081 3.817 ( -1.624 6.327 0.418) 6.546 3.840 ( 0.092 1.943 6.387) 6.676 3.937 ( 5.696 -2.622 -1.145) 6.374 3.969 ( 11.890 -4.797 -0.663) 12.838 4.119 ( 2.115 -3.108 -1.235) 3.957 4.134 ( -1.507 1.705 -1.090) 2.523 4.152 ( -0.124 -2.653 2.074) 3.370 4.185 ( -5.283 0.170 -0.539) 5.313 4.229 ( -5.725 -0.866 -1.112) 5.896 4.313 ( -0.530 -0.572 -0.438) 0.894 4.400 ( 0.683 -1.658 -1.964) 2.660 4.497 ( 4.520 2.103 -0.341) 4.997 4.541 ( 0.054 5.202 -0.944) 5.287 4.616 ( 2.150 0.034 3.864) 4.422 4.663 ( -6.121 -1.059 3.224) 6.998 4.695 ( -3.445 -0.834 -2.703) 4.458 4.789 ( -2.850 3.306 -0.873) 4.451 4.948 ( 3.956 3.947 -2.283) 6.036 5.093 ( -2.638 0.467 0.890) 2.823 5.133 ( -1.606 2.195 -1.223) 2.982 5.255 ( -5.283 -0.675 1.029) 5.425 5.322 ( -7.794 3.381 -2.060) 8.742 5.505 ( 0.242 -4.119 -0.439) 4.149 5.603 ( -1.712 -0.253 1.150) 2.078 5.882 ( 2.501 2.350 -2.529) 4.263 6.024 ( 9.952 4.411 -0.612) 10.903 6.250 ( 7.880 -0.484 2.426) 8.259 6.372 ( 1.919 0.724 1.385) 2.475 6.470 ( 6.585 2.072 0.440) 6.917 6.509 ( 0.165 7.744 -1.615) 7.912 6.534 ( -0.026 5.239 -0.386) 5.253 6.589 ( -3.217 6.367 0.841) 7.183 6.954 ( 2.460 -3.881 0.258) 4.603 7.087 ( 3.571 0.779 1.853) 4.098 7.307 ( -1.213 -5.817 0.804) 5.996 7.431 ( 5.411 -0.604 3.133) 6.282 7.579 ( 7.737 8.106 -2.495) 11.480 7.695 ( 4.443 2.129 1.031) 5.034 8.206 ( 15.523 -3.813 -0.713) 16.001 8.248 ( 13.564 -2.484 -0.345) 13.793 8.541 ( -6.826 -1.872 -6.529) 9.630 8.578 ( -2.157 -1.865 1.582) 3.260 8.700 ( 11.616 -5.758 -1.002) 13.004 8.860 ( 23.895 -4.240 4.810) 24.741 9.444 ( -6.473 -1.721 -0.543) 6.720 9.474 ( -7.478 -0.356 0.340) 7.494 9.502 ( -2.480 -0.888 -0.133) 2.637 9.566 ( -0.598 -1.770 0.057) 1.870 10.278 ( 0.410 0.003 0.297) 0.507 10.321 ( 1.543 2.628 -0.994) 3.205 10.355 ( -1.447 2.418 0.087) 2.820 10.432 ( 0.085 3.902 0.598) 3.949 11.101 ( -0.014 4.523 -0.166) 4.526 11.148 ( 5.480 5.333 -0.110) 7.647 11.332 ( -3.825 1.312 -2.594) 4.804 11.389 ( -6.236 0.364 2.137) 6.602 11.444 ( -13.156 0.423 -2.296) 13.362 11.483 ( -12.070 1.039 2.327) 12.337 12.445 ( -1.495 -5.464 0.898) 5.736 12.468 ( 2.351 -6.251 -0.796) 6.726 12.860 ( -4.426 -2.150 -0.585) 4.955 12.894 ( -4.450 -4.274 0.659) 6.205 13.074 ( -0.178 -10.257 0.522) 10.272 13.110 ( 0.702 -8.625 -0.390) 8.662 13.230 ( -3.401 10.960 0.121) 11.476 13.284 ( -3.655 12.257 0.104) 12.791 14.128 ( -8.064 -2.944 -0.408) 8.594 14.152 ( -7.322 -3.125 0.177) 7.962 14.370 ( -1.204 0.072 0.877) 1.491 14.406 ( -1.321 -0.704 -0.594) 1.610 14.463 ( -0.761 0.794 -0.250) 1.128 14.558 ( -1.644 -0.637 0.027) 1.763 15.714 ( 5.704 2.542 -0.666) 6.280 15.734 ( 5.011 2.003 0.775) 5.451 15.916 ( -11.239 -0.555 -0.355) 11.258 15.931 ( -11.738 0.341 0.310) 11.748 16.837 ( -2.610 10.249 -0.760) 10.603 16.903 ( -1.496 12.437 0.866) 12.556 17.639 ( 11.883 -3.186 0.197) 12.305 17.738 ( 14.568 -6.207 -0.249) 15.837 17.868 ( 10.078 2.018 0.400) 10.285 17.912 ( 8.530 1.413 -0.340) 8.653 18.575 ( 5.136 -4.674 -0.383) 6.955 18.614 ( 5.837 -6.410 0.377) 8.677 18.952 ( 7.445 -5.817 0.408) 9.457 18.970 ( 5.005 -3.279 -0.222) 5.988 19.245 ( 5.171 -1.622 0.277) 5.427 19.267 ( 5.494 -1.672 -0.180) 5.745 19.491 ( -7.476 2.348 -0.036) 7.836 19.593 ( -2.602 7.375 2.066) 8.089 19.628 ( -1.984 1.727 -3.135) 4.093 19.766 ( -7.990 -0.404 1.056) 8.070 19.900 ( -3.146 2.300 0.205) 3.902 19.932 ( -3.180 3.205 0.003) 4.515 20.040 ( -15.233 -2.120 -0.398) 15.385 20.140 ( -10.798 2.243 -1.619) 11.147 20.223 ( -7.833 2.836 2.380) 8.664 20.311 ( -0.327 -0.254 -0.334) 0.532 20.460 ( -0.517 1.290 -1.176) 1.820 20.593 ( -0.771 1.102 0.671) 1.503 21.084 ( 0.551 0.825 -0.269) 1.028 21.159 ( 1.489 0.765 0.209) 1.687 21.328 ( -8.201 -4.472 -0.197) 9.343 21.367 ( -6.458 -5.629 0.153) 8.569 21.652 ( -2.006 -0.106 -0.419) 2.052 21.683 ( -1.705 -0.647 0.359) 1.858 21.762 ( -0.588 -3.247 -0.041) 3.300 21.791 ( -0.756 -2.171 0.145) 2.303 22.017 ( 0.295 -0.130 -0.245) 0.405 22.052 ( 0.340 0.788 0.128) 0.868 22.395 ( -1.925 -16.223 -0.220) 16.338 22.444 ( -2.323 -15.822 0.088) 15.992 24.709 ( 1.721 19.754 0.278) 19.831 24.756 ( 1.096 20.937 -0.212) 20.967 26.091 ( 2.914 -3.926 -0.528) 4.917 26.198 ( 3.299 -3.934 0.147) 5.136 26.323 ( 0.586 4.330 -0.096) 4.371 26.356 ( -0.004 5.287 0.222) 5.292 26.699 ( 8.372 -2.828 0.427) 8.847 26.788 ( 7.627 -1.703 -0.354) 7.822 26.905 ( 1.039 -3.124 -1.014) 3.445 26.947 ( 3.406 -0.202 -0.004) 3.412 26.948 ( -1.762 0.298 -0.083) 1.789 27.099 ( -5.660 -0.763 1.357) 5.870 27.390 ( -2.234 10.842 -0.114) 11.071 27.457 ( -2.203 11.008 0.372) 11.232 28.313 ( 1.349 -5.824 -0.291) 5.985 28.450 ( 1.153 -0.790 0.244) 1.418 29.060 ( 9.184 0.594 -0.933) 9.250 29.094 ( 6.575 2.139 -0.074) 6.915 29.180 ( 0.994 -1.054 3.692) 3.966 29.381 ( -0.695 -1.111 -3.259) 3.513 30.292 ( 19.739 3.224 -0.173) 20.001 30.380 ( 8.735 6.248 -0.996) 10.786 30.799 ( 9.213 0.123 3.670) 9.918 30.885 ( 5.817 -2.681 -7.931) 10.194 30.962 ( -14.184 0.148 1.353) 14.249 31.088 ( -15.868 0.203 2.081) 16.005 31.329 ( -13.919 -3.923 3.853) 14.966 31.658 ( -5.922 -9.974 -1.859) 11.748 32.721 ( 1.289 0.568 -0.213) 1.424 32.806 ( -0.037 2.703 0.093) 2.705 33.039 ( 2.017 -3.150 1.146) 3.912 33.235 ( 0.421 -5.971 -0.448) 6.003 33.654 ( -0.898 -1.893 -0.329) 2.121 33.781 ( -0.286 3.490 2.090) 4.078 33.964 ( -1.054 -4.740 -1.943) 5.230 34.068 ( -0.888 -0.123 0.345) 0.960 36.965 ( 2.410 3.003 -0.076) 3.851 37.078 ( 2.586 2.915 0.057) 3.897 37.624 ( 4.083 -6.704 -1.045) 7.919 37.667 ( 1.893 -4.677 0.051) 5.046 38.978 ( -3.238 -1.215 -1.856) 3.925 39.194 ( -1.503 -6.314 2.619) 6.999 39.442 ( -0.247 2.883 -0.147) 2.897 39.588 ( -0.914 4.149 0.657) 4.299 39.981 ( 1.180 7.921 -0.768) 8.045 40.044 ( 1.417 9.903 1.570) 10.127 40.365 ( -1.436 -1.320 0.112) 1.954 40.465 ( -0.601 0.786 1.695) 1.963 40.559 ( -1.154 0.455 -2.241) 2.561 40.978 ( 0.987 -0.238 -1.567) 1.867 41.069 ( 0.361 -0.567 0.584) 0.890 41.837 ( 0.559 -1.621 16.864) 16.951 41.865 ( -1.384 3.390 3.397) 4.995 41.910 ( 0.020 -8.341 -23.234) 24.686 42.302 ( -2.519 -12.228 0.784) 12.510 43.184 ( -0.293 -11.305 0.233) 11.311 43.205 ( 1.077 1.138 3.162) 3.529 43.552 ( 1.283 0.714 -0.494) 1.549 43.750 ( 2.137 -3.895 1.872) 4.821 44.101 ( 2.260 -5.057 -2.300) 5.998 ======================= Grid point 14 (9/60) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 0.000 20.923 0.000) 20.923 1.036 ( 0.000 21.461 0.000) 21.461 1.275 ( 0.000 14.551 0.000) 14.551 1.753 ( 0.000 -12.463 0.000) 12.463 1.885 ( 0.000 8.372 0.000) 8.372 2.062 ( 0.000 -1.381 0.000) 1.381 2.107 ( 0.000 -5.571 0.000) 5.571 2.201 ( 0.000 -0.050 0.000) 0.050 2.295 ( 0.000 15.368 0.000) 15.368 2.549 ( 0.000 -3.531 0.000) 3.531 2.682 ( 0.000 -4.034 0.000) 4.034 2.970 ( 0.000 -3.014 0.000) 3.014 2.977 ( 0.000 -1.448 0.000) 1.448 3.114 ( 0.000 -4.055 0.000) 4.055 3.232 ( 0.000 4.432 0.000) 4.432 3.287 ( 0.000 0.713 0.000) 0.713 3.412 ( 0.000 -1.277 0.000) 1.277 3.413 ( 0.000 -0.781 0.000) 0.781 3.512 ( 0.000 -12.175 0.000) 12.175 3.608 ( 0.000 -1.404 0.000) 1.404 3.633 ( 0.000 10.084 0.000) 10.084 3.637 ( 0.000 2.410 0.000) 2.410 3.677 ( 0.000 -12.485 0.000) 12.485 3.808 ( 0.000 3.381 0.000) 3.381 3.863 ( 0.000 -1.267 0.000) 1.267 4.067 ( 0.000 0.781 0.000) 0.781 4.112 ( 0.000 0.266 0.000) 0.266 4.189 ( 0.000 -9.723 0.000) 9.723 4.228 ( 0.000 -1.024 0.000) 1.024 4.400 ( 0.000 -4.147 0.000) 4.147 4.409 ( 0.000 0.866 0.000) 0.866 4.448 ( 0.000 -3.778 0.000) 3.778 4.459 ( 0.000 -0.061 0.000) 0.061 4.475 ( 0.000 0.367 0.000) 0.367 4.686 ( 0.000 2.425 0.000) 2.425 4.693 ( 0.000 3.571 0.000) 3.571 4.737 ( 0.000 4.085 0.000) 4.085 4.833 ( 0.000 -0.579 0.000) 0.579 4.865 ( 0.000 -3.253 0.000) 3.253 4.986 ( 0.000 -4.861 0.000) 4.861 5.444 ( 0.000 6.351 0.000) 6.351 5.483 ( 0.000 5.353 0.000) 5.353 5.664 ( 0.000 -1.205 0.000) 1.205 5.678 ( 0.000 -0.680 0.000) 0.680 5.748 ( 0.000 8.167 0.000) 8.167 5.771 ( 0.000 4.650 0.000) 4.650 5.818 ( 0.000 2.192 0.000) 2.192 5.871 ( 0.000 0.445 0.000) 0.445 6.480 ( 0.000 0.344 0.000) 0.344 6.493 ( 0.000 0.125 0.000) 0.125 6.504 ( 0.000 0.180 0.000) 0.180 6.563 ( 0.000 -1.757 0.000) 1.757 6.709 ( 0.000 3.328 0.000) 3.328 6.827 ( 0.000 -0.698 0.000) 0.698 6.958 ( 0.000 3.713 0.000) 3.713 6.995 ( 0.000 1.073 0.000) 1.073 7.396 ( 0.000 6.497 0.000) 6.497 7.576 ( 0.000 4.360 0.000) 4.360 7.683 ( 0.000 -6.484 0.000) 6.484 7.839 ( 0.000 -6.397 0.000) 6.397 8.330 ( 0.000 0.394 0.000) 0.394 8.525 ( 0.000 -7.748 0.000) 7.748 8.528 ( 0.000 2.233 0.000) 2.233 8.660 ( 0.000 -4.597 0.000) 4.597 9.497 ( 0.000 0.145 0.000) 0.145 9.524 ( 0.000 -1.098 0.000) 1.098 9.543 ( 0.000 0.561 0.000) 0.561 9.551 ( 0.000 0.818 0.000) 0.818 10.162 ( 0.000 1.084 0.000) 1.084 10.217 ( 0.000 1.280 0.000) 1.280 10.253 ( 0.000 -2.851 0.000) 2.851 10.265 ( 0.000 -1.007 0.000) 1.007 11.309 ( 0.000 11.942 0.000) 11.942 11.409 ( 0.000 14.246 0.000) 14.246 11.641 ( 0.000 -2.571 0.000) 2.571 11.795 ( 0.000 -3.235 0.000) 3.235 12.048 ( 0.000 0.252 0.000) 0.252 12.168 ( 0.000 3.048 0.000) 3.048 12.388 ( 0.000 -10.179 0.000) 10.179 12.542 ( 0.000 -10.441 0.000) 10.441 12.728 ( 0.000 -1.038 0.000) 1.038 12.789 ( 0.000 -0.136 0.000) 0.136 12.861 ( 0.000 -10.254 0.000) 10.254 12.900 ( 0.000 -7.440 0.000) 7.440 14.102 ( 0.000 12.182 0.000) 12.182 14.137 ( 0.000 14.643 0.000) 14.643 14.403 ( 0.000 -4.465 0.000) 4.465 14.463 ( 0.000 -1.639 0.000) 1.639 14.557 ( 0.000 3.286 0.000) 3.286 14.760 ( 0.000 1.655 0.000) 1.655 14.802 ( 0.000 -6.193 0.000) 6.193 14.922 ( 0.000 -4.155 0.000) 4.155 16.019 ( 0.000 1.976 0.000) 1.976 16.059 ( 0.000 2.770 0.000) 2.770 16.138 ( 0.000 -3.729 0.000) 3.729 16.221 ( 0.000 -4.514 0.000) 4.514 16.554 ( 0.000 10.686 0.000) 10.686 16.596 ( 0.000 11.398 0.000) 11.398 16.915 ( 0.000 -0.723 0.000) 0.723 16.959 ( 0.000 -1.376 0.000) 1.376 17.846 ( 0.000 10.157 0.000) 10.157 17.867 ( 0.000 10.299 0.000) 10.299 18.123 ( 0.000 -3.221 0.000) 3.221 18.141 ( 0.000 -3.218 0.000) 3.218 18.585 ( 0.000 1.342 0.000) 1.342 18.621 ( 0.000 -0.990 0.000) 0.990 18.958 ( 0.000 -13.011 0.000) 13.011 19.025 ( 0.000 -12.760 0.000) 12.760 19.542 ( 0.000 0.304 0.000) 0.304 19.559 ( 0.000 0.149 0.000) 0.149 19.862 ( 0.000 0.829 0.000) 0.829 19.918 ( 0.000 1.234 0.000) 1.234 20.028 ( 0.000 -2.631 0.000) 2.631 20.100 ( 0.000 -5.891 0.000) 5.891 20.131 ( 0.000 0.029 0.000) 0.029 20.148 ( 0.000 -2.402 0.000) 2.402 20.460 ( 0.000 1.702 0.000) 1.702 20.559 ( 0.000 -3.043 0.000) 3.043 21.070 ( 0.000 2.004 0.000) 2.004 21.094 ( 0.000 1.257 0.000) 1.257 21.476 ( 0.000 4.125 0.000) 4.125 21.550 ( 0.000 3.726 0.000) 3.726 21.556 ( 0.000 -0.066 0.000) 0.066 21.592 ( 0.000 -0.087 0.000) 0.087 21.818 ( 0.000 3.714 0.000) 3.714 21.892 ( 0.000 3.223 0.000) 3.223 21.977 ( 0.000 -2.572 0.000) 2.572 22.047 ( 0.000 -1.524 0.000) 1.524 22.355 ( 0.000 3.116 0.000) 3.116 22.448 ( 0.000 2.610 0.000) 2.610 22.721 ( 0.000 -16.165 0.000) 16.165 22.798 ( 0.000 -15.202 0.000) 15.202 24.824 ( 0.000 16.748 0.000) 16.748 24.916 ( 0.000 15.490 0.000) 15.490 25.244 ( 0.000 -1.243 0.000) 1.243 25.275 ( 0.000 -5.029 0.000) 5.029 26.216 ( 0.000 0.170 0.000) 0.170 26.289 ( 0.000 -3.517 0.000) 3.517 26.303 ( 0.000 -0.875 0.000) 0.875 26.417 ( 0.000 -4.950 0.000) 4.950 26.848 ( 0.000 3.905 0.000) 3.905 26.946 ( 0.000 -1.537 0.000) 1.537 27.001 ( 0.000 2.552 0.000) 2.552 27.070 ( 0.000 -0.664 0.000) 0.664 27.521 ( 0.000 12.851 0.000) 12.851 27.708 ( 0.000 16.633 0.000) 16.633 28.050 ( 0.000 -8.798 0.000) 8.798 28.247 ( 0.000 -5.888 0.000) 5.888 28.589 ( 0.000 1.318 0.000) 1.318 28.631 ( 0.000 1.233 0.000) 1.233 28.680 ( 0.000 4.716 0.000) 4.716 29.138 ( 0.000 -16.657 0.000) 16.657 29.714 ( 0.000 3.248 0.000) 3.248 30.019 ( 0.000 -6.205 0.000) 6.205 30.357 ( 0.000 -4.207 0.000) 4.207 30.397 ( 0.000 -2.175 0.000) 2.175 31.846 ( 0.000 -0.525 0.000) 0.525 31.847 ( 0.000 -0.445 0.000) 0.445 31.898 ( 0.000 -0.195 0.000) 0.195 31.911 ( 0.000 -0.574 0.000) 0.574 32.554 ( 0.000 2.531 0.000) 2.531 32.633 ( 0.000 -0.822 0.000) 0.822 32.908 ( 0.000 1.461 0.000) 1.461 33.058 ( 0.000 -4.903 0.000) 4.903 33.748 ( 0.000 3.978 0.000) 3.978 33.942 ( 0.000 -3.600 0.000) 3.600 34.248 ( 0.000 3.456 0.000) 3.456 34.252 ( 0.000 2.153 0.000) 2.153 36.755 ( 0.000 0.973 0.000) 0.973 36.788 ( 0.000 -0.453 0.000) 0.453 37.053 ( 0.000 1.832 0.000) 1.832 37.145 ( 0.000 -2.180 0.000) 2.180 39.062 ( 0.000 3.401 0.000) 3.401 39.254 ( 0.000 -4.250 0.000) 4.250 39.540 ( 0.000 2.422 0.000) 2.422 39.561 ( 0.000 0.813 0.000) 0.813 40.034 ( 0.000 6.811 0.000) 6.811 40.210 ( 0.000 0.592 0.000) 0.592 40.411 ( 0.000 -0.964 0.000) 0.964 40.522 ( 0.000 -3.291 0.000) 3.291 40.658 ( 0.000 0.036 0.000) 0.036 40.659 ( 0.000 -0.627 0.000) 0.627 41.059 ( 0.000 5.017 0.000) 5.017 41.259 ( 0.000 -2.707 0.000) 2.707 41.879 ( 0.000 6.021 0.000) 6.021 42.141 ( 0.000 -4.249 0.000) 4.249 42.709 ( 0.000 4.618 0.000) 4.618 42.898 ( 0.000 -7.058 0.000) 7.058 43.067 ( 0.000 -3.627 0.000) 3.627 43.171 ( 0.000 -6.325 0.000) 6.325 43.315 ( 0.000 -0.863 0.000) 0.863 43.550 ( 0.000 -14.674 0.000) 14.674 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.14 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 18.748 14.638 0.988) 23.806 1.199 ( 17.073 14.890 -1.310) 22.691 1.795 ( 23.370 6.377 -4.761) 24.687 1.914 ( 9.397 8.239 0.922) 12.531 1.973 ( 16.367 -4.996 -0.533) 17.121 2.133 ( 6.907 -4.186 -13.212) 15.485 2.275 ( 10.850 4.714 6.150) 13.333 2.352 ( 7.580 13.625 4.005) 16.097 2.499 ( 23.239 -7.367 -0.380) 24.381 2.602 ( 4.859 -0.129 0.454) 4.882 2.660 ( 0.462 -3.382 -2.415) 4.181 2.910 ( -2.769 1.214 1.850) 3.545 2.969 ( -1.684 -1.867 4.932) 5.536 3.142 ( 0.704 0.658 -0.890) 1.312 3.196 ( -3.182 -0.209 -0.344) 3.207 3.272 ( -1.221 -3.386 0.201) 3.605 3.314 ( -4.972 -11.433 -2.634) 12.742 3.478 ( -0.400 -4.112 6.530) 7.727 3.544 ( 6.878 0.070 2.176) 7.214 3.633 ( 2.142 4.027 -1.489) 4.798 3.675 ( 3.869 1.714 1.618) 4.530 3.744 ( 2.345 -3.907 0.983) 4.662 3.769 ( 5.462 -0.787 -2.424) 6.027 3.876 ( 5.037 0.093 -1.949) 5.402 3.914 ( 7.561 -2.673 2.218) 8.321 4.055 ( 2.724 0.869 0.756) 2.958 4.111 ( -3.911 -4.843 -0.211) 6.229 4.162 ( 1.324 -3.089 0.907) 3.481 4.244 ( 1.327 -2.792 0.731) 3.176 4.358 ( -2.296 -2.212 -1.674) 3.601 4.461 ( 2.082 -2.067 2.579) 3.906 4.475 ( 0.127 -0.332 0.424) 0.553 4.495 ( 3.693 0.240 -1.712) 4.078 4.497 ( 3.400 0.982 -1.151) 3.722 4.651 ( -1.536 0.398 -0.924) 1.836 4.671 ( -0.549 -0.231 -0.044) 0.598 4.766 ( 2.816 2.359 -2.416) 4.396 4.801 ( 1.589 -0.861 -2.845) 3.370 4.985 ( 7.943 1.298 -1.280) 8.150 5.086 ( 5.267 -1.887 -0.326) 5.604 5.436 ( 1.363 6.453 -0.757) 6.639 5.580 ( 5.597 3.820 0.290) 6.782 5.663 ( -3.594 2.020 2.877) 5.027 5.688 ( -1.840 -2.847 -2.678) 4.320 5.759 ( 0.878 2.937 -1.715) 3.513 5.848 ( 3.065 4.426 7.428) 9.174 5.878 ( 8.383 5.488 2.511) 10.329 5.953 ( 10.180 1.876 -1.194) 10.420 6.423 ( 2.968 1.771 -0.145) 3.459 6.521 ( 0.994 2.341 0.780) 2.660 6.558 ( -3.550 1.420 3.108) 4.928 6.633 ( 11.583 -3.866 -4.441) 12.994 6.741 ( 5.967 6.043 -1.314) 8.594 6.859 ( 2.927 5.231 -5.808) 8.347 6.937 ( -1.579 2.530 5.621) 6.363 7.032 ( 3.916 -2.452 0.872) 4.702 7.443 ( 2.349 2.096 -5.500) 6.337 7.536 ( 0.998 3.113 -1.956) 3.809 7.639 ( -3.078 -6.845 2.579) 7.936 7.789 ( -4.228 -6.322 -0.735) 7.641 8.336 ( 0.782 1.237 1.367) 2.003 8.460 ( -3.061 -0.018 6.524) 7.206 8.563 ( 1.497 -3.812 -4.025) 5.742 8.656 ( -0.727 -4.496 -0.647) 4.600 9.484 ( -1.854 0.438 -0.169) 1.912 9.506 ( 0.411 1.020 1.319) 1.718 9.538 ( -0.293 -1.004 -0.811) 1.323 9.598 ( 1.994 -1.396 0.346) 2.459 10.199 ( 3.193 1.590 0.714) 3.638 10.231 ( 1.777 1.140 -0.517) 2.174 10.289 ( 2.200 -1.146 1.415) 2.856 10.308 ( 4.330 -2.361 -1.759) 5.236 11.298 ( -1.007 11.696 0.617) 11.756 11.390 ( -1.706 13.556 -0.855) 13.690 11.606 ( -3.360 -1.410 -0.399) 3.665 11.743 ( -4.872 -2.771 0.815) 5.664 11.969 ( -7.264 0.652 0.129) 7.294 12.087 ( -7.505 3.085 -0.883) 8.162 12.345 ( -3.611 -10.648 0.170) 11.245 12.479 ( -5.088 -10.459 0.417) 11.638 12.768 ( 2.627 -2.028 0.677) 3.387 12.818 ( 2.208 -1.345 -1.022) 2.780 12.869 ( 0.919 -9.116 0.393) 9.171 12.900 ( 0.113 -7.068 -0.031) 7.069 14.007 ( -8.936 14.109 0.066) 16.701 14.040 ( -8.817 14.803 -0.057) 17.230 14.390 ( -2.032 -5.125 -0.483) 5.535 14.418 ( -3.941 -2.459 1.015) 4.755 14.527 ( -2.488 1.465 0.217) 2.896 14.640 ( -10.395 -2.696 0.024) 10.739 14.700 ( -8.035 -1.777 -0.573) 8.249 14.765 ( -10.913 -3.068 -0.289) 11.340 16.054 ( -9.091 5.295 -0.835) 10.554 16.096 ( -8.240 3.638 0.451) 9.019 16.159 ( 3.636 0.289 -0.338) 3.663 16.177 ( 4.380 -0.199 0.209) 4.390 16.664 ( 12.468 3.780 -0.515) 13.039 16.685 ( 14.008 3.539 0.727) 14.466 16.973 ( 5.597 -5.220 -0.148) 7.655 17.019 ( 5.478 -6.164 0.100) 8.247 17.738 ( -6.047 15.959 -0.595) 17.077 17.757 ( -5.553 16.638 0.815) 17.559 18.195 ( 5.534 -5.087 -0.260) 7.521 18.228 ( 6.089 -3.919 0.363) 7.250 18.627 ( 3.206 0.915 0.255) 3.344 18.665 ( 3.526 -1.472 -0.285) 3.831 19.014 ( 3.890 -13.104 0.656) 13.685 19.060 ( 2.017 -13.166 -0.672) 13.337 19.556 ( 1.338 0.032 -0.216) 1.356 19.567 ( 0.802 0.360 0.109) 0.886 19.844 ( -1.182 2.577 0.219) 2.844 19.899 ( -0.525 3.605 -0.175) 3.647 20.076 ( -0.126 -5.514 -0.115) 5.517 20.105 ( 1.802 -4.006 -0.150) 4.395 20.143 ( 0.847 -0.064 0.350) 0.918 20.167 ( 2.544 -1.031 -0.038) 2.745 20.452 ( -0.647 1.453 -0.143) 1.597 20.515 ( -3.391 -0.771 -0.112) 3.480 21.071 ( -1.765 1.285 -0.130) 2.187 21.081 ( 0.390 1.255 0.200) 1.329 21.307 ( -13.704 8.875 -2.028) 16.453 21.344 ( -13.205 7.800 1.434) 15.404 21.597 ( -1.193 -3.561 -0.990) 3.884 21.631 ( -0.426 -4.113 0.349) 4.150 21.811 ( -2.163 3.498 0.335) 4.126 21.855 ( -3.846 2.534 0.338) 4.618 21.963 ( -3.292 -1.288 -0.145) 3.538 22.018 ( -3.493 -1.375 -0.211) 3.760 22.174 ( -12.551 1.533 1.099) 12.692 22.220 ( -13.980 1.334 -1.201) 14.095 22.490 ( -19.849 -17.114 1.563) 26.254 22.514 ( -20.327 -16.142 0.378) 25.960 24.917 ( 8.164 19.959 -0.133) 21.564 24.997 ( 7.851 18.415 -0.244) 20.020 25.487 ( 17.158 -5.386 -0.604) 17.993 25.540 ( 18.272 -8.176 -0.662) 20.029 26.230 ( 2.885 2.260 -0.479) 3.696 26.280 ( 1.539 1.883 0.324) 2.453 26.382 ( 6.284 -3.629 1.330) 7.377 26.486 ( 4.544 -5.683 0.332) 7.284 26.854 ( 0.719 4.491 -0.138) 4.551 26.941 ( -0.994 2.835 2.136) 3.686 27.017 ( 0.462 -0.694 -3.125) 3.235 27.082 ( 1.063 -1.523 1.184) 2.202 27.582 ( 4.630 11.190 -1.192) 12.168 27.721 ( 1.010 15.088 1.293) 15.177 28.080 ( 2.417 -8.342 -1.660) 8.842 28.232 ( 0.948 -5.616 0.285) 5.703 28.683 ( 6.336 2.465 -1.015) 6.874 28.728 ( 10.515 1.308 3.533) 11.170 28.809 ( 9.564 3.482 0.517) 10.192 29.189 ( 4.351 -12.241 -5.470) 14.096 29.770 ( 5.851 5.019 -0.348) 7.717 30.052 ( 5.145 0.700 -7.677) 9.268 30.370 ( 4.184 -4.488 -6.079) 8.637 30.531 ( 6.700 -6.197 15.170) 17.704 31.705 ( -11.565 0.291 0.369) 11.574 31.735 ( -10.099 0.769 0.596) 10.146 31.813 ( -7.369 -3.733 -1.415) 8.381 31.840 ( -7.706 -3.653 -0.964) 8.582 32.612 ( 4.501 2.745 0.014) 5.272 32.726 ( 6.640 -2.095 0.526) 6.982 32.900 ( -0.415 1.568 1.105) 1.963 33.058 ( 0.274 -5.395 0.610) 5.436 33.725 ( -1.947 2.967 2.266) 4.210 33.892 ( -3.945 -3.184 -1.870) 5.403 34.149 ( -6.817 4.032 -0.217) 7.923 34.209 ( -4.528 0.989 0.484) 4.660 36.815 ( 5.132 2.019 -0.132) 5.516 36.888 ( 7.908 0.018 -0.151) 7.910 37.115 ( 6.496 -0.825 -0.571) 6.573 37.283 ( 9.307 -6.415 -2.163) 11.509 39.112 ( 0.728 -1.157 9.454) 9.552 39.213 ( -3.798 -4.247 0.297) 5.705 39.506 ( -1.136 3.178 -0.665) 3.440 39.596 ( 2.455 -0.988 -1.063) 2.851 40.056 ( 1.933 7.230 -0.707) 7.517 40.223 ( 0.645 2.931 1.812) 3.506 40.330 ( -2.228 3.420 0.102) 4.082 40.561 ( 0.119 -4.454 0.939) 4.553 40.647 ( -1.069 1.570 -0.488) 1.961 40.769 ( 7.808 -4.522 -6.141) 10.914 41.069 ( 0.831 4.582 2.660) 5.363 41.329 ( 5.973 -7.892 -0.211) 9.900 41.843 ( -2.143 5.376 -2.322) 6.236 42.103 ( -2.731 -4.224 -7.349) 8.906 42.571 ( -12.404 2.894 6.981) 14.525 42.922 ( 2.785 -10.197 2.404) 10.841 43.094 ( 0.077 -2.942 0.921) 3.084 43.286 ( 10.082 -6.955 0.386) 12.254 43.370 ( 6.077 1.100 0.311) 6.183 43.673 ( 8.803 -11.920 -2.298) 14.995 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.29 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 16.356 13.893 2.251) 21.578 1.699 ( 22.181 1.453 1.786) 22.300 1.992 ( 7.731 4.337 -4.375) 9.885 2.067 ( 4.165 3.663 -1.458) 5.735 2.231 ( 10.230 4.928 -6.593) 13.130 2.403 ( 8.229 -4.433 0.360) 9.354 2.477 ( 0.939 -3.473 3.046) 4.715 2.519 ( 7.150 7.014 -1.227) 10.091 2.677 ( -2.012 -0.378 -1.974) 2.844 2.759 ( 6.138 -1.206 -1.244) 6.378 2.837 ( 3.412 -0.805 5.024) 6.126 2.948 ( 2.783 -4.205 1.904) 5.390 2.988 ( 4.792 -3.026 3.918) 6.890 3.111 ( 1.972 1.752 0.718) 2.734 3.229 ( 9.147 -2.149 -0.362) 9.403 3.333 ( 7.007 -5.426 -3.429) 9.502 3.343 ( 10.580 -3.633 -1.564) 11.295 3.449 ( -2.854 -4.026 1.405) 5.131 3.622 ( 1.911 3.158 1.019) 3.830 3.694 ( 3.005 2.338 2.861) 4.763 3.749 ( 0.285 -0.331 1.088) 1.173 3.776 ( 1.657 -5.024 1.509) 5.502 3.826 ( 4.156 -2.156 -3.788) 6.022 3.970 ( 2.407 5.713 4.543) 7.686 3.993 ( -1.691 -3.319 -1.921) 4.191 4.105 ( 4.890 -1.529 -1.164) 5.254 4.157 ( 0.989 0.745 0.416) 1.306 4.211 ( 3.194 -3.191 2.929) 5.382 4.261 ( -0.910 -2.618 2.486) 3.723 4.314 ( -0.994 -2.029 -2.992) 3.750 4.428 ( -3.925 1.937 0.156) 4.379 4.518 ( 1.951 0.669 -1.412) 2.500 4.545 ( 1.586 0.058 1.204) 1.992 4.562 ( 3.428 1.363 0.427) 3.714 4.635 ( 0.033 -1.991 0.005) 1.992 4.729 ( 2.303 -2.831 -2.186) 4.254 4.868 ( 4.940 2.742 -3.721) 6.765 4.903 ( 7.819 2.378 -4.292) 9.232 5.104 ( 1.780 1.122 1.503) 2.586 5.165 ( 2.503 0.215 -1.860) 3.126 5.396 ( -6.873 2.795 1.846) 7.645 5.482 ( -6.397 -0.275 4.136) 7.623 5.591 ( -8.500 -0.784 -2.421) 8.872 5.663 ( -4.437 -2.166 0.636) 4.978 5.862 ( 9.282 4.634 -2.487) 10.668 5.961 ( 6.939 3.848 -1.428) 8.062 6.034 ( 7.170 3.458 -0.492) 7.975 6.200 ( 12.815 0.808 2.881) 13.159 6.461 ( -1.472 4.081 2.320) 4.920 6.571 ( 4.162 3.934 4.320) 7.174 6.700 ( 11.539 3.593 -3.022) 12.458 6.747 ( 0.731 3.901 -3.655) 5.396 6.828 ( -0.099 9.464 3.852) 10.218 7.067 ( 7.524 3.499 1.209) 8.385 7.104 ( 18.477 -0.233 -2.171) 18.606 7.190 ( 10.879 -0.984 -0.570) 10.939 7.412 ( 4.520 0.877 -1.464) 4.832 7.676 ( -1.317 -4.705 -0.427) 4.905 7.733 ( 12.876 -6.754 -0.757) 14.560 7.751 ( 16.042 -6.370 -0.424) 17.266 8.388 ( 4.167 1.306 1.465) 4.606 8.470 ( 4.778 0.866 5.999) 7.718 8.576 ( -0.224 -4.171 -4.900) 6.438 8.625 ( -1.759 -3.736 -0.626) 4.177 9.452 ( -1.078 0.415 0.282) 1.189 9.513 ( -0.491 -0.128 1.401) 1.490 9.520 ( -0.988 -1.273 -0.285) 1.637 9.604 ( -2.020 -2.183 -0.384) 2.999 10.267 ( 2.213 1.425 1.645) 3.103 10.300 ( 4.555 2.095 -1.094) 5.132 10.347 ( 2.572 -1.195 1.483) 3.200 10.406 ( 4.492 -1.581 -2.201) 5.246 11.274 ( -1.046 10.423 0.898) 10.514 11.335 ( -3.238 11.190 -1.610) 11.760 11.503 ( -5.771 1.825 -0.510) 6.075 11.590 ( -9.499 -0.901 1.688) 9.690 11.756 ( -11.941 2.296 -0.797) 12.186 11.844 ( -14.936 3.949 -0.255) 15.451 12.264 ( -3.265 -13.216 -0.487) 13.622 12.347 ( -6.903 -13.116 0.961) 14.852 12.818 ( 1.818 -2.889 0.194) 3.419 12.837 ( -0.477 -4.407 -0.638) 4.478 12.895 ( 0.034 -5.988 0.689) 6.027 12.918 ( 2.068 -5.322 -0.265) 5.716 13.747 ( -13.799 15.837 -0.385) 21.008 13.786 ( -13.372 14.983 0.505) 20.089 14.258 ( -10.597 -7.599 -0.195) 13.042 14.276 ( -11.941 -7.091 0.339) 13.892 14.429 ( -5.380 -0.277 1.395) 5.565 14.450 ( -4.563 -0.960 -0.499) 4.689 14.532 ( -4.342 1.413 -1.222) 4.727 14.602 ( -4.729 -1.623 -0.178) 5.003 15.845 ( -7.135 7.969 -0.788) 10.726 15.864 ( -8.871 6.756 0.788) 11.179 16.099 ( -8.960 -3.515 0.517) 9.639 16.130 ( -8.568 -3.347 -0.482) 9.211 16.993 ( 12.291 3.065 -0.318) 12.671 17.088 ( 13.926 4.209 0.489) 14.556 17.177 ( 16.071 -4.973 0.183) 16.824 17.241 ( 16.692 -2.620 -0.032) 16.896 17.742 ( 8.142 14.260 -1.066) 16.455 17.774 ( 7.389 14.036 0.876) 15.886 18.301 ( 3.825 -9.997 0.097) 10.704 18.342 ( 3.868 -8.174 -0.056) 9.043 18.728 ( 6.679 1.509 0.685) 6.881 18.783 ( 8.312 0.995 -0.617) 8.394 19.080 ( 2.456 -10.502 0.379) 10.792 19.086 ( 1.195 -10.292 -0.343) 10.366 19.575 ( 0.596 0.805 -0.186) 1.019 19.600 ( 1.564 -0.187 -0.038) 1.576 19.814 ( -1.645 5.452 0.015) 5.695 19.898 ( -0.046 5.170 0.242) 5.176 20.016 ( -5.453 -2.906 -0.823) 6.234 20.099 ( -2.733 -2.381 0.711) 3.694 20.176 ( 0.614 0.650 0.396) 0.977 20.223 ( 1.317 -0.365 -0.240) 1.388 20.413 ( -5.059 0.596 -1.261) 5.247 20.451 ( -1.164 0.955 1.195) 1.922 20.840 ( -21.794 10.063 0.775) 24.017 20.903 ( -21.190 7.108 -1.367) 22.393 21.087 ( -0.785 1.133 -1.157) 1.800 21.157 ( -0.190 2.331 1.139) 2.601 21.457 ( -15.845 -10.760 -0.856) 19.172 21.463 ( -15.834 -11.284 0.766) 19.458 21.728 ( -2.992 0.379 0.733) 3.103 21.732 ( -6.148 0.630 -0.895) 6.245 21.789 ( -9.192 -2.521 -0.842) 9.568 21.805 ( -10.484 -3.402 1.349) 11.104 22.026 ( -1.398 0.962 -0.578) 1.792 22.068 ( -1.153 1.011 0.396) 1.584 22.186 ( -5.073 -9.870 -0.451) 11.107 22.236 ( -5.598 -10.928 0.885) 12.310 25.090 ( 6.577 22.296 0.203) 23.247 25.156 ( 5.545 21.022 -0.481) 21.746 25.800 ( 10.732 -9.805 -0.919) 14.566 25.866 ( 10.837 -12.189 -0.156) 16.311 26.344 ( 6.680 4.836 0.387) 8.256 26.384 ( 6.725 4.198 0.218) 7.931 26.536 ( 6.972 -2.202 1.950) 7.567 26.586 ( 5.224 -4.035 -0.792) 6.648 26.864 ( 0.068 3.190 -0.881) 3.310 26.930 ( 0.327 4.094 0.875) 4.200 26.994 ( -1.786 -1.284 -1.853) 2.876 27.107 ( 0.412 -2.659 1.828) 3.253 27.654 ( 1.093 11.556 -0.891) 11.642 27.749 ( 1.404 14.251 1.813) 14.434 28.127 ( 1.992 -7.881 -3.027) 8.674 28.300 ( 4.016 -7.766 1.577) 8.885 28.869 ( 10.799 3.343 -0.709) 11.327 28.987 ( 11.119 2.991 3.021) 11.904 29.010 ( 8.467 -0.366 0.725) 8.506 29.281 ( 4.147 -6.659 -3.827) 8.728 29.995 ( 15.675 7.390 -0.024) 17.330 30.249 ( 13.503 4.121 -5.132) 15.022 30.529 ( 10.936 -4.708 -5.358) 13.056 30.671 ( 5.373 -2.931 9.969) 11.698 31.395 ( -17.382 1.139 0.771) 17.436 31.446 ( -15.987 1.779 1.327) 16.141 31.581 ( -15.872 -5.117 0.585) 16.687 31.609 ( -10.636 -8.988 -3.800) 14.434 32.703 ( 3.515 2.808 -0.014) 4.499 32.845 ( 3.419 -0.324 1.370) 3.697 32.905 ( 1.255 -0.851 0.012) 1.516 33.077 ( 1.131 -6.519 0.369) 6.626 33.681 ( -2.209 1.556 0.676) 2.785 33.817 ( -2.088 -2.409 1.640) 3.585 34.004 ( -6.088 2.194 -2.578) 6.966 34.104 ( -4.523 -1.159 0.989) 4.772 36.948 ( 6.596 4.234 -0.296) 7.843 37.058 ( 7.082 3.693 0.090) 7.988 37.298 ( 9.266 -6.473 -0.630) 11.321 37.450 ( 5.996 -7.918 -1.327) 10.021 39.053 ( -5.287 -1.394 -0.542) 5.494 39.126 ( -3.877 -4.952 3.709) 7.301 39.509 ( 0.793 3.727 -0.516) 3.845 39.635 ( 0.770 -0.947 1.283) 1.771 40.103 ( 2.273 7.172 -0.664) 7.553 40.249 ( 2.028 8.189 4.670) 9.643 40.331 ( 1.023 1.280 -2.676) 3.138 40.540 ( -1.912 -0.102 1.388) 2.365 40.610 ( -2.085 2.337 -1.547) 3.493 40.891 ( 4.040 -5.055 -4.719) 8.009 41.091 ( 0.564 3.935 2.009) 4.454 41.474 ( 6.409 -15.261 3.525) 16.923 41.820 ( 0.718 2.775 -4.218) 5.100 42.031 ( -2.823 -1.173 -4.560) 5.489 42.307 ( -11.628 1.792 2.847) 12.105 42.883 ( -4.204 -18.871 1.721) 19.410 43.199 ( 6.740 5.195 2.208) 8.791 43.496 ( 8.283 -7.956 2.408) 11.735 43.512 ( 6.113 3.005 -0.982) 6.882 43.848 ( 7.057 -9.851 -2.393) 12.352 ======================= Grid point 17 (12/60) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 9.027 8.431 2.812) 12.668 1.950 ( 1.554 2.654 -0.345) 3.095 2.156 ( 6.543 3.206 -3.527) 8.095 2.166 ( 6.840 -1.844 -3.658) 7.973 2.349 ( -5.593 -5.000 1.558) 7.662 2.414 ( 2.782 9.003 0.228) 9.425 2.504 ( -0.643 -7.534 -2.139) 7.858 2.583 ( -3.913 -1.744 -0.539) 4.318 2.681 ( 6.765 -2.117 1.202) 7.190 2.769 ( -2.644 -2.822 6.347) 7.433 2.851 ( -1.266 0.042 -0.741) 1.468 3.032 ( 8.331 3.067 0.752) 8.909 3.120 ( 4.198 -0.197 -0.044) 4.202 3.167 ( 2.119 -1.953 -0.010) 2.882 3.351 ( -4.294 -3.399 2.365) 5.966 3.382 ( 3.458 0.209 0.667) 3.527 3.501 ( 3.050 -4.087 -1.794) 5.406 3.614 ( 6.129 1.450 -4.021) 7.473 3.685 ( 4.244 -1.285 4.511) 6.325 3.728 ( 4.535 2.431 -7.173) 8.828 3.807 ( 1.255 -3.536 -1.251) 3.955 3.849 ( 7.688 -4.429 1.768) 9.047 3.925 ( 3.646 -3.061 -0.689) 4.810 3.960 ( -3.333 3.939 4.819) 7.060 3.987 ( 1.978 0.005 -1.923) 2.758 4.104 ( -4.055 -1.242 0.321) 4.253 4.141 ( -6.158 -1.333 3.624) 7.268 4.221 ( 0.928 0.342 1.121) 1.495 4.268 ( 1.512 1.164 0.090) 1.910 4.298 ( -0.234 -1.015 -1.707) 2.000 4.372 ( -0.866 2.339 -0.649) 2.577 4.536 ( 0.752 1.157 -1.282) 1.884 4.553 ( 0.479 -2.843 3.655) 4.656 4.613 ( 0.268 1.743 -1.690) 2.443 4.650 ( -0.089 -0.156 0.987) 1.003 4.721 ( -1.599 0.480 -1.797) 2.453 4.892 ( -2.033 5.486 -0.042) 5.851 5.038 ( 5.087 3.028 -5.589) 8.141 5.082 ( -2.444 0.147 4.365) 5.004 5.169 ( -0.877 0.732 -0.374) 1.202 5.249 ( -7.254 0.477 1.055) 7.346 5.384 ( -1.255 -2.659 -4.169) 5.102 5.426 ( -3.649 1.778 1.796) 4.439 5.577 ( -1.979 -2.198 0.768) 3.055 5.949 ( 1.310 4.028 -2.086) 4.721 6.142 ( 7.212 4.902 -3.047) 9.237 6.183 ( 3.260 -3.602 2.400) 5.419 6.396 ( 4.345 -1.828 1.696) 5.010 6.530 ( 6.247 5.668 0.073) 8.436 6.642 ( 0.093 4.471 2.745) 5.247 6.715 ( -0.241 8.370 -3.776) 9.186 6.759 ( -2.197 9.190 2.934) 9.894 6.891 ( 2.096 -1.123 -3.143) 3.941 7.099 ( 0.770 0.802 0.517) 1.226 7.173 ( -3.291 -6.660 1.881) 7.663 7.362 ( -0.064 -6.059 1.241) 6.186 7.773 ( 13.427 9.397 -0.464) 16.396 7.795 ( 10.741 7.832 0.785) 13.316 8.103 ( 15.838 -6.096 -0.109) 16.971 8.162 ( 15.288 -5.795 -0.241) 16.351 8.497 ( -4.045 -1.917 -4.817) 6.576 8.528 ( 4.970 -3.048 0.424) 5.846 8.587 ( -0.315 -3.003 0.069) 3.020 8.728 ( 14.571 -7.418 3.415) 16.703 9.425 ( -3.342 0.309 -0.720) 3.432 9.468 ( -2.150 -0.265 1.079) 2.421 9.498 ( -3.780 -0.035 -0.312) 3.793 9.523 ( -1.423 -1.934 -0.013) 2.401 10.295 ( 0.429 1.667 0.820) 1.907 10.374 ( 0.403 0.898 -1.138) 1.504 10.384 ( 1.952 1.387 1.054) 2.616 10.474 ( 1.684 -0.337 -0.648) 1.835 11.255 ( -1.330 7.119 -1.030) 7.315 11.298 ( 2.618 6.481 0.119) 6.991 11.370 ( -6.392 2.860 0.334) 7.011 11.408 ( -4.924 1.312 1.006) 5.194 11.505 ( -13.413 8.238 -0.934) 15.769 11.529 ( -7.359 5.427 0.117) 9.145 12.214 ( -2.287 -16.891 0.218) 17.047 12.229 ( -2.244 -16.529 -0.096) 16.681 12.806 ( -1.646 -2.191 -0.113) 2.743 12.848 ( 1.039 -1.377 -0.896) 1.944 12.881 ( -1.100 -5.440 1.099) 5.658 12.945 ( 0.361 -5.498 0.005) 5.510 13.515 ( -6.034 14.905 -0.198) 16.081 13.571 ( -5.224 14.194 0.288) 15.128 14.024 ( -7.691 -7.337 -0.261) 10.632 14.044 ( -6.688 -7.251 0.200) 9.866 14.372 ( -1.137 0.159 0.482) 1.245 14.390 ( -1.188 -0.718 -0.322) 1.426 14.484 ( -0.914 1.218 -0.289) 1.550 14.539 ( -1.413 -1.147 -0.087) 1.822 15.780 ( 0.999 3.176 0.252) 3.339 15.793 ( 1.754 3.753 -0.116) 4.145 15.893 ( -8.263 -1.677 0.189) 8.433 15.927 ( -8.405 -1.044 -0.185) 8.471 17.101 ( 0.613 13.537 -1.087) 13.594 17.208 ( 2.441 14.699 1.425) 14.968 17.545 ( 9.080 -6.384 0.877) 11.135 17.598 ( 13.845 -6.237 -1.330) 15.243 17.937 ( 3.813 4.775 1.085) 6.206 17.964 ( 7.246 4.833 -0.856) 8.752 18.374 ( 2.805 -13.063 0.160) 13.362 18.408 ( 2.956 -12.500 -0.363) 12.850 18.913 ( 8.095 2.162 0.589) 8.400 18.975 ( 7.229 2.914 -0.342) 7.801 19.148 ( 4.366 -6.432 0.173) 7.776 19.177 ( 7.205 -5.716 -0.181) 9.198 19.575 ( -0.836 3.862 0.221) 3.957 19.622 ( 0.836 0.227 -0.345) 0.932 19.762 ( -11.459 1.571 -0.374) 11.572 19.797 ( -0.674 6.153 0.209) 6.193 19.924 ( -5.451 -1.096 -0.227) 5.564 19.963 ( -4.359 -0.339 0.439) 4.394 20.089 ( -9.185 9.097 0.874) 12.957 20.195 ( -1.657 2.607 -1.746) 3.548 20.274 ( -4.818 -0.797 -0.453) 4.905 20.394 ( -9.536 11.289 3.400) 15.164 20.474 ( -1.755 -0.342 -2.461) 3.042 20.625 ( -4.258 2.117 0.278) 4.763 21.028 ( -5.701 -13.102 -0.198) 14.290 21.139 ( -7.996 -14.152 -0.506) 16.262 21.169 ( -3.753 -3.658 -0.491) 5.264 21.178 ( -0.476 -1.392 1.110) 1.843 21.657 ( -1.258 0.597 0.014) 1.392 21.667 ( -2.150 -0.689 0.125) 2.261 21.687 ( -1.208 -2.660 -0.210) 2.929 21.729 ( -0.730 -2.984 0.114) 3.074 22.021 ( 0.148 0.612 -0.207) 0.663 22.070 ( 0.371 0.842 0.305) 0.969 22.138 ( -0.866 -7.325 -0.208) 7.379 22.179 ( -0.950 -7.406 0.114) 7.467 25.178 ( 1.823 23.210 0.100) 23.282 25.227 ( 1.543 22.226 -0.128) 22.280 25.939 ( 2.877 -10.725 -0.396) 11.111 26.002 ( 2.641 -13.763 -0.054) 14.014 26.453 ( 2.727 6.472 -0.017) 7.023 26.497 ( 2.779 6.800 0.468) 7.361 26.633 ( 2.457 -3.192 -0.357) 4.044 26.724 ( 5.646 -4.300 1.352) 7.225 26.867 ( 0.224 0.008 -1.463) 1.480 26.946 ( -1.825 -1.137 -0.649) 2.246 26.966 ( 2.595 2.322 0.331) 3.498 27.078 ( -3.189 -1.460 1.207) 3.709 27.640 ( -1.043 13.158 -0.398) 13.205 27.773 ( 0.434 17.216 0.709) 17.236 28.156 ( 0.843 -9.303 -1.065) 9.402 28.365 ( 1.595 -7.704 0.459) 7.881 29.082 ( 7.500 1.338 -0.956) 7.678 29.135 ( 2.545 0.094 0.870) 2.691 29.169 ( 4.718 1.863 1.521) 5.296 29.333 ( 0.898 -3.516 -1.595) 3.964 30.400 ( 19.623 6.941 -0.100) 20.815 30.546 ( 11.490 8.139 -0.444) 14.088 30.775 ( 10.985 -3.959 -1.411) 11.761 30.821 ( 8.793 -1.385 -0.467) 8.913 30.988 ( -18.090 2.561 0.715) 18.284 31.100 ( -16.025 1.285 0.902) 16.102 31.220 ( -15.849 -6.113 3.015) 17.253 31.404 ( -6.384 -12.883 -2.888) 14.665 32.756 ( 1.324 2.823 0.045) 3.118 32.872 ( 0.133 3.574 0.147) 3.579 32.948 ( 1.521 -5.169 0.273) 5.395 33.092 ( 0.222 -6.934 -0.099) 6.939 33.645 ( -0.879 1.378 -0.327) 1.667 33.817 ( 1.330 -3.463 5.097) 6.304 33.892 ( -3.812 1.545 -4.952) 6.438 34.038 ( -1.590 -2.576 0.673) 3.101 37.059 ( 3.127 5.940 -0.208) 6.716 37.166 ( 2.690 5.117 0.131) 5.782 37.453 ( 4.400 -8.665 -0.792) 9.750 37.530 ( 1.596 -7.795 0.319) 7.964 38.960 ( -2.422 -0.072 -1.116) 2.667 39.067 ( -1.634 -5.259 1.448) 5.695 39.520 ( 0.254 4.195 -0.292) 4.213 39.638 ( -0.246 0.276 0.694) 0.787 40.143 ( 1.242 6.694 -0.242) 6.813 40.310 ( 1.752 2.886 5.872) 6.773 40.342 ( 0.860 9.913 -5.447) 11.343 40.496 ( -1.884 2.068 1.962) 3.417 40.571 ( -1.094 0.830 -1.805) 2.268 40.938 ( 1.027 -4.827 -1.813) 5.257 41.095 ( -0.139 4.180 0.729) 4.245 41.576 ( 2.352 -17.459 2.777) 17.834 41.847 ( 1.318 0.127 -3.424) 3.671 42.004 ( 1.529 1.586 0.351) 2.231 42.105 ( -7.354 1.893 -0.079) 7.594 42.816 ( -1.722 -19.945 0.491) 20.025 43.308 ( 2.741 6.008 0.728) 6.644 43.603 ( 2.323 4.725 0.087) 5.266 43.620 ( 2.866 -7.889 0.847) 8.436 43.950 ( 2.523 -8.949 -1.126) 9.366 ======================= Grid point 21 (13/60) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 0.000 -14.153 0.000) 14.153 1.258 ( 0.000 14.153 0.000) 14.153 1.430 ( 0.000 -16.275 0.000) 16.275 1.430 ( 0.000 16.275 0.000) 16.275 1.984 ( 0.000 -2.496 0.000) 2.496 1.984 ( 0.000 2.496 0.000) 2.496 2.117 ( 0.000 -2.439 0.000) 2.439 2.117 ( 0.000 2.439 0.000) 2.439 2.592 ( 0.000 -5.345 0.000) 5.345 2.592 ( 0.000 5.345 0.000) 5.345 2.815 ( 0.000 -23.256 0.000) 23.256 2.815 ( 0.000 23.256 0.000) 23.256 2.930 ( 0.000 -0.175 0.000) 0.175 2.930 ( 0.000 0.175 0.000) 0.175 3.311 ( 0.000 -2.400 0.000) 2.400 3.311 ( 0.000 2.400 0.000) 2.400 3.381 ( 0.000 -9.171 0.000) 9.171 3.381 ( 0.000 9.171 0.000) 9.171 3.421 ( 0.000 -3.037 0.000) 3.037 3.421 ( 0.000 3.037 0.000) 3.037 3.655 ( 0.000 -0.707 0.000) 0.707 3.655 ( 0.000 0.707 0.000) 0.707 3.819 ( 0.000 -5.565 0.000) 5.565 3.819 ( 0.000 5.565 0.000) 5.565 3.938 ( 0.000 -8.386 0.000) 8.386 3.938 ( 0.000 8.386 0.000) 8.386 4.114 ( 0.000 -0.193 0.000) 0.193 4.114 ( 0.000 0.193 0.000) 0.193 4.252 ( 0.000 -4.828 0.000) 4.828 4.252 ( 0.000 4.828 0.000) 4.828 4.435 ( 0.000 -0.385 0.000) 0.385 4.435 ( 0.000 0.385 0.000) 0.385 4.470 ( 0.000 -1.295 0.000) 1.295 4.470 ( 0.000 1.295 0.000) 1.295 4.720 ( 0.000 -0.472 0.000) 0.472 4.720 ( 0.000 0.472 0.000) 0.472 4.806 ( 0.000 -2.409 0.000) 2.409 4.806 ( 0.000 2.409 0.000) 2.409 4.881 ( 0.000 -4.706 0.000) 4.706 4.881 ( 0.000 4.706 0.000) 4.706 5.551 ( 0.000 -1.233 0.000) 1.233 5.551 ( 0.000 1.233 0.000) 1.233 5.631 ( 0.000 -0.406 0.000) 0.406 5.631 ( 0.000 0.406 0.000) 0.406 5.830 ( 0.000 -1.319 0.000) 1.319 5.830 ( 0.000 1.319 0.000) 1.319 5.871 ( 0.000 -2.203 0.000) 2.203 5.871 ( 0.000 2.203 0.000) 2.203 6.480 ( 0.000 -0.222 0.000) 0.222 6.480 ( 0.000 0.222 0.000) 0.222 6.529 ( 0.000 -1.375 0.000) 1.375 6.529 ( 0.000 1.375 0.000) 1.375 6.785 ( 0.000 -3.238 0.000) 3.238 6.785 ( 0.000 3.238 0.000) 3.238 7.006 ( 0.000 -0.706 0.000) 0.706 7.006 ( 0.000 0.706 0.000) 0.706 7.539 ( 0.000 -7.002 0.000) 7.002 7.539 ( 0.000 7.002 0.000) 7.002 7.694 ( 0.000 -6.824 0.000) 6.824 7.694 ( 0.000 6.824 0.000) 6.824 8.386 ( 0.000 -4.954 0.000) 4.954 8.386 ( 0.000 4.954 0.000) 4.954 8.581 ( 0.000 -3.018 0.000) 3.018 8.581 ( 0.000 3.018 0.000) 3.018 9.504 ( 0.000 -0.620 0.000) 0.620 9.504 ( 0.000 0.620 0.000) 0.620 9.555 ( 0.000 -0.368 0.000) 0.368 9.555 ( 0.000 0.368 0.000) 0.368 10.197 ( 0.000 -2.241 0.000) 2.241 10.197 ( 0.000 2.241 0.000) 2.241 10.243 ( 0.000 -1.142 0.000) 1.142 10.243 ( 0.000 1.142 0.000) 1.142 11.534 ( 0.000 -8.292 0.000) 8.292 11.534 ( 0.000 8.292 0.000) 8.292 11.676 ( 0.000 -9.306 0.000) 9.306 11.676 ( 0.000 9.306 0.000) 9.306 12.142 ( 0.000 -9.740 0.000) 9.740 12.142 ( 0.000 9.740 0.000) 9.740 12.303 ( 0.000 -10.099 0.000) 10.099 12.303 ( 0.000 10.099 0.000) 10.099 12.737 ( 0.000 -2.358 0.000) 2.358 12.737 ( 0.000 2.358 0.000) 2.358 12.809 ( 0.000 -2.162 0.000) 2.162 12.809 ( 0.000 2.162 0.000) 2.162 14.294 ( 0.000 -6.458 0.000) 6.458 14.294 ( 0.000 6.458 0.000) 6.458 14.377 ( 0.000 -7.501 0.000) 7.501 14.377 ( 0.000 7.501 0.000) 7.501 14.662 ( 0.000 -6.481 0.000) 6.481 14.662 ( 0.000 6.481 0.000) 6.481 14.825 ( 0.000 -4.468 0.000) 4.468 14.825 ( 0.000 4.468 0.000) 4.468 16.070 ( 0.000 -2.811 0.000) 2.811 16.070 ( 0.000 2.811 0.000) 2.811 16.131 ( 0.000 -3.960 0.000) 3.960 16.131 ( 0.000 3.960 0.000) 3.960 16.787 ( 0.000 -10.159 0.000) 10.159 16.787 ( 0.000 10.159 0.000) 10.159 16.833 ( 0.000 -9.890 0.000) 9.890 16.833 ( 0.000 9.890 0.000) 9.890 18.031 ( 0.000 -6.271 0.000) 6.271 18.031 ( 0.000 6.271 0.000) 6.271 18.051 ( 0.000 -6.181 0.000) 6.181 18.051 ( 0.000 6.181 0.000) 6.181 18.695 ( 0.000 -9.767 0.000) 9.767 18.695 ( 0.000 9.767 0.000) 9.767 18.740 ( 0.000 -12.167 0.000) 12.167 18.740 ( 0.000 12.167 0.000) 12.167 19.551 ( 0.000 -0.570 0.000) 0.570 19.551 ( 0.000 0.570 0.000) 0.570 19.930 ( 0.000 -5.111 0.000) 5.111 19.930 ( 0.000 5.111 0.000) 5.111 19.989 ( 0.000 -4.735 0.000) 4.735 19.989 ( 0.000 4.735 0.000) 4.735 20.130 ( 0.000 -0.025 0.000) 0.025 20.130 ( 0.000 0.025 0.000) 0.025 20.502 ( 0.000 -2.352 0.000) 2.352 20.502 ( 0.000 2.352 0.000) 2.352 21.099 ( 0.000 -0.656 0.000) 0.656 21.099 ( 0.000 0.656 0.000) 0.656 21.539 ( 0.000 -1.779 0.000) 1.779 21.539 ( 0.000 1.779 0.000) 1.779 21.589 ( 0.000 -0.491 0.000) 0.491 21.589 ( 0.000 0.491 0.000) 0.491 21.904 ( 0.000 -4.181 0.000) 4.181 21.904 ( 0.000 4.181 0.000) 4.181 21.985 ( 0.000 -4.448 0.000) 4.448 21.985 ( 0.000 4.448 0.000) 4.448 22.465 ( 0.000 -8.180 0.000) 8.180 22.465 ( 0.000 8.180 0.000) 8.180 22.553 ( 0.000 -8.003 0.000) 8.003 22.553 ( 0.000 8.003 0.000) 8.003 25.113 ( 0.000 -10.695 0.000) 10.695 25.113 ( 0.000 10.695 0.000) 10.695 25.159 ( 0.000 -7.557 0.000) 7.557 25.159 ( 0.000 7.557 0.000) 7.557 26.234 ( 0.000 -1.616 0.000) 1.616 26.234 ( 0.000 1.616 0.000) 1.616 26.326 ( 0.000 -3.156 0.000) 3.156 26.326 ( 0.000 3.156 0.000) 3.156 26.910 ( 0.000 -2.142 0.000) 2.142 26.910 ( 0.000 2.142 0.000) 2.142 27.046 ( 0.000 -1.638 0.000) 1.638 27.046 ( 0.000 1.638 0.000) 1.638 27.809 ( 0.000 -13.607 0.000) 13.607 27.809 ( 0.000 13.607 0.000) 13.607 28.043 ( 0.000 -13.803 0.000) 13.803 28.043 ( 0.000 13.803 0.000) 13.803 28.622 ( 0.000 -1.534 0.000) 1.534 28.622 ( 0.000 1.534 0.000) 1.534 28.837 ( 0.000 -10.952 0.000) 10.952 28.837 ( 0.000 10.952 0.000) 10.952 29.846 ( 0.000 -8.562 0.000) 8.562 29.846 ( 0.000 8.562 0.000) 8.562 30.349 ( 0.000 -1.928 0.000) 1.928 30.349 ( 0.000 1.928 0.000) 1.928 31.841 ( 0.000 -0.042 0.000) 0.042 31.841 ( 0.000 0.042 0.000) 0.042 31.900 ( 0.000 -0.380 0.000) 0.380 31.900 ( 0.000 0.380 0.000) 0.380 32.603 ( 0.000 -2.007 0.000) 2.007 32.603 ( 0.000 2.007 0.000) 2.007 32.964 ( 0.000 -3.810 0.000) 3.810 32.964 ( 0.000 3.810 0.000) 3.810 33.849 ( 0.000 -5.085 0.000) 5.085 33.849 ( 0.000 5.085 0.000) 5.085 34.280 ( 0.000 -0.210 0.000) 0.210 34.280 ( 0.000 0.210 0.000) 0.210 36.774 ( 0.000 -0.815 0.000) 0.815 36.774 ( 0.000 0.815 0.000) 0.815 37.097 ( 0.000 -2.287 0.000) 2.287 37.097 ( 0.000 2.287 0.000) 2.287 39.153 ( 0.000 -4.997 0.000) 4.997 39.153 ( 0.000 4.997 0.000) 4.997 39.568 ( 0.000 -0.322 0.000) 0.322 39.568 ( 0.000 0.322 0.000) 0.322 40.166 ( 0.000 -4.988 0.000) 4.988 40.166 ( 0.000 4.988 0.000) 4.988 40.442 ( 0.000 -3.706 0.000) 3.706 40.442 ( 0.000 3.706 0.000) 3.706 40.656 ( 0.000 -0.126 0.000) 0.126 40.656 ( 0.000 0.126 0.000) 0.126 41.171 ( 0.000 -5.257 0.000) 5.257 41.171 ( 0.000 5.257 0.000) 5.257 42.022 ( 0.000 -6.849 0.000) 6.849 42.022 ( 0.000 6.849 0.000) 6.849 42.795 ( 0.000 -3.524 0.000) 3.524 42.795 ( 0.000 3.524 0.000) 3.524 43.055 ( 0.000 -3.375 0.000) 3.375 43.055 ( 0.000 3.375 0.000) 3.375 43.346 ( 0.000 -4.861 0.000) 4.861 43.346 ( 0.000 4.861 0.000) 4.861 ======================= Grid point 23 (14/60) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 12.898 -4.847 -1.079) 13.820 1.327 ( 12.898 4.847 -1.079) 13.820 1.853 ( 19.712 -5.114 -1.355) 20.410 1.853 ( 19.712 5.114 -1.355) 20.410 2.053 ( 10.258 -4.468 -6.339) 12.859 2.053 ( 10.258 4.468 -6.339) 12.859 2.339 ( 15.434 -6.206 3.517) 17.003 2.339 ( 15.434 6.206 3.517) 17.003 2.627 ( 4.015 -1.476 -0.845) 4.360 2.627 ( 4.015 1.476 -0.845) 4.360 2.821 ( 1.670 -19.213 0.839) 19.304 2.821 ( 1.670 19.213 0.839) 19.304 2.963 ( 0.263 -4.742 0.802) 4.816 2.963 ( 0.263 4.742 0.802) 4.816 3.172 ( -4.942 -1.910 -0.287) 5.306 3.172 ( -4.942 1.910 -0.287) 5.306 3.360 ( -0.586 -7.339 4.216) 8.485 3.360 ( -0.586 7.339 4.216) 8.485 3.570 ( 6.781 -3.272 3.115) 8.149 3.570 ( 6.781 3.272 3.115) 8.149 3.728 ( 1.920 -2.644 -1.399) 3.555 3.728 ( 1.920 2.644 -1.399) 3.555 3.818 ( 2.864 -5.088 -1.723) 6.088 3.818 ( 2.864 5.088 -1.723) 6.088 3.968 ( 4.231 -5.143 -0.247) 6.664 3.968 ( 4.231 5.143 -0.247) 6.664 4.121 ( 0.971 -2.127 1.626) 2.848 4.121 ( 0.971 2.127 1.626) 2.848 4.255 ( 0.084 -4.786 1.135) 4.919 4.255 ( 0.084 4.786 1.135) 4.919 4.452 ( 0.316 -1.427 2.158) 2.606 4.452 ( 0.316 1.427 2.158) 2.606 4.512 ( 5.066 -0.084 -2.802) 5.790 4.512 ( 5.066 0.084 -2.802) 5.790 4.659 ( -4.432 -0.665 -1.174) 4.633 4.659 ( -4.432 0.665 -1.174) 4.633 4.798 ( 3.809 -0.463 -1.870) 4.268 4.798 ( 3.809 0.463 -1.870) 4.268 5.031 ( 7.735 -2.829 -1.619) 8.394 5.031 ( 7.735 2.829 -1.619) 8.394 5.573 ( 0.209 -5.702 -1.110) 5.813 5.573 ( 0.209 5.702 -1.110) 5.813 5.655 ( 0.825 -1.577 0.090) 1.782 5.655 ( 0.825 1.577 0.090) 1.782 5.854 ( 0.015 -4.054 -0.422) 4.076 5.854 ( 0.015 4.054 -0.422) 4.076 5.956 ( 8.595 -1.617 5.049) 10.098 5.956 ( 8.595 1.617 5.049) 10.098 6.503 ( 6.139 -4.382 0.360) 7.551 6.503 ( 6.139 4.382 0.360) 7.551 6.576 ( 3.316 -0.731 -0.529) 3.436 6.576 ( 3.316 0.731 -0.529) 3.436 6.870 ( 7.613 -5.303 -1.705) 9.434 6.870 ( 7.613 5.303 -1.705) 9.434 6.982 ( -0.034 -2.291 -0.195) 2.300 6.982 ( -0.034 2.291 -0.195) 2.300 7.507 ( -3.229 -4.676 -1.956) 6.009 7.507 ( -3.229 4.676 -1.956) 6.009 7.648 ( -2.659 -6.601 0.004) 7.116 7.648 ( -2.659 6.601 0.004) 7.116 8.394 ( 1.013 -4.133 1.839) 4.636 8.394 ( 1.013 4.133 1.839) 4.636 8.573 ( -0.741 -3.105 -0.056) 3.193 8.573 ( -0.741 3.105 -0.056) 3.193 9.498 ( -0.756 -0.961 0.188) 1.237 9.498 ( -0.756 0.961 0.188) 1.237 9.559 ( 0.322 -2.073 0.145) 2.103 9.559 ( 0.322 2.073 0.145) 2.103 10.236 ( 3.099 -1.457 0.539) 3.467 10.236 ( 3.099 1.457 0.539) 3.467 10.272 ( 2.924 -0.588 -0.600) 3.042 10.272 ( 2.924 0.588 -0.600) 3.042 11.509 ( -2.400 -6.779 -0.307) 7.198 11.509 ( -2.400 6.779 -0.307) 7.198 11.648 ( -2.626 -7.283 0.467) 7.756 11.648 ( -2.626 7.283 0.467) 7.756 12.078 ( -5.627 -10.500 -0.280) 11.916 12.078 ( -5.627 10.500 -0.280) 11.916 12.233 ( -6.462 -10.254 -0.065) 12.121 12.233 ( -6.462 10.254 -0.065) 12.121 12.759 ( 1.497 -1.507 0.482) 2.179 12.759 ( 1.497 1.507 0.482) 2.179 12.822 ( 1.361 -1.243 -0.358) 1.878 12.822 ( 1.361 1.243 -0.358) 1.878 14.247 ( -5.049 -7.890 0.197) 9.369 14.247 ( -5.049 7.890 0.197) 9.369 14.306 ( -7.185 -8.390 -0.095) 11.047 14.306 ( -7.185 8.390 -0.095) 11.047 14.571 ( -7.303 -2.874 0.493) 7.864 14.571 ( -7.303 2.874 0.493) 7.864 14.705 ( -8.415 -2.039 -0.672) 8.684 14.705 ( -8.415 2.039 -0.672) 8.684 16.140 ( -0.709 -2.076 -0.348) 2.221 16.140 ( -0.709 2.076 -0.348) 2.221 16.153 ( -0.386 -2.086 0.148) 2.127 16.153 ( -0.386 2.086 0.148) 2.127 16.789 ( 4.892 -4.237 -0.119) 6.473 16.789 ( 4.892 4.237 -0.119) 6.473 16.859 ( 7.030 -4.816 0.122) 8.523 16.859 ( 7.030 4.816 0.122) 8.523 18.025 ( -0.415 -8.484 -0.175) 8.496 18.025 ( -0.415 8.484 -0.175) 8.496 18.078 ( 1.756 -9.283 0.471) 9.460 18.078 ( 1.756 9.283 0.471) 9.460 18.747 ( 3.835 -8.232 0.373) 9.089 18.747 ( 3.835 8.232 0.373) 9.089 18.771 ( 3.433 -10.585 -0.492) 11.138 18.771 ( 3.433 10.585 -0.492) 11.138 19.563 ( 1.037 -0.465 -0.039) 1.137 19.563 ( 1.037 0.465 -0.039) 1.137 19.944 ( 0.481 -6.199 0.004) 6.217 19.944 ( 0.481 6.199 0.004) 6.217 20.001 ( 1.267 -5.414 -0.070) 5.561 20.001 ( 1.267 5.414 -0.070) 5.561 20.153 ( 2.033 -0.644 0.175) 2.139 20.153 ( 2.033 0.644 0.175) 2.139 20.486 ( -1.421 -1.683 -0.182) 2.210 20.486 ( -1.421 1.683 -0.182) 2.210 21.091 ( -0.661 -0.339 -0.007) 0.743 21.091 ( -0.661 0.339 -0.007) 0.743 21.466 ( -7.498 -3.372 -1.196) 8.308 21.466 ( -7.498 3.372 -1.196) 8.308 21.525 ( -7.000 -3.436 0.562) 7.818 21.525 ( -7.000 3.436 0.562) 7.818 21.883 ( -3.401 -2.461 0.740) 4.263 21.883 ( -3.401 2.461 0.740) 4.263 21.961 ( -4.583 -3.207 -0.166) 5.596 21.961 ( -4.583 3.207 -0.166) 5.596 22.243 ( -15.657 -6.288 1.500) 16.940 22.243 ( -15.657 6.288 1.500) 16.940 22.286 ( -17.653 -5.964 -1.043) 18.663 22.286 ( -17.653 5.964 -1.043) 18.663 25.274 ( 12.077 -10.254 -0.419) 15.849 25.274 ( 12.077 10.254 -0.419) 15.849 25.329 ( 12.665 -8.245 -0.520) 15.121 25.329 ( 12.665 8.245 -0.520) 15.121 26.296 ( 5.520 -3.487 1.261) 6.649 26.296 ( 5.520 3.487 1.261) 6.649 26.365 ( 4.003 -5.083 -0.298) 6.477 26.365 ( 4.003 5.083 -0.298) 6.477 26.936 ( 1.662 -2.876 0.147) 3.325 26.936 ( 1.662 2.876 0.147) 3.325 27.040 ( -0.760 -2.275 -0.089) 2.401 27.040 ( -0.760 2.275 -0.089) 2.401 27.840 ( 2.595 -11.867 -0.151) 12.148 27.840 ( 2.595 11.867 -0.151) 12.148 28.042 ( 0.653 -12.074 -0.352) 12.097 28.042 ( 0.653 12.074 -0.352) 12.097 28.723 ( 8.572 -1.403 1.249) 8.776 28.723 ( 8.572 1.403 1.249) 8.776 28.946 ( 8.565 -9.676 -1.315) 12.989 28.946 ( 8.565 9.676 -1.315) 12.989 29.928 ( 7.745 -8.991 -0.850) 11.897 29.928 ( 7.745 8.991 -0.850) 11.897 30.404 ( 5.246 -5.282 0.206) 7.447 30.404 ( 5.246 5.282 0.206) 7.447 31.726 ( -10.288 -1.537 -1.010) 10.451 31.726 ( -10.288 1.537 -1.010) 10.451 31.790 ( -9.506 -1.629 0.114) 9.646 31.790 ( -9.506 1.629 0.114) 9.646 32.673 ( 5.260 -2.868 0.250) 5.996 32.673 ( 5.260 2.868 0.250) 5.996 32.957 ( -0.306 -3.916 0.714) 3.992 32.957 ( -0.306 3.916 0.714) 3.992 33.808 ( -3.280 -4.486 0.717) 5.604 33.808 ( -3.280 4.486 0.717) 5.604 34.205 ( -6.214 -1.369 -0.310) 6.370 34.205 ( -6.214 1.369 -0.310) 6.370 36.860 ( 7.445 -2.132 -0.239) 7.748 36.860 ( 7.445 2.132 -0.239) 7.748 37.165 ( 5.584 -4.668 -0.275) 7.284 37.165 ( 5.584 4.668 -0.275) 7.284 39.135 ( -2.532 -2.837 2.943) 4.808 39.135 ( -2.532 2.837 2.943) 4.808 39.562 ( 0.402 -2.172 -1.637) 2.750 39.562 ( 0.402 2.172 -1.637) 2.750 40.189 ( 1.722 -4.772 0.369) 5.086 40.189 ( 1.722 4.772 0.369) 5.086 40.450 ( 0.913 -6.075 0.708) 6.184 40.450 ( 0.913 6.075 0.708) 6.184 40.691 ( 2.624 -2.802 -2.417) 4.536 40.691 ( 2.624 2.802 -2.417) 4.536 41.186 ( 1.244 -6.327 3.257) 7.224 41.186 ( 1.244 6.327 3.257) 7.224 41.983 ( -2.689 -7.105 -4.816) 8.995 41.983 ( -2.689 7.105 -4.816) 8.995 42.688 ( -8.659 -9.112 3.710) 13.106 42.688 ( -8.659 9.112 3.710) 13.106 43.146 ( 8.031 -5.705 -0.354) 9.858 43.146 ( 8.031 5.705 -0.354) 9.858 43.463 ( 8.653 -7.602 -0.551) 11.531 43.463 ( 8.653 7.602 -0.551) 11.531 ======================= Grid point 25 (15/60) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 16.497 -4.694 -1.822) 17.248 1.674 ( 16.497 4.694 -1.822) 17.248 2.085 ( 7.648 -5.878 -1.279) 9.730 2.085 ( 7.648 5.878 -1.279) 9.730 2.265 ( 3.837 -5.030 -1.489) 6.499 2.265 ( 3.837 5.030 -1.489) 6.499 2.575 ( 3.890 -5.847 -0.947) 7.086 2.575 ( 3.890 5.847 -0.947) 7.086 2.684 ( -0.847 -9.282 2.104) 9.555 2.684 ( -0.847 9.282 2.104) 9.555 2.910 ( 8.392 -4.117 2.566) 9.693 2.910 ( 8.392 4.117 2.566) 9.693 3.022 ( 4.503 -11.413 -2.290) 12.481 3.022 ( 4.503 11.413 -2.290) 12.481 3.212 ( 7.215 -3.236 1.335) 8.019 3.212 ( 7.215 3.236 1.335) 8.019 3.367 ( 3.145 -3.415 0.782) 4.708 3.367 ( 3.145 3.415 0.782) 4.708 3.669 ( 2.561 -1.871 1.516) 3.515 3.669 ( 2.561 1.871 1.516) 3.515 3.737 ( 0.983 -0.522 1.962) 2.256 3.737 ( 0.983 0.522 1.962) 2.256 3.879 ( 2.520 -5.894 -3.216) 7.172 3.879 ( 2.520 5.894 -3.216) 7.172 4.086 ( 2.922 -3.308 0.343) 4.427 4.086 ( 2.922 3.308 0.343) 4.427 4.154 ( 1.459 -0.456 4.421) 4.677 4.154 ( 1.459 0.456 4.421) 4.677 4.265 ( 1.040 -2.420 -1.802) 3.191 4.265 ( 1.040 2.420 -1.802) 3.191 4.473 ( -0.406 -2.736 3.407) 4.389 4.473 ( -0.406 2.736 3.407) 4.389 4.574 ( 2.074 -2.669 -1.010) 3.528 4.574 ( 2.074 2.669 -1.010) 3.528 4.653 ( 2.549 -4.278 -3.167) 5.901 4.653 ( 2.549 4.278 -3.167) 5.901 4.915 ( 6.974 -1.232 -3.428) 7.868 4.915 ( 6.974 1.232 -3.428) 7.868 5.142 ( 2.216 -1.894 -1.293) 3.189 5.142 ( 2.216 1.894 -1.293) 3.189 5.454 ( -9.487 -2.339 4.093) 10.594 5.454 ( -9.487 2.339 4.093) 10.594 5.613 ( -5.301 -2.391 -1.582) 6.027 5.613 ( -5.301 2.391 -1.582) 6.027 5.945 ( 7.761 -3.173 -3.148) 8.956 5.945 ( 7.761 3.173 -3.148) 8.956 6.149 ( 8.248 -5.101 2.909) 10.125 6.149 ( 8.248 5.101 2.909) 10.125 6.551 ( 2.061 -3.923 3.527) 5.664 6.551 ( 2.061 3.923 3.527) 5.664 6.779 ( 5.843 -2.248 -5.157) 8.111 6.779 ( 5.843 2.248 -5.157) 8.111 7.017 ( 5.757 -7.191 2.782) 9.622 7.017 ( 5.757 7.191 2.782) 9.622 7.149 ( 10.189 -3.122 -1.371) 10.744 7.149 ( 10.189 3.122 -1.371) 10.744 7.515 ( 11.774 -8.033 -1.435) 14.326 7.515 ( 11.774 8.033 -1.435) 14.326 7.671 ( 8.381 -0.611 0.506) 8.418 7.671 ( 8.381 0.611 0.506) 8.418 8.443 ( 3.315 -3.405 0.768) 4.814 8.443 ( 3.315 3.405 0.768) 4.814 8.553 ( -0.807 -2.424 0.322) 2.575 8.553 ( -0.807 2.424 0.322) 2.575 9.474 ( -1.378 -1.615 0.143) 2.127 9.474 ( -1.378 1.615 0.143) 2.127 9.554 ( -1.225 -2.368 0.189) 2.673 9.554 ( -1.225 2.368 0.189) 2.673 10.302 ( 2.615 -1.750 2.016) 3.737 10.302 ( 2.615 1.750 2.016) 3.737 10.360 ( 4.757 -2.426 -2.024) 5.711 10.360 ( 4.757 2.426 -2.024) 5.711 11.429 ( -4.915 -2.841 -0.372) 5.689 11.429 ( -4.915 2.841 -0.372) 5.689 11.563 ( -5.521 -2.398 0.659) 6.055 11.563 ( -5.521 2.398 0.659) 6.055 11.930 ( -7.318 -13.746 -0.918) 15.600 11.930 ( -7.318 13.746 -0.918) 15.600 12.037 ( -11.206 -12.702 0.489) 16.946 12.037 ( -11.206 12.702 0.489) 16.946 12.785 ( 0.783 -0.368 0.016) 0.866 12.785 ( 0.783 0.368 0.016) 0.866 12.858 ( 1.534 -1.050 0.036) 1.860 12.858 ( 1.534 1.050 0.036) 1.860 14.044 ( -13.162 -9.337 -0.251) 16.139 14.044 ( -13.162 9.337 -0.251) 16.139 14.079 ( -12.646 -8.958 0.449) 15.504 14.079 ( -12.646 8.958 0.449) 15.504 14.433 ( -4.445 -0.574 0.215) 4.487 14.433 ( -4.445 0.574 0.215) 4.487 14.566 ( -4.150 -1.770 -0.628) 4.555 14.566 ( -4.150 1.770 -0.628) 4.555 15.996 ( -9.515 -5.390 0.256) 10.939 15.996 ( -9.515 5.390 0.256) 10.939 16.019 ( -8.806 -6.585 -0.174) 10.997 16.019 ( -8.806 6.585 -0.174) 10.997 17.070 ( 17.260 -4.323 -0.242) 17.795 17.070 ( 17.260 4.323 -0.242) 17.795 17.172 ( 18.262 -3.519 0.294) 18.600 17.172 ( 18.262 3.519 0.294) 18.600 18.036 ( 2.138 -10.982 -0.219) 11.190 18.036 ( 2.138 10.982 -0.219) 11.190 18.104 ( 0.848 -11.655 0.236) 11.688 18.104 ( 0.848 11.655 0.236) 11.688 18.848 ( 6.076 -8.837 0.671) 10.745 18.848 ( 6.076 8.837 0.671) 10.745 18.884 ( 7.033 -7.264 -0.652) 10.131 18.884 ( 7.033 7.264 -0.652) 10.131 19.591 ( 1.488 -0.648 -0.045) 1.624 19.591 ( 1.488 0.648 -0.045) 1.624 19.927 ( -2.311 -4.956 -0.135) 5.470 19.927 ( -2.311 4.956 -0.135) 5.470 20.016 ( -1.088 -5.041 -0.022) 5.157 20.016 ( -1.088 5.041 -0.022) 5.157 20.209 ( 2.821 -1.412 0.447) 3.186 20.209 ( 2.821 1.412 0.447) 3.186 20.440 ( -3.156 -1.590 -0.407) 3.558 20.440 ( -3.156 1.590 -0.407) 3.558 21.026 ( -10.690 -3.383 0.056) 11.212 21.026 ( -10.690 3.383 0.056) 11.212 21.156 ( -21.391 -11.486 -0.609) 24.288 21.156 ( -21.391 11.486 -0.609) 24.288 21.240 ( -12.824 -5.103 0.362) 13.807 21.240 ( -12.824 5.103 0.362) 13.807 21.747 ( -5.815 -1.290 0.706) 5.998 21.747 ( -5.815 1.290 0.706) 5.998 21.755 ( -8.243 -1.451 -0.446) 8.382 21.755 ( -8.243 1.451 -0.446) 8.382 22.062 ( -2.194 -2.544 -0.232) 3.367 22.062 ( -2.194 2.544 -0.232) 3.367 22.111 ( -1.622 -2.507 0.369) 3.009 22.111 ( -1.622 2.507 0.369) 3.009 25.510 ( 8.843 -13.661 -0.341) 16.276 25.510 ( 8.843 13.661 -0.341) 16.276 25.559 ( 7.487 -13.134 -0.448) 15.125 25.559 ( 7.487 13.134 -0.448) 15.125 26.451 ( 7.777 -4.876 1.653) 9.327 26.451 ( 7.777 4.876 1.653) 9.327 26.487 ( 6.620 -4.952 -0.494) 8.281 26.487 ( 6.620 4.952 -0.494) 8.281 26.942 ( -1.380 -3.502 -1.539) 4.067 26.942 ( -1.380 3.502 -1.539) 4.067 27.028 ( 0.014 -4.601 1.558) 4.857 27.028 ( 0.014 4.601 1.558) 4.857 27.894 ( 1.955 -9.599 -0.388) 9.803 27.894 ( 1.955 9.599 -0.388) 9.803 28.080 ( 2.604 -11.743 -0.129) 12.029 28.080 ( 2.604 11.743 -0.129) 12.029 28.938 ( 10.240 -3.204 0.784) 10.758 28.938 ( 10.240 3.204 0.784) 10.758 29.128 ( 7.653 -7.235 -0.784) 10.561 29.128 ( 7.653 7.235 -0.784) 10.561 30.176 ( 15.484 -8.656 -0.648) 17.751 30.176 ( 15.484 8.656 -0.648) 17.751 30.567 ( 9.565 -5.996 0.228) 11.291 30.567 ( 9.565 5.996 0.228) 11.291 31.444 ( -15.280 -3.988 -1.838) 15.898 31.444 ( -15.280 3.988 -1.838) 15.898 31.510 ( -16.090 -3.429 0.939) 16.478 31.510 ( -16.090 3.429 0.939) 16.478 32.778 ( 4.020 -4.127 0.319) 5.770 32.778 ( 4.020 4.127 0.319) 5.770 32.960 ( 0.298 -4.527 0.331) 4.549 32.960 ( 0.298 4.527 0.331) 4.549 33.742 ( -2.479 -3.855 0.795) 4.651 33.742 ( -2.479 3.855 0.795) 4.651 34.062 ( -6.197 -2.690 -0.271) 6.761 34.062 ( -6.197 2.690 -0.271) 6.761 37.048 ( 9.031 -4.657 -0.432) 10.171 37.048 ( 9.031 4.657 -0.432) 10.171 37.293 ( 5.542 -5.954 -0.089) 8.134 37.293 ( 5.542 5.954 -0.089) 8.134 39.055 ( -4.344 -1.722 0.909) 4.760 39.055 ( -4.344 1.722 0.909) 4.760 39.586 ( 1.290 -3.380 0.045) 3.618 39.586 ( 1.290 3.380 0.045) 3.618 40.224 ( 1.386 -4.252 1.261) 4.647 40.224 ( 1.386 4.252 1.261) 4.647 40.484 ( 1.999 -5.583 -1.378) 6.089 40.484 ( 1.999 5.583 -1.378) 6.089 40.730 ( 0.974 -8.676 -1.515) 8.861 40.730 ( 0.974 8.676 -1.515) 8.861 41.226 ( 1.875 -8.927 3.882) 9.914 41.226 ( 1.875 8.927 3.882) 9.914 41.924 ( -1.967 -6.601 -4.792) 8.390 41.924 ( -1.967 6.601 -4.792) 8.390 42.509 ( -7.401 -15.371 2.516) 17.244 42.509 ( -7.401 15.371 2.516) 17.244 43.330 ( 7.916 -7.278 0.659) 10.773 43.330 ( 7.916 7.278 0.659) 10.773 43.643 ( 7.355 -8.837 -0.669) 11.517 43.643 ( 7.355 8.837 -0.669) 11.517 ======================= Grid point 27 (16/60) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( 7.057 -5.503 -1.072) 9.013 1.937 ( 7.057 5.503 -1.072) 9.013 2.170 ( 0.575 -7.490 -0.838) 7.558 2.170 ( 0.575 7.490 -0.838) 7.558 2.287 ( 0.276 -7.753 -0.373) 7.767 2.287 ( 0.276 7.753 -0.373) 7.767 2.574 ( -1.108 -1.056 -1.831) 2.386 2.574 ( -1.108 1.056 -1.831) 2.386 2.681 ( 0.280 -3.584 4.133) 5.478 2.681 ( 0.280 3.584 4.133) 5.478 3.033 ( 0.254 -10.090 -1.112) 10.154 3.033 ( 0.254 10.090 -1.112) 10.154 3.129 ( 6.565 -3.466 1.683) 7.612 3.129 ( 6.565 3.466 1.683) 7.612 3.311 ( 1.794 -3.306 1.234) 3.958 3.311 ( 1.794 3.306 1.234) 3.958 3.521 ( 5.880 -5.861 -0.767) 8.338 3.521 ( 5.880 5.861 -0.767) 8.338 3.716 ( 1.495 -4.868 -0.785) 5.152 3.716 ( 1.495 4.868 -0.785) 5.152 3.786 ( 4.199 -2.234 -1.199) 4.905 3.786 ( 4.199 2.234 -1.199) 4.905 3.927 ( 2.203 -3.546 -2.352) 4.792 3.927 ( 2.203 3.546 -2.352) 4.792 4.071 ( -3.564 -4.181 1.949) 5.830 4.071 ( -3.564 4.181 1.949) 5.830 4.181 ( 0.270 -4.036 3.529) 5.368 4.181 ( 0.270 4.036 3.529) 5.368 4.263 ( -1.601 -1.041 -1.402) 2.369 4.263 ( -1.601 1.041 -1.402) 2.369 4.468 ( 1.826 -4.047 2.211) 4.961 4.468 ( 1.826 4.047 2.211) 4.961 4.605 ( -1.024 -2.576 -2.086) 3.469 4.605 ( -1.024 2.576 -2.086) 3.469 4.680 ( 0.987 -3.102 0.039) 3.256 4.680 ( 0.987 3.102 0.039) 3.256 4.994 ( -0.603 -4.086 -1.541) 4.408 4.994 ( -0.603 4.086 -1.541) 4.408 5.156 ( 1.424 -2.599 1.662) 3.398 5.156 ( 1.424 2.599 1.662) 3.398 5.286 ( -5.240 -3.680 -1.284) 6.531 5.286 ( -5.240 3.680 -1.284) 6.531 5.512 ( -2.483 -4.016 0.189) 4.726 5.512 ( -2.483 4.016 0.189) 4.726 6.052 ( 1.894 -5.667 -1.773) 6.233 6.052 ( 1.894 5.667 -1.773) 6.233 6.296 ( 4.373 -6.564 0.476) 7.902 6.296 ( 4.373 6.564 0.476) 7.902 6.650 ( 5.123 -3.870 1.525) 6.599 6.650 ( 5.123 3.870 1.525) 6.599 6.825 ( 0.613 -2.099 -1.564) 2.689 6.825 ( 0.613 2.099 -1.564) 2.689 6.996 ( -2.973 -8.317 0.191) 8.835 6.996 ( -2.973 8.317 0.191) 8.835 7.205 ( -2.177 -7.546 0.850) 7.900 7.205 ( -2.177 7.546 0.850) 7.900 7.945 ( 16.160 -6.918 1.958) 17.688 7.945 ( 16.160 6.918 1.958) 17.688 8.004 ( 14.697 -8.222 -1.590) 16.915 8.004 ( 14.697 8.222 -1.590) 16.915 8.480 ( -0.667 -0.721 -2.552) 2.734 8.480 ( -0.667 0.721 -2.552) 2.734 8.600 ( 5.180 -3.846 2.190) 6.813 8.600 ( 5.180 3.846 2.190) 6.813 9.448 ( -0.577 -1.514 0.259) 1.641 9.448 ( -0.577 1.514 0.259) 1.641 9.499 ( -3.426 -0.387 -0.213) 3.454 9.499 ( -3.426 0.387 -0.213) 3.454 10.342 ( 0.721 -2.450 1.425) 2.925 10.342 ( 0.721 2.450 1.425) 2.925 10.437 ( 2.099 -2.546 -1.325) 3.556 10.437 ( 2.099 2.546 -1.325) 3.556 11.328 ( -3.061 -1.163 -0.238) 3.283 11.328 ( -3.061 1.163 -0.238) 3.283 11.420 ( -6.451 -0.343 0.314) 6.468 11.420 ( -6.451 0.343 0.314) 6.468 11.803 ( -3.674 -14.683 -0.871) 15.161 11.803 ( -3.674 14.683 -0.871) 15.161 11.835 ( -5.417 -14.592 0.732) 15.582 11.835 ( -5.417 14.592 0.732) 15.582 12.795 ( 0.216 -1.216 -0.322) 1.277 12.795 ( 0.216 1.216 -0.322) 1.277 12.875 ( 0.099 -1.777 0.357) 1.815 12.875 ( 0.099 1.777 0.357) 1.815 13.809 ( -6.434 -10.539 -0.508) 12.358 13.809 ( -6.434 10.539 -0.508) 12.358 13.851 ( -6.698 -9.431 0.534) 11.580 13.851 ( -6.698 9.431 0.534) 11.580 14.378 ( -1.105 -0.420 0.042) 1.183 14.378 ( -1.105 0.420 0.042) 1.183 14.512 ( -1.147 -1.355 -0.214) 1.789 14.512 ( -1.147 1.355 -0.214) 1.789 15.840 ( -4.001 -2.195 0.145) 4.566 15.840 ( -4.001 2.195 0.145) 4.566 15.881 ( -3.464 -2.941 -0.043) 4.545 15.881 ( -3.464 2.941 -0.043) 4.545 17.354 ( 7.194 -9.425 -0.414) 11.864 17.354 ( 7.194 9.425 -0.414) 11.864 17.466 ( 7.196 -7.225 0.487) 10.209 17.466 ( 7.196 7.225 0.487) 10.209 18.099 ( 1.997 -9.500 0.618) 9.727 18.099 ( 1.997 9.499 0.618) 9.727 18.144 ( 2.832 -9.706 -0.724) 10.137 18.144 ( 2.832 9.706 -0.724) 10.137 19.008 ( 7.167 -6.193 0.332) 9.478 19.008 ( 7.167 6.193 0.332) 9.478 19.062 ( 8.303 -5.014 -0.288) 9.704 19.062 ( 8.303 5.014 -0.288) 9.704 19.620 ( 0.722 -0.736 0.126) 1.039 19.620 ( 0.722 0.736 0.126) 1.039 19.816 ( -7.340 -2.995 -0.754) 7.963 19.816 ( -7.340 2.995 -0.754) 7.963 19.935 ( -5.056 -2.035 0.861) 5.518 19.935 ( -5.056 2.035 0.861) 5.518 20.239 ( -1.126 -2.168 -0.242) 2.454 20.239 ( -1.126 2.168 -0.242) 2.454 20.357 ( -2.508 -11.346 -0.222) 11.622 20.357 ( -2.508 11.346 -0.222) 11.622 20.699 ( -10.021 -10.812 0.338) 14.746 20.699 ( -10.021 10.812 0.338) 14.746 20.764 ( -10.110 -14.944 -0.237) 18.044 20.764 ( -10.110 14.944 -0.237) 18.044 21.168 ( -0.023 -0.732 0.073) 0.736 21.168 ( -0.023 0.732 0.073) 0.736 21.658 ( -1.750 -0.132 -0.145) 1.761 21.658 ( -1.750 0.132 -0.145) 1.761 21.683 ( -1.180 -1.460 0.151) 1.883 21.683 ( -1.180 1.460 0.151) 1.883 22.047 ( -0.066 -2.062 -0.009) 2.063 22.047 ( -0.066 2.062 -0.009) 2.063 22.098 ( -0.195 -1.765 0.032) 1.776 22.098 ( -0.195 1.765 0.032) 1.776 25.634 ( 2.787 -17.532 -0.026) 17.752 25.634 ( 2.787 17.532 -0.026) 17.752 25.651 ( 1.879 -16.742 -0.221) 16.848 25.651 ( 1.879 16.742 -0.221) 16.848 26.563 ( 2.429 -3.768 -0.315) 4.494 26.563 ( 2.429 3.768 -0.315) 4.494 26.621 ( 4.388 -5.214 1.056) 6.896 26.621 ( 4.388 5.214 1.056) 6.896 26.902 ( -1.404 -2.621 -1.122) 3.178 26.902 ( -1.404 2.621 -1.122) 3.178 27.029 ( -0.222 -3.111 0.890) 3.243 27.029 ( -0.222 3.111 0.890) 3.243 27.918 ( 0.485 -12.528 -0.186) 12.539 27.918 ( 0.485 12.528 -0.186) 12.539 28.125 ( 1.190 -14.674 -0.082) 14.722 28.125 ( 1.190 14.674 -0.082) 14.722 29.112 ( 4.792 -1.428 0.185) 5.004 29.112 ( 4.792 1.428 0.185) 5.004 29.246 ( 3.050 -4.383 -0.192) 5.343 29.246 ( 3.050 4.383 -0.192) 5.343 30.559 ( 19.074 -6.979 -0.213) 20.312 30.559 ( 19.074 6.979 -0.213) 20.312 30.777 ( 7.919 -3.867 0.166) 8.814 30.777 ( 7.919 3.867 0.166) 8.814 31.077 ( -17.446 -5.844 0.770) 18.415 31.077 ( -17.446 5.844 0.770) 18.415 31.185 ( -12.131 -6.687 -1.147) 13.900 31.185 ( -12.131 6.687 -1.147) 13.900 32.837 ( 1.417 -4.839 0.180) 5.046 32.837 ( 1.417 4.839 0.180) 5.046 32.964 ( 0.058 -5.162 -0.066) 5.163 32.964 ( 0.058 5.162 -0.066) 5.163 33.712 ( -0.581 -4.708 0.475) 4.767 33.712 ( -0.581 4.708 0.475) 4.767 33.967 ( -2.353 -3.978 -0.165) 4.625 33.967 ( -2.353 3.978 -0.165) 4.625 37.197 ( 4.058 -5.549 -0.295) 6.881 37.197 ( 4.058 5.549 -0.295) 6.881 37.376 ( 2.026 -4.914 0.124) 5.317 37.376 ( 2.026 4.914 0.124) 5.317 38.985 ( -1.843 -2.527 0.046) 3.128 38.985 ( -1.843 2.527 0.046) 3.128 39.602 ( 0.293 -3.258 0.156) 3.275 39.602 ( 0.293 3.258 0.156) 3.275 40.251 ( 0.832 -3.890 0.746) 4.047 40.251 ( 0.832 3.890 0.746) 4.047 40.514 ( 0.725 -1.904 -1.074) 2.303 40.514 ( 0.725 1.904 -1.074) 2.303 40.734 ( -0.100 -13.800 -0.342) 13.805 40.734 ( -0.100 13.800 -0.342) 13.805 41.261 ( 0.815 -11.537 1.637) 11.681 41.261 ( 0.815 11.537 1.637) 11.681 41.894 ( -0.545 -4.646 -1.775) 5.003 41.894 ( -0.545 4.646 -1.775) 5.003 42.402 ( -2.620 -18.611 0.776) 18.810 42.402 ( -2.620 18.611 0.776) 18.810 43.451 ( 2.951 -7.677 0.376) 8.233 43.451 ( 2.951 7.677 0.376) 8.233 43.753 ( 2.741 -9.038 -0.305) 9.450 43.753 ( 2.741 9.038 -0.305) 9.450 ======================= Grid point 49 (17/60) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.380 ( 5.302 0.000 20.657) 21.326 0.620 ( -7.979 0.000 29.181) 30.252 0.808 ( -25.947 0.000 30.811) 40.281 1.285 ( 4.190 0.000 21.058) 21.470 1.815 ( 9.189 0.000 -21.882) 23.733 2.008 ( 1.861 0.000 6.922) 7.168 2.196 ( 0.675 0.000 -6.608) 6.643 2.386 ( -0.682 0.000 3.154) 3.227 2.602 ( -6.366 0.000 -20.655) 21.614 2.703 ( -0.628 0.000 7.644) 7.669 2.709 ( 3.788 0.000 -13.079) 13.616 2.774 ( 9.151 0.000 -1.751) 9.317 2.849 ( -4.023 0.000 -2.610) 4.795 2.962 ( -3.624 0.000 -1.511) 3.926 3.209 ( 1.923 0.000 7.343) 7.591 3.276 ( -0.593 0.000 4.052) 4.096 3.353 ( 3.855 0.000 2.461) 4.574 3.394 ( -1.840 0.000 -0.987) 2.088 3.506 ( -6.329 0.000 0.318) 6.337 3.589 ( 0.996 0.000 -2.345) 2.548 3.595 ( 2.444 0.000 -5.349) 5.881 3.698 ( 1.065 0.000 -2.733) 2.933 3.867 ( 1.442 0.000 -0.815) 1.657 3.873 ( -0.147 0.000 2.372) 2.377 4.076 ( -1.325 0.000 -0.450) 1.399 4.089 ( 3.055 0.000 -1.466) 3.389 4.143 ( 0.347 0.000 5.044) 5.056 4.275 ( -1.675 0.000 2.815) 3.275 4.358 ( -0.680 0.000 -2.355) 2.451 4.360 ( 4.530 0.000 3.362) 5.641 4.441 ( -6.822 0.000 5.251) 8.609 4.445 ( -4.626 0.000 -1.013) 4.736 4.485 ( 0.123 0.000 -1.643) 1.648 4.519 ( 2.013 0.000 0.854) 2.187 4.549 ( -1.190 0.000 1.135) 1.644 4.585 ( 1.590 0.000 -2.512) 2.972 4.736 ( -8.915 0.000 -9.670) 13.153 4.737 ( 2.133 0.000 -1.354) 2.526 5.014 ( 1.176 0.000 5.114) 5.248 5.202 ( 5.745 0.000 -4.529) 7.315 5.375 ( 4.051 0.000 0.913) 4.153 5.415 ( 0.276 0.000 -4.570) 4.579 5.428 ( -1.326 0.000 3.963) 4.179 5.535 ( 12.209 0.000 8.790) 15.044 5.566 ( 0.004 0.000 -2.760) 2.760 5.697 ( 2.925 0.000 4.351) 5.243 5.877 ( -0.223 0.000 -0.040) 0.226 6.054 ( -17.556 0.000 -7.450) 19.072 6.283 ( -5.956 0.000 2.568) 6.486 6.380 ( 1.275 0.000 -0.517) 1.376 6.463 ( 1.173 0.000 -0.452) 1.257 6.528 ( -6.135 0.000 -5.428) 8.192 6.627 ( -2.608 0.000 -4.577) 5.268 6.723 ( 0.144 0.000 -8.453) 8.455 7.029 ( 4.709 0.000 16.508) 17.166 7.036 ( 7.548 0.000 14.511) 16.356 7.344 ( -4.286 0.000 1.954) 4.711 7.357 ( -6.389 0.000 11.774) 13.396 7.744 ( 5.495 0.000 -13.297) 14.387 7.873 ( 1.831 0.000 -11.695) 11.837 8.372 ( 0.300 0.000 -1.869) 1.893 8.415 ( 3.086 0.000 -3.640) 4.772 8.796 ( -1.896 0.000 4.549) 4.928 8.835 ( -1.487 0.000 2.505) 2.913 9.473 ( 1.316 0.000 0.200) 1.331 9.493 ( -1.376 0.000 -0.570) 1.489 9.540 ( -0.249 0.000 0.145) 0.288 9.547 ( 0.551 0.000 -0.229) 0.597 10.155 ( 0.453 0.000 0.147) 0.476 10.170 ( -0.517 0.000 -0.510) 0.726 10.301 ( 1.657 0.000 0.769) 1.826 10.319 ( -1.846 0.000 -0.075) 1.848 11.024 ( -0.060 0.000 1.783) 1.784 11.054 ( 0.289 0.000 0.394) 0.489 11.672 ( -0.583 0.000 0.019) 0.583 11.791 ( 1.117 0.000 -6.162) 6.262 12.150 ( 0.011 0.000 3.083) 3.083 12.163 ( 0.057 0.000 1.402) 1.403 12.555 ( -0.797 0.000 1.581) 1.770 12.671 ( 2.402 0.000 -3.758) 4.460 12.819 ( -1.396 0.000 1.427) 1.996 12.844 ( 0.313 0.000 -0.082) 0.324 13.241 ( 0.480 0.000 0.110) 0.493 13.247 ( -0.367 0.000 -0.179) 0.408 13.647 ( 0.209 0.000 1.087) 1.107 13.683 ( -0.395 0.000 -0.549) 0.677 14.470 ( -1.705 0.000 -0.735) 1.857 14.472 ( 2.118 0.000 -1.565) 2.633 14.593 ( -1.648 0.000 4.771) 5.048 14.728 ( 0.373 0.000 -1.828) 1.866 14.950 ( -0.307 0.000 0.658) 0.726 14.992 ( 0.160 0.000 -1.376) 1.386 15.990 ( -0.633 0.000 0.549) 0.838 16.000 ( 0.930 0.000 0.171) 0.945 16.274 ( 2.441 0.000 0.720) 2.545 16.304 ( -14.582 0.000 0.212) 14.583 16.308 ( 14.996 0.000 -0.390) 15.001 16.346 ( -1.794 0.000 -1.203) 2.160 16.763 ( 0.347 0.000 0.376) 0.511 16.788 ( -0.068 0.000 -0.755) 0.758 17.627 ( -1.679 0.000 0.111) 1.682 17.647 ( 1.869 0.000 -0.818) 2.041 18.208 ( 0.297 0.000 0.250) 0.388 18.210 ( -0.965 0.000 0.123) 0.972 18.687 ( 2.716 0.000 0.504) 2.762 18.714 ( 0.438 0.000 -0.676) 0.805 19.232 ( -1.006 0.000 0.274) 1.043 19.239 ( 0.974 0.000 -0.050) 0.975 19.527 ( -0.218 0.000 0.180) 0.283 19.536 ( 0.297 0.000 -0.227) 0.374 19.943 ( 0.552 0.000 1.358) 1.466 20.004 ( -1.344 0.000 -1.365) 1.916 20.062 ( 1.228 0.000 0.720) 1.423 20.098 ( -0.190 0.000 -0.960) 0.979 20.285 ( 0.312 0.000 1.078) 1.122 20.327 ( -2.686 0.000 -0.817) 2.807 20.419 ( -0.134 0.000 0.144) 0.197 20.428 ( -0.769 0.000 -0.258) 0.811 21.000 ( 0.622 0.000 0.161) 0.643 21.000 ( -0.598 0.000 0.157) 0.618 21.343 ( -1.439 0.000 0.352) 1.482 21.357 ( 1.685 0.000 -0.249) 1.703 21.557 ( -0.992 0.000 0.760) 1.250 21.591 ( -0.549 0.000 -0.749) 0.929 21.757 ( -0.195 0.000 0.194) 0.275 21.761 ( 0.274 0.000 -0.030) 0.276 22.032 ( 0.121 0.000 0.667) 0.678 22.063 ( -1.223 0.000 -0.688) 1.403 22.301 ( 1.083 0.000 0.746) 1.315 22.337 ( -0.724 0.000 -0.893) 1.150 23.400 ( 4.981 0.000 0.343) 4.992 23.415 ( -1.240 0.000 -0.335) 1.285 24.249 ( 2.187 0.000 0.997) 2.403 24.290 ( 0.608 0.000 -0.824) 1.024 25.245 ( 1.921 0.000 1.915) 2.713 25.333 ( -2.215 0.000 -2.053) 3.020 26.246 ( 0.799 0.000 0.736) 1.086 26.288 ( -1.574 0.000 -1.191) 1.974 26.562 ( 0.769 0.000 0.907) 1.189 26.591 ( -2.946 0.000 -0.580) 3.002 26.683 ( 2.707 0.000 0.282) 2.722 26.692 ( -3.726 0.000 -0.001) 3.726 27.032 ( -3.247 0.000 1.076) 3.420 27.076 ( 0.976 0.000 -0.890) 1.321 27.263 ( 3.862 0.000 0.258) 3.871 27.281 ( -19.021 0.000 -0.516) 19.028 28.150 ( 0.802 0.000 0.816) 1.144 28.185 ( -0.754 0.000 -0.770) 1.078 28.547 ( -0.084 0.000 0.021) 0.086 28.550 ( 0.191 0.000 -0.132) 0.232 28.584 ( -9.040 0.000 0.087) 9.041 28.587 ( 2.099 0.000 -0.059) 2.100 29.631 ( -0.290 0.000 1.496) 1.524 29.708 ( 0.606 0.000 -2.012) 2.102 30.700 ( -8.307 0.000 6.184) 10.356 30.980 ( 33.710 0.000 -6.534) 34.337 31.867 ( 0.231 0.000 0.414) 0.474 31.876 ( -1.779 0.000 0.203) 1.790 31.909 ( 2.765 0.000 0.089) 2.766 31.947 ( 7.327 0.000 -1.683) 7.518 32.686 ( -1.829 0.000 5.607) 5.897 32.876 ( 1.900 0.000 -3.283) 3.793 33.187 ( 0.176 0.000 0.227) 0.287 33.197 ( 0.870 0.000 -0.206) 0.894 33.717 ( 3.940 0.000 2.875) 4.878 33.874 ( -4.371 0.000 -4.669) 6.396 34.044 ( 2.231 0.000 1.757) 2.840 34.081 ( -4.670 0.000 -0.389) 4.686 36.739 ( 0.035 0.000 1.017) 1.018 36.786 ( 0.026 0.000 -1.084) 1.084 37.063 ( -15.527 0.000 0.835) 15.549 37.104 ( 1.665 0.000 -0.992) 1.938 39.337 ( -0.591 0.000 0.801) 0.996 39.394 ( 1.532 0.000 -2.584) 3.004 39.540 ( -5.453 0.000 5.304) 7.607 39.696 ( 48.315 0.000 -2.473) 48.378 39.878 ( 9.811 0.000 1.819) 9.978 40.020 ( -11.525 0.000 -6.159) 13.067 40.305 ( 9.377 0.000 8.590) 12.716 40.581 ( -6.818 0.000 -5.727) 8.905 40.750 ( -2.587 0.000 4.260) 4.984 40.834 ( -0.583 0.000 0.223) 0.625 40.923 ( -1.895 0.000 3.487) 3.969 41.346 ( -0.121 0.000 -19.981) 19.982 42.111 ( -39.707 0.000 19.160) 44.088 42.491 ( 13.848 0.000 -3.219) 14.218 43.096 ( 6.382 0.000 0.616) 6.412 43.215 ( -8.610 0.000 2.737) 9.035 43.237 ( -5.733 0.000 -4.381) 7.215 43.314 ( 2.389 0.000 -2.908) 3.764 44.059 ( -4.062 0.000 1.011) 4.186 44.086 ( 12.155 0.000 -0.288) 12.158 ======================= Grid point 50 (18/60) ======================= q-point: ( 0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 24.088 0.000 15.411) 28.596 0.845 ( 25.839 0.000 13.010) 28.929 1.031 ( 23.848 0.000 -5.509) 24.477 1.875 ( 40.990 0.000 24.461) 47.734 1.923 ( 2.511 0.000 -13.187) 13.424 2.141 ( 7.302 0.000 5.409) 9.087 2.401 ( 7.436 0.000 -1.683) 7.624 2.418 ( -4.738 0.000 -13.107) 13.938 2.556 ( 17.125 0.000 -7.978) 18.892 2.692 ( 8.733 0.000 -7.126) 11.271 2.740 ( 4.536 0.000 6.492) 7.919 2.863 ( 2.965 0.000 0.479) 3.004 2.981 ( 4.746 0.000 3.964) 6.183 3.064 ( 9.518 0.000 -2.304) 9.793 3.246 ( -3.703 0.000 4.192) 5.593 3.280 ( -0.916 0.000 12.222) 12.257 3.434 ( 4.900 0.000 -4.054) 6.360 3.440 ( 6.289 0.000 -5.744) 8.517 3.625 ( 8.915 0.000 1.359) 9.018 3.634 ( -0.553 0.000 -0.722) 0.909 3.643 ( 6.865 0.000 -2.514) 7.311 3.799 ( 0.371 0.000 -0.015) 0.371 3.866 ( 0.766 0.000 -1.057) 1.306 3.928 ( 4.373 0.000 -2.157) 4.876 4.061 ( -4.274 0.000 5.727) 7.146 4.098 ( 3.558 0.000 -2.863) 4.567 4.202 ( 2.176 0.000 -4.518) 5.015 4.244 ( 1.157 0.000 0.876) 1.451 4.280 ( -8.978 0.000 -4.172) 9.900 4.351 ( -0.447 0.000 -2.114) 2.161 4.401 ( 3.893 0.000 4.359) 5.844 4.439 ( -5.990 0.000 -1.023) 6.077 4.500 ( -0.529 0.000 -1.018) 1.147 4.506 ( 5.070 0.000 0.797) 5.132 4.568 ( 7.062 0.000 -5.238) 8.792 4.611 ( 1.658 0.000 0.150) 1.665 4.765 ( 9.106 0.000 0.420) 9.115 4.783 ( 2.717 0.000 1.462) 3.085 5.031 ( 1.602 0.000 4.388) 4.672 5.122 ( -5.304 0.000 -3.498) 6.353 5.455 ( 3.778 0.000 -2.975) 4.809 5.522 ( 5.839 0.000 -2.680) 6.425 5.548 ( 10.409 0.000 1.808) 10.565 5.570 ( -4.078 0.000 -1.844) 4.475 5.705 ( -4.420 0.000 3.691) 5.759 5.712 ( -3.959 0.000 1.679) 4.301 5.818 ( 5.164 0.000 -3.727) 6.369 5.838 ( 4.281 0.000 -3.064) 5.265 6.314 ( 6.981 0.000 5.620) 8.962 6.389 ( -3.052 0.000 -4.251) 5.233 6.413 ( -0.048 0.000 2.643) 2.643 6.550 ( 13.859 0.000 3.426) 14.276 6.686 ( -4.221 0.000 -6.642) 7.870 6.740 ( 10.118 0.000 7.125) 12.375 7.053 ( -2.749 0.000 11.451) 11.776 7.135 ( -3.493 0.000 16.763) 17.123 7.363 ( 6.097 0.000 -2.280) 6.509 7.431 ( 11.185 0.000 -6.834) 13.107 7.771 ( 1.010 0.000 -9.271) 9.326 7.867 ( -0.990 0.000 -6.983) 7.053 8.335 ( -1.067 0.000 -3.025) 3.207 8.438 ( 1.511 0.000 -2.165) 2.640 8.748 ( -4.254 0.000 5.185) 6.707 8.798 ( -2.211 0.000 4.327) 4.860 9.466 ( 0.081 0.000 -0.348) 0.357 9.488 ( 1.030 0.000 0.526) 1.156 9.589 ( 1.952 0.000 -0.298) 1.974 9.600 ( 3.692 0.000 -0.438) 3.718 10.177 ( 1.368 0.000 -0.983) 1.684 10.193 ( 2.885 0.000 0.759) 2.984 10.319 ( 1.389 0.000 -1.947) 2.391 10.358 ( 3.176 0.000 2.095) 3.805 11.018 ( -0.642 0.000 1.557) 1.684 11.049 ( -0.723 0.000 0.713) 1.016 11.598 ( -6.198 0.000 -0.424) 6.212 11.736 ( -5.592 0.000 -6.764) 8.776 12.064 ( -8.409 0.000 3.251) 9.015 12.084 ( -7.565 0.000 1.488) 7.710 12.504 ( -3.082 0.000 0.547) 3.130 12.638 ( -4.015 0.000 -2.032) 4.500 12.866 ( 4.775 0.000 0.543) 4.806 12.899 ( 4.207 0.000 0.021) 4.208 13.236 ( -0.690 0.000 -0.516) 0.861 13.245 ( -0.140 0.000 0.471) 0.491 13.544 ( -10.140 0.000 1.467) 10.246 13.583 ( -8.945 0.000 -1.204) 9.026 14.459 ( 0.263 0.000 -2.101) 2.118 14.484 ( -1.111 0.000 -0.942) 1.457 14.528 ( -4.338 0.000 3.992) 5.895 14.669 ( -5.329 0.000 -1.406) 5.511 14.779 ( -12.875 0.000 0.759) 12.898 14.820 ( -12.445 0.000 -1.123) 12.496 15.903 ( -17.037 0.000 -0.724) 17.052 15.928 ( -16.200 0.000 -0.196) 16.201 16.124 ( 7.528 0.000 -0.256) 7.532 16.172 ( 8.675 0.000 -0.207) 8.677 16.748 ( 22.055 0.000 0.073) 22.055 16.835 ( 26.559 0.000 -5.511) 27.125 16.886 ( 10.773 0.000 0.761) 10.800 16.894 ( 11.389 0.000 0.896) 11.425 17.357 ( -17.189 0.000 -0.827) 17.209 17.423 ( -17.800 0.000 1.502) 17.863 18.271 ( 6.814 0.000 -1.052) 6.895 18.284 ( 6.491 0.000 0.550) 6.514 18.781 ( 4.164 0.000 0.411) 4.184 18.783 ( 4.925 0.000 -0.442) 4.945 19.235 ( 0.020 0.000 -0.125) 0.126 19.286 ( 1.550 0.000 0.282) 1.576 19.530 ( 0.594 0.000 0.359) 0.694 19.566 ( 2.515 0.000 -0.241) 2.526 19.885 ( -5.287 0.000 0.745) 5.339 19.904 ( -4.225 0.000 -0.686) 4.280 20.142 ( 2.883 0.000 1.318) 3.170 20.174 ( 4.989 0.000 -1.237) 5.140 20.220 ( -4.163 0.000 1.283) 4.356 20.236 ( -3.978 0.000 0.190) 3.983 20.413 ( -0.825 0.000 -0.458) 0.943 20.457 ( 2.079 0.000 0.151) 2.085 20.980 ( -6.320 0.000 0.636) 6.352 21.034 ( 2.029 0.000 0.159) 2.035 21.070 ( -12.788 0.000 -1.386) 12.863 21.130 ( -16.915 0.000 1.241) 16.960 21.666 ( 4.127 0.000 0.401) 4.146 21.715 ( 1.841 0.000 -1.137) 2.164 21.741 ( -2.582 0.000 0.441) 2.619 21.750 ( -0.015 0.000 -0.906) 0.906 21.985 ( -4.440 0.000 0.625) 4.484 22.010 ( -3.729 0.000 -0.984) 3.857 22.171 ( -10.188 0.000 1.369) 10.279 22.179 ( -9.702 0.000 -0.956) 9.749 23.155 ( -21.117 0.000 -1.135) 21.148 23.215 ( -21.451 0.000 -0.804) 21.466 24.228 ( 6.040 0.000 2.118) 6.400 24.297 ( 4.769 0.000 -1.892) 5.131 25.614 ( 20.800 0.000 4.428) 21.266 25.633 ( 21.733 0.000 -2.012) 21.826 26.259 ( 1.264 0.000 1.448) 1.922 26.266 ( 1.572 0.000 -0.831) 1.778 26.473 ( 0.458 0.000 1.994) 2.046 26.510 ( -2.771 0.000 -0.674) 2.852 26.715 ( 4.320 0.000 -0.263) 4.328 26.836 ( 7.081 0.000 1.350) 7.208 27.042 ( -1.288 0.000 0.024) 1.289 27.109 ( 1.583 0.000 -0.183) 1.593 27.267 ( 4.193 0.000 -4.583) 6.212 27.402 ( 6.830 0.000 4.790) 8.342 28.222 ( 5.236 0.000 1.446) 5.432 28.276 ( 7.063 0.000 -2.425) 7.467 28.605 ( 6.750 0.000 0.750) 6.791 28.621 ( 6.070 0.000 -0.195) 6.073 28.830 ( 18.485 0.000 6.130) 19.475 28.896 ( 19.784 0.000 -17.280) 26.268 29.688 ( 6.626 0.000 0.047) 6.626 29.730 ( 1.808 0.000 -1.263) 2.205 30.537 ( -4.544 0.000 -4.141) 6.148 31.088 ( -8.358 0.000 5.072) 9.777 31.717 ( -12.483 0.000 -0.336) 12.488 31.766 ( -10.185 0.000 2.240) 10.428 31.905 ( -3.745 0.000 1.688) 4.108 32.075 ( -2.664 0.000 -20.739) 20.909 32.636 ( -1.822 0.000 5.724) 6.007 32.854 ( -3.245 0.000 -1.024) 3.403 33.054 ( -1.776 0.000 11.519) 11.656 33.200 ( 1.103 0.000 -2.620) 2.843 33.776 ( -3.682 0.000 -5.063) 6.260 33.787 ( 0.802 0.000 6.526) 6.575 34.045 ( -0.496 0.000 -3.409) 3.445 34.074 ( 0.400 0.000 2.193) 2.229 36.776 ( 3.240 0.000 1.213) 3.460 36.831 ( 4.117 0.000 -1.290) 4.314 37.260 ( 16.272 0.000 -9.346) 18.765 37.297 ( 14.255 0.000 3.752) 14.741 39.311 ( -13.183 0.000 -3.945) 13.760 39.338 ( -0.030 0.000 -0.041) 0.051 39.441 ( 2.323 0.000 -2.717) 3.575 39.778 ( -3.815 0.000 -2.866) 4.771 39.872 ( -2.371 0.000 -1.997) 3.100 40.211 ( -18.782 0.000 4.342) 19.278 40.456 ( 3.545 0.000 6.322) 7.248 40.626 ( 5.349 0.000 -9.804) 11.169 40.690 ( -2.889 0.000 3.751) 4.735 40.837 ( 7.105 0.000 -5.267) 8.845 40.907 ( 0.189 0.000 1.661) 1.672 41.301 ( 4.417 0.000 -1.144) 4.563 41.660 ( -1.237 0.000 -7.353) 7.456 42.487 ( -12.389 0.000 9.907) 15.863 42.913 ( -10.952 0.000 16.381) 19.705 43.294 ( 3.422 0.000 5.948) 6.863 43.301 ( 9.714 0.000 -8.822) 13.122 43.388 ( 4.332 0.000 -0.513) 4.362 43.909 ( -7.576 0.000 17.031) 18.640 43.922 ( -6.874 0.000 -7.399) 10.099 ======================= Grid point 51 (19/60) ======================= q-point: ( 0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 23.960 0.000 13.684) 27.593 1.338 ( 18.817 0.000 -4.762) 19.410 1.675 ( 31.941 0.000 -1.785) 31.991 1.973 ( 2.793 0.000 -4.436) 5.242 2.272 ( 7.075 0.000 -0.315) 7.082 2.318 ( -2.894 0.000 -8.204) 8.700 2.383 ( 8.811 0.000 1.975) 9.030 2.618 ( 0.986 0.000 -8.239) 8.298 2.787 ( 12.047 0.000 2.286) 12.262 2.911 ( 0.459 0.000 7.249) 7.263 2.999 ( 5.658 0.000 -3.394) 6.598 3.009 ( 16.193 0.000 0.856) 16.216 3.105 ( 4.497 0.000 -0.936) 4.593 3.178 ( 2.820 0.000 3.123) 4.208 3.275 ( 0.521 0.000 14.101) 14.110 3.307 ( 13.885 0.000 10.103) 17.171 3.540 ( 3.982 0.000 -7.649) 8.623 3.566 ( -0.740 0.000 -0.774) 1.071 3.602 ( 3.509 0.000 3.471) 4.936 3.660 ( -1.716 0.000 0.266) 1.737 3.808 ( 10.947 0.000 -5.698) 12.341 3.848 ( 4.249 0.000 0.277) 4.258 3.860 ( -2.820 0.000 7.287) 7.813 3.951 ( -1.576 0.000 5.629) 5.846 4.067 ( -7.916 0.000 -1.973) 8.158 4.068 ( 0.209 0.000 -7.431) 7.434 4.154 ( 1.164 0.000 -4.381) 4.533 4.170 ( 2.203 0.000 2.819) 3.578 4.296 ( -1.603 0.000 -4.529) 4.804 4.307 ( -3.223 0.000 -2.317) 3.969 4.354 ( -2.963 0.000 -0.364) 2.985 4.479 ( 1.970 0.000 1.301) 2.361 4.486 ( -0.675 0.000 -2.179) 2.281 4.617 ( 5.679 0.000 -4.074) 6.990 4.674 ( 6.228 0.000 0.248) 6.233 4.693 ( 2.910 0.000 -3.654) 4.671 4.805 ( -1.100 0.000 1.222) 1.644 4.916 ( -1.165 0.000 2.834) 3.064 5.080 ( 4.726 0.000 -1.715) 5.028 5.109 ( -0.757 0.000 0.139) 0.770 5.397 ( -2.439 0.000 -4.587) 5.195 5.438 ( -9.059 0.000 -1.514) 9.185 5.557 ( 1.482 0.000 0.342) 1.521 5.681 ( 2.965 0.000 0.467) 3.002 5.697 ( -4.527 0.000 -5.695) 7.275 5.772 ( 4.287 0.000 -1.181) 4.446 5.993 ( 16.736 0.000 6.071) 17.803 6.030 ( 12.749 0.000 0.888) 12.780 6.386 ( 3.299 0.000 0.898) 3.419 6.472 ( 4.238 0.000 0.767) 4.307 6.554 ( 7.410 0.000 8.362) 11.173 6.572 ( -4.388 0.000 3.890) 5.864 6.975 ( 7.404 0.000 1.727) 7.602 7.015 ( 8.351 0.000 8.408) 11.850 7.072 ( 10.301 0.000 0.851) 10.336 7.095 ( 16.878 0.000 -1.969) 16.993 7.390 ( 0.422 0.000 -9.335) 9.345 7.634 ( 2.738 0.000 -10.193) 10.554 7.911 ( 10.365 0.000 -1.081) 10.421 7.933 ( 13.676 0.000 -0.282) 13.679 8.407 ( 10.610 0.000 -2.779) 10.968 8.558 ( 10.689 0.000 0.364) 10.696 8.634 ( -6.466 0.000 3.712) 7.455 8.755 ( -2.179 0.000 8.287) 8.568 9.489 ( 1.466 0.000 0.777) 1.659 9.523 ( 1.870 0.000 0.047) 1.871 9.600 ( -1.420 0.000 0.167) 1.430 9.632 ( -1.719 0.000 -2.412) 2.962 10.223 ( 2.635 0.000 -1.508) 3.036 10.268 ( 3.544 0.000 1.744) 3.950 10.335 ( -0.340 0.000 -2.096) 2.124 10.411 ( 0.729 0.000 1.835) 1.975 11.014 ( 0.807 0.000 0.676) 1.052 11.044 ( 0.787 0.000 1.377) 1.586 11.418 ( -9.962 0.000 -1.619) 10.093 11.548 ( -10.806 0.000 -6.500) 12.610 11.805 ( -15.649 0.000 3.533) 16.043 11.852 ( -13.912 0.000 2.401) 14.117 12.461 ( -0.314 0.000 -0.598) 0.675 12.550 ( -3.290 0.000 -0.549) 3.336 12.984 ( 5.617 0.000 0.145) 5.619 12.999 ( 4.735 0.000 -0.114) 4.737 13.184 ( -9.462 0.000 -0.385) 9.470 13.236 ( -0.822 0.000 0.741) 1.107 13.272 ( -8.502 0.000 0.965) 8.557 13.307 ( -15.740 0.000 -1.931) 15.858 14.393 ( -9.545 0.000 1.364) 9.642 14.449 ( -3.204 0.000 -0.969) 3.347 14.452 ( -1.673 0.000 -1.599) 2.314 14.455 ( -13.096 0.000 -0.040) 13.096 14.507 ( -9.120 0.000 3.162) 9.653 14.618 ( -5.449 0.000 -2.420) 5.962 15.647 ( -5.410 0.000 -0.216) 5.414 15.688 ( -4.812 0.000 -0.423) 4.831 16.132 ( -7.253 0.000 -0.766) 7.293 16.192 ( -7.274 0.000 -0.024) 7.274 16.861 ( -11.049 0.000 -0.514) 11.061 16.926 ( -11.345 0.000 0.417) 11.353 17.256 ( 24.194 0.000 0.504) 24.199 17.385 ( 23.287 0.000 -4.852) 23.788 17.422 ( 23.408 0.000 2.090) 23.501 17.457 ( 23.267 0.000 1.159) 23.295 18.453 ( 8.631 0.000 0.866) 8.675 18.466 ( 10.567 0.000 -1.210) 10.636 18.879 ( 5.883 0.000 0.772) 5.933 18.898 ( 6.342 0.000 -0.543) 6.366 19.207 ( -2.142 0.000 0.627) 2.232 19.269 ( -2.406 0.000 -0.874) 2.560 19.553 ( 1.438 0.000 1.029) 1.768 19.593 ( -2.132 0.000 -0.059) 2.133 19.760 ( -7.538 0.000 1.298) 7.649 19.802 ( -3.294 0.000 -2.770) 4.304 20.067 ( -8.379 0.000 0.057) 8.380 20.104 ( -8.686 0.000 0.500) 8.700 20.222 ( -0.298 0.000 1.578) 1.606 20.245 ( 1.798 0.000 -1.690) 2.467 20.415 ( 1.429 0.000 0.574) 1.540 20.456 ( -7.582 0.000 -1.448) 7.719 20.616 ( -11.626 0.000 0.675) 11.646 20.648 ( -26.441 0.000 0.690) 26.450 21.046 ( 1.589 0.000 -0.027) 1.589 21.099 ( 2.818 0.000 -0.096) 2.820 21.593 ( -7.725 0.000 1.118) 7.806 21.596 ( -11.750 0.000 -1.475) 11.843 21.723 ( -2.342 0.000 0.148) 2.347 21.736 ( -1.270 0.000 -0.314) 1.308 21.854 ( -6.758 0.000 -0.347) 6.767 21.900 ( -7.571 0.000 0.292) 7.577 22.016 ( -1.425 0.000 0.534) 1.521 22.044 ( -1.719 0.000 -0.171) 1.727 22.763 ( -11.999 0.000 -0.185) 12.001 22.800 ( -13.112 0.000 -0.332) 13.117 24.400 ( 6.662 0.000 1.847) 6.913 24.419 ( 4.723 0.000 -1.932) 5.103 25.977 ( 12.058 0.000 3.015) 12.429 26.018 ( 12.965 0.000 -0.761) 12.988 26.326 ( 0.762 0.000 0.424) 0.872 26.350 ( 1.941 0.000 0.055) 1.941 26.500 ( 6.456 0.000 0.920) 6.521 26.519 ( 7.686 0.000 -1.637) 7.858 26.851 ( 6.275 0.000 -0.026) 6.275 26.933 ( 2.158 0.000 0.241) 2.172 27.016 ( -0.989 0.000 1.155) 1.520 27.140 ( 1.104 0.000 -0.623) 1.268 27.292 ( -1.210 0.000 -1.115) 1.645 27.464 ( -2.490 0.000 1.819) 3.084 28.342 ( 4.730 0.000 1.817) 5.067 28.381 ( 3.066 0.000 -2.108) 3.721 28.805 ( 10.913 0.000 -0.814) 10.943 28.839 ( 13.408 0.000 1.977) 13.553 29.181 ( 8.940 0.000 -12.258) 15.172 29.205 ( 10.959 0.000 10.410) 15.116 29.859 ( 13.542 0.000 -0.033) 13.542 29.945 ( 16.889 0.000 -3.211) 17.192 30.570 ( 8.044 0.000 -8.058) 11.386 30.924 ( -6.689 0.000 8.677) 10.956 31.376 ( -18.535 0.000 -0.181) 18.536 31.482 ( -15.865 0.000 3.231) 16.191 31.742 ( -11.618 0.000 4.224) 12.362 31.862 ( -11.173 0.000 -14.013) 17.922 32.669 ( 2.797 0.000 1.663) 3.254 32.789 ( -1.856 0.000 -0.277) 1.877 33.102 ( 2.618 0.000 7.483) 7.928 33.227 ( 1.769 0.000 -4.943) 5.250 33.707 ( -2.312 0.000 -3.052) 3.829 33.782 ( -1.762 0.000 3.984) 4.356 34.029 ( -0.205 0.000 -2.265) 2.274 34.074 ( -0.510 0.000 2.294) 2.350 36.867 ( 4.577 0.000 1.375) 4.780 36.939 ( 5.487 0.000 -1.680) 5.738 37.523 ( 9.681 0.000 -5.425) 11.097 37.601 ( 11.313 0.000 5.827) 12.726 39.061 ( -8.074 0.000 -5.133) 9.567 39.313 ( -2.333 0.000 -1.741) 2.911 39.490 ( 1.782 0.000 -1.602) 2.396 39.630 ( -9.498 0.000 3.698) 10.193 39.862 ( 0.927 0.000 0.891) 1.286 39.953 ( -4.197 0.000 0.784) 4.270 40.472 ( -1.686 0.000 0.908) 1.915 40.530 ( -6.498 0.000 5.766) 8.687 40.656 ( -0.806 0.000 7.793) 7.834 40.935 ( 2.070 0.000 1.589) 2.610 40.973 ( 4.318 0.000 -8.939) 9.927 41.465 ( 7.546 0.000 -17.855) 19.384 41.725 ( 6.414 0.000 -14.260) 15.636 42.176 ( -15.516 0.000 9.582) 18.236 42.758 ( -5.833 0.000 18.445) 19.345 43.330 ( -0.110 0.000 11.314) 11.314 43.409 ( -1.815 0.000 1.197) 2.174 43.465 ( 3.538 0.000 -5.959) 6.930 43.874 ( -0.375 0.000 11.220) 11.226 43.880 ( 5.743 0.000 -14.809) 15.884 ======================= Grid point 52 (20/60) ======================= q-point: ( 0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 11.464 0.000 -2.939) 11.835 1.738 ( 6.328 0.000 8.061) 10.248 1.939 ( -1.614 0.000 5.268) 5.510 2.122 ( 10.943 0.000 -3.404) 11.460 2.362 ( 6.065 0.000 -6.486) 8.880 2.437 ( 2.438 0.000 -9.278) 9.593 2.505 ( 1.931 0.000 9.653) 9.845 2.623 ( 0.692 0.000 -2.501) 2.595 2.898 ( 8.605 0.000 -4.418) 9.673 3.015 ( 0.134 0.000 -1.263) 1.270 3.018 ( 4.196 0.000 6.565) 7.791 3.073 ( -4.813 0.000 -1.450) 5.027 3.181 ( -4.302 0.000 -0.188) 4.306 3.220 ( 3.207 0.000 1.768) 3.662 3.322 ( 1.235 0.000 7.405) 7.508 3.395 ( 2.651 0.000 4.798) 5.481 3.533 ( -7.297 0.000 -15.229) 16.887 3.590 ( -6.136 0.000 6.975) 9.290 3.658 ( 1.841 0.000 1.615) 2.449 3.722 ( 3.936 0.000 -2.506) 4.666 3.827 ( 2.473 0.000 3.650) 4.409 3.884 ( -0.660 0.000 2.649) 2.730 3.976 ( 6.357 0.000 5.281) 8.265 4.006 ( 5.597 0.000 -7.797) 9.597 4.061 ( 1.887 0.000 -3.645) 4.104 4.085 ( -4.244 0.000 -1.065) 4.376 4.136 ( 9.348 0.000 6.700) 11.501 4.218 ( -0.497 0.000 -1.696) 1.767 4.260 ( -4.117 0.000 2.672) 4.908 4.285 ( 2.688 0.000 -4.236) 5.016 4.318 ( 5.012 0.000 -9.092) 10.382 4.460 ( -1.510 0.000 0.730) 1.677 4.483 ( -1.040 0.000 2.057) 2.305 4.657 ( -9.941 0.000 -1.754) 10.094 4.681 ( -3.722 0.000 0.977) 3.848 4.706 ( 3.774 0.000 -0.074) 3.775 4.847 ( -1.854 0.000 5.914) 6.198 4.902 ( 6.400 0.000 3.516) 7.302 5.042 ( 1.720 0.000 -2.868) 3.344 5.143 ( -4.461 0.000 3.965) 5.968 5.260 ( -3.680 0.000 0.972) 3.806 5.304 ( -6.240 0.000 0.005) 6.240 5.529 ( 0.845 0.000 -0.562) 1.015 5.618 ( -3.938 0.000 0.811) 4.021 5.821 ( 10.362 0.000 -1.787) 10.515 5.964 ( 9.935 0.000 -1.418) 10.036 6.280 ( 6.568 0.000 3.801) 7.589 6.288 ( 8.406 0.000 -6.838) 10.836 6.418 ( -4.893 0.000 -0.820) 4.961 6.434 ( 0.641 0.000 -3.115) 3.181 6.519 ( -1.661 0.000 2.711) 3.180 6.540 ( -5.996 0.000 3.111) 6.755 6.945 ( -4.279 0.000 -6.600) 7.865 7.011 ( -2.350 0.000 -7.786) 8.132 7.428 ( 12.861 0.000 3.153) 13.242 7.465 ( 3.791 0.000 3.357) 5.063 7.563 ( 8.273 0.000 6.371) 10.441 7.655 ( 3.902 0.000 -3.108) 4.988 8.219 ( 19.494 0.000 -1.910) 19.588 8.258 ( 10.487 0.000 -0.479) 10.498 8.516 ( -3.266 0.000 2.232) 3.956 8.653 ( -4.902 0.000 3.559) 6.058 8.753 ( 17.168 0.000 -0.888) 17.191 8.987 ( 22.659 0.000 3.618) 22.946 9.429 ( -16.791 0.000 -3.133) 17.081 9.499 ( -4.162 0.000 1.725) 4.505 9.525 ( -2.146 0.000 -0.308) 2.168 9.563 ( 0.794 0.000 -1.463) 1.664 10.276 ( 2.519 0.000 0.307) 2.538 10.310 ( -0.849 0.000 -0.233) 0.880 10.316 ( -0.033 0.000 2.020) 2.021 10.378 ( -3.031 0.000 -0.603) 3.090 11.074 ( 4.211 0.000 -0.358) 4.226 11.098 ( 3.053 0.000 2.130) 3.722 11.235 ( -3.808 0.000 -3.510) 5.179 11.311 ( -8.579 0.000 -6.174) 10.570 11.489 ( -10.376 0.000 3.635) 10.994 11.550 ( -12.781 0.000 3.642) 13.290 12.505 ( 4.133 0.000 -1.443) 4.377 12.513 ( -0.721 0.000 1.077) 1.297 12.885 ( -9.602 0.000 -0.157) 9.604 12.972 ( -11.183 0.000 -1.785) 11.325 13.092 ( 2.964 0.000 -0.174) 2.970 13.094 ( 1.795 0.000 -0.469) 1.855 13.217 ( -0.815 0.000 0.774) 1.124 13.227 ( -0.451 0.000 -0.172) 0.483 14.157 ( -7.436 0.000 0.544) 7.456 14.190 ( -8.152 0.000 0.381) 8.161 14.386 ( -2.138 0.000 0.834) 2.295 14.432 ( -1.000 0.000 2.550) 2.739 14.436 ( -0.321 0.000 -1.816) 1.844 14.541 ( -1.691 0.000 -2.476) 2.998 15.672 ( 6.801 0.000 -0.489) 6.819 15.723 ( 7.026 0.000 0.236) 7.030 15.897 ( -12.024 0.000 -1.156) 12.080 15.944 ( -13.199 0.000 0.732) 13.219 16.721 ( -2.429 0.000 0.224) 2.439 16.761 ( -3.621 0.000 -0.304) 3.633 17.681 ( 12.575 0.000 0.767) 12.598 17.781 ( 11.162 0.000 -3.826) 11.800 17.869 ( 13.115 0.000 1.637) 13.217 17.890 ( 12.102 0.000 0.582) 12.116 18.623 ( 5.864 0.000 1.143) 5.975 18.667 ( 6.485 0.000 -0.567) 6.509 19.054 ( 6.909 0.000 0.048) 6.910 19.063 ( 6.956 0.000 0.017) 6.956 19.218 ( 7.819 0.000 1.412) 7.946 19.250 ( 4.077 0.000 -1.802) 4.457 19.451 ( -10.161 0.000 -1.055) 10.215 19.546 ( -13.400 0.000 1.758) 13.515 19.605 ( 3.308 0.000 0.384) 3.330 19.781 ( -3.530 0.000 -0.759) 3.610 19.863 ( -3.738 0.000 -1.151) 3.911 19.877 ( -7.029 0.000 0.112) 7.030 20.072 ( -17.495 0.000 -0.363) 17.499 20.094 ( -14.769 0.000 -0.700) 14.786 20.238 ( -3.669 0.000 2.655) 4.528 20.297 ( 0.198 0.000 -1.690) 1.701 20.451 ( 1.269 0.000 1.700) 2.121 20.570 ( 0.012 0.000 -1.781) 1.781 21.080 ( 1.218 0.000 1.181) 1.696 21.144 ( 1.141 0.000 -0.872) 1.436 21.360 ( -6.472 0.000 0.060) 6.472 21.416 ( -6.324 0.000 -0.631) 6.356 21.653 ( -1.378 0.000 0.424) 1.441 21.694 ( -1.920 0.000 -0.002) 1.920 21.800 ( -0.563 0.000 0.269) 0.624 21.810 ( -1.126 0.000 -0.245) 1.153 22.021 ( 0.602 0.000 0.238) 0.648 22.040 ( 0.194 0.000 -0.191) 0.272 22.628 ( -2.262 0.000 0.443) 2.305 22.649 ( -2.677 0.000 -0.191) 2.684 24.479 ( 1.597 0.000 -0.876) 1.822 24.482 ( 1.170 0.000 0.531) 1.285 26.143 ( 3.721 0.000 2.188) 4.317 26.192 ( 3.865 0.000 -0.249) 3.873 26.290 ( -1.552 0.000 0.470) 1.621 26.326 ( -1.684 0.000 -0.182) 1.693 26.742 ( 12.492 0.000 1.132) 12.543 26.788 ( 12.931 0.000 -1.163) 12.983 26.938 ( 0.799 0.000 0.961) 1.250 26.955 ( 0.968 0.000 -0.789) 1.249 26.974 ( -3.696 0.000 1.104) 3.857 27.107 ( -5.801 0.000 -1.645) 6.030 27.237 ( -2.229 0.000 0.848) 2.385 27.346 ( -5.471 0.000 -1.199) 5.601 28.405 ( 1.027 0.000 0.882) 1.354 28.422 ( 1.208 0.000 -0.994) 1.564 29.033 ( 8.909 0.000 -1.087) 8.975 29.085 ( 6.414 0.000 1.184) 6.522 29.281 ( -3.025 0.000 5.799) 6.541 29.298 ( 5.001 0.000 -5.855) 7.700 30.268 ( 19.245 0.000 0.875) 19.265 30.291 ( 11.818 0.000 -1.089) 11.868 30.788 ( 9.426 0.000 -5.208) 10.769 30.854 ( 1.052 0.000 2.789) 2.981 30.987 ( -13.202 0.000 1.294) 13.265 31.121 ( -17.792 0.000 1.619) 17.865 31.467 ( -12.948 0.000 6.616) 14.540 31.673 ( -3.520 0.000 -9.519) 10.149 32.721 ( 1.722 0.000 0.615) 1.828 32.771 ( -0.400 0.000 -0.308) 0.505 33.137 ( -0.489 0.000 5.008) 5.032 33.263 ( 2.026 0.000 -3.989) 4.474 33.677 ( -0.003 0.000 -1.456) 1.456 33.730 ( -2.836 0.000 -0.436) 2.869 34.040 ( 1.255 0.000 0.538) 1.366 34.061 ( -0.898 0.000 1.701) 1.924 36.948 ( 2.201 0.000 1.575) 2.706 37.030 ( 2.595 0.000 -1.967) 3.256 37.678 ( 5.469 0.000 -0.573) 5.499 37.745 ( 1.641 0.000 2.478) 2.972 38.974 ( 0.013 0.000 0.144) 0.145 39.240 ( -3.882 0.000 -5.222) 6.507 39.475 ( -4.514 0.000 3.394) 5.648 39.506 ( 0.350 0.000 -0.742) 0.820 39.892 ( 1.028 0.000 0.926) 1.384 39.933 ( 0.358 0.000 -1.412) 1.457 40.425 ( -3.463 0.000 3.802) 5.142 40.428 ( -1.602 0.000 -1.374) 2.110 40.671 ( 0.844 0.000 11.136) 11.168 40.986 ( 2.151 0.000 2.637) 3.403 41.022 ( 1.322 0.000 -6.657) 6.787 41.527 ( 0.905 0.000 -23.065) 23.083 41.889 ( 10.321 0.000 -9.739) 14.191 41.900 ( -10.597 0.000 5.221) 11.813 42.699 ( -2.104 0.000 20.326) 20.435 43.310 ( -4.424 0.000 -7.027) 8.304 43.327 ( -1.817 0.000 12.557) 12.688 43.533 ( 2.523 0.000 -0.751) 2.632 43.855 ( -2.872 0.000 5.835) 6.504 44.028 ( 7.352 0.000 -10.699) 12.982 ======================= Grid point 53 (21/60) ======================= q-point: (-0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -17.237 0.000 0.977) 17.265 1.771 ( -2.712 0.000 3.607) 4.513 2.008 ( -2.041 0.000 4.934) 5.339 2.200 ( -6.682 0.000 -0.949) 6.749 2.376 ( -6.003 0.000 -10.565) 12.151 2.392 ( -0.316 0.000 -3.241) 3.256 2.432 ( -4.748 0.000 3.373) 5.824 2.729 ( 6.609 0.000 3.545) 7.500 2.872 ( -13.955 0.000 -10.759) 17.621 3.000 ( -4.226 0.000 6.522) 7.772 3.072 ( 3.242 0.000 -2.835) 4.306 3.087 ( -0.617 0.000 0.189) 0.646 3.096 ( 6.208 0.000 3.755) 7.255 3.203 ( -5.965 0.000 2.776) 6.579 3.299 ( -3.477 0.000 0.908) 3.594 3.310 ( -4.128 0.000 1.450) 4.375 3.524 ( -0.823 0.000 3.015) 3.125 3.580 ( 4.542 0.000 -1.872) 4.913 3.691 ( 1.444 0.000 -2.328) 2.740 3.775 ( -6.114 0.000 2.045) 6.447 3.796 ( 7.845 0.000 -0.363) 7.853 3.810 ( -7.459 0.000 7.865) 10.839 3.997 ( -2.411 0.000 -0.172) 2.417 4.042 ( -1.382 0.000 -4.380) 4.593 4.068 ( -7.295 0.000 0.331) 7.303 4.108 ( 3.776 0.000 -2.344) 4.444 4.142 ( 1.697 0.000 -1.062) 2.002 4.228 ( 1.336 0.000 -4.619) 4.808 4.309 ( -0.311 0.000 -3.916) 3.929 4.346 ( 5.019 0.000 -4.241) 6.571 4.373 ( -0.421 0.000 5.373) 5.389 4.429 ( -2.723 0.000 0.800) 2.838 4.500 ( -1.608 0.000 -2.548) 3.013 4.537 ( -3.078 0.000 3.925) 4.988 4.628 ( 8.709 0.000 0.071) 8.710 4.772 ( 1.021 0.000 -1.439) 1.765 4.845 ( -0.795 0.000 6.178) 6.229 4.921 ( -1.986 0.000 2.076) 2.873 5.054 ( -0.134 0.000 -1.495) 1.500 5.172 ( -1.393 0.000 4.445) 4.658 5.290 ( 6.069 0.000 1.956) 6.376 5.291 ( 10.531 0.000 -1.361) 10.618 5.555 ( -2.093 0.000 -2.649) 3.376 5.564 ( 2.508 0.000 1.315) 2.832 5.933 ( -2.871 0.000 4.074) 4.984 5.935 ( -11.728 0.000 -4.369) 12.515 6.238 ( -8.223 0.000 -0.126) 8.224 6.305 ( 2.401 0.000 -0.409) 2.436 6.394 ( -5.299 0.000 -3.249) 6.216 6.452 ( 0.046 0.000 -1.859) 1.859 6.466 ( -4.718 0.000 -1.056) 4.835 6.537 ( 5.236 0.000 1.391) 5.417 6.917 ( 3.889 0.000 -5.679) 6.883 6.970 ( 1.284 0.000 -5.782) 5.923 7.400 ( -16.866 0.000 4.064) 17.349 7.508 ( -12.692 0.000 6.221) 14.135 7.509 ( -2.086 0.000 2.641) 3.366 7.650 ( 0.607 0.000 -3.361) 3.415 8.241 ( -14.276 0.000 -2.525) 14.498 8.270 ( -12.216 0.000 0.242) 12.219 8.602 ( 3.458 0.000 1.013) 3.603 8.696 ( 7.932 0.000 3.737) 8.768 8.807 ( -26.476 0.000 -5.068) 26.957 8.829 ( -10.520 0.000 8.243) 13.365 9.426 ( 2.098 0.000 -2.737) 3.448 9.495 ( 9.388 0.000 1.083) 9.450 9.535 ( 1.758 0.000 0.371) 1.797 9.574 ( 1.846 0.000 -1.556) 2.414 10.279 ( -2.861 0.000 0.292) 2.875 10.318 ( 3.963 0.000 2.155) 4.511 10.337 ( 0.590 0.000 1.026) 1.184 10.345 ( 0.187 0.000 -2.017) 2.025 11.069 ( -3.961 0.000 -0.089) 3.962 11.105 ( -1.308 0.000 1.832) 2.251 11.285 ( 7.727 0.000 -5.507) 9.488 11.308 ( 4.622 0.000 -4.987) 6.799 11.473 ( 10.966 0.000 3.732) 11.584 11.537 ( 11.781 0.000 4.418) 12.583 12.480 ( -1.538 0.000 -0.390) 1.586 12.534 ( -2.636 0.000 -0.005) 2.636 12.907 ( 10.798 0.000 0.990) 10.843 12.944 ( 10.458 0.000 -2.963) 10.870 13.088 ( -3.219 0.000 -0.200) 3.225 13.089 ( -2.339 0.000 -0.325) 2.362 13.216 ( 0.737 0.000 0.553) 0.921 13.232 ( 0.726 0.000 -0.017) 0.726 14.175 ( 8.739 0.000 1.149) 8.814 14.179 ( 7.248 0.000 -0.232) 7.252 14.365 ( 0.052 0.000 0.853) 0.855 14.441 ( 1.020 0.000 -1.485) 1.802 14.444 ( 1.893 0.000 2.303) 2.981 14.538 ( 1.776 0.000 -2.586) 3.138 15.690 ( -6.174 0.000 -1.244) 6.298 15.703 ( -7.481 0.000 0.982) 7.545 15.900 ( 12.793 0.000 -1.298) 12.859 15.942 ( 12.285 0.000 0.890) 12.318 16.735 ( 3.735 0.000 0.849) 3.830 16.747 ( 2.267 0.000 -0.928) 2.450 17.689 ( -12.184 0.000 1.278) 12.251 17.752 ( -13.306 0.000 -3.401) 13.734 17.881 ( -12.849 0.000 0.074) 12.849 17.897 ( -10.746 0.000 1.216) 10.814 18.624 ( -6.346 0.000 1.291) 6.476 18.663 ( -6.443 0.000 -0.703) 6.481 19.057 ( -7.107 0.000 0.189) 7.110 19.057 ( -6.729 0.000 -0.129) 6.731 19.200 ( -5.536 0.000 0.537) 5.562 19.270 ( -6.118 0.000 -0.956) 6.192 19.461 ( 9.780 0.000 -1.596) 9.910 19.506 ( 9.134 0.000 1.844) 9.319 19.672 ( -0.700 0.000 3.177) 3.253 19.722 ( 3.917 0.000 -3.314) 5.131 19.873 ( 8.862 0.000 -0.447) 8.873 19.891 ( 4.243 0.000 -0.292) 4.253 20.087 ( 18.884 0.000 -0.574) 18.893 20.095 ( 15.325 0.000 -0.856) 15.349 20.211 ( -0.655 0.000 2.342) 2.431 20.308 ( 1.412 0.000 -1.064) 1.768 20.472 ( 0.770 0.000 2.609) 2.720 20.549 ( -1.797 0.000 -2.686) 3.232 21.092 ( -0.253 0.000 1.588) 1.608 21.136 ( -1.795 0.000 -1.288) 2.210 21.378 ( 8.073 0.000 0.922) 8.125 21.394 ( 4.560 0.000 -1.481) 4.794 21.672 ( 2.879 0.000 1.113) 3.087 21.681 ( 0.902 0.000 -0.704) 1.144 21.797 ( 0.557 0.000 0.243) 0.608 21.808 ( 0.637 0.000 -0.224) 0.675 22.028 ( -0.022 0.000 0.453) 0.453 22.037 ( -0.440 0.000 -0.410) 0.602 22.634 ( 2.847 0.000 0.610) 2.912 22.649 ( 2.661 0.000 -0.362) 2.685 24.463 ( -2.744 0.000 -0.256) 2.756 24.496 ( -0.143 0.000 -0.087) 0.168 26.151 ( -3.745 0.000 2.199) 4.343 26.194 ( -3.566 0.000 -0.254) 3.575 26.293 ( 2.033 0.000 0.899) 2.223 26.317 ( 1.202 0.000 -0.600) 1.344 26.742 ( -13.373 0.000 0.835) 13.399 26.795 ( -12.085 0.000 -0.909) 12.120 26.950 ( 1.555 0.000 -0.474) 1.625 26.963 ( -3.050 0.000 -0.505) 3.092 26.979 ( 3.732 0.000 3.845) 5.358 27.065 ( 5.264 0.000 -3.205) 6.163 27.268 ( 4.930 0.000 2.235) 5.413 27.313 ( 2.063 0.000 -2.584) 3.306 28.391 ( -2.274 0.000 0.323) 2.297 28.433 ( -0.183 0.000 -0.437) 0.474 29.037 ( -8.979 0.000 -1.144) 9.052 29.113 ( -5.662 0.000 2.551) 6.210 29.141 ( -6.281 0.000 -1.039) 6.367 29.426 ( 5.744 0.000 -0.295) 5.751 30.265 ( -18.356 0.000 0.450) 18.362 30.318 ( -7.491 0.000 -0.646) 7.519 30.740 ( -17.406 0.000 -2.392) 17.570 30.933 ( 11.566 0.000 -1.796) 11.705 31.046 ( 14.710 0.000 -2.195) 14.873 31.069 ( 6.988 0.000 7.664) 10.372 31.346 ( 6.237 0.000 2.154) 6.599 31.721 ( 8.183 0.000 -5.899) 10.088 32.740 ( -0.083 0.000 1.269) 1.272 32.758 ( -0.654 0.000 -0.978) 1.176 33.090 ( -4.113 0.000 3.395) 5.333 33.290 ( 0.466 0.000 -2.350) 2.396 33.680 ( -1.487 0.000 -1.895) 2.409 33.711 ( 3.305 0.000 0.153) 3.308 34.041 ( -1.060 0.000 0.659) 1.248 34.076 ( 1.905 0.000 1.432) 2.383 36.949 ( -2.304 0.000 1.626) 2.820 37.029 ( -2.411 0.000 -2.014) 3.141 37.690 ( -6.459 0.000 -0.625) 6.489 37.761 ( 2.367 0.000 2.560) 3.486 39.047 ( 6.145 0.000 4.046) 7.357 39.148 ( -3.769 0.000 -9.426) 10.152 39.437 ( -0.112 0.000 2.620) 2.623 39.529 ( 2.186 0.000 0.377) 2.218 39.887 ( -1.407 0.000 0.671) 1.559 39.925 ( -1.247 0.000 -1.023) 1.613 40.407 ( 1.473 0.000 2.465) 2.871 40.421 ( 0.933 0.000 0.036) 0.933 40.701 ( 0.526 0.000 10.953) 10.966 41.016 ( -1.100 0.000 -6.285) 6.381 41.025 ( 0.842 0.000 4.804) 4.877 41.477 ( -2.129 0.000 -24.925) 25.016 41.758 ( -2.426 0.000 -2.380) 3.399 42.135 ( 13.453 0.000 -4.974) 14.343 42.718 ( 1.545 0.000 24.435) 24.484 43.238 ( -1.306 0.000 -9.106) 9.199 43.264 ( -5.947 0.000 12.460) 13.806 43.563 ( 0.364 0.000 -0.679) 0.771 43.766 ( -5.590 0.000 0.562) 5.618 44.130 ( 2.890 0.000 -5.376) 6.104 ======================= Grid point 54 (22/60) ======================= q-point: (-0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -21.786 0.000 3.038) 21.997 1.551 ( -17.733 0.000 9.377) 20.060 1.776 ( -27.446 0.000 -1.293) 27.477 1.870 ( -8.520 0.000 -8.355) 11.933 2.227 ( -7.837 0.000 -5.901) 9.810 2.351 ( -2.351 0.000 -5.113) 5.628 2.365 ( -3.185 0.000 4.580) 5.578 2.635 ( -5.045 0.000 -11.859) 12.888 2.817 ( 1.176 0.000 2.188) 2.483 2.886 ( -18.921 0.000 3.360) 19.217 2.960 ( -7.198 0.000 5.554) 9.092 3.067 ( -6.757 0.000 10.044) 12.105 3.098 ( 1.691 0.000 -1.170) 2.056 3.167 ( -10.290 0.000 -4.058) 11.061 3.206 ( -0.769 0.000 6.147) 6.195 3.234 ( -6.178 0.000 10.339) 12.045 3.503 ( -1.210 0.000 -4.191) 4.362 3.591 ( 3.668 0.000 -3.002) 4.740 3.647 ( -1.693 0.000 2.931) 3.385 3.699 ( -3.911 0.000 -1.491) 4.185 3.756 ( 1.567 0.000 6.139) 6.336 3.780 ( -7.289 0.000 1.928) 7.540 3.946 ( -2.789 0.000 2.852) 3.989 3.982 ( -5.237 0.000 -1.786) 5.533 4.079 ( 10.302 0.000 -2.251) 10.545 4.118 ( -4.688 0.000 -3.869) 6.078 4.174 ( -3.229 0.000 -1.955) 3.774 4.238 ( 5.134 0.000 -3.972) 6.491 4.341 ( 1.514 0.000 -2.242) 2.705 4.346 ( -3.259 0.000 4.417) 5.489 4.408 ( -0.956 0.000 1.629) 1.889 4.432 ( 2.120 0.000 -2.501) 3.278 4.469 ( -2.657 0.000 -4.923) 5.595 4.501 ( 2.938 0.000 -1.182) 3.166 4.704 ( -5.819 0.000 -5.211) 7.811 4.728 ( -2.259 0.000 -1.729) 2.845 4.839 ( 3.017 0.000 -0.610) 3.078 4.887 ( 0.984 0.000 5.426) 5.515 5.066 ( 0.489 0.000 1.167) 1.265 5.100 ( -6.268 0.000 -1.105) 6.364 5.379 ( -3.094 0.000 -5.442) 6.260 5.455 ( 3.874 0.000 -1.762) 4.256 5.628 ( 5.982 0.000 -2.181) 6.367 5.652 ( 4.357 0.000 3.419) 5.538 5.687 ( -15.743 0.000 -2.024) 15.872 5.713 ( -3.200 0.000 -5.662) 6.504 6.036 ( -10.624 0.000 0.915) 10.663 6.101 ( -25.076 0.000 3.715) 25.349 6.345 ( 0.622 0.000 0.949) 1.135 6.386 ( 0.949 0.000 6.775) 6.841 6.493 ( 7.443 0.000 8.327) 11.169 6.655 ( -0.047 0.000 3.099) 3.100 6.851 ( -7.623 0.000 4.086) 8.649 6.860 ( -19.011 0.000 -3.406) 19.314 7.081 ( -12.095 0.000 0.077) 12.095 7.225 ( 0.097 0.000 0.687) 0.694 7.416 ( -2.861 0.000 -4.682) 5.487 7.699 ( 0.100 0.000 -9.855) 9.856 7.922 ( -10.908 0.000 -1.072) 10.960 7.940 ( -15.586 0.000 -0.493) 15.594 8.320 ( -11.888 0.000 -2.210) 12.092 8.443 ( -13.058 0.000 3.843) 13.612 8.750 ( 5.523 0.000 0.873) 5.592 8.864 ( 1.421 0.000 7.480) 7.614 9.461 ( 0.769 0.000 0.675) 1.024 9.509 ( -2.122 0.000 -0.516) 2.183 9.592 ( 2.087 0.000 -0.539) 2.155 9.631 ( 0.217 0.000 -1.458) 1.474 10.214 ( -2.965 0.000 -0.742) 3.057 10.280 ( -3.967 0.000 1.047) 4.102 10.332 ( -1.491 0.000 -2.028) 2.517 10.423 ( 1.761 0.000 1.654) 2.415 11.032 ( 0.079 0.000 0.051) 0.094 11.042 ( -2.778 0.000 2.051) 3.453 11.464 ( 9.075 0.000 -1.195) 9.153 11.524 ( 12.403 0.000 -6.751) 14.122 11.814 ( 15.881 0.000 1.751) 15.977 11.832 ( 13.290 0.000 3.986) 13.875 12.491 ( -0.239 0.000 1.365) 1.386 12.495 ( 3.079 0.000 -2.533) 3.987 12.988 ( -5.181 0.000 0.345) 5.192 12.993 ( -4.866 0.000 -0.294) 4.875 13.201 ( 3.541 0.000 -1.033) 3.689 13.229 ( 12.700 0.000 1.930) 12.846 13.252 ( 4.643 0.000 -0.316) 4.654 13.318 ( 14.282 0.000 -1.189) 14.331 14.381 ( 1.783 0.000 0.752) 1.935 14.430 ( 12.381 0.000 -0.504) 12.392 14.443 ( 11.713 0.000 0.650) 11.731 14.471 ( 2.892 0.000 -1.317) 3.178 14.527 ( 6.972 0.000 2.355) 7.359 14.613 ( 5.841 0.000 -2.444) 6.332 15.665 ( 5.086 0.000 0.583) 5.119 15.672 ( 5.423 0.000 -1.210) 5.556 16.154 ( 8.313 0.000 -1.922) 8.532 16.172 ( 6.677 0.000 1.071) 6.763 16.881 ( 11.073 0.000 -1.492) 11.173 16.903 ( 11.308 0.000 1.398) 11.394 17.268 ( -24.270 0.000 1.535) 24.318 17.299 ( -25.812 0.000 -2.680) 25.951 17.439 ( -22.853 0.000 -0.035) 22.853 17.500 ( -22.305 0.000 0.206) 22.306 18.435 ( -9.542 0.000 0.148) 9.543 18.481 ( -9.114 0.000 -0.482) 9.127 18.876 ( -6.591 0.000 0.508) 6.611 18.902 ( -5.928 0.000 -0.236) 5.933 19.222 ( 3.083 0.000 1.291) 3.342 19.254 ( 1.309 0.000 -1.533) 2.016 19.566 ( -0.250 0.000 1.473) 1.494 19.585 ( 0.329 0.000 -0.448) 0.556 19.725 ( 7.027 0.000 0.144) 7.029 19.819 ( 5.251 0.000 -1.670) 5.510 20.082 ( 7.417 0.000 -0.621) 7.443 20.098 ( 7.935 0.000 1.281) 8.038 20.193 ( -0.801 0.000 0.316) 0.861 20.269 ( -0.551 0.000 -0.533) 0.767 20.422 ( 3.671 0.000 0.697) 3.737 20.462 ( -1.272 0.000 -1.600) 2.044 20.629 ( 20.326 0.000 -0.162) 20.327 20.643 ( 23.393 0.000 1.441) 23.438 21.076 ( -1.162 0.000 1.080) 1.587 21.076 ( -3.220 0.000 -1.224) 3.445 21.569 ( 9.955 0.000 -0.091) 9.956 21.627 ( 10.067 0.000 -0.286) 10.071 21.724 ( 0.142 0.000 0.218) 0.260 21.734 ( 3.319 0.000 -0.384) 3.341 21.860 ( 6.562 0.000 -0.962) 6.633 21.877 ( 6.900 0.000 0.945) 6.964 22.030 ( 0.954 0.000 0.683) 1.174 22.042 ( 2.505 0.000 -0.395) 2.535 22.788 ( 13.071 0.000 0.681) 13.089 22.789 ( 11.740 0.000 -1.237) 11.805 24.365 ( -6.625 0.000 0.368) 6.635 24.451 ( -4.775 0.000 -0.448) 4.796 25.968 ( -14.009 0.000 2.205) 14.182 26.041 ( -11.070 0.000 0.030) 11.070 26.338 ( -1.257 0.000 0.803) 1.492 26.346 ( -0.799 0.000 -0.290) 0.851 26.474 ( -7.379 0.000 0.109) 7.380 26.535 ( -7.681 0.000 -0.804) 7.723 26.895 ( -4.711 0.000 -1.684) 5.003 26.912 ( -3.628 0.000 1.626) 3.976 27.044 ( 1.339 0.000 3.385) 3.640 27.090 ( -0.684 0.000 -2.607) 2.695 27.342 ( -1.166 0.000 -3.534) 3.721 27.406 ( 6.551 0.000 4.249) 7.808 28.313 ( -4.899 0.000 0.709) 4.950 28.402 ( -3.215 0.000 -1.000) 3.367 28.794 ( -11.728 0.000 -0.365) 11.734 28.857 ( -13.181 0.000 2.061) 13.341 28.992 ( -11.146 0.000 -2.265) 11.374 29.523 ( 4.028 0.000 1.199) 4.203 29.884 ( -13.601 0.000 1.013) 13.639 30.083 ( -12.956 0.000 -7.789) 15.117 30.377 ( -15.795 0.000 -6.286) 16.999 30.918 ( -5.251 0.000 9.236) 10.624 31.381 ( 15.847 0.000 -1.359) 15.905 31.409 ( 17.828 0.000 4.032) 18.278 31.617 ( 13.845 0.000 -2.830) 14.132 31.926 ( 9.228 0.000 -6.411) 11.237 32.725 ( -1.126 0.000 3.483) 3.660 32.754 ( 0.923 0.000 -2.204) 2.389 32.997 ( -4.159 0.000 4.538) 6.156 33.267 ( -2.293 0.000 -1.929) 2.996 33.666 ( 0.293 0.000 -0.932) 0.977 33.811 ( 5.475 0.000 1.642) 5.716 34.019 ( -0.981 0.000 -0.659) 1.182 34.117 ( 1.658 0.000 0.826) 1.852 36.869 ( -4.759 0.000 1.429) 4.969 36.939 ( -5.200 0.000 -1.721) 5.477 37.487 ( -11.875 0.000 -1.431) 11.961 37.789 ( -0.237 0.000 1.652) 1.669 39.051 ( -4.227 0.000 -11.706) 12.445 39.212 ( 7.711 0.000 3.620) 8.518 39.436 ( -1.204 0.000 1.200) 1.700 39.588 ( 1.825 0.000 3.598) 4.034 39.885 ( 3.274 0.000 2.071) 3.874 39.887 ( -1.648 0.000 -0.304) 1.675 40.423 ( -2.475 0.000 1.965) 3.160 40.483 ( 4.953 0.000 1.872) 5.295 40.730 ( 1.485 0.000 8.382) 8.513 40.963 ( -2.978 0.000 -6.335) 7.000 41.021 ( -1.879 0.000 6.665) 6.924 41.399 ( -1.818 0.000 -26.147) 26.210 41.810 ( 8.505 0.000 -11.270) 14.119 42.443 ( 15.282 0.000 1.345) 15.341 42.843 ( 7.412 0.000 32.889) 33.714 43.100 ( -9.944 0.000 8.799) 13.278 43.226 ( 0.964 0.000 -8.365) 8.421 43.545 ( -2.139 0.000 -1.715) 2.742 43.627 ( -7.138 0.000 -2.807) 7.670 44.139 ( -1.295 0.000 -0.673) 1.460 ======================= Grid point 55 (23/60) ======================= q-point: (-0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( -22.344 0.000 9.160) 24.149 1.044 ( -28.427 0.000 21.051) 35.373 1.294 ( -15.646 0.000 -0.692) 15.662 1.729 ( -0.184 0.000 -24.070) 24.070 1.884 ( -44.410 0.000 21.901) 49.516 2.098 ( -13.712 0.000 8.390) 16.075 2.391 ( 2.794 0.000 -3.340) 4.354 2.411 ( -4.613 0.000 0.362) 4.627 2.523 ( -5.489 0.000 -10.928) 12.229 2.780 ( -13.897 0.000 -13.530) 19.395 2.791 ( -8.395 0.000 9.342) 12.560 2.820 ( -4.261 0.000 -1.097) 4.400 2.982 ( -5.047 0.000 4.267) 6.609 3.075 ( -4.373 0.000 -3.861) 5.834 3.187 ( 0.680 0.000 5.680) 5.721 3.224 ( 3.462 0.000 3.728) 5.088 3.470 ( -3.823 0.000 -4.732) 6.084 3.525 ( -7.930 0.000 1.049) 7.999 3.610 ( -8.422 0.000 -2.877) 8.899 3.679 ( -6.520 0.000 8.381) 10.619 3.704 ( 0.983 0.000 -4.819) 4.918 3.778 ( 1.086 0.000 -2.229) 2.479 3.829 ( -7.053 0.000 -4.828) 8.547 3.881 ( -1.759 0.000 0.394) 1.802 4.038 ( 0.731 0.000 0.554) 0.917 4.113 ( -0.445 0.000 -0.477) 0.652 4.149 ( -4.561 0.000 -1.804) 4.905 4.307 ( 5.142 0.000 -1.733) 5.426 4.309 ( -2.505 0.000 1.859) 3.119 4.326 ( -2.264 0.000 -0.929) 2.447 4.416 ( 6.483 0.000 -1.559) 6.668 4.458 ( 1.013 0.000 0.099) 1.018 4.504 ( 3.923 0.000 -2.606) 4.710 4.532 ( -0.694 0.000 -1.466) 1.622 4.625 ( -4.826 0.000 -2.035) 5.237 4.668 ( -0.995 0.000 -0.699) 1.216 4.776 ( -16.240 0.000 2.191) 16.387 4.876 ( -3.597 0.000 -4.052) 5.418 4.959 ( 2.931 0.000 3.254) 4.379 4.997 ( -0.916 0.000 3.907) 4.013 5.361 ( 1.048 0.000 1.200) 1.593 5.444 ( -3.037 0.000 -2.975) 4.251 5.489 ( -5.887 0.000 -1.051) 5.980 5.593 ( 4.053 0.000 1.262) 4.244 5.637 ( -15.076 0.000 5.256) 15.966 5.693 ( -5.184 0.000 0.451) 5.203 5.832 ( -0.691 0.000 -1.544) 1.692 5.924 ( 13.849 0.000 -5.864) 15.039 6.366 ( 2.187 0.000 -1.568) 2.691 6.373 ( -1.771 0.000 6.244) 6.490 6.496 ( -7.345 0.000 -2.292) 7.695 6.591 ( -0.503 0.000 -5.979) 6.000 6.760 ( 1.014 0.000 3.409) 3.557 6.832 ( -2.678 0.000 5.023) 5.692 6.877 ( -1.044 0.000 8.297) 8.363 7.044 ( -9.799 0.000 9.684) 13.777 7.494 ( -1.574 0.000 2.158) 2.671 7.549 ( -12.608 0.000 2.073) 12.777 7.684 ( -2.935 0.000 -8.835) 9.309 7.826 ( 2.545 0.000 -11.583) 11.859 8.304 ( 6.051 0.000 -3.393) 6.937 8.322 ( 0.464 0.000 1.019) 1.120 8.834 ( 1.883 0.000 2.144) 2.854 8.855 ( -2.528 0.000 4.263) 4.956 9.465 ( -1.278 0.000 -0.554) 1.393 9.480 ( 1.104 0.000 0.771) 1.347 9.589 ( -2.108 0.000 -0.282) 2.127 9.592 ( -3.044 0.000 -0.508) 3.086 10.165 ( -1.333 0.000 -0.417) 1.396 10.204 ( -2.735 0.000 0.255) 2.747 10.295 ( -1.128 0.000 -0.913) 1.451 10.389 ( -3.821 0.000 0.993) 3.948 11.020 ( -0.025 0.000 1.899) 1.899 11.045 ( 0.649 0.000 0.144) 0.665 11.622 ( 5.152 0.000 -0.051) 5.152 11.722 ( 6.446 0.000 -6.543) 9.184 12.064 ( 7.528 0.000 3.205) 8.181 12.076 ( 8.071 0.000 1.476) 8.205 12.524 ( 2.394 0.000 2.332) 3.343 12.584 ( 5.043 0.000 -3.556) 6.171 12.886 ( -4.249 0.000 0.881) 4.339 12.891 ( -4.117 0.000 -0.410) 4.137 13.229 ( 0.701 0.000 -0.197) 0.728 13.251 ( 0.009 0.000 0.181) 0.181 13.537 ( 10.025 0.000 1.003) 10.075 13.595 ( 9.019 0.000 -0.746) 9.050 14.421 ( 2.273 0.000 -0.910) 2.448 14.482 ( 0.501 0.000 -0.511) 0.716 14.574 ( 2.874 0.000 3.355) 4.417 14.654 ( 6.111 0.000 -2.313) 6.534 14.784 ( 12.786 0.000 0.912) 12.819 14.817 ( 12.466 0.000 -1.288) 12.532 15.914 ( 16.074 0.000 -0.953) 16.103 15.922 ( 17.043 0.000 -0.022) 17.043 16.151 ( -8.444 0.000 1.088) 8.514 16.157 ( -7.526 0.000 -2.341) 7.882 16.748 ( -22.243 0.000 0.374) 22.246 16.757 ( -22.677 0.000 -1.923) 22.758 16.880 ( -11.533 0.000 0.124) 11.533 16.937 ( -13.163 0.000 -1.170) 13.215 17.368 ( 17.042 0.000 -0.817) 17.061 17.409 ( 16.756 0.000 1.550) 16.828 18.262 ( -5.919 0.000 -0.510) 5.941 18.300 ( -7.142 0.000 0.058) 7.142 18.769 ( -4.084 0.000 0.015) 4.084 18.776 ( -6.883 0.000 0.519) 6.903 19.255 ( -1.263 0.000 -1.008) 1.616 19.264 ( -0.254 0.000 1.183) 1.210 19.541 ( -1.265 0.000 0.845) 1.521 19.554 ( -2.001 0.000 -0.728) 2.130 19.878 ( 6.982 0.000 0.610) 7.009 19.910 ( 2.598 0.000 -0.483) 2.643 20.128 ( -1.831 0.000 0.739) 1.975 20.187 ( -6.433 0.000 -0.673) 6.468 20.228 ( 6.887 0.000 1.169) 6.985 20.235 ( 3.319 0.000 0.104) 3.321 20.427 ( -0.211 0.000 -1.208) 1.226 20.444 ( -0.239 0.000 0.918) 0.948 21.012 ( 1.116 0.000 1.303) 1.716 21.014 ( -1.710 0.000 -0.791) 1.884 21.080 ( 18.736 0.000 -1.328) 18.783 21.162 ( 14.611 0.000 0.174) 14.612 21.678 ( -4.754 0.000 0.870) 4.833 21.723 ( -3.172 0.000 -2.911) 4.305 21.730 ( 3.711 0.000 0.112) 3.713 21.742 ( 1.293 0.000 0.401) 1.354 21.984 ( 3.905 0.000 0.472) 3.934 22.026 ( 5.546 0.000 -1.215) 5.678 22.145 ( 9.460 0.000 0.458) 9.471 22.196 ( 10.038 0.000 -0.022) 10.038 23.143 ( 18.381 0.000 -1.610) 18.452 23.192 ( 20.686 0.000 0.689) 20.698 24.209 ( -5.593 0.000 1.988) 5.936 24.304 ( -6.263 0.000 -1.470) 6.434 25.567 ( -22.081 0.000 2.165) 22.186 25.688 ( -21.563 0.000 0.230) 21.565 26.247 ( -2.062 0.000 0.437) 2.108 26.290 ( -0.487 0.000 0.069) 0.492 26.474 ( 3.120 0.000 1.290) 3.376 26.513 ( 1.608 0.000 -0.461) 1.673 26.758 ( -6.602 0.000 -2.201) 6.959 26.812 ( -5.577 0.000 2.974) 6.321 27.067 ( 0.477 0.000 1.460) 1.536 27.077 ( -0.261 0.000 -1.533) 1.555 27.265 ( -3.550 0.000 -2.667) 4.440 27.529 ( 3.097 0.000 1.297) 3.358 28.200 ( -4.989 0.000 0.776) 5.049 28.277 ( -7.349 0.000 -1.667) 7.535 28.607 ( -5.350 0.000 0.559) 5.379 28.626 ( -7.527 0.000 0.108) 7.527 28.715 ( -12.028 0.000 -1.161) 12.084 29.500 ( -26.277 0.000 -36.654) 45.100 29.686 ( -11.929 0.000 -7.348) 14.010 29.723 ( -2.708 0.000 -1.225) 2.972 30.247 ( 12.611 0.000 20.826) 24.346 30.826 ( -4.968 0.000 12.012) 12.999 31.692 ( 12.785 0.000 0.267) 12.788 31.738 ( 11.885 0.000 1.861) 12.030 31.838 ( 6.580 0.000 -1.993) 6.875 32.002 ( -2.322 0.000 -7.205) 7.570 32.718 ( -0.894 0.000 6.062) 6.128 32.805 ( 3.986 0.000 -3.621) 5.386 32.988 ( 5.278 0.000 9.316) 10.707 33.208 ( -2.274 0.000 -1.314) 2.626 33.683 ( 1.001 0.000 0.411) 1.082 33.915 ( 2.548 0.000 0.734) 2.651 34.001 ( 0.130 0.000 -1.064) 1.072 34.139 ( -0.019 0.000 -0.996) 0.996 36.777 ( -3.474 0.000 1.122) 3.650 36.832 ( -3.988 0.000 -1.226) 4.172 37.224 ( -10.964 0.000 -1.605) 11.080 37.670 ( -15.767 0.000 -17.648) 23.665 38.999 ( 5.424 0.000 6.024) 8.107 39.344 ( 4.079 0.000 -0.267) 4.088 39.380 ( -3.274 0.000 0.857) 3.384 39.588 ( -1.433 0.000 5.946) 6.116 39.868 ( -0.361 0.000 0.121) 0.381 40.063 ( 11.206 0.000 7.115) 13.273 40.285 ( -10.460 0.000 -0.829) 10.493 40.592 ( 4.072 0.000 0.354) 4.088 40.769 ( 0.433 0.000 6.470) 6.485 40.883 ( -3.503 0.000 -5.498) 6.519 40.973 ( -2.996 0.000 5.867) 6.588 41.353 ( 0.614 0.000 -26.544) 26.551 42.098 ( 19.221 0.000 -13.776) 23.648 42.673 ( -8.488 0.000 22.716) 24.250 42.869 ( 4.723 0.000 -11.894) 12.798 43.253 ( 2.152 0.000 -5.229) 5.654 43.281 ( 26.216 0.000 35.768) 44.347 43.441 ( -7.835 0.000 -2.457) 8.211 43.463 ( -5.465 0.000 1.626) 5.702 44.104 ( -1.530 0.000 2.079) 2.581 ======================= Grid point 56 (24/60) ======================= q-point: ( 0.00 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 1.532 19.773 17.361) 26.357 0.842 ( -14.135 15.835 27.255) 34.546 1.067 ( -7.633 21.724 24.115) 33.343 1.392 ( 0.932 12.096 2.393) 12.366 1.833 ( 9.200 2.068 -20.079) 22.183 2.003 ( 2.892 -2.210 2.099) 4.202 2.127 ( -4.339 -4.433 1.776) 6.452 2.291 ( 2.147 -8.992 -6.753) 11.449 2.402 ( -4.647 -10.618 0.650) 11.608 2.574 ( 2.603 -5.648 -13.032) 14.440 2.811 ( -2.620 -3.461 1.967) 4.765 2.876 ( 5.841 8.128 -1.834) 10.176 2.932 ( -0.396 8.271 -4.434) 9.392 3.072 ( -1.322 7.005 -2.596) 7.586 3.221 ( -0.674 3.035 4.329) 5.330 3.267 ( 1.890 -5.153 1.701) 5.746 3.299 ( 1.570 -0.718 -3.600) 3.992 3.367 ( 0.870 -2.597 -1.461) 3.104 3.536 ( -2.135 2.804 0.889) 3.635 3.584 ( -3.917 0.187 -1.636) 4.249 3.653 ( 3.940 -0.906 -2.298) 4.651 3.700 ( -2.094 1.314 -4.674) 5.287 3.779 ( 0.113 -4.316 4.076) 5.937 3.922 ( 0.713 -4.787 -3.498) 5.971 4.018 ( 1.399 -5.391 0.823) 5.630 4.035 ( 2.571 1.136 5.468) 6.148 4.176 ( 1.674 0.859 5.509) 5.821 4.243 ( -2.874 -5.306 -0.358) 6.045 4.263 ( -0.640 -2.783 -3.432) 4.465 4.374 ( 0.868 1.453 0.458) 1.753 4.438 ( -2.096 0.020 1.665) 2.677 4.487 ( -0.838 -3.687 -1.759) 4.171 4.511 ( -2.773 0.934 -3.173) 4.316 4.526 ( -1.904 1.961 2.550) 3.738 4.587 ( 1.263 4.998 0.356) 5.167 4.617 ( 2.103 1.876 -0.681) 2.899 4.727 ( -3.005 0.903 2.259) 3.866 4.800 ( -1.293 1.911 -3.681) 4.344 4.937 ( 0.450 -3.728 -0.005) 3.755 5.050 ( 4.446 -9.108 -2.887) 10.538 5.366 ( -3.810 2.380 1.999) 4.917 5.426 ( 1.748 3.741 4.873) 6.387 5.542 ( 0.543 7.824 -1.530) 7.991 5.627 ( 2.384 5.173 -1.121) 5.805 5.688 ( 2.437 3.416 1.988) 4.644 5.727 ( 4.073 3.311 3.034) 6.063 5.818 ( -2.045 -4.792 3.099) 6.062 5.869 ( -1.560 -1.614 -0.150) 2.250 6.374 ( -5.420 2.390 -4.085) 7.195 6.427 ( 0.671 1.833 -4.127) 4.566 6.539 ( -0.735 1.188 0.334) 1.436 6.575 ( 3.557 2.433 1.188) 4.471 6.682 ( -3.693 4.080 -5.942) 8.099 6.698 ( -6.275 0.714 -4.707) 7.876 6.980 ( 8.241 -1.586 8.214) 11.743 7.085 ( 3.216 -0.270 10.104) 10.607 7.368 ( -6.498 2.066 8.237) 10.693 7.448 ( -3.542 6.069 -0.266) 7.032 7.715 ( 3.637 -1.918 -8.767) 9.683 7.866 ( 0.553 -1.713 -10.473) 10.627 8.346 ( 0.128 -1.541 -0.146) 1.553 8.426 ( 3.374 0.859 -4.428) 5.633 8.729 ( -0.975 -5.497 4.333) 7.067 8.782 ( -1.341 -4.963 1.388) 5.325 9.490 ( 1.680 0.850 -0.010) 1.882 9.512 ( -2.192 1.229 -0.809) 2.641 9.538 ( -0.826 0.034 0.124) 0.836 9.543 ( 1.680 -0.285 -0.180) 1.714 10.155 ( 0.455 0.236 0.451) 0.683 10.182 ( -0.446 0.967 -0.839) 1.356 10.290 ( 1.546 -0.911 0.606) 1.894 10.304 ( -1.654 -1.636 -0.159) 2.332 11.108 ( 0.201 7.863 1.856) 8.081 11.153 ( -0.119 9.004 0.008) 9.004 11.671 ( -0.764 -0.266 0.361) 0.886 11.785 ( 0.841 -0.541 -5.206) 5.301 12.114 ( 0.041 -2.634 2.917) 3.930 12.150 ( -0.163 -0.909 0.564) 1.082 12.530 ( -0.515 -2.634 1.925) 3.303 12.646 ( 1.709 -2.778 -3.453) 4.750 12.782 ( -0.425 -2.676 1.237) 2.979 12.814 ( -0.370 -2.091 -0.089) 2.126 13.113 ( 0.106 -10.803 0.041) 10.804 13.117 ( -0.027 -11.292 -0.073) 11.292 13.817 ( 0.223 13.647 0.304) 13.652 13.831 ( -0.302 12.599 -0.181) 12.603 14.457 ( 0.547 -1.540 -1.270) 2.070 14.463 ( 0.371 -0.370 -1.119) 1.236 14.578 ( -1.134 -0.853 4.521) 4.738 14.713 ( 0.227 -0.402 -2.598) 2.638 14.914 ( -0.315 -3.395 0.873) 3.519 14.969 ( 0.110 -2.191 -1.760) 2.812 15.995 ( -0.592 0.740 0.574) 1.108 16.014 ( 0.604 1.241 -0.160) 1.390 16.234 ( 1.126 -4.508 0.919) 4.736 16.296 ( -2.456 -3.989 -1.773) 5.009 16.364 ( 3.603 6.882 -0.393) 7.778 16.387 ( -2.545 7.141 -0.817) 7.625 16.849 ( 2.039 6.636 1.521) 7.107 16.890 ( -1.653 6.721 -0.223) 6.925 17.677 ( -1.253 5.126 0.024) 5.277 17.690 ( 1.627 4.918 -0.509) 5.205 18.182 ( 0.104 -2.175 0.237) 2.190 18.191 ( -0.472 -1.861 -0.327) 1.948 18.632 ( 0.810 -3.469 1.430) 3.839 18.675 ( -0.076 -3.316 -0.792) 3.410 19.177 ( 0.369 -6.230 0.528) 6.263 19.202 ( -0.202 -4.629 -0.693) 4.685 19.540 ( 0.094 0.350 0.082) 0.371 19.541 ( -0.186 1.050 -0.025) 1.066 19.901 ( -0.050 -3.072 1.049) 3.247 19.948 ( -0.168 -3.960 -1.038) 4.097 20.058 ( -0.337 0.038 1.490) 1.528 20.112 ( 0.662 0.416 -1.504) 1.695 20.223 ( 0.240 -4.647 0.975) 4.754 20.233 ( -0.996 -4.572 0.794) 4.747 20.435 ( 0.281 1.291 0.703) 1.497 20.539 ( -0.599 1.848 -6.269) 6.563 21.026 ( 0.836 2.100 0.263) 2.275 21.038 ( -0.899 2.886 -0.439) 3.054 21.389 ( -2.263 3.953 0.493) 4.582 21.423 ( 3.355 5.214 -1.446) 6.367 21.561 ( -2.323 0.311 0.775) 2.468 21.589 ( 0.847 -0.046 -0.587) 1.032 21.768 ( -0.019 1.436 0.383) 1.487 21.812 ( -0.033 2.557 -2.798) 3.791 22.021 ( 0.126 -1.023 0.764) 1.283 22.056 ( -0.514 -0.515 -0.754) 1.048 22.318 ( 1.262 1.632 0.954) 2.273 22.377 ( -1.892 2.260 -2.566) 3.907 23.158 ( 1.737 -17.802 2.152) 18.015 23.181 ( 2.424 -18.783 1.742) 19.018 24.461 ( -0.292 17.674 2.335) 17.830 24.539 ( 0.341 18.136 -1.144) 18.175 25.254 ( 0.370 0.622 1.532) 1.694 25.323 ( -1.499 -1.263 -1.587) 2.523 26.225 ( -0.972 -1.087 0.338) 1.497 26.291 ( -1.387 -0.700 -3.185) 3.544 26.421 ( -0.340 -5.939 3.958) 7.145 26.514 ( 2.900 -4.392 -0.509) 5.288 26.758 ( 1.399 5.190 1.108) 5.489 26.870 ( 0.900 5.408 -5.323) 7.642 27.011 ( -3.475 -0.892 1.939) 4.078 27.072 ( 0.724 -0.349 -0.916) 1.218 27.335 ( -6.554 6.857 2.453) 9.798 27.392 ( 2.656 10.814 -0.909) 11.172 28.177 ( -0.147 -1.801 0.925) 2.030 28.276 ( -1.290 0.786 -4.086) 4.357 28.566 ( -0.069 1.242 -0.057) 1.245 28.584 ( 0.285 2.128 -0.128) 2.151 28.625 ( 3.267 3.370 1.665) 4.980 28.977 ( -15.577 20.123 -31.771) 40.705 29.661 ( -0.144 5.812 -2.778) 6.443 29.692 ( 0.139 -0.877 -1.479) 1.725 30.544 ( -3.699 -13.197 5.227) 14.669 30.743 ( 21.281 -16.517 0.595) 26.945 31.862 ( 0.485 -0.457 0.443) 0.800 31.868 ( -1.718 -0.668 0.323) 1.871 31.903 ( 2.153 -0.437 -0.053) 2.197 31.926 ( 1.469 -1.298 -0.759) 2.102 32.663 ( -1.585 -1.533 7.007) 7.346 32.863 ( -0.954 -1.911 0.210) 2.146 32.913 ( 1.008 -9.790 14.908) 17.863 33.141 ( 0.550 -4.471 -1.458) 4.735 33.726 ( 3.087 1.264 3.297) 4.690 33.922 ( -4.001 1.076 -6.673) 7.855 34.148 ( -1.103 5.870 0.512) 5.994 34.177 ( 2.256 5.640 -1.395) 6.232 36.745 ( -0.055 0.585 0.912) 1.085 36.786 ( -0.051 0.005 -0.892) 0.893 37.052 ( -3.956 0.055 2.124) 4.491 37.133 ( -2.949 0.784 -3.187) 4.412 39.308 ( 11.096 -6.568 7.096) 14.718 39.331 ( 0.880 -2.960 2.852) 4.203 39.507 ( 11.933 -2.198 6.292) 13.668 39.584 ( -0.690 -1.027 3.149) 3.383 39.914 ( 0.967 4.256 0.914) 4.459 40.084 ( -3.463 2.893 -8.939) 10.013 40.365 ( 8.496 3.638 2.869) 9.677 40.558 ( -4.847 -2.152 -4.736) 7.110 40.735 ( -1.569 -0.844 5.143) 5.442 40.834 ( -5.887 -1.831 7.729) 9.887 40.910 ( 0.329 0.885 -1.735) 1.975 41.291 ( 0.311 -4.414 -13.224) 13.945 41.998 ( -25.516 -6.177 24.047) 35.602 42.479 ( 5.297 -1.724 1.275) 5.714 42.827 ( 4.322 -23.738 26.495) 35.835 43.064 ( 5.075 -8.698 -1.443) 10.174 43.139 ( -5.064 -4.828 0.319) 7.004 43.269 ( 3.970 -4.184 -2.233) 6.185 43.430 ( 5.286 -8.201 12.549) 15.896 43.858 ( -3.284 -17.947 -4.998) 18.917 ======================= Grid point 57 (25/60) ======================= q-point: ( 0.14 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 17.629 14.119 14.979) 27.102 1.006 ( 27.052 13.410 12.233) 32.577 1.294 ( 12.912 20.148 -9.004) 25.569 1.866 ( 32.898 1.510 15.891) 36.566 1.940 ( 7.031 -1.893 -12.788) 14.716 2.112 ( 2.013 -2.695 3.824) 5.093 2.321 ( 8.653 -5.880 -0.256) 10.465 2.410 ( 9.099 -0.678 -0.655) 9.148 2.522 ( 24.010 -3.111 -6.995) 25.201 2.576 ( 2.175 -2.406 -5.055) 6.006 2.805 ( 2.039 -6.207 1.114) 6.627 2.904 ( 2.083 5.280 3.347) 6.590 2.948 ( -1.265 3.500 -0.482) 3.753 3.140 ( 6.560 4.346 -2.471) 8.248 3.249 ( -1.592 -1.526 5.346) 5.783 3.301 ( -1.024 -1.834 5.021) 5.443 3.343 ( 4.423 -2.753 -3.932) 6.527 3.492 ( 3.788 2.738 -3.497) 5.837 3.558 ( 5.627 -0.522 -0.720) 5.697 3.616 ( 3.855 -1.383 -1.468) 4.351 3.682 ( 0.935 -0.275 1.289) 1.616 3.793 ( 7.038 -0.412 0.508) 7.068 3.823 ( 6.944 -2.442 0.097) 7.362 3.944 ( 2.029 -3.623 -2.033) 4.623 4.009 ( -3.510 0.994 6.175) 7.172 4.078 ( 1.253 -5.977 -1.683) 6.335 4.195 ( -3.420 1.134 -2.209) 4.226 4.241 ( 2.601 -3.459 -5.459) 6.967 4.269 ( 2.460 -3.054 2.317) 4.554 4.319 ( -3.416 0.203 -1.809) 3.871 4.388 ( -1.796 1.069 -1.219) 2.419 4.452 ( 0.253 2.151 -1.290) 2.520 4.484 ( -2.196 -0.066 -3.875) 4.454 4.517 ( 2.400 -2.627 2.427) 4.307 4.648 ( 0.975 7.174 4.464) 8.505 4.687 ( 4.416 3.355 -1.873) 5.853 4.733 ( 6.125 -2.021 0.586) 6.477 4.783 ( 0.285 -2.340 0.147) 2.362 4.979 ( 4.685 -3.135 -0.028) 5.637 5.087 ( -0.696 -2.661 -4.269) 5.078 5.390 ( 4.501 0.095 3.462) 5.679 5.491 ( 3.546 2.654 -1.713) 4.749 5.621 ( 4.081 5.282 -1.336) 6.807 5.663 ( -1.457 1.842 1.222) 2.647 5.722 ( 1.462 2.929 -0.167) 3.278 5.744 ( -2.160 0.823 1.486) 2.748 5.825 ( 7.847 3.683 -3.741) 9.441 5.933 ( 4.035 4.318 4.060) 7.170 6.371 ( 4.621 0.557 -5.226) 6.998 6.425 ( -0.753 5.203 -0.662) 5.298 6.494 ( 1.382 6.510 0.525) 6.676 6.598 ( 7.581 4.707 3.310) 9.518 6.676 ( -0.775 -0.985 -2.612) 2.897 6.741 ( 9.108 0.014 4.209) 10.034 7.089 ( -2.672 1.176 6.581) 7.199 7.118 ( -2.743 -1.613 14.060) 14.416 7.329 ( 4.515 -1.179 -4.711) 6.631 7.452 ( 6.788 1.798 -2.804) 7.562 7.738 ( 0.848 -2.618 -5.398) 6.059 7.826 ( -2.319 -3.788 -6.967) 8.262 8.333 ( 0.174 0.080 -1.819) 1.829 8.452 ( 1.116 1.171 -3.348) 3.718 8.699 ( -2.852 -4.434 5.600) 7.692 8.753 ( -1.745 -3.966 2.837) 5.179 9.470 ( -0.743 0.397 -0.303) 0.896 9.501 ( 0.286 0.886 0.404) 1.015 9.564 ( 1.989 -1.504 0.039) 2.494 9.608 ( 2.667 -0.044 -0.805) 2.786 10.182 ( 1.809 0.551 -0.615) 1.989 10.201 ( 2.631 0.872 0.438) 2.806 10.313 ( 2.144 -0.923 -1.866) 2.988 10.346 ( 3.203 -1.021 2.148) 3.989 11.104 ( -0.736 8.016 1.819) 8.253 11.140 ( -1.061 8.428 0.083) 8.495 11.602 ( -5.667 0.348 -0.129) 5.680 11.731 ( -5.307 -0.371 -5.577) 7.708 12.032 ( -8.113 -2.306 3.141) 9.001 12.071 ( -7.311 -1.160 0.634) 7.429 12.483 ( -3.282 -2.422 0.988) 4.197 12.609 ( -3.703 -3.203 -1.952) 5.271 12.835 ( 4.245 -2.223 0.055) 4.792 12.851 ( 3.033 -3.469 0.405) 4.626 13.108 ( -0.419 -10.787 -0.216) 10.797 13.116 ( -0.227 -11.048 0.189) 11.052 13.706 ( -10.300 13.440 0.888) 16.957 13.732 ( -8.850 12.659 -0.651) 15.460 14.446 ( -0.809 -1.629 -1.388) 2.288 14.473 ( -0.711 -1.144 -0.951) 1.649 14.523 ( -3.839 0.166 3.510) 5.205 14.653 ( -5.622 -1.250 -1.979) 6.090 14.753 ( -12.421 -2.466 0.468) 12.672 14.802 ( -12.022 -1.787 -1.198) 12.213 15.939 ( -15.043 3.685 -0.382) 15.493 15.993 ( -15.403 5.019 -0.743) 16.217 16.134 ( 6.977 0.836 -0.165) 7.029 16.180 ( 7.291 0.561 0.103) 7.313 16.653 ( 19.015 -3.954 -0.133) 19.422 16.702 ( 18.745 -4.251 -1.259) 19.262 16.994 ( 11.176 3.909 -0.040) 11.840 17.055 ( 15.293 4.720 0.103) 16.005 17.433 ( -15.070 8.820 -0.902) 17.485 17.490 ( -15.124 8.382 1.083) 17.326 18.262 ( 6.425 -2.010 0.120) 6.733 18.267 ( 7.493 -0.715 -0.747) 7.564 18.708 ( 3.770 -5.213 0.878) 6.493 18.731 ( 3.943 -4.254 -0.471) 5.820 19.215 ( 1.965 -3.925 -0.188) 4.394 19.244 ( 2.015 -5.014 0.215) 5.408 19.547 ( 1.184 1.151 0.177) 1.661 19.560 ( 1.471 -0.279 -0.158) 1.506 19.858 ( -3.681 -2.780 0.097) 4.614 19.870 ( -3.899 -0.811 0.252) 3.990 20.135 ( 2.887 -1.045 0.058) 3.071 20.151 ( 1.989 -1.237 -0.049) 2.343 20.189 ( -2.652 -2.574 0.746) 3.770 20.211 ( -0.247 -2.550 -0.175) 2.568 20.430 ( -0.509 0.659 -0.005) 0.832 20.480 ( -2.461 1.873 -1.785) 3.571 21.026 ( -0.364 2.595 -0.494) 2.666 21.058 ( 1.511 1.216 0.333) 1.968 21.117 ( -18.714 5.784 -0.051) 19.588 21.207 ( -15.372 6.698 0.671) 16.781 21.641 ( 2.512 -2.083 -0.254) 3.274 21.694 ( 2.598 -1.806 0.076) 3.165 21.756 ( -2.178 2.321 0.489) 3.220 21.792 ( -1.888 2.199 -1.734) 3.377 21.983 ( -4.118 -0.281 0.649) 4.178 22.012 ( -3.500 0.027 -1.092) 3.666 22.177 ( -11.349 0.502 0.648) 11.379 22.186 ( -10.353 0.662 -0.136) 10.375 22.883 ( -21.562 -20.034 -0.668) 29.440 22.972 ( -21.212 -19.341 0.381) 28.708 24.493 ( 6.395 20.346 1.842) 21.406 24.564 ( 4.631 20.124 -1.454) 20.701 25.578 ( 21.011 -2.379 2.888) 21.341 25.628 ( 21.622 -2.045 -0.906) 21.738 26.208 ( 1.106 -1.658 0.305) 2.016 26.257 ( 1.137 -0.311 -0.851) 1.454 26.473 ( 3.943 -0.795 2.236) 4.602 26.560 ( -0.121 -0.922 -1.298) 1.597 26.794 ( 2.046 5.262 -0.409) 5.661 26.825 ( 0.462 2.423 -0.464) 2.510 27.025 ( 0.071 -1.459 0.311) 1.493 27.113 ( 2.285 0.120 0.141) 2.293 27.359 ( 4.943 8.141 -1.545) 9.649 27.486 ( 4.692 7.949 2.170) 9.482 28.173 ( 2.376 -3.175 0.034) 3.966 28.308 ( 4.634 -0.394 -0.078) 4.652 28.614 ( 5.350 2.347 -0.146) 5.844 28.698 ( 7.692 3.927 0.389) 8.645 28.844 ( 16.084 1.557 5.423) 17.045 29.010 ( 12.013 7.088 -17.423) 22.319 29.718 ( 2.996 -0.178 -0.967) 3.153 29.734 ( 7.681 5.293 -2.869) 9.759 30.451 ( -1.481 -7.321 -3.431) 8.220 30.955 ( -0.390 -12.807 2.168) 12.995 31.720 ( -11.871 0.304 -0.053) 11.875 31.760 ( -10.041 -0.501 2.298) 10.313 31.884 ( -3.851 -4.152 -1.618) 5.890 31.909 ( -5.281 -8.345 -7.904) 12.650 32.642 ( -0.086 0.828 5.760) 5.820 32.842 ( -0.754 -0.763 1.091) 1.530 32.964 ( 2.413 -5.470 8.732) 10.582 33.152 ( 1.111 -4.274 -2.360) 5.007 33.742 ( -2.941 -0.271 0.350) 2.974 33.854 ( -0.271 2.002 -0.654) 2.123 34.048 ( -5.268 2.913 -1.124) 6.124 34.177 ( -2.354 4.941 0.752) 5.524 36.789 ( 3.706 1.130 1.067) 4.019 36.851 ( 4.946 1.648 -1.287) 5.370 37.168 ( 12.597 -4.902 -1.916) 13.652 37.317 ( 13.301 -0.886 -0.733) 13.350 39.238 ( -8.670 -3.580 -2.693) 9.759 39.387 ( -4.469 -2.105 -1.976) 5.321 39.429 ( 1.179 1.899 -0.216) 2.246 39.756 ( -1.119 -4.064 2.591) 4.947 39.919 ( -0.446 4.271 -0.290) 4.304 40.204 ( -9.967 -0.394 7.704) 12.604 40.317 ( 9.273 -6.511 -3.632) 11.899 40.634 ( 2.505 -0.125 -4.861) 5.470 40.679 ( -3.721 -0.098 4.884) 6.141 40.781 ( 4.090 -2.516 4.151) 6.347 40.945 ( 2.637 2.399 -4.567) 5.793 41.304 ( 4.144 -0.618 -4.043) 5.822 41.710 ( -2.394 4.836 -2.492) 5.944 42.436 ( -9.422 -6.582 15.969) 19.675 42.762 ( -11.230 -8.591 16.304) 21.581 43.120 ( 9.679 -11.034 -2.530) 14.894 43.276 ( 4.211 -7.896 0.073) 8.949 43.345 ( 3.696 -1.953 -1.192) 4.347 43.568 ( 5.146 -14.561 6.789) 16.870 43.840 ( 2.626 -10.715 -4.061) 11.755 ======================= Grid point 58 (26/60) ======================= q-point: ( 0.29 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 20.864 7.062 9.470) 23.976 1.552 ( 16.381 16.009 -6.196) 23.728 1.746 ( 29.908 4.697 4.286) 30.577 2.013 ( 4.444 1.083 -6.597) 8.028 2.136 ( 2.459 -8.485 -3.186) 9.391 2.305 ( 7.906 2.180 -3.019) 8.739 2.491 ( 5.947 4.544 1.572) 7.648 2.553 ( 0.876 -3.650 -5.146) 6.370 2.783 ( -1.307 -5.394 3.284) 6.449 2.846 ( 10.383 0.179 5.432) 11.719 2.885 ( 6.819 -6.380 -0.704) 9.364 3.045 ( 7.584 1.214 -2.156) 7.978 3.087 ( 15.630 -6.443 0.097) 16.906 3.167 ( -4.249 -0.394 -0.881) 4.357 3.265 ( 2.782 -0.253 9.370) 9.777 3.319 ( 3.822 1.426 5.296) 6.685 3.451 ( 1.123 -4.180 0.735) 4.390 3.553 ( 5.833 -3.507 0.890) 6.864 3.604 ( 5.676 1.476 -0.865) 5.928 3.660 ( 1.783 -0.731 0.181) 1.936 3.778 ( 5.267 -0.259 1.205) 5.409 3.883 ( -5.635 2.313 2.101) 6.444 3.913 ( -0.057 -1.126 3.614) 3.786 3.939 ( 0.268 1.524 -0.048) 1.548 4.000 ( 0.483 -2.493 3.402) 4.246 4.110 ( 8.905 0.045 -3.084) 9.424 4.136 ( -0.491 -0.033 -2.539) 2.587 4.242 ( -2.198 3.172 -4.346) 5.812 4.294 ( -2.044 1.056 -3.580) 4.256 4.330 ( -1.417 -0.442 -0.302) 1.514 4.346 ( -1.092 -2.247 0.651) 2.582 4.408 ( 0.473 0.955 -3.847) 3.992 4.541 ( 2.236 -0.035 -0.856) 2.394 4.567 ( 4.963 -3.747 -3.738) 7.256 4.668 ( 0.782 2.072 -4.363) 4.893 4.740 ( 0.613 0.196 1.777) 1.890 4.810 ( 3.009 -1.603 1.418) 3.693 4.855 ( 1.420 0.736 3.752) 4.079 5.105 ( 3.920 1.470 -2.550) 4.902 5.127 ( 3.958 0.187 1.099) 4.113 5.344 ( -6.078 -1.109 -3.037) 6.884 5.476 ( -4.674 1.569 -2.857) 5.699 5.580 ( -6.510 0.783 0.515) 6.578 5.700 ( -1.853 -0.015 -0.660) 1.967 5.755 ( 0.732 6.048 -5.510) 8.214 5.803 ( 7.039 2.523 1.973) 7.734 6.009 ( 13.794 2.084 5.057) 14.838 6.112 ( 14.175 6.190 -1.045) 15.503 6.417 ( 0.832 1.978 -0.410) 2.184 6.535 ( 2.191 5.532 1.114) 6.054 6.573 ( 0.867 3.425 6.261) 7.189 6.673 ( 4.334 8.222 3.721) 10.011 6.876 ( 8.057 -6.106 5.194) 11.365 7.045 ( 4.994 1.082 -0.131) 5.111 7.086 ( 7.888 0.312 1.859) 8.110 7.134 ( 22.102 2.778 -1.217) 22.309 7.370 ( 1.272 -1.045 -5.340) 5.588 7.623 ( 2.401 -0.851 -9.681) 10.010 7.863 ( 12.184 -4.426 -0.591) 12.977 7.873 ( 13.489 -5.393 -0.085) 14.528 8.406 ( 8.192 0.028 -1.699) 8.366 8.537 ( 6.418 -1.512 -0.605) 6.621 8.625 ( -2.620 -1.165 3.577) 4.585 8.720 ( -1.590 -3.244 6.882) 7.773 9.471 ( 0.463 -1.140 0.437) 1.305 9.522 ( 1.277 -0.210 0.173) 1.305 9.578 ( -1.209 -1.825 0.799) 2.331 9.616 ( -2.541 -1.359 -2.383) 3.740 10.232 ( 2.671 0.955 -1.601) 3.257 10.275 ( 3.493 0.904 1.591) 3.943 10.356 ( 1.411 1.204 -1.805) 2.588 10.415 ( 2.428 -0.207 1.820) 3.041 11.092 ( -0.097 7.352 0.839) 7.400 11.117 ( -0.775 7.083 0.980) 7.193 11.439 ( -8.895 1.928 -1.199) 9.180 11.553 ( -10.345 0.501 -5.631) 11.789 11.785 ( -14.864 -1.448 3.268) 15.288 11.842 ( -13.851 -0.882 1.605) 13.971 12.427 ( -1.227 -3.689 -0.164) 3.892 12.524 ( -3.608 -3.325 -0.563) 4.939 12.902 ( 0.965 -5.368 -0.261) 5.461 12.925 ( 2.775 -4.225 0.205) 5.059 13.095 ( -0.791 -9.848 -0.433) 9.889 13.106 ( -0.726 -10.656 0.476) 10.691 13.424 ( -13.940 13.677 0.498) 19.535 13.476 ( -13.408 13.248 -1.015) 18.877 14.364 ( -9.806 -2.894 0.741) 10.250 14.396 ( -9.455 -3.880 0.075) 10.221 14.459 ( -4.072 0.102 -0.250) 4.081 14.470 ( -5.356 0.773 -2.057) 5.790 14.493 ( -7.607 -1.196 3.131) 8.313 14.607 ( -5.300 -1.034 -2.390) 5.906 15.696 ( -5.681 4.643 -0.307) 7.344 15.743 ( -6.191 4.839 -0.273) 7.862 16.128 ( -7.734 -0.504 -0.700) 7.782 16.182 ( -7.735 -1.221 0.222) 7.834 16.914 ( -3.810 3.901 -0.720) 5.500 16.984 ( -0.352 4.614 0.071) 4.628 17.259 ( 15.930 -0.411 -0.181) 15.937 17.310 ( 20.393 -5.019 0.464) 21.007 17.482 ( 19.933 7.933 -0.476) 21.458 17.558 ( 20.984 7.145 -0.160) 22.167 18.423 ( 7.961 -2.946 0.170) 8.490 18.455 ( 9.009 -1.900 -0.426) 9.217 18.788 ( 5.273 -6.180 0.548) 8.142 18.830 ( 5.699 -4.522 -0.384) 7.285 19.222 ( -0.856 -2.048 0.077) 2.221 19.244 ( -1.179 -3.380 -0.033) 3.580 19.565 ( 0.105 0.425 0.468) 0.640 19.591 ( 0.236 -0.002 -0.712) 0.750 19.742 ( -6.296 1.046 0.860) 6.440 19.821 ( -1.105 1.711 -0.922) 2.236 20.052 ( -7.562 -1.143 0.296) 7.654 20.117 ( -6.204 0.895 0.147) 6.270 20.199 ( -0.033 -2.108 0.334) 2.135 20.236 ( 0.870 -0.878 -0.641) 1.392 20.405 ( -6.089 -2.473 -1.097) 6.662 20.439 ( 0.422 1.596 0.485) 1.721 20.651 ( -22.458 6.261 -0.338) 23.317 20.772 ( -18.838 6.405 0.947) 19.920 21.060 ( 1.509 1.125 0.247) 1.898 21.117 ( 2.130 1.860 -0.124) 2.830 21.569 ( -9.153 -2.545 -0.472) 9.512 21.597 ( -12.201 -1.052 0.058) 12.246 21.712 ( -2.835 -0.677 -0.291) 2.929 21.739 ( -1.185 0.042 0.088) 1.189 21.833 ( -8.555 -2.175 -0.411) 8.837 21.885 ( -8.859 -1.696 0.416) 9.029 22.014 ( -1.387 0.073 0.542) 1.491 22.052 ( -1.379 0.664 -0.178) 1.541 22.506 ( -10.228 -18.863 0.130) 21.458 22.574 ( -12.031 -17.723 -0.601) 21.429 24.649 ( 5.704 20.105 1.831) 20.978 24.680 ( 4.795 20.662 -1.692) 21.278 25.948 ( 12.174 -3.402 2.484) 12.882 26.022 ( 13.594 -2.354 -0.728) 13.815 26.282 ( 3.897 -1.032 0.126) 4.033 26.335 ( 3.771 0.547 -0.247) 3.818 26.536 ( 4.271 3.088 0.618) 5.307 26.603 ( 5.628 3.144 -0.684) 6.483 26.848 ( 2.669 -0.741 -0.297) 2.786 26.874 ( 3.230 -1.535 -0.050) 3.577 27.008 ( -1.336 -0.798 1.100) 1.906 27.150 ( 0.672 0.153 -0.329) 0.764 27.422 ( 0.548 10.235 -0.300) 10.254 27.526 ( -1.923 6.543 0.602) 6.846 28.264 ( 4.358 -5.673 1.656) 7.343 28.395 ( 3.088 -0.968 -1.275) 3.478 28.809 ( 11.865 1.563 0.292) 11.972 28.898 ( 10.731 4.030 0.262) 11.466 29.150 ( 9.419 -2.298 -0.111) 9.696 29.229 ( 7.519 0.648 -1.072) 7.623 29.890 ( 15.028 3.484 0.945) 15.456 30.001 ( 17.146 5.524 -4.228) 18.504 30.531 ( 9.213 -3.584 -6.582) 11.876 30.898 ( -3.665 -3.079 6.781) 8.300 31.385 ( -18.624 0.942 0.050) 18.648 31.479 ( -15.722 -0.268 3.049) 16.017 31.701 ( -12.147 -7.031 -2.869) 14.325 31.726 ( -9.704 -7.560 -5.064) 13.303 32.683 ( 2.577 1.393 2.128) 3.621 32.811 ( -1.297 1.827 -0.907) 2.417 33.041 ( 3.270 -4.978 5.780) 8.299 33.178 ( 1.375 -4.541 -3.826) 6.095 33.674 ( -2.342 -1.586 -1.673) 3.286 33.848 ( -2.386 4.682 2.770) 5.940 33.963 ( -1.365 -4.147 -1.498) 4.616 34.122 ( -2.556 2.050 1.263) 3.511 36.889 ( 5.037 2.098 1.257) 5.600 36.969 ( 5.704 2.886 -1.513) 6.569 37.434 ( 10.899 -6.972 -2.280) 13.137 37.570 ( 9.248 -3.614 2.931) 10.353 39.038 ( -7.082 -1.603 -4.226) 8.402 39.289 ( -4.851 -3.802 -1.595) 6.366 39.463 ( 0.649 0.089 1.041) 1.230 39.668 ( -5.262 1.729 1.972) 5.879 39.930 ( 1.538 6.007 -0.199) 6.204 40.056 ( -2.181 9.207 0.415) 9.471 40.424 ( 0.431 -4.036 3.182) 5.158 40.571 ( -5.497 3.197 4.005) 7.515 40.621 ( -0.715 -2.461 4.497) 5.176 40.895 ( 3.898 -2.650 -1.907) 5.085 40.997 ( 2.421 1.405 -5.445) 6.123 41.427 ( 6.041 -3.562 -16.144) 17.602 41.751 ( 5.199 2.827 -8.342) 10.228 42.197 ( -12.941 1.427 10.819) 16.928 42.595 ( -6.022 -13.261 18.355) 23.431 43.224 ( -4.499 -16.522 -4.567) 17.722 43.275 ( 3.688 -3.050 7.851) 9.195 43.462 ( 5.022 -0.159 -2.546) 5.632 43.717 ( 7.769 -7.827 0.255) 11.031 43.913 ( 3.692 -2.966 -3.223) 5.728 ======================= Grid point 59 (27/60) ======================= q-point: ( 0.43 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 14.030 4.394 1.997) 14.837 1.846 ( 7.353 9.966 1.504) 12.476 1.913 ( -6.497 1.502 2.029) 6.970 2.194 ( 10.078 3.744 0.789) 10.780 2.263 ( 6.783 -6.779 -5.260) 10.937 2.459 ( 3.122 3.921 -4.606) 6.807 2.510 ( -1.863 -0.677 0.874) 2.167 2.635 ( -1.902 -1.163 2.855) 3.622 2.775 ( 9.261 -7.484 -1.359) 11.984 2.936 ( 0.582 -3.769 3.975) 5.508 2.983 ( -6.030 -7.628 0.054) 9.724 3.030 ( 5.310 -4.640 -1.559) 7.222 3.128 ( -0.216 -0.201 -2.857) 2.872 3.290 ( 0.050 -1.393 1.881) 2.341 3.315 ( -0.878 2.344 4.557) 5.199 3.394 ( 3.489 2.906 4.391) 6.317 3.451 ( 1.659 -5.307 -10.388) 11.782 3.623 ( -2.422 0.596 4.560) 5.198 3.641 ( -1.373 0.448 -0.619) 1.571 3.747 ( 1.110 -3.218 -0.490) 3.439 3.798 ( 2.918 3.851 -0.605) 4.869 3.930 ( 6.140 -1.566 1.057) 6.424 3.965 ( 0.451 0.016 2.984) 3.018 4.021 ( 8.605 -3.363 4.214) 10.154 4.069 ( -0.764 5.110 -1.814) 5.476 4.079 ( 2.137 -1.032 -1.929) 3.058 4.163 ( -0.034 3.101 -0.506) 3.142 4.198 ( -3.771 -0.720 -0.514) 3.873 4.247 ( -6.415 -0.599 3.281) 7.230 4.295 ( 2.818 -0.006 0.924) 2.966 4.363 ( 3.549 -1.537 -3.196) 5.017 4.435 ( 2.620 3.706 -5.515) 7.143 4.536 ( 0.108 2.098 0.391) 2.137 4.637 ( -3.295 -2.038 -3.066) 4.941 4.671 ( -0.344 -3.153 -0.598) 3.228 4.693 ( -3.907 1.636 1.270) 4.422 4.831 ( -1.709 1.162 5.138) 5.538 4.932 ( 6.227 1.503 1.254) 6.528 5.085 ( -1.973 3.068 -1.566) 3.969 5.158 ( -0.861 1.212 3.577) 3.873 5.269 ( -3.194 -0.917 0.331) 3.339 5.305 ( -5.404 1.636 -1.284) 5.791 5.506 ( 0.195 -1.900 1.280) 2.299 5.611 ( -3.723 -0.860 0.273) 3.831 5.865 ( 8.257 4.151 -0.504) 9.255 5.999 ( 8.690 3.017 -0.857) 9.239 6.305 ( 6.914 0.851 3.538) 7.813 6.369 ( 9.118 3.036 -3.348) 10.177 6.402 ( -1.212 3.894 -3.378) 5.295 6.461 ( -2.735 2.180 -2.996) 4.605 6.589 ( -1.823 6.585 -0.127) 6.834 6.605 ( -7.555 5.386 3.828) 10.037 6.892 ( -1.823 -3.360 -5.129) 6.397 7.044 ( -2.090 1.664 -5.951) 6.524 7.329 ( 3.428 -5.731 2.534) 7.143 7.488 ( 2.966 -5.267 0.290) 6.052 7.586 ( 13.622 7.496 2.490) 15.747 7.721 ( 8.240 4.725 1.780) 9.664 8.190 ( 18.101 -2.638 -0.818) 18.310 8.232 ( 12.101 -2.516 -0.862) 12.390 8.499 ( -2.925 -1.441 1.997) 3.824 8.625 ( -1.682 -2.660 2.671) 4.128 8.691 ( 11.790 -5.114 0.044) 12.851 8.927 ( 18.278 -5.772 2.174) 19.291 9.412 ( -11.686 -0.974 -2.160) 11.924 9.494 ( -3.430 -0.314 1.485) 3.751 9.503 ( -3.065 -0.978 0.075) 3.218 9.555 ( 0.011 -1.223 -1.223) 1.729 10.283 ( 2.318 0.443 0.300) 2.379 10.323 ( 0.764 1.636 1.056) 2.092 10.360 ( -0.748 3.119 0.401) 3.233 10.429 ( -1.213 3.276 -0.824) 3.589 11.107 ( 0.347 4.203 0.842) 4.300 11.145 ( 4.675 4.871 -0.135) 6.752 11.278 ( -4.540 3.682 -1.821) 6.122 11.332 ( -7.419 2.017 -5.303) 9.340 11.478 ( -10.259 -0.869 3.083) 10.747 11.543 ( -12.253 -0.606 2.884) 12.603 12.448 ( 2.676 -5.986 -0.952) 6.626 12.465 ( -1.919 -5.575 0.786) 5.948 12.848 ( -3.923 -2.281 -0.580) 4.574 12.893 ( -5.190 -4.035 -0.656) 6.606 13.087 ( -0.379 -9.925 0.771) 9.962 13.100 ( 0.792 -8.554 -0.626) 8.614 13.235 ( -3.277 10.630 0.416) 11.131 13.275 ( -3.769 12.241 -1.049) 12.851 14.128 ( -7.352 -2.957 0.383) 7.933 14.157 ( -7.879 -3.268 0.298) 8.535 14.386 ( -1.956 0.018 0.970) 2.183 14.421 ( -0.977 -0.628 1.715) 2.071 14.446 ( -0.382 0.697 -1.084) 1.344 14.534 ( -1.531 -0.668 -2.482) 2.992 15.704 ( 5.536 2.902 -0.314) 6.258 15.743 ( 5.524 1.817 0.210) 5.819 15.901 ( -11.033 0.242 -0.872) 11.070 15.942 ( -12.103 -0.418 0.529) 12.122 16.834 ( -1.450 10.202 0.415) 10.313 16.906 ( -2.781 12.516 -0.559) 12.834 17.644 ( 12.854 -3.055 0.237) 13.214 17.715 ( 12.070 -5.940 -1.780) 13.569 17.872 ( 12.128 1.556 0.014) 12.228 17.919 ( 8.015 1.484 0.780) 8.189 18.578 ( 5.657 -5.231 0.608) 7.729 18.617 ( 5.436 -6.167 -0.098) 8.222 18.954 ( 7.119 -4.817 -0.260) 8.600 18.971 ( 5.647 -4.123 0.380) 7.002 19.236 ( 4.361 -2.499 -0.856) 5.099 19.276 ( 6.228 -0.760 0.671) 6.310 19.483 ( -7.840 3.212 -0.693) 8.501 19.584 ( -3.678 2.374 -1.724) 4.705 19.640 ( -0.639 5.780 3.022) 6.553 19.778 ( -7.710 -0.792 0.187) 7.753 19.899 ( -1.448 2.387 -0.280) 2.806 19.919 ( -4.534 3.921 -1.266) 6.127 20.044 ( -15.597 -0.920 0.996) 15.655 20.108 ( -12.231 1.176 -1.859) 12.427 20.261 ( -7.735 1.795 1.660) 8.112 20.293 ( 0.153 0.125 -1.623) 1.635 20.467 ( 1.164 1.313 1.876) 2.569 20.588 ( -2.042 1.372 -1.280) 2.773 21.092 ( 1.084 0.946 1.110) 1.817 21.153 ( 1.055 0.687 -0.887) 1.540 21.327 ( -7.704 -4.035 0.212) 8.699 21.362 ( -6.847 -6.002 -0.611) 9.126 21.651 ( -1.324 -0.056 0.270) 1.353 21.687 ( -2.241 -0.588 0.080) 2.319 21.764 ( -0.453 -3.278 0.306) 3.324 21.789 ( -1.095 -2.305 -0.318) 2.572 22.019 ( 0.577 -0.000 0.467) 0.742 22.050 ( 0.145 0.715 -0.405) 0.834 22.400 ( -1.638 -16.169 0.690) 16.266 22.439 ( -2.357 -15.866 -0.620) 16.052 24.718 ( 1.192 19.961 0.680) 20.008 24.745 ( 1.474 20.823 -0.859) 20.893 26.109 ( 3.398 -4.127 2.352) 5.840 26.195 ( 3.224 -3.901 -0.579) 5.093 26.325 ( 0.719 4.012 0.299) 4.087 26.354 ( -0.353 5.272 -0.376) 5.298 26.716 ( 8.480 -3.179 1.351) 9.157 26.776 ( 8.518 -0.558 -1.050) 8.601 26.889 ( 0.928 -3.337 -0.492) 3.499 26.941 ( 3.154 -0.669 -0.517) 3.265 26.966 ( -2.257 0.087 1.791) 2.883 27.098 ( -6.392 -0.668 -1.521) 6.605 27.396 ( -1.848 11.413 0.759) 11.587 27.451 ( -2.872 10.515 -1.014) 10.947 28.331 ( 1.632 -5.292 2.184) 5.953 28.436 ( 0.884 -1.009 -1.752) 2.207 29.043 ( 8.452 0.982 -0.612) 8.531 29.101 ( 5.621 1.494 0.446) 5.833 29.256 ( -0.463 -1.904 3.949) 4.408 29.306 ( 2.992 0.076 -3.967) 4.969 30.292 ( 17.783 3.150 0.278) 18.062 30.365 ( 13.625 6.339 -0.487) 15.036 30.772 ( 11.389 -1.663 -4.596) 12.394 30.858 ( 1.100 0.308 2.804) 3.027 30.985 ( -14.987 0.028 1.347) 15.047 31.121 ( -17.719 -0.103 1.475) 17.780 31.415 ( -13.578 -4.811 5.723) 15.500 31.562 ( -2.500 -9.746 -8.565) 13.214 32.730 ( 1.368 1.085 1.213) 2.126 32.796 ( -0.201 2.186 -1.070) 2.443 33.088 ( 0.168 -4.339 3.956) 5.874 33.202 ( 1.350 -5.323 -3.274) 6.394 33.648 ( -0.013 -1.563 -0.205) 1.576 33.768 ( -3.692 2.374 -2.929) 5.277 33.980 ( 1.806 -3.854 2.990) 5.202 34.078 ( -1.604 0.033 0.584) 1.707 36.978 ( 2.480 2.925 1.528) 4.128 37.061 ( 2.538 3.043 -1.865) 4.379 37.610 ( 5.820 -6.132 -0.141) 8.455 37.688 ( 1.209 -5.302 1.727) 5.706 38.960 ( -0.043 -0.995 0.101) 1.001 39.179 ( -4.609 -5.043 -3.556) 7.702 39.467 ( 0.022 1.630 2.386) 2.889 39.584 ( -2.469 3.899 -1.149) 4.756 39.974 ( 2.070 7.124 -0.030) 7.418 40.045 ( -0.457 9.781 -1.136) 9.857 40.405 ( -1.270 -0.684 2.792) 3.142 40.474 ( -3.426 3.229 1.614) 4.976 40.642 ( 1.474 -2.370 8.842) 9.272 40.953 ( 2.075 -2.727 -2.368) 4.165 41.028 ( 1.000 0.448 -3.000) 3.194 41.473 ( 0.545 -4.759 -22.074) 22.587 41.882 ( 5.154 2.155 -2.229) 6.015 41.977 ( -5.265 4.248 2.184) 7.109 42.531 ( -2.615 -14.356 20.616) 25.258 43.129 ( -2.928 -15.349 -7.645) 17.396 43.328 ( -0.003 0.434 9.442) 9.452 43.534 ( 2.029 0.251 -1.752) 2.692 43.811 ( -0.284 -4.323 4.988) 6.606 44.000 ( 5.232 -3.186 -8.353) 10.358 ======================= Grid point 60 (28/60) ======================= q-point: (-0.43 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -16.645 5.580 1.447) 17.615 1.905 ( -2.299 8.559 0.351) 8.869 1.993 ( -2.747 2.384 5.310) 6.436 2.261 ( -0.317 -0.078 -5.861) 5.870 2.308 ( -4.530 2.122 -1.609) 5.254 2.416 ( -3.969 -0.422 4.671) 6.144 2.463 ( -4.616 2.708 -6.367) 8.317 2.655 ( 5.379 -5.870 2.158) 8.249 2.802 ( -8.585 -7.332 -3.123) 11.714 2.849 ( -2.174 -9.549 2.029) 10.002 2.987 ( -4.368 -4.544 1.643) 6.513 3.041 ( 3.057 -1.683 1.603) 3.840 3.104 ( -2.858 -3.069 -1.759) 4.548 3.249 ( -3.199 1.242 -1.074) 3.596 3.340 ( -0.695 3.492 1.552) 3.884 3.345 ( 0.978 1.300 1.148) 1.991 3.524 ( 1.927 -3.223 -0.586) 3.801 3.570 ( -2.196 3.536 1.840) 4.551 3.726 ( 4.298 -0.498 -6.237) 7.591 3.756 ( -4.434 -0.111 2.150) 4.929 3.811 ( 0.861 1.359 2.275) 2.787 3.839 ( -6.654 3.098 6.265) 9.650 3.937 ( 0.259 -2.308 -2.167) 3.176 4.014 ( -11.347 -3.445 2.836) 12.193 4.051 ( -0.948 -0.402 -3.465) 3.615 4.138 ( -0.534 -0.073 -0.295) 0.614 4.173 ( -1.409 -4.854 1.032) 5.159 4.215 ( 4.286 4.691 2.413) 6.797 4.248 ( 4.847 -1.202 0.162) 4.996 4.292 ( 1.738 -2.275 -1.261) 3.128 4.404 ( -1.745 -1.383 -3.465) 4.118 4.481 ( 1.093 2.576 -2.683) 3.877 4.534 ( -5.036 0.565 0.675) 5.113 4.541 ( -0.414 2.167 -3.250) 3.928 4.646 ( 5.751 0.748 0.836) 5.859 4.730 ( 1.250 -0.525 0.497) 1.444 4.844 ( 1.883 0.375 4.904) 5.266 4.973 ( -0.709 2.818 -0.046) 2.907 5.093 ( 0.072 2.848 -0.049) 2.850 5.159 ( -1.663 -0.361 3.025) 3.471 5.237 ( 4.572 -1.959 -1.802) 5.290 5.362 ( 8.832 3.106 0.439) 9.372 5.518 ( -0.543 -2.314 1.194) 2.660 5.578 ( 2.032 0.110 -0.229) 2.048 5.958 ( -2.420 2.298 4.176) 5.346 5.994 ( -9.432 5.058 -3.793) 11.355 6.242 ( -7.324 0.110 2.204) 7.649 6.344 ( -1.355 2.483 -0.904) 2.969 6.416 ( -5.121 2.060 -4.322) 7.011 6.476 ( -1.599 3.628 -2.625) 4.755 6.537 ( -0.361 5.108 -3.318) 6.102 6.613 ( 4.920 7.715 3.101) 9.661 6.900 ( 4.409 -0.904 -2.856) 5.330 7.004 ( 0.873 2.263 -6.278) 6.731 7.322 ( -6.848 -6.542 4.071) 10.308 7.426 ( -8.974 -3.030 0.194) 9.474 7.651 ( -12.364 6.735 3.739) 14.567 7.677 ( -2.612 3.613 -0.469) 4.483 8.205 ( -14.440 -3.257 -1.019) 14.838 8.242 ( -12.846 -2.656 -0.565) 13.130 8.573 ( 1.176 -2.384 0.801) 2.776 8.658 ( 5.464 -3.147 2.472) 6.773 8.751 ( -13.519 -5.893 3.792) 15.228 8.781 ( -15.313 -3.734 -0.609) 15.774 9.422 ( 0.837 -0.059 -2.069) 2.233 9.487 ( 9.529 -1.376 1.039) 9.683 9.510 ( 1.487 -0.878 0.737) 1.877 9.553 ( 1.352 -1.660 -1.319) 2.515 10.280 ( -2.376 0.134 0.557) 2.444 10.342 ( -1.169 1.793 0.736) 2.264 10.360 ( 1.435 1.932 0.641) 2.491 10.414 ( 1.289 4.615 -1.023) 4.900 11.111 ( -0.620 5.058 0.817) 5.161 11.151 ( -2.970 4.637 0.280) 5.514 11.288 ( 6.956 0.989 -4.138) 8.154 11.352 ( 4.512 3.123 -3.951) 6.762 11.465 ( 11.477 -0.471 3.012) 11.875 11.532 ( 11.280 -0.333 3.550) 11.830 12.432 ( -0.176 -5.345 -0.421) 5.364 12.478 ( -1.252 -6.207 0.240) 6.336 12.866 ( 5.845 -3.174 -0.165) 6.653 12.873 ( 3.772 -2.870 -1.078) 4.861 13.072 ( -0.638 -9.516 0.316) 9.542 13.113 ( -0.055 -9.242 -0.158) 9.243 13.232 ( 3.114 11.626 0.402) 12.043 13.273 ( 3.669 11.467 -1.029) 12.084 14.138 ( 7.786 -3.355 0.468) 8.491 14.152 ( 7.706 -3.014 0.206) 8.277 14.369 ( 0.198 0.328 0.948) 1.023 14.429 ( 1.425 -0.782 1.247) 2.048 14.455 ( 1.412 0.696 -0.546) 1.666 14.533 ( 1.740 -0.541 -2.536) 3.123 15.718 ( -5.108 2.370 -0.865) 5.697 15.727 ( -5.791 2.266 0.753) 6.264 15.905 ( 11.362 0.114 -0.976) 11.405 15.939 ( 11.585 -0.252 0.647) 11.606 16.858 ( 3.464 10.889 1.540) 11.530 16.880 ( 0.558 11.653 -1.683) 11.787 17.638 ( -12.485 -4.139 0.122) 13.154 17.721 ( -13.043 -3.787 -1.684) 13.686 17.866 ( -10.840 0.720 0.144) 10.865 17.925 ( -8.617 1.411 0.674) 8.757 18.590 ( -5.081 -4.703 1.162) 7.021 18.605 ( -6.250 -6.303 -0.638) 8.899 18.945 ( -7.695 -5.968 -0.198) 9.740 18.975 ( -4.905 -3.261 0.301) 5.898 19.232 ( -4.853 -0.963 -0.755) 5.005 19.277 ( -5.287 -2.506 0.586) 5.880 19.484 ( 5.930 2.993 -0.712) 6.680 19.569 ( 3.730 5.348 -0.744) 6.562 19.689 ( 3.435 2.418 3.337) 5.365 19.744 ( 4.703 1.312 -1.219) 5.032 19.894 ( 4.764 2.367 -0.358) 5.332 19.921 ( 3.242 2.312 -1.054) 4.119 20.053 ( 15.424 -1.611 0.987) 15.539 20.134 ( 16.571 3.216 -2.697) 17.095 20.213 ( -0.228 0.455 1.748) 1.821 20.306 ( 1.889 -0.197 -0.787) 2.055 20.499 ( 2.450 1.912 2.820) 4.197 20.566 ( 0.038 1.555 -2.316) 2.790 21.100 ( -0.526 0.529 1.387) 1.575 21.147 ( -1.520 0.873 -1.169) 2.107 21.334 ( 7.925 -4.927 0.491) 9.345 21.357 ( 6.719 -4.801 -0.889) 8.306 21.662 ( 1.486 -0.734 0.359) 1.696 21.678 ( 2.253 -0.325 -0.005) 2.277 21.766 ( 0.488 -3.019 0.367) 3.080 21.786 ( 0.723 -2.324 -0.383) 2.464 22.026 ( -0.039 0.016 0.684) 0.686 22.045 ( -0.433 0.597 -0.626) 0.967 22.406 ( 2.201 -16.265 0.921) 16.439 22.436 ( 2.017 -16.013 -0.854) 16.163 24.710 ( -2.178 20.172 0.375) 20.293 24.752 ( -0.541 20.672 -0.549) 20.687 26.124 ( -2.716 -4.043 2.811) 5.623 26.189 ( -3.446 -3.967 -1.025) 5.354 26.328 ( -0.356 4.267 0.443) 4.304 26.348 ( -0.150 4.955 -0.518) 4.984 26.704 ( -8.932 -2.735 0.948) 9.390 26.785 ( -7.923 -2.238 -0.795) 8.271 26.918 ( -2.052 -2.590 0.515) 3.344 26.930 ( -2.932 -0.759 -1.521) 3.389 26.982 ( 4.289 0.262 3.167) 5.338 27.059 ( 4.752 -0.441 -2.772) 5.519 27.401 ( 2.439 10.546 1.035) 10.874 27.441 ( 1.593 11.484 -1.277) 11.664 28.340 ( -1.091 -4.323 2.507) 5.115 28.428 ( -1.360 -1.635 -2.083) 2.977 29.056 ( -8.483 1.737 -0.944) 8.710 29.121 ( -2.791 0.507 0.966) 2.996 29.138 ( -8.276 0.021 0.571) 8.295 29.405 ( 4.372 -2.108 -0.752) 4.911 30.296 ( -18.862 3.211 0.266) 19.135 30.387 ( -6.594 6.334 -0.443) 9.154 30.739 ( -17.146 -0.111 -2.600) 17.343 30.934 ( 8.217 -0.140 -1.721) 8.397 31.025 ( 8.267 -2.408 3.883) 9.446 31.065 ( 13.632 0.238 2.427) 13.849 31.293 ( 8.490 -4.593 0.510) 9.666 31.631 ( 8.715 -8.138 -4.389) 12.705 32.736 ( -0.912 0.541 1.409) 1.763 32.793 ( -0.087 2.428 -1.268) 2.741 33.056 ( -3.299 -3.152 2.914) 5.414 33.219 ( 0.166 -6.084 -2.217) 6.478 33.657 ( -0.004 -1.204 0.082) 1.207 33.729 ( 1.672 0.877 -2.558) 3.180 34.015 ( 0.337 -2.001 2.615) 3.310 34.068 ( 1.310 -1.015 0.310) 1.686 36.981 ( -2.466 3.061 1.638) 4.259 37.059 ( -2.464 2.927 -1.971) 4.304 37.627 ( -6.288 -5.830 -0.417) 8.585 37.693 ( 1.577 -6.119 2.020) 6.634 39.022 ( 4.713 -1.980 3.034) 5.945 39.100 ( -1.770 -3.752 -6.516) 7.725 39.470 ( -0.369 2.770 2.398) 3.683 39.571 ( 1.541 2.906 -1.096) 3.467 39.998 ( -0.166 8.123 1.108) 8.200 40.005 ( -2.707 8.575 -2.093) 9.232 40.402 ( 0.613 -0.023 3.415) 3.470 40.447 ( 0.755 2.116 0.739) 2.365 40.679 ( 0.684 -1.712 9.195) 9.378 40.985 ( 1.177 -2.463 -5.305) 5.967 41.034 ( -0.257 0.488 2.176) 2.245 41.421 ( -2.213 -4.685 -23.806) 24.363 41.825 ( -2.182 6.164 -1.321) 6.671 42.128 ( 11.465 -1.067 -1.362) 11.595 42.525 ( -0.432 -15.769 23.483) 28.290 43.090 ( 0.230 -13.397 -9.174) 16.239 43.285 ( -5.394 1.972 9.828) 11.383 43.544 ( -0.836 -0.835 -1.751) 2.113 43.746 ( -5.307 -2.514 1.638) 6.096 44.075 ( 1.789 -5.239 -4.937) 7.417 ======================= Grid point 61 (29/60) ======================= q-point: (-0.29 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -19.234 10.228 4.173) 22.180 1.645 ( -21.584 5.379 6.723) 23.238 1.767 ( -16.077 5.018 -3.915) 17.291 2.029 ( -14.898 8.057 -9.119) 19.236 2.218 ( -4.756 3.504 -0.723) 5.951 2.319 ( -6.963 -1.400 1.395) 7.238 2.379 ( -0.580 -1.955 -4.294) 4.754 2.679 ( -1.419 -0.428 -6.174) 6.350 2.686 ( -7.213 -4.362 -0.232) 8.432 2.816 ( 0.315 -7.808 3.195) 8.442 2.907 ( -9.180 -3.459 3.990) 10.591 3.022 ( -9.376 -3.207 8.537) 13.080 3.046 ( -2.033 -0.608 -0.314) 2.145 3.144 ( -6.386 -2.172 -1.101) 6.834 3.267 ( -5.054 3.699 7.721) 9.941 3.369 ( -3.718 3.663 0.715) 5.268 3.453 ( -5.318 -1.958 0.635) 5.702 3.562 ( 1.638 -0.017 -2.060) 2.632 3.593 ( -0.983 -7.224 3.880) 8.259 3.694 ( -5.572 -0.687 1.534) 5.820 3.758 ( -3.486 -1.351 2.255) 4.366 3.777 ( -3.721 2.252 -3.770) 5.756 3.900 ( 0.583 -0.383 3.799) 3.862 3.997 ( -1.331 -4.203 1.629) 4.700 4.034 ( 2.796 -2.467 -4.063) 5.515 4.068 ( -7.454 -2.090 2.875) 8.258 4.169 ( 3.512 -1.372 -3.431) 5.098 4.273 ( 0.976 1.915 -2.511) 3.305 4.295 ( -0.787 -4.024 0.134) 4.103 4.351 ( 0.376 0.885 -1.620) 1.884 4.398 ( -2.819 -0.924 2.140) 3.658 4.435 ( 4.004 2.181 -7.037) 8.385 4.500 ( -1.583 -1.307 -5.236) 5.624 4.533 ( -0.379 3.647 2.198) 4.275 4.667 ( -1.685 -2.473 -2.079) 3.643 4.749 ( -0.601 1.371 -0.656) 1.635 4.884 ( -0.060 3.184 -0.423) 3.213 4.901 ( -3.981 2.325 5.262) 6.996 5.053 ( -2.093 -0.919 -2.884) 3.680 5.142 ( -3.389 2.751 1.411) 4.587 5.348 ( -0.458 -1.700 -3.646) 4.049 5.425 ( 4.960 -1.076 -2.269) 5.559 5.656 ( 6.530 -1.106 0.845) 6.677 5.668 ( 5.379 0.650 -0.081) 5.419 5.717 ( -13.391 6.153 -3.218) 15.084 5.799 ( -8.508 6.688 -2.771) 11.171 6.063 ( -9.718 1.470 2.316) 10.098 6.148 ( -18.460 2.819 1.040) 18.703 6.371 ( -0.477 3.554 0.224) 3.593 6.477 ( 6.707 2.781 10.289) 12.593 6.535 ( 0.876 7.871 -0.465) 7.933 6.670 ( -6.408 2.511 2.392) 7.286 6.849 ( -6.423 0.466 6.747) 9.327 6.922 ( -14.832 4.369 -4.194) 16.021 7.098 ( -11.913 1.611 0.455) 12.030 7.219 ( -1.250 -0.814 -0.345) 1.531 7.404 ( -3.717 -0.766 -3.331) 5.050 7.678 ( 0.378 -1.944 -9.162) 9.374 7.866 ( -13.633 -5.591 -0.399) 14.740 7.888 ( -14.474 -4.187 -0.406) 15.072 8.337 ( -9.092 1.558 -1.695) 9.379 8.426 ( -11.183 -1.160 3.307) 11.720 8.715 ( 4.258 -3.268 0.634) 5.405 8.806 ( 0.636 -5.081 6.374) 8.176 9.450 ( 1.075 -0.514 0.416) 1.262 9.501 ( -1.432 -0.611 -0.242) 1.575 9.567 ( 2.088 -1.886 -0.060) 2.814 9.628 ( 1.035 -0.699 -1.321) 1.818 10.221 ( -2.929 0.703 -0.863) 3.133 10.288 ( -3.756 0.919 0.930) 3.977 10.336 ( -2.453 0.156 -1.184) 2.728 10.443 ( -0.853 0.888 1.091) 1.646 11.087 ( -0.511 5.982 0.688) 6.043 11.133 ( 0.320 8.238 1.256) 8.339 11.477 ( 8.824 0.997 -1.205) 8.962 11.529 ( 11.300 0.501 -5.341) 12.508 11.807 ( 14.491 -0.873 2.096) 14.668 11.815 ( 13.890 -0.776 2.380) 14.113 12.458 ( 0.404 -3.683 1.508) 4.001 12.473 ( 3.851 -2.977 -2.246) 5.360 12.899 ( -2.189 -5.118 -0.107) 5.567 12.933 ( -1.440 -4.142 0.068) 4.386 13.085 ( 1.355 -9.999 -0.170) 10.092 13.112 ( 0.275 -10.707 0.207) 10.713 13.428 ( 13.967 14.321 0.663) 20.015 13.470 ( 13.935 12.586 -1.173) 18.814 14.370 ( 4.988 -1.869 0.820) 5.389 14.387 ( 10.506 -3.967 0.355) 11.235 14.420 ( 10.282 -1.172 -0.758) 10.376 14.474 ( 2.653 -0.058 0.062) 2.654 14.530 ( 7.233 0.210 1.201) 7.335 14.604 ( 5.534 -0.839 -2.442) 6.107 15.715 ( 6.109 4.663 -0.137) 7.686 15.726 ( 6.145 4.778 -0.435) 7.796 16.141 ( 8.311 -1.377 -1.139) 8.501 16.170 ( 7.465 -0.410 0.632) 7.503 16.926 ( 1.487 3.438 -1.052) 3.891 16.966 ( 3.226 4.941 0.388) 5.913 17.262 ( -17.415 -1.389 -0.512) 17.478 17.285 ( -20.830 -1.895 0.889) 20.935 17.488 ( -19.957 7.545 -0.397) 21.339 17.570 ( -20.083 6.027 -0.271) 20.970 18.429 ( -8.853 -0.977 0.421) 8.916 18.444 ( -7.944 -3.974 -0.661) 8.907 18.786 ( -5.650 -5.957 0.423) 8.221 18.838 ( -5.361 -4.710 -0.245) 7.140 19.220 ( 1.260 -2.236 0.102) 2.569 19.244 ( 0.743 -3.386 -0.046) 3.467 19.561 ( -0.248 0.661 0.414) 0.818 19.589 ( 0.337 0.232 -0.659) 0.776 19.760 ( 5.260 2.242 1.487) 5.908 19.807 ( 2.085 0.694 -1.589) 2.712 20.071 ( 7.060 -0.562 0.554) 7.104 20.098 ( 6.479 -0.475 -0.079) 6.497 20.192 ( -1.205 -0.423 0.142) 1.285 20.243 ( 0.213 -1.729 -0.460) 1.802 20.392 ( 4.597 -0.671 -0.856) 4.724 20.433 ( 2.362 -0.815 0.350) 2.523 20.695 ( 19.458 5.652 -1.101) 20.292 20.764 ( 21.700 7.362 1.549) 22.967 21.075 ( -1.806 0.575 0.449) 1.948 21.102 ( -2.183 1.912 -0.334) 2.921 21.566 ( 10.689 -1.186 -0.479) 10.765 21.598 ( 9.981 -2.720 0.103) 10.345 21.723 ( 2.928 -0.952 -0.603) 3.138 21.735 ( 2.247 0.640 0.334) 2.360 21.841 ( 8.188 -2.011 -1.018) 8.492 21.862 ( 8.156 -1.623 1.065) 8.383 22.032 ( 1.380 0.224 0.923) 1.675 22.045 ( 1.829 0.325 -0.610) 1.955 22.534 ( 11.551 -18.841 1.325) 22.139 22.547 ( 9.882 -18.617 -1.788) 21.153 24.625 ( -5.873 20.720 0.700) 21.548 24.705 ( -4.462 20.274 -0.540) 20.766 25.959 ( -13.639 -2.232 2.583) 14.059 26.027 ( -12.113 -3.221 -0.833) 12.561 26.299 ( -3.398 -1.195 0.430) 3.627 26.321 ( -3.484 0.188 -0.570) 3.535 26.522 ( -5.337 2.195 0.486) 5.792 26.601 ( -5.665 3.567 -0.541) 6.716 26.857 ( -3.132 -2.018 0.123) 3.728 26.883 ( -2.654 -1.255 -0.674) 3.012 27.052 ( 1.314 0.055 3.129) 3.394 27.095 ( -0.171 0.206 -2.145) 2.162 27.456 ( -0.474 9.862 -1.855) 10.047 27.477 ( 2.611 6.705 2.145) 7.509 28.296 ( -2.883 -2.216 2.887) 4.643 28.367 ( -4.468 -3.394 -2.505) 6.144 28.821 ( -11.414 2.607 0.371) 11.714 28.892 ( -12.141 2.684 0.499) 12.444 28.992 ( -10.402 0.173 -1.116) 10.463 29.466 ( 1.873 -5.419 0.362) 5.745 29.906 ( -14.391 2.546 1.136) 14.659 30.189 ( -9.831 8.741 -6.173) 14.531 30.381 ( -15.669 0.329 -7.780) 17.497 30.833 ( -7.827 -7.797 8.749) 14.093 31.377 ( 17.048 -0.135 -0.053) 17.049 31.412 ( 16.788 0.522 1.583) 16.870 31.596 ( 14.630 -1.811 -2.844) 15.014 31.845 ( 9.711 -7.138 -3.351) 12.509 32.709 ( -1.485 -0.117 3.192) 3.523 32.787 ( -0.132 1.970 -1.821) 2.686 32.977 ( -3.904 -1.933 4.198) 6.050 33.194 ( -2.157 -6.186 -2.258) 6.929 33.653 ( 0.262 -0.784 -1.143) 1.410 33.828 ( 6.749 0.981 1.580) 7.001 34.008 ( -0.541 -0.581 -0.934) 1.226 34.122 ( 2.968 0.198 1.360) 3.271 36.893 ( -5.252 2.273 1.378) 5.886 36.967 ( -5.432 2.722 -1.623) 6.289 37.430 ( -11.417 -5.200 -1.263) 12.609 37.686 ( -2.934 -8.692 1.787) 9.347 39.023 ( -2.375 -1.814 -7.924) 8.469 39.190 ( 7.130 -2.514 2.581) 7.988 39.455 ( -1.180 2.194 1.042) 2.701 39.622 ( 1.947 1.985 2.353) 3.643 39.952 ( -1.509 5.774 -1.309) 6.110 39.995 ( 1.293 9.608 1.827) 9.865 40.397 ( -3.027 -2.289 2.491) 4.539 40.500 ( 4.060 1.542 1.367) 4.553 40.707 ( 1.362 -1.536 6.905) 7.203 40.969 ( -1.831 0.606 -6.237) 6.528 41.025 ( -1.533 -0.109 6.222) 6.409 41.342 ( -1.966 -5.034 -24.947) 25.526 41.865 ( 6.836 5.085 -8.239) 11.852 42.391 ( 12.321 -5.714 8.107) 15.817 42.579 ( 2.954 -18.831 26.459) 32.610 43.078 ( -6.288 -6.146 -2.770) 9.219 43.147 ( -2.651 -3.033 0.645) 4.080 43.496 ( -3.451 -2.976 -1.989) 4.972 43.607 ( -7.747 -2.755 -0.761) 8.257 44.054 ( -3.257 -7.657 -1.445) 8.445 ======================= Grid point 62 (30/60) ======================= q-point: (-0.14 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -14.845 17.398 9.707) 24.845 1.124 ( -23.189 7.088 20.355) 31.659 1.454 ( -11.445 14.663 -5.889) 19.511 1.786 ( -5.408 4.004 -22.276) 23.270 1.961 ( -41.022 6.494 19.137) 45.729 2.103 ( -7.806 1.266 3.733) 8.745 2.275 ( -10.766 -5.660 1.174) 12.220 2.424 ( 3.616 -5.803 -4.124) 7.985 2.538 ( -20.311 0.235 -6.259) 21.255 2.589 ( -6.388 -7.223 0.936) 9.688 2.803 ( -6.050 2.938 -1.494) 6.890 2.844 ( 1.420 -3.923 -0.254) 4.180 2.986 ( -1.089 1.125 1.735) 2.337 3.110 ( -2.081 2.624 0.590) 3.400 3.224 ( 0.133 2.723 3.866) 4.731 3.269 ( -1.417 2.101 0.106) 2.536 3.419 ( -1.612 -4.023 -3.344) 5.474 3.502 ( -12.716 -5.885 -4.846) 14.826 3.540 ( -3.890 0.557 -1.529) 4.217 3.665 ( -3.550 1.015 4.852) 6.097 3.685 ( 1.678 -6.337 -1.730) 6.780 3.736 ( -0.896 -0.377 1.446) 1.743 3.864 ( -7.365 0.346 1.120) 7.457 3.943 ( -3.024 0.310 -4.263) 5.236 3.959 ( 2.861 -1.441 6.199) 6.978 4.010 ( -3.729 -7.443 -4.061) 9.262 4.184 ( -2.257 0.463 1.233) 2.613 4.232 ( 2.166 -4.772 -1.786) 5.537 4.286 ( -0.143 -2.319 -3.089) 3.865 4.379 ( 0.411 2.826 -1.486) 3.219 4.419 ( 4.751 -1.440 0.190) 4.968 4.479 ( 1.159 -0.369 -2.670) 2.934 4.506 ( -0.605 0.397 -0.721) 1.022 4.558 ( 1.091 1.561 3.910) 4.349 4.619 ( -2.091 0.913 -2.801) 3.613 4.706 ( -2.873 0.717 -1.560) 3.347 4.747 ( -10.288 -0.023 3.975) 11.030 4.844 ( -2.146 -1.254 0.203) 2.494 4.969 ( -2.532 2.247 -2.228) 4.052 5.031 ( -3.757 -0.416 -2.398) 4.476 5.381 ( 3.261 3.035 3.275) 5.529 5.482 ( -5.263 3.622 -1.402) 6.540 5.576 ( 3.703 3.703 1.715) 5.511 5.590 ( -5.974 5.415 0.610) 8.085 5.701 ( -6.355 4.196 -2.200) 7.927 5.770 ( 2.723 -1.766 0.638) 3.308 5.787 ( -6.015 1.892 1.310) 6.440 5.919 ( -4.981 3.621 -0.008) 6.158 6.377 ( 3.629 1.340 -2.142) 4.422 6.470 ( -4.818 -0.181 -2.390) 5.381 6.544 ( -1.184 7.357 2.257) 7.786 6.613 ( 1.063 2.688 -1.969) 3.498 6.733 ( -10.518 -4.326 2.670) 11.682 6.783 ( 1.230 2.161 0.824) 2.619 6.960 ( 4.293 3.465 7.693) 9.466 7.041 ( -10.692 -0.581 5.684) 12.123 7.493 ( -1.488 0.102 2.971) 3.324 7.559 ( -6.904 0.691 1.008) 7.011 7.649 ( -2.230 -3.028 -7.396) 8.297 7.812 ( 4.294 -1.891 -9.849) 10.910 8.315 ( 2.269 0.308 -0.436) 2.332 8.328 ( 2.874 1.496 -1.846) 3.729 8.760 ( -1.135 -5.797 3.564) 6.899 8.799 ( -0.543 -5.129 2.452) 5.711 9.466 ( 0.262 0.616 -0.529) 0.853 9.488 ( 1.098 0.193 0.629) 1.280 9.576 ( -1.254 -0.956 0.470) 1.646 9.597 ( -3.158 -0.065 -1.211) 3.383 10.167 ( -1.663 0.444 -0.280) 1.744 10.215 ( -2.646 0.952 0.108) 2.814 10.288 ( -1.393 -0.641 -0.610) 1.651 10.377 ( -4.359 -1.350 0.880) 4.648 11.095 ( 0.733 7.286 1.413) 7.458 11.148 ( 0.587 9.228 0.418) 9.256 11.628 ( 4.804 0.198 0.161) 4.811 11.716 ( 6.310 -0.496 -5.538) 8.410 12.030 ( 7.215 -2.555 2.851) 8.168 12.069 ( 7.889 -0.388 0.707) 7.930 12.497 ( 2.472 -2.854 2.222) 4.382 12.569 ( 4.865 -2.095 -3.036) 6.106 12.830 ( -3.395 -3.744 0.190) 5.058 12.866 ( -3.650 -2.083 0.211) 4.207 13.105 ( 0.602 -10.416 -0.139) 10.434 13.117 ( 0.084 -11.518 0.123) 11.518 13.703 ( 9.906 13.649 0.665) 16.878 13.739 ( 9.141 12.287 -0.428) 15.320 14.417 ( 1.958 -0.445 -0.772) 2.151 14.470 ( 0.574 -1.351 -0.648) 1.605 14.550 ( 3.106 -1.653 3.073) 4.671 14.647 ( 6.423 -0.556 -2.345) 6.861 14.760 ( 11.907 -2.336 0.500) 12.145 14.801 ( 12.129 -1.603 -1.333) 12.307 15.965 ( 14.884 4.039 0.617) 15.434 15.975 ( 15.686 4.754 -1.778) 16.486 16.158 ( -6.273 0.288 -0.392) 6.292 16.161 ( -8.137 0.806 0.003) 8.177 16.662 ( -18.215 -2.929 0.162) 18.449 16.678 ( -18.770 -4.070 -1.320) 19.251 16.979 ( -13.154 4.519 0.377) 13.914 17.061 ( -12.501 4.281 -0.115) 13.214 17.442 ( 14.271 8.507 -1.146) 16.654 17.482 ( 14.600 8.591 1.257) 16.987 18.254 ( -6.702 -0.808 -0.213) 6.753 18.278 ( -6.811 -2.117 -0.368) 7.142 18.688 ( -4.118 -5.032 0.538) 6.524 18.746 ( -4.394 -3.847 -0.017) 5.840 19.211 ( -2.424 -5.256 -0.042) 5.788 19.244 ( -1.608 -3.593 0.107) 3.938 19.543 ( -0.836 0.789 0.112) 1.155 19.565 ( -1.629 0.164 -0.141) 1.644 19.864 ( 4.352 -0.451 -0.095) 4.377 19.869 ( 3.093 -3.223 0.435) 4.488 20.127 ( -1.412 -0.377 0.074) 1.463 20.155 ( -3.667 -1.622 -0.096) 4.010 20.195 ( 2.039 -2.885 0.869) 3.638 20.213 ( 1.560 -2.717 -0.290) 3.146 20.426 ( 0.147 1.092 -0.072) 1.105 20.479 ( 4.163 1.772 -1.668) 4.822 21.032 ( -0.957 1.971 -0.635) 2.281 21.054 ( -0.267 1.300 0.483) 1.413 21.148 ( 16.921 6.322 -0.833) 18.083 21.203 ( 15.540 5.158 0.991) 16.403 21.646 ( -2.343 -2.002 -0.321) 3.098 21.696 ( -2.179 -1.486 0.175) 2.643 21.753 ( 1.670 1.591 0.355) 2.333 21.793 ( 2.356 2.606 -1.849) 3.970 21.982 ( 3.578 -0.270 0.481) 3.621 22.024 ( 4.554 -0.262 -1.155) 4.706 22.148 ( 10.202 0.481 0.403) 10.222 22.213 ( 12.119 1.092 0.001) 12.168 22.874 ( 18.498 -20.278 -0.982) 27.465 22.927 ( 20.928 -19.414 1.622) 28.593 24.487 ( -5.300 20.688 1.512) 21.410 24.572 ( -5.820 20.196 -1.021) 21.042 25.565 ( -21.588 -0.712 1.921) 21.685 25.660 ( -21.233 -3.106 -0.182) 21.460 26.233 ( -1.367 -0.495 0.800) 1.659 26.261 ( 0.721 -1.686 -1.509) 2.375 26.453 ( -2.939 -2.207 2.136) 4.251 26.542 ( -1.940 -0.525 -1.096) 2.289 26.766 ( -3.592 3.241 -0.278) 4.845 26.853 ( -0.296 2.364 -0.495) 2.434 27.070 ( 0.528 -0.037 0.675) 0.858 27.073 ( -1.743 0.156 -0.337) 1.782 27.397 ( -2.757 11.035 -2.470) 11.639 27.495 ( -3.243 0.826 2.830) 4.383 28.230 ( -4.966 -3.610 0.616) 6.171 28.263 ( -1.062 1.691 -0.677) 2.108 28.636 ( -5.870 2.485 -0.313) 6.382 28.666 ( -7.683 2.580 0.622) 8.128 28.735 ( -11.467 2.078 -0.543) 11.666 29.455 ( -7.261 -8.494 -12.085) 16.459 29.722 ( -3.925 0.594 -0.538) 4.006 29.858 ( -19.520 14.675 -30.538) 39.102 30.245 ( 8.833 -0.138 15.057) 17.457 30.697 ( -5.973 -11.064 9.652) 15.851 31.697 ( 12.605 0.555 0.690) 12.636 31.731 ( 11.811 -0.458 0.974) 11.860 31.829 ( 6.991 -0.876 -1.821) 7.277 31.957 ( 0.256 -3.901 -3.711) 5.390 32.690 ( -1.286 -1.581 7.171) 7.455 32.807 ( 2.955 0.212 -1.897) 3.518 32.921 ( -1.873 -4.289 9.133) 10.262 33.144 ( -1.419 -5.199 -2.136) 5.797 33.671 ( 1.566 0.037 0.163) 1.575 33.979 ( 1.316 -2.093 -0.556) 2.534 34.008 ( 5.886 6.537 -1.106) 8.866 34.177 ( 1.484 2.789 0.717) 3.240 36.790 ( -3.944 1.223 1.059) 4.263 36.850 ( -4.776 1.575 -1.262) 5.185 37.183 ( -10.059 -3.539 -1.145) 10.725 37.506 ( -16.274 -11.351 -6.474) 20.871 39.000 ( 4.027 0.539 3.744) 5.525 39.308 ( 3.028 -2.850 1.278) 4.350 39.428 ( -0.723 3.381 -0.281) 3.469 39.629 ( -1.198 2.341 4.727) 5.409 39.924 ( -1.106 5.080 0.096) 5.199 40.126 ( 9.668 5.129 3.901) 11.618 40.268 ( -8.289 -0.874 -1.521) 8.472 40.588 ( 2.802 -0.491 -0.198) 2.851 40.738 ( 0.276 -1.904 5.840) 6.148 40.914 ( -2.279 2.283 -5.217) 6.134 40.968 ( -4.447 -0.980 6.930) 8.292 41.295 ( 0.542 -5.347 -23.620) 24.224 42.087 ( 13.101 -1.165 -5.900) 14.416 42.619 ( -3.248 -5.236 17.876) 18.908 42.663 ( 1.184 -32.190 37.221) 49.224 42.877 ( 1.111 -0.257 -6.858) 6.952 43.187 ( 2.892 -6.684 -4.609) 8.619 43.384 ( -8.116 -3.917 -1.633) 9.158 43.427 ( -6.772 -3.528 1.570) 7.796 43.955 ( -5.088 -12.615 -1.070) 13.645 ======================= Grid point 63 (31/60) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -0.385 15.501 17.188) 23.149 1.189 ( -9.748 16.251 16.360) 25.035 1.438 ( -0.284 7.870 16.341) 18.140 1.681 ( -1.737 10.994 -15.301) 18.921 1.801 ( 2.870 -11.428 0.014) 11.783 1.907 ( -3.263 0.967 -14.007) 14.415 2.039 ( 3.913 -5.139 -6.165) 8.929 2.183 ( 1.419 -7.889 -6.590) 10.377 2.375 ( -1.750 16.504 8.175) 18.501 2.493 ( 2.098 1.519 -3.305) 4.199 2.729 ( -3.299 -2.764 5.060) 6.643 3.001 ( 4.196 2.246 -1.080) 4.880 3.052 ( -2.564 -0.770 6.852) 7.357 3.128 ( -0.482 -0.654 0.691) 1.067 3.186 ( 0.929 0.578 -3.912) 4.062 3.229 ( -0.673 -1.354 -6.481) 6.656 3.277 ( 3.091 -1.540 -7.778) 8.510 3.376 ( 2.517 -0.234 -3.471) 4.294 3.505 ( 4.883 -9.079 0.916) 10.349 3.571 ( -1.543 -2.263 -0.462) 2.777 3.650 ( -0.330 -3.796 -2.462) 4.536 3.665 ( -4.145 0.714 0.930) 4.307 3.732 ( -0.206 2.584 5.447) 6.032 3.805 ( 1.758 0.518 -1.927) 2.659 3.944 ( -1.350 -1.016 7.450) 7.639 4.059 ( 1.446 -2.812 0.590) 3.217 4.150 ( 0.650 -0.727 2.102) 2.317 4.179 ( 0.952 -0.730 4.136) 4.307 4.253 ( -0.038 0.437 -3.439) 3.467 4.374 ( -1.705 -5.612 -1.584) 6.076 4.392 ( -0.508 -0.044 -2.092) 2.153 4.428 ( 1.673 -2.316 0.187) 2.863 4.472 ( 1.926 -1.437 3.642) 4.363 4.552 ( -3.990 -0.158 4.565) 6.065 4.648 ( -2.534 1.686 -4.765) 5.654 4.694 ( 1.461 4.221 -1.127) 4.607 4.715 ( 1.518 -1.269 1.226) 2.327 4.842 ( -4.219 1.929 0.844) 4.715 4.880 ( -0.285 -3.143 0.025) 3.156 4.925 ( 1.296 -2.643 -5.435) 6.181 5.431 ( -4.066 3.761 -0.148) 5.541 5.549 ( 1.606 6.598 2.653) 7.291 5.600 ( -0.169 -2.898 -0.835) 3.021 5.732 ( 1.194 5.101 -0.213) 5.243 5.751 ( 1.625 4.285 0.422) 4.602 5.800 ( -1.798 0.968 4.452) 4.898 5.815 ( 1.867 2.085 -1.093) 3.004 5.873 ( 3.981 1.871 0.929) 4.496 6.418 ( -4.098 2.000 -3.384) 5.679 6.458 ( 1.100 1.107 -3.358) 3.703 6.541 ( 0.149 -0.512 1.972) 2.043 6.571 ( 2.733 -1.652 0.374) 3.215 6.723 ( -1.779 2.986 1.037) 3.627 6.786 ( -4.156 2.980 -3.562) 6.232 6.959 ( 5.294 -0.171 1.729) 5.572 7.052 ( -0.472 -2.421 2.600) 3.584 7.433 ( -4.214 4.235 5.125) 7.872 7.561 ( -1.436 4.293 -0.483) 4.552 7.666 ( 1.921 -2.597 -1.852) 3.723 7.796 ( -0.531 -4.593 -5.966) 7.548 8.337 ( 0.360 1.109 1.230) 1.695 8.442 ( 3.346 0.165 -4.247) 5.409 8.601 ( -1.262 -5.336 3.573) 6.545 8.665 ( -0.254 -5.479 0.125) 5.486 9.500 ( 1.367 0.272 0.312) 1.428 9.522 ( -1.646 -0.421 -0.451) 1.758 9.540 ( -0.941 0.339 -0.011) 1.001 9.549 ( 1.621 0.521 -0.213) 1.716 10.169 ( 0.410 1.149 0.720) 1.416 10.207 ( -0.347 1.316 -1.054) 1.721 10.256 ( -0.599 -2.625 0.363) 2.717 10.266 ( 0.476 -1.382 0.007) 1.461 11.327 ( 0.443 11.876 1.947) 12.043 11.401 ( -0.638 13.445 -1.082) 13.503 11.653 ( -0.258 -1.757 1.459) 2.298 11.762 ( 0.553 -2.048 -3.331) 3.949 12.073 ( 0.329 -0.249 2.403) 2.438 12.151 ( -0.774 1.750 -1.625) 2.510 12.410 ( 0.055 -9.668 2.389) 9.959 12.518 ( 0.293 -10.063 -2.555) 10.386 12.740 ( 0.575 -1.018 1.260) 1.718 12.782 ( -0.742 -0.632 -0.727) 1.215 12.866 ( 0.191 -9.737 0.555) 9.755 12.893 ( 0.014 -7.818 -0.718) 7.851 14.110 ( -0.108 12.578 0.840) 12.607 14.135 ( 0.146 14.310 -0.274) 14.314 14.404 ( -0.550 -3.342 0.317) 3.402 14.449 ( 0.929 -1.452 -1.472) 2.267 14.587 ( 0.024 2.237 3.134) 3.851 14.724 ( -0.222 1.600 -3.554) 3.903 14.814 ( -0.160 -5.987 1.344) 6.138 14.898 ( -0.002 -4.570 -2.525) 5.221 16.024 ( -0.545 1.928 0.506) 2.067 16.052 ( 0.451 2.292 -0.773) 2.461 16.148 ( 0.098 -3.547 1.113) 3.719 16.206 ( -0.377 -4.271 -1.512) 4.547 16.556 ( 1.116 11.087 0.351) 11.149 16.588 ( -1.252 11.442 -0.867) 11.543 16.928 ( 1.829 -1.059 1.200) 2.430 16.958 ( -1.749 -1.484 -0.247) 2.307 17.846 ( 0.606 10.208 0.059) 10.226 17.861 ( -0.091 10.321 -0.611) 10.340 18.125 ( -0.412 -3.207 0.265) 3.244 18.137 ( 0.268 -3.153 -0.323) 3.180 18.591 ( 0.662 0.881 0.609) 1.259 18.616 ( -0.618 -0.734 -0.531) 1.096 18.969 ( 0.385 -12.924 1.156) 12.981 19.016 ( -0.432 -12.713 -1.005) 12.760 19.545 ( -0.343 0.251 0.356) 0.555 19.557 ( 0.286 0.174 -0.197) 0.388 19.870 ( -0.199 0.835 0.895) 1.240 19.910 ( 0.381 1.079 -0.902) 1.457 20.041 ( -1.164 -2.777 1.272) 3.269 20.090 ( 1.601 -4.432 -1.058) 4.829 20.135 ( -0.505 -1.410 0.440) 1.562 20.148 ( -0.125 -2.552 -0.028) 2.555 20.465 ( -0.006 1.491 0.673) 1.636 20.531 ( -0.177 -1.439 -2.622) 2.996 21.070 ( 0.525 1.822 0.081) 1.898 21.086 ( -0.543 1.361 -0.695) 1.622 21.478 ( -3.100 3.797 0.311) 4.911 21.519 ( 5.448 2.639 -1.991) 6.373 21.574 ( -5.188 1.064 0.800) 5.356 21.590 ( 2.079 0.147 -0.247) 2.099 21.824 ( 0.366 3.930 0.804) 4.028 21.873 ( 0.081 3.985 -1.641) 4.311 21.987 ( 0.183 -2.403 1.081) 2.641 22.036 ( -0.081 -1.677 -1.156) 2.039 22.369 ( 1.595 3.505 1.443) 4.113 22.429 ( -2.184 3.253 -1.638) 4.247 22.772 ( 3.783 -16.841 3.902) 17.696 22.808 ( -1.801 -15.575 0.897) 15.704 24.835 ( -0.271 16.271 1.348) 16.329 24.906 ( 0.097 15.327 -1.321) 15.384 25.248 ( -0.398 -1.836 0.348) 1.910 25.266 ( -0.756 -4.608 -0.745) 4.729 26.216 ( -1.033 0.442 0.275) 1.157 26.274 ( 0.126 -0.145 -2.646) 2.653 26.317 ( 1.263 -4.205 2.777) 5.196 26.409 ( 0.700 -5.270 -1.248) 5.461 26.857 ( -0.058 3.752 1.075) 3.903 26.924 ( 2.181 0.468 -2.050) 3.030 27.017 ( -2.761 1.343 1.526) 3.429 27.064 ( 0.746 -0.514 -0.686) 1.137 27.550 ( -1.766 12.956 3.060) 13.429 27.680 ( 1.427 15.742 -2.920) 16.074 28.077 ( 0.251 -7.981 2.914) 8.500 28.217 ( -1.627 -6.121 -3.286) 7.135 28.600 ( 0.796 2.119 1.260) 2.591 28.647 ( -0.540 3.341 0.262) 3.395 28.693 ( 2.957 2.301 2.993) 4.795 29.021 ( -5.486 -9.235 -11.981) 16.091 29.716 ( -0.356 4.188 0.435) 4.226 29.871 ( -3.100 8.463 -11.609) 14.697 30.269 ( -0.052 -9.723 0.828) 9.759 30.445 ( 6.516 -11.386 -3.193) 13.502 31.852 ( 0.542 -0.387 0.538) 0.856 31.854 ( -0.813 -0.507 0.556) 1.108 31.895 ( 0.836 -0.229 -0.172) 0.884 31.906 ( -1.398 -0.659 -0.571) 1.648 32.655 ( -0.767 0.985 8.158) 8.253 32.764 ( -1.021 -3.990 12.082) 12.765 32.881 ( 1.470 1.318 -3.058) 3.640 33.034 ( 0.690 -5.286 -2.926) 6.081 33.780 ( 2.216 3.798 3.459) 5.595 33.922 ( -2.023 -1.199 -2.486) 3.422 34.242 ( -1.674 2.372 -0.221) 2.911 34.253 ( 2.105 2.353 -0.255) 3.168 36.761 ( -0.116 0.816 0.613) 1.028 36.784 ( -0.128 -0.198 -0.402) 0.466 37.066 ( -0.400 1.145 1.246) 1.738 37.126 ( -1.190 -1.155 -1.838) 2.476 39.194 ( 9.005 -2.106 10.534) 14.017 39.275 ( -0.149 -3.340 2.061) 3.927 39.510 ( 2.413 1.340 -1.183) 3.003 39.575 ( -5.526 -0.911 -0.250) 5.607 40.032 ( -0.075 6.214 0.154) 6.216 40.141 ( -0.012 2.259 -5.858) 6.278 40.412 ( 0.483 1.008 1.255) 1.681 40.500 ( 1.415 -2.988 -2.454) 4.117 40.725 ( -1.478 0.001 6.234) 6.407 40.775 ( -5.523 -2.578 10.700) 12.315 40.973 ( 1.746 4.394 -7.063) 8.499 41.192 ( 2.924 -4.994 -9.555) 11.170 41.999 ( -8.328 5.553 15.975) 18.852 42.369 ( -7.147 -8.511 17.684) 20.886 42.621 ( 13.721 -0.140 -7.847) 15.807 42.885 ( 2.188 -9.101 -3.444) 9.974 43.059 ( -5.600 -1.880 0.657) 5.944 43.159 ( 3.398 -5.379 -1.789) 6.609 43.344 ( 1.775 -2.519 3.012) 4.309 43.508 ( -2.925 -12.904 -4.543) 13.989 ======================= Grid point 64 (32/60) ======================= q-point: ( 0.14 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 17.570 13.192 14.038) 26.073 1.301 ( 15.053 11.895 11.344) 22.288 1.697 ( 6.989 14.110 -13.117) 20.494 1.839 ( 18.924 -3.121 -6.139) 20.138 1.897 ( 8.862 -1.455 -3.465) 9.626 2.025 ( 10.928 -6.244 2.681) 12.869 2.350 ( 7.343 3.925 1.142) 8.404 2.384 ( 12.290 4.533 -2.216) 13.285 2.410 ( 21.487 -4.995 -6.741) 23.067 2.622 ( 9.060 3.359 2.871) 10.080 2.691 ( 0.905 -0.239 7.209) 7.269 2.989 ( -2.359 2.415 4.742) 5.820 3.050 ( -1.180 3.103 -1.792) 3.772 3.144 ( 3.346 -3.083 2.322) 5.108 3.177 ( -3.884 -3.319 -3.304) 6.085 3.230 ( 0.895 -1.657 -0.579) 1.970 3.294 ( 0.495 -6.793 0.999) 6.884 3.536 ( -0.731 -0.114 -0.069) 0.743 3.580 ( 4.865 0.434 1.375) 5.074 3.593 ( 7.858 -0.539 -5.868) 9.822 3.706 ( 4.755 3.601 -0.227) 5.969 3.738 ( 9.905 -3.246 0.091) 10.424 3.783 ( 5.153 -5.023 3.214) 7.881 3.831 ( 2.901 -1.643 -1.559) 3.680 3.949 ( 1.161 -1.362 2.119) 2.774 4.046 ( -2.452 -2.141 1.517) 3.591 4.155 ( -1.059 -0.884 1.901) 2.348 4.194 ( -0.033 -0.920 0.555) 1.075 4.257 ( 1.498 -0.247 0.707) 1.674 4.312 ( -1.389 -2.034 -2.871) 3.782 4.391 ( 0.846 0.124 -3.795) 3.890 4.462 ( 0.304 0.552 0.604) 0.873 4.496 ( -0.304 -0.233 -1.826) 1.866 4.526 ( 0.845 2.225 1.177) 2.655 4.619 ( 1.722 -5.098 -2.582) 5.968 4.669 ( -3.779 -4.024 0.369) 5.533 4.778 ( 5.506 3.161 2.836) 6.954 4.793 ( 0.497 3.820 3.817) 5.424 4.952 ( 8.480 -0.170 -2.371) 8.806 5.033 ( 4.551 -3.003 -4.897) 7.329 5.452 ( 3.764 5.077 2.246) 6.707 5.607 ( 5.107 5.650 1.460) 7.755 5.647 ( 1.365 -2.271 -1.549) 3.070 5.696 ( -6.454 3.563 -2.720) 7.858 5.718 ( -1.792 -2.411 1.489) 3.352 5.853 ( 5.844 7.158 -2.973) 9.707 5.917 ( 5.022 1.400 -0.694) 5.259 6.013 ( 7.091 3.693 4.789) 9.320 6.396 ( 5.409 2.741 -2.385) 6.516 6.527 ( 5.629 2.445 -2.243) 6.534 6.558 ( 6.737 0.159 0.354) 6.748 6.663 ( -1.232 1.344 6.568) 6.816 6.734 ( 3.972 3.914 0.627) 5.612 6.776 ( 7.187 6.211 -3.034) 9.971 7.023 ( -0.102 -5.518 1.295) 5.669 7.068 ( 2.922 -4.439 2.814) 6.014 7.369 ( -2.503 4.461 0.632) 5.154 7.508 ( -0.836 3.007 -1.408) 3.424 7.663 ( -0.782 -4.603 0.358) 4.683 7.727 ( -3.858 -4.815 -5.938) 8.563 8.354 ( 1.510 2.185 0.395) 2.685 8.482 ( 1.201 1.291 -4.441) 4.779 8.583 ( -0.873 -5.602 5.848) 8.146 8.658 ( -0.803 -4.679 0.664) 4.794 9.482 ( -1.408 0.777 -0.063) 1.609 9.520 ( -0.536 0.722 -0.603) 1.083 9.534 ( 1.229 -0.956 1.157) 1.940 9.594 ( 1.385 -1.300 -0.811) 2.065 10.201 ( 2.416 1.266 -0.592) 2.791 10.229 ( 2.772 1.779 0.532) 3.337 10.279 ( 3.082 -2.048 -1.371) 3.947 10.317 ( 3.156 -1.792 1.570) 3.955 11.324 ( -0.950 11.665 2.061) 11.883 11.372 ( -1.887 12.364 -1.113) 12.556 11.609 ( -3.992 0.150 0.928) 4.101 11.716 ( -4.448 -1.444 -3.426) 5.797 12.001 ( -7.442 0.258 2.879) 7.984 12.061 ( -7.226 1.137 -1.693) 7.509 12.366 ( -4.193 -9.554 1.951) 10.614 12.467 ( -4.223 -11.095 -1.826) 12.011 12.787 ( 2.165 -2.079 1.240) 3.248 12.798 ( 2.423 -1.192 -1.006) 2.882 12.878 ( 0.851 -8.550 0.492) 8.606 12.893 ( 0.200 -7.632 -0.734) 7.670 14.015 ( -9.063 14.220 0.683) 16.877 14.037 ( -8.969 14.914 -0.256) 17.405 14.383 ( -1.906 -4.261 -0.135) 4.670 14.432 ( -2.954 -3.221 0.177) 4.374 14.546 ( -3.408 1.820 1.872) 4.293 14.627 ( -7.805 -1.100 -1.811) 8.087 14.684 ( -10.297 -3.478 -0.487) 10.879 14.744 ( -10.720 -3.599 -1.668) 11.431 16.042 ( -9.502 5.399 -0.411) 10.937 16.091 ( -6.966 3.541 -0.678) 7.844 16.154 ( 3.455 0.756 -0.133) 3.539 16.182 ( 3.786 -0.559 0.292) 3.838 16.652 ( 12.802 4.020 -0.631) 13.433 16.693 ( 13.904 3.700 0.092) 14.389 16.964 ( 4.247 -5.887 -0.463) 7.274 17.028 ( 6.145 -6.076 0.605) 8.662 17.722 ( -6.558 16.300 -0.778) 17.587 17.776 ( -5.019 16.567 0.835) 17.331 18.190 ( 5.375 -5.164 -0.191) 7.456 18.232 ( 6.629 -3.437 -0.087) 7.467 18.635 ( 2.440 0.012 0.390) 2.471 18.660 ( 4.075 -0.837 -0.142) 4.162 19.026 ( 3.980 -13.117 0.278) 13.710 19.048 ( 1.921 -13.304 -0.307) 13.445 19.555 ( 1.247 0.316 0.069) 1.288 19.568 ( 0.679 0.121 -0.009) 0.690 19.851 ( -1.304 2.490 0.459) 2.848 19.895 ( -0.398 3.549 -0.261) 3.581 20.072 ( 0.551 -5.498 -0.179) 5.528 20.108 ( 0.261 -4.043 0.334) 4.065 20.150 ( 0.930 -0.193 0.394) 1.029 20.163 ( 3.206 -0.875 -0.366) 3.343 20.452 ( -1.136 1.365 0.237) 1.791 20.498 ( -2.250 -0.204 -1.499) 2.711 21.066 ( -0.742 1.498 -0.359) 1.710 21.079 ( -0.414 0.816 -0.255) 0.950 21.283 ( -14.529 8.793 -0.415) 16.987 21.369 ( -12.351 8.024 1.079) 14.768 21.578 ( -0.449 -4.132 -0.732) 4.220 21.639 ( -0.471 -3.678 0.442) 3.734 21.818 ( -2.782 3.517 0.464) 4.509 21.849 ( -3.167 3.681 -1.017) 4.961 21.965 ( -3.815 -1.717 0.547) 4.220 22.003 ( -3.331 -1.242 -1.261) 3.772 22.194 ( -13.476 1.348 -0.172) 13.544 22.209 ( -12.200 1.847 1.035) 12.382 22.483 ( -22.554 -15.975 -0.708) 27.648 22.559 ( -20.140 -17.634 2.227) 26.862 24.926 ( 8.439 19.357 1.189) 21.150 24.986 ( 7.516 18.593 -0.994) 20.080 25.492 ( 17.070 -6.671 1.182) 18.365 25.527 ( 18.638 -7.611 -0.606) 20.141 26.225 ( 3.070 3.125 -0.149) 4.383 26.274 ( 2.385 2.133 -0.713) 3.278 26.419 ( 6.612 -4.039 2.415) 8.115 26.473 ( 3.999 -5.972 -1.994) 7.459 26.861 ( 0.163 3.730 0.830) 3.824 26.947 ( -1.194 4.652 -2.634) 5.478 26.995 ( 0.633 -1.081 1.657) 2.078 27.098 ( 1.946 -1.640 0.562) 2.606 27.579 ( 3.761 12.325 0.916) 12.918 27.726 ( 2.408 14.200 -0.896) 14.430 28.064 ( 0.034 -7.795 0.201) 7.798 28.235 ( 3.257 -6.561 0.029) 7.325 28.676 ( 6.245 3.333 0.025) 7.079 28.781 ( 10.346 4.540 0.880) 11.332 28.846 ( 9.984 -2.286 4.626) 11.239 29.042 ( 7.439 -4.187 -8.979) 12.389 29.774 ( 6.388 6.084 1.204) 8.904 29.909 ( 7.362 8.941 -7.212) 13.644 30.285 ( 3.351 -6.617 -2.597) 7.858 30.619 ( 8.126 -16.656 -3.422) 18.846 31.721 ( -10.681 -0.498 0.821) 10.724 31.751 ( -10.004 -1.414 0.251) 10.106 31.766 ( -10.263 -0.446 -1.111) 10.333 31.852 ( -6.258 -2.359 1.123) 6.782 32.674 ( 1.686 2.286 5.409) 6.110 32.810 ( 3.500 -3.036 6.767) 8.202 32.897 ( 0.180 0.004 -1.222) 1.235 33.044 ( 0.706 -5.475 -2.369) 6.007 33.766 ( -4.234 2.392 1.027) 4.970 33.864 ( -1.429 -0.796 -0.283) 1.660 34.128 ( -7.428 3.858 -1.463) 8.497 34.229 ( -4.066 0.094 1.137) 4.223 36.820 ( 5.066 1.791 0.695) 5.418 36.878 ( 7.858 0.308 -0.782) 7.903 37.110 ( 5.953 -0.034 0.080) 5.953 37.259 ( 9.697 -4.243 -0.196) 10.586 39.181 ( -7.676 -1.577 -1.467) 7.972 39.276 ( -3.254 -6.134 2.837) 7.501 39.488 ( -0.169 2.731 -0.784) 2.847 39.630 ( 4.761 -5.413 4.388) 8.439 40.036 ( 1.167 6.320 -1.034) 6.510 40.221 ( 6.259 -0.999 -2.927) 6.982 40.316 ( -3.768 6.545 0.009) 7.552 40.600 ( 0.790 -3.220 1.669) 3.712 40.693 ( -0.390 0.841 3.145) 3.279 40.739 ( 1.635 -1.645 5.809) 6.254 41.013 ( 2.306 4.485 -7.150) 8.749 41.255 ( 3.793 -4.259 -6.964) 9.001 41.858 ( -4.250 8.912 5.123) 11.123 42.247 ( -5.781 -9.089 18.184) 21.135 42.674 ( -14.518 -2.070 3.861) 15.165 42.870 ( 5.396 -12.856 -8.244) 16.197 43.098 ( 4.775 -3.515 -0.884) 5.995 43.282 ( 8.301 -5.703 -0.709) 10.096 43.401 ( 6.008 -1.652 2.147) 6.591 43.616 ( 9.176 -9.647 -2.729) 13.591 ======================= Grid point 65 (33/60) ======================= q-point: ( 0.29 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 15.078 10.966 10.383) 21.340 1.749 ( 17.782 -2.067 0.685) 17.915 1.889 ( 8.575 7.349 -4.271) 12.074 2.029 ( 5.882 3.494 -3.512) 7.690 2.102 ( 14.570 9.735 -6.047) 18.537 2.302 ( 9.886 -6.586 -5.457) 13.072 2.478 ( 4.628 1.895 -1.989) 5.382 2.585 ( 1.727 -1.304 -0.518) 2.225 2.662 ( -3.013 -5.432 6.213) 8.786 2.781 ( 12.059 -0.265 2.055) 12.236 2.895 ( 7.731 2.687 -0.030) 8.184 2.970 ( -1.439 -3.055 -0.596) 3.429 3.032 ( 2.037 -1.489 2.169) 3.327 3.124 ( 0.920 -2.970 -3.716) 4.845 3.248 ( 5.011 -1.580 4.503) 6.920 3.316 ( 6.561 1.140 3.320) 7.441 3.391 ( 9.836 -8.096 4.757) 13.599 3.453 ( -3.154 -1.797 -0.199) 3.635 3.655 ( 1.669 3.300 2.516) 4.472 3.699 ( 4.864 3.697 -3.796) 7.193 3.794 ( 3.424 0.730 4.309) 5.552 3.822 ( -2.837 -4.142 3.785) 6.287 3.856 ( -0.085 -3.568 5.707) 6.731 3.923 ( 0.661 -2.341 -4.381) 5.011 4.035 ( 1.740 -0.869 -1.403) 2.398 4.071 ( 8.759 -1.506 -0.259) 8.891 4.155 ( 3.025 2.739 0.483) 4.109 4.235 ( 0.583 -0.940 -4.575) 4.707 4.263 ( 1.088 -1.580 -1.333) 2.336 4.320 ( 0.386 -3.074 3.919) 4.996 4.394 ( -3.958 4.471 -2.241) 6.378 4.445 ( 2.896 2.434 -3.534) 5.177 4.523 ( 2.916 -0.170 -5.559) 6.280 4.545 ( 1.288 1.174 -0.640) 1.856 4.668 ( 0.867 -2.927 -1.246) 3.297 4.674 ( 2.437 -3.343 0.936) 4.241 4.847 ( 5.730 4.025 1.793) 7.228 4.913 ( 4.140 2.261 5.459) 7.215 5.110 ( 3.941 -1.117 -3.300) 5.260 5.114 ( 4.298 -0.857 -0.429) 4.404 5.382 ( -8.805 4.168 -3.531) 10.362 5.520 ( -6.349 2.644 -2.939) 7.480 5.567 ( -9.167 -1.931 1.891) 9.557 5.662 ( -3.606 -2.762 0.071) 4.543 5.858 ( 9.163 2.839 2.766) 9.983 5.917 ( 4.537 6.598 -3.086) 8.581 6.040 ( 10.071 1.238 1.407) 10.244 6.214 ( 10.672 1.623 -2.327) 11.042 6.487 ( -0.551 5.011 -0.147) 5.043 6.646 ( -0.290 1.785 -3.357) 3.813 6.660 ( 6.480 5.279 5.848) 10.201 6.766 ( 2.208 -2.442 5.120) 6.087 6.895 ( 7.114 10.993 1.819) 13.219 7.061 ( 9.075 0.485 -2.100) 9.327 7.082 ( 10.493 -0.726 1.037) 10.569 7.158 ( 11.103 -0.859 -2.976) 11.527 7.389 ( 10.055 3.395 0.741) 10.638 7.611 ( 1.349 0.133 -6.974) 7.104 7.705 ( 17.362 -9.334 -0.487) 19.718 7.762 ( 10.861 -5.429 0.882) 12.174 8.416 ( 4.158 1.185 0.306) 4.334 8.511 ( 1.080 -1.042 -1.978) 2.482 8.580 ( 1.655 -2.647 4.009) 5.081 8.637 ( -0.815 -4.052 3.220) 5.239 9.460 ( -0.921 0.263 0.450) 1.058 9.515 ( -0.041 -0.857 -0.439) 0.964 9.540 ( -1.086 -0.987 1.531) 2.120 9.583 ( -2.519 -1.662 -1.807) 3.518 10.264 ( 3.086 2.075 -1.733) 4.102 10.305 ( 3.485 1.823 1.535) 4.221 10.361 ( 3.989 -0.957 -2.080) 4.600 10.389 ( 3.282 -2.044 2.330) 4.514 11.296 ( -1.407 10.587 0.544) 10.694 11.317 ( -3.391 10.053 0.663) 10.631 11.496 ( -5.938 3.545 -0.036) 6.916 11.568 ( -8.739 0.788 -3.512) 9.451 11.778 ( -13.162 2.087 2.731) 13.603 11.836 ( -13.643 1.571 -0.691) 13.750 12.267 ( -4.264 -12.229 0.797) 12.976 12.351 ( -6.137 -13.886 -0.675) 15.197 12.815 ( 0.504 -2.740 -0.507) 2.832 12.838 ( 0.307 -4.046 0.785) 4.132 12.903 ( 0.569 -6.080 -0.151) 6.108 12.909 ( 1.980 -5.681 -0.395) 6.029 13.745 ( -14.189 15.803 0.191) 21.239 13.787 ( -13.179 15.256 -0.369) 20.163 14.259 ( -11.562 -7.413 0.288) 13.737 14.281 ( -11.486 -7.368 0.136) 13.647 14.452 ( -4.950 -0.441 0.763) 5.027 14.465 ( -5.720 -1.126 2.224) 6.240 14.498 ( -2.907 1.634 -2.107) 3.944 14.576 ( -4.655 -1.769 -2.370) 5.515 15.832 ( -6.941 7.892 -0.513) 10.522 15.872 ( -8.590 6.931 0.092) 11.037 16.100 ( -8.713 -2.515 -0.463) 9.081 16.128 ( -8.727 -4.137 0.350) 9.664 16.990 ( 10.913 3.477 0.020) 11.454 17.075 ( 16.230 3.644 -1.493) 16.701 17.190 ( 17.093 -5.067 1.154) 17.865 17.237 ( 14.817 -3.140 -0.723) 15.163 17.730 ( 8.615 14.584 -0.152) 16.939 17.785 ( 6.782 14.407 0.263) 15.926 18.301 ( 4.259 -9.292 0.001) 10.222 18.345 ( 3.264 -8.829 0.269) 9.417 18.731 ( 7.684 1.865 -0.508) 7.923 18.779 ( 7.496 0.756 0.369) 7.543 19.074 ( 1.445 -10.208 -0.513) 10.323 19.093 ( 2.253 -10.752 0.506) 10.997 19.571 ( 0.321 0.686 -0.137) 0.770 19.599 ( 1.675 0.214 -0.127) 1.694 19.820 ( -1.389 4.811 0.551) 5.038 19.893 ( -1.094 5.380 -0.763) 5.543 20.016 ( -4.249 -2.749 0.829) 5.128 20.099 ( -3.237 -2.960 -0.663) 4.436 20.186 ( 1.052 1.426 0.472) 1.834 20.219 ( 1.448 -0.492 -0.122) 1.534 20.392 ( -6.296 1.111 -0.826) 6.447 20.461 ( -0.242 0.101 -0.070) 0.271 20.849 ( -23.965 11.812 -0.437) 26.721 20.889 ( -18.334 5.909 0.536) 19.270 21.079 ( 0.582 0.070 0.241) 0.634 21.172 ( -2.129 2.992 0.359) 3.689 21.445 ( -15.215 -9.973 -0.329) 18.195 21.474 ( -16.678 -11.869 0.459) 20.476 21.711 ( -5.892 0.822 -1.167) 6.062 21.737 ( -2.601 -0.075 0.311) 2.620 21.780 ( -8.562 -1.859 -0.288) 8.766 21.823 ( -11.255 -3.694 0.571) 11.859 22.026 ( -1.452 1.124 0.555) 1.918 22.071 ( -1.132 1.145 -0.173) 1.619 22.185 ( -4.634 -9.577 0.278) 10.643 22.241 ( -6.749 -11.134 -0.368) 13.025 25.105 ( 6.457 21.568 1.437) 22.560 25.141 ( 5.737 21.591 -1.177) 22.371 25.803 ( 10.682 -10.573 1.160) 15.075 25.862 ( 11.090 -11.929 -0.253) 16.289 26.340 ( 6.539 5.115 -0.784) 8.339 26.391 ( 7.201 4.231 0.397) 8.361 26.549 ( 3.752 -2.863 -1.240) 4.880 26.588 ( 8.132 -3.215 1.442) 8.863 26.856 ( -0.589 2.478 0.104) 2.549 26.926 ( 0.067 4.645 -0.939) 4.740 26.990 ( -1.020 -0.964 1.122) 1.796 27.126 ( 0.028 -2.560 0.111) 2.563 27.648 ( 1.464 11.220 0.289) 11.319 27.761 ( 0.778 14.774 -0.703) 14.811 28.112 ( 3.527 -8.929 1.591) 9.731 28.308 ( 3.024 -7.667 -0.772) 8.278 28.868 ( 10.899 3.754 0.536) 11.540 28.985 ( 8.896 3.919 -1.354) 9.815 29.080 ( 9.335 -3.946 3.643) 10.770 29.202 ( 6.369 -3.284 -3.123) 7.816 30.015 ( 15.848 8.076 2.493) 17.961 30.165 ( 16.749 8.633 -3.847) 19.231 30.438 ( 11.140 -4.071 -4.124) 12.557 30.763 ( 5.676 -10.127 0.448) 11.618 31.413 ( -17.865 1.249 0.932) 17.933 31.478 ( -15.900 0.766 2.129) 16.060 31.494 ( -12.424 -6.943 -5.362) 15.209 31.633 ( -14.005 -4.593 2.423) 14.937 32.728 ( 2.492 2.981 2.540) 4.642 32.861 ( -0.022 2.867 -1.154) 3.091 32.923 ( 2.987 -5.701 2.993) 7.098 33.059 ( 0.799 -6.097 -2.512) 6.643 33.673 ( -3.147 1.817 -1.205) 3.828 33.853 ( -0.678 -5.054 1.080) 5.212 33.966 ( -6.309 5.122 -0.544) 8.145 34.130 ( -4.608 -1.397 1.392) 5.013 36.953 ( 6.594 3.923 0.855) 7.720 37.049 ( 7.147 3.897 -0.962) 8.197 37.286 ( 9.143 -5.680 -0.364) 10.770 37.450 ( 7.115 -7.380 1.199) 10.321 39.019 ( -5.830 0.220 -2.479) 6.339 39.168 ( -5.549 -6.357 0.235) 8.442 39.509 ( 1.012 3.502 0.560) 3.688 39.662 ( -0.962 -2.298 1.003) 2.685 40.079 ( 2.706 7.284 -1.493) 7.913 40.270 ( 0.154 5.448 -3.116) 6.278 40.351 ( 3.949 1.994 4.973) 6.656 40.574 ( -1.465 -1.785 2.573) 3.457 40.651 ( -3.353 3.641 4.489) 6.682 40.833 ( 4.224 -3.676 -0.667) 5.639 41.041 ( 0.960 3.631 -6.478) 7.488 41.323 ( 3.133 -6.252 -12.016) 13.903 41.843 ( 2.107 5.695 1.522) 6.260 42.178 ( -2.787 -6.354 17.800) 19.104 42.374 ( -12.971 -2.173 4.235) 13.816 42.829 ( -4.173 -18.756 -7.948) 20.794 43.257 ( 7.327 1.724 3.457) 8.283 43.457 ( 6.880 -1.492 -3.315) 7.781 43.569 ( 8.092 -4.302 3.085) 9.670 43.787 ( 6.485 -7.962 -3.042) 10.710 ======================= Grid point 66 (34/60) ======================= q-point: ( 0.43 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 4.775 5.350 6.277) 9.531 1.979 ( 0.131 4.158 -0.114) 4.162 2.025 ( 9.928 0.733 -4.998) 11.139 2.135 ( 7.185 0.975 -1.836) 7.479 2.314 ( 3.069 1.101 -0.189) 3.266 2.428 ( 1.776 -6.918 -5.917) 9.275 2.522 ( -2.630 -2.536 2.254) 4.293 2.571 ( -0.583 1.687 -2.359) 2.958 2.706 ( 5.657 1.310 8.892) 10.620 2.825 ( -8.700 -3.033 4.197) 10.124 2.933 ( 2.641 2.005 2.819) 4.353 3.011 ( 7.336 3.444 -2.316) 8.429 3.072 ( 0.371 -2.654 -2.285) 3.522 3.234 ( 3.776 -3.099 0.179) 4.888 3.341 ( -1.568 -3.288 -2.657) 4.509 3.366 ( 2.117 -1.865 -5.192) 5.909 3.459 ( 1.528 0.605 4.723) 5.001 3.572 ( 5.334 -3.651 -4.001) 7.602 3.653 ( 0.499 2.665 2.516) 3.698 3.759 ( 1.791 3.191 0.175) 3.664 3.830 ( -0.477 -3.432 2.044) 4.023 3.890 ( 6.238 -2.844 4.574) 8.242 3.913 ( 6.533 -2.647 0.924) 7.109 3.962 ( 1.699 -2.899 0.818) 3.458 4.013 ( -1.777 -0.639 -2.379) 3.037 4.111 ( -2.727 -1.368 -0.824) 3.160 4.200 ( -6.152 1.096 3.618) 7.221 4.243 ( -2.220 -1.076 -0.552) 2.528 4.287 ( 4.537 3.056 4.537) 7.107 4.310 ( 1.097 -2.322 -0.120) 2.571 4.324 ( -1.452 6.632 -2.619) 7.277 4.498 ( 1.753 1.259 -1.673) 2.731 4.559 ( 0.800 1.106 -4.234) 4.448 4.584 ( 0.310 -3.473 -0.483) 3.520 4.644 ( -0.290 0.591 -2.804) 2.880 4.705 ( -0.379 -0.894 0.783) 1.247 4.897 ( -3.406 4.126 0.466) 5.370 4.966 ( 2.969 1.561 -0.069) 3.355 5.132 ( -2.023 1.226 -0.368) 2.394 5.186 ( 2.979 0.689 1.489) 3.401 5.244 ( -4.655 0.059 -0.417) 4.674 5.341 ( -1.611 0.194 -1.446) 2.173 5.475 ( -2.146 0.052 3.621) 4.209 5.578 ( -3.163 -2.254 0.013) 3.884 5.970 ( 4.771 5.182 3.135) 7.710 6.084 ( 6.937 4.516 -1.859) 8.483 6.238 ( 4.043 -4.284 2.864) 6.550 6.381 ( 2.763 -3.581 -3.524) 5.734 6.521 ( 5.305 7.886 -0.470) 9.516 6.615 ( 0.531 8.574 -4.359) 9.633 6.726 ( -4.876 5.045 3.865) 8.010 6.752 ( -1.769 6.770 -5.954) 9.187 6.850 ( -0.020 1.119 1.773) 2.097 7.069 ( -1.855 1.113 -3.680) 4.268 7.196 ( -1.188 -6.693 1.532) 6.968 7.350 ( 0.548 -7.731 -3.098) 8.347 7.774 ( 15.459 10.068 0.669) 18.460 7.837 ( 12.359 6.244 2.604) 14.089 8.111 ( 16.262 -5.010 0.956) 17.043 8.150 ( 15.371 -5.436 -0.892) 16.328 8.469 ( -1.812 -1.114 1.518) 2.613 8.538 ( 7.434 -4.882 0.728) 8.924 8.606 ( -1.802 -1.785 1.617) 3.008 8.767 ( 9.436 -8.349 0.600) 12.614 9.415 ( -3.980 1.337 -0.257) 4.206 9.488 ( -1.985 -0.447 1.023) 2.277 9.493 ( -3.976 -0.103 -0.173) 3.981 9.517 ( -0.721 -2.008 -0.598) 2.216 10.307 ( 0.834 1.926 0.181) 2.106 10.356 ( 0.893 1.203 -0.305) 1.529 10.410 ( 0.808 1.205 1.141) 1.845 10.455 ( 2.051 -0.976 -0.923) 2.451 11.243 ( -1.769 6.359 -0.140) 6.602 11.300 ( 2.823 7.494 0.153) 8.010 11.350 ( -7.427 2.856 -1.689) 8.134 11.434 ( -1.037 4.983 0.349) 5.102 11.484 ( -12.899 6.559 -0.126) 14.471 11.548 ( -10.245 3.387 1.237) 10.861 12.213 ( -0.766 -16.552 -0.243) 16.571 12.232 ( -3.926 -16.760 0.307) 17.217 12.804 ( -0.998 -1.778 -0.061) 2.040 12.833 ( -0.185 -2.009 -0.653) 2.120 12.902 ( -0.713 -5.264 1.150) 5.435 12.937 ( 0.537 -5.292 -0.918) 5.398 13.516 ( -5.634 14.762 0.365) 15.805 13.565 ( -5.808 14.442 -0.924) 15.594 14.022 ( -6.968 -7.428 0.108) 10.185 14.048 ( -7.392 -7.294 0.123) 10.386 14.388 ( -1.576 0.188 1.332) 2.072 14.407 ( -1.072 -0.694 1.944) 2.326 14.465 ( -0.446 1.041 -1.696) 2.039 14.514 ( -1.168 -1.124 -2.406) 2.901 15.782 ( 1.506 4.135 -0.081) 4.401 15.793 ( 1.626 2.829 0.187) 3.269 15.896 ( -8.564 -1.007 0.081) 8.623 15.921 ( -8.474 -1.615 -0.358) 8.634 17.098 ( 2.198 13.600 0.733) 13.796 17.213 ( 0.471 14.784 -0.966) 14.823 17.560 ( 11.532 -8.509 -0.246) 14.333 17.570 ( 11.166 -3.960 -0.533) 11.859 17.940 ( 7.419 5.381 -0.779) 9.198 17.966 ( 4.268 3.968 0.984) 5.910 18.381 ( 3.060 -12.496 0.523) 12.876 18.401 ( 2.781 -13.194 -0.373) 13.489 18.927 ( 7.902 2.133 0.713) 8.216 18.966 ( 7.407 2.734 -0.578) 7.916 19.147 ( 5.408 -5.560 -0.263) 7.761 19.177 ( 5.985 -6.447 0.189) 8.799 19.569 ( -0.270 3.456 -0.733) 3.543 19.619 ( -0.181 1.257 0.089) 1.273 19.765 ( -9.341 1.182 0.528) 9.430 19.805 ( -0.900 5.945 0.619) 6.044 19.914 ( -7.862 -1.347 -0.712) 8.008 19.963 ( -3.199 0.185 -0.437) 3.234 20.120 ( -11.663 8.646 2.359) 14.708 20.171 ( -0.287 4.682 -0.972) 4.791 20.259 ( -2.693 -1.261 -0.912) 3.111 20.376 ( -10.397 6.957 -3.486) 12.987 20.502 ( -1.190 2.831 3.769) 4.862 20.620 ( -4.902 2.032 -0.789) 5.365 21.041 ( -5.548 -13.961 1.606) 15.108 21.117 ( -6.239 -11.117 -1.728) 12.864 21.165 ( -2.968 -3.271 0.039) 4.417 21.193 ( -3.134 -3.699 0.374) 4.862 21.653 ( -0.860 0.185 -0.262) 0.918 21.673 ( -2.759 -0.584 0.252) 2.831 21.689 ( -0.867 -2.595 0.517) 2.785 21.724 ( -0.873 -3.005 -0.591) 3.184 22.025 ( 0.384 0.692 0.635) 1.015 22.067 ( -0.056 0.916 -0.621) 1.108 22.142 ( -0.593 -7.380 0.636) 7.431 22.175 ( -1.032 -7.353 -0.524) 7.443 25.187 ( 1.513 23.008 0.908) 23.075 25.218 ( 1.814 22.511 -0.843) 22.600 25.950 ( 3.352 -11.242 1.443) 11.820 26.000 ( 2.681 -13.591 -0.192) 13.854 26.451 ( 3.122 6.205 -0.174) 6.948 26.495 ( 1.770 6.917 -0.671) 7.172 26.633 ( 3.661 -3.940 0.424) 5.396 26.733 ( 3.347 -4.080 -0.717) 5.326 26.859 ( 1.851 0.893 1.013) 2.291 26.947 ( 1.229 0.494 -0.213) 1.342 26.965 ( -0.634 0.553 0.484) 0.971 27.078 ( -4.225 -1.531 -1.317) 4.683 27.651 ( -0.256 13.327 1.632) 13.429 27.760 ( -0.549 16.777 -2.022) 16.907 28.181 ( 2.226 -9.071 3.664) 10.033 28.350 ( 0.880 -7.644 -2.202) 8.004 29.075 ( 6.879 2.073 0.240) 7.188 29.140 ( 4.223 1.732 -0.397) 4.581 29.211 ( 1.949 -1.852 2.896) 3.952 29.287 ( 2.716 -2.040 -3.101) 4.599 30.404 ( 18.068 7.151 0.474) 19.437 30.542 ( 14.500 9.762 -0.077) 17.480 30.711 ( 14.005 -4.148 -3.092) 14.930 30.856 ( 3.117 -1.072 2.174) 3.948 31.006 ( -17.806 2.251 1.089) 17.981 31.118 ( -17.426 0.077 0.971) 17.453 31.271 ( -10.350 -9.037 0.681) 13.756 31.330 ( -7.866 -10.008 -3.058) 13.092 32.772 ( 1.049 2.935 1.668) 3.535 32.855 ( -0.012 3.394 -1.886) 3.883 32.975 ( 0.914 -5.937 2.526) 6.516 33.070 ( 0.568 -6.581 -2.320) 7.001 33.640 ( -0.107 1.173 -0.124) 1.184 33.782 ( -4.276 -2.377 -4.999) 6.994 33.929 ( 1.423 0.596 4.998) 5.231 34.053 ( -2.580 -2.373 0.656) 3.566 37.070 ( 3.423 5.727 1.315) 6.801 37.154 ( 2.456 5.438 -1.456) 6.141 37.450 ( 5.526 -8.194 0.458) 9.894 37.538 ( 0.870 -8.377 0.459) 8.434 38.949 ( -0.560 0.298 -0.001) 0.634 39.066 ( -3.560 -5.074 -1.394) 6.354 39.527 ( 0.703 3.569 1.072) 3.793 39.630 ( -1.527 0.224 -1.534) 2.176 40.138 ( 2.515 7.330 -0.198) 7.752 40.255 ( -1.529 6.128 -3.688) 7.314 40.422 ( 2.018 4.236 5.758) 7.428 40.548 ( -2.736 1.916 2.489) 4.166 40.606 ( 0.588 1.480 6.111) 6.315 40.893 ( 1.833 -3.270 -3.143) 4.892 41.046 ( 0.435 2.184 -4.429) 4.957 41.341 ( 0.035 -7.758 -16.930) 18.622 41.934 ( 5.744 1.564 2.506) 6.459 42.111 ( -6.852 9.777 2.900) 12.286 42.202 ( -2.355 -14.473 17.678) 22.968 42.751 ( -1.878 -18.974 -7.979) 20.669 43.367 ( 2.131 3.463 5.085) 6.511 43.551 ( 2.309 0.643 -3.886) 4.566 43.693 ( 2.053 -5.053 5.142) 7.496 43.886 ( 3.607 -7.293 -5.493) 9.816 ======================= Grid point 67 (35/60) ======================= q-point: (-0.43 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( -9.414 10.087 2.415) 14.007 1.987 ( -3.523 3.189 2.922) 5.578 2.144 ( -5.388 4.963 -3.082) 7.948 2.185 ( 2.807 -2.359 -4.052) 5.465 2.296 ( -2.273 -8.241 -0.715) 8.578 2.499 ( 4.777 -8.454 -1.396) 9.810 2.518 ( -6.255 3.511 0.225) 7.177 2.545 ( 0.586 6.958 -3.871) 7.984 2.678 ( -3.045 -3.904 2.179) 5.410 2.697 ( -1.894 0.954 7.962) 8.239 2.933 ( -4.618 -0.827 5.664) 7.355 3.000 ( -3.285 0.544 -1.978) 3.872 3.095 ( -3.394 2.431 -2.560) 4.897 3.223 ( -4.016 -3.170 1.349) 5.291 3.298 ( 1.298 -5.309 -1.290) 5.616 3.410 ( 1.811 -0.995 -7.112) 7.407 3.424 ( -3.164 -2.895 3.754) 5.699 3.610 ( -1.502 -1.007 -2.380) 2.989 3.741 ( -5.116 1.370 1.236) 5.439 3.767 ( -1.908 0.710 -0.179) 2.044 3.811 ( 4.531 -0.891 1.524) 4.863 3.875 ( -5.585 -0.492 1.460) 5.794 3.953 ( -2.579 -3.300 3.117) 5.221 3.958 ( -3.322 1.693 3.227) 4.931 4.021 ( -6.151 2.035 4.309) 7.781 4.072 ( 1.206 -1.947 -3.740) 4.386 4.105 ( 0.510 -2.172 0.193) 2.239 4.215 ( 2.609 -3.518 0.197) 4.384 4.276 ( 2.605 -0.149 -2.008) 3.293 4.325 ( -0.729 2.994 1.825) 3.581 4.362 ( -2.472 -0.280 0.167) 2.493 4.489 ( -1.023 -3.691 -2.343) 4.490 4.522 ( -0.066 3.579 -2.517) 4.376 4.605 ( 1.123 2.599 -2.259) 3.623 4.656 ( -1.022 0.144 0.335) 1.085 4.738 ( 3.133 -1.384 -0.083) 3.427 4.893 ( 3.368 4.713 1.354) 5.949 5.018 ( 2.059 1.560 -2.422) 3.542 5.115 ( -1.358 -1.695 1.507) 2.643 5.145 ( 1.030 -0.657 -2.331) 2.632 5.251 ( 0.851 3.331 1.187) 3.637 5.395 ( 2.321 -0.954 -1.378) 2.863 5.481 ( 3.438 0.155 4.943) 6.023 5.564 ( 2.986 -1.481 0.131) 3.335 6.026 ( -1.782 4.002 4.643) 6.384 6.116 ( -5.013 5.877 -3.281) 8.393 6.211 ( -4.741 -2.856 3.055) 6.322 6.340 ( -4.927 -2.812 -3.971) 6.925 6.522 ( -7.251 6.990 -0.101) 10.072 6.589 ( -3.058 5.359 -3.277) 6.986 6.671 ( 3.604 7.388 -3.827) 9.068 6.819 ( 3.466 10.566 3.754) 11.737 6.878 ( 4.903 -1.500 -2.131) 5.553 7.052 ( 1.187 2.641 -4.866) 5.662 7.171 ( -2.398 -7.446 3.433) 8.543 7.322 ( -1.695 -7.005 -3.398) 7.969 7.776 ( -15.117 7.107 0.471) 16.711 7.825 ( -11.026 8.214 2.685) 14.009 8.111 ( -15.412 -5.596 0.694) 16.411 8.158 ( -14.241 -5.332 -0.593) 15.218 8.527 ( -2.873 -1.285 0.238) 3.157 8.588 ( 3.178 -2.989 1.178) 4.519 8.617 ( -4.592 -5.476 4.696) 8.552 8.667 ( -10.028 -6.518 -1.803) 12.095 9.431 ( 0.224 0.908 -0.403) 1.018 9.460 ( 3.891 -0.681 0.641) 4.002 9.502 ( 1.984 -0.389 0.091) 2.024 9.520 ( 2.989 -1.285 -0.313) 3.268 10.291 ( -1.932 1.023 0.445) 2.230 10.357 ( -0.839 -0.771 -0.979) 1.503 10.405 ( -1.814 2.346 1.174) 3.190 10.474 ( 0.041 0.591 -0.543) 0.804 11.273 ( 0.342 6.739 0.540) 6.769 11.296 ( 1.546 6.793 0.028) 6.967 11.328 ( 4.649 3.792 -2.573) 6.528 11.425 ( 1.494 2.346 1.254) 3.051 11.493 ( 13.550 6.744 -0.849) 15.160 11.553 ( 9.585 4.911 1.383) 10.859 12.209 ( 2.386 -16.258 -0.179) 16.433 12.233 ( 1.984 -17.052 0.242) 17.169 12.806 ( 1.271 -1.675 -0.081) 2.104 12.845 ( 1.213 -0.698 -1.113) 1.788 12.884 ( -0.890 -6.068 1.394) 6.289 12.939 ( -0.220 -5.822 -0.683) 5.866 13.523 ( 6.092 15.009 0.659) 16.212 13.556 ( 5.233 14.353 -1.216) 15.325 14.029 ( 7.254 -7.361 0.143) 10.336 14.043 ( 7.113 -7.565 0.087) 10.384 14.378 ( 0.487 0.560 1.243) 1.448 14.411 ( 1.202 -0.906 1.708) 2.276 14.473 ( 1.461 0.971 -1.414) 2.253 14.517 ( 1.637 -0.957 -2.365) 3.032 15.777 ( -1.743 3.164 -0.019) 3.612 15.795 ( -1.366 3.889 0.128) 4.124 15.891 ( 7.862 -1.490 0.015) 8.002 15.926 ( 8.949 -1.328 -0.292) 9.052 17.133 ( 0.488 13.799 2.427) 14.019 17.170 ( -3.804 14.277 -2.656) 15.012 17.534 ( -10.271 -5.665 -0.322) 11.734 17.605 ( -12.281 -6.796 -0.468) 14.043 17.923 ( -4.819 4.941 -0.327) 6.910 17.978 ( -6.478 4.722 0.537) 8.035 18.376 ( -2.981 -13.445 0.337) 13.776 18.410 ( -2.586 -12.276 -0.183) 12.546 18.912 ( -9.058 2.437 0.441) 9.391 18.976 ( -6.480 2.643 -0.304) 7.005 19.143 ( -5.049 -6.180 -0.227) 7.983 19.180 ( -6.454 -5.749 0.152) 8.645 19.565 ( 1.008 3.608 -0.622) 3.798 19.625 ( -0.585 0.329 -0.049) 0.673 19.774 ( 7.183 2.183 0.612) 7.532 19.800 ( 6.132 5.850 0.559) 8.493 19.920 ( 1.512 -1.465 -0.621) 2.195 19.953 ( 6.858 -0.466 -0.515) 6.893 20.091 ( 6.900 7.610 1.134) 10.335 20.231 ( 1.208 2.622 2.031) 3.530 20.266 ( 11.467 3.985 -1.846) 12.279 20.319 ( 2.962 5.635 -3.350) 7.193 20.532 ( 4.201 1.418 3.196) 5.466 20.611 ( 4.432 2.841 -1.212) 5.402 21.047 ( 5.948 -11.683 1.759) 13.228 21.122 ( 7.795 -15.298 -2.170) 17.306 21.169 ( 0.046 -0.718 0.036) 0.720 21.180 ( 4.257 -4.283 0.673) 6.076 21.653 ( 0.877 0.019 -0.278) 0.921 21.671 ( 2.675 -0.209 0.286) 2.699 21.695 ( 0.969 -2.652 0.652) 2.898 21.720 ( 0.721 -3.050 -0.746) 3.222 22.032 ( 0.083 0.593 0.909) 1.089 22.058 ( -0.472 0.622 -0.867) 1.167 22.147 ( 0.915 -7.136 0.777) 7.236 22.172 ( 0.704 -7.330 -0.694) 7.396 25.184 ( -1.983 23.325 0.716) 23.420 25.222 ( -1.233 22.344 -0.648) 22.388 25.960 ( -2.632 -11.528 1.656) 11.940 26.000 ( -2.653 -13.385 -0.393) 13.651 26.451 ( -3.302 6.179 -0.113) 7.006 26.485 ( -2.384 6.547 -0.695) 7.002 26.644 ( -3.807 -2.996 0.699) 4.895 26.701 ( -3.929 -4.943 -0.948) 6.385 26.896 ( -0.719 0.824 1.699) 2.021 26.944 ( -3.098 1.915 -2.114) 4.211 26.978 ( 3.372 -0.956 2.786) 4.478 27.043 ( 2.233 -1.384 -2.502) 3.628 27.664 ( 1.172 13.946 2.264) 14.177 27.741 ( -0.963 15.794 -2.559) 16.029 28.210 ( 0.056 -8.125 4.460) 9.268 28.334 ( -2.169 -7.753 -3.086) 8.622 29.100 ( -7.453 1.924 0.470) 7.712 29.122 ( -3.079 -0.126 -0.428) 3.111 29.160 ( -5.895 2.196 0.950) 6.362 29.335 ( 1.048 -4.407 -1.347) 4.727 30.406 ( -19.390 7.166 0.477) 20.677 30.552 ( -7.604 7.842 -0.053) 10.923 30.730 ( -15.797 -0.994 -3.450) 16.200 30.881 ( -9.507 -5.702 2.438) 11.351 30.994 ( 16.723 1.205 1.856) 16.868 31.094 ( 16.316 2.841 0.496) 16.569 31.181 ( 13.923 -5.617 -1.270) 15.067 31.416 ( 10.561 -11.318 -1.354) 15.539 32.771 ( -1.232 2.773 1.707) 3.482 32.852 ( -0.293 3.198 -1.883) 3.723 32.966 ( -1.732 -4.966 2.197) 5.700 33.074 ( -0.192 -6.948 -2.031) 7.241 33.651 ( 0.363 0.832 0.354) 0.974 33.730 ( 0.983 -1.052 -3.727) 3.996 33.980 ( 1.960 -0.877 3.916) 4.466 34.033 ( 1.347 -2.162 0.001) 2.547 37.076 ( -3.167 5.922 1.524) 6.887 37.149 ( -2.537 5.389 -1.664) 6.184 37.467 ( -5.291 -8.523 0.431) 10.041 37.531 ( -0.079 -8.615 0.490) 8.629 38.985 ( 2.798 -1.215 1.367) 3.343 39.023 ( 0.416 -3.100 -2.779) 4.184 39.536 ( -0.366 3.260 1.380) 3.559 39.613 ( 0.474 0.652 -1.802) 1.974 40.144 ( -2.411 6.093 -0.149) 6.554 40.227 ( -0.281 6.884 -2.880) 7.467 40.441 ( -1.609 6.144 5.220) 8.222 40.502 ( -0.045 2.799 2.017) 3.451 40.651 ( 1.543 -0.354 6.772) 6.955 40.933 ( 2.732 -3.030 -4.194) 5.851 41.045 ( -0.581 1.132 -1.597) 2.042 41.289 ( -2.584 -7.912 -18.679) 20.449 41.997 ( -2.779 8.354 -0.502) 8.818 42.079 ( 6.859 -3.396 6.811) 10.246 42.218 ( 1.269 -8.589 16.911) 19.009 42.734 ( 1.218 -18.898 -8.751) 20.861 43.352 ( -4.247 4.337 5.171) 7.974 43.545 ( -2.372 -0.054 -3.821) 4.498 43.668 ( -4.320 -2.994 3.631) 6.388 43.922 ( -0.275 -8.886 -4.061) 9.773 ======================= Grid point 68 (36/60) ======================= q-point: (-0.29 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( -14.341 15.567 5.669) 21.912 1.725 ( -19.764 4.164 4.752) 20.750 1.974 ( -9.601 8.938 -5.582) 14.256 2.105 ( -6.827 2.940 0.651) 7.461 2.232 ( -13.121 -1.590 -9.621) 16.348 2.280 ( -2.975 -4.229 -6.476) 8.287 2.471 ( -4.435 -4.674 -1.388) 6.591 2.533 ( -6.462 9.301 3.457) 11.841 2.714 ( 0.683 -1.361 1.636) 2.235 2.736 ( 2.247 -3.142 -0.690) 3.924 2.842 ( -3.571 -4.324 3.770) 6.758 2.896 ( -6.514 1.757 -3.188) 7.463 3.035 ( -0.538 -4.331 6.221) 7.599 3.130 ( -4.524 1.312 0.975) 4.810 3.291 ( -6.289 -2.695 6.780) 9.633 3.336 ( -5.091 -1.695 -1.837) 5.672 3.401 ( -3.147 -8.866 1.849) 9.588 3.433 ( -10.324 -2.753 2.074) 10.884 3.621 ( -1.043 3.892 1.357) 4.252 3.702 ( -5.244 1.788 1.993) 5.888 3.747 ( -3.502 -0.568 1.843) 3.998 3.799 ( -3.228 -8.476 1.995) 9.286 3.850 ( -5.446 4.699 -3.893) 8.179 3.898 ( -2.057 -1.835 1.332) 3.062 4.020 ( 1.037 2.281 0.981) 2.691 4.083 ( -1.296 -2.406 -3.335) 4.312 4.128 ( 1.102 -1.806 -1.380) 2.526 4.216 ( -1.912 -5.204 2.451) 6.062 4.253 ( -2.659 0.675 -0.281) 2.758 4.345 ( 0.844 -0.865 -0.803) 1.451 4.375 ( 2.062 -0.427 -1.847) 2.801 4.451 ( -2.304 -3.260 -5.208) 6.562 4.533 ( 0.820 5.012 -2.015) 5.463 4.570 ( -3.550 0.432 1.238) 3.785 4.641 ( 0.820 0.161 -1.441) 1.666 4.756 ( -1.862 -1.417 0.853) 2.490 4.925 ( -3.416 1.929 1.464) 4.187 4.975 ( -9.030 1.472 2.827) 9.576 5.064 ( 1.140 3.303 -2.407) 4.243 5.179 ( -3.736 0.197 -0.281) 3.752 5.343 ( 5.684 1.361 -3.582) 6.855 5.418 ( 7.944 -0.328 -1.824) 8.157 5.631 ( 5.104 -0.562 1.529) 5.358 5.667 ( 4.482 -0.785 1.165) 4.697 5.873 ( -9.514 7.487 -0.644) 12.123 5.943 ( -9.244 6.526 -3.379) 11.809 6.070 ( -8.999 -1.038 3.242) 9.621 6.150 ( -10.905 -2.554 -2.875) 11.564 6.450 ( -0.842 3.514 1.026) 3.756 6.535 ( 0.726 1.942 1.124) 2.359 6.747 ( 1.303 10.326 -1.872) 10.575 6.775 ( -13.864 6.896 4.872) 16.232 6.870 ( -2.398 1.329 5.440) 6.092 7.019 ( -9.646 4.397 -3.531) 11.174 7.135 ( -15.143 0.389 1.083) 15.187 7.175 ( 1.998 -2.767 -2.556) 4.264 7.419 ( -9.494 3.212 0.311) 10.028 7.624 ( -0.635 -2.882 -6.672) 7.296 7.720 ( -14.419 -7.296 -0.628) 16.172 7.769 ( -14.351 -6.954 0.678) 15.961 8.387 ( -4.820 3.225 0.098) 5.801 8.419 ( -6.828 0.989 1.473) 7.055 8.624 ( 1.866 -4.825 0.247) 5.179 8.674 ( -0.154 -6.897 4.061) 8.005 9.455 ( 1.469 0.889 0.572) 1.810 9.495 ( -0.140 -0.004 -0.556) 0.573 9.529 ( 1.818 -1.220 0.743) 2.312 9.597 ( 1.427 -2.169 -1.058) 2.803 10.243 ( -2.572 1.396 -0.881) 3.056 10.307 ( -3.318 -0.210 0.079) 3.326 10.339 ( -3.882 1.140 0.146) 4.049 10.434 ( -3.883 -1.706 0.695) 4.298 11.269 ( 1.155 10.152 0.325) 10.222 11.368 ( 2.292 12.485 1.811) 12.823 11.490 ( 7.703 0.128 -2.254) 8.027 11.547 ( 8.635 1.104 -1.767) 8.883 11.787 ( 11.678 0.634 2.029) 11.870 11.843 ( 14.892 4.049 -0.457) 15.439 12.286 ( 3.433 -13.656 1.921) 14.211 12.322 ( 6.612 -12.033 -1.795) 13.846 12.814 ( -1.348 -3.041 -0.275) 3.337 12.851 ( -0.323 -3.510 0.881) 3.633 12.882 ( 0.158 -6.586 -0.631) 6.618 12.918 ( -1.727 -5.665 -0.234) 5.927 13.757 ( 13.797 15.950 0.659) 21.099 13.772 ( 13.735 15.048 -0.837) 20.391 14.264 ( 11.118 -7.760 0.468) 13.566 14.273 ( 11.580 -7.294 -0.000) 13.686 14.420 ( 4.534 0.714 0.450) 4.612 14.464 ( 3.527 -0.890 0.934) 3.755 14.536 ( 5.536 0.495 -0.557) 5.586 14.581 ( 4.838 -1.317 -2.366) 5.544 15.846 ( 8.362 7.131 -1.113) 11.046 15.858 ( 7.528 7.640 0.700) 10.749 16.091 ( 8.885 -3.567 -0.298) 9.579 16.137 ( 8.787 -3.245 0.178) 9.369 16.999 ( -12.907 3.476 0.175) 13.368 17.063 ( -13.334 4.068 -1.642) 14.037 17.185 ( -16.333 -4.990 0.989) 17.107 17.239 ( -16.592 -3.193 -0.537) 16.905 17.750 ( -7.502 15.801 -0.750) 17.508 17.769 ( -7.756 12.839 0.818) 15.022 18.300 ( -4.175 -9.552 0.061) 10.424 18.345 ( -3.925 -8.335 0.226) 9.216 18.717 ( -6.467 1.121 -0.355) 6.573 18.791 ( -8.330 1.235 0.223) 8.424 19.071 ( -2.276 -10.842 -0.385) 11.085 19.095 ( -1.342 -9.953 0.382) 10.050 19.576 ( -0.560 0.711 -0.126) 0.913 19.599 ( -1.421 0.052 -0.151) 1.430 19.820 ( 1.286 4.744 0.546) 4.945 19.888 ( 0.857 5.248 -0.703) 5.364 20.040 ( 4.962 -3.136 1.666) 6.102 20.077 ( 2.768 -1.400 -1.546) 3.466 20.176 ( 0.045 -0.105 0.379) 0.396 20.225 ( -2.060 -0.499 -0.053) 2.120 20.419 ( 4.364 2.138 -1.663) 5.136 20.436 ( 2.251 0.831 0.791) 2.527 20.832 ( 20.836 7.857 -0.116) 22.268 20.918 ( 21.522 7.884 0.176) 22.921 21.107 ( 0.214 2.091 0.127) 2.106 21.145 ( 1.215 1.931 0.488) 2.333 21.451 ( 15.286 -10.307 -0.507) 18.443 21.471 ( 16.832 -11.349 0.632) 20.311 21.711 ( 4.015 0.338 -1.020) 4.157 21.740 ( 3.919 -0.169 0.178) 3.927 21.784 ( 9.505 -2.480 -0.808) 9.856 21.808 ( 10.229 -2.893 1.098) 10.687 22.042 ( 1.753 0.883 1.083) 2.242 22.058 ( 1.292 0.970 -0.723) 1.771 22.201 ( 5.657 -10.382 1.129) 11.877 22.216 ( 4.698 -10.191 -1.197) 11.285 25.097 ( -6.449 22.623 0.874) 23.540 25.156 ( -5.420 20.905 -0.597) 21.604 25.827 ( -10.697 -10.306 1.605) 14.940 25.863 ( -10.776 -12.049 -0.686) 16.180 26.332 ( -6.537 3.742 -0.733) 7.568 26.385 ( -6.637 4.920 0.306) 8.267 26.512 ( -6.775 -3.035 -0.479) 7.439 26.599 ( -5.770 -3.583 0.655) 6.824 26.883 ( -0.282 4.340 1.122) 4.492 26.904 ( -0.567 2.982 -1.709) 3.483 27.036 ( 1.342 -1.538 1.510) 2.539 27.076 ( 0.876 -2.303 -0.491) 2.513 27.675 ( -1.659 11.694 1.011) 11.854 27.715 ( -0.737 13.660 -1.335) 13.744 28.195 ( -2.512 -7.526 3.867) 8.826 28.256 ( -3.708 -7.403 -3.129) 8.851 28.891 ( -10.581 3.431 1.344) 11.204 28.936 ( -11.694 1.093 -1.629) 11.858 29.018 ( -8.581 2.844 1.016) 9.097 29.309 ( -3.100 -8.892 -0.919) 9.462 30.010 ( -15.500 7.559 1.603) 17.320 30.332 ( -10.966 0.098 3.994) 11.671 30.413 ( -12.445 4.886 -15.618) 20.559 30.634 ( -11.316 -9.296 4.655) 15.367 31.393 ( 18.045 2.027 0.458) 18.165 31.436 ( 15.635 1.757 0.150) 15.734 31.547 ( 16.018 -2.732 -1.984) 16.370 31.669 ( 11.748 -8.543 1.574) 14.610 32.735 ( -2.157 2.519 3.397) 4.748 32.828 ( -1.707 1.637 -1.430) 2.764 32.921 ( -2.586 -2.724 2.595) 4.565 33.050 ( -1.544 -6.682 -2.581) 7.328 33.660 ( 1.203 1.845 -1.098) 2.462 33.811 ( 5.552 -2.921 0.814) 6.326 34.022 ( 2.989 2.013 -0.737) 3.679 34.114 ( 5.108 -1.191 1.777) 5.538 36.960 ( -6.871 4.096 0.975) 8.058 37.046 ( -6.752 4.182 -1.076) 8.015 37.299 ( -9.292 -5.825 -0.415) 10.974 37.480 ( -5.322 -10.033 1.221) 11.423 39.004 ( 0.557 0.310 -3.600) 3.656 39.115 ( 5.887 -4.062 1.566) 7.322 39.519 ( -0.970 3.467 0.392) 3.622 39.635 ( 1.040 -0.916 1.160) 1.808 40.087 ( -2.008 6.139 -2.020) 6.768 40.204 ( -1.497 5.609 -0.360) 5.816 40.379 ( -3.870 4.234 2.594) 6.295 40.543 ( 2.384 2.111 1.778) 3.648 40.688 ( 1.406 0.193 5.906) 6.074 40.972 ( -0.003 -4.094 0.665) 4.148 41.010 ( -2.321 1.354 -1.884) 3.282 41.204 ( -2.611 -7.378 -18.341) 19.941 42.002 ( 2.865 6.515 1.029) 7.191 42.203 ( 3.382 -6.193 18.054) 19.384 42.331 ( 8.028 -5.737 6.499) 11.815 42.774 ( 3.184 -17.928 -10.294) 20.917 43.206 ( -9.021 5.229 3.171) 10.899 43.444 ( -6.552 -3.432 -2.603) 7.841 43.543 ( -7.291 -0.650 1.667) 7.507 43.851 ( -5.973 -10.819 -1.956) 12.513 ======================= Grid point 69 (37/60) ======================= q-point: (-0.14 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -14.151 13.722 9.736) 21.985 1.347 ( -12.840 12.260 13.896) 22.545 1.778 ( -6.231 11.493 -11.262) 17.255 1.897 ( -13.042 7.626 -11.684) 19.098 1.953 ( -17.342 -5.612 7.457) 19.694 2.157 ( -21.174 -1.775 -0.532) 21.255 2.202 ( -9.069 -5.153 -6.182) 12.125 2.362 ( -6.891 4.992 -4.050) 9.424 2.431 ( -18.724 -3.645 -2.075) 19.188 2.593 ( -11.352 6.964 4.999) 14.225 2.745 ( 0.633 -2.961 5.924) 6.652 2.925 ( 2.544 5.145 1.285) 5.882 3.012 ( 1.933 0.808 6.500) 6.830 3.139 ( 2.415 -0.072 -0.273) 2.431 3.224 ( -0.068 -2.379 3.109) 3.916 3.263 ( -4.108 -3.203 -1.964) 5.568 3.323 ( 0.281 -2.586 -2.734) 3.774 3.360 ( 0.601 -13.385 -1.796) 13.518 3.493 ( -12.752 -3.105 -2.806) 13.421 3.622 ( -2.003 5.057 -2.212) 5.872 3.722 ( 0.072 3.387 2.323) 4.107 3.741 ( -5.922 -10.522 -2.579) 12.346 3.754 ( -0.014 0.674 0.176) 0.696 3.856 ( -5.500 -0.495 0.492) 5.544 3.953 ( -1.920 0.198 4.022) 4.461 4.036 ( -1.529 1.991 -0.357) 2.536 4.137 ( -0.037 -3.253 2.132) 3.890 4.165 ( -0.287 -1.935 0.982) 2.188 4.240 ( 0.807 -1.920 -1.406) 2.513 4.372 ( -0.068 -1.444 -3.226) 3.535 4.387 ( 2.375 -3.061 1.627) 4.202 4.416 ( -0.889 -3.530 -3.980) 5.394 4.514 ( -3.702 1.250 0.608) 3.955 4.568 ( 1.792 -0.418 0.846) 2.025 4.654 ( 0.582 1.097 -0.706) 1.428 4.688 ( -1.734 -0.905 2.898) 3.496 4.788 ( -7.146 2.250 -1.343) 7.611 4.839 ( -2.527 0.010 1.996) 3.220 4.990 ( -6.123 0.890 -1.235) 6.310 5.040 ( -6.838 0.524 -4.947) 8.456 5.489 ( 4.027 6.273 4.706) 8.815 5.566 ( -2.567 4.153 -2.989) 5.725 5.635 ( 2.616 1.579 -0.158) 3.059 5.709 ( 0.223 0.607 -0.684) 0.942 5.752 ( -5.240 2.220 0.321) 5.700 5.786 ( -1.151 4.787 0.093) 4.924 5.832 ( -7.497 3.282 -1.463) 8.313 5.987 ( -8.335 -0.819 2.368) 8.704 6.391 ( -1.358 2.438 -2.506) 3.750 6.506 ( -1.203 1.004 -0.375) 1.611 6.591 ( -2.252 0.796 4.039) 4.693 6.663 ( -13.551 -1.543 -0.020) 13.639 6.753 ( -4.098 6.491 -0.266) 7.681 6.858 ( 1.937 5.174 -2.546) 6.083 6.999 ( -11.165 -3.448 3.531) 12.207 7.008 ( 2.296 0.572 2.392) 3.365 7.509 ( 1.847 1.522 1.599) 2.878 7.556 ( 2.653 -1.535 -2.531) 3.975 7.592 ( -2.420 -1.021 0.553) 2.684 7.739 ( 5.703 -4.832 -6.382) 9.829 8.333 ( -0.729 1.931 1.642) 2.637 8.377 ( 2.039 2.553 -2.362) 4.032 8.627 ( -1.494 -5.997 2.889) 6.822 8.672 ( -0.132 -6.197 0.711) 6.239 9.486 ( -0.122 0.852 -0.523) 1.007 9.491 ( 1.977 0.527 0.494) 2.105 9.554 ( 0.153 -0.951 0.936) 1.343 9.584 ( -2.044 -1.151 -1.192) 2.632 10.188 ( -2.081 1.506 -0.353) 2.593 10.238 ( -2.640 1.089 0.292) 2.870 10.270 ( -2.041 -0.912 -0.763) 2.362 10.334 ( -4.847 -2.520 0.953) 5.545 11.303 ( 1.510 11.517 1.092) 11.667 11.400 ( 0.762 13.732 0.050) 13.753 11.614 ( 3.825 -1.969 0.573) 4.340 11.701 ( 5.403 -1.102 -3.097) 6.325 11.990 ( 6.900 -0.202 1.983) 7.183 12.085 ( 7.310 2.662 -1.036) 7.848 12.365 ( 3.378 -10.847 2.367) 11.605 12.455 ( 5.332 -9.490 -2.191) 11.104 12.766 ( -2.412 -1.888 0.418) 3.091 12.827 ( -2.578 -1.417 -0.160) 2.946 12.867 ( -0.468 -9.427 0.228) 9.442 12.895 ( -0.282 -7.212 -0.469) 7.233 14.013 ( 8.897 14.212 0.617) 16.779 14.039 ( 9.064 14.697 -0.201) 17.268 14.396 ( 1.842 -2.325 0.013) 2.966 14.407 ( 3.268 -4.399 -0.013) 5.480 14.538 ( 3.527 0.649 1.464) 3.874 14.631 ( 9.708 -1.450 -1.184) 9.887 14.696 ( 8.060 -2.902 -0.693) 8.595 14.751 ( 10.840 -3.056 -1.628) 11.380 16.065 ( 7.905 4.874 -0.017) 9.287 16.077 ( 9.724 4.134 -1.052) 10.619 16.161 ( -3.022 -0.212 -0.209) 3.037 16.178 ( -5.262 0.213 0.302) 5.275 16.656 ( -13.953 3.478 -0.986) 14.414 16.684 ( -11.953 4.329 0.469) 12.721 16.967 ( -6.366 -5.162 -0.494) 8.211 17.027 ( -4.244 -6.518 0.619) 7.803 17.726 ( 5.282 16.384 -1.034) 17.246 17.767 ( 5.685 16.246 1.085) 17.246 18.196 ( -5.272 -5.428 -0.193) 7.569 18.224 ( -6.282 -3.421 -0.052) 7.153 18.628 ( -3.623 1.009 0.302) 3.773 18.668 ( -3.091 -1.688 -0.048) 3.523 19.009 ( -3.484 -13.110 0.106) 13.565 19.065 ( -2.400 -13.086 -0.140) 13.305 19.559 ( -0.692 -0.044 0.055) 0.696 19.565 ( -1.377 0.508 -0.011) 1.468 19.846 ( 1.494 2.159 0.414) 2.658 19.899 ( 0.246 3.776 -0.207) 3.790 20.074 ( -0.170 -5.241 -0.178) 5.247 20.112 ( -0.874 -4.848 0.362) 4.939 20.141 ( -1.988 0.144 0.221) 2.005 20.165 ( -1.830 -0.958 -0.218) 2.077 20.456 ( 0.555 1.495 0.326) 1.627 20.499 ( 3.148 0.008 -1.606) 3.534 21.070 ( 1.584 1.104 -0.383) 1.968 21.074 ( -0.009 1.282 -0.197) 1.297 21.312 ( 13.748 8.547 -1.330) 16.243 21.353 ( 12.065 8.059 1.906) 14.634 21.594 ( 0.528 -3.503 -1.055) 3.696 21.638 ( 0.846 -4.140 0.744) 4.291 21.809 ( 2.294 3.518 0.295) 4.210 21.843 ( 3.897 2.630 -0.853) 4.778 21.967 ( 2.887 -1.293 0.437) 3.194 22.007 ( 4.012 -1.690 -1.275) 4.537 22.168 ( 11.809 1.526 0.323) 11.912 22.237 ( 14.515 1.533 0.467) 14.603 22.464 ( 19.327 -16.529 -0.182) 25.431 22.539 ( 21.962 -15.729 2.019) 27.089 24.927 ( -8.115 19.886 0.888) 21.497 24.994 ( -8.094 18.454 -0.611) 20.160 25.505 ( -17.942 -5.674 1.086) 18.848 25.542 ( -18.035 -8.483 -0.610) 19.940 26.237 ( -1.788 1.123 -0.178) 2.119 26.266 ( -2.541 2.305 -0.668) 3.495 26.380 ( -5.436 -4.003 1.236) 6.863 26.474 ( -5.330 -5.071 -0.827) 7.404 26.867 ( -1.100 4.861 1.278) 5.145 26.906 ( 0.463 2.468 -1.782) 3.079 27.057 ( 0.428 -0.785 -1.254) 1.540 27.069 ( -1.571 -1.044 2.158) 2.866 27.613 ( -3.427 10.219 1.696) 10.911 27.690 ( -1.571 15.198 -1.685) 15.371 28.102 ( -3.907 -8.316 0.302) 9.193 28.228 ( 0.323 -5.598 -0.018) 5.608 28.687 ( -8.619 2.094 -1.144) 8.944 28.717 ( -6.364 1.972 3.017) 7.314 28.802 ( -10.549 4.340 -0.242) 11.409 29.201 ( -7.195 -13.816 -4.381) 16.182 29.782 ( -6.361 5.787 1.166) 8.678 30.072 ( -12.754 2.341 -13.681) 18.850 30.247 ( -0.732 1.226 -3.135) 3.445 30.449 ( -5.799 -10.110 2.564) 11.934 31.718 ( 11.503 1.419 1.265) 11.659 31.729 ( 10.978 0.405 -0.104) 10.986 31.804 ( 8.124 -1.304 -1.024) 8.291 31.868 ( 5.668 -4.017 0.774) 6.990 32.688 ( -2.753 1.448 7.085) 7.738 32.797 ( -1.653 -2.114 5.795) 6.386 32.869 ( -1.371 0.372 -0.954) 1.711 33.026 ( -0.027 -5.593 -2.900) 6.300 33.709 ( 3.304 3.607 0.546) 4.922 33.913 ( 2.955 -4.210 0.236) 5.149 34.130 ( 6.920 4.787 -1.595) 8.564 34.221 ( 3.909 0.856 1.239) 4.189 36.824 ( -5.323 1.873 0.723) 5.689 36.881 ( -7.620 0.647 -0.842) 7.693 37.121 ( -6.132 -0.890 0.006) 6.196 37.303 ( -10.718 -7.846 -0.535) 13.294 39.034 ( 3.548 2.840 1.751) 4.871 39.225 ( 3.833 -4.890 1.519) 6.396 39.505 ( -0.360 3.848 -0.670) 3.922 39.641 ( -1.021 -1.391 3.207) 3.642 40.051 ( -1.567 6.118 -1.096) 6.410 40.185 ( -1.061 -0.458 -2.092) 2.390 40.324 ( 0.786 6.529 0.129) 6.577 40.560 ( -1.666 -2.576 0.818) 3.175 40.721 ( 0.811 0.785 6.138) 6.241 40.902 ( -6.134 -5.401 8.650) 11.900 40.972 ( -0.728 3.310 -6.673) 7.484 41.162 ( 0.839 -6.088 -14.959) 16.172 42.070 ( 0.581 1.604 14.220) 14.322 42.331 ( 7.617 -4.829 13.610) 16.327 42.491 ( 3.288 -4.495 2.790) 6.229 42.804 ( 1.068 -9.693 -10.218) 14.124 43.074 ( -0.477 -0.136 -1.183) 1.282 43.278 ( -8.463 -5.923 -0.323) 10.335 43.381 ( -6.755 0.374 1.080) 6.851 43.677 ( -9.407 -12.397 -1.776) 15.663 ======================= Grid point 70 (38/60) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( -0.833 -12.123 9.874) 15.658 1.355 ( -0.833 12.123 9.874) 15.658 1.510 ( -4.889 -14.340 8.708) 17.475 1.510 ( -4.889 14.340 8.708) 17.475 1.859 ( -3.571 -6.036 -11.646) 13.594 1.859 ( -3.571 6.036 -11.646) 13.594 2.035 ( 5.813 -4.687 -9.807) 12.326 2.035 ( 5.813 4.687 -9.807) 12.326 2.603 ( -1.507 -4.019 2.666) 5.053 2.603 ( -1.507 4.019 2.666) 5.053 2.886 ( 0.559 -19.957 7.667) 21.387 2.886 ( 0.559 19.957 7.667) 21.387 3.009 ( -0.212 -0.861 5.416) 5.488 3.009 ( -0.212 0.861 5.416) 5.488 3.236 ( 2.674 -1.301 -6.722) 7.351 3.236 ( 2.674 1.301 -6.722) 7.351 3.303 ( 0.964 -9.116 -9.060) 12.889 3.303 ( 0.964 9.116 -9.060) 12.889 3.415 ( 1.245 -0.801 1.690) 2.247 3.415 ( 1.245 0.801 1.690) 2.247 3.659 ( -1.163 -1.517 -1.371) 2.353 3.659 ( -1.163 1.517 -1.371) 2.353 3.842 ( -0.748 -2.698 1.592) 3.221 3.842 ( -0.748 2.698 1.592) 3.221 3.957 ( 0.474 -4.090 4.222) 5.898 3.957 ( 0.474 4.090 4.222) 5.898 4.166 ( 0.420 -0.963 4.358) 4.482 4.166 ( 0.420 0.963 4.358) 4.482 4.271 ( 0.890 -2.742 -0.971) 3.042 4.271 ( 0.890 2.742 -0.971) 3.042 4.386 ( 1.289 -0.476 -1.955) 2.390 4.386 ( 1.289 0.476 -1.955) 2.390 4.509 ( -1.818 -3.088 3.624) 5.097 4.509 ( -1.818 3.088 3.624) 5.097 4.687 ( -0.301 -1.529 -2.684) 3.103 4.687 ( -0.301 1.529 -2.684) 3.103 4.784 ( -0.711 -4.507 -3.550) 5.782 4.784 ( -0.711 4.507 -3.550) 5.782 4.890 ( -1.378 -1.545 1.393) 2.496 4.890 ( -1.378 1.545 1.393) 2.496 5.516 ( -2.244 -4.161 -3.068) 5.636 5.516 ( -2.244 4.161 -3.068) 5.636 5.687 ( 0.125 -5.306 5.265) 7.475 5.687 ( 0.125 5.306 5.265) 7.475 5.826 ( 0.245 -0.672 -0.679) 0.986 5.826 ( 0.245 0.672 -0.679) 0.986 5.871 ( 4.012 -3.375 -0.339) 5.254 5.871 ( 4.012 3.375 -0.339) 5.254 6.458 ( -2.237 -1.400 -1.401) 2.987 6.458 ( -2.237 1.400 -1.401) 2.987 6.540 ( 2.124 -0.729 0.688) 2.349 6.540 ( 2.124 0.729 0.688) 2.349 6.787 ( -0.221 -2.433 0.418) 2.478 6.787 ( -0.221 2.433 0.418) 2.478 6.991 ( -1.030 -2.933 -1.831) 3.607 6.991 ( -1.030 2.933 -1.831) 3.607 7.539 ( -1.029 -5.242 0.820) 5.404 7.539 ( -1.029 5.242 0.820) 5.404 7.695 ( -0.453 -4.633 -0.703) 4.708 7.695 ( -0.453 4.633 -0.703) 4.708 8.395 ( 1.331 -3.909 1.040) 4.259 8.395 ( 1.331 3.909 1.040) 4.259 8.574 ( -0.050 -2.586 -0.696) 2.678 8.574 ( -0.050 2.586 -0.696) 2.678 9.509 ( 0.319 -0.621 0.414) 0.811 9.509 ( 0.319 0.621 0.414) 0.811 9.550 ( -0.105 -0.406 -0.461) 0.623 9.550 ( -0.105 0.406 -0.461) 0.623 10.204 ( -0.052 -2.172 0.708) 2.285 10.204 ( -0.052 2.172 0.708) 2.285 10.236 ( 0.025 -1.458 -0.727) 1.629 10.236 ( 0.025 1.458 -0.727) 1.629 11.541 ( -0.245 -6.496 0.614) 6.529 11.541 ( -0.245 6.496 0.614) 6.529 11.670 ( 0.314 -7.180 -0.518) 7.205 11.670 ( 0.314 7.180 -0.518) 7.205 12.151 ( -0.092 -7.696 0.891) 7.748 12.151 ( -0.092 7.696 0.891) 7.748 12.291 ( -0.123 -8.056 -1.132) 8.137 12.291 ( -0.123 8.056 -1.132) 8.137 12.747 ( 0.392 -2.026 1.026) 2.304 12.747 ( 0.392 2.026 1.026) 2.304 12.800 ( -0.274 -1.954 -0.939) 2.185 12.800 ( -0.274 1.954 -0.939) 2.185 14.302 ( 0.082 -5.211 0.728) 5.262 14.302 ( 0.082 5.211 0.728) 5.262 14.374 ( -0.073 -6.034 -0.309) 6.042 14.374 ( -0.073 6.034 -0.309) 6.042 14.679 ( 0.350 -6.173 1.872) 6.460 14.679 ( 0.350 6.173 1.872) 6.460 14.792 ( -0.319 -4.838 -3.370) 5.905 14.792 ( -0.319 4.838 -3.370) 5.905 16.071 ( -0.241 -2.168 0.077) 2.183 16.071 ( -0.241 2.168 0.077) 2.183 16.125 ( 0.122 -3.001 -0.467) 3.040 16.125 ( 0.122 3.001 -0.467) 3.040 16.789 ( -0.054 -7.728 0.148) 7.730 16.789 ( -0.054 7.728 0.148) 7.730 16.833 ( -0.077 -7.436 0.062) 7.437 16.833 ( -0.077 7.436 0.062) 7.437 18.028 ( 0.470 -3.752 -0.289) 3.792 18.028 ( 0.470 3.752 -0.289) 3.792 18.051 ( -0.109 -3.669 0.045) 3.671 18.051 ( -0.109 3.669 0.045) 3.671 18.697 ( -0.068 -7.284 0.153) 7.286 18.697 ( -0.068 7.284 0.153) 7.286 18.739 ( -0.094 -8.983 -0.035) 8.984 18.739 ( -0.094 8.983 -0.035) 8.984 19.552 ( -0.027 -0.395 0.071) 0.402 19.552 ( -0.027 0.395 0.071) 0.402 19.933 ( 0.049 -3.935 0.289) 3.946 19.933 ( 0.049 3.935 0.289) 3.946 19.988 ( -0.082 -3.687 -0.100) 3.689 19.988 ( -0.082 3.687 -0.100) 3.689 20.129 ( 0.088 -0.170 -0.095) 0.214 20.129 ( 0.088 0.170 -0.095) 0.214 20.498 ( -0.074 -1.615 -0.396) 1.664 20.498 ( -0.074 1.615 -0.396) 1.664 21.095 ( 0.002 -0.457 -0.352) 0.577 21.095 ( 0.002 0.457 -0.352) 0.577 21.529 ( -0.684 -1.080 -0.799) 1.508 21.529 ( -0.684 1.080 -0.799) 1.508 21.592 ( 0.158 -0.239 0.197) 0.348 21.592 ( 0.158 0.239 0.197) 0.348 21.916 ( 0.402 -4.269 1.230) 4.461 21.916 ( 0.402 4.269 1.230) 4.461 21.973 ( 0.089 -4.447 -1.300) 4.634 21.973 ( 0.089 4.447 -1.300) 4.634 22.484 ( 1.604 -6.512 1.565) 6.887 22.484 ( 1.604 6.512 1.565) 6.887 22.561 ( -1.296 -6.072 0.755) 6.254 22.561 ( -1.296 6.072 0.755) 6.254 25.113 ( 0.039 -9.883 0.309) 9.888 25.113 ( 0.039 9.883 0.309) 9.888 25.152 ( -0.686 -7.665 -0.918) 7.750 25.152 ( -0.686 7.665 -0.918) 7.750 26.246 ( 0.858 -2.398 1.261) 2.842 26.246 ( 0.858 2.398 1.261) 2.842 26.311 ( -0.219 -3.582 -1.611) 3.934 26.311 ( -0.219 3.582 -1.611) 3.934 26.911 ( 0.293 -1.558 0.131) 1.591 26.911 ( 0.293 1.558 0.131) 1.591 27.047 ( -0.262 -1.161 0.061) 1.192 27.047 ( -0.262 1.161 0.061) 1.192 27.836 ( 0.034 -12.724 2.876) 13.045 27.836 ( 0.034 12.724 2.876) 13.045 28.012 ( -0.527 -12.871 -3.118) 13.254 28.012 ( -0.527 12.871 -3.118) 13.254 28.650 ( 1.448 -2.312 3.028) 4.076 28.650 ( 1.448 2.312 3.028) 4.076 28.805 ( -1.420 -8.955 -3.382) 9.677 28.805 ( -1.420 8.955 -3.382) 9.677 29.855 ( -0.771 -7.407 0.982) 7.512 29.855 ( -0.771 7.407 0.982) 7.512 30.256 ( 0.802 -6.577 -8.035) 10.415 30.256 ( 0.802 6.577 -8.035) 10.415 31.848 ( 0.105 -0.058 0.609) 0.620 31.848 ( 0.105 0.058 0.609) 0.620 31.896 ( -0.706 -0.277 -0.364) 0.841 31.896 ( -0.706 0.277 -0.364) 0.841 32.696 ( -0.565 -2.653 8.749) 9.159 32.696 ( -0.565 2.653 8.749) 9.159 32.936 ( 0.833 -3.822 -3.272) 5.100 32.936 ( 0.833 3.822 -3.272) 5.100 33.867 ( 0.484 -3.890 1.660) 4.257 33.867 ( 0.484 3.890 1.660) 4.257 34.270 ( -0.211 -0.548 -0.920) 1.091 34.270 ( -0.211 0.548 -0.920) 1.091 36.776 ( -0.124 -0.597 0.160) 0.630 36.776 ( -0.124 0.597 0.160) 0.630 37.095 ( -0.178 -1.569 -0.191) 1.591 37.095 ( -0.178 1.569 -0.191) 1.591 39.206 ( 3.053 -2.578 5.047) 6.437 39.206 ( 3.053 2.578 5.047) 6.437 39.545 ( -2.397 -1.779 -2.426) 3.846 39.545 ( -2.397 1.779 -2.426) 3.846 40.139 ( 0.266 -3.065 -2.242) 3.807 40.139 ( 0.266 3.065 -2.242) 3.807 40.441 ( 0.966 -2.361 -0.014) 2.551 40.441 ( 0.966 2.361 -0.014) 2.551 40.737 ( -2.743 -1.141 8.150) 8.674 40.737 ( -2.743 1.141 8.150) 8.674 41.080 ( 2.763 -5.523 -8.833) 10.778 41.080 ( 2.763 5.523 -8.833) 10.778 42.171 ( -4.964 -9.712 14.708) 18.311 42.171 ( -4.964 9.712 14.708) 18.311 42.702 ( 5.246 -7.121 -9.943) 13.308 42.702 ( 5.246 7.121 -9.943) 13.308 43.073 ( -1.352 -2.736 1.437) 3.373 43.073 ( -1.352 2.736 1.437) 3.373 43.341 ( -0.283 -3.267 -0.424) 3.307 43.341 ( -0.283 3.267 -0.424) 3.307 ======================= Grid point 72 (39/60) ======================= q-point: ( 0.14 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 10.039 -2.554 9.710) 14.198 1.405 ( 10.039 2.554 9.710) 14.198 1.838 ( 18.926 -2.059 -5.454) 19.804 1.838 ( 18.926 2.059 -5.454) 19.804 1.892 ( 10.759 -4.619 -4.242) 12.454 1.892 ( 10.759 4.619 -4.242) 12.454 2.332 ( 15.975 -1.197 -4.970) 16.773 2.332 ( 15.975 1.197 -4.970) 16.773 2.602 ( 1.697 -5.115 0.524) 5.414 2.602 ( 1.697 5.115 0.524) 5.414 2.907 ( 2.049 -16.282 7.541) 18.061 2.907 ( 2.049 16.282 7.541) 18.061 3.056 ( 1.159 -3.077 6.344) 7.145 3.056 ( 1.159 3.077 6.344) 7.145 3.126 ( -3.513 -3.968 -4.790) 7.144 3.126 ( -3.513 3.968 -4.790) 7.144 3.389 ( 1.424 -10.799 0.579) 10.908 3.389 ( 1.424 10.799 0.579) 10.908 3.588 ( 12.651 -0.612 -4.328) 13.385 3.588 ( 12.651 0.612 -4.328) 13.385 3.706 ( 4.132 -1.588 -1.234) 4.595 3.706 ( 4.132 1.588 -1.234) 4.595 3.809 ( -0.196 -2.199 1.800) 2.849 3.809 ( -0.196 2.199 1.800) 2.849 3.980 ( 0.912 -2.889 3.178) 4.391 3.980 ( 0.912 2.889 3.178) 4.391 4.174 ( 0.972 -1.478 2.344) 2.937 4.174 ( 0.972 1.478 2.344) 2.937 4.255 ( -1.734 -1.808 -1.916) 3.154 4.255 ( -1.734 1.808 -1.916) 3.154 4.442 ( 2.349 -3.946 -2.349) 5.158 4.442 ( 2.349 3.946 -2.349) 5.158 4.502 ( 2.980 -2.663 1.532) 4.280 4.502 ( 2.980 2.663 1.532) 4.280 4.607 ( -4.500 -2.220 -2.165) 5.465 4.607 ( -4.500 2.220 -2.165) 5.465 4.827 ( 3.744 -0.876 4.166) 5.669 4.827 ( 3.744 0.876 4.166) 5.669 4.971 ( 6.589 -2.299 -4.595) 8.356 4.971 ( 6.589 2.299 -4.595) 8.356 5.568 ( 4.431 -5.165 0.258) 6.810 5.568 ( 4.431 5.165 0.258) 6.810 5.670 ( -1.149 -1.801 1.553) 2.641 5.670 ( -1.149 1.801 1.553) 2.641 5.824 ( -2.301 -6.318 -2.352) 7.124 5.824 ( -2.301 6.318 -2.352) 7.124 6.012 ( 7.929 -4.222 -0.009) 8.983 6.012 ( 7.929 4.222 -0.009) 8.983 6.473 ( 7.952 -3.839 -1.512) 8.958 6.473 ( 7.952 3.839 -1.512) 8.958 6.629 ( 3.497 -3.428 4.326) 6.534 6.629 ( 3.497 3.428 4.326) 6.534 6.851 ( 5.870 -4.786 0.049) 7.574 6.851 ( 5.870 4.786 0.049) 7.574 6.958 ( 1.627 -4.343 -2.410) 5.227 6.958 ( 1.627 4.343 -2.410) 5.227 7.484 ( -4.575 -5.679 0.213) 7.296 7.484 ( -4.575 5.679 0.213) 7.296 7.639 ( -2.592 -3.339 -1.150) 4.381 7.639 ( -2.592 3.339 -1.150) 4.381 8.430 ( 1.608 -4.808 1.460) 5.275 8.430 ( 1.608 4.808 1.460) 5.275 8.570 ( -0.302 -3.343 -0.303) 3.370 8.570 ( -0.302 3.343 -0.303) 3.370 9.502 ( -0.835 -1.114 0.160) 1.402 9.502 ( -0.835 1.114 0.160) 1.402 9.558 ( 0.516 -1.860 -0.225) 1.944 9.558 ( 0.516 1.860 -0.225) 1.944 10.234 ( 2.994 -1.797 -0.674) 3.557 10.234 ( 2.994 1.797 -0.674) 3.557 10.274 ( 3.039 -2.117 0.714) 3.772 10.274 ( 3.039 2.117 0.714) 3.772 11.510 ( -2.659 -3.538 0.453) 4.449 11.510 ( -2.659 3.538 0.453) 4.449 11.648 ( -2.354 -5.059 -0.486) 5.601 11.648 ( -2.354 5.059 -0.486) 5.601 12.081 ( -6.193 -5.844 0.592) 8.535 12.081 ( -6.193 5.844 0.592) 8.535 12.225 ( -5.878 -6.565 -0.623) 8.834 12.225 ( -5.878 6.565 -0.623) 8.834 12.774 ( 1.283 -0.954 1.045) 1.910 12.774 ( 1.283 0.954 1.045) 1.910 12.808 ( 1.485 -1.197 -1.086) 2.195 12.808 ( 1.485 1.197 -1.086) 2.195 14.256 ( -5.101 -8.441 0.642) 9.884 14.256 ( -5.101 8.441 0.642) 9.884 14.304 ( -7.052 -9.625 -0.096) 11.932 14.304 ( -7.052 9.625 -0.095) 11.932 14.590 ( -7.457 -2.260 1.570) 7.948 14.590 ( -7.457 2.260 1.570) 7.948 14.670 ( -8.187 -2.534 -2.872) 9.038 14.670 ( -8.187 2.534 -2.872) 9.038 16.128 ( -0.807 -1.266 -0.697) 1.655 16.128 ( -0.807 1.266 -0.697) 1.655 16.157 ( -0.141 -0.721 0.193) 0.759 16.157 ( -0.141 0.721 0.193) 0.759 16.790 ( 5.285 -6.968 0.223) 8.748 16.790 ( 5.285 6.968 0.223) 8.748 16.855 ( 6.293 -7.934 -0.409) 10.135 16.855 ( 6.293 7.934 -0.409) 10.135 18.021 ( -0.251 -10.577 -0.171) 10.581 18.021 ( -0.251 10.577 -0.171) 10.581 18.087 ( 1.852 -10.549 0.305) 10.715 18.087 ( 1.852 10.549 0.305) 10.715 18.754 ( 4.214 -8.843 0.180) 9.797 18.754 ( 4.214 8.843 0.180) 9.797 18.762 ( 2.977 -10.162 -0.197) 10.591 18.762 ( 2.977 10.162 -0.197) 10.591 19.563 ( 0.976 -0.409 0.053) 1.060 19.563 ( 0.976 0.409 0.053) 1.060 19.944 ( 0.316 -5.772 -0.000) 5.781 19.944 ( 0.316 5.772 -0.000) 5.781 20.000 ( 1.231 -5.574 -0.020) 5.708 20.000 ( 1.231 5.574 -0.020) 5.708 20.155 ( 2.232 -0.316 0.023) 2.254 20.155 ( 2.232 0.316 0.023) 2.254 20.481 ( -1.396 -1.213 -0.287) 1.871 20.481 ( -1.396 1.213 -0.287) 1.871 21.086 ( -0.696 -0.286 -0.389) 0.847 21.086 ( -0.696 0.286 -0.389) 0.847 21.452 ( -7.128 -6.414 -0.192) 9.591 21.452 ( -7.128 6.414 -0.192) 9.591 21.534 ( -6.740 -5.876 0.366) 8.949 21.534 ( -6.740 5.876 0.366) 8.949 21.900 ( -3.786 -3.775 0.938) 5.428 21.900 ( -3.786 3.775 0.938) 5.428 21.944 ( -4.407 -4.129 -1.476) 6.217 21.944 ( -4.407 4.129 -1.476) 6.217 22.257 ( -17.500 -5.566 -0.489) 18.371 22.257 ( -17.500 5.566 -0.489) 18.371 22.294 ( -16.614 -7.219 1.984) 18.223 22.294 ( -16.614 7.219 1.984) 18.223 25.274 ( 12.066 -12.276 0.611) 17.224 25.274 ( 12.066 12.276 0.611) 17.224 25.318 ( 12.796 -11.211 -0.681) 17.027 25.318 ( 12.796 11.211 -0.681) 17.027 26.319 ( 5.574 -4.896 0.743) 7.457 26.319 ( 5.574 4.896 0.743) 7.457 26.350 ( 4.426 -4.794 -0.941) 6.592 26.350 ( 4.426 4.794 -0.941) 6.592 26.935 ( 1.017 -3.003 -0.184) 3.176 26.935 ( 1.017 3.003 -0.184) 3.176 27.046 ( 0.028 -3.295 0.609) 3.351 27.046 ( 0.028 3.295 0.609) 3.351 27.847 ( 1.229 -12.377 0.869) 12.468 27.847 ( 1.229 12.377 0.869) 12.468 28.027 ( 1.978 -13.110 -1.019) 13.297 28.027 ( 1.978 13.110 -1.019) 13.297 28.758 ( 7.816 -4.489 2.025) 9.238 28.758 ( 7.816 4.489 2.025) 9.238 28.908 ( 9.485 -6.921 -2.231) 11.952 28.908 ( 9.485 6.921 -2.231) 11.952 29.932 ( 7.878 -6.805 1.452) 10.511 29.932 ( 7.878 6.805 1.452) 10.511 30.323 ( 6.496 -10.567 -7.408) 14.448 30.323 ( 6.496 10.567 -7.408) 14.448 31.722 ( -11.197 -0.816 0.474) 11.237 31.722 ( -11.197 0.816 0.474) 11.237 31.801 ( -8.332 -2.404 0.778) 8.707 31.801 ( -8.332 2.404 0.778) 8.707 32.736 ( 2.946 -3.474 5.719) 7.311 32.736 ( 2.946 3.474 5.719) 7.311 32.943 ( 0.225 -3.795 -2.462) 4.529 32.943 ( 0.225 3.795 -2.462) 4.529 33.825 ( -3.850 -2.708 0.794) 4.774 33.825 ( -3.850 2.708 0.794) 4.774 34.198 ( -5.716 -2.688 -0.345) 6.326 34.198 ( -5.716 2.688 -0.345) 6.326 36.859 ( 7.281 -1.723 0.148) 7.483 36.859 ( 7.281 1.723 0.148) 7.483 37.162 ( 5.713 -4.313 0.037) 7.158 37.162 ( 5.713 4.313 0.037) 7.158 39.184 ( -5.347 -2.196 1.285) 5.921 39.184 ( -5.347 2.196 1.285) 5.921 39.546 ( 2.532 -3.064 0.397) 3.995 39.546 ( 2.532 3.064 0.397) 3.995 40.157 ( 2.007 -4.706 -2.968) 5.915 40.157 ( 2.007 4.706 -2.968) 5.915 40.485 ( 1.900 -7.680 1.900) 8.136 40.485 ( 1.900 7.680 1.900) 8.136 40.711 ( -0.077 -1.060 4.894) 5.008 40.711 ( -0.077 1.060 4.894) 5.008 41.134 ( 2.853 -6.564 -7.864) 10.634 41.134 ( 2.853 6.564 -7.864) 10.634 42.059 ( -5.606 -9.507 11.673) 16.065 42.059 ( -5.606 9.507 11.673) 16.065 42.676 ( -6.787 -4.057 -5.435) 9.594 42.676 ( -6.787 4.057 -5.435) 9.594 43.144 ( 8.544 -5.899 0.266) 10.386 43.144 ( 8.544 5.899 0.266) 10.386 43.452 ( 8.243 -5.641 -0.468) 9.999 43.452 ( 8.243 5.641 -0.468) 9.999 ======================= Grid point 74 (40/60) ======================= q-point: ( 0.29 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 14.156 -1.978 3.871) 14.808 1.694 ( 14.156 1.978 3.871) 14.808 2.063 ( 7.806 -7.447 -0.962) 10.831 2.063 ( 7.806 7.447 -0.962) 10.831 2.205 ( 8.079 -4.242 -3.944) 9.941 2.205 ( 8.079 4.242 -3.944) 9.941 2.515 ( 2.841 -1.872 -4.642) 5.755 2.515 ( 2.841 1.872 -4.642) 5.755 2.700 ( 8.519 -8.564 0.111) 12.081 2.700 ( 8.519 8.564 0.111) 12.081 2.973 ( -2.885 -2.316 2.344) 4.380 2.973 ( -2.885 2.316 2.344) 4.380 3.028 ( 6.304 -7.312 2.898) 10.081 3.028 ( 6.304 7.312 2.898) 10.081 3.249 ( 6.927 -3.321 1.301) 7.792 3.249 ( 6.927 3.321 1.301) 7.792 3.385 ( 1.182 -3.947 2.012) 4.585 3.385 ( 1.182 3.947 2.012) 4.585 3.726 ( 0.707 -2.569 3.040) 4.042 3.726 ( 0.707 2.569 3.040) 4.042 3.782 ( 3.566 -0.938 2.359) 4.377 3.782 ( 3.566 0.938 2.359) 4.377 3.848 ( 1.083 -3.528 0.957) 3.813 3.848 ( 1.083 3.528 0.957) 3.813 4.035 ( 3.252 -2.198 -5.146) 6.472 4.035 ( 3.252 2.198 -5.146) 6.472 4.222 ( -0.145 -1.744 -0.222) 1.764 4.222 ( -0.145 1.744 -0.222) 1.764 4.251 ( 4.564 -1.551 1.519) 5.054 4.251 ( 4.564 1.551 1.519) 5.054 4.464 ( -0.502 -1.686 -3.596) 4.003 4.464 ( -0.502 1.686 -3.596) 4.003 4.553 ( 1.640 -2.484 -1.294) 3.246 4.553 ( 1.640 2.484 -1.294) 3.246 4.622 ( 3.809 -1.509 0.634) 4.146 4.622 ( 3.809 1.509 0.634) 4.146 4.919 ( 5.291 -1.961 4.219) 7.046 4.919 ( 5.291 1.961 4.219) 7.046 5.096 ( 4.043 -0.378 -3.300) 5.233 5.096 ( 4.043 0.378 -3.300) 5.233 5.484 ( -11.361 -4.806 -2.566) 12.600 5.484 ( -11.361 4.806 -2.566) 12.600 5.596 ( -4.034 -3.425 1.099) 5.405 5.596 ( -4.034 3.425 1.099) 5.405 5.924 ( 9.253 -3.140 1.451) 9.879 5.924 ( 9.253 3.140 1.451) 9.879 6.151 ( 5.986 -6.592 -2.712) 9.308 6.151 ( 5.986 6.592 -2.712) 9.308 6.595 ( 1.783 -4.610 -0.704) 4.992 6.595 ( 1.783 4.610 -0.704) 4.992 6.751 ( 4.991 -2.265 3.571) 6.542 6.751 ( 4.991 2.265 3.571) 6.542 7.051 ( 8.603 -2.655 1.100) 9.070 7.051 ( 8.603 2.655 1.100) 9.070 7.102 ( 6.378 -4.150 -3.599) 8.418 7.102 ( 6.378 4.150 -3.599) 8.418 7.511 ( 16.110 -8.013 1.214) 18.034 7.511 ( 16.110 8.013 1.214) 18.034 7.657 ( 7.378 -4.044 -1.927) 8.632 7.657 ( 7.378 4.044 -1.927) 8.632 8.463 ( 0.995 -3.118 0.947) 3.407 8.463 ( 0.995 3.118 0.947) 3.407 8.570 ( 0.944 -1.929 1.238) 2.479 8.570 ( 0.944 1.929 1.238) 2.479 9.481 ( -1.124 -1.624 0.552) 2.051 9.481 ( -1.124 1.624 0.552) 2.051 9.550 ( -1.483 -1.338 -0.565) 2.076 9.550 ( -1.483 1.338 -0.565) 2.076 10.316 ( 4.071 -2.693 -2.083) 5.308 10.316 ( 4.071 2.693 -2.083) 5.308 10.347 ( 3.319 -1.892 2.111) 4.365 10.347 ( 3.319 1.892 2.111) 4.365 11.428 ( -5.026 -0.421 0.217) 5.049 11.428 ( -5.026 0.421 0.217) 5.049 11.567 ( -5.348 -1.785 -0.320) 5.647 11.567 ( -5.348 1.785 -0.320) 5.647 11.920 ( -8.038 -6.331 -0.015) 10.232 11.920 ( -8.038 6.331 -0.015) 10.232 12.043 ( -10.501 -7.013 0.118) 12.628 12.043 ( -10.501 7.013 0.118) 12.628 12.789 ( 0.260 -0.479 0.417) 0.687 12.789 ( 0.260 0.479 0.417) 0.687 12.853 ( 2.018 -0.484 -0.557) 2.149 12.853 ( 2.018 0.484 -0.557) 2.149 14.045 ( -13.739 -10.177 0.352) 17.102 14.045 ( -13.739 10.177 0.352) 17.102 14.082 ( -12.402 -9.628 -0.206) 15.702 14.082 ( -12.402 9.628 -0.206) 15.702 14.449 ( -4.556 -0.312 1.615) 4.844 14.449 ( -4.556 0.312 1.615) 4.844 14.536 ( -3.703 -1.972 -2.340) 4.804 14.536 ( -3.703 1.972 -2.340) 4.804 15.990 ( -8.717 -2.862 -0.653) 9.198 15.990 ( -8.717 2.862 -0.653) 9.198 16.024 ( -9.342 -1.332 0.472) 9.449 16.024 ( -9.342 1.332 0.472) 9.449 17.074 ( 16.853 -4.496 0.707) 17.457 17.074 ( 16.853 4.496 0.707) 17.457 17.160 ( 18.732 -3.556 -1.486) 19.124 17.160 ( 18.732 3.556 -1.486) 19.124 18.043 ( 2.679 -13.226 0.833) 13.521 18.043 ( 2.679 13.226 0.833) 13.521 18.103 ( 0.071 -12.962 -0.325) 12.967 18.103 ( 0.071 12.962 -0.325) 12.967 18.853 ( 6.390 -7.509 -0.447) 9.870 18.853 ( 6.390 7.509 -0.447) 9.870 18.879 ( 6.851 -6.451 0.336) 9.416 18.879 ( 6.851 6.451 0.336) 9.416 19.590 ( 1.423 -0.869 -0.079) 1.669 19.590 ( 1.423 0.869 -0.079) 1.669 19.925 ( -2.501 -4.805 -0.086) 5.417 19.925 ( -2.501 4.805 -0.086) 5.417 20.016 ( -0.762 -4.806 0.018) 4.866 20.016 ( -0.762 4.806 0.018) 4.866 20.212 ( 2.530 -0.582 -0.194) 2.603 20.212 ( 2.530 0.582 -0.194) 2.603 20.436 ( -2.902 -2.299 0.144) 3.705 20.436 ( -2.902 2.299 0.144) 3.705 21.016 ( -11.084 -6.522 -0.933) 12.894 21.016 ( -11.084 6.522 -0.933) 12.894 21.159 ( -20.584 -15.978 0.782) 26.069 21.159 ( -20.584 15.978 0.782) 26.069 21.249 ( -13.078 -5.870 0.458) 14.343 21.249 ( -13.078 5.870 0.458) 14.343 21.733 ( -6.425 -0.715 -1.059) 6.551 21.733 ( -6.425 0.715 -1.059) 6.551 21.768 ( -7.722 -0.988 0.724) 7.819 21.768 ( -7.722 0.988 0.724) 7.819 22.066 ( -2.033 -2.887 0.658) 3.592 22.066 ( -2.033 2.887 0.658) 3.592 22.111 ( -2.128 -2.821 -0.405) 3.557 22.111 ( -2.128 2.821 -0.405) 3.557 25.513 ( 8.797 -16.821 0.601) 18.992 25.513 ( 8.797 16.821 0.601) 18.992 25.552 ( 7.863 -17.307 -0.217) 19.011 25.552 ( 7.863 17.307 -0.217) 19.011 26.450 ( 6.179 -4.490 -1.458) 7.776 26.450 ( 6.179 4.490 -1.458) 7.776 26.498 ( 8.082 -4.398 1.238) 9.284 26.498 ( 8.082 4.398 1.238) 9.284 26.928 ( -1.423 -3.390 0.039) 3.677 26.928 ( -1.423 3.390 0.039) 3.677 27.047 ( -0.271 -4.747 0.321) 4.765 27.047 ( -0.271 4.747 0.321) 4.765 27.892 ( 2.320 -11.493 0.225) 11.727 27.892 ( 2.320 11.493 0.225) 11.727 28.077 ( 2.502 -13.865 -0.178) 14.090 28.077 ( 2.502 13.865 -0.178) 14.090 28.958 ( 9.695 -4.636 0.992) 10.792 28.958 ( 9.695 4.636 0.992) 10.792 29.108 ( 8.164 -4.996 -1.047) 9.628 29.108 ( 8.164 4.996 -1.047) 9.628 30.187 ( 15.458 -6.799 1.944) 16.999 30.187 ( 15.458 6.799 1.944) 16.999 30.516 ( 11.813 -11.410 -5.009) 17.170 30.516 ( 11.813 11.410 -5.009) 17.170 31.425 ( -15.806 -0.822 -0.073) 15.827 31.425 ( -15.806 0.822 -0.073) 15.827 31.536 ( -16.033 -4.297 1.484) 16.665 31.536 ( -16.033 4.297 1.484) 16.665 32.809 ( 2.937 -4.688 2.770) 6.187 32.809 ( 2.937 4.688 2.770) 6.187 32.943 ( 0.144 -4.722 -2.152) 5.191 32.943 ( 0.144 4.722 -2.152) 5.191 33.745 ( -3.072 -4.716 -0.501) 5.650 33.745 ( -3.072 4.716 -0.501) 5.650 34.068 ( -5.574 -4.246 0.840) 7.057 34.068 ( -5.574 4.246 0.840) 7.057 37.045 ( 9.010 -4.192 0.168) 9.938 37.045 ( 9.010 4.192 0.168) 9.938 37.294 ( 5.656 -6.225 0.224) 8.414 37.294 ( 5.656 6.225 0.224) 8.414 39.059 ( -5.230 -3.653 -0.549) 6.403 39.059 ( -5.230 3.653 -0.549) 6.403 39.591 ( 1.060 -4.009 0.400) 4.166 39.591 ( 1.060 4.009 0.400) 4.166 40.211 ( 2.898 -5.188 -2.216) 6.342 40.211 ( 2.898 5.188 -2.216) 6.342 40.510 ( 0.439 -5.635 3.653) 6.730 40.510 ( 0.439 5.635 3.653) 6.730 40.734 ( 1.285 -4.913 2.048) 5.476 40.734 ( 1.285 4.913 2.048) 5.476 41.169 ( 1.168 -7.894 -8.563) 11.705 41.169 ( 1.168 7.894 -8.563) 11.705 41.991 ( -1.999 -8.631 10.370) 13.639 41.991 ( -1.999 8.631 10.370) 13.639 42.502 ( -7.429 -11.780 -3.534) 14.368 42.502 ( -7.429 11.780 -3.534) 14.368 43.346 ( 8.566 -6.250 0.724) 10.629 43.346 ( 8.566 6.250 0.724) 10.629 43.622 ( 6.963 -6.814 -1.225) 9.819 43.622 ( 6.963 6.814 -1.225) 9.819 ======================= Grid point 76 (41/60) ======================= q-point: ( 0.43 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 7.555 -4.399 1.651) 8.897 1.945 ( 7.555 4.399 1.651) 8.897 2.139 ( -0.051 -10.469 -1.251) 10.544 2.139 ( -0.051 10.469 -1.251) 10.544 2.262 ( 1.535 -6.736 -2.175) 7.243 2.262 ( 1.535 6.736 -2.175) 7.243 2.557 ( 2.269 -2.167 -2.179) 3.820 2.557 ( 2.269 2.167 -2.179) 3.820 2.786 ( -3.773 -3.488 9.444) 10.752 2.786 ( -3.773 3.488 9.444) 10.752 3.022 ( 4.192 -4.440 -0.902) 6.172 3.022 ( 4.192 4.440 -0.902) 6.172 3.142 ( 5.574 -6.192 -1.921) 8.550 3.142 ( 5.574 6.192 -1.921) 8.550 3.285 ( -1.781 -1.480 -3.319) 4.047 3.285 ( -1.781 1.480 -3.319) 4.047 3.502 ( 5.431 -3.484 -0.173) 6.455 3.502 ( 5.431 3.484 -0.173) 6.455 3.725 ( 1.353 -4.126 2.247) 4.889 3.725 ( 1.353 4.126 2.247) 4.889 3.837 ( 1.279 -3.419 4.403) 5.720 3.837 ( 1.279 3.419 4.403) 5.720 3.888 ( 2.573 -1.601 -0.768) 3.126 3.888 ( 2.573 1.601 -0.768) 3.126 4.063 ( -0.251 -2.974 -2.003) 3.595 4.063 ( -0.251 2.974 -2.003) 3.595 4.228 ( -0.833 -0.410 -0.773) 1.208 4.228 ( -0.833 0.410 -0.773) 1.208 4.287 ( -1.726 -0.943 4.447) 4.863 4.287 ( -1.726 0.943 4.447) 4.863 4.463 ( 0.579 -5.105 -3.176) 6.040 4.463 ( 0.579 5.105 -3.176) 6.040 4.568 ( 0.586 -2.436 -1.017) 2.704 4.568 ( 0.586 2.436 -1.017) 2.704 4.663 ( 0.854 -2.263 -1.647) 2.926 4.663 ( 0.854 2.263 -1.647) 2.926 4.968 ( -1.478 -1.929 -0.387) 2.461 4.968 ( -1.478 1.929 -0.387) 2.461 5.161 ( 0.686 -1.892 -1.163) 2.324 5.161 ( 0.686 1.892 -1.163) 2.324 5.295 ( -1.859 -3.474 1.495) 4.214 5.295 ( -1.859 3.474 1.495) 4.214 5.519 ( -2.862 -3.126 1.077) 4.373 5.519 ( -2.862 3.126 1.077) 4.373 6.075 ( 4.395 -4.702 3.835) 7.493 6.075 ( 4.395 4.702 3.835) 7.493 6.266 ( 3.684 -6.081 -3.197) 7.795 6.266 ( 3.684 6.081 -3.197) 7.795 6.668 ( 4.318 -4.298 -0.272) 6.099 6.668 ( 4.318 4.298 -0.272) 6.099 6.787 ( -1.159 -2.388 -2.051) 3.355 6.787 ( -1.159 2.388 -2.051) 3.355 6.998 ( -2.518 -8.860 0.452) 9.222 6.998 ( -2.518 8.860 0.452) 9.222 7.185 ( -1.950 -6.727 -2.650) 7.488 7.185 ( -1.950 6.727 -2.650) 7.488 7.960 ( 12.916 -1.458 -0.857) 13.026 7.960 ( 12.916 1.458 -0.857) 13.026 8.010 ( 18.634 -3.212 2.244) 19.042 8.010 ( 18.634 3.212 2.244) 19.042 8.469 ( 1.307 -1.483 1.149) 2.287 8.469 ( 1.307 1.483 1.149) 2.287 8.628 ( 2.367 -4.109 0.691) 4.792 8.628 ( 2.367 4.109 0.691) 4.792 9.457 ( -0.935 -2.283 0.503) 2.518 9.457 ( -0.935 2.283 0.503) 2.518 9.495 ( -2.974 -0.258 -0.228) 2.994 9.495 ( -2.974 0.259 -0.228) 2.994 10.354 ( -0.512 -1.782 -0.620) 1.955 10.354 ( -0.512 1.782 -0.620) 1.955 10.425 ( 3.244 -0.977 0.498) 3.424 10.425 ( 3.244 0.977 0.498) 3.424 11.327 ( -2.879 -2.045 0.146) 3.534 11.327 ( -2.879 2.045 0.146) 3.534 11.422 ( -6.750 -2.395 -0.155) 7.164 11.422 ( -6.750 2.395 -0.155) 7.164 11.787 ( -3.321 -2.588 -0.644) 4.259 11.787 ( -3.321 2.588 -0.644) 4.259 11.850 ( -5.622 -3.560 0.646) 6.686 11.850 ( -5.622 3.560 0.646) 6.686 12.794 ( 0.308 -0.970 0.260) 1.051 12.794 ( 0.308 0.970 0.260) 1.051 12.874 ( 0.011 -1.204 -0.404) 1.270 12.874 ( 0.011 1.204 -0.404) 1.270 13.805 ( -6.238 -9.569 0.146) 11.424 13.805 ( -6.238 9.569 0.146) 11.424 13.853 ( -7.018 -8.849 -0.321) 11.299 13.853 ( -7.018 8.849 -0.321) 11.299 14.395 ( -1.233 -0.477 1.745) 2.190 14.395 ( -1.233 0.477 1.745) 2.190 14.489 ( -0.755 -1.246 -2.146) 2.593 14.489 ( -0.755 1.246 -2.146) 2.593 15.847 ( -3.879 -1.378 0.551) 4.153 15.847 ( -3.879 1.378 0.551) 4.153 15.875 ( -3.635 -1.989 -0.609) 4.188 15.875 ( -3.635 1.989 -0.609) 4.188 17.358 ( 7.883 -10.706 0.855) 13.323 17.358 ( 7.883 10.706 0.855) 13.323 17.457 ( 6.594 -7.676 -1.316) 10.205 17.457 ( 6.594 7.676 -1.316) 10.205 18.113 ( 1.136 -1.763 0.534) 2.164 18.113 ( 1.136 1.763 0.534) 2.164 18.130 ( 3.623 -1.529 -0.426) 3.955 18.130 ( 3.623 1.529 -0.426) 3.955 19.014 ( 6.995 -4.840 0.174) 8.508 19.014 ( 6.995 4.840 0.174) 8.508 19.057 ( 8.442 -4.127 -0.128) 9.397 19.057 ( 8.442 4.127 -0.128) 9.397 19.617 ( 0.624 -1.372 -0.348) 1.547 19.617 ( 0.624 1.372 -0.348) 1.547 19.818 ( -6.175 -3.184 0.890) 7.005 19.818 ( -6.175 3.184 0.890) 7.005 19.935 ( -6.300 -2.537 -0.862) 6.846 19.935 ( -6.300 2.537 -0.862) 6.846 20.224 ( -1.326 -2.193 -0.942) 2.731 20.224 ( -1.326 2.193 -0.942) 2.731 20.374 ( -1.594 -9.052 1.629) 9.334 20.374 ( -1.594 9.052 1.629) 9.334 20.683 ( -10.248 -10.175 -1.641) 14.534 20.683 ( -10.248 10.175 -1.641) 14.534 20.776 ( -10.201 -13.030 1.125) 16.586 20.776 ( -10.201 13.030 1.125) 16.586 21.170 ( -0.178 -0.902 0.101) 0.925 21.170 ( -0.178 0.902 0.101) 0.925 21.658 ( -1.332 -0.625 0.070) 1.473 21.658 ( -1.332 0.625 0.070) 1.473 21.683 ( -1.552 -1.139 -0.208) 1.936 21.683 ( -1.552 1.139 -0.208) 1.936 22.052 ( -0.129 -2.137 0.560) 2.213 22.052 ( -0.129 2.137 0.560) 2.213 22.094 ( -0.174 -1.835 -0.445) 1.896 22.094 ( -0.174 1.835 -0.445) 1.896 25.634 ( 2.652 -14.239 0.019) 14.484 25.634 ( 2.652 14.239 0.019) 14.484 25.655 ( 2.268 -14.276 0.516) 14.464 25.655 ( 2.268 14.276 0.516) 14.464 26.554 ( 3.221 -3.766 -0.490) 4.980 26.554 ( 3.221 3.766 -0.490) 4.980 26.627 ( 2.650 -5.603 -0.445) 6.214 26.627 ( 2.650 5.603 -0.445) 6.214 26.906 ( 0.073 -2.888 1.560) 3.283 26.906 ( 0.073 2.888 1.560) 3.283 27.025 ( -1.472 -3.350 -1.273) 3.875 27.025 ( -1.472 3.350 -1.273) 3.875 27.929 ( 0.928 -11.562 1.212) 11.662 27.929 ( 0.928 11.562 1.212) 11.662 28.118 ( 1.152 -13.218 -0.582) 13.281 28.118 ( 1.152 13.218 -0.582) 13.281 29.125 ( 4.657 -2.455 1.191) 5.397 29.125 ( 4.657 2.455 1.191) 5.397 29.230 ( 3.160 -2.904 -1.376) 4.507 29.230 ( 3.160 2.904 -1.376) 4.507 30.565 ( 18.524 -7.269 0.748) 19.913 30.565 ( 18.524 7.269 0.748) 19.913 30.767 ( 9.093 -7.950 -1.097) 12.128 30.767 ( 9.093 7.950 -1.097) 12.128 31.080 ( -14.501 -4.979 -0.483) 15.340 31.080 ( -14.501 4.979 -0.483) 15.340 31.180 ( -14.900 -4.219 0.736) 15.504 31.180 ( -14.900 4.219 0.736) 15.504 32.854 ( 0.922 -4.871 1.576) 5.202 32.854 ( 0.922 4.871 1.576) 5.202 32.946 ( 0.305 -4.989 -1.754) 5.298 32.946 ( 0.305 4.989 -1.754) 5.298 33.699 ( -1.268 -4.142 -1.537) 4.596 33.699 ( -1.268 4.142 -1.537) 4.596 33.987 ( -1.994 -3.625 1.789) 4.508 33.987 ( -1.994 3.625 1.789) 4.508 37.199 ( 4.443 -4.781 0.468) 6.544 37.199 ( 4.443 4.781 0.468) 6.544 37.376 ( 1.735 -4.984 -0.185) 5.281 37.376 ( 1.735 4.984 -0.185) 5.281 38.982 ( -1.817 -2.846 -0.338) 3.394 38.982 ( -1.817 2.846 -0.338) 3.394 39.599 ( -0.035 -2.852 -0.493) 2.894 39.599 ( -0.035 2.852 -0.493) 2.894 40.254 ( 0.880 -3.594 -0.488) 3.732 40.254 ( 0.880 3.594 -0.488) 3.732 40.523 ( 0.633 -2.831 2.043) 3.548 40.523 ( 0.633 2.831 2.043) 3.548 40.759 ( 0.718 -9.502 2.978) 9.984 40.759 ( 0.718 9.502 2.978) 9.984 41.163 ( -0.553 -8.340 -9.990) 13.025 41.163 ( -0.553 8.340 -9.990) 13.025 41.988 ( 0.392 -5.478 9.756) 11.195 41.988 ( 0.392 5.478 9.756) 11.195 42.383 ( -3.131 -15.580 -2.970) 16.167 42.383 ( -3.131 15.580 -2.970) 16.167 43.472 ( 2.757 -6.214 1.676) 7.002 43.472 ( 2.757 6.214 1.676) 7.002 43.727 ( 2.925 -6.737 -2.113) 7.643 43.727 ( 2.925 6.737 -2.113) 7.643 ======================= Grid point 78 (42/60) ======================= q-point: (-0.43 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( -5.396 -8.719 2.526) 10.560 1.976 ( -5.396 8.719 2.526) 10.560 2.133 ( 0.964 -0.899 -3.625) 3.857 2.133 ( 0.964 0.899 -3.625) 3.857 2.295 ( 0.072 -7.268 -0.021) 7.269 2.295 ( 0.072 7.268 -0.021) 7.269 2.575 ( -2.374 -2.499 -6.157) 7.057 2.575 ( -2.374 2.499 -6.157) 7.057 2.695 ( -2.374 -2.613 10.764) 11.328 2.695 ( -2.374 2.613 10.764) 11.328 3.048 ( -0.492 -4.303 0.178) 4.335 3.048 ( -0.492 4.303 0.178) 4.335 3.128 ( -8.295 -4.317 0.061) 9.351 3.128 ( -8.295 4.317 0.061) 9.351 3.260 ( 1.557 -5.401 -3.451) 6.596 3.260 ( 1.557 5.401 -3.451) 6.596 3.504 ( -4.711 -6.161 -1.166) 7.843 3.504 ( -4.711 6.161 -1.166) 7.843 3.748 ( -1.627 -2.342 2.311) 3.671 3.748 ( -1.627 2.342 2.311) 3.671 3.866 ( -1.734 -3.086 4.817) 5.978 3.866 ( -1.734 3.086 4.817) 5.978 3.926 ( -0.221 -5.095 -2.320) 5.603 3.926 ( -0.221 5.095 -2.320) 5.603 4.061 ( 1.941 -2.024 2.368) 3.671 4.061 ( 1.941 2.024 2.368) 3.671 4.135 ( -5.559 -3.979 -1.687) 7.041 4.135 ( -5.559 3.979 -1.687) 7.041 4.294 ( 2.677 -2.475 0.852) 3.744 4.294 ( 2.677 2.475 0.852) 3.744 4.412 ( -3.335 -3.395 -2.437) 5.346 4.412 ( -3.335 3.395 -2.437) 5.346 4.631 ( 1.619 -2.334 0.534) 2.890 4.631 ( 1.619 2.334 0.534) 2.890 4.661 ( 0.669 -3.167 -2.170) 3.897 4.661 ( 0.669 3.167 -2.170) 3.897 4.996 ( 3.606 -4.050 -0.174) 5.426 4.996 ( 3.606 4.050 -0.174) 5.426 5.114 ( -0.263 -2.085 -2.886) 3.571 5.114 ( -0.263 2.085 -2.886) 3.571 5.333 ( -0.321 -3.939 2.514) 4.684 5.333 ( -0.321 3.939 2.514) 4.684 5.520 ( 4.153 -2.467 1.481) 5.053 5.520 ( 4.153 2.467 1.481) 5.053 6.117 ( -1.686 -4.367 4.249) 6.322 6.117 ( -1.686 4.367 4.249) 6.322 6.251 ( -4.946 -5.283 -3.865) 8.204 6.251 ( -4.946 5.283 -3.865) 8.204 6.630 ( -6.708 -2.073 -0.541) 7.042 6.630 ( -6.708 2.073 -0.541) 7.042 6.813 ( 4.061 -5.066 -2.807) 7.074 6.813 ( 4.061 5.066 -2.807) 7.074 7.014 ( 1.666 -7.469 2.634) 8.094 7.014 ( 1.666 7.469 2.634) 8.094 7.156 ( 1.410 -7.488 -3.965) 8.589 7.156 ( 1.410 7.488 -3.965) 8.589 7.928 ( -15.680 -4.685 0.114) 16.366 7.928 ( -15.680 4.685 0.114) 16.366 8.034 ( -15.204 -4.350 1.292) 15.867 8.034 ( -15.204 4.350 1.292) 15.867 8.546 ( -0.561 -2.842 3.069) 4.220 8.546 ( -0.561 2.842 3.069) 4.220 8.559 ( -4.152 -1.278 -1.233) 4.516 8.559 ( -4.152 1.278 -1.233) 4.516 9.450 ( 0.742 -0.640 0.395) 1.056 9.450 ( 0.742 0.640 0.395) 1.056 9.500 ( 2.867 -0.521 -0.119) 2.917 9.500 ( 2.867 0.521 -0.119) 2.917 10.323 ( -1.708 -1.919 -0.372) 2.596 10.323 ( -1.708 1.919 -0.372) 2.596 10.453 ( -1.097 -2.025 0.249) 2.316 10.453 ( -1.097 2.025 0.249) 2.316 11.332 ( 3.127 -0.821 0.152) 3.236 11.332 ( 3.127 0.821 0.152) 3.236 11.415 ( 6.258 -2.309 -0.164) 6.672 11.415 ( 6.258 2.309 -0.164) 6.672 11.799 ( 4.673 -12.459 -0.979) 13.343 11.799 ( 4.673 12.459 -0.979) 13.343 11.841 ( 4.631 -11.607 0.983) 12.536 11.841 ( 4.631 11.607 0.983) 12.536 12.802 ( 0.058 -1.317 0.347) 1.363 12.802 ( 0.058 1.317 0.347) 1.363 12.865 ( -0.400 -1.719 -0.491) 1.832 12.865 ( -0.400 1.719 -0.491) 1.832 13.820 ( 6.977 -12.471 0.531) 14.300 13.820 ( 6.977 12.471 0.531) 14.300 13.837 ( 6.194 -11.803 -0.705) 13.348 13.837 ( 6.194 11.803 -0.705) 13.348 14.393 ( 0.846 -0.794 1.594) 1.971 14.393 ( 0.846 0.794 1.594) 1.971 14.495 ( 1.534 -1.083 -1.996) 2.740 14.495 ( 1.534 1.083 -1.996) 2.740 15.843 ( 3.556 -2.742 0.454) 4.513 15.843 ( 3.556 2.742 0.454) 4.513 15.876 ( 3.791 -3.223 -0.511) 5.002 15.876 ( 3.791 3.223 -0.511) 5.002 17.370 ( -7.581 -5.667 1.183) 9.539 17.370 ( -7.581 5.667 1.183) 9.539 17.444 ( -6.899 -6.544 -1.642) 9.649 17.444 ( -6.899 6.544 -1.642) 9.649 18.095 ( -2.648 -11.135 0.198) 11.447 18.095 ( -2.648 11.135 0.198) 11.447 18.150 ( -2.028 -10.638 -0.092) 10.830 18.150 ( -2.028 10.638 -0.092) 10.830 19.006 ( -7.713 -5.610 0.131) 9.539 19.006 ( -7.713 5.610 0.131) 9.539 19.064 ( -7.814 -4.713 -0.085) 9.126 19.064 ( -7.814 4.713 -0.085) 9.126 19.614 ( -0.391 -1.253 -0.332) 1.354 19.614 ( -0.391 1.253 -0.332) 1.354 19.838 ( 5.992 -3.066 1.321) 6.859 19.838 ( 5.992 3.066 1.321) 6.859 19.912 ( 6.343 -2.577 -1.296) 6.968 19.912 ( 6.343 2.577 -1.296) 6.968 20.229 ( 0.762 -2.943 -0.963) 3.189 20.229 ( 0.762 2.943 -0.963) 3.189 20.379 ( 2.249 -6.978 1.659) 7.517 20.379 ( 2.249 6.978 1.659) 7.517 20.677 ( 10.286 -6.276 -1.574) 12.151 20.677 ( 10.286 6.276 -1.574) 12.151 20.780 ( 10.332 -2.995 1.039) 10.807 20.780 ( 10.332 2.995 1.039) 10.807 21.169 ( -0.005 -0.289 0.096) 0.304 21.169 ( -0.005 0.289 0.096) 0.304 21.662 ( 1.541 -0.810 0.150) 1.747 21.662 ( 1.541 0.810 0.150) 1.747 21.678 ( 1.307 -1.024 -0.287) 1.685 21.678 ( 1.307 1.024 -0.287) 1.685 22.053 ( 0.139 -1.420 0.573) 1.538 22.053 ( 0.139 1.420 0.573) 1.538 22.093 ( 0.089 -1.296 -0.458) 1.378 22.093 ( 0.089 1.296 -0.458) 1.378 25.634 ( -2.550 -5.436 0.012) 6.005 25.634 ( -2.550 5.436 0.012) 6.005 25.660 ( -1.888 -4.211 0.527) 4.645 25.660 ( -1.888 4.211 0.527) 4.645 26.562 ( -3.498 -3.613 -0.506) 5.054 26.562 ( -3.498 3.613 -0.506) 5.054 26.604 ( -3.393 -3.684 -0.377) 5.022 26.604 ( -3.393 3.684 -0.377) 5.022 26.939 ( 2.158 -2.524 2.752) 4.313 26.939 ( 2.158 2.524 2.752) 4.313 26.997 ( -0.676 -2.752 -2.520) 3.792 26.997 ( -0.676 2.752 -2.520) 3.792 27.933 ( -0.690 -8.167 1.230) 8.288 27.933 ( -0.690 8.167 1.230) 8.288 28.120 ( -0.955 -9.513 -0.601) 9.580 28.120 ( -0.955 9.513 -0.601) 9.580 29.120 ( -5.318 -0.231 1.060) 5.428 29.120 ( -5.318 0.231 1.060) 5.428 29.235 ( -2.481 -4.666 -1.245) 5.429 29.235 ( -2.481 4.666 -1.245) 5.429 30.570 ( -17.966 -6.895 0.808) 19.261 30.570 ( -17.966 6.895 0.808) 19.261 30.762 ( -10.295 -4.936 -1.164) 11.477 30.762 ( -10.295 4.936 -1.164) 11.477 31.065 ( 16.998 -5.086 -0.299) 17.745 31.065 ( 16.998 5.086 -0.299) 17.745 31.204 ( 13.969 -7.983 0.556) 16.099 31.204 ( 13.969 7.983 0.556) 16.099 32.849 ( -1.480 -4.425 1.464) 4.890 32.849 ( -1.480 4.425 1.464) 4.890 32.948 ( -0.046 -4.741 -1.647) 5.019 32.948 ( -0.046 4.741 -1.647) 5.019 33.689 ( 0.678 -2.409 -1.460) 2.898 33.689 ( 0.678 2.409 -1.460) 2.898 33.989 ( 2.007 -1.632 1.718) 3.105 33.989 ( 2.007 1.632 1.718) 3.105 37.205 ( -4.024 -4.211 0.486) 5.845 37.205 ( -4.024 4.211 0.486) 5.845 37.373 ( -1.814 -4.002 -0.203) 4.399 37.373 ( -1.814 4.002 -0.203) 4.399 38.980 ( 1.625 -0.913 -0.339) 1.895 38.980 ( 1.625 0.913 -0.339) 1.895 39.595 ( -0.188 -2.113 -0.492) 2.178 39.595 ( -0.188 2.113 -0.492) 2.178 40.239 ( -2.004 -2.920 -0.365) 3.561 40.239 ( -2.004 2.920 -0.365) 3.561 40.545 ( 0.749 -0.932 1.848) 2.201 40.545 ( 0.749 0.932 1.848) 2.201 40.773 ( 0.296 -11.630 3.792) 12.236 40.773 ( 0.296 11.630 3.792) 12.236 41.127 ( -1.497 -6.496 -10.351) 12.312 41.127 ( -1.497 6.496 -10.351) 12.312 42.028 ( 2.258 -0.624 10.230) 10.495 42.028 ( 2.258 0.624 10.230) 10.495 42.360 ( 1.170 -15.759 -3.823) 16.259 42.360 ( 1.170 15.759 -3.823) 16.259 43.463 ( -3.726 -5.968 1.541) 7.203 43.463 ( -3.726 5.968 1.541) 7.203 43.735 ( -2.020 -7.826 -1.980) 8.321 43.735 ( -2.020 7.826 -1.980) 8.321 ======================= Grid point 80 (43/60) ======================= q-point: (-0.29 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( -16.035 -5.657 4.603) 17.616 1.741 ( -16.035 5.657 4.603) 17.616 2.078 ( -7.494 -4.159 -2.824) 9.024 2.078 ( -7.494 4.159 -2.824) 9.024 2.270 ( -1.867 -8.195 -0.143) 8.406 2.270 ( -1.867 8.195 -0.143) 8.406 2.465 ( -6.725 -14.579 -9.379) 18.594 2.465 ( -6.725 14.579 -9.379) 18.594 2.694 ( -1.604 -3.014 1.508) 3.732 2.694 ( -1.604 3.014 1.508) 3.732 2.916 ( -5.623 -5.495 3.023) 8.424 2.916 ( -5.623 5.495 3.023) 8.424 3.080 ( -0.068 -10.096 2.199) 10.332 3.080 ( -0.068 10.096 2.199) 10.332 3.244 ( -3.906 -2.774 3.864) 6.155 3.244 ( -3.906 2.774 3.864) 6.155 3.354 ( -7.472 -3.091 0.806) 8.126 3.354 ( -7.472 3.091 0.806) 8.126 3.687 ( -7.949 -2.189 2.847) 8.723 3.687 ( -7.949 2.189 2.847) 8.723 3.735 ( -1.862 -0.484 2.244) 2.956 3.735 ( -1.862 0.484 2.244) 2.956 3.896 ( -3.787 -1.127 -2.756) 4.817 3.896 ( -3.787 1.127 -2.756) 4.817 4.076 ( 0.614 -1.234 -3.121) 3.412 4.076 ( 0.614 1.234 -3.121) 3.412 4.093 ( -0.921 -2.324 2.179) 3.316 4.093 ( -0.921 2.324 2.179) 3.316 4.305 ( -2.188 -2.986 0.813) 3.790 4.305 ( -2.188 2.986 0.813) 3.790 4.390 ( 0.284 -1.782 -3.517) 3.953 4.390 ( 0.284 1.782 -3.517) 3.953 4.581 ( -2.438 -0.513 -0.352) 2.516 4.581 ( -2.438 0.513 -0.352) 2.516 4.691 ( -0.637 -4.070 0.142) 4.122 4.691 ( -0.637 4.070 0.142) 4.122 4.965 ( -6.346 -1.642 1.208) 6.666 4.965 ( -6.346 1.642 1.208) 6.666 5.146 ( -2.348 -3.180 -0.848) 4.043 5.146 ( -2.348 3.180 -0.848) 4.043 5.389 ( 10.004 -2.351 -2.297) 10.530 5.389 ( 10.004 2.351 -2.297) 10.530 5.641 ( 4.366 -1.309 1.323) 4.746 5.641 ( 4.366 1.309 1.323) 4.746 6.002 ( -7.983 -4.285 3.323) 9.650 6.002 ( -7.983 4.285 3.323) 9.650 6.071 ( -10.153 -4.444 -5.262) 12.269 6.071 ( -10.153 4.444 -5.262) 12.269 6.520 ( -2.878 -2.796 0.164) 4.016 6.520 ( -2.878 2.796 0.164) 4.016 6.865 ( -2.470 -2.309 2.716) 4.337 6.865 ( -2.470 2.309 2.716) 4.337 6.976 ( -6.291 -8.928 -0.361) 10.927 6.976 ( -6.291 8.928 -0.361) 10.927 7.145 ( -7.954 -2.884 -1.944) 8.681 7.145 ( -7.954 2.884 -1.944) 8.681 7.538 ( -10.434 -6.640 0.786) 12.393 7.538 ( -10.434 6.640 0.786) 12.393 7.645 ( -10.660 -2.500 -1.921) 11.116 7.645 ( -10.660 2.500 -1.921) 11.116 8.447 ( -3.991 -0.514 1.028) 4.153 8.447 ( -3.991 0.514 1.028) 4.153 8.563 ( 0.341 -1.453 1.233) 1.935 8.563 ( 0.341 1.453 1.233) 1.935 9.478 ( 1.255 -1.250 0.523) 1.846 9.478 ( 1.255 1.250 0.523) 1.846 9.547 ( 1.177 -2.316 -0.529) 2.651 9.547 ( 1.177 2.316 -0.529) 2.651 10.278 ( -2.529 -1.832 -0.596) 3.180 10.278 ( -2.529 1.832 -0.596) 3.180 10.385 ( -4.698 -2.595 0.618) 5.403 10.385 ( -4.698 2.595 0.618) 5.403 11.436 ( 5.064 -4.530 0.240) 6.799 11.436 ( 5.064 4.530 0.240) 6.799 11.552 ( 5.313 -1.914 -0.337) 5.657 11.552 ( 5.313 1.914 -0.337) 5.657 11.940 ( 7.537 -13.481 -0.047) 15.445 11.940 ( 7.537 13.481 -0.047) 15.445 12.032 ( 11.063 -11.476 0.142) 15.941 12.032 ( 11.063 11.476 0.142) 15.941 12.789 ( -1.167 -1.042 0.426) 1.621 12.789 ( -1.167 1.042 0.426) 1.621 12.852 ( -1.146 -1.330 -0.564) 1.844 12.852 ( -1.146 1.330 -0.564) 1.844 14.054 ( 12.868 -7.792 0.815) 15.065 14.054 ( 12.868 7.792 0.815) 15.065 14.069 ( 13.112 -8.010 -0.670) 15.379 14.069 ( 13.112 8.010 -0.670) 15.379 14.441 ( 3.912 -1.189 1.130) 4.242 14.441 ( 3.912 1.189 1.130) 4.242 14.554 ( 4.497 -1.152 -1.855) 4.999 14.554 ( 4.497 1.152 -1.855) 4.999 15.987 ( 8.913 -5.463 -0.565) 10.469 15.987 ( 8.913 5.463 -0.565) 10.469 16.026 ( 9.440 -6.673 0.386) 11.567 16.026 ( 9.440 6.673 0.386) 11.567 17.081 ( -17.268 -4.531 0.909) 17.876 17.081 ( -17.268 4.531 0.909) 17.876 17.152 ( -18.256 -4.544 -1.694) 18.889 17.152 ( -18.256 4.544 -1.694) 18.889 18.049 ( -1.440 -8.892 0.983) 9.061 18.049 ( -1.440 8.892 0.983) 9.061 18.097 ( -1.620 -10.658 -0.472) 10.790 18.097 ( -1.620 10.658 -0.472) 10.791 18.839 ( -6.219 -9.627 -0.241) 11.464 18.839 ( -6.219 9.627 -0.241) 11.464 18.892 ( -6.880 -7.959 0.132) 10.521 18.892 ( -6.880 7.959 0.132) 10.521 19.591 ( -1.368 -0.646 -0.081) 1.515 19.591 ( -1.368 0.646 -0.081) 1.515 19.928 ( 2.187 -4.300 -0.082) 4.825 19.928 ( 2.187 4.300 -0.082) 4.825 20.017 ( 1.145 -3.588 0.020) 3.766 20.017 ( 1.145 3.588 0.020) 3.766 20.202 ( -2.382 -1.734 -0.183) 2.951 20.202 ( -2.382 1.734 -0.183) 2.951 20.445 ( 2.588 -0.489 0.124) 2.636 20.445 ( 2.588 0.489 0.124) 2.636 21.015 ( 11.473 -5.367 -0.922) 12.699 21.015 ( 11.473 5.367 -0.922) 12.699 21.173 ( 21.243 -3.925 0.816) 21.618 21.173 ( 21.243 3.925 0.816) 21.618 21.240 ( 12.559 -0.715 0.417) 12.587 21.240 ( 12.559 0.715 0.417) 12.587 21.727 ( 5.553 -0.879 -0.955) 5.703 21.727 ( 5.553 0.879 -0.955) 5.703 21.768 ( 8.104 -0.885 0.621) 8.176 21.768 ( 8.104 0.885 0.621) 8.176 22.073 ( 2.619 -1.752 0.980) 3.300 22.073 ( 2.619 1.752 0.980) 3.300 22.101 ( 1.323 -1.766 -0.731) 2.324 22.101 ( 1.323 1.766 -0.731) 2.324 25.519 ( -8.493 -6.722 0.442) 10.840 25.519 ( -8.493 6.722 0.442) 10.840 25.564 ( -7.686 -4.946 -0.046) 9.140 25.564 ( -7.686 4.946 -0.046) 9.140 26.424 ( -7.684 -4.563 -0.942) 8.986 26.424 ( -7.684 4.563 -0.942) 8.986 26.498 ( -6.660 -5.363 0.709) 8.580 26.498 ( -6.660 5.363 0.709) 8.580 26.963 ( -0.818 -0.874 -0.209) 1.215 26.963 ( -0.818 0.874 -0.209) 1.215 27.011 ( 2.270 -2.128 0.561) 3.162 27.011 ( 2.270 2.128 0.561) 3.162 27.901 ( -2.321 -4.817 0.274) 5.354 27.901 ( -2.321 4.817 0.274) 5.354 28.079 ( -2.493 -5.093 -0.219) 5.674 28.079 ( -2.493 5.093 -0.219) 5.674 28.938 ( -10.604 -0.934 0.761) 10.672 28.938 ( -10.604 0.934 0.761) 10.672 29.128 ( -7.189 -7.580 -0.813) 10.478 29.128 ( -7.189 7.580 -0.813) 10.478 30.204 ( -15.097 -9.787 2.234) 18.130 30.204 ( -15.097 9.787 2.234) 18.130 30.508 ( -11.160 -3.638 -5.277) 12.869 30.508 ( -11.160 3.638 -5.277) 12.869 31.454 ( 16.874 -2.411 -0.853) 17.066 31.454 ( 16.874 2.411 -0.853) 17.066 31.527 ( 14.932 -3.751 2.199) 15.552 31.527 ( 14.932 3.751 2.199) 15.552 32.803 ( -2.921 -3.489 2.939) 5.417 32.803 ( -2.921 3.489 2.939) 5.417 32.935 ( -0.897 -3.999 -2.292) 4.695 32.935 ( -0.897 3.999 -2.292) 4.695 33.728 ( 3.083 -4.268 -0.437) 5.283 33.728 ( 3.083 4.268 -0.437) 5.283 34.074 ( 5.584 -2.467 0.786) 6.155 34.074 ( 5.584 2.467 0.786) 6.155 37.055 ( -9.139 -4.025 0.156) 9.988 37.055 ( -9.139 4.025 0.156) 9.988 37.296 ( -5.290 -6.371 0.235) 8.285 37.296 ( -5.290 6.371 0.235) 8.285 39.039 ( 3.515 -2.891 -0.535) 4.583 39.039 ( 3.515 2.891 -0.535) 4.583 39.590 ( -0.271 -3.088 0.399) 3.125 39.590 ( -0.271 3.088 0.399) 3.125 40.189 ( -2.179 -3.576 -1.804) 4.560 40.189 ( -2.179 3.576 -1.804) 4.560 40.532 ( -2.454 -4.699 2.871) 6.029 40.532 ( -2.454 4.699 2.871) 6.029 40.786 ( 0.343 -10.038 4.291) 10.922 40.786 ( 0.343 10.038 4.291) 10.922 41.081 ( -1.479 -4.486 -9.594) 10.694 41.081 ( -1.479 4.486 -9.594) 10.694 42.107 ( 3.553 -5.399 12.734) 14.281 42.107 ( 3.553 5.399 12.734) 14.281 42.423 ( 5.427 -13.789 -6.763) 16.289 42.423 ( 5.427 13.789 -6.763) 16.289 43.330 ( -8.306 -6.227 0.615) 10.399 43.330 ( -8.306 6.227 0.615) 10.399 43.638 ( -6.753 -8.540 -1.103) 10.943 43.638 ( -6.753 8.540 -1.103) 10.943 ======================= Grid point 82 (44/60) ======================= q-point: (-0.14 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( -11.584 -7.094 7.664) 15.597 1.414 ( -11.584 7.094 7.664) 15.597 1.878 ( -11.708 -1.849 -0.945) 11.890 1.878 ( -11.708 1.849 -0.945) 11.890 2.073 ( -18.199 -5.158 -2.218) 19.045 2.073 ( -18.199 5.158 -2.218) 19.045 2.195 ( -14.153 -8.641 -10.741) 19.757 2.195 ( -14.153 8.641 -10.741) 19.757 2.636 ( -2.142 -6.577 1.377) 7.053 2.636 ( -2.142 6.577 1.377) 7.053 2.876 ( -1.307 -14.032 5.584) 15.158 2.876 ( -1.307 14.032 5.584) 15.158 3.055 ( -2.305 -7.455 6.987) 10.474 3.055 ( -2.305 7.455 6.987) 10.474 3.165 ( 0.113 -2.722 0.359) 2.748 3.165 ( 0.113 2.722 0.359) 2.748 3.275 ( 0.172 -3.120 -2.455) 3.973 3.275 ( 0.172 3.120 -2.455) 3.973 3.523 ( -7.281 -6.012 -2.999) 9.907 3.523 ( -7.281 6.012 -2.999) 9.907 3.733 ( -2.781 -4.081 -1.879) 5.284 3.733 ( -2.781 4.081 -1.879) 5.284 3.819 ( 0.461 -4.596 -0.819) 4.692 3.819 ( 0.461 4.596 -0.819) 4.692 3.997 ( -5.048 -4.284 4.027) 7.750 3.997 ( -5.048 4.284 4.027) 7.750 4.129 ( 2.242 -1.247 1.681) 3.067 4.129 ( 2.242 1.247 1.681) 3.067 4.258 ( -0.844 -4.393 0.558) 4.509 4.258 ( -0.844 4.393 0.558) 4.509 4.390 ( 0.010 -1.177 -3.120) 3.334 4.390 ( 0.010 1.177 -3.120) 3.334 4.544 ( -2.053 -1.572 -0.162) 2.590 4.544 ( -2.053 1.572 -0.162) 2.590 4.670 ( 0.580 -0.810 0.910) 1.350 4.670 ( 0.580 0.810 0.910) 1.350 4.827 ( -4.802 -1.273 0.176) 4.970 4.827 ( -4.802 1.273 0.176) 4.970 5.023 ( -7.401 -1.724 -2.456) 7.987 5.023 ( -7.401 1.724 -2.456) 7.987 5.603 ( 3.579 -3.794 1.251) 5.364 5.603 ( 3.579 3.794 1.251) 5.364 5.653 ( -1.477 -3.712 0.022) 3.995 5.653 ( -1.477 3.712 0.022) 3.995 5.840 ( -3.567 -3.159 -2.158) 5.231 5.840 ( -3.567 3.159 -2.158) 5.231 5.901 ( -5.744 -5.233 0.741) 7.805 5.901 ( -5.744 5.233 0.741) 7.805 6.473 ( -2.132 -3.807 -1.428) 4.591 6.473 ( -2.132 3.807 -1.428) 4.591 6.622 ( -9.450 -2.237 3.050) 10.179 6.622 ( -9.450 2.237 3.050) 10.179 6.890 ( -9.589 -6.246 0.175) 11.445 6.890 ( -9.589 6.246 0.175) 11.445 6.971 ( 2.149 -4.276 -1.484) 5.010 6.971 ( 2.149 4.276 -1.484) 5.010 7.531 ( 1.965 -0.531 0.741) 2.166 7.531 ( 1.965 0.531 0.741) 2.166 7.632 ( 5.002 -4.594 -2.020) 7.086 7.632 ( 5.002 4.594 -2.020) 7.086 8.389 ( -1.298 -2.262 1.455) 2.986 8.389 ( -1.298 2.262 1.455) 2.986 8.573 ( 0.323 -2.041 -0.147) 2.072 8.573 ( 0.323 2.041 -0.147) 2.072 9.497 ( 0.604 -0.399 0.145) 0.738 9.497 ( 0.604 0.399 0.145) 0.738 9.555 ( -0.086 -1.187 -0.197) 1.207 9.555 ( -0.086 1.187 -0.197) 1.207 10.225 ( -1.949 -1.847 -0.461) 2.725 10.225 ( -1.949 1.847 -0.461) 2.725 10.284 ( -4.133 -1.975 0.496) 4.608 10.284 ( -4.133 1.975 0.496) 4.608 11.518 ( 2.400 -7.684 0.493) 8.065 11.518 ( 2.400 7.684 0.493) 8.065 11.637 ( 2.803 -6.626 -0.522) 7.213 11.637 ( 2.803 6.626 -0.522) 7.213 12.087 ( 5.533 -10.143 0.610) 11.570 12.087 ( 5.533 10.143 0.610) 11.570 12.226 ( 6.330 -9.255 -0.655) 11.231 12.226 ( 6.330 9.255 -0.655) 11.231 12.761 ( -1.355 -1.618 0.618) 2.200 12.761 ( -1.355 1.618 0.618) 2.200 12.819 ( -1.439 -0.975 -0.653) 1.857 12.819 ( -1.439 0.975 -0.653) 1.857 14.252 ( 5.103 -5.819 0.632) 7.765 14.252 ( 5.103 5.819 0.632) 7.765 14.306 ( 7.184 -5.427 -0.083) 9.003 14.306 ( 7.184 5.427 -0.083) 9.003 14.573 ( 7.621 -2.769 0.819) 8.150 14.573 ( 7.621 2.769 0.819) 8.150 14.690 ( 7.828 -2.044 -2.121) 8.363 14.690 ( 7.828 2.044 -2.121) 8.363 16.133 ( 2.124 -0.608 -0.785) 2.345 16.133 ( 2.124 0.608 -0.785) 2.345 16.157 ( -1.115 -1.561 0.278) 1.939 16.157 ( -1.115 1.561 0.278) 1.939 16.793 ( -5.294 -5.761 0.271) 7.829 16.793 ( -5.294 5.761 0.271) 7.829 16.852 ( -6.020 -6.345 -0.470) 8.759 16.852 ( -6.020 6.345 -0.470) 8.759 18.025 ( -0.668 -9.811 -0.211) 9.836 18.025 ( -0.668 9.811 -0.211) 9.836 18.077 ( -1.132 -10.223 0.358) 10.292 18.077 ( -1.132 10.223 0.358) 10.292 18.744 ( -3.154 -8.461 0.049) 9.030 18.744 ( -3.154 8.461 0.049) 9.030 18.775 ( -3.938 -11.121 -0.069) 11.798 18.775 ( -3.938 11.121 -0.069) 11.798 19.564 ( -1.015 -0.379 0.052) 1.084 19.564 ( -1.015 0.379 0.052) 1.084 19.944 ( -0.455 -6.300 0.001) 6.317 19.944 ( -0.455 6.300 0.001) 6.317 20.001 ( -1.195 -5.442 -0.022) 5.572 20.001 ( -1.195 5.442 -0.022) 5.572 20.151 ( -2.004 -0.633 0.024) 2.102 20.151 ( -2.004 0.633 0.024) 2.102 20.485 ( 1.243 -1.168 -0.289) 1.730 20.485 ( 1.243 1.168 -0.289) 1.730 21.086 ( 0.763 -0.248 -0.385) 0.889 21.086 ( 0.763 0.248 -0.385) 0.889 21.476 ( 6.759 -5.218 -0.480) 8.552 21.476 ( 6.759 5.218 -0.480) 8.552 21.524 ( 7.133 -5.257 0.631) 8.884 21.524 ( 7.133 5.257 0.631) 8.884 21.880 ( 4.493 -1.697 0.465) 4.826 21.880 ( 4.493 1.697 0.465) 4.826 21.952 ( 3.865 -2.155 -0.989) 4.534 21.952 ( 3.865 2.155 -0.989) 4.534 22.232 ( 15.123 -5.733 0.272) 16.175 22.232 ( 15.123 5.733 0.272) 16.175 22.309 ( 18.634 -6.287 1.232) 19.705 22.309 ( 18.634 6.287 1.232) 19.705 25.282 ( -12.563 -7.843 0.434) 14.817 25.282 ( -12.563 7.843 0.434) 14.817 25.331 ( -12.679 -5.403 -0.492) 13.791 25.331 ( -12.679 5.403 -0.492) 13.791 26.284 ( -4.545 -2.835 0.089) 5.358 26.284 ( -4.545 2.835 0.089) 5.358 26.363 ( -4.808 -4.559 -0.293) 6.632 26.363 ( -4.808 4.559 -0.293) 6.632 26.932 ( -1.712 -0.804 -0.203) 1.903 26.932 ( -1.712 0.804 -0.203) 1.903 27.048 ( 0.652 -0.351 0.623) 0.968 27.048 ( 0.652 0.351 0.623) 0.968 27.850 ( -1.896 -9.911 0.851) 10.126 27.850 ( -1.896 9.911 0.851) 10.126 28.035 ( -1.319 -11.101 -1.008) 11.225 28.035 ( -1.319 11.101 -1.008) 11.225 28.724 ( -8.192 -1.195 1.333) 8.385 28.724 ( -8.192 1.195 1.333) 8.385 28.944 ( -9.137 -9.745 -1.508) 13.443 28.944 ( -9.137 9.745 -1.508) 13.443 29.955 ( -8.454 -9.523 1.879) 12.872 29.955 ( -8.454 9.523 1.879) 12.872 30.314 ( -5.609 -4.201 -7.914) 10.571 30.314 ( -5.609 4.201 -7.914) 10.571 31.739 ( 9.593 -0.223 0.093) 9.596 31.739 ( 9.593 0.223 0.093) 9.596 31.801 ( 9.428 -1.876 1.024) 9.667 31.801 ( 9.428 1.876 1.024) 9.667 32.737 ( -3.536 -2.920 6.622) 8.055 32.737 ( -3.536 2.920 6.622) 8.055 32.922 ( 0.390 -4.079 -3.175) 5.184 32.922 ( 0.390 4.079 -3.175) 5.184 33.809 ( 3.986 -5.394 0.760) 6.750 33.809 ( 3.986 5.394 0.760) 6.750 34.205 ( 5.704 -2.287 -0.319) 6.153 34.205 ( 5.704 2.287 -0.319) 6.153 36.864 ( -7.551 -1.811 0.137) 7.766 36.864 ( -7.551 1.811 0.137) 7.766 37.169 ( -5.812 -4.862 0.032) 7.578 37.169 ( -5.812 4.862 0.032) 7.578 39.118 ( 3.905 -4.935 1.274) 6.421 39.118 ( 3.905 4.935 1.274) 6.421 39.584 ( -0.640 -3.568 0.486) 3.657 39.584 ( -0.640 3.568 0.486) 3.657 40.149 ( -1.129 -2.990 -2.902) 4.317 40.149 ( -1.129 2.990 -2.902) 4.317 40.467 ( -3.036 -6.198 1.816) 7.136 40.467 ( -3.036 6.198 1.816) 7.136 40.782 ( -1.717 -4.930 7.249) 8.933 40.782 ( -1.717 4.930 7.249) 8.933 41.054 ( 0.427 -4.511 -9.620) 10.634 41.054 ( 0.427 4.511 -9.620) 10.634 42.187 ( 1.531 -8.309 15.439) 17.599 42.187 ( 1.531 8.309 15.439) 17.599 42.564 ( 7.967 -9.998 -9.833) 16.129 42.564 ( 7.967 9.998 -9.833) 16.129 43.152 ( -6.921 -5.703 0.263) 8.972 43.152 ( -6.921 5.703 0.263) 8.972 43.464 ( -8.616 -7.478 -0.463) 11.418 43.464 ( -8.616 7.478 -0.463) 11.418 ======================= Grid point 98 (45/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( -6.128 0.000 -13.146) 14.504 0.693 ( 6.128 0.000 13.146) 14.504 1.328 ( 17.226 0.000 -31.691) 36.070 1.328 ( -17.226 0.000 31.691) 36.070 1.889 ( 0.470 0.000 -32.644) 32.648 1.889 ( -0.470 0.000 32.644) 32.648 2.213 ( -3.391 0.000 -17.098) 17.431 2.213 ( 3.391 0.000 17.098) 17.431 2.492 ( 2.744 0.000 -9.600) 9.985 2.492 ( -2.744 0.000 9.600) 9.985 2.788 ( -7.157 0.000 -2.286) 7.513 2.788 ( 7.157 0.000 2.286) 7.513 2.862 ( -0.042 0.000 -8.015) 8.015 2.862 ( 0.042 0.000 8.015) 8.015 3.312 ( -1.052 0.000 -2.263) 2.496 3.312 ( 1.052 0.000 2.263) 2.496 3.380 ( -1.788 0.000 -0.240) 1.804 3.380 ( 1.788 0.000 0.240) 1.804 3.516 ( 1.981 0.000 -2.482) 3.176 3.516 ( -1.981 0.000 2.482) 3.176 3.625 ( 3.467 0.000 -4.791) 5.914 3.625 ( -3.467 0.000 4.791) 5.914 3.873 ( -0.658 0.000 -1.346) 1.498 3.873 ( 0.658 0.000 1.346) 1.498 4.053 ( -1.435 0.000 -0.981) 1.738 4.053 ( 1.435 0.000 0.981) 1.738 4.311 ( 1.422 0.000 -4.259) 4.490 4.311 ( -1.422 0.000 4.259) 4.490 4.348 ( -1.908 0.000 -9.767) 9.952 4.348 ( 1.908 0.000 9.767) 9.952 4.423 ( -5.786 0.000 -3.368) 6.694 4.423 ( 5.786 0.000 3.368) 6.694 4.510 ( -8.583 0.000 2.443) 8.924 4.510 ( 8.583 0.000 -2.443) 8.924 4.553 ( -2.621 0.000 0.814) 2.744 4.553 ( 2.621 0.000 -0.814) 2.744 4.694 ( 6.805 0.000 -2.809) 7.362 4.694 ( -6.805 0.000 2.809) 7.362 5.111 ( -0.596 0.000 -5.563) 5.595 5.111 ( 0.596 0.000 5.563) 5.595 5.377 ( -1.733 0.000 -0.293) 1.757 5.377 ( 1.733 0.000 0.293) 1.757 5.500 ( 2.048 0.000 -4.208) 4.680 5.500 ( -2.048 0.000 4.208) 4.680 5.681 ( -3.434 0.000 -5.923) 6.846 5.681 ( 3.434 0.000 5.923) 6.846 5.928 ( -4.310 0.000 -5.774) 7.205 5.928 ( 4.310 0.000 5.774) 7.205 6.347 ( 4.782 0.000 -3.736) 6.068 6.347 ( -4.782 0.000 3.736) 6.068 6.465 ( -5.515 0.000 1.226) 5.649 6.465 ( 5.515 0.000 -1.226) 5.649 6.612 ( -8.314 0.000 -3.078) 8.865 6.612 ( 8.314 0.000 3.078) 8.865 7.211 ( -1.363 0.000 -1.910) 2.346 7.211 ( 1.363 0.000 1.910) 2.346 7.458 ( 6.384 0.000 -14.238) 15.604 7.458 ( -6.384 0.000 14.238) 15.604 7.615 ( 5.359 0.000 -15.347) 16.256 7.615 ( -5.359 0.000 15.347) 16.256 8.367 ( 1.567 0.000 -1.390) 2.094 8.367 ( -1.567 0.000 1.390) 2.094 8.851 ( 0.248 0.000 -1.162) 1.188 8.851 ( -0.248 0.000 1.162) 1.188 9.481 ( -1.892 0.000 -0.677) 2.009 9.481 ( 1.892 0.000 0.677) 2.009 9.543 ( 0.530 0.000 -0.220) 0.573 9.543 ( -0.530 0.000 0.220) 0.573 10.160 ( -0.736 0.000 -0.492) 0.886 10.160 ( 0.736 0.000 0.492) 0.886 10.314 ( -2.438 0.000 -0.584) 2.507 10.314 ( 2.438 0.000 0.584) 2.507 11.052 ( 0.276 0.000 -0.957) 0.996 11.052 ( -0.276 0.000 0.957) 0.996 11.699 ( 0.603 0.000 -3.525) 3.576 11.699 ( -0.603 0.000 3.525) 3.576 12.179 ( 0.012 0.000 -0.040) 0.042 12.179 ( -0.012 0.000 0.040) 0.042 12.602 ( 1.971 0.000 -3.641) 4.140 12.602 ( -1.971 0.000 3.641) 4.140 12.838 ( 0.846 0.000 -0.685) 1.088 12.838 ( -0.846 0.000 0.685) 1.088 13.243 ( -0.548 0.000 -0.192) 0.580 13.243 ( 0.548 0.000 0.192) 0.580 13.668 ( -0.445 0.000 -1.117) 1.202 13.668 ( 0.445 0.000 1.117) 1.202 14.460 ( -1.888 0.000 -0.147) 1.894 14.460 ( 1.888 0.000 0.147) 1.894 14.674 ( 1.025 0.000 -4.148) 4.273 14.674 ( -1.025 0.000 4.148) 4.273 14.967 ( 0.417 0.000 -1.240) 1.308 14.967 ( -0.417 0.000 1.240) 1.308 15.999 ( -1.062 0.000 0.313) 1.107 15.999 ( 1.062 0.000 -0.313) 1.107 16.291 ( -5.280 0.000 -1.032) 5.380 16.291 ( 5.280 0.000 1.032) 5.380 16.322 ( -4.457 0.000 -1.280) 4.637 16.322 ( 4.457 0.000 1.280) 4.637 16.773 ( -0.407 0.000 -0.784) 0.883 16.773 ( 0.407 0.000 0.784) 0.883 17.633 ( -2.609 0.000 0.632) 2.685 17.633 ( 2.609 0.000 -0.632) 2.685 18.211 ( -0.928 0.000 -0.060) 0.930 18.211 ( 0.928 0.000 0.060) 0.930 18.699 ( -0.085 0.000 -0.857) 0.861 18.699 ( 0.085 0.000 0.857) 0.861 19.237 ( -1.398 0.000 0.239) 1.418 19.237 ( 1.398 0.000 -0.239) 1.418 19.531 ( 0.363 0.000 -0.283) 0.460 19.531 ( -0.363 0.000 0.283) 0.460 19.974 ( -1.099 0.000 -1.906) 2.200 19.974 ( 1.099 0.000 1.906) 2.200 20.079 ( -0.664 0.000 -1.128) 1.309 20.079 ( 0.664 0.000 1.128) 1.309 20.308 ( -0.941 0.000 -1.300) 1.605 20.308 ( 0.941 0.000 1.300) 1.605 20.423 ( -0.855 0.000 -0.287) 0.902 20.423 ( 0.855 0.000 0.287) 0.902 21.002 ( -0.859 0.000 -0.019) 0.859 21.002 ( 0.859 0.000 0.019) 0.859 21.350 ( -2.204 0.000 0.441) 2.247 21.350 ( 2.204 0.000 -0.441) 2.247 21.574 ( 1.035 0.000 -1.058) 1.480 21.574 ( -1.035 0.000 1.058) 1.480 21.760 ( 0.328 0.000 -0.145) 0.358 21.760 ( -0.328 0.000 0.145) 0.358 22.047 ( -0.465 0.000 -0.960) 1.067 22.047 ( 0.465 0.000 0.960) 1.067 22.318 ( -1.267 0.000 -1.156) 1.715 22.318 ( 1.267 0.000 1.156) 1.715 23.407 ( -2.448 0.000 -0.485) 2.495 23.407 ( 2.448 0.000 0.485) 2.495 24.270 ( 0.396 0.000 -1.285) 1.345 24.270 ( -0.396 0.000 1.285) 1.345 25.288 ( -2.919 0.000 -2.799) 4.044 25.288 ( 2.919 0.000 2.799) 4.044 26.264 ( -1.599 0.000 -1.310) 2.067 26.264 ( 1.599 0.000 1.310) 2.067 26.578 ( -0.465 0.000 -0.878) 0.994 26.578 ( 0.465 0.000 0.878) 0.994 26.689 ( -4.478 0.000 -0.325) 4.490 26.689 ( 4.478 0.000 0.325) 4.490 27.055 ( 1.869 0.000 -1.408) 2.340 27.055 ( -1.869 0.000 1.408) 2.340 27.271 ( -8.525 0.000 -0.552) 8.543 27.271 ( 8.525 0.000 0.552) 8.543 28.168 ( -1.100 0.000 -1.121) 1.571 28.168 ( 1.100 0.000 1.121) 1.571 28.548 ( 0.204 0.000 -0.102) 0.228 28.548 ( -0.204 0.000 0.102) 0.228 28.585 ( -4.475 0.000 0.106) 4.477 28.585 ( 4.475 0.000 -0.106) 4.477 29.666 ( 0.588 0.000 -2.404) 2.474 29.666 ( -0.588 0.000 2.404) 2.474 30.838 ( 17.151 0.000 -8.831) 19.291 30.838 ( -17.151 0.000 8.831) 19.291 31.875 ( -1.505 0.000 -0.352) 1.546 31.875 ( 1.505 0.000 0.352) 1.546 31.919 ( -1.681 0.000 -1.200) 2.065 31.919 ( 1.681 0.000 1.200) 2.065 32.794 ( 2.804 0.000 -5.914) 6.545 32.794 ( -2.804 0.000 5.914) 6.545 33.192 ( -0.036 0.000 -0.304) 0.306 33.192 ( 0.036 0.000 0.304) 0.306 33.787 ( -5.530 0.000 -4.845) 7.352 33.787 ( 5.530 0.000 4.845) 7.352 34.069 ( -2.824 0.000 -0.998) 2.995 34.069 ( 2.824 0.000 0.998) 2.995 36.762 ( -0.008 0.000 -1.486) 1.486 36.762 ( 0.008 0.000 1.486) 1.486 37.083 ( -5.278 0.000 1.284) 5.431 37.083 ( 5.278 0.000 -1.284) 5.431 39.358 ( 1.072 0.000 -1.604) 1.930 39.358 ( -1.072 0.000 1.604) 1.930 39.632 ( -14.474 0.000 4.753) 15.235 39.632 ( 14.474 0.000 -4.753) 15.235 39.929 ( -12.513 0.000 -4.085) 13.163 39.929 ( 12.513 0.000 4.085) 13.163 40.455 ( -8.756 0.000 -8.203) 11.998 40.455 ( 8.756 0.000 8.203) 11.998 40.818 ( 2.733 0.000 -2.445) 3.667 40.818 ( -2.733 0.000 2.445) 3.667 41.055 ( 4.411 0.000 -12.335) 13.100 41.055 ( -4.411 0.000 12.335) 13.100 42.377 ( 28.397 0.000 -10.571) 30.300 42.377 ( -28.397 0.000 10.571) 30.300 43.143 ( -12.637 0.000 -4.874) 13.544 43.143 ( 12.637 0.000 4.874) 13.544 43.265 ( 6.586 0.000 -2.808) 7.160 43.265 ( -6.586 0.000 2.808) 7.160 44.077 ( -7.236 0.000 0.805) 7.281 44.077 ( 7.236 0.000 -0.805) 7.281 ======================= Grid point 100 (46/60) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 16.377 0.000 -11.454) 19.985 1.059 ( 22.734 0.000 13.922) 26.658 1.262 ( 11.247 0.000 26.267) 28.573 1.564 ( 9.246 0.000 -25.305) 26.941 2.168 ( 4.769 0.000 -14.153) 14.935 2.296 ( 3.853 0.000 12.603) 13.179 2.351 ( 3.670 0.000 12.215) 12.755 2.408 ( 33.452 0.000 -13.782) 36.180 2.417 ( 25.406 0.000 16.005) 30.027 2.474 ( 1.152 0.000 -11.661) 11.718 2.797 ( 4.400 0.000 1.212) 4.563 2.954 ( 8.002 0.000 -6.989) 10.624 2.963 ( 6.629 0.000 8.401) 10.702 3.032 ( 9.781 0.000 -1.682) 9.924 3.296 ( -3.484 0.000 -3.812) 5.164 3.318 ( 0.956 0.000 -6.808) 6.875 3.381 ( 2.548 0.000 3.026) 3.956 3.511 ( 2.846 0.000 7.984) 8.476 3.595 ( 6.271 0.000 1.660) 6.487 3.606 ( 6.523 0.000 -1.970) 6.814 3.677 ( 12.280 0.000 4.888) 13.218 3.812 ( 9.796 0.000 -1.843) 9.968 3.822 ( -3.090 0.000 -1.576) 3.469 3.857 ( -1.061 0.000 -2.568) 2.779 4.054 ( 1.730 0.000 -1.690) 2.419 4.114 ( 3.161 0.000 0.163) 3.165 4.179 ( -9.437 0.000 -6.017) 11.192 4.235 ( -5.720 0.000 7.666) 9.565 4.322 ( -2.627 0.000 5.644) 6.226 4.324 ( 0.813 0.000 -0.640) 1.034 4.378 ( 1.245 0.000 -5.622) 5.758 4.452 ( -0.598 0.000 1.646) 1.752 4.473 ( -3.967 0.000 0.386) 3.986 4.518 ( 1.897 0.000 0.194) 1.907 4.600 ( -1.757 0.000 5.297) 5.581 4.614 ( 3.519 0.000 0.285) 3.531 4.791 ( 15.139 0.000 1.207) 15.187 4.819 ( 3.916 0.000 2.341) 4.563 5.038 ( -3.629 0.000 -5.245) 6.378 5.058 ( -1.436 0.000 -1.350) 1.971 5.414 ( 4.902 0.000 -2.600) 5.549 5.457 ( 5.416 0.000 -3.655) 6.534 5.508 ( -5.994 0.000 -3.534) 6.958 5.578 ( 4.077 0.000 1.712) 4.422 5.713 ( 1.438 0.000 -0.768) 1.630 5.737 ( 10.977 0.000 -4.777) 11.972 5.806 ( -7.675 0.000 5.553) 9.473 5.811 ( -0.396 0.000 0.747) 0.846 6.348 ( -0.739 0.000 -0.199) 0.766 6.447 ( 1.099 0.000 0.809) 1.365 6.449 ( 5.475 0.000 8.526) 10.133 6.516 ( 4.838 0.000 -6.978) 8.491 6.682 ( 11.801 0.000 6.383) 13.416 6.847 ( 10.707 0.000 4.017) 11.435 7.158 ( -7.549 0.000 -15.519) 17.258 7.245 ( 7.162 0.000 -12.928) 14.779 7.309 ( -9.670 0.000 16.135) 18.811 7.484 ( -5.375 0.000 13.927) 14.928 7.664 ( 11.570 0.000 0.099) 11.570 7.731 ( 6.663 0.000 -7.848) 10.295 8.290 ( -3.785 0.000 -1.406) 4.038 8.373 ( 1.898 0.000 -4.089) 4.508 8.829 ( -3.007 0.000 2.798) 4.107 8.869 ( 1.209 0.000 2.320) 2.616 9.461 ( 0.872 0.000 -0.101) 0.877 9.491 ( 0.171 0.000 -0.292) 0.338 9.586 ( 2.270 0.000 0.094) 2.272 9.590 ( 2.619 0.000 -0.450) 2.657 10.164 ( 1.133 0.000 -0.385) 1.196 10.203 ( 3.204 0.000 0.337) 3.221 10.295 ( 0.525 0.000 -0.753) 0.918 10.388 ( 3.750 0.000 1.051) 3.895 11.041 ( -0.798 0.000 0.773) 1.111 11.050 ( -0.173 0.000 -0.969) 0.985 11.625 ( -6.693 0.000 3.806) 7.700 11.642 ( -5.514 0.000 -3.111) 6.331 12.094 ( -8.039 0.000 0.008) 8.039 12.098 ( -7.467 0.000 -0.385) 7.477 12.529 ( -4.218 0.000 2.397) 4.852 12.581 ( -2.776 0.000 -3.811) 4.715 12.880 ( 4.218 0.000 0.815) 4.296 12.896 ( 4.066 0.000 -0.340) 4.081 13.229 ( -0.823 0.000 -0.206) 0.849 13.251 ( 0.083 0.000 0.171) 0.190 13.559 ( -9.629 0.000 -1.418) 9.733 13.574 ( -9.744 0.000 1.639) 9.881 14.426 ( -0.913 0.000 -1.299) 1.588 14.476 ( -0.624 0.000 0.048) 0.626 14.600 ( -5.785 0.000 3.833) 6.939 14.631 ( -4.280 0.000 -2.882) 5.160 14.796 ( -12.472 0.000 1.116) 12.522 14.801 ( -12.646 0.000 -0.981) 12.684 15.900 ( -16.536 0.000 0.414) 16.541 15.924 ( -16.733 0.000 -0.209) 16.734 16.128 ( 7.333 0.000 0.790) 7.376 16.167 ( 8.340 0.000 -0.563) 8.359 16.748 ( 22.561 0.000 -0.060) 22.561 16.768 ( 24.272 0.000 -2.183) 24.370 16.885 ( 11.299 0.000 -0.412) 11.306 16.914 ( 11.576 0.000 1.276) 11.646 17.354 ( -16.840 0.000 0.474) 16.846 17.429 ( -16.772 0.000 -0.572) 16.782 18.259 ( 6.086 0.000 -0.268) 6.092 18.294 ( 6.805 0.000 0.555) 6.828 18.774 ( 4.751 0.000 -0.461) 4.773 18.784 ( 5.458 0.000 -0.188) 5.461 19.240 ( 0.506 0.000 0.624) 0.803 19.282 ( 0.897 0.000 -0.728) 1.155 19.541 ( 1.339 0.000 0.761) 1.540 19.556 ( 2.148 0.000 -0.791) 2.289 19.891 ( -6.241 0.000 -0.775) 6.289 19.898 ( -3.973 0.000 0.745) 4.042 20.148 ( 3.499 0.000 -1.494) 3.805 20.167 ( 5.046 0.000 1.409) 5.239 20.234 ( -4.168 0.000 0.303) 4.179 20.238 ( -5.873 0.000 -0.070) 5.873 20.412 ( -0.443 0.000 0.426) 0.615 20.456 ( 1.402 0.000 -0.362) 1.448 20.998 ( -2.056 0.000 1.100) 2.332 21.030 ( 0.723 0.000 -0.680) 0.993 21.064 ( -16.533 0.000 0.405) 16.537 21.150 ( -15.196 0.000 1.021) 15.230 21.683 ( 3.860 0.000 1.609) 4.182 21.695 ( 3.947 0.000 -1.051) 4.084 21.737 ( -2.512 0.000 -0.601) 2.583 21.746 ( -1.756 0.000 0.043) 1.757 21.995 ( -3.902 0.000 -0.771) 3.978 22.002 ( -5.129 0.000 1.281) 5.287 22.160 ( -9.226 0.000 -1.101) 9.292 22.190 ( -9.913 0.000 0.697) 9.938 23.139 ( -20.449 0.000 -0.588) 20.457 23.202 ( -20.781 0.000 -0.551) 20.788 24.254 ( 4.487 0.000 -2.760) 5.268 24.269 ( 6.386 0.000 2.394) 6.820 25.601 ( 22.466 0.000 -1.725) 22.532 25.672 ( 21.825 0.000 2.128) 21.929 26.254 ( 1.989 0.000 -0.480) 2.046 26.282 ( 0.628 0.000 0.983) 1.166 26.495 ( -3.500 0.000 -1.051) 3.654 26.500 ( -1.339 0.000 1.023) 1.686 26.727 ( 4.923 0.000 1.327) 5.098 26.843 ( 6.148 0.000 -0.632) 6.181 27.052 ( -0.336 0.000 1.127) 1.176 27.094 ( 1.075 0.000 -1.397) 1.762 27.236 ( 3.390 0.000 0.390) 3.413 27.487 ( 5.318 0.000 4.545) 6.996 28.229 ( 5.983 0.000 -2.411) 6.450 28.248 ( 6.073 0.000 1.530) 6.263 28.616 ( 5.629 0.000 -0.407) 5.644 28.621 ( 7.740 0.000 0.831) 7.784 28.731 ( 13.778 0.000 -3.844) 14.305 29.007 ( 28.476 0.000 16.117) 32.721 29.699 ( 2.618 0.000 -1.993) 3.290 29.701 ( 4.467 0.000 1.161) 4.616 30.464 ( -12.077 0.000 -5.831) 13.411 31.029 ( 2.506 0.000 -9.513) 9.838 31.707 ( -13.064 0.000 -0.886) 13.094 31.797 ( -9.343 0.000 -0.066) 9.343 31.823 ( -6.744 0.000 -6.329) 9.249 31.935 ( -1.387 0.000 2.031) 2.460 32.728 ( -2.995 0.000 4.991) 5.821 32.810 ( -1.044 0.000 -4.038) 4.170 33.122 ( -3.247 0.000 -6.159) 6.963 33.170 ( 0.270 0.000 3.423) 3.433 33.706 ( -1.973 0.000 -2.581) 3.249 33.882 ( 0.975 0.000 3.983) 4.100 34.006 ( -1.946 0.000 -1.275) 2.326 34.110 ( 0.776 0.000 1.952) 2.101 36.803 ( 3.802 0.000 -1.730) 4.178 36.804 ( 3.522 0.000 1.784) 3.948 37.203 ( 12.424 0.000 0.308) 12.428 37.409 ( 19.248 0.000 9.961) 21.673 39.188 ( -16.942 0.000 -10.087) 19.718 39.339 ( -1.513 0.000 0.223) 1.529 39.403 ( 3.034 0.000 -1.684) 3.470 39.697 ( -0.744 0.000 -5.937) 5.984 39.863 ( 0.271 0.000 0.398) 0.482 40.167 ( -12.202 0.000 -4.767) 13.100 40.363 ( 14.744 0.000 -10.444) 18.069 40.556 ( -0.451 0.000 4.465) 4.487 40.785 ( 0.134 0.000 5.841) 5.842 40.850 ( -0.034 0.000 -1.630) 1.631 41.010 ( -0.888 0.000 11.886) 11.919 41.146 ( 4.998 0.000 -13.438) 14.337 41.821 ( -20.128 0.000 17.192) 26.471 42.666 ( -10.031 0.000 10.700) 14.666 43.046 ( 13.446 0.000 -18.699) 23.031 43.129 ( -6.050 0.000 9.143) 10.964 43.379 ( 7.479 0.000 4.227) 8.591 43.401 ( 5.333 0.000 0.900) 5.408 43.750 ( -17.858 0.000 -13.783) 22.558 44.089 ( -2.307 0.000 4.499) 5.056 ======================= Grid point 101 (47/60) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 19.175 0.000 -7.999) 20.776 1.570 ( 20.228 0.000 11.064) 23.056 1.726 ( 23.713 0.000 6.739) 24.652 1.823 ( 17.546 0.000 -10.342) 20.367 2.204 ( -0.449 0.000 -3.637) 3.665 2.284 ( 4.207 0.000 2.229) 4.761 2.461 ( 5.069 0.000 7.235) 8.834 2.476 ( 2.147 0.000 -7.416) 7.721 2.823 ( 3.268 0.000 1.457) 3.578 2.916 ( 9.043 0.000 -3.722) 9.779 3.040 ( -0.218 0.000 5.142) 5.147 3.066 ( 2.955 0.000 -3.932) 4.919 3.074 ( 14.054 0.000 6.294) 15.399 3.195 ( 5.973 0.000 -2.463) 6.461 3.346 ( 5.803 0.000 -8.910) 10.634 3.455 ( 5.846 0.000 2.272) 6.273 3.473 ( -2.066 0.000 -9.720) 9.937 3.497 ( 7.272 0.000 3.927) 8.265 3.618 ( -4.462 0.000 4.356) 6.236 3.703 ( 4.741 0.000 0.984) 4.843 3.788 ( 8.824 0.000 1.173) 8.902 3.873 ( 3.028 0.000 0.759) 3.121 3.956 ( 3.678 0.000 -0.709) 3.745 3.971 ( 2.049 0.000 -6.581) 6.893 4.019 ( -8.776 0.000 5.462) 10.337 4.034 ( 4.776 0.000 4.502) 6.563 4.130 ( 1.215 0.000 1.738) 2.120 4.159 ( -2.483 0.000 0.881) 2.635 4.297 ( -5.080 0.000 1.773) 5.380 4.318 ( -4.027 0.000 5.759) 7.027 4.390 ( 0.143 0.000 3.688) 3.691 4.446 ( 3.898 0.000 -4.676) 6.088 4.451 ( 0.442 0.000 -1.975) 2.024 4.531 ( 1.770 0.000 -3.462) 3.888 4.648 ( 5.500 0.000 -0.081) 5.501 4.707 ( 5.204 0.000 1.661) 5.463 4.830 ( -0.680 0.000 0.733) 1.000 4.970 ( -1.918 0.000 -1.075) 2.199 5.047 ( 8.267 0.000 1.603) 8.421 5.098 ( -1.929 0.000 -1.251) 2.299 5.336 ( -0.749 0.000 -1.274) 1.478 5.428 ( -6.491 0.000 0.602) 6.518 5.597 ( 7.849 0.000 2.612) 8.272 5.632 ( -10.010 0.000 0.440) 10.020 5.672 ( 5.316 0.000 -0.944) 5.400 5.735 ( 3.012 0.000 -3.635) 4.721 6.030 ( 11.618 0.000 0.047) 11.618 6.095 ( 19.543 0.000 4.102) 19.969 6.373 ( 1.002 0.000 -1.598) 1.886 6.434 ( -0.256 0.000 -1.855) 1.873 6.675 ( 10.509 0.000 2.921) 10.907 6.683 ( -5.175 0.000 1.575) 5.410 6.890 ( 10.366 0.000 -14.619) 17.921 6.945 ( 1.233 0.000 -5.001) 5.151 7.081 ( 12.998 0.000 -0.227) 13.000 7.134 ( -3.465 0.000 6.709) 7.551 7.463 ( 10.143 0.000 -7.868) 12.837 7.464 ( 5.102 0.000 14.428) 15.303 7.908 ( 9.247 0.000 0.456) 9.258 7.932 ( 14.874 0.000 0.234) 14.876 8.342 ( 12.278 0.000 -3.439) 12.751 8.515 ( 11.888 0.000 -3.886) 12.507 8.722 ( -6.996 0.000 4.075) 8.096 8.891 ( 0.355 0.000 4.474) 4.488 9.500 ( 2.057 0.000 0.550) 2.129 9.502 ( 0.520 0.000 -2.899) 2.945 9.590 ( -3.098 0.000 -1.078) 3.280 9.609 ( -0.858 0.000 0.931) 1.266 10.208 ( 2.841 0.000 -0.141) 2.845 10.287 ( 4.119 0.000 0.304) 4.130 10.314 ( 0.848 0.000 -0.171) 0.865 10.433 ( -0.675 0.000 0.483) 0.830 11.028 ( -0.043 0.000 0.596) 0.597 11.064 ( 2.188 0.000 0.133) 2.192 11.430 ( -11.422 0.000 3.279) 11.883 11.462 ( -10.610 0.000 -2.289) 10.854 11.838 ( -15.505 0.000 -0.102) 15.505 11.872 ( -13.154 0.000 -0.428) 13.161 12.462 ( -1.590 0.000 0.945) 1.850 12.523 ( -1.376 0.000 -2.064) 2.481 12.988 ( 5.165 0.000 0.290) 5.173 12.995 ( 4.843 0.000 -0.363) 4.857 13.186 ( -6.660 0.000 0.559) 6.684 13.245 ( -0.896 0.000 0.356) 0.964 13.268 ( -16.138 0.000 -2.327) 16.305 13.294 ( -11.731 0.000 1.423) 11.817 14.409 ( -0.727 0.000 -2.337) 2.448 14.418 ( -12.764 0.000 1.122) 12.813 14.446 ( -1.919 0.000 0.941) 2.137 14.457 ( -13.191 0.000 -0.471) 13.199 14.564 ( -6.934 0.000 3.093) 7.593 14.571 ( -5.999 0.000 -2.665) 6.564 15.653 ( -5.450 0.000 0.844) 5.516 15.677 ( -4.735 0.000 -0.760) 4.796 16.130 ( -7.740 0.000 0.624) 7.765 16.187 ( -6.799 0.000 -0.568) 6.822 16.862 ( -10.875 0.000 0.611) 10.892 16.923 ( -11.283 0.000 -0.742) 11.307 17.269 ( 24.867 0.000 0.991) 24.887 17.311 ( 24.169 0.000 -3.352) 24.400 17.439 ( 22.843 0.000 0.150) 22.844 17.483 ( 23.005 0.000 1.633) 23.063 18.445 ( 10.490 0.000 -0.987) 10.536 18.468 ( 8.801 0.000 0.871) 8.844 18.887 ( 6.509 0.000 -0.677) 6.544 18.894 ( 5.718 0.000 0.753) 5.768 19.226 ( -1.595 0.000 1.474) 2.172 19.247 ( -3.017 0.000 -1.462) 3.353 19.573 ( 1.067 0.000 1.006) 1.466 19.586 ( -1.349 0.000 -0.752) 1.544 19.750 ( -5.094 0.000 -2.578) 5.710 19.787 ( -6.947 0.000 1.761) 7.166 20.072 ( -8.055 0.000 0.473) 8.069 20.109 ( -9.093 0.000 -0.011) 9.093 20.213 ( 2.216 0.000 -1.763) 2.832 20.251 ( 0.136 0.000 1.478) 1.484 20.433 ( 2.155 0.000 1.465) 2.606 20.436 ( -6.681 0.000 -0.936) 6.746 20.626 ( -14.918 0.000 0.333) 14.922 20.655 ( -26.142 0.000 -0.008) 26.142 21.055 ( 2.576 0.000 1.003) 2.764 21.092 ( 2.041 0.000 -0.690) 2.155 21.575 ( -11.207 0.000 -0.823) 11.237 21.614 ( -8.307 0.000 1.102) 8.379 21.727 ( -3.376 0.000 0.348) 3.394 21.729 ( -0.369 0.000 -0.370) 0.523 21.851 ( -6.333 0.000 0.071) 6.333 21.894 ( -6.845 0.000 -0.813) 6.894 22.031 ( -2.496 0.000 0.900) 2.653 22.039 ( -1.331 0.000 -0.394) 1.388 22.769 ( -11.341 0.000 0.872) 11.375 22.795 ( -13.033 0.000 -0.277) 13.036 24.385 ( 5.598 0.000 -1.752) 5.866 24.432 ( 5.675 0.000 1.608) 5.898 26.001 ( 13.619 0.000 -1.364) 13.687 26.025 ( 10.954 0.000 1.959) 11.128 26.337 ( 0.707 0.000 0.695) 0.991 26.349 ( 2.067 0.000 -0.304) 2.089 26.489 ( 7.279 0.000 -1.509) 7.434 26.517 ( 6.789 0.000 1.094) 6.876 26.866 ( 6.000 0.000 1.433) 6.168 26.930 ( 2.181 0.000 -0.562) 2.252 27.046 ( -0.194 0.000 2.246) 2.254 27.107 ( 0.195 0.000 -3.104) 3.110 27.296 ( 0.506 0.000 1.499) 1.582 27.464 ( -5.926 0.000 -1.873) 6.215 28.341 ( 4.166 0.000 -2.217) 4.719 28.375 ( 4.142 0.000 1.880) 4.548 28.794 ( 10.955 0.000 -0.346) 10.961 28.870 ( 13.895 0.000 1.076) 13.937 29.017 ( 11.258 0.000 -5.793) 12.660 29.418 ( 3.723 0.000 12.054) 12.616 29.895 ( 18.395 0.000 5.926) 19.326 29.906 ( 15.217 0.000 -1.559) 15.296 30.441 ( 9.229 0.000 -6.886) 11.515 31.003 ( -3.281 0.000 0.124) 3.284 31.372 ( -17.296 0.000 -0.118) 17.296 31.514 ( -16.020 0.000 -2.319) 16.187 31.619 ( -10.193 0.000 -8.531) 13.292 31.823 ( -9.510 0.000 5.122) 10.801 32.710 ( 0.629 0.000 2.678) 2.751 32.772 ( -1.071 0.000 -1.783) 2.080 33.111 ( 2.371 0.000 -7.500) 7.866 33.210 ( 1.884 0.000 4.639) 5.007 33.669 ( -1.244 0.000 -1.198) 1.727 33.822 ( -5.142 0.000 0.513) 5.168 34.012 ( 1.559 0.000 0.096) 1.562 34.110 ( -0.854 0.000 1.504) 1.730 36.901 ( 4.771 0.000 2.307) 5.299 36.902 ( 5.141 0.000 -2.228) 5.603 37.476 ( 11.772 0.000 -0.497) 11.783 37.722 ( 7.648 0.000 7.186) 10.495 38.984 ( -2.399 0.000 -2.352) 3.360 39.271 ( -4.916 0.000 -2.999) 5.759 39.463 ( 2.034 0.000 -1.612) 2.596 39.638 ( -5.408 0.000 -1.731) 5.679 39.879 ( 1.217 0.000 0.787) 1.449 39.928 ( -5.507 0.000 -2.587) 6.084 40.493 ( -4.114 0.000 0.875) 4.206 40.515 ( -0.111 0.000 -6.814) 6.815 40.823 ( 1.875 0.000 9.659) 9.840 40.846 ( 1.451 0.000 -4.681) 4.901 41.043 ( 2.219 0.000 12.615) 12.809 41.208 ( 1.912 0.000 -14.185) 14.313 41.641 ( 0.315 0.000 5.635) 5.644 42.340 ( -17.231 0.000 8.901) 19.394 43.040 ( -3.364 0.000 13.161) 13.584 43.285 ( -5.318 0.000 -13.018) 14.063 43.348 ( 4.934 0.000 -15.106) 15.892 43.480 ( 2.114 0.000 5.881) 6.249 43.639 ( 8.083 0.000 -7.196) 10.823 44.058 ( -1.940 0.000 8.351) 8.574 ======================= Grid point 102 (48/60) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 15.752 0.000 -5.108) 16.559 1.806 ( -1.392 0.000 0.194) 1.405 2.078 ( 9.533 0.000 -2.833) 9.945 2.120 ( 4.546 0.000 13.677) 14.413 2.246 ( 7.720 0.000 -5.405) 9.425 2.353 ( -2.328 0.000 -0.027) 2.328 2.552 ( 6.770 0.000 -5.824) 8.931 2.670 ( 4.718 0.000 8.675) 9.875 2.823 ( 6.618 0.000 -3.247) 7.372 2.995 ( 1.901 0.000 1.166) 2.230 3.072 ( -3.101 0.000 -0.635) 3.165 3.082 ( 3.822 0.000 1.112) 3.981 3.211 ( -3.649 0.000 2.422) 4.380 3.213 ( -6.665 0.000 -6.714) 9.460 3.310 ( 1.994 0.000 -4.011) 4.480 3.356 ( -2.640 0.000 -2.029) 3.329 3.519 ( 2.546 0.000 7.024) 7.471 3.618 ( -1.740 0.000 -4.587) 4.906 3.656 ( 3.037 0.000 -3.396) 4.555 3.730 ( -7.477 0.000 6.989) 10.235 3.853 ( 8.499 0.000 -5.514) 10.131 3.932 ( 1.488 0.000 1.077) 1.837 3.954 ( -2.033 0.000 3.816) 4.324 4.015 ( 2.341 0.000 -0.894) 2.505 4.051 ( 6.697 0.000 2.328) 7.090 4.106 ( -1.485 0.000 -6.119) 6.297 4.147 ( -1.809 0.000 3.401) 3.853 4.188 ( 3.373 0.000 -5.095) 6.111 4.223 ( 2.455 0.000 4.546) 5.167 4.227 ( -2.683 0.000 3.716) 4.584 4.389 ( 1.549 0.000 5.875) 6.076 4.474 ( -0.720 0.000 -3.164) 3.245 4.474 ( 1.536 0.000 1.171) 1.932 4.611 ( -6.148 0.000 -3.697) 7.174 4.661 ( -0.132 0.000 -3.502) 3.504 4.718 ( -0.059 0.000 3.242) 3.243 4.930 ( -0.986 0.000 2.313) 2.514 4.931 ( 3.030 0.000 -2.101) 3.687 5.030 ( 4.483 0.000 0.964) 4.586 5.200 ( 2.203 0.000 2.340) 3.214 5.268 ( -7.588 0.000 -0.329) 7.595 5.300 ( -4.135 0.000 0.447) 4.160 5.530 ( 2.050 0.000 -0.001) 2.050 5.609 ( -4.884 0.000 -2.291) 5.394 5.839 ( 13.235 0.000 4.786) 14.074 5.956 ( 8.958 0.000 0.450) 8.970 6.217 ( 7.634 0.000 0.127) 7.635 6.346 ( -1.369 0.000 -2.518) 2.866 6.393 ( 3.930 0.000 4.221) 5.767 6.406 ( -5.228 0.000 -0.763) 5.284 6.478 ( -1.817 0.000 -6.342) 6.597 6.566 ( -11.962 0.000 -0.761) 11.986 6.892 ( -3.710 0.000 -3.365) 5.009 6.896 ( -3.619 0.000 1.883) 4.080 7.463 ( 19.839 0.000 -0.444) 19.844 7.553 ( 8.192 0.000 5.040) 9.618 7.572 ( 2.964 0.000 -5.419) 6.177 7.600 ( 7.689 0.000 -1.184) 7.779 8.207 ( 17.580 0.000 0.781) 17.598 8.263 ( 10.422 0.000 0.748) 10.449 8.587 ( -2.906 0.000 3.617) 4.640 8.701 ( -2.999 0.000 1.636) 3.416 8.747 ( 21.876 0.000 1.025) 21.900 8.981 ( 8.946 0.000 -5.534) 10.519 9.392 ( -8.357 0.000 0.085) 8.357 9.511 ( -7.634 0.000 -0.672) 7.663 9.539 ( -0.469 0.000 2.127) 2.178 9.544 ( 0.120 0.000 -0.692) 0.702 10.284 ( 4.277 0.000 0.089) 4.278 10.314 ( -0.692 0.000 1.064) 1.269 10.341 ( -0.483 0.000 0.456) 0.664 10.356 ( -4.354 0.000 -1.668) 4.663 11.070 ( 4.396 0.000 -0.149) 4.398 11.132 ( 1.776 0.000 0.185) 1.786 11.218 ( -6.055 0.000 1.670) 6.281 11.242 ( -7.335 0.000 0.169) 7.337 11.518 ( -9.967 0.000 -0.612) 9.986 11.581 ( -12.199 0.000 -0.384) 12.205 12.483 ( 3.462 0.000 -0.807) 3.555 12.528 ( 0.814 0.000 0.660) 1.048 12.898 ( -10.146 0.000 1.815) 10.307 12.934 ( -11.596 0.000 -2.100) 11.784 13.088 ( 2.676 0.000 -0.158) 2.680 13.088 ( 2.665 0.000 -0.189) 2.671 13.223 ( -0.513 0.000 -0.315) 0.602 13.228 ( -0.848 0.000 0.429) 0.950 14.171 ( -7.126 0.000 0.770) 7.168 14.190 ( -8.630 0.000 -0.474) 8.643 14.396 ( 0.009 0.000 -2.365) 2.365 14.409 ( -1.430 0.000 1.826) 2.319 14.485 ( -1.662 0.000 3.244) 3.645 14.491 ( -1.757 0.000 -2.921) 3.409 15.673 ( 6.408 0.000 0.593) 6.435 15.718 ( 7.533 0.000 -0.659) 7.562 15.887 ( -12.336 0.000 0.094) 12.336 15.950 ( -12.776 0.000 -0.070) 12.776 16.731 ( -2.098 0.000 0.822) 2.253 16.751 ( -3.971 0.000 -0.842) 4.060 17.705 ( 12.899 0.000 1.982) 13.051 17.723 ( 11.753 0.000 -2.646) 12.047 17.883 ( 12.985 0.000 0.101) 12.986 17.901 ( 11.372 0.000 0.483) 11.382 18.646 ( 6.287 0.000 1.214) 6.403 18.649 ( 6.636 0.000 -1.360) 6.774 19.055 ( 6.782 0.000 0.119) 6.783 19.061 ( 7.195 0.000 -0.233) 7.199 19.218 ( 4.342 0.000 -1.555) 4.612 19.246 ( 7.465 0.000 1.593) 7.633 19.443 ( -10.324 0.000 0.291) 10.328 19.538 ( -10.516 0.000 -1.659) 10.646 19.655 ( -0.425 0.000 4.039) 4.062 19.736 ( 0.929 0.000 -3.757) 3.870 19.862 ( -8.563 0.000 0.653) 8.588 19.882 ( -6.194 0.000 0.535) 6.217 20.078 ( -16.675 0.000 0.902) 16.699 20.084 ( -16.633 0.000 -0.279) 16.635 20.258 ( 0.562 0.000 -2.645) 2.704 20.280 ( -2.693 0.000 2.052) 3.386 20.496 ( 1.742 0.000 3.095) 3.551 20.525 ( -0.883 0.000 -3.098) 3.222 21.108 ( 1.742 0.000 1.789) 2.497 21.121 ( 0.629 0.000 -1.590) 1.710 21.370 ( -5.268 0.000 1.080) 5.377 21.398 ( -7.601 0.000 -1.230) 7.700 21.666 ( -0.770 0.000 0.929) 1.207 21.689 ( -2.492 0.000 -0.643) 2.574 21.804 ( -0.947 0.000 -0.466) 1.056 21.804 ( -0.593 0.000 0.253) 0.645 22.028 ( 0.570 0.000 0.535) 0.781 22.035 ( 0.023 0.000 -0.377) 0.378 22.639 ( -2.305 0.000 0.731) 2.418 22.644 ( -2.769 0.000 -0.445) 2.804 24.466 ( 2.435 0.000 -0.539) 2.494 24.491 ( 0.289 0.000 0.440) 0.526 26.180 ( 3.759 0.000 1.535) 4.060 26.182 ( 3.986 0.000 -1.065) 4.126 26.303 ( -1.475 0.000 0.940) 1.749 26.314 ( -2.187 0.000 -1.154) 2.473 26.763 ( 13.925 0.000 -1.491) 14.005 26.770 ( 12.872 0.000 1.779) 12.994 26.946 ( -0.608 0.000 -0.162) 0.630 26.953 ( 2.482 0.000 0.663) 2.569 27.009 ( -5.447 0.000 2.873) 6.158 27.054 ( -5.783 0.000 -4.103) 7.091 27.267 ( -1.494 0.000 2.365) 2.797 27.311 ( -5.770 0.000 -2.477) 6.279 28.403 ( 1.980 0.000 -0.999) 2.218 28.421 ( 0.358 0.000 0.880) 0.950 29.025 ( 8.863 0.000 0.138) 8.864 29.104 ( 3.253 0.000 1.155) 3.452 29.199 ( 9.832 0.000 -5.119) 11.084 29.379 ( -6.016 0.000 4.700) 7.634 30.275 ( 15.422 0.000 -0.729) 15.439 30.292 ( 13.954 0.000 1.811) 14.071 30.730 ( 16.237 0.000 -1.402) 16.298 30.897 ( -5.685 0.000 2.232) 6.107 31.012 ( -14.281 0.000 1.607) 14.371 31.136 ( -18.448 0.000 -0.450) 18.453 31.476 ( 0.100 0.000 -11.338) 11.339 31.596 ( -10.605 0.000 7.710) 13.111 32.738 ( 1.371 0.000 1.212) 1.829 32.760 ( -0.479 0.000 -0.921) 1.038 33.174 ( 3.672 0.000 -5.583) 6.682 33.226 ( -1.237 0.000 4.703) 4.863 33.663 ( 0.967 0.000 -0.007) 0.967 33.717 ( -4.059 0.000 -0.673) 4.114 34.048 ( 1.768 0.000 0.080) 1.770 34.084 ( -1.552 0.000 0.602) 1.664 36.986 ( 2.273 0.000 2.590) 3.446 36.987 ( 2.465 0.000 -2.576) 3.565 37.680 ( 7.215 0.000 0.515) 7.233 37.778 ( -1.712 0.000 0.777) 1.880 39.015 ( 3.917 0.000 4.973) 6.330 39.136 ( -6.394 0.000 -5.907) 8.705 39.482 ( 0.571 0.000 -2.136) 2.211 39.519 ( -3.879 0.000 1.609) 4.199 39.905 ( 0.986 0.000 -1.434) 1.740 39.908 ( 0.860 0.000 0.903) 1.247 40.428 ( -1.375 0.000 0.217) 1.392 40.450 ( -3.109 0.000 -1.447) 3.429 40.871 ( 1.110 0.000 10.256) 10.316 40.880 ( 1.479 0.000 -8.814) 8.938 41.117 ( 2.949 0.000 14.157) 14.461 41.190 ( -1.734 0.000 -14.815) 14.916 41.759 ( 9.394 0.000 -3.447) 10.006 42.008 ( -14.321 0.000 7.268) 16.060 43.024 ( 0.319 0.000 15.543) 15.546 43.100 ( -5.224 0.000 -17.100) 17.881 43.472 ( 3.878 0.000 -8.082) 8.964 43.505 ( -0.384 0.000 6.558) 6.569 43.836 ( 9.604 0.000 -8.560) 12.865 43.992 ( -5.714 0.000 9.155) 10.792 ======================= Grid point 106 (49/60) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( -3.493 22.018 -14.550) 26.622 0.983 ( 3.493 22.018 14.550) 26.622 1.385 ( 16.436 5.422 -28.452) 33.302 1.385 ( -16.436 5.422 28.452) 33.302 1.833 ( -0.147 -4.376 -26.327) 26.689 1.833 ( 0.147 -4.376 26.327) 26.689 2.193 ( -1.718 -3.101 -5.423) 6.479 2.193 ( 1.718 -3.101 5.423) 6.479 2.392 ( 8.123 -4.514 -3.766) 10.027 2.392 ( -8.123 -4.514 3.766) 10.027 2.813 ( -5.963 1.006 -0.035) 6.047 2.813 ( 5.963 1.006 0.035) 6.047 2.993 ( -1.226 9.924 -5.761) 11.541 2.993 ( 1.226 9.924 5.761) 11.541 3.261 ( -0.969 -3.665 -0.712) 3.857 3.261 ( 0.969 -3.665 0.712) 3.857 3.323 ( 1.093 -4.825 -3.545) 6.087 3.323 ( -1.093 -4.825 3.545) 6.087 3.577 ( -5.709 4.358 -2.003) 7.456 3.577 ( 5.709 4.358 2.003) 7.456 3.629 ( -2.070 0.028 -2.595) 3.319 3.629 ( 2.070 0.028 2.595) 3.319 3.847 ( -0.300 -4.102 -4.149) 5.842 3.847 ( 0.300 -4.102 4.149) 5.842 4.052 ( 0.325 0.633 -2.814) 2.902 4.052 ( -0.325 0.633 2.814) 2.902 4.240 ( 0.153 -4.730 -0.491) 4.758 4.240 ( -0.153 -4.730 0.491) 4.758 4.321 ( -1.792 -2.191 -8.719) 9.167 4.321 ( 1.792 -2.191 8.719) 9.167 4.435 ( -3.881 0.667 -0.803) 4.019 4.435 ( 3.881 0.667 0.803) 4.019 4.533 ( -4.210 0.421 -2.241) 4.788 4.533 ( 4.210 0.421 2.241) 4.788 4.594 ( 0.845 3.914 -0.939) 4.113 4.594 ( -0.845 3.914 0.939) 4.113 4.760 ( 1.658 4.256 -2.283) 5.107 4.760 ( -1.658 4.256 2.283) 5.107 4.979 ( 0.683 -8.795 -4.000) 9.686 4.979 ( -0.683 -8.795 4.000) 9.686 5.422 ( 0.388 3.275 -3.833) 5.057 5.422 ( -0.388 3.275 3.833) 5.057 5.577 ( 1.610 5.384 -4.160) 6.992 5.577 ( -1.610 5.384 4.160) 6.992 5.723 ( -3.966 2.928 -0.415) 4.947 5.723 ( 3.966 2.928 0.415) 4.947 5.868 ( -1.257 -2.397 -1.231) 2.973 5.868 ( 1.257 -2.397 1.231) 2.973 6.358 ( 2.484 1.405 -2.225) 3.618 6.358 ( -2.484 1.405 2.225) 3.618 6.567 ( -7.538 4.035 -4.014) 9.445 6.567 ( 7.538 4.035 4.014) 9.445 6.629 ( -2.585 3.184 -3.876) 5.643 6.629 ( 2.585 3.184 3.876) 5.643 7.137 ( -5.502 -5.383 -5.854) 9.670 7.137 ( 5.502 -5.383 5.854) 9.670 7.508 ( 3.154 3.102 -7.316) 8.550 7.508 ( -3.154 3.102 7.316) 8.550 7.630 ( 1.764 1.335 -11.939) 12.142 7.630 ( -1.764 1.335 11.939) 12.142 8.365 ( 1.624 -0.055 -2.362) 2.866 8.365 ( -1.624 -0.055 2.362) 2.866 8.785 ( -0.005 -5.610 -1.546) 5.819 8.785 ( 0.005 -5.610 1.546) 5.819 9.498 ( -2.463 0.985 -0.715) 2.747 9.498 ( 2.463 0.985 0.715) 2.747 9.540 ( -2.006 -0.041 0.106) 2.009 9.540 ( 2.006 -0.041 -0.106) 2.009 10.167 ( -0.746 0.598 -0.824) 1.262 10.167 ( 0.746 0.598 0.824) 1.262 10.300 ( -2.309 -1.292 -0.414) 2.678 10.300 ( 2.309 -1.292 0.414) 2.678 11.142 ( -0.340 8.265 -1.467) 8.401 11.142 ( 0.340 8.265 1.467) 8.401 11.701 ( 0.666 0.151 -3.484) 3.550 11.701 ( -0.666 0.151 3.484) 3.550 12.150 ( -0.241 -2.262 -0.964) 2.470 12.150 ( 0.241 -2.262 0.964) 2.470 12.580 ( 1.322 -2.465 -3.632) 4.585 12.580 ( -1.322 -2.465 3.632) 4.585 12.804 ( -0.375 -2.452 -0.988) 2.670 12.804 ( 0.375 -2.452 0.988) 2.670 13.115 ( -0.249 -11.065 -0.115) 11.068 13.115 ( 0.249 -11.065 0.115) 11.068 13.825 ( -0.370 13.171 -0.455) 13.184 13.825 ( 0.370 13.171 0.455) 13.184 14.449 ( -1.364 -1.004 -0.273) 1.716 14.449 ( 1.364 -1.004 0.273) 1.716 14.656 ( 0.589 -1.101 -4.036) 4.224 14.656 ( -0.589 -1.101 4.036) 4.224 14.936 ( 0.343 -2.873 -1.695) 3.353 14.936 ( -0.343 -2.873 1.695) 3.353 16.007 ( 0.306 0.849 -0.564) 1.064 16.007 ( -0.306 0.849 0.564) 1.064 16.261 ( -3.372 -4.175 -1.826) 5.668 16.261 ( 3.372 -4.175 1.826) 5.668 16.371 ( -4.683 6.960 -0.742) 8.422 16.371 ( 4.683 6.960 0.742) 8.422 16.874 ( -1.873 6.880 -1.331) 7.253 16.874 ( 1.873 6.880 1.331) 7.253 17.681 ( -2.335 4.998 0.197) 5.520 17.681 ( 2.335 4.998 -0.197) 5.520 18.187 ( -0.719 -2.100 -0.228) 2.231 18.187 ( 0.719 -2.100 0.228) 2.231 18.656 ( -0.982 -3.436 -1.198) 3.769 18.656 ( 0.982 -3.436 1.198) 3.769 19.189 ( -0.892 -5.378 -0.665) 5.492 19.189 ( 0.892 -5.378 0.665) 5.492 19.541 ( -0.568 0.759 -0.020) 0.948 19.541 ( 0.568 0.759 0.020) 0.948 19.925 ( -0.212 -3.485 -1.467) 3.787 19.925 ( 0.212 -3.485 1.467) 3.787 20.085 ( 0.349 0.295 -1.547) 1.613 20.085 ( -0.349 0.295 1.547) 1.613 20.237 ( -0.906 -4.974 -0.375) 5.070 20.237 ( 0.906 -4.974 0.375) 5.070 20.462 ( -0.734 1.971 -2.558) 3.312 20.462 ( 0.734 1.971 2.558) 3.312 21.031 ( -1.144 2.301 -0.363) 2.595 21.031 ( 1.144 2.301 0.363) 2.595 21.402 ( -3.312 4.322 0.992) 5.535 21.402 ( 3.312 4.322 -0.992) 5.535 21.576 ( -1.912 0.195 -0.222) 1.935 21.576 ( 1.912 0.195 0.222) 1.935 21.781 ( -0.079 1.951 -1.127) 2.255 21.781 ( 0.079 1.951 1.127) 2.255 22.039 ( -0.317 -0.796 -1.094) 1.390 22.039 ( 0.317 -0.796 1.094) 1.390 22.342 ( -1.889 1.984 -1.671) 3.209 22.342 ( 1.889 1.984 1.671) 3.209 23.186 ( -2.110 -17.231 -0.348) 17.363 23.186 ( 2.110 -17.231 0.348) 17.363 24.504 ( -0.190 17.730 -2.408) 17.893 24.504 ( 0.190 17.730 2.408) 17.893 25.289 ( -1.886 -0.318 -2.133) 2.865 25.289 ( 1.886 -0.318 2.133) 2.865 26.245 ( -0.137 -1.294 -1.941) 2.337 26.245 ( 0.137 -1.294 1.941) 2.337 26.483 ( 0.939 -5.513 -2.756) 6.235 26.483 ( -0.939 -5.513 2.756) 6.235 26.796 ( -1.969 5.809 -3.137) 6.889 26.796 ( 1.969 5.809 3.137) 6.889 27.047 ( 0.954 -0.383 -1.740) 2.021 27.047 ( -0.954 -0.383 1.740) 2.021 27.370 ( -2.730 8.813 0.392) 9.235 27.370 ( 2.730 8.813 -0.392) 9.235 28.208 ( -2.340 0.745 -2.574) 3.558 28.208 ( 2.340 0.745 2.574) 3.558 28.574 ( -1.340 1.873 -0.507) 2.358 28.574 ( 1.340 1.873 0.507) 2.358 28.688 ( -7.179 9.126 -6.757) 13.434 28.688 ( 7.179 9.126 6.757) 13.434 29.664 ( -0.099 0.605 -1.433) 1.559 29.664 ( 0.099 0.605 1.433) 1.559 30.659 ( 4.477 -14.640 -5.636) 16.314 30.659 ( -4.477 -14.640 5.636) 16.314 31.869 ( -1.727 -0.491 -0.244) 1.812 31.869 ( 1.727 -0.491 0.244) 1.812 31.909 ( -2.835 -0.743 -0.723) 3.018 31.909 ( 2.835 -0.743 0.723) 3.018 32.785 ( 2.188 -0.418 -6.271) 6.655 32.785 ( -2.188 -0.418 6.271) 6.655 33.089 ( 0.608 -7.321 -5.128) 8.959 33.089 ( -0.608 -7.321 5.128) 8.959 33.809 ( -5.157 1.825 -5.805) 7.976 33.809 ( 5.157 1.825 5.805) 7.976 34.160 ( -3.494 5.981 -0.074) 6.927 34.160 ( 3.494 5.981 0.074) 6.927 36.766 ( -0.012 0.335 -1.283) 1.326 36.766 ( 0.012 0.335 1.283) 1.326 37.088 ( -3.657 0.355 -1.483) 3.962 37.088 ( 3.657 0.355 1.483) 3.962 39.343 ( -2.229 -1.530 -0.808) 2.822 39.343 ( 2.229 -1.530 0.808) 2.822 39.601 ( -13.984 -2.910 -1.424) 14.355 39.601 ( 13.984 -2.910 1.424) 14.355 39.961 ( -6.472 3.401 -4.562) 8.617 39.961 ( 6.472 3.401 4.562) 8.617 40.457 ( -7.721 0.076 -5.996) 9.776 40.457 ( 7.721 0.076 5.996) 9.776 40.822 ( 1.039 0.530 -4.073) 4.237 40.822 ( -1.039 0.530 4.073) 4.237 41.039 ( 5.291 -1.644 -12.582) 13.748 41.039 ( -5.291 -1.644 12.582) 13.748 42.341 ( 10.593 -2.729 -11.788) 16.082 42.341 ( -10.593 -2.729 11.788) 16.082 43.035 ( -9.196 -10.495 -1.105) 13.997 43.035 ( 9.196 -10.495 1.105) 13.997 43.206 ( 6.393 -5.692 -4.684) 9.757 43.206 ( -6.393 -5.692 4.684) 9.757 43.702 ( -7.985 -22.288 -13.305) 27.157 43.702 ( 7.985 -22.288 13.305) 27.157 ======================= Grid point 108 (50/60) ======================= q-point: ( 0.14 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 11.266 19.118 -10.702) 24.637 1.225 ( 14.316 13.648 12.218) 23.249 1.356 ( 13.981 7.898 22.669) 27.780 1.586 ( 8.559 1.191 -23.339) 24.888 2.105 ( 6.505 -6.290 3.888) 9.849 2.241 ( 7.874 -2.522 3.350) 8.921 2.306 ( 8.343 -2.670 -4.790) 9.984 2.385 ( 27.186 -4.106 -5.012) 27.947 2.413 ( 23.918 -1.862 5.362) 24.583 2.533 ( 5.055 5.110 4.427) 8.442 2.787 ( 5.095 -0.032 -3.066) 5.947 2.900 ( 1.641 -0.016 -3.100) 3.508 3.000 ( 0.399 1.387 2.696) 3.058 3.098 ( 6.926 4.319 -0.329) 8.169 3.266 ( 1.680 -3.931 -0.265) 4.283 3.298 ( 3.866 1.041 -3.099) 5.063 3.394 ( 2.415 -0.941 0.994) 2.776 3.440 ( 6.009 -6.671 0.117) 8.979 3.543 ( 6.361 0.113 -2.149) 6.715 3.606 ( -0.374 0.770 4.619) 4.697 3.688 ( 6.418 -1.591 0.057) 6.613 3.840 ( 8.175 -1.909 -2.870) 8.872 3.846 ( 1.051 1.138 4.588) 4.843 3.864 ( 4.065 1.142 -1.596) 4.513 4.031 ( -0.181 -0.020 -2.998) 3.004 4.035 ( -1.999 -5.883 -4.234) 7.519 4.190 ( -2.949 -4.109 0.225) 5.062 4.216 ( -2.720 -0.920 2.396) 3.740 4.260 ( -0.541 -0.537 -0.517) 0.921 4.354 ( -3.281 0.958 1.861) 3.892 4.385 ( 1.166 -1.033 1.752) 2.344 4.430 ( -2.592 -0.098 0.265) 2.607 4.471 ( -1.812 2.058 3.063) 4.111 4.567 ( 1.191 -2.374 2.266) 3.492 4.602 ( -0.273 4.415 -3.260) 5.495 4.715 ( 1.908 4.713 0.808) 5.148 4.765 ( 6.362 -0.830 1.780) 6.658 4.838 ( 5.276 -0.633 2.517) 5.880 4.959 ( 3.770 -2.433 -1.573) 4.754 5.015 ( 2.156 -3.440 -2.003) 4.527 5.436 ( 1.562 4.214 -1.679) 4.798 5.447 ( -1.369 0.759 0.659) 1.698 5.608 ( 0.947 4.794 -0.453) 4.908 5.650 ( 0.945 1.591 -3.277) 3.763 5.704 ( 6.708 6.500 -3.111) 9.845 5.753 ( -0.126 -1.419 1.719) 2.232 5.797 ( 0.192 -0.083 0.162) 0.265 5.932 ( 5.679 8.636 -1.940) 10.517 6.346 ( 1.555 -0.931 1.240) 2.196 6.436 ( 3.151 3.185 1.520) 4.731 6.536 ( 4.609 4.779 3.872) 7.686 6.586 ( 3.854 5.101 -2.824) 6.990 6.715 ( 6.774 2.454 5.516) 9.074 6.798 ( 7.877 -3.974 0.385) 8.831 7.091 ( -0.972 -4.089 -8.586) 9.560 7.209 ( 4.242 -4.285 -4.811) 7.714 7.374 ( -9.259 4.969 6.319) 12.262 7.493 ( -5.032 0.751 11.743) 12.798 7.663 ( 8.555 -0.450 -1.618) 8.718 7.701 ( 3.576 -2.512 -5.373) 6.926 8.305 ( -2.372 1.446 -0.841) 2.903 8.375 ( 1.659 0.413 -4.438) 4.756 8.775 ( -2.015 -4.797 1.921) 5.546 8.805 ( 1.511 -5.591 1.937) 6.107 9.464 ( -0.218 0.525 -0.238) 0.616 9.500 ( -0.347 0.409 -0.506) 0.737 9.574 ( 2.645 -0.774 1.006) 2.934 9.590 ( 1.629 -0.330 -0.963) 1.921 10.169 ( 1.246 0.555 -0.528) 1.462 10.211 ( 3.240 0.855 0.479) 3.385 10.289 ( 1.196 -0.671 -0.762) 1.569 10.376 ( 4.101 -1.227 1.001) 4.396 11.119 ( -1.248 7.488 -0.820) 7.636 11.146 ( -0.280 8.683 0.685) 8.714 11.630 ( -6.315 0.393 3.307) 7.139 11.650 ( -5.217 0.589 -2.721) 5.913 12.065 ( -7.462 -2.476 -0.331) 7.869 12.074 ( -7.576 -1.690 0.141) 7.763 12.513 ( -4.202 -2.016 2.265) 5.182 12.556 ( -2.719 -2.803 -3.364) 5.155 12.834 ( 3.218 -3.252 -0.174) 4.578 12.862 ( 3.647 -2.604 0.623) 4.524 13.105 ( -0.584 -10.546 -0.118) 10.563 13.118 ( -0.052 -11.393 0.026) 11.393 13.717 ( -9.629 13.179 -0.624) 16.334 13.726 ( -9.716 12.886 0.786) 16.158 14.421 ( -0.787 -0.597 -1.121) 1.494 14.462 ( -0.602 -1.190 0.014) 1.334 14.589 ( -5.644 -0.946 2.788) 6.366 14.610 ( -4.395 -1.427 -2.095) 5.073 14.764 ( -12.544 -2.702 0.414) 12.838 14.787 ( -11.681 -1.760 -0.151) 11.813 15.945 ( -15.192 3.960 1.102) 15.739 15.979 ( -15.090 4.712 -0.754) 15.827 16.138 ( 6.493 0.867 0.749) 6.593 16.176 ( 7.352 0.707 -0.594) 7.410 16.654 ( 19.158 -4.193 0.358) 19.614 16.681 ( 18.145 -2.996 -0.891) 18.412 16.988 ( 12.221 4.018 -0.489) 12.874 17.057 ( 13.449 5.160 0.182) 14.406 17.427 ( -14.681 8.612 0.303) 17.023 17.497 ( -14.661 8.260 -0.305) 16.830 18.254 ( 6.895 -0.451 -0.359) 6.919 18.270 ( 6.661 -2.368 0.516) 7.089 18.703 ( 4.210 -4.941 -0.971) 6.563 18.739 ( 3.897 -4.200 0.772) 5.781 19.211 ( 2.194 -4.431 -0.120) 4.946 19.246 ( 1.855 -4.483 -0.066) 4.852 19.547 ( 1.358 0.392 -0.224) 1.431 19.561 ( 1.224 0.477 0.223) 1.332 19.861 ( -4.250 -1.543 0.230) 4.527 19.873 ( -3.523 -1.960 -0.018) 4.032 20.132 ( 3.446 -1.233 -0.366) 3.678 20.152 ( 1.983 -0.780 0.192) 2.140 20.203 ( -3.110 -2.986 0.752) 4.376 20.207 ( -1.040 -2.821 -0.404) 3.034 20.428 ( -0.715 1.321 -0.245) 1.522 20.462 ( -1.517 0.858 0.026) 1.743 21.024 ( 0.045 2.060 0.237) 2.074 21.060 ( 0.747 1.074 -0.112) 1.314 21.129 ( -17.669 6.083 1.103) 18.719 21.212 ( -14.896 6.349 -0.073) 16.193 21.641 ( 2.168 -2.391 0.202) 3.234 21.696 ( 3.174 -1.345 0.130) 3.450 21.764 ( -1.744 1.899 -0.602) 2.648 21.769 ( -2.232 2.514 0.400) 3.386 21.994 ( -3.592 -0.172 -0.881) 3.703 22.000 ( -4.577 -0.249 1.284) 4.760 22.162 ( -10.027 0.377 -1.070) 10.091 22.204 ( -11.094 1.092 0.961) 11.189 22.874 ( -21.196 -19.936 -0.420) 29.102 22.957 ( -21.265 -18.560 -1.597) 28.270 24.517 ( 5.624 19.905 -0.922) 20.705 24.545 ( 5.322 20.789 1.080) 21.486 25.593 ( 22.183 -1.221 -1.079) 22.243 25.641 ( 21.144 -3.301 1.828) 21.478 26.228 ( 0.379 -2.089 1.712) 2.727 26.246 ( 1.550 -0.639 -0.519) 1.755 26.494 ( 1.989 -0.523 -1.110) 2.337 26.530 ( 1.723 -1.880 -0.534) 2.605 26.772 ( 1.856 5.650 -1.044) 6.038 26.838 ( 1.627 0.515 1.088) 2.024 27.042 ( 0.160 -0.816 1.495) 1.710 27.103 ( 1.950 0.651 -1.294) 2.429 27.361 ( 3.426 10.293 1.404) 10.939 27.513 ( 4.650 3.880 0.589) 6.085 28.196 ( 3.915 -3.115 2.373) 5.537 28.290 ( 3.325 1.050 -1.813) 3.931 28.620 ( 6.163 2.000 0.831) 6.533 28.694 ( 6.706 4.062 -1.067) 7.913 28.766 ( 13.059 3.481 -5.658) 14.652 29.085 ( 22.589 4.384 18.036) 29.237 29.702 ( 4.993 2.114 -0.151) 5.424 29.716 ( 5.288 1.987 0.102) 5.650 30.397 ( -7.086 -5.621 -4.093) 9.928 30.868 ( 6.297 -14.343 -9.112) 18.122 31.714 ( -12.394 0.685 -0.758) 12.436 31.768 ( -10.187 -2.862 -3.787) 11.239 31.798 ( -7.983 -0.811 1.615) 8.185 31.917 ( -2.647 -1.733 1.504) 3.503 32.737 ( -2.259 0.954 4.967) 5.539 32.801 ( -0.245 -0.442 -4.757) 4.784 33.069 ( -0.665 -5.292 -4.481) 6.966 33.092 ( 0.899 -5.509 2.408) 6.079 33.698 ( -3.515 0.319 -2.863) 4.544 33.912 ( 3.128 0.754 4.743) 5.732 34.026 ( -7.308 3.111 -1.304) 8.049 34.184 ( -1.336 4.537 -0.036) 4.729 36.807 ( 3.907 0.764 0.076) 3.982 36.831 ( 4.814 1.954 -0.047) 5.196 37.162 ( 10.464 -3.126 0.880) 10.957 37.372 ( 16.410 -3.435 6.184) 17.870 39.145 ( -12.771 -2.613 -8.176) 15.387 39.339 ( -3.456 -1.829 -2.416) 4.596 39.425 ( 1.969 2.551 -0.057) 3.223 39.720 ( -0.200 0.924 -4.766) 4.859 39.920 ( 0.791 4.849 0.429) 4.932 40.191 ( -8.131 1.861 -3.859) 9.190 40.286 ( 10.802 -4.903 -2.210) 12.066 40.575 ( 0.874 1.372 0.380) 1.671 40.776 ( -1.505 -0.335 4.084) 4.365 40.863 ( 0.882 0.979 -0.424) 1.384 40.974 ( -1.194 -2.841 11.823) 12.218 41.138 ( 4.648 -1.053 -12.077) 12.983 41.873 ( -16.042 5.101 14.991) 22.541 42.658 ( -9.560 -1.571 10.692) 14.429 42.903 ( 8.368 -11.855 -9.885) 17.557 43.040 ( -2.180 -11.572 2.862) 12.119 43.219 ( 1.735 -15.299 -8.977) 17.823 43.360 ( 4.517 -3.133 1.496) 5.697 43.511 ( -1.064 -10.834 -9.255) 14.289 43.887 ( 6.163 -14.186 6.217) 16.670 ======================= Grid point 109 (51/60) ======================= q-point: ( 0.29 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 16.460 11.940 -9.112) 22.282 1.616 ( 18.532 6.095 10.649) 22.226 1.826 ( 15.837 2.440 -10.059) 18.919 1.866 ( 25.298 6.913 6.527) 27.025 2.152 ( 0.688 -5.153 4.255) 6.718 2.302 ( 2.330 2.233 0.693) 3.301 2.439 ( 5.723 -2.605 -5.573) 8.402 2.538 ( 1.331 6.923 4.728) 8.488 2.764 ( 3.774 -4.967 -5.401) 8.251 2.878 ( 5.280 -7.279 -1.494) 9.116 2.924 ( 4.153 -4.673 2.136) 6.606 3.022 ( 2.398 -0.178 1.086) 2.639 3.088 ( 14.973 -4.937 0.059) 15.766 3.152 ( -0.070 -1.023 -1.517) 1.831 3.344 ( 1.228 -1.814 0.192) 2.199 3.408 ( -1.130 -0.829 0.469) 1.478 3.482 ( 2.346 -1.740 1.891) 3.479 3.535 ( 10.542 2.122 -2.491) 11.038 3.620 ( 7.323 0.879 2.378) 7.750 3.698 ( 1.497 -2.486 2.976) 4.156 3.756 ( -1.385 -3.106 -7.465) 8.203 3.807 ( 7.739 1.209 -0.546) 7.852 3.973 ( -1.612 -0.308 -4.506) 4.796 3.982 ( -2.832 -0.213 1.695) 3.308 4.010 ( 3.593 -1.472 0.713) 3.948 4.068 ( 6.881 -0.614 2.763) 7.441 4.156 ( 0.568 2.161 -1.045) 2.466 4.210 ( 0.371 2.028 1.421) 2.503 4.264 ( -4.246 -2.403 5.811) 7.587 4.310 ( 0.830 -0.493 -1.428) 1.724 4.349 ( -0.547 -0.016 1.465) 1.564 4.417 ( -2.272 1.841 3.337) 4.437 4.460 ( 6.089 -2.784 -4.526) 8.081 4.572 ( -1.495 2.483 -0.950) 3.050 4.613 ( 1.906 -2.099 1.038) 3.020 4.755 ( 1.708 2.005 0.059) 2.634 4.858 ( 2.746 1.779 2.431) 4.076 4.936 ( 1.011 0.315 3.416) 3.576 5.041 ( 5.508 0.229 -3.467) 6.513 5.151 ( 3.019 1.701 1.079) 3.629 5.299 ( -2.521 -1.666 -0.366) 3.044 5.429 ( -7.274 0.206 -1.823) 7.502 5.626 ( -2.235 0.300 3.516) 4.177 5.680 ( 1.648 6.670 -1.584) 7.051 5.692 ( -0.771 0.646 -0.680) 1.214 5.803 ( 6.304 5.381 -1.942) 8.512 6.078 ( 11.370 3.931 -1.227) 12.093 6.111 ( 16.768 0.655 4.891) 17.479 6.390 ( 0.460 2.335 -1.886) 3.037 6.527 ( -1.357 6.635 -0.026) 6.772 6.659 ( -2.859 1.428 -1.378) 3.481 6.736 ( 9.290 2.509 -1.866) 9.802 6.860 ( 6.828 -1.162 -3.329) 7.685 6.972 ( 9.639 2.043 -5.240) 11.160 7.100 ( 8.009 1.637 0.182) 8.177 7.145 ( -0.295 0.419 4.266) 4.296 7.436 ( 6.882 -1.016 0.348) 6.965 7.481 ( 7.518 0.605 4.656) 8.864 7.861 ( 13.029 -4.945 0.215) 13.937 7.878 ( 13.070 -4.250 0.535) 13.754 8.354 ( 9.250 1.284 -2.865) 9.768 8.495 ( 10.075 -1.517 -3.765) 10.862 8.693 ( -5.470 -2.796 3.150) 6.904 8.834 ( 0.681 -5.122 3.516) 6.250 9.469 ( -0.006 -1.197 -0.902) 1.499 9.510 ( 1.054 -0.321 -1.287) 1.694 9.575 ( -3.044 -1.290 -1.310) 3.556 9.601 ( -0.955 -0.854 1.542) 2.005 10.215 ( 2.807 0.733 -0.269) 2.914 10.293 ( 3.801 0.902 0.379) 3.925 10.331 ( 2.352 0.862 -0.744) 2.613 10.444 ( 1.235 0.295 1.022) 1.630 11.096 ( -0.434 6.492 -0.261) 6.512 11.141 ( 0.125 7.631 0.835) 7.678 11.449 ( -10.316 1.584 2.200) 10.666 11.479 ( -10.103 1.567 -1.563) 10.343 11.821 ( -15.198 -1.151 0.519) 15.251 11.850 ( -12.730 -1.877 -0.834) 12.895 12.436 ( -2.476 -3.049 1.310) 4.141 12.496 ( -1.864 -3.370 -2.235) 4.453 12.899 ( 1.651 -5.212 -0.053) 5.468 12.931 ( 1.625 -4.311 0.286) 4.616 13.087 ( -1.098 -9.759 -0.356) 9.827 13.112 ( -0.417 -10.847 0.206) 10.857 13.435 ( -14.533 13.515 0.406) 19.850 13.458 ( -13.465 13.520 -0.462) 19.087 14.377 ( -10.014 -3.332 0.390) 10.562 14.395 ( -8.517 -3.753 -0.231) 9.310 14.425 ( -4.378 0.684 -1.708) 4.749 14.469 ( -5.940 0.181 0.486) 5.963 14.546 ( -5.722 -1.180 1.689) 6.082 14.567 ( -6.443 -0.724 -0.719) 6.523 15.700 ( -5.840 4.498 0.758) 7.410 15.734 ( -5.980 5.026 -0.683) 7.841 16.125 ( -8.102 -0.648 0.412) 8.138 16.180 ( -7.416 -0.862 -0.370) 7.475 16.911 ( -3.172 3.848 0.396) 5.002 16.978 ( -0.053 4.067 -0.643) 4.118 17.259 ( 15.338 -0.524 0.072) 15.347 17.302 ( 20.460 -3.111 -1.018) 20.720 17.481 ( 20.054 7.584 0.273) 21.442 17.560 ( 20.834 6.635 0.501) 21.871 18.429 ( 8.159 -3.107 0.439) 8.741 18.444 ( 9.175 -1.593 -0.671) 9.336 18.792 ( 4.850 -6.625 -0.177) 8.212 18.831 ( 5.854 -4.201 0.434) 7.219 19.222 ( -1.198 -3.114 -0.095) 3.338 19.244 ( -0.827 -2.265 0.027) 2.411 19.573 ( -0.812 -0.700 -0.553) 1.206 19.576 ( 0.406 0.624 0.278) 0.794 19.768 ( -4.101 2.648 1.641) 5.150 19.797 ( -3.189 0.994 -1.491) 3.657 20.063 ( -6.955 -0.505 0.853) 7.025 20.111 ( -7.261 -0.199 -0.837) 7.312 20.198 ( 1.858 -1.680 -0.430) 2.542 20.233 ( -0.099 -0.765 0.443) 0.890 20.389 ( -6.306 -2.236 -0.540) 6.713 20.438 ( -0.018 0.631 -0.281) 0.691 20.667 ( -21.264 6.275 1.666) 22.233 20.780 ( -20.124 6.412 -0.146) 21.122 21.070 ( 2.129 1.052 0.720) 2.482 21.108 ( 1.651 1.957 -0.732) 2.663 21.563 ( -9.962 -2.097 -0.115) 10.181 21.598 ( -11.414 -1.560 0.077) 11.521 21.714 ( -2.425 -1.128 0.416) 2.707 21.738 ( -1.582 0.535 -0.119) 1.674 21.830 ( -8.152 -2.170 0.171) 8.437 21.880 ( -8.209 -1.548 -0.805) 8.392 22.030 ( -2.107 0.111 1.024) 2.345 22.045 ( -1.380 0.527 -0.581) 1.588 22.518 ( -9.601 -18.729 1.255) 21.084 22.557 ( -11.934 -18.156 -1.242) 21.762 24.647 ( 5.176 20.875 -1.721) 21.575 24.684 ( 5.082 20.133 1.748) 20.838 25.995 ( 12.667 -2.851 1.634) 13.086 26.002 ( 12.833 -3.146 -0.932) 13.246 26.291 ( 3.634 -1.625 0.815) 4.063 26.326 ( 3.860 0.562 -0.722) 3.967 26.536 ( 4.842 2.307 -0.725) 5.413 26.594 ( 5.225 4.057 0.009) 6.615 26.852 ( 4.230 -0.342 0.642) 4.292 26.874 ( 1.670 -2.772 0.062) 3.237 27.039 ( -0.438 -0.688 2.352) 2.489 27.122 ( -0.337 0.671 -2.719) 2.821 27.428 ( 1.166 10.736 0.994) 10.845 27.515 ( -3.481 5.498 -1.695) 6.724 28.309 ( 4.490 -4.085 2.948) 6.748 28.357 ( 2.991 -1.561 -2.754) 4.356 28.818 ( 11.203 2.300 0.588) 11.452 28.900 ( 11.994 2.400 -0.091) 12.232 29.031 ( 10.549 1.266 -5.813) 12.111 29.379 ( 2.798 -4.153 9.596) 10.824 29.925 ( 15.199 3.117 0.201) 15.517 29.984 ( 19.310 7.527 6.396) 21.689 30.428 ( 9.700 -1.280 -5.446) 11.198 30.938 ( 1.372 -6.766 -2.199) 7.245 31.382 ( -17.652 0.952 -0.408) 17.683 31.491 ( -14.527 -2.712 -5.670) 15.828 31.558 ( -13.099 -3.548 -0.464) 13.579 31.779 ( -10.441 -4.073 3.836) 11.846 32.726 ( 0.691 1.587 2.120) 2.737 32.782 ( -0.435 0.946 -1.993) 2.249 33.077 ( 2.086 -3.213 -6.012) 7.128 33.137 ( 2.125 -6.084 3.837) 7.501 33.649 ( -1.084 -1.114 -0.712) 1.710 33.856 ( -7.238 2.299 -1.345) 7.713 33.977 ( 2.105 -2.268 2.285) 3.847 34.136 ( -2.709 1.419 0.057) 3.059 36.913 ( 5.463 1.658 0.386) 5.722 36.943 ( 5.177 3.381 -0.311) 6.191 37.415 ( 11.455 -5.361 0.138) 12.648 37.649 ( 7.466 -6.519 4.751) 10.991 38.976 ( -2.498 -0.456 -1.846) 3.140 39.243 ( -5.777 -3.073 -3.102) 7.241 39.469 ( 1.538 1.227 -0.317) 1.993 39.664 ( -4.682 1.402 -1.874) 5.234 39.935 ( 0.832 5.108 0.574) 5.207 40.033 ( -2.190 9.118 -2.213) 9.635 40.454 ( 1.701 -3.670 -1.253) 4.234 40.541 ( -2.005 1.968 -4.463) 5.274 40.748 ( -0.647 -2.970 5.901) 6.638 40.882 ( 0.843 1.040 0.859) 1.591 41.016 ( 2.937 -2.163 10.272) 10.900 41.187 ( 1.126 -1.919 -12.236) 12.437 41.728 ( 0.067 7.427 5.466) 9.221 42.350 ( -15.797 0.682 6.915) 17.258 42.889 ( -3.445 -13.438 12.669) 18.788 43.032 ( -5.803 -21.154 -16.794) 27.626 43.302 ( 9.977 -2.811 -8.547) 13.435 43.446 ( 3.233 -2.008 2.752) 4.696 43.629 ( 8.880 -1.726 -4.379) 10.050 43.978 ( 1.433 -7.041 6.365) 9.599 ======================= Grid point 110 (52/60) ======================= q-point: ( 0.43 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 15.263 6.966 -6.805) 18.105 1.901 ( -0.821 7.451 1.356) 7.618 2.022 ( 6.229 -2.848 6.930) 9.744 2.142 ( 0.740 -0.676 -1.727) 1.997 2.284 ( 9.641 4.984 3.874) 11.524 2.409 ( 0.229 5.754 -0.945) 5.836 2.478 ( 6.511 -6.309 -1.814) 9.246 2.678 ( -7.717 -4.301 -0.625) 8.857 2.772 ( 17.079 0.220 -0.182) 17.081 2.951 ( 0.045 -6.975 -0.556) 6.998 2.977 ( 1.924 -6.750 -3.285) 7.750 3.039 ( -4.908 -6.319 4.740) 9.300 3.094 ( 2.649 2.316 -3.401) 4.894 3.218 ( -5.049 -3.565 -2.239) 6.574 3.353 ( 1.326 1.463 0.055) 1.975 3.378 ( -0.551 0.504 -0.905) 1.173 3.497 ( 2.670 -0.314 4.241) 5.022 3.621 ( -4.735 -0.958 2.069) 5.256 3.676 ( 2.359 0.859 -6.214) 6.702 3.744 ( -2.782 -0.543 4.979) 5.729 3.834 ( 1.332 -0.239 1.758) 2.219 3.888 ( 2.899 0.610 -3.271) 4.413 3.940 ( 3.283 1.408 -0.696) 3.640 4.009 ( 5.060 -0.615 -3.075) 5.953 4.081 ( 5.630 -4.469 -0.780) 7.230 4.136 ( -3.891 -0.454 4.806) 6.200 4.154 ( 0.643 1.459 -1.569) 2.237 4.237 ( -1.008 2.545 4.022) 4.865 4.275 ( -0.840 7.558 -3.734) 8.472 4.286 ( 5.403 2.141 -1.561) 6.018 4.325 ( -0.663 -3.442 1.422) 3.782 4.402 ( -2.109 -1.484 4.295) 5.010 4.531 ( -0.184 1.555 -0.805) 1.760 4.581 ( 1.089 -2.674 -3.300) 4.385 4.658 ( 0.575 -2.106 -0.514) 2.242 4.711 ( -3.737 1.763 1.606) 4.433 4.927 ( -0.470 0.147 4.715) 4.741 4.929 ( 1.854 0.093 -3.267) 3.758 5.086 ( 0.908 3.442 1.298) 3.789 5.182 ( 1.538 -1.575 0.020) 2.202 5.254 ( -4.014 -0.632 -3.544) 5.392 5.316 ( -3.628 1.446 4.268) 5.785 5.529 ( 0.751 -0.181 0.239) 0.808 5.604 ( -4.864 -0.654 -1.544) 5.145 5.899 ( 11.881 5.308 5.272) 14.040 5.994 ( 7.225 3.290 -0.523) 7.956 6.297 ( 10.118 5.514 -2.306) 11.751 6.357 ( 0.849 -2.365 -0.434) 2.550 6.386 ( -0.987 2.821 -0.801) 3.094 6.415 ( -3.633 2.244 1.295) 4.462 6.537 ( -1.436 5.135 -4.043) 6.692 6.637 ( -11.689 6.671 0.052) 13.459 6.876 ( -0.381 0.012 2.709) 2.736 6.945 ( -5.654 2.720 -2.967) 6.940 7.388 ( 9.124 -5.590 2.719) 11.040 7.431 ( 5.245 -7.590 -5.196) 10.588 7.633 ( 13.531 5.781 2.476) 14.921 7.724 ( 9.868 6.392 -2.020) 11.930 8.186 ( 17.028 -1.970 0.539) 17.150 8.232 ( 11.142 -2.925 0.613) 11.536 8.563 ( -2.026 -2.054 3.138) 4.263 8.651 ( 4.694 -4.199 0.993) 6.376 8.710 ( 11.918 -3.451 2.072) 12.579 8.903 ( 6.010 -6.828 -5.497) 10.628 9.394 ( -5.125 0.462 0.534) 5.173 9.500 ( -6.520 -0.941 -0.390) 6.599 9.522 ( -0.507 -1.221 1.087) 1.712 9.531 ( -1.441 -0.806 -0.737) 1.808 10.288 ( 4.100 0.375 -0.032) 4.117 10.342 ( 0.353 1.114 0.707) 1.366 10.365 ( 0.437 2.673 0.094) 2.710 10.412 ( -3.531 3.837 -0.781) 5.272 11.120 ( 2.722 5.215 0.102) 5.883 11.150 ( -0.378 3.337 0.628) 3.416 11.261 ( -5.863 2.551 -1.805) 6.644 11.286 ( -4.887 4.563 2.618) 7.180 11.503 ( -10.013 -1.226 -0.498) 10.100 11.567 ( -11.861 -1.135 -0.320) 11.919 12.433 ( 2.103 -5.522 -0.514) 5.931 12.477 ( -0.769 -5.866 0.396) 5.929 12.848 ( -4.250 -2.925 0.692) 5.206 12.878 ( -5.598 -2.986 -0.774) 6.391 13.083 ( 1.140 -8.562 -0.801) 8.675 13.105 ( -0.577 -9.790 0.682) 9.831 13.241 ( -2.623 11.675 -0.146) 11.967 13.259 ( -4.140 11.042 -0.073) 11.793 14.137 ( -6.910 -3.278 0.479) 7.663 14.158 ( -8.417 -3.236 -0.254) 9.021 14.400 ( -0.044 0.352 -2.167) 2.196 14.413 ( -1.484 0.302 1.755) 2.318 14.478 ( -1.328 -0.581 1.585) 2.148 14.486 ( -1.852 -0.491 -1.240) 2.282 15.705 ( 5.341 2.874 0.438) 6.081 15.740 ( 5.924 1.938 -0.556) 6.258 15.894 ( -11.155 0.464 0.123) 11.166 15.946 ( -11.980 -0.568 -0.063) 11.993 16.851 ( -0.591 10.749 1.446) 10.862 16.886 ( -3.556 11.828 -1.551) 12.448 17.643 ( 13.897 -4.371 -0.321) 14.572 17.699 ( 10.510 -3.545 0.351) 11.097 17.870 ( 12.123 0.633 -0.256) 12.143 17.929 ( 8.472 1.492 0.220) 8.605 18.592 ( 6.220 -5.839 0.832) 8.572 18.609 ( 5.225 -5.486 -0.812) 7.619 18.947 ( 7.616 -5.287 -0.352) 9.278 18.977 ( 5.314 -3.782 0.149) 6.524 19.226 ( 4.247 -1.715 -0.120) 4.582 19.282 ( 5.786 -1.713 0.039) 6.034 19.476 ( -6.461 3.685 0.016) 7.438 19.566 ( -3.890 3.255 -0.395) 5.087 19.692 ( -3.237 3.866 2.533) 5.642 19.761 ( -3.395 0.895 -2.241) 4.166 19.892 ( -3.712 3.480 -0.274) 5.095 19.907 ( -4.845 1.893 0.206) 5.205 20.071 ( -14.340 0.322 0.143) 14.345 20.085 ( -16.302 0.626 1.116) 16.352 20.254 ( 0.675 -0.184 -2.452) 2.550 20.287 ( -4.556 0.615 1.240) 4.762 20.513 ( 0.966 1.596 2.866) 3.420 20.552 ( -3.118 2.117 -2.453) 4.497 21.116 ( 1.715 0.620 1.004) 2.082 21.133 ( 0.424 0.830 -0.948) 1.329 21.337 ( -6.761 -4.051 0.714) 7.914 21.349 ( -7.776 -5.624 -0.668) 9.619 21.659 ( -0.736 -0.537 0.484) 1.032 21.684 ( -2.852 -0.403 -0.418) 2.910 21.770 ( -0.148 -3.022 0.131) 3.028 21.783 ( -1.265 -2.486 -0.239) 2.799 22.031 ( 0.622 0.264 0.728) 0.993 22.040 ( -0.070 0.404 -0.614) 0.738 22.417 ( -1.654 -16.149 1.129) 16.273 22.424 ( -2.315 -16.117 -0.999) 16.313 24.721 ( 2.121 20.696 -0.682) 20.815 24.740 ( 0.449 20.240 0.622) 20.254 26.156 ( 3.666 -4.327 2.285) 6.114 26.172 ( 2.920 -3.843 -1.892) 5.184 26.332 ( 0.767 3.861 0.310) 3.948 26.345 ( -0.460 5.002 -0.434) 5.042 26.727 ( 9.661 -3.220 -1.028) 10.235 26.765 ( 7.969 -1.063 0.810) 8.081 26.899 ( 1.641 -2.169 1.588) 3.149 26.929 ( 2.695 -1.727 -0.729) 3.283 27.006 ( -3.594 -0.057 2.414) 4.329 27.051 ( -6.209 -0.257 -3.403) 7.085 27.414 ( -1.335 11.912 0.906) 12.020 27.428 ( -2.955 10.213 -1.150) 10.694 28.377 ( 1.885 -2.964 1.950) 4.017 28.395 ( 0.573 -2.687 -1.911) 3.346 29.042 ( 8.216 1.594 0.478) 8.383 29.109 ( 3.516 0.501 0.569) 3.597 29.204 ( 8.668 0.302 -4.871) 9.948 29.356 ( -4.722 -2.165 4.423) 6.823 30.298 ( 16.546 3.108 0.157) 16.836 30.369 ( 12.431 6.459 1.043) 14.048 30.723 ( 16.857 -0.722 -0.965) 16.900 30.900 ( -4.614 0.152 2.112) 5.077 31.011 ( -14.819 0.014 1.619) 14.907 31.131 ( -18.530 -0.535 -0.994) 18.564 31.384 ( 0.547 -8.014 -9.347) 12.324 31.530 ( -11.658 -5.962 6.333) 14.545 32.754 ( 1.402 1.523 0.667) 2.175 32.776 ( -0.462 1.456 -0.549) 1.623 33.127 ( 2.780 -4.200 -4.563) 6.796 33.163 ( -0.551 -5.551 3.880) 6.795 33.652 ( 1.487 -0.758 0.616) 1.779 33.721 ( -4.890 0.201 -1.647) 5.164 34.026 ( 2.269 -1.786 1.483) 3.246 34.078 ( -2.546 -0.751 -0.607) 2.723 37.011 ( 3.014 2.640 0.658) 4.061 37.025 ( 1.937 3.396 -0.636) 3.961 37.617 ( 7.094 -5.771 0.677) 9.170 37.710 ( -1.318 -6.233 0.333) 6.380 38.993 ( 3.141 -1.673 3.805) 5.210 39.101 ( -6.245 -3.018 -4.587) 8.316 39.498 ( 1.771 1.936 0.203) 2.631 39.560 ( -4.055 2.635 -0.656) 4.881 39.979 ( 2.697 6.914 0.751) 7.459 40.020 ( -0.629 9.172 -1.359) 9.293 40.440 ( -0.219 1.286 0.735) 1.497 40.478 ( -3.161 2.637 -2.334) 4.732 40.799 ( 3.841 -4.778 3.311) 6.968 40.872 ( -2.100 -1.787 -0.744) 2.856 41.096 ( 2.940 -1.710 11.549) 12.040 41.162 ( -1.702 -2.197 -12.689) 12.989 41.828 ( 8.155 5.836 -1.930) 10.212 42.049 ( -12.752 3.447 5.306) 14.235 42.864 ( -0.363 -14.081 13.527) 19.529 42.910 ( -3.155 -16.317 -15.002) 22.389 43.449 ( 4.239 -1.476 -3.685) 5.807 43.486 ( 0.115 -1.018 2.348) 2.562 43.819 ( 8.743 -2.136 -6.514) 11.110 43.956 ( -4.347 -3.814 7.001) 9.081 ======================= Grid point 114 (53/60) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.367 ( -3.131 12.083 -17.582) 21.562 1.367 ( 3.131 12.083 17.582) 21.562 1.548 ( 9.153 9.001 -20.517) 24.202 1.548 ( -9.153 9.001 20.517) 24.202 1.736 ( -1.203 -4.656 -14.124) 14.920 1.736 ( 1.203 -4.656 14.124) 14.920 2.037 ( 1.806 -10.312 -7.513) 12.885 2.037 ( -1.806 -10.312 7.513) 12.885 2.472 ( -7.796 11.527 -0.611) 13.929 2.472 ( 7.796 11.527 0.611) 13.929 2.855 ( 2.181 4.087 -10.128) 11.137 2.855 ( -2.181 4.087 10.128) 11.137 3.127 ( -0.178 -1.396 -2.034) 2.473 3.127 ( 0.178 -1.396 2.034) 2.473 3.160 ( 1.584 -2.563 -3.185) 4.385 3.160 ( -1.584 -2.563 3.185) 4.385 3.277 ( -2.557 -0.329 -6.468) 6.963 3.277 ( 2.557 -0.329 6.468) 6.963 3.569 ( -3.106 -7.025 -5.400) 9.389 3.569 ( 3.106 -7.025 5.400) 9.389 3.624 ( -3.037 -2.189 -4.701) 6.010 3.624 ( 3.037 -2.189 4.701) 6.010 3.779 ( -1.322 3.438 -0.275) 3.693 3.779 ( 1.322 3.438 0.275) 3.693 4.070 ( 2.337 -0.101 -4.064) 4.690 4.070 ( -2.337 -0.101 4.064) 4.690 4.172 ( 1.579 -1.384 -2.289) 3.106 4.172 ( -1.579 -1.384 2.289) 3.106 4.277 ( -2.119 -1.721 -5.541) 6.177 4.277 ( 2.119 -1.721 5.541) 6.177 4.415 ( -1.948 -2.452 -1.006) 3.289 4.415 ( 1.948 -2.452 1.006) 3.289 4.553 ( -5.033 1.782 -4.608) 7.053 4.553 ( 5.033 1.782 4.608) 7.053 4.648 ( 2.984 0.604 -4.006) 5.032 4.648 ( -2.984 0.604 4.006) 5.032 4.774 ( -1.237 -3.566 -5.724) 6.856 4.774 ( 1.237 -3.566 5.724) 6.856 4.886 ( -3.960 1.048 -0.683) 4.153 4.886 ( 3.960 1.048 0.683) 4.153 5.474 ( 0.277 1.212 -4.863) 5.019 5.474 ( -0.277 1.212 4.863) 5.019 5.688 ( -0.114 4.959 -4.627) 6.783 5.688 ( 0.114 4.959 4.627) 6.783 5.775 ( -2.492 2.420 -2.380) 4.211 5.775 ( 2.492 2.420 2.380) 4.211 5.870 ( -2.997 0.694 -1.611) 3.473 5.870 ( 2.997 0.694 1.611) 3.473 6.404 ( -2.985 2.803 -1.011) 4.218 6.404 ( 2.985 2.803 1.011) 4.218 6.568 ( -6.491 -1.426 -0.352) 6.655 6.568 ( 6.491 -1.426 0.352) 6.655 6.737 ( -1.061 4.770 -1.527) 5.119 6.737 ( 1.061 4.770 1.527) 5.119 7.026 ( -4.963 -4.796 -4.507) 8.243 7.026 ( 4.963 -4.796 4.507) 8.243 7.553 ( 0.723 1.033 -3.759) 3.965 7.553 ( -0.723 1.033 3.759) 3.965 7.661 ( -1.714 1.325 -4.974) 5.425 7.661 ( 1.714 1.325 4.974) 5.425 8.378 ( 1.290 1.520 -3.174) 3.748 8.378 ( -1.290 1.520 3.174) 3.748 8.651 ( 0.220 -6.397 -1.903) 6.677 8.651 ( -0.220 -6.397 1.903) 6.677 9.509 ( -1.907 0.320 -0.751) 2.074 9.509 ( 1.907 0.320 0.751) 2.074 9.544 ( -1.619 0.156 0.043) 1.627 9.544 ( 1.619 0.156 -0.043) 1.627 10.186 ( -0.794 1.277 -1.118) 1.874 10.186 ( 0.794 1.277 1.118) 1.874 10.263 ( -1.780 -2.080 -0.064) 2.738 10.263 ( 1.780 -2.080 0.064) 2.738 11.368 ( -0.919 12.149 -2.438) 12.426 11.368 ( 0.919 12.149 2.438) 12.426 11.697 ( 0.243 -0.863 -3.478) 3.591 11.697 ( -0.243 -0.863 3.478) 3.591 12.117 ( -0.830 -0.012 -2.279) 2.425 12.117 ( 0.830 -0.012 2.279) 2.425 12.463 ( 0.235 -9.500 -3.373) 10.084 12.463 ( -0.235 -9.500 3.373) 10.084 12.764 ( -0.867 -1.003 -1.284) 1.846 12.764 ( 0.867 -1.003 1.284) 1.846 12.878 ( -0.124 -8.763 -0.800) 8.800 12.878 ( 0.124 -8.763 0.800) 8.800 14.126 ( 0.030 13.481 -0.761) 13.502 14.126 ( -0.030 13.481 0.761) 13.502 14.420 ( 0.831 -1.865 -1.460) 2.510 14.420 ( -0.831 -1.865 1.460) 2.510 14.654 ( -0.320 1.355 -4.135) 4.363 14.654 ( 0.320 1.355 4.135) 4.363 14.849 ( 0.046 -5.373 -2.602) 5.971 14.849 ( -0.046 -5.373 2.602) 5.971 16.036 ( 0.415 1.893 -0.825) 2.106 16.036 ( -0.415 1.893 0.825) 2.106 16.175 ( -0.401 -3.750 -1.833) 4.193 16.175 ( 0.401 -3.750 1.833) 4.193 16.569 ( -1.688 11.398 -1.087) 11.573 16.569 ( 1.688 11.398 1.087) 11.573 16.948 ( -2.611 -1.384 -0.904) 3.090 16.948 ( 2.611 -1.384 0.904) 3.090 17.851 ( -1.799 10.300 -0.343) 10.462 17.851 ( 1.799 10.300 0.343) 10.462 18.131 ( -0.747 -3.167 -0.202) 3.260 18.131 ( 0.747 -3.167 0.202) 3.260 18.604 ( -1.526 -0.008 -0.710) 1.683 18.604 ( 1.526 -0.008 0.710) 1.683 18.993 ( -1.066 -12.766 -1.410) 12.888 18.993 ( 1.066 -12.766 1.410) 12.888 19.552 ( 0.421 0.210 -0.349) 0.585 19.552 ( -0.421 0.210 0.349) 0.585 19.890 ( 0.049 0.896 -1.188) 1.489 19.890 ( -0.049 0.896 1.188) 1.489 20.066 ( 1.333 -3.217 -1.447) 3.771 20.066 ( -1.333 -3.217 1.447) 3.771 20.144 ( -0.297 -2.507 -0.415) 2.559 20.144 ( 0.297 -2.507 0.415) 2.559 20.487 ( -0.176 0.615 -1.953) 2.055 20.487 ( 0.176 0.615 1.953) 2.055 21.075 ( -0.745 1.526 -0.492) 1.768 21.075 ( 0.745 1.526 0.492) 1.768 21.490 ( -4.373 3.136 0.983) 5.470 21.490 ( 4.373 3.136 -0.983) 5.470 21.584 ( -4.687 0.620 0.265) 4.735 21.584 ( 4.687 0.620 -0.265) 4.735 21.845 ( -0.270 4.263 -1.473) 4.519 21.845 ( 0.270 4.263 1.473) 4.519 22.011 ( -0.175 -2.029 -1.528) 2.546 22.011 ( 0.175 -2.029 1.528) 2.546 22.399 ( -2.457 3.798 -1.779) 4.861 22.399 ( 2.457 3.798 1.779) 4.861 22.814 ( -3.612 -16.402 -0.673) 16.808 22.814 ( 3.612 -16.402 0.673) 16.808 24.870 ( -0.515 15.582 -2.300) 15.759 24.870 ( 0.515 15.582 2.300) 15.759 25.255 ( -0.650 -3.366 -0.431) 3.456 25.255 ( 0.650 -3.366 0.431) 3.456 26.233 ( 0.672 0.535 -1.690) 1.896 26.233 ( -0.672 0.535 1.690) 1.896 26.371 ( -0.537 -5.148 -2.916) 5.941 26.371 ( 0.537 -5.148 2.916) 5.941 26.886 ( 0.821 2.688 -2.112) 3.516 26.886 ( -0.821 2.688 2.112) 3.516 27.045 ( 0.893 0.148 -1.263) 1.553 27.045 ( -0.893 0.148 1.263) 1.553 27.616 ( 1.697 14.024 -3.978) 14.676 27.616 ( -1.697 14.024 3.978) 14.676 28.145 ( -2.939 -6.733 -4.210) 8.467 28.145 ( 2.939 -6.733 4.210) 8.467 28.628 ( -1.851 3.448 -1.543) 4.207 28.628 ( 1.851 3.448 1.543) 4.207 28.809 ( -5.874 -0.103 -9.986) 11.586 28.809 ( 5.874 -0.103 9.986) 11.586 29.744 ( 0.132 7.260 -3.410) 8.022 29.744 ( -0.132 7.260 3.410) 8.022 30.344 ( 1.242 -13.472 -5.967) 14.786 30.344 ( -1.242 -13.472 5.967) 14.786 31.859 ( -1.162 -0.380 -0.110) 1.227 31.859 ( 1.162 -0.380 0.110) 1.227 31.896 ( -2.659 -0.421 -0.288) 2.707 31.896 ( 2.659 -0.421 0.288) 2.707 32.792 ( 1.405 1.301 -6.686) 6.954 32.792 ( -1.405 1.301 6.686) 6.954 32.946 ( 0.732 -5.955 -7.410) 9.534 32.946 ( -0.732 -5.955 7.410) 9.534 33.856 ( -3.364 2.386 -4.602) 6.180 33.856 ( 3.364 2.386 4.602) 6.180 34.245 ( -3.031 1.927 0.058) 3.592 34.245 ( 3.031 1.927 -0.058) 3.592 36.774 ( -0.051 0.360 -0.747) 0.830 36.774 ( 0.051 0.360 0.747) 0.830 37.093 ( -2.805 0.086 -1.431) 3.150 37.093 ( 2.805 0.086 1.431) 3.150 39.297 ( -4.059 -2.383 -1.113) 4.837 39.297 ( 4.059 -2.383 1.113) 4.837 39.537 ( -8.137 -2.418 -3.542) 9.199 39.537 ( 8.137 -2.418 3.542) 9.199 40.057 ( -1.944 4.745 -2.869) 5.876 40.057 ( 1.944 4.745 2.869) 5.876 40.452 ( -5.015 -0.616 -1.996) 5.433 40.452 ( 5.015 -0.616 1.996) 5.433 40.847 ( 1.136 1.953 -7.061) 7.413 40.847 ( -1.136 1.953 7.061) 7.413 40.983 ( 5.378 -3.535 -12.472) 14.035 40.983 ( -5.378 -3.535 12.472) 14.035 42.321 ( 7.731 2.243 -16.546) 18.400 42.321 ( -7.731 2.243 16.546) 18.400 42.738 ( 4.487 -14.981 -13.318) 20.541 42.738 ( -4.487 -14.981 13.318) 20.541 43.106 ( 1.633 -2.502 -2.661) 4.001 43.106 ( -1.633 -2.502 2.661) 4.001 43.416 ( -5.629 -7.350 -4.819) 10.437 43.416 ( 5.629 -7.350 4.819) 10.437 ======================= Grid point 116 (54/60) ======================= q-point: ( 0.14 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 9.355 11.031 -14.362) 20.383 1.534 ( 14.280 9.853 14.672) 22.722 1.559 ( 8.539 10.168 13.038) 18.609 1.642 ( 7.852 9.202 -8.584) 14.833 1.955 ( 8.013 -6.505 5.664) 11.773 2.127 ( 8.408 -6.952 6.147) 12.522 2.240 ( 26.274 -6.469 -8.689) 28.419 2.297 ( 17.623 -4.400 -2.329) 18.313 2.420 ( 9.482 7.423 1.041) 12.087 2.668 ( 7.730 5.602 0.061) 9.547 2.818 ( 0.090 3.868 1.607) 4.190 2.923 ( 2.118 3.298 -2.531) 4.666 3.080 ( -1.980 2.835 0.937) 3.583 3.136 ( -3.055 -0.968 -0.394) 3.229 3.191 ( 3.821 -2.238 3.054) 5.379 3.264 ( 7.918 -4.973 2.088) 9.580 3.301 ( 4.009 -4.073 -1.373) 5.878 3.408 ( 6.660 0.547 -7.824) 10.289 3.534 ( 6.364 -5.138 -4.650) 9.408 3.578 ( 2.598 -0.810 0.784) 2.832 3.688 ( 4.145 -3.793 0.170) 5.621 3.725 ( 0.078 1.071 -0.860) 1.376 3.807 ( 7.823 -5.678 0.216) 9.669 3.857 ( 3.101 -0.247 1.491) 3.450 3.994 ( -2.324 2.597 0.073) 3.486 4.073 ( -1.023 2.013 -3.445) 4.119 4.125 ( -1.485 -1.389 2.878) 3.524 4.177 ( -0.494 -2.088 -1.623) 2.691 4.251 ( -0.800 -0.970 -2.015) 2.375 4.340 ( 1.197 -4.246 3.706) 5.762 4.348 ( 0.204 -0.080 -0.126) 0.253 4.432 ( -3.786 0.483 -2.964) 4.832 4.511 ( 2.939 -1.070 0.816) 3.233 4.543 ( -3.552 1.353 2.410) 4.501 4.617 ( -0.661 -0.961 2.203) 2.492 4.701 ( -0.748 -3.360 2.847) 4.467 4.790 ( 7.432 2.917 -1.766) 8.177 4.878 ( 3.967 2.653 -0.279) 4.780 4.923 ( 8.918 -2.014 3.140) 9.666 4.978 ( 4.156 -0.230 0.716) 4.223 5.502 ( 2.364 4.142 3.247) 5.770 5.574 ( -6.920 7.265 -4.343) 10.932 5.635 ( 1.107 -0.160 -0.480) 1.217 5.684 ( 5.629 -0.476 2.332) 6.112 5.749 ( -1.077 -0.490 0.899) 1.486 5.802 ( 3.354 6.031 -2.200) 7.243 5.876 ( 4.199 3.861 -4.220) 7.096 6.027 ( 5.836 -0.335 -1.807) 6.118 6.367 ( 4.541 3.703 -0.147) 5.861 6.506 ( 2.504 0.852 -0.242) 2.656 6.594 ( 11.738 2.636 2.385) 12.264 6.713 ( 8.908 0.973 -3.154) 9.499 6.744 ( 1.228 3.884 0.310) 4.085 6.785 ( 1.117 5.090 5.127) 7.310 7.002 ( 3.146 -4.645 -2.171) 6.015 7.086 ( 3.851 -7.020 -0.336) 8.014 7.477 ( -7.403 4.293 3.584) 9.278 7.508 ( -5.170 0.604 5.840) 7.823 7.617 ( 0.186 -3.011 -4.494) 5.413 7.662 ( 0.367 -1.557 0.051) 1.600 8.355 ( 0.045 3.409 -0.067) 3.410 8.400 ( 1.562 1.993 -4.494) 5.158 8.654 ( -0.659 -6.045 0.966) 6.157 8.665 ( 1.508 -6.929 0.785) 7.135 9.481 ( -0.693 1.026 0.031) 1.239 9.505 ( -0.997 0.145 -0.905) 1.354 9.557 ( 1.554 -0.672 1.288) 2.127 9.575 ( 0.572 -1.062 -1.064) 1.609 10.189 ( 1.566 1.353 -0.507) 2.130 10.239 ( 3.526 1.735 0.311) 3.942 10.264 ( 2.089 -1.600 -0.226) 2.641 10.337 ( 4.356 -2.345 0.558) 4.979 11.329 ( -2.147 11.412 -1.581) 11.719 11.382 ( -0.206 12.422 2.011) 12.586 11.632 ( -5.286 -0.553 0.077) 5.315 11.662 ( -4.092 0.313 -0.510) 4.135 12.025 ( -7.149 -0.324 -1.612) 7.335 12.055 ( -7.079 0.760 2.116) 7.427 12.405 ( -4.608 -9.238 1.487) 10.430 12.422 ( -3.791 -10.688 -2.021) 11.519 12.778 ( 1.907 -1.636 -0.858) 2.655 12.813 ( 2.764 -1.699 1.228) 3.469 12.877 ( 0.149 -8.664 -0.836) 8.705 12.887 ( 0.691 -7.867 0.474) 7.912 14.023 ( -8.789 14.311 -0.186) 16.796 14.033 ( -9.460 14.819 0.167) 17.582 14.388 ( -2.058 -3.014 0.588) 3.696 14.420 ( -1.772 -3.279 -1.162) 3.904 14.572 ( -5.820 -0.058 -1.315) 5.967 14.599 ( -5.690 0.658 1.262) 5.865 14.687 ( -11.229 -4.397 0.392) 12.066 14.728 ( -10.033 -3.686 0.336) 10.694 16.046 ( -9.483 5.050 0.968) 10.788 16.080 ( -7.418 3.957 -0.563) 8.426 16.155 ( 3.106 0.491 0.265) 3.156 16.183 ( 4.520 -0.420 -0.205) 4.544 16.646 ( 13.454 3.949 0.081) 14.022 16.691 ( 12.638 4.184 -0.271) 13.316 16.961 ( 5.124 -5.808 0.110) 7.746 17.033 ( 4.878 -6.359 -0.077) 8.015 17.715 ( -5.928 16.493 0.093) 17.527 17.781 ( -5.017 16.412 -0.319) 17.164 18.191 ( 5.137 -5.446 0.256) 7.491 18.227 ( 6.764 -3.022 -0.328) 7.415 18.635 ( 3.078 0.220 -0.338) 3.104 18.663 ( 3.437 -1.162 0.374) 3.647 19.017 ( 3.178 -13.147 -0.758) 13.547 19.056 ( 2.695 -13.201 0.769) 13.495 19.557 ( 0.832 0.386 0.200) 0.939 19.567 ( 1.032 0.122 -0.109) 1.045 19.853 ( -1.709 2.001 -0.267) 2.645 19.894 ( -0.021 3.809 0.231) 3.816 20.071 ( 0.697 -5.331 0.116) 5.378 20.113 ( -0.619 -4.655 0.177) 4.699 20.149 ( 2.871 -0.212 -0.556) 2.932 20.161 ( 1.797 -0.700 0.220) 1.941 20.461 ( -1.435 1.431 0.301) 2.049 20.478 ( -1.648 0.470 -0.064) 1.715 21.064 ( -0.386 1.486 0.145) 1.542 21.075 ( -1.036 0.687 -0.179) 1.256 21.290 ( -14.139 8.518 0.973) 16.536 21.375 ( -11.635 8.230 -0.467) 14.259 21.577 ( -0.141 -4.070 0.596) 4.116 21.644 ( -0.564 -3.713 0.023) 3.755 21.821 ( -3.125 3.543 -0.664) 4.771 21.832 ( -3.073 3.607 -0.014) 4.738 21.980 ( -3.782 -1.571 -0.492) 4.125 21.983 ( -3.459 -1.593 0.723) 3.876 22.180 ( -11.971 1.463 -0.908) 12.094 22.233 ( -13.553 1.920 0.939) 13.720 22.472 ( -21.930 -16.150 -0.657) 27.243 22.569 ( -21.671 -16.461 -0.965) 27.231 24.941 ( 8.308 19.095 -0.283) 20.825 24.978 ( 7.887 18.903 0.743) 20.496 25.518 ( 18.789 -6.645 0.150) 19.930 25.521 ( 17.421 -8.229 1.016) 19.294 26.226 ( 1.906 2.153 0.434) 2.908 26.265 ( 3.523 2.505 -0.263) 4.331 26.423 ( 4.385 -5.336 -3.141) 7.587 26.455 ( 6.098 -4.556 1.467) 7.752 26.879 ( -0.232 2.913 1.222) 3.167 26.899 ( 0.507 4.706 -2.350) 5.284 27.029 ( -0.246 -0.236 1.855) 1.886 27.097 ( 2.007 -1.345 -0.799) 2.545 27.608 ( 1.941 12.256 1.915) 12.555 27.695 ( 3.531 13.324 -2.025) 13.932 28.086 ( 1.059 -7.546 1.759) 7.820 28.232 ( 2.544 -6.713 -0.331) 7.186 28.679 ( 6.850 3.359 0.164) 7.631 28.775 ( 7.095 3.791 -1.663) 8.215 28.828 ( 10.326 0.876 -4.947) 11.483 29.058 ( 12.206 -6.504 9.563) 16.815 29.814 ( 6.736 7.532 -1.819) 10.267 29.845 ( 10.238 9.976 6.310) 15.625 30.267 ( 0.495 -6.053 -0.670) 6.110 30.515 ( 9.255 -17.151 -5.936) 20.373 31.729 ( -10.861 -0.342 0.107) 10.867 31.734 ( -11.333 0.655 -0.742) 11.377 31.784 ( -8.921 -0.217 1.309) 9.019 31.868 ( -5.423 -2.763 0.561) 6.112 32.770 ( -0.791 2.174 4.872) 5.394 32.811 ( 0.658 1.692 -5.597) 5.884 32.935 ( 0.962 -6.105 1.266) 6.309 32.979 ( 1.306 -5.409 -2.348) 6.040 33.740 ( -5.457 3.504 -2.635) 7.000 33.894 ( -0.419 -2.170 2.277) 3.173 34.113 ( -7.647 4.420 0.047) 8.833 34.237 ( -3.505 0.107 -0.345) 3.523 36.831 ( 5.182 1.481 0.166) 5.392 36.869 ( 7.652 1.055 0.085) 7.725 37.116 ( 5.663 -0.240 0.496) 5.690 37.276 ( 10.925 -5.411 1.823) 12.328 39.117 ( -9.018 0.352 -5.456) 10.546 39.263 ( -4.579 -4.870 -2.455) 7.121 39.490 ( 1.533 3.405 0.789) 3.817 39.678 ( 2.153 -4.777 -0.068) 5.240 40.032 ( 0.939 5.234 0.645) 5.357 40.172 ( 4.715 -2.075 -1.186) 5.286 40.326 ( -1.282 7.296 0.306) 7.414 40.585 ( 3.497 -1.398 -1.748) 4.152 40.785 ( -2.769 1.427 3.048) 4.359 40.887 ( -0.701 0.220 4.950) 5.004 40.916 ( 0.677 -1.057 4.121) 4.308 41.086 ( 4.398 -4.139 -10.363) 11.995 42.035 ( -10.484 10.280 11.543) 18.677 42.543 ( -1.252 -9.331 9.759) 13.560 42.637 ( -2.880 -9.932 -10.548) 14.771 42.675 ( -6.254 -16.729 -8.392) 19.733 43.069 ( 6.159 0.543 -1.192) 6.297 43.275 ( 6.839 -5.271 0.025) 8.635 43.403 ( 6.425 -1.047 -1.345) 6.647 43.625 ( 9.938 -10.462 3.192) 14.779 ======================= Grid point 117 (55/60) ======================= q-point: ( 0.29 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 11.409 11.769 -9.163) 18.779 1.805 ( 11.708 11.831 12.179) 20.625 1.841 ( 14.175 0.611 -5.383) 15.175 2.021 ( 15.602 0.776 7.043) 17.136 2.073 ( 10.066 6.340 2.104) 12.082 2.264 ( 6.535 -4.968 -0.160) 8.211 2.448 ( 3.410 0.917 -0.347) 3.549 2.554 ( 2.046 -6.387 -0.737) 6.748 2.763 ( 1.563 -6.860 1.776) 7.256 2.800 ( 5.376 -2.088 -6.141) 8.425 2.827 ( 10.135 7.812 0.710) 12.816 2.921 ( -0.232 0.629 -3.834) 3.892 3.076 ( 0.504 -3.455 1.437) 3.776 3.113 ( -0.135 -0.989 2.120) 2.343 3.298 ( 4.388 -2.390 1.346) 5.175 3.369 ( 0.198 -1.411 -0.388) 1.477 3.427 ( 7.070 -8.081 0.819) 10.769 3.475 ( 0.316 -2.685 -0.142) 2.708 3.674 ( 6.670 3.108 2.613) 7.808 3.687 ( 4.528 2.870 -1.382) 5.537 3.758 ( 5.532 2.234 -6.309) 8.683 3.843 ( 6.701 1.032 -0.206) 6.783 3.895 ( 3.728 -5.913 -3.177) 7.677 3.933 ( 5.025 -4.121 -2.287) 6.889 3.988 ( -1.665 -1.501 2.395) 3.281 4.044 ( -1.686 -1.215 0.180) 2.086 4.142 ( 2.974 -0.196 -2.228) 3.721 4.193 ( -2.197 -0.021 0.875) 2.365 4.274 ( 5.739 -0.573 1.812) 6.046 4.323 ( 0.362 -1.460 -1.722) 2.286 4.373 ( -3.097 0.551 0.123) 3.148 4.413 ( 4.690 -0.152 -1.632) 4.968 4.486 ( -1.640 5.214 2.689) 6.092 4.572 ( 2.475 -0.282 2.770) 3.725 4.609 ( -0.031 0.416 -1.460) 1.518 4.738 ( 1.019 -3.024 2.828) 4.264 4.902 ( 4.135 3.104 3.371) 6.173 5.014 ( 2.017 4.473 4.147) 6.424 5.032 ( 6.178 -1.395 -4.011) 7.497 5.148 ( 6.486 -1.611 3.000) 7.325 5.313 ( -8.223 3.261 -1.975) 9.064 5.440 ( -9.595 0.265 -3.777) 10.315 5.624 ( -4.433 -0.168 2.686) 5.186 5.676 ( -3.464 -1.643 0.587) 3.878 5.861 ( 4.875 8.726 -0.338) 10.001 5.916 ( 8.565 5.296 0.428) 10.079 6.078 ( 14.338 -3.055 2.694) 14.905 6.145 ( 7.855 0.455 -3.676) 8.685 6.470 ( 1.925 4.613 -1.248) 5.152 6.590 ( -1.846 -1.259 -3.387) 4.057 6.735 ( -1.774 6.164 0.893) 6.476 6.840 ( 6.457 4.434 1.253) 7.932 6.884 ( 9.556 4.903 -0.467) 10.751 7.015 ( 13.827 1.901 -2.245) 14.137 7.122 ( -4.031 -1.071 2.487) 4.856 7.136 ( 10.463 -0.939 0.734) 10.531 7.445 ( 7.669 2.531 0.972) 8.134 7.506 ( 9.013 2.586 0.836) 9.414 7.710 ( 16.682 -8.351 0.610) 18.666 7.773 ( 10.730 -6.095 0.209) 12.342 8.398 ( 4.324 2.948 -1.401) 5.417 8.474 ( 5.863 -0.135 -3.057) 6.613 8.615 ( -2.616 -4.058 1.188) 4.972 8.700 ( 1.296 -7.004 1.655) 7.313 9.464 ( -1.222 0.683 -0.140) 1.407 9.500 ( 0.245 -0.444 -1.069) 1.183 9.547 ( -2.402 -1.091 -1.320) 2.950 9.572 ( -1.198 -1.723 1.482) 2.569 10.241 ( 2.871 1.728 -0.661) 3.416 10.316 ( 3.284 0.086 -0.695) 3.358 10.338 ( 4.163 0.783 0.026) 4.236 10.427 ( 3.349 -1.828 1.485) 4.095 11.282 ( -1.776 9.979 -1.048) 10.189 11.362 ( -2.232 11.345 2.756) 11.886 11.483 ( -7.722 1.872 -2.034) 8.202 11.526 ( -8.101 2.670 0.369) 8.538 11.818 ( -12.588 0.090 -1.414) 12.668 11.823 ( -13.788 2.454 1.945) 14.139 12.290 ( -5.658 -11.621 1.665) 13.032 12.324 ( -4.612 -13.855 -2.136) 14.758 12.810 ( 0.474 -2.868 0.042) 2.907 12.854 ( 0.343 -2.915 0.763) 3.032 12.885 ( 1.025 -6.865 -1.102) 7.028 12.912 ( 1.304 -6.101 0.326) 6.247 13.753 ( -14.482 15.712 0.727) 21.380 13.775 ( -13.247 15.520 -0.847) 20.422 14.266 ( -12.636 -7.530 0.359) 14.714 14.278 ( -10.603 -7.598 -0.459) 13.053 14.445 ( -3.613 1.178 -2.281) 4.432 14.470 ( -3.828 -0.018 0.743) 3.900 14.522 ( -4.626 -0.956 2.227) 5.223 14.542 ( -5.569 -1.488 -0.235) 5.769 15.831 ( -7.392 7.536 0.423) 10.565 15.868 ( -8.027 7.329 -0.416) 10.877 16.091 ( -8.700 -2.895 -0.367) 9.176 16.135 ( -8.882 -3.714 0.326) 9.633 16.995 ( 11.014 4.126 0.469) 11.771 17.053 ( 16.043 3.198 -0.634) 16.371 17.206 ( 18.462 -5.265 -0.603) 19.207 17.223 ( 13.717 -3.428 0.473) 14.147 17.736 ( 8.325 15.216 0.648) 17.356 17.782 ( 6.791 14.094 -0.501) 15.652 18.301 ( 4.561 -8.943 -0.036) 10.039 18.347 ( 3.374 -8.908 0.012) 9.526 18.719 ( 7.210 1.375 -0.550) 7.361 18.789 ( 7.770 1.097 0.488) 7.862 19.068 ( 1.796 -10.651 -0.082) 10.801 19.098 ( 1.867 -10.313 0.050) 10.481 19.572 ( 0.267 0.570 0.197) 0.659 19.597 ( 1.555 0.466 0.014) 1.623 19.827 ( -0.799 3.865 -0.019) 3.947 19.882 ( -2.041 5.731 -0.182) 6.086 20.040 ( -3.052 -2.681 1.634) 4.379 20.078 ( -4.076 -2.299 -1.569) 4.936 20.185 ( 0.085 0.479 -0.477) 0.682 20.222 ( 2.566 -0.478 0.297) 2.627 20.392 ( -5.983 2.257 0.896) 6.457 20.452 ( -1.025 0.404 -0.806) 1.366 20.836 ( -21.644 8.398 -0.549) 23.222 20.909 ( -20.157 7.973 1.101) 21.705 21.092 ( 1.467 0.496 1.087) 1.892 21.166 ( -3.327 3.058 -1.054) 4.640 21.445 ( -15.028 -9.659 0.200) 17.866 21.477 ( -17.328 -11.759 -0.115) 20.941 21.700 ( -4.582 0.426 0.081) 4.602 21.741 ( -2.581 -0.500 0.094) 2.630 21.778 ( -9.066 -1.669 0.027) 9.219 21.823 ( -10.897 -3.372 -0.528) 11.419 22.041 ( -1.793 1.048 0.987) 2.300 22.062 ( -1.317 1.069 -0.827) 1.887 22.196 ( -4.265 -9.675 0.904) 10.612 22.225 ( -6.791 -10.818 -1.317) 12.840 25.116 ( 6.406 22.064 -1.190) 23.006 25.136 ( 5.537 21.313 1.484) 22.070 25.831 ( 10.499 -11.583 1.537) 15.709 25.856 ( 11.191 -11.270 -0.450) 15.888 26.327 ( 6.609 4.146 -0.331) 7.809 26.392 ( 6.856 4.863 -0.312) 8.412 26.521 ( 5.132 -3.462 -1.368) 6.340 26.606 ( 7.134 -3.059 0.183) 7.764 26.870 ( -0.456 2.705 1.423) 3.090 26.908 ( 0.569 4.664 -1.134) 4.833 27.018 ( -0.784 -1.373 1.868) 2.447 27.108 ( -1.214 -2.229 -2.094) 3.291 27.663 ( 2.033 11.365 1.362) 11.625 27.731 ( 0.162 13.984 -2.195) 14.156 28.171 ( 5.044 -8.675 4.405) 10.959 28.273 ( 1.652 -7.017 -3.033) 7.821 28.885 ( 11.067 3.826 1.265) 11.777 28.953 ( 9.782 2.246 -2.259) 10.288 29.055 ( 9.202 0.902 -3.416) 9.857 29.249 ( 4.803 -7.461 5.309) 10.340 30.042 ( 14.935 8.082 -1.260) 17.028 30.183 ( 18.583 9.823 8.393) 22.633 30.385 ( 10.440 -2.688 -2.407) 11.046 30.717 ( 10.116 -13.246 -4.520) 17.269 31.409 ( -17.949 1.265 -1.357) 18.044 31.442 ( -15.061 -0.253 -0.647) 15.077 31.514 ( -15.955 -1.055 1.890) 16.101 31.668 ( -12.900 -5.979 1.308) 14.278 32.777 ( 0.867 3.217 2.028) 3.900 32.814 ( 0.509 2.165 -2.968) 3.709 32.983 ( 2.558 -5.530 0.023) 6.093 33.001 ( 1.158 -6.026 -0.705) 6.177 33.655 ( -2.136 2.029 -0.567) 3.000 33.837 ( -5.294 -4.351 -1.855) 7.099 33.992 ( -2.423 3.795 2.325) 5.068 34.139 ( -4.806 -1.395 -0.597) 5.040 36.969 ( 6.946 3.559 0.434) 7.816 37.035 ( 6.722 4.631 -0.222) 8.166 37.289 ( 9.185 -5.255 0.580) 10.598 37.477 ( 6.545 -9.198 1.349) 11.369 38.983 ( -3.129 1.463 -1.058) 3.612 39.148 ( -5.769 -5.377 -1.896) 8.111 39.519 ( 1.144 3.266 0.347) 3.478 39.660 ( -2.550 -2.021 -1.127) 3.443 40.065 ( 2.435 6.368 0.131) 6.819 40.221 ( 1.299 3.906 -2.085) 4.614 40.404 ( 5.392 3.592 0.472) 6.496 40.582 ( -2.199 1.440 -1.914) 3.251 40.738 ( -2.115 1.299 3.217) 4.063 40.890 ( -0.273 -0.902 4.628) 4.723 40.966 ( 3.084 -1.414 3.391) 4.797 41.127 ( 0.648 -4.044 -9.477) 10.324 41.922 ( -1.399 10.801 6.386) 12.625 42.356 ( -11.641 -0.148 -0.083) 11.642 42.542 ( -3.467 -18.099 15.127) 23.842 42.600 ( -2.609 -16.209 -17.820) 24.231 43.277 ( 10.417 1.147 -2.615) 10.802 43.414 ( 5.517 -1.552 -0.148) 5.734 43.574 ( 8.596 -2.074 -1.790) 9.022 43.795 ( 4.966 -9.616 3.411) 11.347 ======================= Grid point 118 (56/60) ======================= q-point: ( 0.43 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 8.891 8.522 -7.433) 14.385 1.985 ( -2.194 1.478 6.851) 7.344 2.067 ( 5.493 6.164 3.617) 9.014 2.106 ( 5.643 -2.864 0.460) 6.344 2.329 ( 4.318 -6.202 -4.278) 8.684 2.391 ( 1.475 -0.745 7.943) 8.113 2.507 ( -1.284 -5.486 -0.229) 5.639 2.526 ( 1.209 2.469 -2.682) 3.840 2.831 ( 6.511 3.397 -9.861) 12.296 2.868 ( 0.412 1.484 -4.817) 5.057 2.918 ( 4.210 2.219 8.252) 9.526 2.988 ( 2.261 2.356 1.795) 3.726 3.090 ( 1.229 -2.778 -8.010) 8.567 3.127 ( -0.523 -4.501 7.296) 8.589 3.324 ( -0.807 -3.996 -1.214) 4.254 3.356 ( -1.517 -3.236 0.317) 3.588 3.493 ( 4.214 -1.192 -2.782) 5.189 3.552 ( 2.009 -3.372 3.324) 5.143 3.725 ( 0.506 0.786 3.508) 3.631 3.740 ( 0.815 4.619 -0.443) 4.711 3.851 ( -2.029 -0.479 0.259) 2.101 3.903 ( -2.503 -0.276 -2.771) 3.744 3.949 ( 3.497 -3.900 0.720) 5.288 3.991 ( 2.017 -3.231 1.981) 4.293 4.025 ( 8.951 3.652 3.892) 10.422 4.091 ( 1.987 -2.914 -0.540) 3.569 4.145 ( -1.054 -1.143 -6.723) 6.900 4.232 ( -5.543 -3.125 -1.042) 6.448 4.265 ( 2.470 1.992 -3.582) 4.785 4.319 ( -0.455 2.315 1.370) 2.728 4.394 ( 4.552 -1.088 3.141) 5.637 4.459 ( -0.137 0.727 -3.030) 3.119 4.506 ( 1.397 3.103 0.299) 3.416 4.562 ( -3.486 0.603 0.096) 3.539 4.637 ( 3.299 -0.414 2.020) 3.891 4.724 ( -3.145 -1.806 1.174) 3.812 4.942 ( 0.105 1.703 2.588) 3.100 4.967 ( -2.512 3.320 -1.312) 4.365 5.104 ( -1.920 -1.743 0.585) 2.658 5.148 ( -3.228 -1.563 -3.184) 4.796 5.277 ( 3.592 2.858 -0.199) 4.595 5.350 ( 0.003 1.148 3.352) 3.543 5.522 ( -1.876 -0.162 0.660) 1.995 5.578 ( -4.847 -1.763 -0.602) 5.192 6.032 ( 8.202 6.663 4.416) 11.453 6.078 ( 5.078 4.460 -0.531) 6.779 6.280 ( 3.445 -4.164 2.377) 5.904 6.295 ( 2.708 -3.747 -5.397) 7.107 6.528 ( 3.970 7.633 0.690) 8.631 6.552 ( 2.923 8.798 -1.387) 9.374 6.659 ( -3.165 5.910 -2.965) 7.330 6.785 ( -11.400 4.459 3.112) 12.630 6.901 ( 2.708 3.779 1.899) 5.022 7.000 ( -5.901 2.683 -2.168) 6.836 7.247 ( 2.906 -7.631 3.227) 8.780 7.266 ( 2.091 -7.973 -4.910) 9.594 7.782 ( 16.893 8.207 0.042) 18.781 7.857 ( 12.498 6.319 -0.484) 14.013 8.122 ( 16.668 -4.305 -0.271) 17.217 8.144 ( 13.445 -5.295 0.657) 14.465 8.517 ( 0.353 -1.824 2.309) 2.964 8.559 ( 8.940 -3.797 2.203) 9.960 8.625 ( 1.536 -3.542 0.409) 3.882 8.737 ( 1.624 -7.873 -4.163) 9.053 9.418 ( -1.694 1.809 0.645) 2.561 9.481 ( -3.621 -0.810 -1.201) 3.900 9.501 ( -0.742 -0.678 0.179) 1.021 9.513 ( -2.906 -1.033 0.364) 3.106 10.303 ( 3.105 1.092 -0.564) 3.339 10.352 ( -0.528 -0.192 -0.312) 0.643 10.415 ( 2.867 1.664 -0.163) 3.319 10.459 ( -0.770 0.363 0.952) 1.277 11.256 ( -1.846 5.819 1.520) 6.291 11.303 ( 0.533 8.593 0.125) 8.610 11.318 ( -6.195 3.032 -1.599) 7.080 11.432 ( 1.283 7.830 0.009) 7.934 11.488 ( -14.160 3.002 0.073) 14.475 11.563 ( -10.535 3.247 0.259) 11.027 12.209 ( -1.290 -16.047 -0.147) 16.100 12.235 ( -3.249 -17.156 0.023) 17.461 12.805 ( -0.141 -1.089 0.092) 1.102 12.830 ( -2.081 -1.808 0.413) 2.788 12.911 ( 1.066 -5.443 -1.283) 5.693 12.924 ( -0.233 -5.751 0.682) 5.796 13.528 ( -5.076 14.692 0.712) 15.561 13.546 ( -6.424 14.769 -0.800) 16.126 14.027 ( -6.472 -7.497 0.293) 9.908 14.047 ( -7.876 -7.556 -0.233) 10.917 14.410 ( -0.292 0.597 -1.706) 1.831 14.420 ( -1.359 0.319 1.346) 1.940 14.465 ( -1.094 -0.590 0.645) 1.400 14.472 ( -1.659 -0.763 -0.073) 1.828 15.779 ( 2.227 3.781 -0.201) 4.393 15.796 ( 1.276 3.299 0.068) 3.538 15.894 ( -7.962 -0.718 -0.253) 7.999 15.920 ( -9.235 -1.996 0.250) 9.451 17.125 ( 3.552 13.876 2.222) 14.494 17.179 ( -0.602 14.339 -2.557) 14.578 17.538 ( 12.209 -5.716 -0.872) 13.509 17.588 ( 10.097 -6.596 1.313) 12.132 17.926 ( 6.738 5.101 -0.641) 8.475 17.980 ( 5.188 4.320 0.417) 6.764 18.383 ( 3.389 -13.083 -0.358) 13.519 18.402 ( 2.257 -12.763 0.565) 12.973 18.925 ( 9.375 2.538 -0.849) 9.749 18.966 ( 6.136 2.316 0.603) 6.586 19.142 ( 5.910 -5.462 -0.136) 8.049 19.180 ( 5.415 -6.319 0.142) 8.323 19.560 ( -0.560 3.394 -0.108) 3.441 19.623 ( -0.189 1.126 0.204) 1.160 19.775 ( -5.652 1.917 0.452) 5.985 19.810 ( -5.944 5.738 -0.266) 8.266 19.909 ( -4.854 -2.142 0.319) 5.315 19.953 ( -4.743 0.368 -0.515) 4.785 20.122 ( -5.781 5.117 -1.919) 7.955 20.202 ( -9.653 10.572 4.167) 14.910 20.251 ( 0.426 -0.153 -0.243) 0.513 20.319 ( -8.042 3.272 -2.523) 9.041 20.556 ( -1.779 2.397 1.610) 3.392 20.600 ( -6.232 2.756 -1.002) 6.887 21.079 ( -6.321 -14.582 2.234) 16.049 21.083 ( -5.713 -10.351 -1.857) 11.967 21.168 ( -1.913 -2.786 0.199) 3.385 21.191 ( -4.061 -4.006 -0.485) 5.724 21.651 ( -0.651 -0.111 -0.040) 0.662 21.674 ( -3.011 -0.399 -0.086) 3.038 21.701 ( -0.421 -2.410 0.555) 2.508 21.712 ( -1.175 -3.234 -0.476) 3.474 22.040 ( 0.542 0.684 0.873) 1.234 22.051 ( -0.308 0.698 -0.942) 1.212 22.156 ( -0.500 -7.278 0.871) 7.347 22.163 ( -0.967 -7.204 -0.807) 7.313 25.200 ( 1.954 23.190 -0.813) 23.287 25.207 ( 1.224 22.560 0.844) 22.609 25.977 ( 3.499 -12.493 0.901) 13.005 25.992 ( 2.310 -12.757 -0.439) 12.972 26.450 ( 3.971 5.839 0.081) 7.062 26.482 ( 1.152 6.751 -0.496) 6.866 26.645 ( 5.693 -4.163 0.631) 7.080 26.707 ( 1.029 -4.164 -1.592) 4.575 26.898 ( 3.303 1.697 2.790) 4.644 26.926 ( 1.259 1.863 -1.578) 2.747 26.995 ( -1.523 -1.312 2.237) 3.007 27.037 ( -4.550 -1.328 -2.962) 5.589 27.691 ( 0.743 14.321 2.502) 14.557 27.714 ( -1.085 15.291 -2.717) 15.568 28.262 ( 2.534 -8.134 4.836) 9.796 28.291 ( 0.184 -7.603 -4.320) 8.747 29.089 ( 6.644 2.722 1.127) 7.268 29.127 ( 4.134 1.205 -0.823) 4.384 29.204 ( 6.082 -0.371 -3.311) 6.935 29.291 ( -1.384 -3.836 3.174) 5.168 30.411 ( 17.680 7.385 0.103) 19.161 30.545 ( 10.624 9.602 0.468) 14.327 30.690 ( 18.188 -2.898 0.713) 18.432 30.886 ( 2.600 -2.692 1.081) 3.896 31.019 ( -16.128 0.892 0.035) 16.153 31.123 ( -18.718 0.548 -1.184) 18.763 31.195 ( -3.678 -8.248 -4.184) 9.953 31.368 ( -14.095 -8.786 3.623) 16.999 32.803 ( 1.255 3.163 0.116) 3.405 32.820 ( -0.140 2.801 -0.262) 2.817 33.018 ( 1.282 -5.763 -3.300) 6.763 33.027 ( 0.370 -6.624 3.083) 7.316 33.647 ( 1.364 0.608 0.842) 1.714 33.715 ( -4.765 -1.038 -2.168) 5.337 33.994 ( 1.526 -0.713 2.094) 2.687 34.049 ( -3.360 -1.977 -1.246) 4.093 37.096 ( 4.198 5.309 0.646) 6.799 37.127 ( 1.562 6.108 -0.569) 6.331 37.463 ( 6.339 -8.044 0.766) 10.270 37.541 ( -0.562 -9.205 -0.289) 9.227 38.966 ( 1.175 -0.532 1.923) 2.316 39.031 ( -4.490 -3.265 -2.272) 5.999 39.549 ( 1.773 2.497 0.757) 3.155 39.599 ( -2.689 0.777 -1.121) 3.015 40.138 ( 4.048 6.945 0.281) 8.044 40.213 ( -2.203 6.446 -1.040) 6.891 40.495 ( 2.677 4.274 1.494) 5.260 40.539 ( -1.475 2.104 -3.040) 3.980 40.737 ( 2.694 0.438 3.533) 4.464 40.836 ( -4.749 -0.381 -0.280) 4.772 41.047 ( 3.228 -3.068 6.993) 8.291 41.106 ( -1.392 -3.406 -8.593) 9.348 41.971 ( 5.090 7.342 1.988) 9.152 42.128 ( -9.243 3.536 -0.477) 9.908 42.516 ( -0.933 -16.924 15.813) 23.181 42.537 ( -1.081 -16.024 -16.145) 22.773 43.442 ( 4.904 1.214 -0.840) 5.121 43.484 ( 0.778 0.882 -0.008) 1.176 43.742 ( 6.850 -4.494 -3.442) 8.886 43.834 ( -1.722 -7.190 3.827) 8.326 ======================= Grid point 122 (57/60) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( -0.000 0.000 -0.000) 0.000 1.508 ( -0.000 0.000 0.000) 0.000 1.636 ( 0.000 0.000 -0.000) 0.000 1.636 ( 0.000 -0.000 0.000) 0.000 1.715 ( -0.000 -0.000 0.000) 0.000 1.715 ( 0.000 0.000 0.000) 0.000 1.868 ( -0.000 -0.000 0.000) 0.000 1.868 ( -0.000 0.000 0.000) 0.000 2.649 ( 0.000 -0.000 0.000) 0.000 2.649 ( 0.000 0.000 -0.000) 0.000 3.002 ( -0.000 0.000 0.000) 0.000 3.002 ( 0.000 0.000 0.000) 0.000 3.081 ( 0.000 -0.000 0.000) 0.000 3.081 ( 0.000 0.000 0.000) 0.000 3.131 ( 0.000 -0.000 -0.000) 0.000 3.131 ( -0.000 0.000 -0.000) 0.000 3.165 ( -0.000 -0.000 0.000) 0.000 3.165 ( -0.000 0.000 0.000) 0.000 3.468 ( -0.000 0.000 0.000) 0.000 3.468 ( 0.000 0.000 0.000) 0.000 3.612 ( 0.000 0.000 -0.000) 0.000 3.612 ( 0.000 0.000 0.000) 0.000 3.857 ( 0.000 -0.000 0.000) 0.000 3.857 ( 0.000 0.000 -0.000) 0.000 4.051 ( -0.000 0.000 -0.000) 0.000 4.051 ( 0.000 0.000 0.000) 0.000 4.163 ( 0.000 0.000 0.000) 0.000 4.163 ( 0.000 0.000 0.000) 0.000 4.263 ( 0.000 0.000 0.000) 0.000 4.263 ( -0.000 0.000 0.000) 0.000 4.372 ( 0.000 0.000 0.000) 0.000 4.372 ( 0.000 0.000 0.000) 0.000 4.600 ( -0.000 0.000 -0.000) 0.000 4.600 ( 0.000 0.000 0.000) 0.000 4.623 ( -0.000 0.000 -0.000) 0.000 4.623 ( 0.000 0.000 0.000) 0.000 4.733 ( -0.000 0.000 0.000) 0.000 4.733 ( -0.000 0.000 0.000) 0.000 4.907 ( -0.000 0.000 0.000) 0.000 4.907 ( 0.000 0.000 0.000) 0.000 5.483 ( -0.000 0.000 0.000) 0.000 5.483 ( 0.000 0.000 0.000) 0.000 5.752 ( 0.000 0.000 -0.000) 0.000 5.752 ( 0.000 -0.000 0.000) 0.000 5.818 ( -0.000 0.000 0.000) 0.000 5.818 ( 0.000 0.000 0.000) 0.000 5.858 ( -0.000 0.000 0.000) 0.000 5.858 ( -0.000 0.000 0.000) 0.000 6.447 ( 0.000 -0.000 -0.000) 0.000 6.447 ( -0.000 0.000 0.000) 0.000 6.546 ( 0.000 0.000 0.000) 0.000 6.546 ( 0.000 0.000 0.000) 0.000 6.796 ( 0.000 0.000 0.000) 0.000 6.796 ( 0.000 0.000 0.000) 0.000 6.964 ( -0.000 0.000 0.000) 0.000 6.964 ( 0.000 0.000 0.000) 0.000 7.560 ( 0.000 0.000 -0.000) 0.000 7.560 ( 0.000 0.000 0.000) 0.000 7.676 ( 0.000 0.000 -0.000) 0.000 7.676 ( 0.000 0.000 0.000) 0.000 8.409 ( -0.000 0.000 0.000) 0.000 8.409 ( -0.000 0.000 0.000) 0.000 8.565 ( -0.000 0.000 0.000) 0.000 8.565 ( 0.000 0.000 0.000) 0.000 9.514 ( -0.000 0.000 0.000) 0.000 9.514 ( 0.000 0.000 0.000) 0.000 9.544 ( -0.000 0.000 0.000) 0.000 9.544 ( 0.000 0.000 0.000) 0.000 10.219 ( 0.000 -0.000 -0.000) 0.000 10.219 ( 0.000 0.000 -0.000) 0.000 10.221 ( -0.000 -0.000 -0.000) 0.000 10.221 ( -0.000 0.000 0.000) 0.000 11.548 ( 0.000 -0.000 0.000) 0.000 11.548 ( 0.000 -0.000 0.000) 0.000 11.664 ( -0.000 0.000 0.000) 0.000 11.664 ( 0.000 0.000 0.000) 0.000 12.162 ( -0.000 -0.000 0.000) 0.000 12.162 ( 0.000 0.000 0.000) 0.000 12.277 ( -0.000 0.000 0.000) 0.000 12.277 ( 0.000 0.000 0.000) 0.000 12.763 ( -0.000 -0.000 -0.000) 0.000 12.763 ( 0.000 -0.000 0.000) 0.000 12.785 ( -0.000 0.000 0.000) 0.000 12.785 ( 0.000 0.000 0.000) 0.000 14.311 ( -0.000 -0.000 0.000) 0.000 14.311 ( -0.000 0.000 0.000) 0.000 14.370 ( 0.000 -0.000 0.000) 0.000 14.370 ( 0.000 0.000 0.000) 0.000 14.726 ( -0.000 -0.000 -0.000) 0.000 14.726 ( 0.000 -0.000 0.000) 0.000 14.728 ( -0.000 0.000 -0.000) 0.000 14.728 ( 0.000 0.000 0.000) 0.000 16.072 ( -0.000 -0.000 0.000) 0.000 16.072 ( -0.000 0.000 0.000) 0.000 16.120 ( 0.000 -0.000 0.000) 0.000 16.120 ( 0.000 0.000 0.000) 0.000 16.790 ( -0.000 -0.000 0.000) 0.000 16.790 ( -0.000 0.000 0.000) 0.000 16.834 ( 0.000 -0.000 0.000) 0.000 16.834 ( 0.000 0.000 0.000) 0.000 18.025 ( 0.000 0.000 0.000) 0.000 18.025 ( 0.000 0.000 0.000) 0.000 18.052 ( -0.000 -0.000 0.000) 0.000 18.052 ( -0.000 0.000 0.000) 0.000 18.699 ( 0.000 -0.000 0.000) 0.000 18.699 ( -0.000 0.000 0.000) 0.000 18.739 ( 0.000 -0.000 0.000) 0.000 18.739 ( 0.000 0.000 0.000) 0.000 19.553 ( 0.000 0.000 -0.000) 0.000 19.553 ( -0.000 0.000 0.000) 0.000 19.937 ( -0.000 -0.000 0.000) 0.000 19.937 ( 0.000 0.000 0.000) 0.000 19.986 ( -0.000 -0.000 0.000) 0.000 19.986 ( -0.000 0.000 0.000) 0.000 20.128 ( -0.000 0.000 0.000) 0.000 20.128 ( 0.000 0.000 0.000) 0.000 20.493 ( -0.000 0.000 0.000) 0.000 20.493 ( 0.000 0.000 0.000) 0.000 21.091 ( 0.000 0.000 0.000) 0.000 21.091 ( 0.000 0.000 0.000) 0.000 21.521 ( 0.000 0.000 0.000) 0.000 21.521 ( -0.000 0.000 0.000) 0.000 21.594 ( 0.000 0.000 0.000) 0.000 21.594 ( 0.000 0.000 0.000) 0.000 21.940 ( 0.000 -0.000 0.000) 0.000 21.940 ( 0.000 0.000 0.000) 0.000 21.948 ( -0.000 0.000 -0.000) 0.000 21.948 ( 0.000 0.000 0.000) 0.000 22.500 ( -0.000 -0.000 0.000) 0.000 22.500 ( 0.000 -0.000 0.000) 0.000 22.570 ( -0.000 0.000 0.000) 0.000 22.570 ( 0.000 0.000 0.000) 0.000 25.126 ( 0.000 -0.000 0.000) 0.000 25.126 ( -0.000 0.000 -0.000) 0.000 25.132 ( 0.000 -0.000 -0.000) 0.000 25.132 ( 0.000 0.000 0.000) 0.000 26.271 ( 0.000 -0.000 -0.000) 0.000 26.271 ( 0.000 0.000 0.000) 0.000 26.282 ( -0.000 0.000 -0.000) 0.000 26.282 ( -0.000 0.000 0.000) 0.000 26.913 ( -0.000 0.000 0.000) 0.000 26.913 ( 0.000 0.000 0.000) 0.000 27.048 ( 0.000 0.000 0.000) 0.000 27.048 ( 0.000 0.000 0.000) 0.000 27.880 ( -0.000 -0.000 0.000) 0.000 27.880 ( 0.000 0.000 0.000) 0.000 27.966 ( 0.000 -0.000 0.000) 0.000 27.966 ( -0.000 0.000 -0.000) 0.000 28.705 ( -0.000 -0.000 0.000) 0.000 28.705 ( 0.000 0.000 0.000) 0.000 28.746 ( 0.000 0.000 -0.000) 0.000 28.746 ( 0.000 0.000 0.000) 0.000 29.869 ( 0.000 0.000 0.000) 0.000 29.869 ( 0.000 0.000 0.000) 0.000 30.168 ( -0.000 -0.000 -0.000) 0.000 30.168 ( 0.000 0.000 0.000) 0.000 31.855 ( 0.000 0.000 0.000) 0.000 31.855 ( -0.000 0.000 0.000) 0.000 31.892 ( 0.000 0.000 0.000) 0.000 31.892 ( -0.000 0.000 0.000) 0.000 32.839 ( -0.000 -0.000 0.000) 0.000 32.839 ( -0.000 -0.000 0.000) 0.000 32.850 ( 0.000 0.000 -0.000) 0.000 32.850 ( -0.000 0.000 0.000) 0.000 33.886 ( -0.000 0.000 0.000) 0.000 33.886 ( 0.000 0.000 0.000) 0.000 34.259 ( -0.000 0.000 0.000) 0.000 34.259 ( 0.000 0.000 0.000) 0.000 36.778 ( -0.000 0.000 0.000) 0.000 36.778 ( 0.000 0.000 0.000) 0.000 37.093 ( 0.000 0.000 0.000) 0.000 37.093 ( 0.000 0.000 0.000) 0.000 39.268 ( -0.000 0.000 -0.000) 0.000 39.268 ( -0.000 0.000 0.000) 0.000 39.512 ( 0.000 0.000 0.000) 0.000 39.512 ( 0.000 0.000 0.000) 0.000 40.115 ( 0.000 0.000 0.000) 0.000 40.115 ( -0.000 0.000 0.000) 0.000 40.441 ( 0.000 0.000 0.000) 0.000 40.441 ( -0.000 0.000 0.000) 0.000 40.905 ( 3.042 -3.529 -10.306) 11.311 40.905 ( 3.042 3.529 -10.306) 11.311 40.905 ( -3.042 -3.529 10.306) 11.311 40.905 ( -3.042 3.529 10.306) 11.311 42.424 ( 0.000 0.000 -0.000) 0.000 42.424 ( 0.000 0.000 0.000) 0.000 42.500 ( 0.000 -0.000 -0.000) 0.000 42.500 ( -0.000 0.000 0.000) 0.000 43.088 ( -0.000 0.000 0.000) 0.000 43.088 ( 0.000 0.000 0.000) 0.000 43.336 ( 0.000 0.000 0.000) 0.000 43.336 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 126 (58/60) ======================= q-point: ( 0.14 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 6.588 -4.659 -2.711) 8.512 1.543 ( 6.588 4.659 -2.711) 8.512 1.750 ( 12.111 -7.333 7.122) 15.849 1.750 ( 12.111 7.333 7.122) 15.849 1.961 ( 16.610 -9.282 7.533) 20.464 1.961 ( 16.610 9.282 7.533) 20.464 2.195 ( 18.186 -2.844 -8.136) 20.125 2.195 ( 18.186 2.844 -8.136) 20.125 2.641 ( -0.126 -8.567 1.869) 8.770 2.641 ( -0.126 8.567 1.869) 8.770 2.977 ( -1.990 -9.951 -4.985) 11.306 2.977 ( -1.990 9.951 -4.985) 11.306 3.061 ( 1.458 -8.276 3.539) 9.118 3.061 ( 1.458 8.276 3.539) 9.118 3.149 ( 3.605 -3.857 3.068) 6.106 3.149 ( 3.605 3.857 3.068) 6.106 3.378 ( 9.080 -8.263 -7.898) 14.597 3.378 ( 9.080 8.263 -7.898) 14.597 3.473 ( 6.101 -6.746 -0.367) 9.102 3.473 ( 6.101 6.746 -0.367) 9.102 3.693 ( 5.675 -4.174 0.451) 7.059 3.693 ( 5.675 4.174 0.451) 7.059 3.831 ( -1.828 -3.273 -0.399) 3.770 3.831 ( -1.828 3.273 -0.399) 3.770 4.053 ( -0.527 -2.731 0.853) 2.909 4.053 ( -0.527 2.731 0.853) 2.909 4.141 ( 0.158 -1.714 -1.234) 2.118 4.141 ( 0.158 1.714 -1.234) 2.118 4.255 ( -1.086 -2.325 0.136) 2.570 4.255 ( -1.086 2.325 0.136) 2.570 4.390 ( 1.606 -3.397 -2.449) 4.485 4.390 ( 1.606 3.397 -2.449) 4.485 4.524 ( -0.787 -2.080 1.129) 2.494 4.524 ( -0.787 2.080 1.129) 2.494 4.645 ( -1.156 -2.533 4.267) 5.096 4.645 ( -1.156 2.533 4.267) 5.096 4.847 ( 8.593 -2.684 -2.796) 9.426 4.847 ( 8.593 2.684 -2.796) 9.426 4.955 ( 3.917 -2.066 4.199) 6.103 4.955 ( 3.917 2.066 4.199) 6.103 5.590 ( 4.900 -3.553 2.099) 6.406 5.590 ( 4.900 3.553 2.099) 6.406 5.670 ( -5.016 -1.179 -1.649) 5.411 5.670 ( -5.016 1.179 -1.649) 5.411 5.809 ( 0.539 -5.311 0.870) 5.409 5.809 ( 0.539 5.311 0.870) 5.409 5.961 ( 6.372 -5.017 -4.527) 9.288 5.961 ( 6.372 5.017 -4.527) 9.288 6.464 ( 4.622 -4.095 -0.049) 6.176 6.464 ( 4.622 4.095 -0.049) 6.176 6.664 ( 9.558 -3.295 -0.997) 10.159 6.664 ( 9.558 3.295 -0.997) 10.159 6.875 ( 6.807 -4.427 1.813) 8.320 6.875 ( 6.807 4.427 1.813) 8.320 6.936 ( -0.119 -5.598 1.165) 5.719 6.936 ( -0.119 5.598 1.165) 5.719 7.518 ( -4.579 -0.719 2.600) 5.315 7.518 ( -4.579 0.719 2.600) 5.315 7.613 ( -3.590 -2.678 -0.987) 4.586 7.613 ( -3.590 2.678 -0.987) 4.586 8.426 ( 1.657 -1.573 -1.847) 2.938 8.426 ( 1.657 1.573 -1.847) 2.938 8.569 ( 0.235 -0.395 0.213) 0.506 8.569 ( 0.235 0.395 0.213) 0.506 9.501 ( -0.669 -0.667 -0.203) 0.966 9.501 ( -0.669 0.667 -0.203) 0.966 9.555 ( 0.264 -0.559 -0.118) 0.629 9.555 ( 0.264 0.559 -0.118) 0.629 10.224 ( 1.924 -1.870 -0.309) 2.700 10.224 ( 1.924 1.870 -0.309) 2.700 10.286 ( 4.170 -2.425 0.366) 4.837 10.286 ( 4.170 2.425 0.366) 4.838 11.519 ( -2.689 -3.935 0.347) 4.779 11.519 ( -2.689 3.935 0.347) 4.779 11.637 ( -2.506 -2.885 -0.503) 3.855 11.637 ( -2.506 2.885 -0.503) 3.855 12.091 ( -6.154 -3.582 0.299) 7.127 12.091 ( -6.154 3.582 0.299) 7.127 12.218 ( -5.689 -2.319 0.032) 6.143 12.218 ( -5.689 2.319 0.032) 6.143 12.778 ( 0.981 -1.749 -1.034) 2.256 12.778 ( 0.981 1.749 -1.034) 2.256 12.803 ( 1.726 -1.015 0.916) 2.203 12.803 ( 1.726 1.015 0.916) 2.203 14.261 ( -5.178 -5.063 -0.208) 7.245 14.261 ( -5.178 5.063 -0.208) 7.245 14.304 ( -7.031 -5.674 0.108) 9.036 14.304 ( -7.031 5.674 0.108) 9.036 14.599 ( -8.195 -2.634 -1.624) 8.760 14.599 ( -8.195 2.634 -1.624) 8.760 14.648 ( -7.181 -3.230 1.803) 8.078 14.648 ( -7.181 3.230 1.803) 8.078 16.123 ( -1.755 -0.951 0.197) 2.005 16.123 ( -1.755 0.951 0.197) 2.005 16.159 ( 0.881 -0.914 0.001) 1.270 16.159 ( 0.881 0.914 0.001) 1.270 16.794 ( 5.817 -8.858 0.167) 10.598 16.794 ( 5.817 8.858 0.167) 10.598 16.849 ( 5.168 -9.752 -0.183) 11.038 16.849 ( 5.168 9.752 -0.183) 11.038 18.021 ( 0.661 -11.361 0.135) 11.381 18.021 ( 0.661 11.361 0.135) 11.381 18.085 ( 1.388 -11.058 -0.417) 11.153 18.085 ( 1.388 11.058 -0.417) 11.153 18.748 ( 2.896 -9.369 -0.419) 9.816 18.748 ( 2.896 9.369 -0.419) 9.816 18.769 ( 4.120 -11.103 0.536) 11.855 18.769 ( 4.120 11.103 0.536) 11.855 19.564 ( 0.955 -0.312 0.038) 1.005 19.564 ( 0.955 0.312 0.038) 1.005 19.944 ( 0.292 -5.876 -0.003) 5.883 19.944 ( 0.292 5.876 -0.003) 5.883 20.000 ( 1.158 -5.587 0.068) 5.707 20.000 ( 1.158 5.587 0.068) 5.707 20.154 ( 2.202 -0.294 -0.175) 2.229 20.154 ( 2.202 0.294 -0.175) 2.229 20.480 ( -1.217 -0.383 0.180) 1.288 20.480 ( -1.217 0.383 0.180) 1.288 21.082 ( -0.793 -0.239 0.011) 0.828 21.082 ( -0.793 0.239 0.011) 0.828 21.459 ( -6.572 -7.153 0.947) 9.760 21.459 ( -6.572 7.153 0.947) 9.760 21.535 ( -6.711 -6.653 -0.335) 9.456 21.535 ( -6.711 6.653 -0.335) 9.456 21.898 ( -5.730 -1.430 -1.296) 6.046 21.898 ( -5.730 1.430 -1.296) 6.046 21.934 ( -2.835 -1.142 0.736) 3.143 21.934 ( -2.835 1.142 0.736) 3.143 22.244 ( -16.242 -5.616 -0.837) 17.206 22.244 ( -16.242 5.616 -0.837) 17.206 22.319 ( -18.298 -7.113 0.390) 19.636 22.319 ( -18.298 7.113 0.390) 19.636 25.287 ( 12.397 -12.148 0.174) 17.357 25.287 ( 12.397 12.148 0.174) 17.357 25.315 ( 12.960 -11.256 0.778) 17.183 25.315 ( 12.960 11.256 0.778) 17.183 26.302 ( 4.014 -3.930 -1.697) 5.868 26.302 ( 4.014 3.930 -1.697) 5.868 26.355 ( 5.819 -3.847 0.728) 7.014 26.355 ( 5.819 3.847 0.728) 7.014 26.931 ( 1.116 -1.371 -0.166) 1.776 26.931 ( 1.116 1.371 -0.166) 1.776 27.053 ( 0.089 -2.390 0.104) 2.394 27.053 ( 0.089 2.390 0.104) 2.394 27.859 ( 0.258 -10.060 0.132) 10.064 27.859 ( 0.258 10.060 0.132) 10.064 28.019 ( 2.910 -12.050 0.364) 12.401 28.019 ( 2.910 12.050 0.364) 12.401 28.760 ( 7.170 -4.068 -1.962) 8.474 28.760 ( 7.170 4.068 -1.962) 8.474 28.905 ( 10.345 -6.661 2.058) 12.474 28.905 ( 10.345 6.661 2.058) 12.474 29.967 ( 8.781 -3.022 1.335) 9.382 29.967 ( 8.781 3.022 1.335) 9.382 30.231 ( 6.452 -7.136 -0.769) 9.651 30.231 ( 6.452 7.136 -0.769) 9.651 31.733 ( -10.599 -0.606 0.623) 10.635 31.733 ( -10.599 0.606 0.623) 10.635 31.810 ( -8.184 -2.487 0.137) 8.554 31.810 ( -8.184 2.487 0.137) 8.554 32.830 ( 0.243 -3.726 2.338) 4.405 32.830 ( 0.243 3.726 2.338) 4.405 32.876 ( 1.350 -4.155 -3.112) 5.363 32.876 ( 1.350 4.155 -3.112) 5.363 33.826 ( -4.605 -4.122 -0.752) 6.225 33.826 ( -4.605 4.122 -0.752) 6.225 34.198 ( -5.170 -3.357 0.337) 6.174 34.198 ( -5.170 3.357 0.337) 6.174 36.863 ( 7.390 -1.305 0.228) 7.508 36.863 ( 7.390 1.305 0.228) 7.508 37.166 ( 5.932 -4.486 0.271) 7.442 37.166 ( 5.932 4.486 0.271) 7.442 39.164 ( -6.461 -3.932 -2.952) 8.119 39.164 ( -6.461 3.932 -2.952) 8.119 39.572 ( 2.560 -4.605 1.723) 5.543 39.572 ( 2.560 4.605 1.723) 5.543 40.123 ( 1.471 -3.190 -0.295) 3.525 40.123 ( 1.471 3.190 -0.295) 3.525 40.493 ( 3.778 -7.131 -0.810) 8.111 40.493 ( 3.778 7.131 -0.810) 8.111 40.835 ( -3.068 -3.009 6.718) 7.975 40.835 ( -3.068 3.009 6.718) 7.975 40.981 ( 3.407 -5.004 -6.911) 9.188 40.981 ( 3.407 5.004 -6.911) 9.188 42.295 ( -7.314 -14.059 11.657) 19.673 42.295 ( -7.314 14.059 11.657) 19.673 42.510 ( -3.084 -2.101 -11.222) 11.826 42.510 ( -3.084 2.101 -11.222) 11.826 43.151 ( 7.295 -5.876 0.351) 9.374 43.151 ( 7.295 5.876 0.351) 9.374 43.453 ( 8.232 -5.633 0.556) 9.990 43.453 ( 8.232 5.633 0.556) 9.990 ======================= Grid point 128 (59/60) ======================= q-point: ( 0.29 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 12.437 -4.797 2.667) 13.595 1.771 ( 12.437 4.797 2.667) 13.595 2.040 ( 10.720 -2.731 -0.647) 11.082 2.040 ( 10.720 2.731 -0.647) 11.082 2.209 ( 4.483 -5.745 4.967) 8.819 2.209 ( 4.483 5.745 4.967) 8.819 2.425 ( 6.007 -5.455 -4.279) 9.174 2.425 ( 6.007 5.455 -4.279) 9.174 2.708 ( 7.700 -3.255 0.117) 8.361 2.708 ( 7.700 3.255 0.117) 8.361 2.966 ( 0.686 -3.756 -1.993) 4.307 2.966 ( 0.686 3.756 -1.993) 4.307 3.081 ( 0.917 -5.637 1.713) 5.962 3.081 ( 0.917 5.637 1.713) 5.962 3.265 ( 3.082 -2.540 0.775) 4.068 3.265 ( 3.082 2.540 0.775) 4.068 3.403 ( 1.289 -3.408 -1.599) 3.980 3.403 ( 1.289 3.408 -1.599) 3.980 3.734 ( 6.680 -1.362 -1.718) 7.031 3.734 ( 6.680 1.362 -1.718) 7.031 3.796 ( 5.301 -2.641 -1.197) 6.042 3.796 ( 5.301 2.641 -1.197) 6.042 3.863 ( 7.716 -2.839 -2.064) 8.477 3.863 ( 7.716 2.839 -2.064) 8.477 3.994 ( -3.979 -2.287 3.698) 5.894 3.994 ( -3.979 2.287 3.698) 5.894 4.177 ( 0.098 -2.291 -3.992) 4.604 4.177 ( 0.098 2.291 -3.992) 4.604 4.269 ( 3.613 -1.334 1.213) 4.038 4.269 ( 3.613 1.334 1.213) 4.038 4.404 ( -0.051 -1.138 -2.721) 2.950 4.404 ( -0.051 1.138 -2.721) 2.950 4.561 ( 2.742 -1.329 1.708) 3.493 4.561 ( 2.742 1.329 1.708) 3.493 4.658 ( 0.545 -4.185 2.835) 5.085 4.658 ( 0.545 4.185 2.835) 5.085 4.974 ( 3.763 -3.441 0.124) 5.100 4.974 ( 3.763 3.441 0.124) 5.100 5.097 ( 6.543 -3.152 4.046) 8.313 5.097 ( 6.543 3.152 4.046) 8.313 5.403 ( -11.796 -3.930 -4.031) 13.071 5.403 ( -11.796 3.930 -4.031) 13.071 5.637 ( -3.650 -1.615 1.993) 4.461 5.637 ( -3.650 1.615 1.993) 4.461 5.981 ( 10.506 -3.076 4.421) 11.806 5.981 ( 10.506 3.076 4.421) 11.806 6.076 ( 6.496 -5.775 -4.848) 9.952 6.076 ( 6.496 5.775 -4.848) 9.952 6.550 ( 3.149 -2.664 -2.909) 5.047 6.550 ( 3.149 2.664 -2.909) 5.047 6.842 ( -0.040 -3.036 4.401) 5.347 6.842 ( -0.040 3.036 4.401) 5.347 7.020 ( 11.595 -4.618 -3.830) 13.055 7.020 ( 11.595 4.618 -3.830) 13.055 7.095 ( 2.985 -2.133 2.761) 4.592 7.095 ( 2.985 2.133 2.761) 4.592 7.539 ( 15.700 -5.752 1.032) 16.752 7.539 ( 15.700 5.752 1.032) 16.752 7.627 ( 8.550 -6.735 -0.522) 10.897 7.627 ( 8.550 6.735 -0.522) 10.897 8.465 ( 1.680 -2.372 -0.687) 2.987 8.465 ( 1.680 2.372 -0.687) 2.987 8.581 ( 1.357 -2.812 -0.327) 3.139 8.581 ( 1.357 2.812 -0.327) 3.139 9.486 ( -0.932 -1.073 -0.173) 1.432 9.486 ( -0.932 1.073 -0.173) 1.432 9.542 ( -1.500 -0.806 -0.152) 1.710 9.542 ( -1.500 0.806 -0.152) 1.710 10.284 ( 3.176 -2.207 -1.231) 4.059 10.284 ( 3.176 2.207 -1.231) 4.059 10.380 ( 4.070 -2.395 1.233) 4.881 10.380 ( 4.070 2.395 1.233) 4.881 11.434 ( -5.184 -3.270 0.394) 6.141 11.434 ( -5.184 3.270 0.394) 6.141 11.556 ( -5.137 -1.298 -0.676) 5.341 11.556 ( -5.137 1.298 -0.676) 5.341 11.929 ( -8.335 -3.496 0.886) 9.082 11.929 ( -8.335 3.496 0.886) 9.082 12.040 ( -10.275 -1.386 -0.466) 10.379 12.040 ( -10.275 1.386 -0.466) 10.379 12.794 ( 0.598 -1.391 -0.007) 1.515 12.794 ( 0.598 1.391 -0.007) 1.515 12.845 ( 1.674 -1.023 -0.044) 1.962 12.845 ( 1.674 1.023 -0.044) 1.962 14.055 ( -13.950 -11.239 0.672) 17.927 14.055 ( -13.950 11.239 0.672) 17.927 14.072 ( -12.363 -10.928 -0.871) 16.523 14.072 ( -12.363 10.928 -0.871) 16.523 14.466 ( -3.702 -0.557 -0.987) 3.872 14.466 ( -3.702 0.557 -0.987) 3.872 14.516 ( -4.373 -0.637 1.400) 4.636 14.516 ( -4.373 0.637 1.400) 4.636 15.982 ( -8.407 -4.613 -0.144) 9.590 15.982 ( -8.407 4.613 -0.144) 9.590 16.029 ( -9.682 -4.655 0.063) 10.743 16.029 ( -9.682 4.655 0.063) 10.743 17.089 ( 16.444 -4.454 0.515) 17.044 17.089 ( 16.444 4.454 0.515) 17.044 17.136 ( 19.137 -3.719 -0.572) 19.503 17.136 ( 19.137 3.719 -0.572) 19.503 18.057 ( 2.248 -13.846 0.396) 14.033 18.057 ( 2.248 13.846 0.396) 14.033 18.094 ( 0.579 -13.988 -0.410) 14.006 18.094 ( 0.579 13.988 -0.410) 14.006 18.841 ( 6.476 -9.367 -0.513) 11.399 18.841 ( 6.476 9.367 -0.513) 11.399 18.888 ( 6.753 -8.093 0.496) 10.552 18.888 ( 6.753 8.093 0.496) 10.552 19.589 ( 1.304 -0.878 0.044) 1.572 19.589 ( 1.304 0.878 0.044) 1.572 19.926 ( -2.388 -4.157 0.139) 4.796 19.926 ( -2.388 4.157 0.139) 4.796 20.017 ( -0.800 -3.287 0.024) 3.383 20.017 ( -0.800 3.287 0.024) 3.383 20.204 ( 2.082 -1.169 -0.436) 2.428 20.204 ( 2.082 1.169 -0.436) 2.428 20.442 ( -2.328 -1.611 0.388) 2.858 20.442 ( -2.328 1.611 0.388) 2.858 21.005 ( -11.744 -7.036 -0.044) 13.691 21.005 ( -11.744 7.036 -0.044) 13.691 21.174 ( -20.256 -12.593 0.639) 23.860 21.174 ( -20.256 12.593 0.639) 23.860 21.250 ( -13.124 -4.738 -0.400) 13.959 21.250 ( -13.124 4.738 -0.400) 13.959 21.720 ( -5.680 -1.160 -0.234) 5.802 21.720 ( -5.680 1.160 -0.234) 5.802 21.774 ( -8.068 -1.106 -0.026) 8.143 21.774 ( -8.068 1.106 -0.026) 8.143 22.080 ( -2.213 -2.840 0.693) 3.666 22.080 ( -2.213 2.840 0.693) 3.666 22.098 ( -2.069 -2.772 -0.834) 3.558 22.098 ( -2.069 2.772 -0.834) 3.558 25.522 ( 8.270 -9.765 0.170) 12.797 25.522 ( 8.270 9.765 0.170) 12.797 25.556 ( 8.244 -10.366 0.632) 13.260 25.556 ( 8.244 10.366 0.632) 13.260 26.425 ( 6.835 -4.688 -1.008) 8.349 26.425 ( 6.835 4.688 -1.008) 8.349 26.508 ( 7.346 -5.349 -0.164) 9.089 26.508 ( 7.346 5.349 -0.164) 9.089 26.942 ( -0.139 -2.921 1.379) 3.233 26.942 ( -0.139 2.921 1.379) 3.233 27.036 ( -1.623 -4.012 -1.404) 4.550 27.036 ( -1.623 4.012 -1.404) 4.550 27.900 ( 2.712 -8.056 0.437) 8.511 27.900 ( 2.712 8.056 0.437) 8.511 28.076 ( 2.368 -8.994 0.088) 9.301 28.076 ( 2.368 8.994 0.088) 9.301 28.958 ( 10.175 -2.306 -1.018) 10.482 28.958 ( 10.175 2.306 -1.018) 10.482 29.108 ( 7.581 -5.094 1.021) 9.190 29.108 ( 7.581 5.094 1.021) 9.190 30.224 ( 14.771 -7.258 0.982) 16.487 30.224 ( 14.771 7.258 0.982) 16.487 30.450 ( 13.583 -10.687 -0.539) 17.291 30.450 ( 13.583 10.687 -0.539) 17.291 31.435 ( -16.730 -1.369 0.990) 16.816 31.435 ( -16.730 1.369 0.990) 16.816 31.550 ( -15.432 -4.654 -0.156) 16.119 31.550 ( -15.432 4.654 -0.156) 16.119 32.850 ( 1.210 -2.252 -0.028) 2.557 32.850 ( 1.210 2.252 -0.028) 2.557 32.902 ( 1.378 -1.861 -0.593) 2.391 32.902 ( 1.378 1.861 -0.593) 2.391 33.732 ( -3.618 -4.921 -0.731) 6.151 33.732 ( -3.618 4.921 -0.731) 6.151 34.080 ( -5.017 -3.924 0.216) 6.373 34.080 ( -5.017 3.924 0.216) 6.373 37.052 ( 9.118 -3.507 0.420) 9.778 37.052 ( 9.118 3.507 0.420) 9.778 37.298 ( 5.413 -6.636 0.100) 8.564 37.298 ( 5.413 6.636 0.100) 8.564 39.043 ( -4.410 -4.204 -0.894) 6.158 39.043 ( -4.410 4.204 -0.894) 6.158 39.595 ( 0.034 -3.691 -0.046) 3.692 39.595 ( 0.034 3.691 -0.046) 3.692 40.179 ( 3.357 -4.439 -0.828) 5.627 40.179 ( 3.357 4.439 -0.828) 5.627 40.557 ( 1.532 -5.249 0.566) 5.497 40.557 ( 1.532 5.249 0.566) 5.497 40.801 ( -0.444 -5.318 4.243) 6.818 40.801 ( -0.444 5.318 4.243) 6.818 41.022 ( 1.062 -5.206 -5.316) 7.516 41.022 ( 1.062 5.206 -5.316) 7.516 42.185 ( -4.275 -14.561 8.465) 17.377 42.185 ( -4.275 14.561 8.465) 17.377 42.393 ( -4.929 -4.284 -7.127) 9.666 42.393 ( -4.929 4.284 -7.127) 9.666 43.345 ( 9.052 -4.496 -0.768) 10.136 43.345 ( 9.052 4.496 -0.768) 10.136 43.617 ( 6.264 -6.288 0.791) 8.910 43.617 ( 6.264 6.288 0.791) 8.910 ======================= Grid point 130 (60/60) ======================= q-point: ( 0.43 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 5.611 -5.208 1.950) 7.900 1.980 ( 5.611 5.208 1.950) 7.900 2.118 ( -1.331 -5.149 -1.735) 5.594 2.118 ( -1.331 5.149 -1.735) 5.594 2.262 ( 1.875 -2.119 2.751) 3.947 2.262 ( 1.875 2.119 2.751) 3.947 2.518 ( 2.670 -1.867 -0.576) 3.309 2.518 ( 2.670 1.867 -0.576) 3.309 2.907 ( 6.799 -2.569 -9.745) 12.157 2.907 ( 6.799 2.569 -9.745) 12.157 2.982 ( 0.595 -4.803 7.689) 9.085 2.982 ( 0.595 4.803 7.689) 9.085 3.111 ( 2.090 -2.931 0.007) 3.600 3.111 ( 2.090 2.931 0.007) 3.600 3.242 ( -2.418 -2.609 -1.261) 3.774 3.242 ( -2.418 2.609 -1.261) 3.774 3.500 ( 5.101 -2.352 -0.263) 5.623 3.500 ( 5.101 2.352 -0.263) 5.623 3.778 ( 1.444 -4.207 0.998) 4.558 3.778 ( 1.444 4.207 0.998) 4.558 3.852 ( 0.340 -5.032 1.381) 5.229 3.852 ( 0.340 5.032 1.381) 5.229 3.924 ( -3.252 -2.343 0.691) 4.067 3.924 ( -3.252 2.343 0.691) 4.067 4.065 ( 5.398 -0.458 2.955) 6.171 4.065 ( 5.398 0.458 2.955) 6.171 4.167 ( 0.154 -3.219 -5.065) 6.004 4.167 ( 0.154 3.219 -5.065) 6.004 4.330 ( 2.461 -3.265 -3.001) 5.071 4.330 ( 2.461 3.265 -3.001) 5.071 4.389 ( -1.155 -4.043 -0.161) 4.207 4.389 ( -1.155 4.043 -0.161) 4.207 4.601 ( 0.870 -2.775 3.429) 4.496 4.601 ( 0.870 2.775 3.429) 4.496 4.640 ( -1.773 -5.498 -0.525) 5.800 4.640 ( -1.773 5.498 -0.525) 5.800 4.991 ( -1.348 -2.036 2.075) 3.204 4.991 ( -1.348 2.036 2.075) 3.204 5.102 ( -3.782 -2.400 -3.508) 5.689 5.102 ( -3.782 2.400 -3.508) 5.689 5.338 ( 3.987 -2.256 2.098) 5.039 5.338 ( 3.987 2.256 2.098) 5.039 5.538 ( -4.348 -1.677 0.235) 4.666 5.538 ( -4.348 1.677 0.235) 4.666 6.144 ( 4.676 -1.693 2.521) 5.576 6.144 ( 4.676 1.693 2.521) 5.576 6.215 ( 3.860 -1.218 -1.484) 4.311 6.215 ( 3.860 1.218 -1.484) 4.311 6.640 ( 5.933 -1.591 -1.783) 6.397 6.640 ( 5.933 1.591 -1.783) 6.397 6.773 ( -5.680 -4.154 0.813) 7.084 6.773 ( -5.680 4.154 0.813) 7.084 7.030 ( -2.025 -4.689 2.360) 5.627 7.030 ( -2.025 4.689 2.360) 5.627 7.130 ( -0.804 -2.270 -2.552) 3.508 7.130 ( -0.804 2.270 -2.552) 3.508 7.941 ( 14.311 -3.524 -1.076) 14.778 7.941 ( 14.311 3.524 -1.076) 14.778 8.040 ( 17.187 -1.675 0.726) 17.283 8.040 ( 17.187 1.675 0.726) 17.283 8.507 ( 4.305 -1.041 2.751) 5.214 8.507 ( 4.305 1.041 2.751) 5.214 8.614 ( -0.362 -3.059 -2.394) 3.901 8.614 ( -0.362 3.059 -2.394) 3.901 9.458 ( -1.221 -1.627 -0.366) 2.067 9.458 ( -1.221 1.627 -0.366) 2.067 9.496 ( -2.293 -0.275 0.321) 2.332 9.496 ( -2.293 0.275 0.321) 2.332 10.332 ( 1.135 -1.486 -1.222) 2.234 10.332 ( 1.135 1.486 -1.222) 2.234 10.444 ( 1.586 -1.285 1.121) 2.329 10.444 ( 1.586 1.285 1.121) 2.329 11.331 ( -2.938 -1.647 0.244) 3.377 11.331 ( -2.938 1.647 0.244) 3.377 11.417 ( -6.558 -3.233 -0.323) 7.319 11.417 ( -6.558 3.233 -0.323) 7.319 11.785 ( -3.957 -4.100 0.454) 5.716 11.785 ( -3.957 4.100 0.454) 5.716 11.854 ( -5.206 -3.342 -0.314) 6.195 11.854 ( -5.206 3.342 -0.314) 6.195 12.801 ( 0.071 -0.724 0.411) 0.835 12.801 ( 0.071 0.724 0.411) 0.835 12.865 ( 0.274 -0.402 -0.445) 0.660 12.865 ( 0.274 0.402 -0.445) 0.660 13.814 ( -6.428 -8.458 0.767) 10.651 13.814 ( -6.428 8.458 0.767) 10.651 13.842 ( -6.862 -8.491 -0.793) 10.946 13.842 ( -6.862 8.491 -0.793) 10.946 14.421 ( -0.828 -0.300 -0.366) 0.954 14.421 ( -0.828 0.300 -0.366) 0.954 14.460 ( -1.291 -0.236 0.537) 1.418 14.460 ( -1.291 0.236 0.537) 1.418 15.852 ( -2.955 -2.463 -0.300) 3.859 15.852 ( -2.955 2.463 -0.300) 3.859 15.868 ( -4.440 -2.393 0.199) 5.048 15.868 ( -4.440 2.393 0.199) 5.048 17.377 ( 8.974 -8.685 0.834) 12.516 17.377 ( 8.974 8.685 0.834) 12.516 17.432 ( 5.586 -7.880 -0.904) 9.701 17.432 ( 5.586 7.880 -0.904) 9.701 18.105 ( 2.699 -11.951 -0.804) 12.278 18.105 ( 2.699 11.951 -0.804) 12.278 18.140 ( 1.912 -10.967 0.907) 11.170 18.140 ( 1.912 10.967 0.907) 11.170 19.011 ( 7.683 -3.979 -0.372) 8.660 19.011 ( 7.683 3.979 -0.372) 8.660 19.060 ( 7.811 -3.674 0.329) 8.638 19.060 ( 7.811 3.674 0.329) 8.638 19.612 ( 0.332 -1.677 -0.110) 1.713 19.612 ( 0.332 1.677 -0.110) 1.713 19.839 ( -4.220 -3.693 1.186) 5.731 19.839 ( -4.220 3.693 1.186) 5.731 19.912 ( -8.221 -3.539 -1.297) 9.044 19.912 ( -8.221 3.539 -1.297) 9.044 20.217 ( -0.921 -2.686 0.220) 2.848 20.217 ( -0.921 2.686 0.220) 2.848 20.394 ( -1.295 -1.599 0.254) 2.073 20.394 ( -1.295 1.599 0.254) 2.073 20.662 ( -10.616 -7.098 -0.250) 12.773 20.662 ( -10.616 7.098 -0.250) 12.773 20.789 ( -10.418 -5.830 0.130) 11.939 20.789 ( -10.418 5.830 0.130) 11.939 21.171 ( -0.147 -0.560 -0.078) 0.584 21.171 ( -0.147 0.560 -0.078) 0.584 21.660 ( -0.928 -1.158 0.222) 1.500 21.660 ( -0.928 1.158 0.222) 1.500 21.678 ( -1.873 -0.527 -0.226) 1.959 21.678 ( -1.873 0.527 -0.226) 1.959 22.060 ( -0.253 -0.827 0.026) 0.865 22.060 ( -0.253 0.827 0.026) 0.865 22.087 ( -0.017 -0.674 -0.048) 0.676 22.087 ( -0.017 0.674 -0.048) 0.676 25.634 ( 2.488 -4.132 0.019) 4.823 25.634 ( 2.488 4.132 0.019) 4.823 25.663 ( 2.206 -4.718 0.233) 5.214 25.663 ( 2.206 4.718 0.233) 5.214 26.552 ( 4.271 -3.793 0.303) 5.720 26.552 ( 4.271 3.793 0.303) 5.720 26.612 ( 1.746 -4.614 -0.991) 5.032 26.612 ( 1.746 4.614 -0.991) 5.032 26.948 ( 0.951 -2.589 2.809) 3.936 26.948 ( 0.951 2.589 2.809) 3.936 26.989 ( -2.274 -3.009 -2.632) 4.599 26.989 ( -2.274 3.009 -2.632) 4.599 27.945 ( 1.175 -3.012 0.204) 3.239 27.945 ( 1.175 3.012 0.204) 3.239 28.112 ( 0.870 -3.127 0.063) 3.247 28.112 ( 0.870 3.127 0.063) 3.247 29.138 ( 5.485 -1.173 -0.341) 5.619 29.138 ( 5.485 1.173 -0.341) 5.619 29.215 ( 2.289 -2.563 0.348) 3.454 29.215 ( 2.289 2.563 0.348) 3.454 30.577 ( 17.209 -7.270 0.274) 18.684 30.577 ( 17.209 7.270 0.274) 18.684 30.751 ( 11.685 -8.980 -0.235) 14.739 30.751 ( 11.685 8.980 -0.235) 14.739 31.068 ( -14.739 -4.001 -0.592) 15.284 31.068 ( -14.739 4.001 -0.592) 15.284 31.199 ( -16.059 -6.425 0.974) 17.324 31.199 ( -16.059 6.425 0.974) 17.324 32.875 ( 0.898 -1.166 -0.367) 1.517 32.875 ( 0.898 1.166 -0.367) 1.517 32.922 ( 0.376 -0.753 0.249) 0.878 32.922 ( 0.376 0.753 0.249) 0.878 33.678 ( -1.273 -2.075 -0.395) 2.466 33.678 ( -1.273 2.075 -0.395) 2.466 34.006 ( -1.739 -1.694 0.091) 2.430 34.006 ( -1.739 1.694 0.091) 2.430 37.208 ( 4.444 -2.764 0.313) 5.243 37.208 ( 4.444 2.764 0.313) 5.243 37.372 ( 1.489 -3.944 -0.141) 4.218 37.372 ( 1.489 3.944 -0.141) 4.218 38.977 ( -1.601 -1.637 -0.048) 2.290 38.977 ( -1.601 1.637 -0.048) 2.290 39.591 ( -0.141 -1.339 -0.155) 1.355 39.591 ( -0.141 1.339 -0.155) 1.355 40.242 ( 2.029 -2.607 -0.624) 3.362 40.242 ( 2.029 2.607 -0.624) 3.362 40.557 ( -0.832 -0.385 0.877) 1.269 40.557 ( -0.832 0.385 0.877) 1.269 40.818 ( 0.915 -4.628 1.495) 4.948 40.818 ( 0.915 4.628 1.495) 4.948 41.022 ( -0.159 -3.026 -2.285) 3.796 41.022 ( -0.159 3.026 -2.285) 3.796 42.128 ( -1.618 -6.470 2.610) 7.162 42.128 ( -1.618 6.470 2.610) 7.162 42.319 ( -1.476 -2.774 -2.039) 3.746 42.319 ( -1.476 2.774 -2.039) 3.746 43.487 ( 3.696 -1.848 -0.519) 4.165 43.487 ( 3.696 1.848 -0.519) 4.165 43.707 ( 2.042 -3.030 0.446) 3.681 43.707 ( 2.042 3.030 0.446) 3.681 =================== 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 3/32256 10.0 85.744 57.074 53.330 0.000 -5.232 0.000 3/32256 20.0 25.898 12.385 14.464 0.000 -2.860 0.000 3/32256 30.0 12.302 5.261 6.630 0.000 -1.311 0.000 3/32256 40.0 7.423 3.093 3.943 0.000 -0.753 0.000 3/32256 50.0 5.183 2.153 2.734 0.000 -0.505 0.000 3/32256 60.0 3.965 1.649 2.081 0.000 -0.373 0.000 3/32256 70.0 3.221 1.342 1.679 0.000 -0.294 0.000 3/32256 80.0 2.727 1.138 1.410 0.000 -0.242 0.000 3/32256 90.0 2.379 0.996 1.218 0.000 -0.206 0.000 3/32256 100.0 2.124 0.894 1.073 0.000 -0.179 0.000 3/32256 110.0 1.931 0.818 0.960 0.000 -0.158 0.000 3/32256 120.0 1.782 0.761 0.870 0.000 -0.142 0.000 3/32256 130.0 1.665 0.718 0.796 0.000 -0.129 0.000 3/32256 140.0 1.571 0.684 0.734 0.000 -0.118 0.000 3/32256 150.0 1.495 0.658 0.681 0.000 -0.109 0.000 3/32256 160.0 1.432 0.637 0.636 0.000 -0.101 0.000 3/32256 170.0 1.379 0.620 0.597 0.000 -0.094 0.000 3/32256 180.0 1.334 0.607 0.562 0.000 -0.088 0.000 3/32256 190.0 1.295 0.595 0.532 0.000 -0.083 0.000 3/32256 200.0 1.260 0.585 0.505 0.000 -0.079 0.000 3/32256 210.0 1.230 0.576 0.481 0.000 -0.075 0.000 3/32256 220.0 1.201 0.568 0.459 0.000 -0.071 0.000 3/32256 230.0 1.176 0.561 0.439 0.000 -0.067 0.000 3/32256 240.0 1.152 0.554 0.421 0.000 -0.064 0.000 3/32256 250.0 1.129 0.547 0.405 0.000 -0.062 0.000 3/32256 260.0 1.108 0.541 0.390 0.000 -0.059 0.000 3/32256 270.0 1.087 0.535 0.376 0.000 -0.057 0.000 3/32256 280.0 1.068 0.528 0.364 0.000 -0.055 0.000 3/32256 290.0 1.049 0.522 0.352 0.000 -0.053 0.000 3/32256 300.0 1.031 0.516 0.342 0.000 -0.051 0.000 3/32256 310.0 1.014 0.510 0.332 0.000 -0.049 0.000 3/32256 320.0 0.997 0.504 0.322 0.000 -0.047 0.000 3/32256 330.0 0.981 0.498 0.314 0.000 -0.046 0.000 3/32256 340.0 0.965 0.492 0.306 0.000 -0.044 0.000 3/32256 350.0 0.949 0.487 0.298 0.000 -0.043 0.000 3/32256 360.0 0.934 0.481 0.291 0.000 -0.042 0.000 3/32256 370.0 0.920 0.475 0.284 0.000 -0.041 0.000 3/32256 380.0 0.905 0.469 0.278 0.000 -0.040 0.000 3/32256 390.0 0.892 0.464 0.272 0.000 -0.039 0.000 3/32256 400.0 0.878 0.458 0.267 0.000 -0.038 0.000 3/32256 410.0 0.865 0.453 0.261 0.000 -0.037 0.000 3/32256 420.0 0.852 0.447 0.256 0.000 -0.036 0.000 3/32256 430.0 0.840 0.442 0.252 0.000 -0.035 0.000 3/32256 440.0 0.827 0.437 0.247 0.000 -0.034 0.000 3/32256 450.0 0.815 0.431 0.243 0.000 -0.034 0.000 3/32256 460.0 0.804 0.426 0.239 0.000 -0.033 0.000 3/32256 470.0 0.792 0.421 0.235 0.000 -0.032 0.000 3/32256 480.0 0.781 0.416 0.231 0.000 -0.032 0.000 3/32256 490.0 0.771 0.411 0.227 0.000 -0.031 0.000 3/32256 500.0 0.760 0.406 0.224 0.000 -0.030 0.000 3/32256 510.0 0.750 0.402 0.220 0.000 -0.030 0.000 3/32256 520.0 0.740 0.397 0.217 0.000 -0.029 0.000 3/32256 530.0 0.730 0.392 0.214 0.000 -0.029 0.000 3/32256 540.0 0.720 0.388 0.211 0.000 -0.028 0.000 3/32256 550.0 0.711 0.384 0.208 0.000 -0.028 0.000 3/32256 560.0 0.702 0.379 0.205 0.000 -0.027 0.000 3/32256 570.0 0.693 0.375 0.203 0.000 -0.027 0.000 3/32256 580.0 0.684 0.371 0.200 0.000 -0.026 0.000 3/32256 590.0 0.675 0.367 0.197 0.000 -0.026 0.000 3/32256 600.0 0.667 0.363 0.195 0.000 -0.026 0.000 3/32256 610.0 0.659 0.359 0.192 0.000 -0.025 0.000 3/32256 620.0 0.651 0.355 0.190 0.000 -0.025 0.000 3/32256 630.0 0.643 0.351 0.188 0.000 -0.024 0.000 3/32256 640.0 0.635 0.347 0.186 0.000 -0.024 0.000 3/32256 650.0 0.628 0.343 0.184 0.000 -0.024 0.000 3/32256 660.0 0.621 0.340 0.181 0.000 -0.023 0.000 3/32256 670.0 0.613 0.336 0.179 0.000 -0.023 0.000 3/32256 680.0 0.606 0.333 0.177 0.000 -0.023 0.000 3/32256 690.0 0.600 0.329 0.176 0.000 -0.023 0.000 3/32256 700.0 0.593 0.326 0.174 0.000 -0.022 0.000 3/32256 710.0 0.586 0.323 0.172 0.000 -0.022 0.000 3/32256 720.0 0.580 0.319 0.170 0.000 -0.022 0.000 3/32256 730.0 0.573 0.316 0.168 0.000 -0.021 0.000 3/32256 740.0 0.567 0.313 0.167 0.000 -0.021 0.000 3/32256 750.0 0.561 0.310 0.165 0.000 -0.021 0.000 3/32256 760.0 0.555 0.307 0.163 0.000 -0.021 0.000 3/32256 770.0 0.549 0.304 0.162 0.000 -0.020 0.000 3/32256 780.0 0.544 0.301 0.160 0.000 -0.020 0.000 3/32256 790.0 0.538 0.298 0.159 0.000 -0.020 0.000 3/32256 800.0 0.533 0.295 0.157 0.000 -0.020 0.000 3/32256 810.0 0.527 0.293 0.156 0.000 -0.020 0.000 3/32256 820.0 0.522 0.290 0.154 0.000 -0.019 0.000 3/32256 830.0 0.517 0.287 0.153 0.000 -0.019 0.000 3/32256 840.0 0.512 0.285 0.151 0.000 -0.019 0.000 3/32256 850.0 0.507 0.282 0.150 0.000 -0.019 0.000 3/32256 860.0 0.502 0.279 0.149 0.000 -0.019 0.000 3/32256 870.0 0.497 0.277 0.147 0.000 -0.018 0.000 3/32256 880.0 0.492 0.274 0.146 0.000 -0.018 0.000 3/32256 890.0 0.488 0.272 0.145 0.000 -0.018 0.000 3/32256 900.0 0.483 0.270 0.143 0.000 -0.018 0.000 3/32256 910.0 0.479 0.267 0.142 0.000 -0.018 0.000 3/32256 920.0 0.474 0.265 0.141 0.000 -0.017 0.000 3/32256 930.0 0.470 0.263 0.140 0.000 -0.017 0.000 3/32256 940.0 0.466 0.260 0.139 0.000 -0.017 0.000 3/32256 950.0 0.461 0.258 0.138 0.000 -0.017 0.000 3/32256 960.0 0.457 0.256 0.136 0.000 -0.017 0.000 3/32256 970.0 0.453 0.254 0.135 0.000 -0.017 0.000 3/32256 980.0 0.449 0.252 0.134 0.000 -0.016 0.000 3/32256 990.0 0.445 0.250 0.133 0.000 -0.016 0.000 3/32256 1000.0 0.442 0.248 0.132 0.000 -0.016 0.000 3/32256 Thermal conductivity related properties were written into "kappa-m764.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:34:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|