----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:05:48]------------------------- 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: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.712666925675643 -4.807414135000000 0.000000000000000 b 8.712666925675643 4.807414135000000 0.000000000000000 c -8.199570939762731 0.000000000000000 8.720365285729233 Atomic positions (fractional): *1 Na 0.58598420573139 0.61136151722188 0.46497854706888 22.990 *2 Na 0.99320695751224 0.00679304248776 0.75000000000000 22.990 *3 Na 0.60478998951859 0.09778431856884 0.22255652397253 22.990 4 Na 0.39521001048141 0.90221568143116 0.77744347602747 22.990 5 Na 0.41401579426861 0.38863848277812 0.53502145293112 22.990 6 Na 0.00679304248776 0.99320695751224 0.25000000000000 22.990 7 Na 0.09778431856884 0.60478998951859 0.72255652397253 22.990 8 Na 0.90221568143116 0.39521001048141 0.27744347602747 22.990 9 Na 0.61136151722188 0.58598420573139 0.96497854706888 22.990 10 Na 0.38863848277812 0.41401579426861 0.03502145293112 22.990 *11 Li 0.19272969270269 0.19093209461305 0.62443494879661 6.941 12 Li 0.80906790538695 0.80727030729731 0.87556505120339 6.941 13 Li 0.19093209461305 0.19272969270269 0.12443494879661 6.941 *14 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 15 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 16 Li 0.80727030729731 0.80906790538695 0.37556505120339 6.941 *17 Ti 0.15063822174551 0.68154973085458 0.36427096034274 47.867 18 Ti 0.84936177825449 0.31845026914542 0.63572903965726 47.867 19 Ti 0.68154973085459 0.15063822174551 0.86427096034274 47.867 20 Ti 0.31845026914542 0.84936177825449 0.13572903965726 47.867 *21 S 0.57506405749153 0.68423587424696 0.25138733746828 32.065 *22 S 0.88264363830388 0.29029730599334 0.99332783319603 32.065 23 S 0.42493594250847 0.31576412575304 0.74861266253172 32.065 *24 S 0.24182265840033 0.11809785237625 0.30831757081188 32.065 *25 S 0.89437603607271 0.33283120352361 0.47854237223624 32.065 26 S 0.31576412575304 0.42493594250847 0.24861266253172 32.065 27 S 0.75817734159967 0.88190214762375 0.69168242918812 32.065 28 S 0.70970269400666 0.11735636169612 0.50667216680397 32.065 29 S 0.66716879647639 0.10562396392729 0.02145762776376 32.065 30 S 0.33283120352361 0.89437603607271 0.97854237223624 32.065 31 S 0.11809785237625 0.24182265840033 0.80831757081188 32.065 32 S 0.88190214762375 0.75817734159967 0.19168242918812 32.065 33 S 0.11735636169612 0.70970269400666 0.00667216680397 32.065 34 S 0.29029730599334 0.88264363830388 0.49332783319603 32.065 35 S 0.68423587424696 0.57506405749153 0.75138733746828 32.065 36 S 0.10562396392729 0.66716879647639 0.52145762776376 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 17.425333851351287 0.000000000000000 0.000000000000000 b 0.000000000000000 9.614828270000000 0.000000000000000 c -8.199570939762731 0.000000000000000 8.720365285729233 Atomic positions (fractional): *1 Na 0.09867286147663 0.51268865574524 0.46497854706888 22.990 > 1 *2 Na 0.00000000000000 0.00679304248776 0.75000000000000 22.990 > 2 *3 Na 0.85128715404372 0.24649716452513 0.22255652397253 22.990 > 3 4 Na 0.14871284595628 0.75350283547487 0.77744347602747 22.990 > 4 5 Na 0.90132713852337 0.48731134425476 0.53502145293112 22.990 > 5 6 Na 0.00000000000000 0.99320695751224 0.25000000000000 22.990 > 6 7 Na 0.35128715404372 0.25350283547487 0.72255652397253 22.990 > 7 8 Na 0.64871284595628 0.74649716452513 0.27744347602747 22.990 > 8 9 Na 0.09867286147663 0.48731134425476 0.96497854706888 22.990 > 9 10 Na 0.90132713852337 0.51268865574524 0.03502145293112 22.990 > 10 11 Na 0.59867286147663 0.01268865574524 0.46497854706888 22.990 > 1 12 Na 0.50000000000000 0.50679304248776 0.75000000000000 22.990 > 2 13 Na 0.35128715404372 0.74649716452513 0.22255652397253 22.990 > 3 14 Na 0.64871284595628 0.25350283547487 0.77744347602747 22.990 > 4 15 Na 0.40132713852337 0.98731134425476 0.53502145293112 22.990 > 5 16 Na 0.50000000000000 0.49320695751224 0.25000000000000 22.990 > 6 17 Na 0.85128715404372 0.75350283547487 0.72255652397253 22.990 > 7 18 Na 0.14871284595628 0.24649716452513 0.27744347602747 22.990 > 8 19 Na 0.59867286147663 0.98731134425476 0.96497854706888 22.990 > 9 20 Na 0.40132713852337 0.01268865574524 0.03502145293112 22.990 > 10 *21 Li 0.19183089365787 0.99910120095518 0.62443494879661 6.941 > 11 22 Li 0.30816910634213 0.49910120095518 0.87556505120339 6.941 > 12 23 Li 0.69183089365787 0.50089879904482 0.12443494879661 6.941 > 13 *24 Li 0.75000000000000 0.25000000000000 0.50000000000000 6.941 > 14 25 Li 0.25000000000000 0.25000000000000 0.00000000000000 6.941 > 15 26 Li 0.80816910634213 0.00089879904482 0.37556505120339 6.941 > 16 27 Li 0.69183089365787 0.49910120095518 0.62443494879661 6.941 > 11 28 Li 0.80816910634213 0.99910120095518 0.87556505120339 6.941 > 12 29 Li 0.19183089365787 0.00089879904482 0.12443494879661 6.941 > 13 30 Li 0.25000000000000 0.75000000000000 0.50000000000000 6.941 > 14 31 Li 0.75000000000000 0.75000000000000 0.00000000000000 6.941 > 15 32 Li 0.30816910634213 0.50089879904482 0.37556505120339 6.941 > 16 *33 Ti 0.91609397630005 0.76545575455454 0.36427096034274 47.867 > 17 34 Ti 0.08390602369995 0.23454424544546 0.63572903965726 47.867 > 18 35 Ti 0.41609397630005 0.73454424544546 0.86427096034274 47.867 > 19 36 Ti 0.58390602369995 0.26545575455454 0.13572903965726 47.867 > 20 37 Ti 0.41609397630005 0.26545575455454 0.36427096034274 47.867 > 17 38 Ti 0.58390602369995 0.73454424544546 0.63572903965726 47.867 > 18 39 Ti 0.91609397630005 0.23454424544546 0.86427096034274 47.867 > 19 40 Ti 0.08390602369995 0.76545575455454 0.13572903965726 47.867 > 20 *41 S 0.62964996586925 0.05458590837772 0.25138733746828 32.065 > 21 *42 S 0.08647047214861 0.20382683384473 0.99332783319603 32.065 > 22 43 S 0.37035003413075 0.94541409162228 0.74861266253172 32.065 > 23 *44 S 0.67996025538829 0.43813759698796 0.30831757081188 32.065 > 24 *45 S 0.11360361979816 0.21922758372545 0.47854237223624 32.065 > 25 46 S 0.87035003413075 0.55458590837772 0.24861266253172 32.065 > 26 47 S 0.32003974461171 0.56186240301204 0.69168242918812 32.065 > 27 48 S 0.91352952785139 0.20382683384473 0.50667216680397 32.065 > 28 49 S 0.88639638020184 0.21922758372545 0.02145762776376 32.065 > 29 50 S 0.11360361979816 0.78077241627455 0.97854237223624 32.065 > 30 51 S 0.17996025538829 0.06186240301204 0.80831757081188 32.065 > 31 52 S 0.82003974461171 0.93813759698796 0.19168242918812 32.065 > 32 53 S 0.91352952785139 0.79617316615527 0.00667216680397 32.065 > 33 54 S 0.08647047214861 0.79617316615527 0.49332783319603 32.065 > 34 55 S 0.12964996586925 0.44541409162229 0.75138733746828 32.065 > 35 56 S 0.88639638020184 0.78077241627455 0.52145762776376 32.065 > 36 57 S 0.12964996586925 0.55458590837772 0.25138733746828 32.065 > 21 58 S 0.58647047214861 0.70382683384473 0.99332783319603 32.065 > 22 59 S 0.87035003413075 0.44541409162229 0.74861266253172 32.065 > 23 60 S 0.17996025538829 0.93813759698796 0.30831757081188 32.065 > 24 61 S 0.61360361979816 0.71922758372545 0.47854237223624 32.065 > 25 62 S 0.37035003413075 0.05458590837772 0.24861266253172 32.065 > 26 63 S 0.82003974461171 0.06186240301204 0.69168242918812 32.065 > 27 64 S 0.41352952785139 0.70382683384473 0.50667216680397 32.065 > 28 65 S 0.38639638020184 0.71922758372545 0.02145762776376 32.065 > 29 66 S 0.61360361979816 0.28077241627455 0.97854237223624 32.065 > 30 67 S 0.67996025538829 0.56186240301204 0.80831757081188 32.065 > 31 68 S 0.32003974461171 0.43813759698796 0.19168242918812 32.065 > 32 69 S 0.41352952785139 0.29617316615527 0.00667216680397 32.065 > 33 70 S 0.58647047214861 0.29617316615527 0.49332783319603 32.065 > 34 71 S 0.62964996586925 0.94541409162228 0.75138733746828 32.065 > 35 72 S 0.38639638020184 0.28077241627455 0.52145762776376 32.065 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.425333851351287 0.000000000000000 0.000000000000000 b 0.000000000000000 19.229656540000001 0.000000000000000 c -8.199570939762731 0.000000000000000 8.720365285729233 Atomic positions (fractional): *1 Na 0.09867286147663 0.25634432787262 0.46497854706888 22.990 > 1 2 Na 0.09867286147663 0.75634432787262 0.46497854706888 22.990 > 1 *3 Na 0.00000000000000 0.00339652124388 0.75000000000000 22.990 > 2 4 Na 0.00000000000000 0.50339652124388 0.75000000000000 22.990 > 2 *5 Na 0.85128715404372 0.12324858226256 0.22255652397253 22.990 > 3 6 Na 0.85128715404372 0.62324858226256 0.22255652397253 22.990 > 3 7 Na 0.14871284595628 0.37675141773744 0.77744347602747 22.990 > 4 8 Na 0.14871284595628 0.87675141773744 0.77744347602747 22.990 > 4 9 Na 0.90132713852337 0.24365567212738 0.53502145293112 22.990 > 5 10 Na 0.90132713852337 0.74365567212738 0.53502145293112 22.990 > 5 11 Na 0.00000000000000 0.49660347875612 0.25000000000000 22.990 > 6 12 Na 0.00000000000000 0.99660347875612 0.25000000000000 22.990 > 6 13 Na 0.35128715404372 0.12675141773744 0.72255652397253 22.990 > 7 14 Na 0.35128715404372 0.62675141773744 0.72255652397253 22.990 > 7 15 Na 0.64871284595628 0.37324858226256 0.27744347602747 22.990 > 8 16 Na 0.64871284595628 0.87324858226256 0.27744347602747 22.990 > 8 17 Na 0.09867286147663 0.24365567212738 0.96497854706888 22.990 > 9 18 Na 0.09867286147663 0.74365567212738 0.96497854706888 22.990 > 9 19 Na 0.90132713852337 0.25634432787262 0.03502145293112 22.990 > 10 20 Na 0.90132713852337 0.75634432787262 0.03502145293112 22.990 > 10 21 Na 0.59867286147663 0.00634432787262 0.46497854706888 22.990 > 1 22 Na 0.59867286147663 0.50634432787262 0.46497854706888 22.990 > 1 23 Na 0.50000000000000 0.25339652124388 0.75000000000000 22.990 > 2 24 Na 0.50000000000000 0.75339652124388 0.75000000000000 22.990 > 2 25 Na 0.35128715404372 0.37324858226256 0.22255652397253 22.990 > 3 26 Na 0.35128715404372 0.87324858226256 0.22255652397253 22.990 > 3 27 Na 0.64871284595628 0.12675141773744 0.77744347602747 22.990 > 4 28 Na 0.64871284595628 0.62675141773744 0.77744347602747 22.990 > 4 29 Na 0.40132713852337 0.49365567212738 0.53502145293112 22.990 > 5 30 Na 0.40132713852337 0.99365567212738 0.53502145293112 22.990 > 5 31 Na 0.50000000000000 0.24660347875612 0.25000000000000 22.990 > 6 32 Na 0.50000000000000 0.74660347875612 0.25000000000000 22.990 > 6 33 Na 0.85128715404372 0.37675141773744 0.72255652397253 22.990 > 7 34 Na 0.85128715404372 0.87675141773744 0.72255652397253 22.990 > 7 35 Na 0.14871284595628 0.12324858226256 0.27744347602747 22.990 > 8 36 Na 0.14871284595628 0.62324858226256 0.27744347602747 22.990 > 8 37 Na 0.59867286147663 0.49365567212738 0.96497854706888 22.990 > 9 38 Na 0.59867286147663 0.99365567212738 0.96497854706888 22.990 > 9 39 Na 0.40132713852337 0.00634432787262 0.03502145293112 22.990 > 10 40 Na 0.40132713852337 0.50634432787262 0.03502145293112 22.990 > 10 *41 Li 0.19183089365787 0.49955060047759 0.62443494879661 6.941 > 11 42 Li 0.19183089365787 0.99955060047759 0.62443494879661 6.941 > 11 43 Li 0.30816910634213 0.24955060047759 0.87556505120339 6.941 > 12 44 Li 0.30816910634213 0.74955060047759 0.87556505120339 6.941 > 12 45 Li 0.69183089365787 0.25044939952241 0.12443494879661 6.941 > 13 46 Li 0.69183089365787 0.75044939952241 0.12443494879661 6.941 > 13 *47 Li 0.75000000000000 0.12500000000000 0.50000000000000 6.941 > 14 48 Li 0.75000000000000 0.62500000000000 0.50000000000000 6.941 > 14 49 Li 0.25000000000000 0.12500000000000 0.00000000000000 6.941 > 15 50 Li 0.25000000000000 0.62500000000000 0.00000000000000 6.941 > 15 51 Li 0.80816910634213 0.00044939952241 0.37556505120339 6.941 > 16 52 Li 0.80816910634213 0.50044939952241 0.37556505120339 6.941 > 16 53 Li 0.69183089365787 0.24955060047759 0.62443494879661 6.941 > 11 54 Li 0.69183089365787 0.74955060047759 0.62443494879661 6.941 > 11 55 Li 0.80816910634213 0.49955060047759 0.87556505120339 6.941 > 12 56 Li 0.80816910634213 0.99955060047759 0.87556505120339 6.941 > 12 57 Li 0.19183089365787 0.00044939952241 0.12443494879661 6.941 > 13 58 Li 0.19183089365787 0.50044939952241 0.12443494879661 6.941 > 13 59 Li 0.25000000000000 0.37500000000000 0.50000000000000 6.941 > 14 60 Li 0.25000000000000 0.87500000000000 0.50000000000000 6.941 > 14 61 Li 0.75000000000000 0.37500000000000 0.00000000000000 6.941 > 15 62 Li 0.75000000000000 0.87500000000000 0.00000000000000 6.941 > 15 63 Li 0.30816910634213 0.25044939952241 0.37556505120339 6.941 > 16 64 Li 0.30816910634213 0.75044939952241 0.37556505120339 6.941 > 16 *65 Ti 0.91609397630005 0.38272787727727 0.36427096034274 47.867 > 17 66 Ti 0.91609397630005 0.88272787727727 0.36427096034274 47.867 > 17 67 Ti 0.08390602369995 0.11727212272273 0.63572903965726 47.867 > 18 68 Ti 0.08390602369995 0.61727212272273 0.63572903965726 47.867 > 18 69 Ti 0.41609397630005 0.36727212272273 0.86427096034274 47.867 > 19 70 Ti 0.41609397630005 0.86727212272273 0.86427096034274 47.867 > 19 71 Ti 0.58390602369995 0.13272787727727 0.13572903965726 47.867 > 20 72 Ti 0.58390602369995 0.63272787727727 0.13572903965726 47.867 > 20 73 Ti 0.41609397630005 0.13272787727727 0.36427096034274 47.867 > 17 74 Ti 0.41609397630005 0.63272787727727 0.36427096034274 47.867 > 17 75 Ti 0.58390602369995 0.36727212272273 0.63572903965726 47.867 > 18 76 Ti 0.58390602369995 0.86727212272273 0.63572903965726 47.867 > 18 77 Ti 0.91609397630005 0.11727212272273 0.86427096034274 47.867 > 19 78 Ti 0.91609397630005 0.61727212272273 0.86427096034274 47.867 > 19 79 Ti 0.08390602369995 0.38272787727727 0.13572903965726 47.867 > 20 80 Ti 0.08390602369995 0.88272787727727 0.13572903965726 47.867 > 20 *81 S 0.62964996586925 0.02729295418886 0.25138733746828 32.065 > 21 82 S 0.62964996586925 0.52729295418886 0.25138733746828 32.065 > 21 *83 S 0.08647047214861 0.10191341692236 0.99332783319603 32.065 > 22 84 S 0.08647047214861 0.60191341692236 0.99332783319603 32.065 > 22 85 S 0.37035003413075 0.47270704581114 0.74861266253172 32.065 > 23 86 S 0.37035003413075 0.97270704581114 0.74861266253172 32.065 > 23 *87 S 0.67996025538829 0.21906879849398 0.30831757081188 32.065 > 24 88 S 0.67996025538829 0.71906879849398 0.30831757081188 32.065 > 24 *89 S 0.11360361979816 0.10961379186273 0.47854237223624 32.065 > 25 90 S 0.11360361979816 0.60961379186273 0.47854237223624 32.065 > 25 91 S 0.87035003413075 0.27729295418886 0.24861266253172 32.065 > 26 92 S 0.87035003413075 0.77729295418886 0.24861266253172 32.065 > 26 93 S 0.32003974461171 0.28093120150602 0.69168242918812 32.065 > 27 94 S 0.32003974461171 0.78093120150602 0.69168242918812 32.065 > 27 95 S 0.91352952785139 0.10191341692236 0.50667216680397 32.065 > 28 96 S 0.91352952785139 0.60191341692236 0.50667216680397 32.065 > 28 97 S 0.88639638020184 0.10961379186273 0.02145762776376 32.065 > 29 98 S 0.88639638020184 0.60961379186273 0.02145762776376 32.065 > 29 99 S 0.11360361979816 0.39038620813727 0.97854237223624 32.065 > 30 100 S 0.11360361979816 0.89038620813727 0.97854237223624 32.065 > 30 101 S 0.17996025538829 0.03093120150602 0.80831757081188 32.065 > 31 102 S 0.17996025538829 0.53093120150602 0.80831757081188 32.065 > 31 103 S 0.82003974461171 0.46906879849398 0.19168242918812 32.065 > 32 104 S 0.82003974461171 0.96906879849398 0.19168242918812 32.065 > 32 105 S 0.91352952785139 0.39808658307764 0.00667216680397 32.065 > 33 106 S 0.91352952785139 0.89808658307764 0.00667216680397 32.065 > 33 107 S 0.08647047214861 0.39808658307764 0.49332783319603 32.065 > 34 108 S 0.08647047214861 0.89808658307764 0.49332783319603 32.065 > 34 109 S 0.12964996586925 0.22270704581114 0.75138733746828 32.065 > 35 110 S 0.12964996586925 0.72270704581114 0.75138733746828 32.065 > 35 111 S 0.88639638020184 0.39038620813727 0.52145762776376 32.065 > 36 112 S 0.88639638020184 0.89038620813727 0.52145762776376 32.065 > 36 113 S 0.12964996586925 0.27729295418886 0.25138733746828 32.065 > 21 114 S 0.12964996586925 0.77729295418886 0.25138733746828 32.065 > 21 115 S 0.58647047214861 0.35191341692236 0.99332783319603 32.065 > 22 116 S 0.58647047214861 0.85191341692236 0.99332783319603 32.065 > 22 117 S 0.87035003413075 0.22270704581114 0.74861266253172 32.065 > 23 118 S 0.87035003413075 0.72270704581114 0.74861266253172 32.065 > 23 119 S 0.17996025538829 0.46906879849398 0.30831757081188 32.065 > 24 120 S 0.17996025538829 0.96906879849398 0.30831757081188 32.065 > 24 121 S 0.61360361979816 0.35961379186273 0.47854237223624 32.065 > 25 122 S 0.61360361979816 0.85961379186273 0.47854237223624 32.065 > 25 123 S 0.37035003413075 0.02729295418886 0.24861266253172 32.065 > 26 124 S 0.37035003413075 0.52729295418886 0.24861266253172 32.065 > 26 125 S 0.82003974461171 0.03093120150602 0.69168242918812 32.065 > 27 126 S 0.82003974461171 0.53093120150602 0.69168242918812 32.065 > 27 127 S 0.41352952785139 0.35191341692236 0.50667216680397 32.065 > 28 128 S 0.41352952785139 0.85191341692236 0.50667216680397 32.065 > 28 129 S 0.38639638020184 0.35961379186273 0.02145762776376 32.065 > 29 130 S 0.38639638020184 0.85961379186273 0.02145762776376 32.065 > 29 131 S 0.61360361979816 0.14038620813728 0.97854237223624 32.065 > 30 132 S 0.61360361979816 0.64038620813727 0.97854237223624 32.065 > 30 133 S 0.67996025538829 0.28093120150602 0.80831757081188 32.065 > 31 134 S 0.67996025538829 0.78093120150602 0.80831757081188 32.065 > 31 135 S 0.32003974461171 0.21906879849398 0.19168242918812 32.065 > 32 136 S 0.32003974461171 0.71906879849398 0.19168242918812 32.065 > 32 137 S 0.41352952785139 0.14808658307764 0.00667216680397 32.065 > 33 138 S 0.41352952785139 0.64808658307764 0.00667216680397 32.065 > 33 139 S 0.58647047214861 0.14808658307764 0.49332783319603 32.065 > 34 140 S 0.58647047214861 0.64808658307764 0.49332783319603 32.065 > 34 141 S 0.62964996586925 0.47270704581114 0.75138733746828 32.065 > 35 142 S 0.62964996586925 0.97270704581114 0.75138733746828 32.065 > 35 143 S 0.38639638020184 0.14038620813728 0.52145762776376 32.065 > 36 144 S 0.38639638020184 0.64038620813727 0.52145762776376 32.065 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7379292 0.0000000 0.0650748 0.0000000 4.4491559 0.0000000 0.0651381 0.0000000 4.5731716 -------------------------- Born effective charges -------------------------- 1 Na 1.1207129 0.0123489 0.0194132 0.2125387 1.1717905 -0.3046179 0.0473125 -0.2632136 1.1114395 2 Na 0.9748403 0.0000000 -0.4346050 -0.0000000 1.0892155 -0.0000000 -0.2145201 -0.0000000 1.0460979 3 Na 1.2230345 -0.1121685 0.0652160 -0.0077173 1.4641436 0.0043973 -0.1221722 -0.0574090 1.2772549 4 Na 1.2230345 -0.1121685 0.0652160 -0.0077173 1.4641436 0.0043973 -0.1221722 -0.0574090 1.2772549 5 Na 1.1207129 0.0123489 0.0194132 0.2125387 1.1717905 -0.3046179 0.0473125 -0.2632136 1.1114395 6 Na 0.9748403 0.0000000 -0.4346050 -0.0000000 1.0892155 -0.0000000 -0.2145201 -0.0000000 1.0460979 7 Na 1.2230345 0.1121685 0.0652160 0.0077173 1.4641436 -0.0043973 -0.1221722 0.0574090 1.2772549 8 Na 1.2230345 0.1121685 0.0652160 0.0077173 1.4641436 -0.0043973 -0.1221722 0.0574090 1.2772549 9 Na 1.1207129 -0.0123489 0.0194132 -0.2125387 1.1717905 0.3046179 0.0473125 0.2632136 1.1114395 10 Na 1.1207129 -0.0123489 0.0194132 -0.2125387 1.1717905 0.3046179 0.0473125 0.2632136 1.1114395 11 Li 1.0071334 -0.0775194 0.2048510 -0.4913177 1.0982025 0.0853316 0.2027362 0.2517733 0.8440314 12 Li 1.0071334 0.0775194 0.2048510 0.4913177 1.0982025 -0.0853316 0.2027362 -0.2517733 0.8440314 13 Li 1.0071334 0.0775194 0.2048510 0.4913177 1.0982025 -0.0853316 0.2027362 -0.2517733 0.8440314 14 Li 1.4521751 -0.1590084 0.0039946 -0.0513779 0.5831162 -0.0523255 0.1701338 -0.1741718 1.5679485 15 Li 1.4521751 0.1590084 0.0039946 0.0513779 0.5831162 0.0523255 0.1701338 0.1741718 1.5679485 16 Li 1.0071334 -0.0775194 0.2048510 -0.4913177 1.0982025 0.0853316 0.2027362 0.2517733 0.8440314 17 Ti 2.5959651 -0.0318150 0.0442793 -0.1287663 2.2806922 0.0385675 -0.0088066 0.0690393 2.3350238 18 Ti 2.5959651 -0.0318150 0.0442793 -0.1287663 2.2806922 0.0385675 -0.0088066 0.0690393 2.3350238 19 Ti 2.5959651 0.0318150 0.0442793 0.1287663 2.2806922 -0.0385675 -0.0088066 -0.0690393 2.3350238 20 Ti 2.5959651 0.0318150 0.0442793 0.1287663 2.2806922 -0.0385675 -0.0088066 -0.0690393 2.3350238 21 S -1.1967534 0.0744661 -0.0851655 0.0261523 -2.5665445 0.5531254 -0.0409629 0.6687949 -1.6500842 22 S -2.4736045 0.2381063 -0.9203550 0.2685309 -1.0060289 0.1473810 -0.9198239 0.1505686 -1.4658328 23 S -1.1967534 0.0744661 -0.0851655 0.0261523 -2.5665445 0.5531254 -0.0409629 0.6687949 -1.6500842 24 S -1.2045959 -0.1647795 -0.0880681 -0.2820119 -1.9220099 -0.6444615 -0.1029577 -0.7242192 -1.9294202 25 S -2.2853997 0.0881789 0.9751344 0.1696052 -1.3564112 0.0056793 0.9668678 -0.1459835 -1.8294356 26 S -1.1967534 -0.0744661 -0.0851655 -0.0261523 -2.5665445 -0.5531254 -0.0409629 -0.6687949 -1.6500842 27 S -1.2045959 -0.1647795 -0.0880681 -0.2820119 -1.9220099 -0.6444615 -0.1029577 -0.7242192 -1.9294202 28 S -2.4736045 -0.2381063 -0.9203550 -0.2685309 -1.0060289 -0.1473810 -0.9198239 -0.1505686 -1.4658328 29 S -2.2853997 -0.0881789 0.9751344 -0.1696052 -1.3564112 -0.0056793 0.9668678 0.1459835 -1.8294356 30 S -2.2853997 -0.0881789 0.9751344 -0.1696052 -1.3564112 -0.0056793 0.9668678 0.1459835 -1.8294356 31 S -1.2045959 0.1647795 -0.0880681 0.2820119 -1.9220099 0.6444615 -0.1029577 0.7242192 -1.9294202 32 S -1.2045959 0.1647795 -0.0880681 0.2820119 -1.9220099 0.6444615 -0.1029577 0.7242192 -1.9294202 33 S -2.4736045 0.2381063 -0.9203550 0.2685309 -1.0060289 0.1473810 -0.9198239 0.1505686 -1.4658328 34 S -2.4736045 -0.2381063 -0.9203550 -0.2685309 -1.0060289 -0.1473810 -0.9198239 -0.1505686 -1.4658328 35 S -1.1967534 -0.0744661 -0.0851655 -0.0261523 -2.5665445 -0.5531254 -0.0409629 -0.6687949 -1.6500842 36 S -2.2853997 0.0881789 0.9751344 0.1696052 -1.3564112 0.0056793 0.9668678 -0.1459835 -1.8294356 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 27108/27108 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6005 Number of blocks in projector: 6005 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: 1302 Use submatrix version of eigh solver. (1) Block: 500 / 1302 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1000 / 1302 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1302 / 1302 (1) 291 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1294 Use submatrix version of eigh solver. (1) Block: 500 / 1294 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1294 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1294 / 1294 (1) 276 eigenvectors found. (1) Complementary block size: 54 (1) Compute compressed projector. (1) Use standard solver. (1) 36 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1294 Use submatrix version of eigh solver. (1) Block: 500 / 1294 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1294 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1294 / 1294 (1) 276 eigenvectors found. (1) Complementary block size: 54 (1) Compute compressed projector. (1) Use standard solver. (1) 36 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 705 Use submatrix version of eigh solver. (1) Block: 500 / 705 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 705 / 705 (1) 195 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 705 Use submatrix version of eigh solver. (1) Block: 500 / 705 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 705 / 705 (1) 195 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 705 Use submatrix version of eigh solver. (1) Block: 500 / 705 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 705 / 705 (1) 195 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. Tree of FC basis block matrices: - (6005, 5920), data: False |-- (705, 695), data: False |-- (705, 10), data: (705, 20) @ (20, 10) |-- (205, 195), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (705, 695), data: False |-- (705, 10), data: (705, 20) @ (20, 10) |-- (205, 195), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (705, 695), data: False |-- (705, 10), data: (705, 20) @ (20, 10) |-- (205, 195), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (1294, 1276), data: False |-- (1294, 36), data: (1294, 54) @ (54, 36) |-- (294, 276), data: True |-- (500, 482), data: False |-- (500, 12), data: (500, 30) @ (30, 12) |-- (250, 232), data: True |-- (250, 238), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (1294, 1276), data: False |-- (1294, 36), data: (1294, 54) @ (54, 36) |-- (294, 276), data: True |-- (500, 482), data: False |-- (500, 12), data: (500, 30) @ (30, 12) |-- (250, 232), data: True |-- (250, 238), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (1302, 1283), data: False |-- (1302, 26), data: (1302, 45) @ (45, 26) |-- (302, 291), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (500, 481), data: False |-- (500, 19), data: (500, 38) @ (38, 19) |-- (250, 231), data: True |-- (250, 231), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 2.118 Solver_block: 200 / 1120 - Time: 1.958 Solver_block: 300 / 1120 - Time: 1.973 Solver_block: 400 / 1120 - Time: 1.962 Solver_block: 500 / 1120 - Time: 1.971 Solver_block: 600 / 1120 - Time: 1.967 Solver_block: 700 / 1120 - Time: 1.978 Solver_block: 800 / 1120 - Time: 1.971 Solver_block: 900 / 1120 - Time: 1.963 Solver_block: 1000 / 1120 - Time: 1.974 Solver_block: 1100 / 1120 - Time: 1.966 Solver_block: 1120 / 1120 - Time: 0.554 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 22.940 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 27108/27108 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6005 Number of blocks in projector: 6005 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: 1302 Use submatrix version of eigh solver. (1) Block: 500 / 1302 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1000 / 1302 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1302 / 1302 (1) 291 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1294 Use submatrix version of eigh solver. (1) Block: 500 / 1294 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1294 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1294 / 1294 (1) 276 eigenvectors found. (1) Complementary block size: 54 (1) Compute compressed projector. (1) Use standard solver. (1) 36 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1294 Use submatrix version of eigh solver. (1) Block: 500 / 1294 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1294 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1294 / 1294 (1) 276 eigenvectors found. (1) Complementary block size: 54 (1) Compute compressed projector. (1) Use standard solver. (1) 36 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 705 Use submatrix version of eigh solver. (1) Block: 500 / 705 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 705 / 705 (1) 195 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 705 Use submatrix version of eigh solver. (1) Block: 500 / 705 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 705 / 705 (1) 195 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 705 Use submatrix version of eigh solver. (1) Block: 500 / 705 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 705 / 705 (1) 195 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. Tree of FC basis block matrices: - (6005, 5920), data: False |-- (705, 695), data: False |-- (705, 10), data: (705, 20) @ (20, 10) |-- (205, 195), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (705, 695), data: False |-- (705, 10), data: (705, 20) @ (20, 10) |-- (205, 195), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (705, 695), data: False |-- (705, 10), data: (705, 20) @ (20, 10) |-- (205, 195), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (1294, 1276), data: False |-- (1294, 36), data: (1294, 54) @ (54, 36) |-- (294, 276), data: True |-- (500, 482), data: False |-- (500, 12), data: (500, 30) @ (30, 12) |-- (250, 232), data: True |-- (250, 238), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (1294, 1276), data: False |-- (1294, 36), data: (1294, 54) @ (54, 36) |-- (294, 276), data: True |-- (500, 482), data: False |-- (500, 12), data: (500, 30) @ (30, 12) |-- (250, 232), data: True |-- (250, 238), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (1302, 1283), data: False |-- (1302, 26), data: (1302, 45) @ (45, 26) |-- (302, 291), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (500, 481), data: False |-- (500, 19), data: (500, 38) @ (38, 19) |-- (250, 231), data: True |-- (250, 231), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 11:07:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:07:02]------------------------- 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): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.712666925675643 -4.807414135000000 0.000000000000000 b 8.712666925675643 4.807414135000000 0.000000000000000 c -8.199570939762731 0.000000000000000 8.720365285729233 Atomic positions (fractional): 1 Na 0.58598420573139 0.61136151722188 0.46497854706888 22.990 2 Na 0.99320695751224 0.00679304248776 0.75000000000000 22.990 3 Na 0.60478998951859 0.09778431856884 0.22255652397253 22.990 4 Na 0.39521001048141 0.90221568143116 0.77744347602747 22.990 5 Na 0.41401579426861 0.38863848277812 0.53502145293112 22.990 6 Na 0.00679304248776 0.99320695751224 0.25000000000000 22.990 7 Na 0.09778431856884 0.60478998951859 0.72255652397253 22.990 8 Na 0.90221568143116 0.39521001048141 0.27744347602747 22.990 9 Na 0.61136151722188 0.58598420573139 0.96497854706888 22.990 10 Na 0.38863848277812 0.41401579426861 0.03502145293112 22.990 11 Li 0.19272969270269 0.19093209461305 0.62443494879661 6.941 12 Li 0.80906790538695 0.80727030729731 0.87556505120339 6.941 13 Li 0.19093209461305 0.19272969270269 0.12443494879661 6.941 14 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 15 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 16 Li 0.80727030729731 0.80906790538695 0.37556505120339 6.941 17 Ti 0.15063822174551 0.68154973085458 0.36427096034274 47.867 18 Ti 0.84936177825449 0.31845026914542 0.63572903965726 47.867 19 Ti 0.68154973085459 0.15063822174551 0.86427096034274 47.867 20 Ti 0.31845026914542 0.84936177825449 0.13572903965726 47.867 21 S 0.57506405749153 0.68423587424696 0.25138733746828 32.065 22 S 0.88264363830388 0.29029730599334 0.99332783319603 32.065 23 S 0.42493594250847 0.31576412575304 0.74861266253172 32.065 24 S 0.24182265840033 0.11809785237625 0.30831757081188 32.065 25 S 0.89437603607271 0.33283120352361 0.47854237223624 32.065 26 S 0.31576412575304 0.42493594250847 0.24861266253172 32.065 27 S 0.75817734159967 0.88190214762375 0.69168242918812 32.065 28 S 0.70970269400666 0.11735636169612 0.50667216680397 32.065 29 S 0.66716879647639 0.10562396392729 0.02145762776376 32.065 30 S 0.33283120352361 0.89437603607271 0.97854237223624 32.065 31 S 0.11809785237625 0.24182265840033 0.80831757081188 32.065 32 S 0.88190214762375 0.75817734159967 0.19168242918812 32.065 33 S 0.11735636169612 0.70970269400666 0.00667216680397 32.065 34 S 0.29029730599334 0.88264363830388 0.49332783319603 32.065 35 S 0.68423587424696 0.57506405749153 0.75138733746828 32.065 36 S 0.10562396392729 0.66716879647639 0.52145762776376 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.425333851351287 0.000000000000000 0.000000000000000 b 0.000000000000000 19.229656540000001 0.000000000000000 c -8.199570939762731 0.000000000000000 8.720365285729233 Atomic positions (fractional): 1 Na 0.09867286147663 0.25634432787262 0.46497854706888 22.990 > 1 2 Na 0.09867286147663 0.75634432787262 0.46497854706888 22.990 > 1 3 Na 0.00000000000000 0.00339652124388 0.75000000000000 22.990 > 3 4 Na 0.00000000000000 0.50339652124388 0.75000000000000 22.990 > 3 5 Na 0.85128715404372 0.12324858226256 0.22255652397253 22.990 > 5 6 Na 0.85128715404372 0.62324858226256 0.22255652397253 22.990 > 5 7 Na 0.14871284595628 0.37675141773744 0.77744347602747 22.990 > 7 8 Na 0.14871284595628 0.87675141773744 0.77744347602747 22.990 > 7 9 Na 0.90132713852337 0.24365567212738 0.53502145293112 22.990 > 9 10 Na 0.90132713852337 0.74365567212738 0.53502145293112 22.990 > 9 11 Na 0.00000000000000 0.49660347875612 0.25000000000000 22.990 > 11 12 Na 0.00000000000000 0.99660347875612 0.25000000000000 22.990 > 11 13 Na 0.35128715404372 0.12675141773744 0.72255652397253 22.990 > 13 14 Na 0.35128715404372 0.62675141773744 0.72255652397253 22.990 > 13 15 Na 0.64871284595628 0.37324858226256 0.27744347602747 22.990 > 15 16 Na 0.64871284595628 0.87324858226256 0.27744347602747 22.990 > 15 17 Na 0.09867286147663 0.24365567212738 0.96497854706888 22.990 > 17 18 Na 0.09867286147663 0.74365567212738 0.96497854706888 22.990 > 17 19 Na 0.90132713852337 0.25634432787262 0.03502145293112 22.990 > 19 20 Na 0.90132713852337 0.75634432787262 0.03502145293112 22.990 > 19 21 Na 0.59867286147663 0.00634432787262 0.46497854706888 22.990 > 1 22 Na 0.59867286147663 0.50634432787262 0.46497854706888 22.990 > 1 23 Na 0.50000000000000 0.25339652124388 0.75000000000000 22.990 > 3 24 Na 0.50000000000000 0.75339652124388 0.75000000000000 22.990 > 3 25 Na 0.35128715404372 0.37324858226256 0.22255652397253 22.990 > 5 26 Na 0.35128715404372 0.87324858226256 0.22255652397253 22.990 > 5 27 Na 0.64871284595628 0.12675141773744 0.77744347602747 22.990 > 7 28 Na 0.64871284595628 0.62675141773744 0.77744347602747 22.990 > 7 29 Na 0.40132713852337 0.49365567212738 0.53502145293112 22.990 > 9 30 Na 0.40132713852337 0.99365567212738 0.53502145293112 22.990 > 9 31 Na 0.50000000000000 0.24660347875612 0.25000000000000 22.990 > 11 32 Na 0.50000000000000 0.74660347875612 0.25000000000000 22.990 > 11 33 Na 0.85128715404372 0.37675141773744 0.72255652397253 22.990 > 13 34 Na 0.85128715404372 0.87675141773744 0.72255652397253 22.990 > 13 35 Na 0.14871284595628 0.12324858226256 0.27744347602747 22.990 > 15 36 Na 0.14871284595628 0.62324858226256 0.27744347602747 22.990 > 15 37 Na 0.59867286147663 0.49365567212738 0.96497854706888 22.990 > 17 38 Na 0.59867286147663 0.99365567212738 0.96497854706888 22.990 > 17 39 Na 0.40132713852337 0.00634432787262 0.03502145293112 22.990 > 19 40 Na 0.40132713852337 0.50634432787262 0.03502145293112 22.990 > 19 41 Li 0.19183089365787 0.49955060047759 0.62443494879661 6.941 > 41 42 Li 0.19183089365787 0.99955060047759 0.62443494879661 6.941 > 41 43 Li 0.30816910634213 0.24955060047759 0.87556505120339 6.941 > 43 44 Li 0.30816910634213 0.74955060047759 0.87556505120339 6.941 > 43 45 Li 0.69183089365787 0.25044939952241 0.12443494879661 6.941 > 45 46 Li 0.69183089365787 0.75044939952241 0.12443494879661 6.941 > 45 47 Li 0.75000000000000 0.12500000000000 0.50000000000000 6.941 > 47 48 Li 0.75000000000000 0.62500000000000 0.50000000000000 6.941 > 47 49 Li 0.25000000000000 0.12500000000000 0.00000000000000 6.941 > 49 50 Li 0.25000000000000 0.62500000000000 0.00000000000000 6.941 > 49 51 Li 0.80816910634213 0.00044939952241 0.37556505120339 6.941 > 51 52 Li 0.80816910634213 0.50044939952241 0.37556505120339 6.941 > 51 53 Li 0.69183089365787 0.24955060047759 0.62443494879661 6.941 > 41 54 Li 0.69183089365787 0.74955060047759 0.62443494879661 6.941 > 41 55 Li 0.80816910634213 0.49955060047759 0.87556505120339 6.941 > 43 56 Li 0.80816910634213 0.99955060047759 0.87556505120339 6.941 > 43 57 Li 0.19183089365787 0.00044939952241 0.12443494879661 6.941 > 45 58 Li 0.19183089365787 0.50044939952241 0.12443494879661 6.941 > 45 59 Li 0.25000000000000 0.37500000000000 0.50000000000000 6.941 > 47 60 Li 0.25000000000000 0.87500000000000 0.50000000000000 6.941 > 47 61 Li 0.75000000000000 0.37500000000000 0.00000000000000 6.941 > 49 62 Li 0.75000000000000 0.87500000000000 0.00000000000000 6.941 > 49 63 Li 0.30816910634213 0.25044939952241 0.37556505120339 6.941 > 51 64 Li 0.30816910634213 0.75044939952241 0.37556505120339 6.941 > 51 65 Ti 0.91609397630005 0.38272787727727 0.36427096034274 47.867 > 65 66 Ti 0.91609397630005 0.88272787727727 0.36427096034274 47.867 > 65 67 Ti 0.08390602369995 0.11727212272273 0.63572903965726 47.867 > 67 68 Ti 0.08390602369995 0.61727212272273 0.63572903965726 47.867 > 67 69 Ti 0.41609397630005 0.36727212272273 0.86427096034274 47.867 > 69 70 Ti 0.41609397630005 0.86727212272273 0.86427096034274 47.867 > 69 71 Ti 0.58390602369995 0.13272787727727 0.13572903965726 47.867 > 71 72 Ti 0.58390602369995 0.63272787727727 0.13572903965726 47.867 > 71 73 Ti 0.41609397630005 0.13272787727727 0.36427096034274 47.867 > 65 74 Ti 0.41609397630005 0.63272787727727 0.36427096034274 47.867 > 65 75 Ti 0.58390602369995 0.36727212272273 0.63572903965726 47.867 > 67 76 Ti 0.58390602369995 0.86727212272273 0.63572903965726 47.867 > 67 77 Ti 0.91609397630005 0.11727212272273 0.86427096034274 47.867 > 69 78 Ti 0.91609397630005 0.61727212272273 0.86427096034274 47.867 > 69 79 Ti 0.08390602369995 0.38272787727727 0.13572903965726 47.867 > 71 80 Ti 0.08390602369995 0.88272787727727 0.13572903965726 47.867 > 71 81 S 0.62964996586925 0.02729295418886 0.25138733746828 32.065 > 81 82 S 0.62964996586925 0.52729295418886 0.25138733746828 32.065 > 81 83 S 0.08647047214861 0.10191341692236 0.99332783319603 32.065 > 83 84 S 0.08647047214861 0.60191341692236 0.99332783319603 32.065 > 83 85 S 0.37035003413075 0.47270704581114 0.74861266253172 32.065 > 85 86 S 0.37035003413075 0.97270704581114 0.74861266253172 32.065 > 85 87 S 0.67996025538829 0.21906879849398 0.30831757081188 32.065 > 87 88 S 0.67996025538829 0.71906879849398 0.30831757081188 32.065 > 87 89 S 0.11360361979816 0.10961379186273 0.47854237223624 32.065 > 89 90 S 0.11360361979816 0.60961379186273 0.47854237223624 32.065 > 89 91 S 0.87035003413075 0.27729295418886 0.24861266253172 32.065 > 91 92 S 0.87035003413075 0.77729295418886 0.24861266253172 32.065 > 91 93 S 0.32003974461171 0.28093120150602 0.69168242918812 32.065 > 93 94 S 0.32003974461171 0.78093120150602 0.69168242918812 32.065 > 93 95 S 0.91352952785139 0.10191341692236 0.50667216680397 32.065 > 95 96 S 0.91352952785139 0.60191341692236 0.50667216680397 32.065 > 95 97 S 0.88639638020184 0.10961379186273 0.02145762776376 32.065 > 97 98 S 0.88639638020184 0.60961379186273 0.02145762776376 32.065 > 97 99 S 0.11360361979816 0.39038620813727 0.97854237223624 32.065 > 99 100 S 0.11360361979816 0.89038620813727 0.97854237223624 32.065 > 99 101 S 0.17996025538829 0.03093120150602 0.80831757081188 32.065 > 101 102 S 0.17996025538829 0.53093120150602 0.80831757081188 32.065 > 101 103 S 0.82003974461171 0.46906879849398 0.19168242918812 32.065 > 103 104 S 0.82003974461171 0.96906879849398 0.19168242918812 32.065 > 103 105 S 0.91352952785139 0.39808658307764 0.00667216680397 32.065 > 105 106 S 0.91352952785139 0.89808658307764 0.00667216680397 32.065 > 105 107 S 0.08647047214861 0.39808658307764 0.49332783319603 32.065 > 107 108 S 0.08647047214861 0.89808658307764 0.49332783319603 32.065 > 107 109 S 0.12964996586925 0.22270704581114 0.75138733746828 32.065 > 109 110 S 0.12964996586925 0.72270704581114 0.75138733746828 32.065 > 109 111 S 0.88639638020184 0.39038620813727 0.52145762776376 32.065 > 111 112 S 0.88639638020184 0.89038620813727 0.52145762776376 32.065 > 111 113 S 0.12964996586925 0.27729295418886 0.25138733746828 32.065 > 81 114 S 0.12964996586925 0.77729295418886 0.25138733746828 32.065 > 81 115 S 0.58647047214861 0.35191341692236 0.99332783319603 32.065 > 83 116 S 0.58647047214861 0.85191341692236 0.99332783319603 32.065 > 83 117 S 0.87035003413075 0.22270704581114 0.74861266253172 32.065 > 85 118 S 0.87035003413075 0.72270704581114 0.74861266253172 32.065 > 85 119 S 0.17996025538829 0.46906879849398 0.30831757081188 32.065 > 87 120 S 0.17996025538829 0.96906879849398 0.30831757081188 32.065 > 87 121 S 0.61360361979816 0.35961379186273 0.47854237223624 32.065 > 89 122 S 0.61360361979816 0.85961379186273 0.47854237223624 32.065 > 89 123 S 0.37035003413075 0.02729295418886 0.24861266253172 32.065 > 91 124 S 0.37035003413075 0.52729295418886 0.24861266253172 32.065 > 91 125 S 0.82003974461171 0.03093120150602 0.69168242918812 32.065 > 93 126 S 0.82003974461171 0.53093120150602 0.69168242918812 32.065 > 93 127 S 0.41352952785139 0.35191341692236 0.50667216680397 32.065 > 95 128 S 0.41352952785139 0.85191341692236 0.50667216680397 32.065 > 95 129 S 0.38639638020184 0.35961379186273 0.02145762776376 32.065 > 97 130 S 0.38639638020184 0.85961379186273 0.02145762776376 32.065 > 97 131 S 0.61360361979816 0.14038620813728 0.97854237223624 32.065 > 99 132 S 0.61360361979816 0.64038620813727 0.97854237223624 32.065 > 99 133 S 0.67996025538829 0.28093120150602 0.80831757081188 32.065 > 101 134 S 0.67996025538829 0.78093120150602 0.80831757081188 32.065 > 101 135 S 0.32003974461171 0.21906879849398 0.19168242918812 32.065 > 103 136 S 0.32003974461171 0.71906879849398 0.19168242918812 32.065 > 103 137 S 0.41352952785139 0.14808658307764 0.00667216680397 32.065 > 105 138 S 0.41352952785139 0.64808658307764 0.00667216680397 32.065 > 105 139 S 0.58647047214861 0.14808658307764 0.49332783319603 32.065 > 107 140 S 0.58647047214861 0.64808658307764 0.49332783319603 32.065 > 107 141 S 0.62964996586925 0.47270704581114 0.75138733746828 32.065 > 109 142 S 0.62964996586925 0.97270704581114 0.75138733746828 32.065 > 109 143 S 0.38639638020184 0.14038620813728 0.52145762776376 32.065 > 111 144 S 0.38639638020184 0.64038620813727 0.52145762776376 32.065 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7379292 0.0000000 0.0650748 0.0000000 4.4491559 0.0000000 0.0651381 0.0000000 4.5731716 -------------------------- Born effective charges -------------------------- 1 Na 1.1207129 0.0123489 0.0194132 0.2125387 1.1717905 -0.3046179 0.0473125 -0.2632136 1.1114395 2 Na 0.9748403 0.0000000 -0.4346050 -0.0000000 1.0892155 -0.0000000 -0.2145201 -0.0000000 1.0460979 3 Na 1.2230345 -0.1121685 0.0652160 -0.0077173 1.4641436 0.0043973 -0.1221722 -0.0574090 1.2772549 4 Na 1.2230345 -0.1121685 0.0652160 -0.0077173 1.4641436 0.0043973 -0.1221722 -0.0574090 1.2772549 5 Na 1.1207129 0.0123489 0.0194132 0.2125387 1.1717905 -0.3046179 0.0473125 -0.2632136 1.1114395 6 Na 0.9748403 0.0000000 -0.4346050 -0.0000000 1.0892155 -0.0000000 -0.2145201 -0.0000000 1.0460979 7 Na 1.2230345 0.1121685 0.0652160 0.0077173 1.4641436 -0.0043973 -0.1221722 0.0574090 1.2772549 8 Na 1.2230345 0.1121685 0.0652160 0.0077173 1.4641436 -0.0043973 -0.1221722 0.0574090 1.2772549 9 Na 1.1207129 -0.0123489 0.0194132 -0.2125387 1.1717905 0.3046179 0.0473125 0.2632136 1.1114395 10 Na 1.1207129 -0.0123489 0.0194132 -0.2125387 1.1717905 0.3046179 0.0473125 0.2632136 1.1114395 11 Li 1.0071334 -0.0775194 0.2048510 -0.4913177 1.0982025 0.0853316 0.2027362 0.2517733 0.8440314 12 Li 1.0071334 0.0775194 0.2048510 0.4913177 1.0982025 -0.0853316 0.2027362 -0.2517733 0.8440314 13 Li 1.0071334 0.0775194 0.2048510 0.4913177 1.0982025 -0.0853316 0.2027362 -0.2517733 0.8440314 14 Li 1.4521751 -0.1590084 0.0039946 -0.0513779 0.5831162 -0.0523255 0.1701338 -0.1741718 1.5679485 15 Li 1.4521751 0.1590084 0.0039946 0.0513779 0.5831162 0.0523255 0.1701338 0.1741718 1.5679485 16 Li 1.0071334 -0.0775194 0.2048510 -0.4913177 1.0982025 0.0853316 0.2027362 0.2517733 0.8440314 17 Ti 2.5959651 -0.0318150 0.0442793 -0.1287663 2.2806922 0.0385675 -0.0088066 0.0690393 2.3350238 18 Ti 2.5959651 -0.0318150 0.0442793 -0.1287663 2.2806922 0.0385675 -0.0088066 0.0690393 2.3350238 19 Ti 2.5959651 0.0318150 0.0442793 0.1287663 2.2806922 -0.0385675 -0.0088066 -0.0690393 2.3350238 20 Ti 2.5959651 0.0318150 0.0442793 0.1287663 2.2806922 -0.0385675 -0.0088066 -0.0690393 2.3350238 21 S -1.1967534 0.0744661 -0.0851655 0.0261523 -2.5665445 0.5531254 -0.0409629 0.6687949 -1.6500842 22 S -2.4736045 0.2381063 -0.9203550 0.2685309 -1.0060289 0.1473810 -0.9198239 0.1505686 -1.4658328 23 S -1.1967534 0.0744661 -0.0851655 0.0261523 -2.5665445 0.5531254 -0.0409629 0.6687949 -1.6500842 24 S -1.2045959 -0.1647795 -0.0880681 -0.2820119 -1.9220099 -0.6444615 -0.1029577 -0.7242192 -1.9294202 25 S -2.2853997 0.0881789 0.9751344 0.1696052 -1.3564112 0.0056793 0.9668678 -0.1459835 -1.8294356 26 S -1.1967534 -0.0744661 -0.0851655 -0.0261523 -2.5665445 -0.5531254 -0.0409629 -0.6687949 -1.6500842 27 S -1.2045959 -0.1647795 -0.0880681 -0.2820119 -1.9220099 -0.6444615 -0.1029577 -0.7242192 -1.9294202 28 S -2.4736045 -0.2381063 -0.9203550 -0.2685309 -1.0060289 -0.1473810 -0.9198239 -0.1505686 -1.4658328 29 S -2.2853997 -0.0881789 0.9751344 -0.1696052 -1.3564112 -0.0056793 0.9668678 0.1459835 -1.8294356 30 S -2.2853997 -0.0881789 0.9751344 -0.1696052 -1.3564112 -0.0056793 0.9668678 0.1459835 -1.8294356 31 S -1.2045959 0.1647795 -0.0880681 0.2820119 -1.9220099 0.6444615 -0.1029577 0.7242192 -1.9294202 32 S -1.2045959 0.1647795 -0.0880681 0.2820119 -1.9220099 0.6444615 -0.1029577 0.7242192 -1.9294202 33 S -2.4736045 0.2381063 -0.9203550 0.2685309 -1.0060289 0.1473810 -0.9198239 0.1505686 -1.4658328 34 S -2.4736045 -0.2381063 -0.9203550 -0.2685309 -1.0060289 -0.1473810 -0.9198239 -0.1505686 -1.4658328 35 S -1.1967534 -0.0744661 -0.0851655 -0.0261523 -2.5665445 -0.5531254 -0.0409629 -0.6687949 -1.6500842 36 S -2.2853997 0.0881789 0.9751344 0.1696052 -1.3564112 0.0056793 0.9668678 -0.1459835 -1.8294356 ---------------------------------------------------------------------------- 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] [-0.0069 0.0000 0.0073] [ 0.0069 0.0000 -0.0073] Computing fc3[ 3, 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] [-0.0069 0.0000 0.0073] [ 0.0069 0.0000 -0.0073] Computing fc3[ 5, 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] [-0.0069 0.0000 0.0073] [ 0.0069 0.0000 -0.0073] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0069 0.0000 0.0073] [ 0.0069 0.0000 -0.0073] Computing fc3[ 47, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0069 0.0000 0.0073] [ 0.0069 0.0000 -0.0073] 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] [-0.0069 0.0000 0.0073] [ 0.0069 0.0000 -0.0073] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0069 0.0000 0.0073] [ 0.0069 0.0000 -0.0073] Computing fc3[ 83, 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] [-0.0069 0.0000 0.0073] [ 0.0069 0.0000 -0.0073] Computing fc3[ 87, 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] [-0.0069 0.0000 0.0073] [ 0.0069 0.0000 -0.0073] Computing fc3[ 89, 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] [-0.0069 0.0000 0.0073] [ 0.0069 0.0000 -0.0073] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xzx) -0.00000000 (xzx) -0.00000000 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) 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 11:07:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:07:56]------------------------- 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): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.712666925675643 -4.807414135000000 0.000000000000000 b 8.712666925675643 4.807414135000000 0.000000000000000 c -8.199570939762731 0.000000000000000 8.720365285729233 Atomic positions (fractional): 1 Na 0.58598420573139 0.61136151722188 0.46497854706888 22.990 2 Na 0.99320695751224 0.00679304248776 0.75000000000000 22.990 3 Na 0.60478998951859 0.09778431856884 0.22255652397253 22.990 4 Na 0.39521001048141 0.90221568143116 0.77744347602747 22.990 5 Na 0.41401579426861 0.38863848277812 0.53502145293112 22.990 6 Na 0.00679304248776 0.99320695751224 0.25000000000000 22.990 7 Na 0.09778431856884 0.60478998951859 0.72255652397253 22.990 8 Na 0.90221568143116 0.39521001048141 0.27744347602747 22.990 9 Na 0.61136151722188 0.58598420573139 0.96497854706888 22.990 10 Na 0.38863848277812 0.41401579426861 0.03502145293112 22.990 11 Li 0.19272969270269 0.19093209461305 0.62443494879661 6.941 12 Li 0.80906790538695 0.80727030729731 0.87556505120339 6.941 13 Li 0.19093209461305 0.19272969270269 0.12443494879661 6.941 14 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 15 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 16 Li 0.80727030729731 0.80906790538695 0.37556505120339 6.941 17 Ti 0.15063822174551 0.68154973085458 0.36427096034274 47.867 18 Ti 0.84936177825449 0.31845026914542 0.63572903965726 47.867 19 Ti 0.68154973085459 0.15063822174551 0.86427096034274 47.867 20 Ti 0.31845026914542 0.84936177825449 0.13572903965726 47.867 21 S 0.57506405749153 0.68423587424696 0.25138733746828 32.065 22 S 0.88264363830388 0.29029730599334 0.99332783319603 32.065 23 S 0.42493594250847 0.31576412575304 0.74861266253172 32.065 24 S 0.24182265840033 0.11809785237625 0.30831757081188 32.065 25 S 0.89437603607271 0.33283120352361 0.47854237223624 32.065 26 S 0.31576412575304 0.42493594250847 0.24861266253172 32.065 27 S 0.75817734159967 0.88190214762375 0.69168242918812 32.065 28 S 0.70970269400666 0.11735636169612 0.50667216680397 32.065 29 S 0.66716879647639 0.10562396392729 0.02145762776376 32.065 30 S 0.33283120352361 0.89437603607271 0.97854237223624 32.065 31 S 0.11809785237625 0.24182265840033 0.80831757081188 32.065 32 S 0.88190214762375 0.75817734159967 0.19168242918812 32.065 33 S 0.11735636169612 0.70970269400666 0.00667216680397 32.065 34 S 0.29029730599334 0.88264363830388 0.49332783319603 32.065 35 S 0.68423587424696 0.57506405749153 0.75138733746828 32.065 36 S 0.10562396392729 0.66716879647639 0.52145762776376 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.425333851351287 0.000000000000000 0.000000000000000 b 0.000000000000000 19.229656540000001 0.000000000000000 c -8.199570939762731 0.000000000000000 8.720365285729233 Atomic positions (fractional): 1 Na 0.09867286147663 0.25634432787262 0.46497854706888 22.990 > 1 2 Na 0.09867286147663 0.75634432787262 0.46497854706888 22.990 > 1 3 Na 0.00000000000000 0.00339652124388 0.75000000000000 22.990 > 3 4 Na 0.00000000000000 0.50339652124388 0.75000000000000 22.990 > 3 5 Na 0.85128715404372 0.12324858226256 0.22255652397253 22.990 > 5 6 Na 0.85128715404372 0.62324858226256 0.22255652397253 22.990 > 5 7 Na 0.14871284595628 0.37675141773744 0.77744347602747 22.990 > 7 8 Na 0.14871284595628 0.87675141773744 0.77744347602747 22.990 > 7 9 Na 0.90132713852337 0.24365567212738 0.53502145293112 22.990 > 9 10 Na 0.90132713852337 0.74365567212738 0.53502145293112 22.990 > 9 11 Na 0.00000000000000 0.49660347875612 0.25000000000000 22.990 > 11 12 Na 0.00000000000000 0.99660347875612 0.25000000000000 22.990 > 11 13 Na 0.35128715404372 0.12675141773744 0.72255652397253 22.990 > 13 14 Na 0.35128715404372 0.62675141773744 0.72255652397253 22.990 > 13 15 Na 0.64871284595628 0.37324858226256 0.27744347602747 22.990 > 15 16 Na 0.64871284595628 0.87324858226256 0.27744347602747 22.990 > 15 17 Na 0.09867286147663 0.24365567212738 0.96497854706888 22.990 > 17 18 Na 0.09867286147663 0.74365567212738 0.96497854706888 22.990 > 17 19 Na 0.90132713852337 0.25634432787262 0.03502145293112 22.990 > 19 20 Na 0.90132713852337 0.75634432787262 0.03502145293112 22.990 > 19 21 Na 0.59867286147663 0.00634432787262 0.46497854706888 22.990 > 1 22 Na 0.59867286147663 0.50634432787262 0.46497854706888 22.990 > 1 23 Na 0.50000000000000 0.25339652124388 0.75000000000000 22.990 > 3 24 Na 0.50000000000000 0.75339652124388 0.75000000000000 22.990 > 3 25 Na 0.35128715404372 0.37324858226256 0.22255652397253 22.990 > 5 26 Na 0.35128715404372 0.87324858226256 0.22255652397253 22.990 > 5 27 Na 0.64871284595628 0.12675141773744 0.77744347602747 22.990 > 7 28 Na 0.64871284595628 0.62675141773744 0.77744347602747 22.990 > 7 29 Na 0.40132713852337 0.49365567212738 0.53502145293112 22.990 > 9 30 Na 0.40132713852337 0.99365567212738 0.53502145293112 22.990 > 9 31 Na 0.50000000000000 0.24660347875612 0.25000000000000 22.990 > 11 32 Na 0.50000000000000 0.74660347875612 0.25000000000000 22.990 > 11 33 Na 0.85128715404372 0.37675141773744 0.72255652397253 22.990 > 13 34 Na 0.85128715404372 0.87675141773744 0.72255652397253 22.990 > 13 35 Na 0.14871284595628 0.12324858226256 0.27744347602747 22.990 > 15 36 Na 0.14871284595628 0.62324858226256 0.27744347602747 22.990 > 15 37 Na 0.59867286147663 0.49365567212738 0.96497854706888 22.990 > 17 38 Na 0.59867286147663 0.99365567212738 0.96497854706888 22.990 > 17 39 Na 0.40132713852337 0.00634432787262 0.03502145293112 22.990 > 19 40 Na 0.40132713852337 0.50634432787262 0.03502145293112 22.990 > 19 41 Li 0.19183089365787 0.49955060047759 0.62443494879661 6.941 > 41 42 Li 0.19183089365787 0.99955060047759 0.62443494879661 6.941 > 41 43 Li 0.30816910634213 0.24955060047759 0.87556505120339 6.941 > 43 44 Li 0.30816910634213 0.74955060047759 0.87556505120339 6.941 > 43 45 Li 0.69183089365787 0.25044939952241 0.12443494879661 6.941 > 45 46 Li 0.69183089365787 0.75044939952241 0.12443494879661 6.941 > 45 47 Li 0.75000000000000 0.12500000000000 0.50000000000000 6.941 > 47 48 Li 0.75000000000000 0.62500000000000 0.50000000000000 6.941 > 47 49 Li 0.25000000000000 0.12500000000000 0.00000000000000 6.941 > 49 50 Li 0.25000000000000 0.62500000000000 0.00000000000000 6.941 > 49 51 Li 0.80816910634213 0.00044939952241 0.37556505120339 6.941 > 51 52 Li 0.80816910634213 0.50044939952241 0.37556505120339 6.941 > 51 53 Li 0.69183089365787 0.24955060047759 0.62443494879661 6.941 > 41 54 Li 0.69183089365787 0.74955060047759 0.62443494879661 6.941 > 41 55 Li 0.80816910634213 0.49955060047759 0.87556505120339 6.941 > 43 56 Li 0.80816910634213 0.99955060047759 0.87556505120339 6.941 > 43 57 Li 0.19183089365787 0.00044939952241 0.12443494879661 6.941 > 45 58 Li 0.19183089365787 0.50044939952241 0.12443494879661 6.941 > 45 59 Li 0.25000000000000 0.37500000000000 0.50000000000000 6.941 > 47 60 Li 0.25000000000000 0.87500000000000 0.50000000000000 6.941 > 47 61 Li 0.75000000000000 0.37500000000000 0.00000000000000 6.941 > 49 62 Li 0.75000000000000 0.87500000000000 0.00000000000000 6.941 > 49 63 Li 0.30816910634213 0.25044939952241 0.37556505120339 6.941 > 51 64 Li 0.30816910634213 0.75044939952241 0.37556505120339 6.941 > 51 65 Ti 0.91609397630005 0.38272787727727 0.36427096034274 47.867 > 65 66 Ti 0.91609397630005 0.88272787727727 0.36427096034274 47.867 > 65 67 Ti 0.08390602369995 0.11727212272273 0.63572903965726 47.867 > 67 68 Ti 0.08390602369995 0.61727212272273 0.63572903965726 47.867 > 67 69 Ti 0.41609397630005 0.36727212272273 0.86427096034274 47.867 > 69 70 Ti 0.41609397630005 0.86727212272273 0.86427096034274 47.867 > 69 71 Ti 0.58390602369995 0.13272787727727 0.13572903965726 47.867 > 71 72 Ti 0.58390602369995 0.63272787727727 0.13572903965726 47.867 > 71 73 Ti 0.41609397630005 0.13272787727727 0.36427096034274 47.867 > 65 74 Ti 0.41609397630005 0.63272787727727 0.36427096034274 47.867 > 65 75 Ti 0.58390602369995 0.36727212272273 0.63572903965726 47.867 > 67 76 Ti 0.58390602369995 0.86727212272273 0.63572903965726 47.867 > 67 77 Ti 0.91609397630005 0.11727212272273 0.86427096034274 47.867 > 69 78 Ti 0.91609397630005 0.61727212272273 0.86427096034274 47.867 > 69 79 Ti 0.08390602369995 0.38272787727727 0.13572903965726 47.867 > 71 80 Ti 0.08390602369995 0.88272787727727 0.13572903965726 47.867 > 71 81 S 0.62964996586925 0.02729295418886 0.25138733746828 32.065 > 81 82 S 0.62964996586925 0.52729295418886 0.25138733746828 32.065 > 81 83 S 0.08647047214861 0.10191341692236 0.99332783319603 32.065 > 83 84 S 0.08647047214861 0.60191341692236 0.99332783319603 32.065 > 83 85 S 0.37035003413075 0.47270704581114 0.74861266253172 32.065 > 85 86 S 0.37035003413075 0.97270704581114 0.74861266253172 32.065 > 85 87 S 0.67996025538829 0.21906879849398 0.30831757081188 32.065 > 87 88 S 0.67996025538829 0.71906879849398 0.30831757081188 32.065 > 87 89 S 0.11360361979816 0.10961379186273 0.47854237223624 32.065 > 89 90 S 0.11360361979816 0.60961379186273 0.47854237223624 32.065 > 89 91 S 0.87035003413075 0.27729295418886 0.24861266253172 32.065 > 91 92 S 0.87035003413075 0.77729295418886 0.24861266253172 32.065 > 91 93 S 0.32003974461171 0.28093120150602 0.69168242918812 32.065 > 93 94 S 0.32003974461171 0.78093120150602 0.69168242918812 32.065 > 93 95 S 0.91352952785139 0.10191341692236 0.50667216680397 32.065 > 95 96 S 0.91352952785139 0.60191341692236 0.50667216680397 32.065 > 95 97 S 0.88639638020184 0.10961379186273 0.02145762776376 32.065 > 97 98 S 0.88639638020184 0.60961379186273 0.02145762776376 32.065 > 97 99 S 0.11360361979816 0.39038620813727 0.97854237223624 32.065 > 99 100 S 0.11360361979816 0.89038620813727 0.97854237223624 32.065 > 99 101 S 0.17996025538829 0.03093120150602 0.80831757081188 32.065 > 101 102 S 0.17996025538829 0.53093120150602 0.80831757081188 32.065 > 101 103 S 0.82003974461171 0.46906879849398 0.19168242918812 32.065 > 103 104 S 0.82003974461171 0.96906879849398 0.19168242918812 32.065 > 103 105 S 0.91352952785139 0.39808658307764 0.00667216680397 32.065 > 105 106 S 0.91352952785139 0.89808658307764 0.00667216680397 32.065 > 105 107 S 0.08647047214861 0.39808658307764 0.49332783319603 32.065 > 107 108 S 0.08647047214861 0.89808658307764 0.49332783319603 32.065 > 107 109 S 0.12964996586925 0.22270704581114 0.75138733746828 32.065 > 109 110 S 0.12964996586925 0.72270704581114 0.75138733746828 32.065 > 109 111 S 0.88639638020184 0.39038620813727 0.52145762776376 32.065 > 111 112 S 0.88639638020184 0.89038620813727 0.52145762776376 32.065 > 111 113 S 0.12964996586925 0.27729295418886 0.25138733746828 32.065 > 81 114 S 0.12964996586925 0.77729295418886 0.25138733746828 32.065 > 81 115 S 0.58647047214861 0.35191341692236 0.99332783319603 32.065 > 83 116 S 0.58647047214861 0.85191341692236 0.99332783319603 32.065 > 83 117 S 0.87035003413075 0.22270704581114 0.74861266253172 32.065 > 85 118 S 0.87035003413075 0.72270704581114 0.74861266253172 32.065 > 85 119 S 0.17996025538829 0.46906879849398 0.30831757081188 32.065 > 87 120 S 0.17996025538829 0.96906879849398 0.30831757081188 32.065 > 87 121 S 0.61360361979816 0.35961379186273 0.47854237223624 32.065 > 89 122 S 0.61360361979816 0.85961379186273 0.47854237223624 32.065 > 89 123 S 0.37035003413075 0.02729295418886 0.24861266253172 32.065 > 91 124 S 0.37035003413075 0.52729295418886 0.24861266253172 32.065 > 91 125 S 0.82003974461171 0.03093120150602 0.69168242918812 32.065 > 93 126 S 0.82003974461171 0.53093120150602 0.69168242918812 32.065 > 93 127 S 0.41352952785139 0.35191341692236 0.50667216680397 32.065 > 95 128 S 0.41352952785139 0.85191341692236 0.50667216680397 32.065 > 95 129 S 0.38639638020184 0.35961379186273 0.02145762776376 32.065 > 97 130 S 0.38639638020184 0.85961379186273 0.02145762776376 32.065 > 97 131 S 0.61360361979816 0.14038620813728 0.97854237223624 32.065 > 99 132 S 0.61360361979816 0.64038620813727 0.97854237223624 32.065 > 99 133 S 0.67996025538829 0.28093120150602 0.80831757081188 32.065 > 101 134 S 0.67996025538829 0.78093120150602 0.80831757081188 32.065 > 101 135 S 0.32003974461171 0.21906879849398 0.19168242918812 32.065 > 103 136 S 0.32003974461171 0.71906879849398 0.19168242918812 32.065 > 103 137 S 0.41352952785139 0.14808658307764 0.00667216680397 32.065 > 105 138 S 0.41352952785139 0.64808658307764 0.00667216680397 32.065 > 105 139 S 0.58647047214861 0.14808658307764 0.49332783319603 32.065 > 107 140 S 0.58647047214861 0.64808658307764 0.49332783319603 32.065 > 107 141 S 0.62964996586925 0.47270704581114 0.75138733746828 32.065 > 109 142 S 0.62964996586925 0.97270704581114 0.75138733746828 32.065 > 109 143 S 0.38639638020184 0.14038620813728 0.52145762776376 32.065 > 111 144 S 0.38639638020184 0.64038620813727 0.52145762776376 32.065 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.7379292 0.0000000 0.0650748 0.0000000 4.4491559 0.0000000 0.0651381 0.0000000 4.5731716 -------------------------- Born effective charges -------------------------- 1 Na 1.1207129 0.0123489 0.0194132 0.2125387 1.1717905 -0.3046179 0.0473125 -0.2632136 1.1114395 2 Na 0.9748403 0.0000000 -0.4346050 -0.0000000 1.0892155 -0.0000000 -0.2145201 -0.0000000 1.0460979 3 Na 1.2230345 -0.1121685 0.0652160 -0.0077173 1.4641436 0.0043973 -0.1221722 -0.0574090 1.2772549 4 Na 1.2230345 -0.1121685 0.0652160 -0.0077173 1.4641436 0.0043973 -0.1221722 -0.0574090 1.2772549 5 Na 1.1207129 0.0123489 0.0194132 0.2125387 1.1717905 -0.3046179 0.0473125 -0.2632136 1.1114395 6 Na 0.9748403 0.0000000 -0.4346050 -0.0000000 1.0892155 -0.0000000 -0.2145201 -0.0000000 1.0460979 7 Na 1.2230345 0.1121685 0.0652160 0.0077173 1.4641436 -0.0043973 -0.1221722 0.0574090 1.2772549 8 Na 1.2230345 0.1121685 0.0652160 0.0077173 1.4641436 -0.0043973 -0.1221722 0.0574090 1.2772549 9 Na 1.1207129 -0.0123489 0.0194132 -0.2125387 1.1717905 0.3046179 0.0473125 0.2632136 1.1114395 10 Na 1.1207129 -0.0123489 0.0194132 -0.2125387 1.1717905 0.3046179 0.0473125 0.2632136 1.1114395 11 Li 1.0071334 -0.0775194 0.2048510 -0.4913177 1.0982025 0.0853316 0.2027362 0.2517733 0.8440314 12 Li 1.0071334 0.0775194 0.2048510 0.4913177 1.0982025 -0.0853316 0.2027362 -0.2517733 0.8440314 13 Li 1.0071334 0.0775194 0.2048510 0.4913177 1.0982025 -0.0853316 0.2027362 -0.2517733 0.8440314 14 Li 1.4521751 -0.1590084 0.0039946 -0.0513779 0.5831162 -0.0523255 0.1701338 -0.1741718 1.5679485 15 Li 1.4521751 0.1590084 0.0039946 0.0513779 0.5831162 0.0523255 0.1701338 0.1741718 1.5679485 16 Li 1.0071334 -0.0775194 0.2048510 -0.4913177 1.0982025 0.0853316 0.2027362 0.2517733 0.8440314 17 Ti 2.5959651 -0.0318150 0.0442793 -0.1287663 2.2806922 0.0385675 -0.0088066 0.0690393 2.3350238 18 Ti 2.5959651 -0.0318150 0.0442793 -0.1287663 2.2806922 0.0385675 -0.0088066 0.0690393 2.3350238 19 Ti 2.5959651 0.0318150 0.0442793 0.1287663 2.2806922 -0.0385675 -0.0088066 -0.0690393 2.3350238 20 Ti 2.5959651 0.0318150 0.0442793 0.1287663 2.2806922 -0.0385675 -0.0088066 -0.0690393 2.3350238 21 S -1.1967534 0.0744661 -0.0851655 0.0261523 -2.5665445 0.5531254 -0.0409629 0.6687949 -1.6500842 22 S -2.4736045 0.2381063 -0.9203550 0.2685309 -1.0060289 0.1473810 -0.9198239 0.1505686 -1.4658328 23 S -1.1967534 0.0744661 -0.0851655 0.0261523 -2.5665445 0.5531254 -0.0409629 0.6687949 -1.6500842 24 S -1.2045959 -0.1647795 -0.0880681 -0.2820119 -1.9220099 -0.6444615 -0.1029577 -0.7242192 -1.9294202 25 S -2.2853997 0.0881789 0.9751344 0.1696052 -1.3564112 0.0056793 0.9668678 -0.1459835 -1.8294356 26 S -1.1967534 -0.0744661 -0.0851655 -0.0261523 -2.5665445 -0.5531254 -0.0409629 -0.6687949 -1.6500842 27 S -1.2045959 -0.1647795 -0.0880681 -0.2820119 -1.9220099 -0.6444615 -0.1029577 -0.7242192 -1.9294202 28 S -2.4736045 -0.2381063 -0.9203550 -0.2685309 -1.0060289 -0.1473810 -0.9198239 -0.1505686 -1.4658328 29 S -2.2853997 -0.0881789 0.9751344 -0.1696052 -1.3564112 -0.0056793 0.9668678 0.1459835 -1.8294356 30 S -2.2853997 -0.0881789 0.9751344 -0.1696052 -1.3564112 -0.0056793 0.9668678 0.1459835 -1.8294356 31 S -1.2045959 0.1647795 -0.0880681 0.2820119 -1.9220099 0.6444615 -0.1029577 0.7242192 -1.9294202 32 S -1.2045959 0.1647795 -0.0880681 0.2820119 -1.9220099 0.6444615 -0.1029577 0.7242192 -1.9294202 33 S -2.4736045 0.2381063 -0.9203550 0.2685309 -1.0060289 0.1473810 -0.9198239 0.1505686 -1.4658328 34 S -2.4736045 -0.2381063 -0.9203550 -0.2685309 -1.0060289 -0.1473810 -0.9198239 -0.1505686 -1.4658328 35 S -1.1967534 -0.0744661 -0.0851655 -0.0261523 -2.5665445 -0.5531254 -0.0409629 -0.6687949 -1.6500842 36 S -2.2853997 0.0881789 0.9751344 0.1696052 -1.3564112 0.0056793 0.9668678 -0.1459835 -1.8294356 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xzx) -0.00000000 (xzx) -0.00000000 (xxz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 7 6 ] 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: 309, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/88) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.597 ( 0.000 0.000 0.000) 0.000 1.920 ( 0.000 0.000 0.000) 0.000 2.033 ( 0.000 0.000 0.000) 0.000 2.111 ( 0.000 0.000 0.000) 0.000 2.284 ( 0.000 0.000 0.000) 0.000 2.329 ( 0.000 0.000 0.000) 0.000 2.340 ( 0.000 0.000 0.000) 0.000 2.502 ( 0.000 0.000 0.000) 0.000 2.553 ( 0.000 0.000 0.000) 0.000 2.564 ( 0.000 0.000 0.000) 0.000 2.644 ( 0.000 0.000 0.000) 0.000 2.726 ( 0.000 0.000 0.000) 0.000 2.742 ( 0.000 0.000 0.000) 0.000 2.821 ( 0.000 0.000 0.000) 0.000 2.881 ( 0.000 0.000 0.000) 0.000 3.030 ( 0.000 0.000 0.000) 0.000 3.110 ( 0.000 0.000 0.000) 0.000 3.133 ( 0.000 0.000 0.000) 0.000 3.175 ( 0.000 0.000 0.000) 0.000 3.179 ( 0.000 0.000 0.000) 0.000 3.309 ( 0.000 0.000 0.000) 0.000 3.391 ( 0.000 0.000 0.000) 0.000 3.476 ( 0.000 0.000 0.000) 0.000 3.487 ( 0.000 0.000 0.000) 0.000 3.497 ( 0.000 0.000 0.000) 0.000 3.505 ( 0.000 0.000 0.000) 0.000 3.599 ( 0.000 0.000 0.000) 0.000 3.621 ( 0.000 0.000 0.000) 0.000 3.712 ( 0.000 0.000 0.000) 0.000 3.749 ( 0.000 0.000 0.000) 0.000 3.766 ( 0.000 0.000 0.000) 0.000 3.893 ( 0.000 0.000 0.000) 0.000 3.902 ( 0.000 0.000 0.000) 0.000 4.055 ( 0.000 0.000 0.000) 0.000 4.067 ( 0.000 0.000 0.000) 0.000 4.179 ( 0.000 0.000 0.000) 0.000 4.217 ( 0.000 0.000 0.000) 0.000 4.291 ( 0.000 0.000 0.000) 0.000 4.392 ( 0.000 0.000 0.000) 0.000 4.422 ( 0.000 0.000 0.000) 0.000 4.542 ( 0.000 0.000 0.000) 0.000 4.590 ( 0.000 0.000 0.000) 0.000 4.691 ( 0.000 0.000 0.000) 0.000 4.789 ( 0.000 0.000 0.000) 0.000 4.836 ( 0.000 0.000 0.000) 0.000 4.865 ( 0.000 0.000 0.000) 0.000 4.892 ( 0.000 0.000 0.000) 0.000 4.956 ( 0.000 0.000 0.000) 0.000 5.128 ( 0.000 0.000 0.000) 0.000 5.129 ( 0.000 0.000 0.000) 0.000 5.316 ( 0.000 0.000 0.000) 0.000 5.342 ( 0.000 0.000 0.000) 0.000 5.404 ( 0.000 0.000 0.000) 0.000 5.409 ( 0.000 0.000 0.000) 0.000 5.420 ( 0.000 0.000 0.000) 0.000 5.473 ( 0.000 0.000 0.000) 0.000 5.616 ( 0.000 0.000 0.000) 0.000 5.651 ( 0.000 0.000 0.000) 0.000 5.699 ( 0.000 0.000 0.000) 0.000 5.820 ( 0.000 0.000 0.000) 0.000 5.885 ( 0.000 0.000 0.000) 0.000 5.890 ( 0.000 0.000 0.000) 0.000 5.950 ( 0.000 0.000 0.000) 0.000 6.141 ( 0.000 0.000 0.000) 0.000 6.151 ( 0.000 0.000 0.000) 0.000 6.313 ( 0.000 0.000 0.000) 0.000 6.430 ( 0.000 0.000 0.000) 0.000 6.445 ( 0.000 0.000 0.000) 0.000 6.507 ( 0.000 0.000 0.000) 0.000 6.609 ( 0.000 0.000 0.000) 0.000 6.727 ( 0.000 0.000 0.000) 0.000 6.758 ( 0.000 0.000 0.000) 0.000 6.795 ( 0.000 0.000 0.000) 0.000 7.169 ( 0.000 0.000 0.000) 0.000 7.183 ( 0.000 0.000 0.000) 0.000 8.944 ( 0.000 0.000 0.000) 0.000 9.036 ( 0.000 0.000 0.000) 0.000 9.037 ( 0.000 0.000 0.000) 0.000 9.050 ( 0.000 0.000 0.000) 0.000 10.552 ( 0.000 0.000 0.000) 0.000 10.605 ( 0.000 0.000 0.000) 0.000 10.626 ( 0.000 0.000 0.000) 0.000 10.858 ( 0.000 0.000 0.000) 0.000 10.902 ( 0.000 0.000 0.000) 0.000 11.036 ( 0.000 0.000 0.000) 0.000 11.110 ( 0.000 0.000 0.000) 0.000 11.273 ( 0.000 0.000 0.000) 0.000 11.318 ( 0.000 0.000 0.000) 0.000 11.447 ( 0.000 0.000 0.000) 0.000 11.734 ( 0.000 0.000 0.000) 0.000 12.079 ( 0.000 0.000 0.000) 0.000 12.094 ( 0.000 0.000 0.000) 0.000 12.196 ( 0.000 0.000 0.000) 0.000 12.669 ( 0.000 0.000 0.000) 0.000 12.880 ( 0.000 0.000 0.000) 0.000 13.103 ( 0.000 0.000 0.000) 0.000 13.143 ( 0.000 0.000 0.000) 0.000 13.278 ( 0.000 0.000 0.000) 0.000 13.294 ( 0.000 0.000 0.000) 0.000 13.359 ( 0.000 0.000 0.000) 0.000 13.465 ( 0.000 0.000 0.000) 0.000 13.514 ( 0.000 0.000 0.000) 0.000 13.733 ( 0.000 0.000 0.000) 0.000 13.884 ( 0.000 0.000 0.000) 0.000 13.983 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/88) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( 0.780 -23.889 15.181) 28.315 0.508 ( 8.032 -20.445 17.272) 27.944 0.962 ( 25.892 -40.779 15.189) 50.636 1.610 ( 0.873 0.679 2.529) 2.760 1.940 ( -2.274 1.414 1.549) 3.094 1.989 ( -3.922 0.447 0.131) 3.950 2.117 ( -5.313 -2.083 -3.222) 6.554 2.270 ( 1.297 1.045 -4.441) 4.743 2.323 ( 7.559 4.389 -6.599) 10.952 2.437 ( 3.729 5.963 0.027) 7.033 2.470 ( 8.076 7.735 -4.867) 12.196 2.548 ( -1.682 -0.309 -0.816) 1.895 2.630 ( 5.735 1.438 1.107) 6.015 2.685 ( 0.756 -1.501 -5.106) 5.376 2.706 ( 0.602 2.927 -0.336) 3.008 2.748 ( -1.246 3.852 1.619) 4.360 2.799 ( 4.205 -1.298 -5.724) 7.220 2.915 ( 0.340 4.321 7.943) 9.049 3.010 ( -1.846 -1.727 -2.896) 3.844 3.080 ( -0.615 2.039 -2.358) 3.178 3.129 ( -2.095 2.028 2.894) 4.108 3.143 ( -3.276 2.071 1.948) 4.338 3.222 ( 2.386 -0.439 1.475) 2.840 3.318 ( 1.412 4.270 -3.520) 5.711 3.359 ( -1.197 2.848 -1.386) 3.386 3.391 ( -5.222 2.536 0.064) 5.805 3.469 ( -0.713 -1.089 -3.273) 3.522 3.531 ( 4.830 -1.548 1.152) 5.201 3.591 ( 2.624 -2.913 4.081) 5.660 3.633 ( 1.029 -8.000 -3.283) 8.709 3.666 ( 0.629 2.887 0.481) 2.994 3.741 ( 0.359 0.693 0.408) 0.881 3.764 ( 0.064 0.544 2.920) 2.971 3.808 ( 2.105 -4.312 4.153) 6.346 3.902 ( -0.111 2.000 3.484) 4.019 3.971 ( -1.425 -2.146 1.845) 3.168 4.031 ( -2.375 1.616 -2.507) 3.813 4.175 ( -0.996 2.117 -3.847) 4.502 4.201 ( -4.146 -2.421 5.137) 7.031 4.239 ( -3.707 0.207 0.055) 3.713 4.306 ( -6.039 -4.558 0.539) 7.585 4.454 ( 4.449 0.837 -6.003) 7.519 4.518 ( 3.353 0.447 3.111) 4.596 4.564 ( 3.352 3.934 0.042) 5.169 4.636 ( 3.778 -1.088 3.097) 5.005 4.689 ( -1.301 0.353 1.880) 2.313 4.755 ( -5.535 1.707 -4.529) 7.352 4.868 ( 0.068 -1.518 -0.979) 1.808 4.875 ( 2.109 1.506 -0.679) 2.679 4.950 ( 3.222 -2.305 -4.792) 6.218 5.016 ( 2.143 -2.311 1.900) 3.680 5.075 ( -2.222 5.716 -3.288) 6.959 5.172 ( 5.264 1.631 5.004) 7.444 5.265 ( -0.220 3.409 -0.823) 3.514 5.330 ( -4.678 -0.682 -4.432) 6.481 5.394 ( -2.286 -1.778 -3.881) 4.842 5.402 ( -1.808 2.763 3.420) 4.754 5.459 ( 2.597 -2.543 -2.940) 4.675 5.508 ( 4.548 -2.582 -2.253) 5.695 5.651 ( 3.049 1.075 7.133) 7.832 5.690 ( -1.350 1.034 5.043) 5.322 5.710 ( 1.606 3.845 -0.124) 4.169 5.801 ( -0.409 2.081 -0.396) 2.158 5.865 ( -0.739 1.084 -1.432) 1.942 5.881 ( 0.751 4.650 2.469) 5.318 5.945 ( 1.146 1.163 2.551) 3.029 6.157 ( 1.219 -0.920 1.315) 2.015 6.205 ( 0.271 -1.111 -1.643) 2.002 6.266 ( 1.847 6.115 1.617) 6.590 6.373 ( -1.345 4.599 1.761) 5.105 6.424 ( -2.453 7.660 -0.007) 8.043 6.546 ( -0.101 -7.410 0.487) 7.427 6.597 ( -1.416 0.368 -0.422) 1.523 6.759 ( -0.754 -4.968 -0.287) 5.033 6.827 ( -1.550 -4.981 -0.999) 5.312 7.021 ( -10.276 -10.158 0.199) 14.451 7.168 ( 2.675 0.639 -1.229) 3.013 7.283 ( 6.287 0.826 -1.324) 6.478 8.936 ( 0.067 0.470 -0.985) 1.093 9.019 ( -0.257 0.481 -0.906) 1.058 9.039 ( -0.338 0.407 0.404) 0.665 9.068 ( 0.052 -0.879 1.160) 1.456 10.569 ( 1.306 -1.445 -0.251) 1.964 10.612 ( -0.441 -0.886 0.053) 0.991 10.635 ( 0.008 -0.372 1.150) 1.209 10.853 ( 0.157 -0.013 -1.309) 1.318 10.920 ( -0.011 -1.125 0.255) 1.153 11.043 ( -3.150 1.735 5.478) 6.553 11.129 ( 2.142 -1.298 0.194) 2.512 11.299 ( 3.069 1.626 2.383) 4.212 11.457 ( 1.486 0.097 1.007) 1.797 11.657 ( -4.829 3.866 -2.677) 6.740 11.884 ( -11.019 -3.878 6.625) 13.429 12.027 ( -1.793 3.923 -0.241) 4.320 12.148 ( 6.095 0.214 -3.943) 7.263 12.380 ( 0.853 -4.924 -6.936) 8.549 12.701 ( 0.866 -3.339 0.750) 3.530 12.878 ( -3.303 1.782 3.733) 5.294 13.062 ( -0.364 3.042 -2.185) 3.762 13.142 ( 0.014 0.245 0.033) 0.248 13.224 ( -2.180 3.756 -1.564) 4.616 13.347 ( 2.918 2.698 1.946) 4.425 13.424 ( 5.047 1.431 5.361) 7.501 13.474 ( 2.546 -0.293 1.922) 3.204 13.728 ( -3.104 -0.670 0.589) 3.229 13.770 ( -7.763 -8.300 -3.495) 11.890 13.951 ( 3.233 -0.200 -1.880) 3.745 14.411 ( 6.684 4.001 -3.003) 8.349 ======================= Grid point 2 (3/88) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 0.778 -23.138 13.723) 26.913 0.998 ( 6.518 -19.702 16.246) 26.355 1.637 ( 0.941 1.645 5.416) 5.738 1.816 ( 12.191 -21.760 7.766) 26.124 1.844 ( 2.930 -5.756 1.332) 6.595 1.975 ( 2.381 4.552 -2.006) 5.515 2.095 ( 0.576 -1.674 -3.064) 3.539 2.203 ( 3.016 1.215 -9.212) 9.769 2.242 ( 0.070 1.134 -6.922) 7.014 2.363 ( 1.901 5.105 -5.240) 7.559 2.432 ( 2.109 1.653 0.829) 2.805 2.529 ( -0.464 -0.658 -2.334) 2.469 2.559 ( -7.919 6.764 0.338) 10.420 2.615 ( 1.516 2.701 -2.918) 4.255 2.664 ( 0.677 3.424 -1.657) 3.863 2.735 ( 2.756 -1.179 -0.726) 3.085 2.840 ( 1.470 -1.612 -3.006) 3.714 2.921 ( -0.738 1.358 4.021) 4.307 2.978 ( -7.773 -0.525 1.379) 7.912 3.019 ( -0.962 2.487 -2.603) 3.727 3.068 ( -2.387 0.568 -1.221) 2.740 3.146 ( 1.066 0.338 4.526) 4.662 3.220 ( 5.199 4.763 -5.379) 8.868 3.257 ( -0.283 -1.823 1.248) 2.228 3.319 ( 0.709 1.017 -3.046) 3.289 3.378 ( -1.534 -1.410 6.226) 6.566 3.492 ( 0.309 -0.563 -0.489) 0.807 3.579 ( -2.732 -0.659 -2.160) 3.545 3.619 ( 5.454 3.887 2.120) 7.025 3.673 ( -1.541 -0.849 3.198) 3.650 3.706 ( -0.132 -0.093 0.309) 0.349 3.741 ( -1.150 -1.256 1.973) 2.606 3.799 ( 4.404 0.718 -0.590) 4.501 3.845 ( -2.041 4.260 -0.108) 4.725 3.882 ( 0.503 -4.380 -1.663) 4.712 3.958 ( -2.777 0.066 -0.851) 2.905 4.038 ( -1.217 -3.038 2.865) 4.349 4.110 ( -2.988 -2.948 -4.265) 5.984 4.236 ( -2.263 -0.007 -1.134) 2.531 4.250 ( -2.011 -0.747 3.481) 4.089 4.319 ( -4.224 -2.734 1.388) 5.219 4.443 ( 0.900 -0.215 -1.667) 1.906 4.494 ( 0.943 5.560 -0.071) 5.640 4.554 ( -1.191 -1.329 0.007) 1.785 4.650 ( -2.204 3.608 -0.034) 4.228 4.685 ( -1.909 2.077 3.126) 4.211 4.715 ( 3.016 -2.413 2.956) 4.864 4.846 ( -1.014 1.860 -0.393) 2.155 4.895 ( -2.046 4.168 -1.721) 4.952 4.924 ( 5.022 -2.337 -1.479) 5.733 5.019 ( 1.486 -1.682 -1.412) 2.652 5.070 ( 0.066 -0.548 2.158) 2.227 5.193 ( -1.868 3.301 -1.685) 4.150 5.244 ( 5.311 0.115 3.319) 6.264 5.286 ( -0.952 0.065 -0.343) 1.014 5.344 ( -0.183 1.678 -5.295) 5.557 5.387 ( 2.837 2.223 2.759) 4.539 5.508 ( -1.410 -5.413 -0.133) 5.595 5.573 ( 5.306 -0.508 -0.000) 5.330 5.661 ( -0.126 1.345 -1.581) 2.079 5.682 ( -1.872 1.956 1.373) 3.036 5.721 ( 3.639 0.456 4.003) 5.429 5.751 ( -1.728 2.113 -1.282) 3.015 5.819 ( -0.625 2.563 -1.764) 3.173 5.848 ( 1.136 2.870 2.380) 3.898 5.943 ( -1.781 0.485 0.235) 1.861 6.146 ( -0.858 3.056 -1.605) 3.557 6.199 ( 0.143 4.658 -0.240) 4.666 6.221 ( 2.810 2.035 1.507) 3.783 6.267 ( 1.404 6.694 2.342) 7.230 6.357 ( -3.498 -0.545 -0.571) 3.586 6.569 ( -1.764 0.915 0.371) 2.022 6.662 ( 1.364 -6.161 0.586) 6.337 6.839 ( -0.814 -5.296 0.154) 5.360 6.873 ( -0.983 -3.996 -1.388) 4.342 7.089 ( -5.284 -6.232 1.503) 8.307 7.174 ( 3.681 0.403 -2.485) 4.459 7.313 ( 0.274 -2.208 -0.915) 2.406 8.920 ( 0.101 0.518 -1.123) 1.241 9.007 ( -0.198 0.324 -0.228) 0.443 9.031 ( -0.507 0.289 0.082) 0.589 9.087 ( 0.068 -0.484 0.896) 1.020 10.602 ( 1.404 -1.538 -0.493) 2.140 10.623 ( -0.332 -0.929 0.004) 0.987 10.659 ( 0.741 -1.023 1.374) 1.867 10.841 ( -0.379 0.077 -1.691) 1.734 10.944 ( 0.523 -1.068 1.056) 1.590 11.031 ( -2.243 1.448 3.084) 4.079 11.190 ( 3.288 -2.709 1.941) 4.682 11.319 ( 2.711 0.945 1.351) 3.173 11.474 ( 1.136 0.670 0.882) 1.587 11.546 ( -2.787 3.173 -2.413) 4.864 11.870 ( -4.221 0.173 -0.619) 4.270 11.973 ( -4.779 0.184 2.227) 5.276 12.130 ( 1.876 2.491 -3.801) 4.916 12.412 ( 0.516 -2.322 -0.917) 2.549 12.785 ( 1.371 -5.570 0.631) 5.771 12.852 ( 0.551 1.247 -1.033) 1.711 13.007 ( -0.832 1.656 -0.452) 1.908 13.132 ( -0.363 1.857 0.970) 2.126 13.139 ( -0.736 4.437 -0.726) 4.555 13.341 ( -0.028 0.519 -0.121) 0.533 13.436 ( 1.023 1.437 0.581) 1.857 13.557 ( 5.929 0.410 6.679) 8.940 13.710 ( -5.848 -1.626 -0.190) 6.073 13.764 ( -1.926 -0.194 -3.825) 4.287 14.006 ( 0.731 -6.117 -1.361) 6.309 14.374 ( 2.080 3.183 -1.893) 4.247 ======================= Grid point 3 (4/88) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 0.875 -17.350 9.088) 19.606 1.431 ( 2.026 -17.279 12.854) 21.631 1.618 ( -2.770 3.342 3.427) 5.531 1.730 ( 2.159 8.441 -4.620) 9.861 1.816 ( 3.703 11.084 -7.646) 13.965 2.041 ( 0.343 3.620 -3.142) 4.805 2.135 ( -0.643 -3.589 -4.031) 5.436 2.205 ( 1.597 -2.557 1.036) 3.188 2.251 ( -3.645 0.756 -1.652) 4.073 2.335 ( -1.832 3.560 -3.961) 5.632 2.410 ( 1.158 -1.073 -3.553) 3.888 2.505 ( 0.101 -2.534 2.825) 3.796 2.551 ( 3.339 2.143 -1.248) 4.159 2.612 ( -0.032 -1.749 1.682) 2.427 2.636 ( 5.128 -5.201 0.934) 7.363 2.772 ( 1.543 -0.120 3.744) 4.051 2.844 ( -3.689 -2.261 0.514) 4.357 2.901 ( -1.481 -0.849 -2.064) 2.678 2.953 ( 2.192 1.026 -1.150) 2.680 3.025 ( -4.517 -3.926 1.752) 6.236 3.078 ( 1.719 -5.877 0.275) 6.130 3.131 ( 4.808 5.830 -1.339) 7.675 3.205 ( 1.390 -0.520 0.284) 1.511 3.273 ( 0.526 2.332 -3.534) 4.267 3.336 ( -0.464 -1.549 3.069) 3.469 3.433 ( 0.794 2.676 0.692) 2.876 3.456 ( 2.525 -2.224 3.238) 4.669 3.523 ( -4.823 1.799 -3.686) 6.331 3.571 ( -3.232 7.325 1.137) 8.087 3.648 ( -1.242 3.106 2.214) 4.011 3.688 ( 2.036 -1.097 -1.675) 2.856 3.742 ( -2.431 3.642 1.391) 4.594 3.782 ( -0.196 -1.546 1.738) 2.334 3.856 ( -0.092 -4.935 -3.012) 5.782 3.917 ( 1.309 2.935 -0.075) 3.214 3.963 ( 0.991 -2.063 -0.825) 2.433 4.039 ( -3.097 1.245 -0.375) 3.359 4.103 ( -2.489 -1.561 -2.008) 3.559 4.223 ( -1.545 -4.235 0.986) 4.615 4.270 ( 2.226 -0.771 -2.279) 3.278 4.324 ( -1.765 1.015 3.199) 3.792 4.408 ( -2.277 3.233 -0.185) 3.958 4.465 ( 1.122 -0.457 -0.189) 1.226 4.559 ( -0.293 -1.012 -0.780) 1.311 4.609 ( -0.662 2.590 0.849) 2.805 4.638 ( -0.461 2.237 0.006) 2.284 4.771 ( 0.016 -0.007 -1.114) 1.114 4.819 ( -0.023 -0.798 6.148) 6.199 4.916 ( 0.956 -3.514 1.199) 3.834 4.962 ( 3.486 0.098 -3.626) 5.031 5.028 ( 0.355 -0.231 -1.231) 1.302 5.049 ( -1.503 3.544 0.034) 3.849 5.146 ( -1.430 -0.557 0.171) 1.544 5.254 ( 0.270 1.270 -3.601) 3.828 5.303 ( 2.476 -0.210 1.528) 2.917 5.348 ( -1.092 -3.119 4.952) 5.953 5.405 ( 3.915 2.419 0.529) 4.632 5.555 ( 1.319 4.238 -2.185) 4.947 5.588 ( -0.355 -4.567 1.209) 4.737 5.644 ( 1.471 1.115 1.373) 2.300 5.666 ( -1.538 -3.234 -4.514) 5.762 5.702 ( -2.085 1.769 0.244) 2.746 5.746 ( 1.029 2.350 2.080) 3.303 5.778 ( -0.092 0.184 -0.805) 0.831 5.823 ( -0.469 2.350 1.113) 2.642 5.938 ( -0.033 -1.425 -0.261) 1.449 6.047 ( -1.279 4.446 -2.586) 5.300 6.140 ( -0.161 1.529 0.851) 1.757 6.225 ( 0.127 0.379 0.280) 0.488 6.263 ( 3.487 2.567 3.212) 5.392 6.336 ( -2.700 -1.489 -2.073) 3.715 6.553 ( -0.618 0.345 0.356) 0.793 6.744 ( 0.894 -2.371 0.754) 2.644 6.870 ( -1.184 -1.318 -0.643) 1.885 6.920 ( 0.419 -2.160 -0.077) 2.201 7.139 ( -3.799 -3.501 2.373) 5.685 7.168 ( 3.467 1.619 -2.905) 4.804 7.334 ( -0.401 -1.251 -0.330) 1.355 8.909 ( 0.048 0.206 -0.461) 0.507 9.002 ( -0.074 0.114 -0.020) 0.138 9.025 ( -0.238 0.108 0.002) 0.262 9.097 ( 0.026 -0.140 0.315) 0.346 10.625 ( 0.747 -0.804 -0.535) 1.221 10.632 ( -0.300 -0.208 0.451) 0.581 10.689 ( 0.751 -0.753 0.557) 1.200 10.821 ( -0.599 0.315 -0.937) 1.156 10.974 ( 0.867 -1.129 0.917) 1.693 11.009 ( -1.455 1.369 0.626) 2.093 11.273 ( 2.105 -1.902 2.110) 3.536 11.336 ( 1.532 -0.151 0.198) 1.552 11.457 ( -0.611 1.200 -0.581) 1.467 11.495 ( -0.455 0.931 -0.449) 1.129 11.830 ( -1.440 0.507 -0.768) 1.709 11.973 ( -2.888 -1.594 2.120) 3.921 12.065 ( 0.779 2.983 -2.893) 4.228 12.435 ( 0.069 -0.731 0.080) 0.739 12.839 ( 1.251 0.217 -1.345) 1.849 12.878 ( 0.569 -3.939 0.240) 3.987 12.993 ( -0.828 -0.218 0.465) 0.974 13.071 ( 0.030 3.312 0.612) 3.368 13.108 ( -0.138 1.675 0.324) 1.712 13.332 ( -0.254 0.070 -0.553) 0.613 13.427 ( 0.467 0.714 -0.027) 0.853 13.641 ( 4.209 1.161 7.068) 8.308 13.685 ( -5.299 -2.538 -1.591) 6.087 13.709 ( 0.188 1.469 -4.928) 5.146 14.086 ( 0.055 -3.604 0.002) 3.605 14.331 ( 0.497 1.905 -0.866) 2.150 ======================= Grid point 8 (5/88) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( 10.859 -0.000 24.730) 27.009 0.654 ( 25.690 -0.000 14.438) 29.469 1.077 ( 29.801 -0.000 32.596) 44.166 1.660 ( 1.963 -0.000 4.990) 5.362 1.921 ( -10.704 0.000 1.594) 10.822 1.941 ( 0.861 -0.000 -1.599) 1.816 2.049 ( -3.838 0.000 -2.048) 4.350 2.257 ( 4.250 -0.000 -6.479) 7.749 2.358 ( -1.312 0.000 -15.608) 15.663 2.433 ( 13.636 -0.000 -6.199) 14.979 2.537 ( -2.315 0.000 1.538) 2.780 2.590 ( -2.766 0.000 -2.399) 3.661 2.621 ( 4.551 -0.000 6.258) 7.737 2.688 ( -1.454 0.000 -8.643) 8.764 2.704 ( -3.885 0.000 -1.588) 4.197 2.748 ( 1.301 -0.000 -9.882) 9.967 2.752 ( 4.183 -0.000 -5.452) 6.872 2.914 ( -7.202 0.000 -4.221) 8.348 2.982 ( -0.082 0.000 -6.967) 6.968 3.110 ( -7.533 0.000 1.001) 7.599 3.185 ( -4.505 0.000 5.081) 6.791 3.214 ( 1.638 -0.000 6.399) 6.605 3.261 ( -2.344 0.000 1.988) 3.074 3.282 ( 4.734 -0.000 3.143) 5.682 3.372 ( 2.034 -0.000 -4.311) 4.766 3.430 ( 1.280 -0.000 1.827) 2.231 3.467 ( -0.225 0.000 -1.731) 1.745 3.503 ( -0.826 0.000 0.386) 0.912 3.523 ( 3.849 -0.000 -9.437) 10.192 3.632 ( 4.331 -0.000 3.579) 5.619 3.698 ( 1.437 -0.000 -1.322) 1.952 3.742 ( -0.790 0.000 0.381) 0.877 3.751 ( -1.867 0.000 2.281) 2.948 3.869 ( -7.737 0.000 -5.983) 9.780 3.911 ( -5.341 0.000 1.897) 5.668 3.931 ( 4.548 -0.000 10.615) 11.548 4.084 ( -2.123 0.000 9.487) 9.721 4.125 ( -11.267 0.000 -4.627) 12.180 4.181 ( 8.480 -0.000 1.246) 8.571 4.230 ( -0.613 0.000 3.267) 3.324 4.265 ( -3.545 0.000 2.666) 4.436 4.457 ( 3.608 -0.000 -3.894) 5.309 4.541 ( -4.092 0.000 -2.225) 4.658 4.628 ( 0.330 -0.000 -1.544) 1.579 4.687 ( -1.254 0.000 2.775) 3.045 4.688 ( 8.682 -0.000 -6.582) 10.895 4.718 ( -0.289 0.000 5.383) 5.391 4.827 ( 0.300 -0.000 0.690) 0.752 4.890 ( 0.829 -0.000 -2.179) 2.331 4.957 ( 4.296 -0.000 -2.415) 4.928 5.008 ( 3.938 -0.000 -4.161) 5.729 5.061 ( -3.663 0.000 -0.464) 3.692 5.228 ( -6.078 0.000 -5.475) 8.181 5.241 ( -0.647 0.000 1.406) 1.547 5.298 ( -2.287 0.000 0.182) 2.294 5.360 ( 4.802 -0.000 5.303) 7.154 5.380 ( -1.562 0.000 -4.718) 4.970 5.469 ( 3.841 -0.000 -7.012) 7.995 5.498 ( 5.201 -0.000 1.237) 5.346 5.700 ( -1.237 0.000 1.248) 1.757 5.713 ( 2.443 -0.000 4.540) 5.155 5.792 ( 3.984 -0.000 -5.731) 6.979 5.839 ( -5.040 0.000 4.206) 6.564 5.854 ( -0.850 0.000 -0.836) 1.192 5.933 ( -2.065 0.000 4.751) 5.181 6.057 ( 4.934 -0.000 5.404) 7.318 6.125 ( -1.093 0.000 -0.345) 1.147 6.232 ( 5.486 -0.000 3.188) 6.345 6.363 ( 2.542 -0.000 1.339) 2.873 6.420 ( -6.805 0.000 -1.832) 7.047 6.453 ( 1.967 -0.000 1.776) 2.650 6.504 ( 0.578 -0.000 -0.177) 0.604 6.564 ( -2.881 0.000 -2.463) 3.790 6.729 ( 0.170 -0.000 0.052) 0.177 6.742 ( -1.709 0.000 -0.177) 1.718 6.837 ( -7.748 0.000 2.646) 8.187 7.189 ( 1.757 -0.000 0.969) 2.006 7.278 ( -0.336 0.000 -6.437) 6.446 8.930 ( 0.190 -0.000 -1.768) 1.778 9.001 ( -0.561 0.000 -1.906) 1.987 9.061 ( -0.420 0.000 1.546) 1.602 9.064 ( 0.065 -0.000 1.418) 1.420 10.568 ( 2.529 -0.000 -0.367) 2.555 10.606 ( -0.113 0.000 0.435) 0.450 10.643 ( 0.112 -0.000 2.145) 2.147 10.839 ( 0.413 -0.000 -2.877) 2.906 10.920 ( 0.857 -0.000 1.509) 1.736 11.073 ( -6.440 0.000 6.487) 9.141 11.148 ( 3.296 -0.000 1.035) 3.455 11.301 ( -0.424 0.000 -1.778) 1.828 11.484 ( 2.071 -0.000 1.451) 2.529 11.623 ( -4.757 0.000 -2.774) 5.507 11.867 ( -8.153 0.000 11.488) 14.087 12.000 ( -7.102 0.000 -2.232) 7.445 12.233 ( 3.299 -0.000 -0.279) 3.311 12.278 ( 12.877 -0.000 -8.621) 15.496 12.711 ( 3.554 -0.000 0.622) 3.608 12.892 ( -5.125 0.000 4.492) 6.815 13.063 ( -2.185 0.000 -2.606) 3.401 13.112 ( 0.078 -0.000 -3.335) 3.336 13.186 ( -3.908 0.000 -3.629) 5.333 13.414 ( -2.302 0.000 0.298) 2.321 13.487 ( 1.408 -0.000 1.834) 2.312 13.548 ( 2.188 -0.000 3.293) 3.954 13.610 ( 0.545 -0.000 5.348) 5.376 13.696 ( -5.318 0.000 1.519) 5.530 13.967 ( 2.085 -0.000 -3.387) 3.978 14.466 ( 4.766 -0.000 -7.357) 8.766 ======================= Grid point 9 (6/88) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 12.389 -6.411 17.917) 22.708 1.046 ( 13.809 -8.584 20.996) 26.556 1.693 ( 2.477 -5.802 11.249) 12.897 1.712 ( 12.956 -13.532 16.042) 24.664 1.840 ( 0.918 0.645 -3.026) 3.227 1.967 ( 0.853 -4.594 -4.442) 6.447 2.025 ( -2.157 -1.682 -0.336) 2.756 2.209 ( 4.075 4.128 -11.292) 12.695 2.240 ( 1.721 2.291 -6.376) 6.990 2.455 ( 0.503 6.013 -6.775) 9.072 2.470 ( 3.551 3.778 -5.818) 7.793 2.526 ( 1.444 0.746 0.346) 1.662 2.583 ( 0.275 5.601 -6.470) 8.562 2.612 ( -3.066 0.071 -0.908) 3.199 2.692 ( 2.608 0.157 -5.516) 6.104 2.715 ( -1.027 -0.183 -3.312) 3.472 2.761 ( 0.878 -3.429 0.039) 3.540 2.859 ( -5.744 -2.181 -1.798) 6.402 2.926 ( -3.268 -0.570 -3.153) 4.577 3.017 ( -8.259 1.292 -0.451) 8.372 3.153 ( -2.279 9.484 4.910) 10.921 3.183 ( -5.746 -1.336 -1.635) 6.122 3.244 ( 4.982 1.886 3.041) 6.134 3.307 ( 4.895 3.975 -0.625) 6.336 3.365 ( 3.898 2.379 -1.008) 4.677 3.427 ( -1.872 0.080 5.793) 6.088 3.453 ( 0.600 -1.262 0.221) 1.415 3.534 ( 0.160 -2.635 -1.907) 3.256 3.602 ( 3.482 -6.618 -3.106) 8.097 3.678 ( -0.483 0.813 4.914) 5.004 3.727 ( 0.447 0.008 0.709) 0.839 3.745 ( -1.303 -4.912 -1.596) 5.326 3.758 ( -0.205 0.465 -0.179) 0.539 3.814 ( -4.183 -4.455 -4.401) 7.531 3.905 ( -1.652 -0.701 3.071) 3.557 3.925 ( -3.852 4.931 -0.418) 6.271 4.058 ( 0.254 1.413 2.711) 3.067 4.099 ( 1.650 2.687 4.886) 5.815 4.220 ( -4.946 2.794 -0.278) 5.687 4.264 ( 0.171 -0.875 3.505) 3.617 4.295 ( 4.625 -1.436 4.129) 6.364 4.437 ( -2.653 1.113 -1.381) 3.191 4.487 ( -2.469 -1.284 -1.252) 3.051 4.584 ( -1.270 5.458 -0.601) 5.636 4.647 ( -0.565 -0.059 -1.211) 1.338 4.739 ( 2.126 0.563 1.668) 2.761 4.762 ( 0.743 1.486 7.381) 7.565 4.843 ( 1.122 -0.658 -3.308) 3.555 4.868 ( -2.278 -1.414 -1.952) 3.316 4.966 ( 0.404 2.189 0.555) 2.294 5.007 ( 3.204 -1.369 -1.442) 3.771 5.064 ( 0.126 -1.450 0.506) 1.540 5.149 ( -4.146 -0.698 -4.633) 6.256 5.249 ( -3.762 -3.335 -0.182) 5.031 5.274 ( -1.612 0.360 -0.444) 1.710 5.323 ( 0.346 0.969 -3.472) 3.621 5.431 ( 0.901 -0.156 -6.630) 6.693 5.487 ( 8.819 -1.606 4.605) 10.077 5.574 ( 4.539 -1.666 1.621) 5.100 5.660 ( -1.477 2.292 -3.878) 4.741 5.740 ( 0.660 1.824 1.825) 2.663 5.766 ( 2.484 2.863 -3.058) 4.870 5.805 ( -1.802 2.515 4.152) 5.178 5.850 ( 1.193 1.377 1.947) 2.666 5.931 ( -1.994 2.601 4.346) 5.443 6.022 ( 2.897 7.631 2.731) 8.607 6.167 ( -0.051 0.312 2.327) 2.349 6.255 ( -1.294 4.446 -3.387) 5.738 6.299 ( -0.569 3.092 -2.523) 4.031 6.340 ( 0.248 5.468 1.907) 5.796 6.413 ( 1.944 6.616 1.846) 7.139 6.553 ( -2.302 -1.282 -0.157) 2.639 6.563 ( 1.271 -7.362 -0.033) 7.471 6.758 ( -1.927 -4.433 0.897) 4.917 6.782 ( 0.585 -5.709 -0.995) 5.825 6.911 ( -5.559 -11.217 -0.033) 12.519 7.195 ( 1.595 1.171 -1.797) 2.673 7.258 ( -0.511 -2.866 -1.185) 3.143 8.915 ( 0.153 0.193 -1.708) 1.725 8.985 ( -0.698 -0.525 -1.779) 1.982 9.055 ( -0.167 1.222 1.618) 2.035 9.085 ( -0.175 -0.696 1.022) 1.249 10.598 ( 3.096 -0.715 -0.288) 3.191 10.618 ( 0.754 -0.515 0.842) 1.242 10.669 ( 0.666 -0.454 2.565) 2.689 10.819 ( -0.198 -0.261 -2.806) 2.825 10.949 ( 1.113 -0.630 2.207) 2.551 11.058 ( -4.421 1.209 4.299) 6.284 11.195 ( 3.343 -1.841 1.066) 3.962 11.297 ( -1.345 -2.039 -2.907) 3.797 11.499 ( 0.561 0.958 0.204) 1.129 11.553 ( -1.962 2.090 -2.337) 3.698 11.859 ( -4.323 1.628 2.832) 5.418 11.935 ( -6.841 -1.164 0.977) 7.008 12.191 ( 5.259 5.516 -2.286) 7.957 12.381 ( 4.868 -3.919 -0.894) 6.313 12.755 ( 3.477 -1.844 -0.077) 3.937 12.869 ( -1.380 1.724 1.074) 2.455 13.005 ( -2.547 1.391 -2.161) 3.619 13.109 ( -1.511 -1.791 -2.532) 3.449 13.144 ( -1.664 -1.095 -2.118) 2.908 13.358 ( -2.879 2.043 -0.911) 3.646 13.487 ( 0.677 2.936 1.912) 3.569 13.585 ( -5.480 -2.071 1.358) 6.014 13.643 ( 0.306 -0.290 -0.659) 0.782 13.743 ( 0.745 -3.228 6.907) 7.660 13.964 ( 3.321 -1.054 -2.211) 4.127 14.420 ( 2.141 2.951 -4.127) 5.507 ======================= Grid point 10 (7/88) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 6.778 -11.736 12.056) 18.139 1.410 ( 3.346 -7.986 19.203) 21.065 1.636 ( -7.260 1.579 5.324) 9.141 1.867 ( 9.161 2.008 -2.832) 9.797 1.939 ( 1.204 7.866 -7.875) 11.196 2.007 ( -1.049 -1.046 -8.956) 9.077 2.092 ( -0.935 2.554 0.237) 2.730 2.178 ( 5.048 -9.184 0.160) 10.481 2.205 ( 1.979 -2.944 -1.135) 3.725 2.374 ( 6.756 2.538 -4.416) 8.461 2.407 ( 0.887 3.227 -1.049) 3.507 2.473 ( 2.378 1.217 -3.995) 4.806 2.568 ( -0.631 -1.874 -1.517) 2.493 2.607 ( 0.395 -2.532 7.165) 7.609 2.624 ( -0.193 2.455 -3.496) 4.276 2.722 ( -2.681 -2.613 -1.637) 4.086 2.808 ( -4.663 -8.015 -9.666) 13.395 2.850 ( 0.811 -0.872 5.658) 5.782 2.892 ( -1.418 -0.773 -0.527) 1.699 2.975 ( -2.848 -0.293 -0.067) 2.864 3.069 ( -0.047 1.320 3.443) 3.688 3.178 ( -2.279 -2.473 -1.408) 3.646 3.271 ( 4.975 5.443 0.517) 7.392 3.299 ( 6.332 -0.082 -0.227) 6.336 3.368 ( 0.810 2.699 1.347) 3.123 3.439 ( -3.056 -0.374 0.005) 3.079 3.472 ( -0.519 -0.533 4.956) 5.011 3.518 ( 0.317 2.447 -2.290) 3.366 3.639 ( -1.577 -0.452 -0.539) 1.727 3.690 ( -0.813 2.173 1.557) 2.794 3.707 ( -2.372 4.949 0.569) 5.518 3.743 ( -1.809 -0.051 -1.583) 2.404 3.758 ( -1.248 -0.420 0.159) 1.326 3.839 ( -1.767 -1.570 0.719) 2.471 3.884 ( 4.665 -2.777 0.109) 5.430 3.962 ( 2.324 -1.505 0.933) 2.922 4.042 ( -4.547 2.821 0.284) 5.358 4.095 ( -0.718 -3.698 0.061) 3.768 4.165 ( 2.531 0.163 1.867) 3.149 4.299 ( 2.796 0.432 0.260) 2.842 4.334 ( -1.107 1.126 2.076) 2.608 4.383 ( -4.629 0.417 0.332) 4.659 4.490 ( -1.529 3.426 1.224) 3.946 4.509 ( -0.361 -0.882 -1.037) 1.409 4.625 ( -3.126 1.386 -0.156) 3.423 4.721 ( 2.216 4.997 2.121) 5.863 4.768 ( 0.508 1.173 -1.012) 1.630 4.852 ( 0.085 -3.379 -2.157) 4.010 4.887 ( 0.998 -0.337 5.756) 5.852 4.967 ( -0.573 -0.383 -1.280) 1.454 5.029 ( 1.923 0.130 -0.693) 2.048 5.086 ( -3.132 -2.770 0.737) 4.245 5.099 ( 0.545 2.776 -1.543) 3.223 5.232 ( -1.420 -0.727 -3.825) 4.144 5.290 ( -4.128 -4.010 0.612) 5.788 5.325 ( -0.092 -0.948 2.173) 2.373 5.393 ( -2.303 -1.700 -3.915) 4.850 5.539 ( -2.990 3.692 -7.113) 8.554 5.594 ( 4.566 -0.729 -1.399) 4.831 5.647 ( 5.930 1.397 3.146) 6.857 5.705 ( 3.686 3.354 -0.554) 5.014 5.731 ( 1.103 0.361 -0.409) 1.230 5.790 ( -0.341 2.127 1.991) 2.933 5.862 ( 0.895 2.768 4.858) 5.662 5.896 ( 0.050 4.296 2.882) 5.174 5.962 ( 1.754 5.134 2.033) 5.794 6.088 ( -1.644 6.108 -3.378) 7.171 6.164 ( -3.065 0.364 -2.189) 3.784 6.241 ( -1.541 1.880 -0.077) 2.432 6.271 ( 0.351 5.534 0.783) 5.600 6.401 ( 3.482 2.558 2.754) 5.123 6.542 ( -1.264 -0.360 -0.574) 1.434 6.675 ( -1.215 -6.516 -0.243) 6.633 6.824 ( 0.300 -4.416 0.405) 4.445 6.875 ( 1.082 -4.854 0.427) 4.991 7.023 ( -4.232 -8.881 -0.008) 9.837 7.174 ( 0.499 -0.146 -3.020) 3.064 7.308 ( 1.648 -2.269 1.106) 3.015 8.904 ( 0.067 -0.071 -1.012) 1.017 8.977 ( -0.649 -0.885 -1.565) 1.911 9.049 ( 0.178 1.114 1.544) 1.912 9.096 ( -0.270 -0.234 0.408) 0.542 10.627 ( 2.479 -0.236 -0.132) 2.493 10.638 ( 1.128 0.005 0.787) 1.376 10.700 ( 0.753 -0.043 2.267) 2.389 10.805 ( -0.169 -0.664 -1.645) 1.782 10.982 ( 0.860 -0.301 2.118) 2.305 11.029 ( -2.471 1.947 1.541) 3.503 11.264 ( 1.174 -2.118 -0.487) 2.470 11.293 ( -1.187 -2.986 -2.444) 4.038 11.462 ( -2.014 1.512 -1.602) 2.985 11.506 ( -0.514 1.300 -1.024) 1.733 11.828 ( -1.605 0.482 1.184) 2.052 11.939 ( -3.944 -2.725 3.413) 5.885 12.122 ( 3.708 5.896 -2.488) 7.396 12.448 ( 2.960 -0.581 1.386) 3.320 12.816 ( 2.448 -3.195 -2.005) 4.497 12.851 ( 0.724 0.104 0.252) 0.774 12.966 ( -2.793 -0.828 -0.644) 2.984 13.077 ( -2.507 0.065 -2.541) 3.571 13.148 ( 0.347 1.802 0.769) 1.990 13.304 ( -2.954 -0.526 -2.520) 3.918 13.448 ( -3.141 1.682 0.895) 3.673 13.552 ( -3.995 -1.665 -3.857) 5.797 13.667 ( 0.273 -1.358 1.529) 2.063 13.805 ( 3.807 3.198 4.500) 6.706 14.042 ( 2.859 -5.203 1.735) 6.185 14.361 ( 0.613 2.896 -2.400) 3.811 ======================= Grid point 11 (8/88) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -2.705 1.616 -1.747) 3.603 1.545 ( -2.876 -2.224 5.823) 6.865 1.652 ( -2.276 11.890 -2.872) 12.442 1.734 ( -0.672 -4.433 4.992) 6.710 1.785 ( 6.322 11.532 -2.156) 13.327 1.979 ( 0.066 -5.131 -3.351) 6.128 2.155 ( 1.061 -3.933 5.070) 6.504 2.274 ( 6.007 2.074 0.013) 6.355 2.290 ( 8.665 -2.829 -1.183) 9.192 2.366 ( 1.136 -1.688 8.984) 9.212 2.407 ( 4.085 -0.064 -1.820) 4.472 2.462 ( -1.808 -2.290 -3.716) 4.724 2.532 ( -1.054 2.178 -3.821) 4.523 2.591 ( -3.906 -1.255 1.339) 4.316 2.663 ( -2.709 1.645 -1.683) 3.588 2.706 ( 0.081 -2.860 -2.780) 3.989 2.852 ( -3.530 -4.006 -2.151) 5.756 2.886 ( -3.856 -1.534 0.188) 4.154 2.961 ( 0.298 -5.097 -2.592) 5.726 2.987 ( -2.107 -1.289 6.125) 6.604 3.098 ( -2.202 1.795 -0.759) 2.940 3.153 ( 5.306 4.381 -5.030) 8.523 3.217 ( -0.484 3.348 -0.007) 3.383 3.296 ( -0.526 2.760 3.307) 4.339 3.347 ( -0.296 -1.218 -0.581) 1.382 3.413 ( -3.498 5.746 1.868) 6.981 3.446 ( -0.215 0.990 -0.633) 1.194 3.519 ( 0.634 -2.171 2.726) 3.542 3.607 ( -0.025 0.415 -2.802) 2.832 3.616 ( 4.285 3.926 1.789) 6.080 3.670 ( -2.348 -2.368 -0.734) 3.415 3.713 ( 0.391 2.371 -0.119) 2.406 3.777 ( 0.778 -0.556 -0.426) 1.047 3.866 ( 1.729 -2.924 1.036) 3.551 3.945 ( 0.095 1.374 0.819) 1.603 3.970 ( 0.295 -2.654 1.569) 3.097 4.086 ( 4.985 -0.037 2.910) 5.773 4.175 ( 2.633 -2.313 2.587) 4.356 4.229 ( -0.204 -6.238 -1.695) 6.467 4.274 ( -0.001 1.563 -0.977) 1.843 4.343 ( 2.738 1.374 0.401) 3.089 4.361 ( -1.178 -1.498 2.709) 3.312 4.439 ( -1.305 1.262 -0.669) 1.935 4.514 ( -1.114 -0.375 -0.311) 1.216 4.578 ( -1.874 -0.083 -0.519) 1.946 4.684 ( 1.359 3.839 1.705) 4.415 4.754 ( 0.227 0.124 -0.830) 0.870 4.844 ( -0.971 4.292 -5.159) 6.781 4.918 ( -0.861 -2.499 2.726) 3.797 4.972 ( -2.504 -1.433 -1.135) 3.100 5.035 ( 3.242 1.548 0.944) 3.715 5.050 ( -0.480 1.643 0.454) 1.771 5.111 ( -3.457 -3.023 0.369) 4.607 5.220 ( -3.183 -2.411 -2.340) 4.629 5.281 ( -2.603 2.227 -0.910) 3.544 5.325 ( -5.578 -1.020 -1.797) 5.948 5.351 ( -2.726 -0.002 -2.495) 3.695 5.485 ( 2.448 -2.130 2.012) 3.818 5.585 ( 1.986 -1.839 -7.192) 7.684 5.674 ( 1.153 1.061 0.166) 1.576 5.692 ( 2.780 4.182 1.286) 5.184 5.761 ( 2.461 -1.131 -1.435) 3.065 5.788 ( 3.079 2.030 2.965) 4.732 5.823 ( -2.154 5.866 4.747) 7.848 5.851 ( 2.170 5.423 1.966) 6.163 5.964 ( 1.985 -0.569 1.569) 2.594 6.013 ( -0.232 -1.199 -0.306) 1.259 6.137 ( -2.887 -1.474 -1.678) 3.650 6.177 ( -0.621 3.540 -1.416) 3.863 6.235 ( -0.568 1.351 1.795) 2.317 6.401 ( 1.291 1.712 -0.375) 2.177 6.543 ( 0.325 -0.775 -0.061) 0.842 6.722 ( -1.857 -2.412 -1.153) 3.256 6.888 ( 1.749 -1.717 1.134) 2.701 6.930 ( 0.227 -1.178 0.311) 1.239 7.105 ( -3.695 -5.890 1.497) 7.112 7.162 ( 1.571 -0.034 -3.001) 3.387 7.351 ( 1.442 -0.186 1.022) 1.777 8.904 ( -0.022 -0.499 -0.158) 0.524 8.977 ( -0.385 -1.127 -1.265) 1.738 9.049 ( 0.533 0.910 1.395) 1.748 9.095 ( -0.339 0.092 -0.215) 0.412 10.641 ( 0.720 0.701 0.176) 1.020 10.643 ( 1.437 0.720 -0.080) 1.609 10.703 ( -0.679 1.532 1.366) 2.162 10.821 ( 1.307 -1.299 0.363) 1.878 10.986 ( -1.029 1.744 0.009) 2.025 11.008 ( 0.679 -0.026 0.747) 1.010 11.245 ( -2.152 -0.503 -4.244) 4.785 11.295 ( -3.395 0.321 -1.913) 3.910 11.444 ( -0.420 -1.279 0.074) 1.348 11.491 ( 0.138 -0.411 -0.187) 0.472 11.840 ( 0.563 -0.958 2.003) 2.291 12.000 ( -0.950 -3.119 4.490) 5.549 12.058 ( 3.548 2.969 -2.628) 5.321 12.472 ( 2.380 1.736 1.479) 3.296 12.828 ( -0.571 -0.589 -0.644) 1.043 12.895 ( 1.113 -2.245 -0.050) 2.506 12.973 ( -0.910 -2.299 -0.656) 2.558 13.039 ( -2.781 1.450 -0.578) 3.189 13.088 ( -0.328 2.080 -2.465) 3.242 13.304 ( -1.465 -2.895 -1.264) 3.482 13.419 ( -3.253 -0.613 0.676) 3.379 13.512 ( -2.961 -1.121 -4.700) 5.667 13.712 ( 2.153 -1.703 1.800) 3.283 13.803 ( 2.190 3.665 2.811) 5.112 14.141 ( 3.287 -0.637 3.191) 4.625 14.314 ( -0.744 0.720 -1.353) 1.704 ======================= Grid point 12 (9/88) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -2.776 20.242 -10.529) 22.985 1.330 ( -1.078 25.070 -1.693) 25.150 1.584 ( -0.929 -0.816 -0.806) 1.476 1.800 ( 0.814 -7.420 3.758) 8.357 1.886 ( 3.430 -4.276 1.526) 5.690 2.036 ( -3.696 -6.116 0.604) 7.172 2.155 ( -2.919 25.847 -0.763) 26.023 2.268 ( -1.577 -2.233 8.513) 8.941 2.324 ( -1.475 10.591 -0.313) 10.698 2.382 ( -0.449 -0.393 -3.105) 3.161 2.429 ( 8.010 1.852 0.831) 8.263 2.476 ( 5.317 -6.868 -5.510) 10.286 2.553 ( -1.954 -3.865 7.034) 8.261 2.583 ( 4.952 1.180 -1.028) 5.193 2.613 ( -2.255 -3.805 1.571) 4.694 2.717 ( -2.626 -0.913 -0.458) 2.818 2.809 ( -8.534 0.126 0.826) 8.575 2.877 ( -0.687 -2.325 -1.657) 2.937 2.942 ( 0.143 -3.617 -0.834) 3.715 3.000 ( -5.023 -5.743 -2.814) 8.132 3.109 ( 2.652 3.540 -0.573) 4.461 3.130 ( 5.691 2.282 -2.097) 6.480 3.198 ( -0.690 -2.702 5.275) 5.967 3.316 ( 2.387 -1.182 -1.141) 2.898 3.332 ( -1.287 4.144 1.830) 4.709 3.401 ( -4.549 -4.703 0.828) 6.595 3.418 ( 2.326 1.283 -1.890) 3.260 3.545 ( -2.222 0.608 2.057) 3.089 3.604 ( 0.395 1.088 -1.262) 1.713 3.648 ( 1.090 -2.226 -2.449) 3.485 3.667 ( -0.426 -1.704 0.501) 1.827 3.716 ( 0.496 -4.244 -1.899) 4.676 3.800 ( 3.308 1.363 1.167) 3.763 3.878 ( -2.048 3.528 1.925) 4.511 3.952 ( 3.252 0.660 -0.044) 3.319 3.986 ( -1.558 2.557 2.194) 3.712 4.088 ( 3.833 1.851 0.434) 4.279 4.201 ( -2.436 -0.556 -4.234) 4.917 4.246 ( 1.963 3.880 2.237) 4.890 4.298 ( 1.598 1.460 1.216) 2.483 4.377 ( 8.089 -0.800 0.764) 8.165 4.433 ( 0.256 -1.711 0.826) 1.918 4.441 ( -2.259 -2.391 3.739) 4.980 4.497 ( -2.089 -1.543 -2.637) 3.701 4.574 ( -2.133 -4.216 -1.604) 4.989 4.704 ( 0.394 0.759 -0.603) 1.046 4.722 ( 1.400 3.337 -1.149) 3.797 4.774 ( 1.065 -5.449 -0.056) 5.552 4.902 ( -4.658 0.973 -1.553) 5.006 4.968 ( 2.326 2.590 3.523) 4.953 5.043 ( -1.686 0.384 2.647) 3.162 5.054 ( 2.289 -0.218 -3.887) 4.516 5.127 ( -4.268 -2.348 -1.467) 5.088 5.175 ( -3.206 -1.420 -2.432) 4.267 5.193 ( -4.788 -2.513 -3.790) 6.603 5.363 ( -0.079 -3.829 5.461) 6.670 5.375 ( 1.811 -1.175 1.583) 2.677 5.502 ( -0.215 -0.307 -4.719) 4.734 5.593 ( 3.608 1.824 -2.522) 4.765 5.639 ( -2.545 3.360 -0.273) 4.223 5.675 ( 0.904 -0.585 0.623) 1.244 5.751 ( -1.708 2.459 4.090) 5.069 5.770 ( 0.014 2.243 1.522) 2.711 5.801 ( 2.153 0.167 -3.246) 3.899 5.827 ( 0.588 0.519 1.162) 1.401 5.979 ( 1.503 1.460 1.752) 2.731 6.114 ( -0.898 -6.283 -1.571) 6.538 6.131 ( 0.608 -3.822 -0.867) 3.966 6.132 ( -0.759 0.243 0.880) 1.188 6.245 ( 0.845 0.172 4.071) 4.161 6.363 ( -0.774 0.852 -4.524) 4.668 6.566 ( 1.115 -0.968 0.518) 1.565 6.706 ( -1.067 1.854 -0.626) 2.229 6.908 ( 0.908 2.395 0.425) 2.596 6.926 ( 0.501 1.279 0.503) 1.463 7.149 ( 0.634 0.623 -0.914) 1.275 7.159 ( -0.922 -2.029 1.013) 2.449 7.343 ( -0.235 2.458 0.031) 2.470 8.915 ( -0.051 -0.830 0.356) 0.905 8.985 ( -0.093 -1.266 -0.812) 1.506 9.051 ( 0.580 0.746 1.142) 1.482 9.085 ( -0.326 0.328 -0.669) 0.813 10.623 ( -0.051 1.831 0.204) 1.843 10.640 ( 0.497 0.613 -0.450) 0.909 10.675 ( -0.529 2.383 0.598) 2.514 10.851 ( 0.851 -0.447 0.778) 1.237 10.955 ( -0.132 1.415 -0.147) 1.429 11.016 ( 0.480 -0.340 -0.747) 0.951 11.194 ( -0.608 2.096 -2.059) 3.000 11.243 ( -4.474 -1.111 -2.406) 5.200 11.453 ( -0.674 -0.320 -0.446) 0.869 11.527 ( 1.044 -3.527 0.983) 3.807 11.891 ( 1.487 -2.487 2.000) 3.521 12.010 ( 2.587 2.699 -0.444) 3.765 12.104 ( 0.388 -3.947 1.553) 4.259 12.461 ( 1.480 2.780 0.838) 3.259 12.835 ( -0.866 -1.154 0.744) 1.623 12.876 ( 0.489 6.516 0.229) 6.539 12.970 ( -0.812 -2.458 -1.278) 2.887 13.050 ( -1.345 -5.858 -0.270) 6.016 13.088 ( 0.351 -2.217 -1.651) 2.786 13.318 ( -1.861 -1.609 -1.005) 2.657 13.415 ( -1.860 -0.896 -0.385) 2.100 13.472 ( -1.616 -0.009 -2.001) 2.572 13.767 ( 7.197 0.316 -3.835) 8.161 13.788 ( -4.315 0.165 6.086) 7.463 14.133 ( 2.263 6.770 1.874) 7.380 14.326 ( -0.972 -3.057 0.142) 3.211 ======================= Grid point 13 (10/88) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 0.000 23.466 0.000) 23.466 0.913 ( 0.000 29.074 0.000) 29.074 1.500 ( 0.000 47.218 0.000) 47.218 1.586 ( -0.000 -0.777 -0.000) 0.777 1.905 ( -0.000 -3.438 -0.000) 3.438 1.973 ( -0.000 -3.705 -0.000) 3.705 2.119 ( -0.000 -6.218 -0.000) 6.218 2.275 ( 0.000 0.188 0.000) 0.188 2.321 ( 0.000 1.677 0.000) 1.677 2.331 ( -0.000 -2.176 -0.000) 2.176 2.442 ( 0.000 3.960 0.000) 3.960 2.555 ( -0.000 -0.607 -0.000) 0.607 2.622 ( -0.000 -7.852 -0.000) 7.852 2.626 ( 0.000 0.147 0.000) 0.147 2.671 ( -0.000 -3.259 -0.000) 3.259 2.718 ( -0.000 -2.556 -0.000) 2.556 2.804 ( -0.000 -0.689 -0.000) 0.689 2.871 ( 0.000 0.064 0.000) 0.064 3.012 ( -0.000 -2.632 -0.000) 2.632 3.051 ( -0.000 -3.241 -0.000) 3.241 3.093 ( -0.000 -5.054 -0.000) 5.054 3.122 ( 0.000 1.100 0.000) 1.100 3.265 ( 0.000 4.398 0.000) 4.398 3.291 ( -0.000 -1.497 -0.000) 1.497 3.325 ( -0.000 -0.094 -0.000) 0.094 3.417 ( -0.000 -3.305 -0.000) 3.305 3.431 ( -0.000 -2.101 -0.000) 2.101 3.530 ( 0.000 2.753 0.000) 2.753 3.576 ( 0.000 0.091 0.000) 0.091 3.663 ( -0.000 -1.943 -0.000) 1.943 3.702 ( -0.000 -2.676 -0.000) 2.676 3.756 ( 0.000 2.732 0.000) 2.732 3.763 ( 0.000 5.975 0.000) 5.975 3.834 ( -0.000 -1.709 -0.000) 1.709 3.891 ( 0.000 6.829 0.000) 6.829 4.004 ( -0.000 -3.420 -0.000) 3.420 4.073 ( 0.000 6.525 0.000) 6.525 4.173 ( -0.000 -1.645 -0.000) 1.645 4.203 ( 0.000 1.927 0.000) 1.927 4.272 ( 0.000 2.877 0.000) 2.877 4.402 ( 0.000 2.433 0.000) 2.433 4.444 ( 0.000 0.333 0.000) 0.333 4.486 ( -0.000 -2.111 -0.000) 2.111 4.493 ( -0.000 -3.439 -0.000) 3.439 4.634 ( 0.000 2.563 0.000) 2.563 4.673 ( -0.000 -5.098 -0.000) 5.098 4.738 ( -0.000 -1.782 -0.000) 1.782 4.849 ( 0.000 0.378 0.000) 0.378 4.911 ( -0.000 -2.520 -0.000) 2.520 4.959 ( -0.000 -1.964 -0.000) 1.964 5.022 ( 0.000 1.119 0.000) 1.119 5.028 ( 0.000 2.293 0.000) 2.293 5.104 ( -0.000 -1.296 -0.000) 1.296 5.198 ( -0.000 -4.745 -0.000) 4.745 5.280 ( -0.000 -8.708 -0.000) 8.708 5.399 ( 0.000 1.176 0.000) 1.176 5.454 ( 0.000 0.429 0.000) 0.429 5.477 ( -0.000 -3.997 -0.000) 3.997 5.529 ( 0.000 5.591 0.000) 5.591 5.583 ( 0.000 1.050 0.000) 1.050 5.684 ( 0.000 0.801 0.000) 0.801 5.727 ( 0.000 2.280 0.000) 2.280 5.778 ( -0.000 -1.762 -0.000) 1.762 5.802 ( -0.000 -2.262 -0.000) 2.262 5.853 ( -0.000 -2.082 -0.000) 2.082 5.958 ( 0.000 2.790 0.000) 2.790 6.127 ( -0.000 -1.613 -0.000) 1.613 6.153 ( -0.000 -4.302 -0.000) 4.302 6.259 ( -0.000 -2.798 -0.000) 2.798 6.303 ( -0.000 -5.011 -0.000) 5.011 6.322 ( -0.000 -2.596 -0.000) 2.596 6.588 ( -0.000 -1.025 -0.000) 1.025 6.643 ( 0.000 5.546 0.000) 5.546 6.848 ( 0.000 5.461 0.000) 5.461 6.903 ( 0.000 3.283 0.000) 3.283 7.141 ( 0.000 0.161 0.000) 0.161 7.163 ( 0.000 1.982 0.000) 1.982 7.284 ( 0.000 4.275 0.000) 4.275 8.930 ( -0.000 -0.831 -0.000) 0.831 9.001 ( -0.000 -1.391 -0.000) 1.391 9.049 ( 0.000 0.640 0.000) 0.640 9.073 ( 0.000 0.591 0.000) 0.591 10.592 ( 0.000 2.197 0.000) 2.197 10.633 ( 0.000 0.282 0.000) 0.282 10.640 ( 0.000 2.174 0.000) 2.174 10.858 ( 0.000 0.091 0.000) 0.091 10.936 ( 0.000 1.160 0.000) 1.160 11.021 ( -0.000 -0.709 -0.000) 0.709 11.149 ( 0.000 2.496 0.000) 2.496 11.236 ( -0.000 -2.041 -0.000) 2.041 11.447 ( 0.000 0.090 0.000) 0.090 11.611 ( -0.000 -5.537 -0.000) 5.537 11.960 ( -0.000 -3.971 -0.000) 3.971 11.976 ( 0.000 2.989 0.000) 2.989 12.148 ( -0.000 -0.786 -0.000) 0.786 12.436 ( 0.000 1.635 0.000) 1.635 12.777 ( 0.000 6.306 0.000) 6.306 12.854 ( -0.000 -1.285 -0.000) 1.285 13.020 ( -0.000 -4.109 -0.000) 4.109 13.107 ( -0.000 -1.998 -0.000) 1.998 13.145 ( -0.000 -6.717 -0.000) 6.717 13.311 ( 0.000 0.228 0.000) 0.228 13.401 ( 0.000 1.140 0.000) 1.140 13.461 ( -0.000 -0.102 -0.000) 0.102 13.753 ( 0.000 1.503 0.000) 1.503 13.825 ( -0.000 -1.922 -0.000) 1.922 14.037 ( 0.000 7.825 0.000) 7.825 14.362 ( -0.000 -1.998 -0.000) 1.998 ======================= Grid point 16 (11/88) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 10.363 -0.000 21.406) 23.782 1.270 ( 22.099 -0.000 13.436) 25.863 1.728 ( -9.077 0.000 8.272) 12.281 1.805 ( 6.515 -0.000 9.948) 11.891 1.824 ( 5.822 -0.000 -7.263) 9.308 1.871 ( 2.644 -0.000 -6.102) 6.650 2.002 ( -0.565 0.000 3.673) 3.716 2.231 ( 2.257 -0.000 -6.903) 7.263 2.235 ( 5.375 -0.000 -1.616) 5.613 2.412 ( -8.997 0.000 -5.149) 10.366 2.431 ( -1.052 0.000 -13.113) 13.156 2.516 ( -2.558 0.000 -7.712) 8.125 2.530 ( -4.164 0.000 1.922) 4.586 2.634 ( 3.810 -0.000 4.123) 5.614 2.680 ( 9.039 -0.000 -9.611) 13.194 2.714 ( -4.630 0.000 -1.772) 4.958 2.750 ( 5.190 -0.000 -2.686) 5.844 2.841 ( -5.107 0.000 -4.190) 6.606 2.868 ( 4.792 -0.000 6.459) 8.043 2.985 ( -9.421 0.000 1.392) 9.523 3.034 ( -6.728 0.000 -3.737) 7.696 3.319 ( 0.799 -0.000 3.140) 3.240 3.327 ( 3.195 -0.000 -3.638) 4.842 3.348 ( -2.752 0.000 4.806) 5.538 3.388 ( -3.484 0.000 -1.671) 3.864 3.404 ( 2.742 -0.000 2.351) 3.611 3.424 ( 4.265 -0.000 -3.164) 5.310 3.516 ( 0.394 -0.000 1.015) 1.089 3.583 ( 5.984 -0.000 -0.425) 6.000 3.636 ( -6.067 0.000 -3.439) 6.974 3.734 ( -2.511 0.000 4.145) 4.846 3.737 ( -0.752 0.000 -2.298) 2.418 3.749 ( 4.521 -0.000 2.129) 4.997 3.763 ( 2.827 -0.000 2.060) 3.498 3.888 ( -6.922 0.000 -4.505) 8.259 3.909 ( -2.958 0.000 5.133) 5.925 4.088 ( 0.472 -0.000 5.914) 5.933 4.170 ( -3.990 0.000 0.850) 4.080 4.248 ( -3.205 0.000 5.072) 5.999 4.329 ( 4.009 -0.000 -4.090) 5.727 4.340 ( 6.844 -0.000 4.817) 8.369 4.367 ( -3.674 0.000 2.515) 4.452 4.509 ( 2.462 -0.000 3.972) 4.673 4.615 ( -7.202 0.000 -1.992) 7.472 4.672 ( -2.037 0.000 -0.525) 2.104 4.678 ( 3.675 -0.000 -7.215) 8.097 4.786 ( 0.463 -0.000 -2.800) 2.838 4.832 ( -2.616 0.000 2.306) 3.487 4.891 ( 2.763 -0.000 7.602) 8.088 4.978 ( 0.207 -0.000 -0.546) 0.584 5.024 ( 2.902 -0.000 2.221) 3.655 5.055 ( -2.345 0.000 -2.387) 3.346 5.070 ( -0.818 0.000 -1.003) 1.294 5.201 ( -4.123 0.000 1.694) 4.458 5.223 ( -3.459 0.000 -7.870) 8.596 5.304 ( 1.217 -0.000 -0.954) 1.547 5.376 ( -0.755 0.000 -5.755) 5.804 5.556 ( 5.603 -0.000 1.194) 5.729 5.624 ( -3.176 0.000 -5.350) 6.222 5.675 ( 9.722 -0.000 7.176) 12.083 5.736 ( -0.130 0.000 -3.054) 3.057 5.796 ( 1.417 -0.000 -2.352) 2.745 5.837 ( -0.218 0.000 1.199) 1.218 5.909 ( 2.099 -0.000 6.235) 6.579 5.974 ( -2.302 0.000 5.524) 5.984 6.090 ( -2.146 0.000 -2.652) 3.412 6.219 ( 2.495 -0.000 5.768) 6.285 6.233 ( -4.363 0.000 -6.342) 7.698 6.334 ( 3.096 -0.000 -0.762) 3.189 6.390 ( 0.718 -0.000 -0.503) 0.877 6.452 ( -4.294 0.000 -4.016) 5.879 6.517 ( 0.745 -0.000 2.615) 2.719 6.577 ( 4.160 -0.000 2.503) 4.855 6.711 ( -0.723 0.000 -0.013) 0.724 6.722 ( -1.200 0.000 -1.476) 1.903 6.757 ( -4.199 0.000 2.381) 4.827 7.167 ( -3.185 0.000 -3.224) 4.532 7.264 ( 4.641 -0.000 2.045) 5.072 8.904 ( 0.146 -0.000 -1.725) 1.731 8.962 ( -0.737 0.000 -1.531) 1.699 9.079 ( -0.397 0.000 1.443) 1.497 9.081 ( -0.038 0.000 0.769) 0.770 10.628 ( 4.514 -0.000 0.462) 4.537 10.632 ( 1.494 -0.000 1.233) 1.937 10.696 ( 1.086 -0.000 3.326) 3.499 10.792 ( -0.611 0.000 -2.566) 2.638 10.980 ( 1.874 -0.000 3.412) 3.893 11.055 ( -4.489 0.000 3.025) 5.413 11.206 ( 2.106 -0.000 0.011) 2.106 11.244 ( -1.713 0.000 -3.203) 3.632 11.497 ( -2.114 0.000 -2.419) 3.213 11.532 ( -1.287 0.000 -2.576) 2.880 11.855 ( -5.069 0.000 -1.016) 5.170 11.876 ( -3.536 0.000 3.209) 4.775 12.287 ( 3.476 -0.000 0.087) 3.477 12.382 ( 7.117 -0.000 -0.184) 7.120 12.764 ( 4.147 -0.000 -2.728) 4.964 12.891 ( -3.131 0.000 4.176) 5.220 12.974 ( -2.328 0.000 -2.958) 3.764 13.060 ( -3.021 0.000 -0.755) 3.114 13.093 ( 0.155 -0.000 -3.117) 3.120 13.308 ( -3.959 0.000 -5.399) 6.695 13.486 ( -10.160 0.000 -1.732) 10.307 13.560 ( 2.054 -0.000 3.154) 3.764 13.712 ( 0.660 -0.000 5.934) 5.971 13.754 ( 4.167 -0.000 5.339) 6.773 13.966 ( 2.421 -0.000 -1.812) 3.024 14.419 ( 0.782 -0.000 -4.420) 4.489 ======================= Grid point 17 (12/88) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 9.812 1.306 13.715) 16.914 1.532 ( 8.150 -0.721 14.586) 16.724 1.653 ( -4.234 2.637 3.972) 6.376 1.825 ( 4.167 -2.423 -6.722) 8.271 1.887 ( 2.055 -7.136 -6.043) 9.574 2.035 ( 4.239 -4.903 -2.721) 7.029 2.066 ( 6.412 -3.203 1.038) 7.243 2.095 ( -5.048 3.087 0.015) 5.917 2.202 ( -0.165 1.603 -6.070) 6.280 2.353 ( -2.574 -2.955 -2.414) 4.602 2.420 ( -2.983 -4.417 1.853) 5.643 2.458 ( -5.122 -3.635 -3.742) 7.311 2.519 ( -2.160 -0.967 -0.657) 2.456 2.609 ( 2.449 5.810 -5.992) 8.698 2.639 ( -3.269 0.929 -1.810) 3.850 2.667 ( 4.312 0.551 -6.156) 7.536 2.743 ( -2.539 3.082 3.091) 5.050 2.812 ( -1.513 0.209 -2.790) 3.181 2.898 ( 2.000 0.889 1.321) 2.556 2.986 ( 4.602 -1.625 3.277) 5.878 3.056 ( -3.807 -6.127 -0.365) 7.222 3.166 ( -1.183 8.703 1.864) 8.978 3.324 ( 2.190 0.481 -0.886) 2.411 3.381 ( 1.432 -0.192 -3.131) 3.448 3.413 ( 3.791 3.122 1.276) 5.074 3.442 ( 0.971 0.758 4.299) 4.472 3.492 ( 0.283 -5.177 -2.286) 5.667 3.505 ( -0.648 0.069 1.618) 1.745 3.592 ( -2.708 -2.102 0.823) 3.526 3.672 ( 0.020 -4.508 -0.570) 4.544 3.714 ( 0.806 -2.833 0.469) 2.983 3.748 ( 1.152 1.204 -0.843) 1.868 3.758 ( -2.146 2.445 -0.202) 3.260 3.819 ( 2.037 -0.383 6.273) 6.607 3.844 ( -0.997 -3.235 -0.279) 3.396 3.982 ( 2.667 -3.218 4.739) 6.318 4.048 ( -6.766 5.803 -0.944) 8.963 4.121 ( 0.739 4.842 1.162) 5.034 4.242 ( 1.971 3.065 -1.782) 4.057 4.276 ( -1.519 -1.654 0.076) 2.247 4.359 ( 0.308 4.576 0.630) 4.629 4.435 ( -2.397 3.643 1.647) 4.662 4.482 ( -1.697 -1.609 2.181) 3.198 4.552 ( 2.863 1.616 3.250) 4.623 4.637 ( -1.025 1.641 0.414) 1.979 4.732 ( -0.804 -5.592 -5.206) 7.682 4.764 ( -0.510 -0.215 -2.583) 2.642 4.811 ( -1.846 0.017 -1.451) 2.348 4.932 ( 0.779 3.326 3.712) 5.045 4.989 ( 0.733 2.006 -0.298) 2.156 5.006 ( -1.363 -1.035 4.518) 4.831 5.073 ( 2.947 0.297 -0.860) 3.085 5.106 ( -1.147 -1.438 -0.349) 1.872 5.147 ( -2.049 -3.844 -5.152) 6.747 5.188 ( -5.220 -1.447 1.729) 5.686 5.333 ( 0.249 -1.316 -4.308) 4.512 5.347 ( 1.993 -1.071 3.387) 4.073 5.514 ( -4.229 3.910 -6.181) 8.449 5.602 ( 1.565 -0.073 -0.329) 1.601 5.697 ( -0.794 0.693 -2.726) 2.923 5.753 ( 1.454 1.801 -4.412) 4.983 5.809 ( 7.375 0.912 5.124) 9.027 5.833 ( 1.974 1.340 1.697) 2.928 5.946 ( 1.672 3.349 4.394) 5.773 5.971 ( -1.676 3.154 4.895) 6.060 6.031 ( -1.813 1.131 -2.598) 3.364 6.120 ( 0.105 5.722 -3.674) 6.801 6.215 ( -0.039 8.522 0.439) 8.533 6.266 ( -1.398 1.735 0.887) 2.398 6.400 ( 1.921 4.626 2.013) 5.399 6.433 ( -0.581 -0.882 -2.165) 2.408 6.536 ( -1.058 0.623 0.842) 1.488 6.566 ( -1.069 -2.985 -0.147) 3.174 6.743 ( 0.704 -6.365 -0.233) 6.408 6.806 ( -0.509 -5.689 1.147) 5.826 6.841 ( -1.348 -10.205 -0.063) 10.294 7.132 ( -2.188 -1.185 -2.106) 3.260 7.327 ( 4.537 -0.658 2.053) 5.022 8.894 ( 0.081 -0.142 -1.128) 1.140 8.950 ( -0.592 -0.545 -1.149) 1.403 9.075 ( 0.046 0.791 1.038) 1.306 9.092 ( -0.344 -0.320 0.439) 0.643 10.651 ( 1.997 0.331 0.558) 2.099 10.667 ( 3.462 0.537 0.836) 3.602 10.731 ( 0.885 0.274 3.096) 3.231 10.778 ( -0.143 -1.082 -1.191) 1.615 11.014 ( 0.856 0.971 3.017) 3.283 11.040 ( -2.086 0.695 1.449) 2.633 11.212 ( -2.051 -0.875 -3.340) 4.016 11.245 ( 1.700 -3.165 0.033) 3.593 11.428 ( -5.003 0.463 -4.435) 6.702 11.504 ( -0.602 0.530 -1.571) 1.764 11.828 ( -1.313 -0.163 1.026) 1.675 11.888 ( -2.571 -2.265 1.751) 3.848 12.248 ( 3.519 7.112 -0.149) 7.936 12.467 ( 4.025 -2.498 1.417) 4.945 12.783 ( 2.436 -1.618 -2.754) 4.018 12.879 ( -0.104 1.968 1.621) 2.552 12.926 ( -2.670 0.351 -1.623) 3.144 13.034 ( -3.311 -0.488 -0.095) 3.348 13.134 ( 1.745 -4.677 -0.588) 5.026 13.238 ( -3.662 -0.169 -5.387) 6.516 13.378 ( -9.224 0.350 -2.750) 9.632 13.584 ( 1.755 2.786 2.350) 4.045 13.692 ( 1.167 3.094 2.512) 4.153 13.886 ( 2.345 -1.278 5.265) 5.904 13.995 ( 2.467 -4.689 -0.110) 5.300 14.379 ( 0.122 1.666 -3.015) 3.447 ======================= Grid point 18 (13/88) ======================= q-point: ( 0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 1.633 0.228 4.670) 4.953 1.577 ( -1.437 1.802 3.976) 4.596 1.733 ( 2.678 -0.839 4.044) 4.923 1.780 ( -1.204 11.374 -5.193) 12.561 1.874 ( 1.560 -4.403 -1.250) 4.835 1.930 ( -1.342 4.498 -2.500) 5.318 2.156 ( 4.717 -4.082 2.692) 6.794 2.247 ( 1.293 -8.519 2.454) 8.959 2.287 ( 7.265 -6.195 2.138) 9.784 2.359 ( -2.014 -3.900 -5.803) 7.276 2.415 ( -3.577 -2.771 -3.583) 5.771 2.473 ( 0.436 3.544 0.728) 3.645 2.527 ( 1.555 -1.055 3.382) 3.869 2.537 ( -1.554 0.550 -0.740) 1.807 2.618 ( -6.072 -5.647 1.280) 8.390 2.677 ( 6.905 0.991 -3.522) 7.815 2.726 ( -1.152 -3.660 0.014) 3.837 2.781 ( -1.919 -3.408 -6.449) 7.543 2.899 ( -8.016 1.952 -1.552) 8.395 2.957 ( 1.741 -1.729 1.413) 2.831 3.129 ( -0.364 1.025 3.926) 4.074 3.174 ( 4.394 -4.505 -0.860) 6.352 3.289 ( -1.792 3.093 -2.020) 4.106 3.332 ( 1.339 6.087 -0.883) 6.295 3.395 ( 0.353 6.951 -0.377) 6.970 3.439 ( -1.462 1.132 0.332) 1.879 3.514 ( -0.980 -1.156 4.482) 4.731 3.541 ( 3.111 -1.831 -1.131) 3.783 3.624 ( 1.693 3.469 5.019) 6.331 3.669 ( -1.449 3.426 -0.877) 3.822 3.718 ( 2.037 6.129 -0.865) 6.516 3.745 ( 1.870 -4.139 0.075) 4.542 3.779 ( -2.375 2.613 1.014) 3.674 3.843 ( 0.846 -2.135 3.892) 4.519 3.906 ( -0.205 -5.266 -0.202) 5.274 3.954 ( -0.823 2.957 -0.248) 3.080 4.041 ( -2.193 -8.567 -4.805) 10.064 4.099 ( 0.840 -2.821 0.945) 3.091 4.219 ( 2.367 2.506 1.347) 3.701 4.274 ( -0.434 2.183 -1.922) 2.941 4.317 ( 0.129 -3.487 0.594) 3.540 4.421 ( -0.430 1.497 4.638) 4.893 4.520 ( 2.468 0.094 2.664) 3.632 4.541 ( 2.344 4.244 1.819) 5.178 4.603 ( 1.076 3.390 1.142) 3.735 4.730 ( -4.629 0.343 -3.112) 5.588 4.751 ( 0.167 -0.538 -1.238) 1.360 4.818 ( -0.716 -4.141 -1.738) 4.547 4.852 ( -3.203 3.360 -4.943) 6.781 4.976 ( 1.156 2.580 1.328) 3.124 5.035 ( -2.449 -1.710 1.184) 3.213 5.076 ( -2.032 -1.099 -0.953) 2.499 5.080 ( 1.669 1.934 0.469) 2.598 5.178 ( 0.328 1.439 1.867) 2.380 5.206 ( -2.515 -4.194 -0.856) 4.965 5.305 ( -1.926 2.865 -1.847) 3.915 5.358 ( -2.409 1.764 -0.142) 2.989 5.466 ( 2.726 -5.351 1.250) 6.134 5.554 ( -0.562 2.873 -4.708) 5.544 5.670 ( -0.608 0.093 -0.951) 1.132 5.739 ( 1.043 -0.936 -1.074) 1.765 5.810 ( -0.546 1.841 1.486) 2.428 5.879 ( 8.464 5.979 -0.215) 10.365 5.938 ( -1.100 4.758 4.634) 6.732 5.951 ( 0.440 1.158 3.341) 3.563 5.971 ( -0.303 2.800 -0.887) 2.953 6.017 ( -0.361 3.393 -2.941) 4.505 6.112 ( -0.280 3.334 -0.680) 3.415 6.251 ( -1.163 1.955 2.913) 3.696 6.304 ( 0.721 8.206 0.837) 8.280 6.404 ( -0.758 1.333 -2.811) 3.203 6.538 ( 0.139 -0.811 0.516) 0.971 6.637 ( -1.253 -5.915 -0.514) 6.068 6.856 ( 1.338 -6.164 0.620) 6.338 6.889 ( -0.252 -4.374 0.156) 4.384 6.965 ( -1.886 -8.781 -0.195) 8.984 7.134 ( -0.376 -1.878 -1.227) 2.275 7.375 ( 2.263 0.006 1.166) 2.546 8.894 ( 0.011 -0.512 -0.384) 0.640 8.951 ( -0.282 -0.945 -0.643) 1.177 9.073 ( 0.366 0.669 0.859) 1.149 9.091 ( -0.428 0.095 -0.159) 0.466 10.657 ( 0.913 0.683 -0.183) 1.154 10.676 ( 1.575 1.607 0.442) 2.293 10.735 ( -0.383 1.369 1.384) 1.984 10.812 ( 1.467 -2.038 0.696) 2.606 11.003 ( -0.996 1.465 0.250) 1.789 11.029 ( 0.297 1.405 1.006) 1.754 11.186 ( -1.437 -0.796 -2.474) 2.970 11.268 ( -1.745 0.416 -1.776) 2.524 11.404 ( -0.896 -3.573 -0.585) 3.730 11.484 ( -0.315 0.241 -0.645) 0.757 11.841 ( 0.034 -0.846 1.142) 1.422 11.939 ( -0.988 -5.191 1.381) 5.461 12.159 ( 2.135 7.255 -0.244) 7.566 12.523 ( 2.195 0.194 1.467) 2.647 12.799 ( -0.113 -1.517 -1.579) 2.193 12.874 ( 0.711 -0.435 0.114) 0.841 12.917 ( -1.191 -2.333 -0.745) 2.724 13.027 ( -0.936 -0.855 0.646) 1.423 13.133 ( -1.197 5.639 -2.510) 6.287 13.223 ( -0.593 -4.644 -0.862) 4.760 13.321 ( -5.192 -4.038 -2.153) 6.920 13.539 ( 0.844 4.864 0.577) 4.970 13.710 ( 0.895 -1.624 1.291) 2.259 13.886 ( 0.900 3.820 1.125) 4.083 14.133 ( 2.386 -7.048 2.672) 7.906 14.326 ( -0.468 2.931 -1.806) 3.474 ======================= Grid point 19 (14/88) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 0.000 15.057 0.000) 15.057 1.576 ( -0.000 -0.020 -0.000) 0.020 1.624 ( 0.000 14.737 0.000) 14.737 1.709 ( -0.000 -3.173 -0.000) 3.173 1.910 ( 0.000 0.756 0.000) 0.756 1.915 ( -0.000 -5.609 -0.000) 5.609 2.262 ( -0.000 -3.211 -0.000) 3.211 2.354 ( -0.000 -1.601 -0.000) 1.601 2.371 ( -0.000 -3.120 -0.000) 3.120 2.373 ( -0.000 -0.304 -0.000) 0.304 2.436 ( 0.000 0.995 0.000) 0.995 2.451 ( -0.000 -0.782 -0.000) 0.782 2.546 ( -0.000 -2.849 -0.000) 2.849 2.548 ( 0.000 0.103 0.000) 0.103 2.666 ( 0.000 1.775 0.000) 1.775 2.673 ( -0.000 -3.218 -0.000) 3.218 2.797 ( -0.000 -6.034 -0.000) 6.034 2.807 ( 0.000 3.726 0.000) 3.726 2.845 ( -0.000 -8.290 -0.000) 8.290 3.016 ( 0.000 14.681 0.000) 14.681 3.093 ( -0.000 -8.450 -0.000) 8.450 3.191 ( 0.000 2.743 0.000) 2.743 3.206 ( 0.000 4.607 0.000) 4.607 3.271 ( 0.000 1.674 0.000) 1.674 3.285 ( -0.000 -3.656 -0.000) 3.656 3.406 ( 0.000 3.178 0.000) 3.178 3.522 ( 0.000 4.075 0.000) 4.075 3.577 ( 0.000 4.120 0.000) 4.120 3.608 ( -0.000 -2.973 -0.000) 2.973 3.638 ( -0.000 -1.237 -0.000) 1.237 3.667 ( 0.000 5.371 0.000) 5.371 3.672 ( 0.000 1.735 0.000) 1.735 3.818 ( -0.000 -2.328 -0.000) 2.328 3.893 ( -0.000 -0.396 -0.000) 0.396 3.966 ( -0.000 -1.354 -0.000) 1.354 3.972 ( -0.000 -5.907 -0.000) 5.907 4.120 ( -0.000 -1.607 -0.000) 1.607 4.162 ( 0.000 3.821 0.000) 3.821 4.219 ( -0.000 -11.549 -0.000) 11.549 4.281 ( -0.000 -2.088 -0.000) 2.088 4.381 ( -0.000 -4.030 -0.000) 4.030 4.395 ( 0.000 2.972 0.000) 2.972 4.512 ( 0.000 0.891 0.000) 0.891 4.544 ( 0.000 5.826 0.000) 5.826 4.557 ( 0.000 6.412 0.000) 6.412 4.693 ( -0.000 -4.354 -0.000) 4.354 4.749 ( 0.000 3.978 0.000) 3.978 4.751 ( -0.000 -0.016 -0.000) 0.016 4.847 ( -0.000 -1.764 -0.000) 1.764 4.992 ( -0.000 -3.113 -0.000) 3.113 5.025 ( 0.000 0.948 0.000) 0.948 5.071 ( 0.000 0.502 0.000) 0.502 5.087 ( -0.000 -0.780 -0.000) 0.780 5.112 ( 0.000 2.855 0.000) 2.855 5.215 ( 0.000 4.064 0.000) 4.064 5.272 ( -0.000 -5.438 -0.000) 5.438 5.401 ( -0.000 -3.173 -0.000) 3.173 5.483 ( 0.000 2.563 0.000) 2.563 5.569 ( -0.000 -4.850 -0.000) 4.850 5.668 ( -0.000 -0.469 -0.000) 0.469 5.727 ( 0.000 4.551 0.000) 4.551 5.790 ( 0.000 1.677 0.000) 1.677 5.817 ( 0.000 4.636 0.000) 4.636 5.836 ( 0.000 5.465 0.000) 5.465 5.888 ( 0.000 5.658 0.000) 5.658 6.001 ( -0.000 -0.496 -0.000) 0.496 6.022 ( -0.000 -4.858 -0.000) 4.858 6.091 ( -0.000 -0.659 -0.000) 0.659 6.182 ( 0.000 5.819 0.000) 5.819 6.274 ( -0.000 -0.543 -0.000) 0.543 6.351 ( 0.000 2.506 0.000) 2.506 6.558 ( -0.000 -1.173 -0.000) 1.173 6.694 ( -0.000 -2.453 -0.000) 2.453 6.925 ( -0.000 -1.414 -0.000) 1.414 6.926 ( -0.000 -1.299 -0.000) 1.299 7.081 ( -0.000 -7.483 -0.000) 7.483 7.148 ( -0.000 -0.624 -0.000) 0.624 7.377 ( 0.000 1.493 0.000) 1.493 8.903 ( -0.000 -0.838 -0.000) 0.838 8.963 ( -0.000 -1.149 -0.000) 1.149 9.070 ( 0.000 0.697 0.000) 0.697 9.084 ( 0.000 0.249 0.000) 0.249 10.648 ( 0.000 0.723 0.000) 0.723 10.656 ( 0.000 1.997 0.000) 1.997 10.712 ( 0.000 2.170 0.000) 2.170 10.848 ( -0.000 -1.232 -0.000) 1.232 10.977 ( 0.000 1.555 0.000) 1.555 11.016 ( 0.000 0.623 0.000) 0.623 11.183 ( -0.000 -1.199 -0.000) 1.199 11.229 ( 0.000 2.053 0.000) 2.053 11.440 ( -0.000 -1.336 -0.000) 1.336 11.490 ( -0.000 -1.743 -0.000) 1.743 11.867 ( -0.000 -1.992 -0.000) 1.992 12.033 ( -0.000 -6.232 -0.000) 6.232 12.076 ( 0.000 4.862 0.000) 4.862 12.516 ( 0.000 2.593 0.000) 2.593 12.814 ( -0.000 -1.470 -0.000) 1.470 12.901 ( -0.000 -2.610 -0.000) 2.610 12.960 ( -0.000 -4.458 -0.000) 4.458 13.007 ( 0.000 7.757 0.000) 7.757 13.054 ( -0.000 -1.927 -0.000) 1.927 13.269 ( -0.000 -2.930 -0.000) 2.930 13.362 ( -0.000 -4.047 -0.000) 4.047 13.487 ( 0.000 2.619 0.000) 2.619 13.753 ( -0.000 -2.576 -0.000) 2.576 13.834 ( 0.000 3.861 0.000) 3.861 14.248 ( 0.000 5.581 0.000) 5.581 14.255 ( -0.000 -5.524 -0.000) 5.524 ======================= Grid point 24 (15/88) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 5.577 -0.000 11.048) 12.376 1.653 ( 2.884 -0.000 4.798) 5.598 1.729 ( 2.084 -0.000 -1.351) 2.484 1.735 ( 3.699 -0.000 -2.245) 4.326 1.918 ( 15.528 -0.000 1.898) 15.644 1.924 ( -4.303 0.000 0.266) 4.311 2.078 ( -6.465 0.000 -1.805) 6.712 2.117 ( -1.934 0.000 -11.481) 11.642 2.118 ( 1.717 -0.000 3.001) 3.457 2.203 ( -8.795 0.000 -2.712) 9.204 2.372 ( -1.841 0.000 0.455) 1.896 2.458 ( 5.594 -0.000 4.260) 7.032 2.503 ( -3.353 0.000 3.738) 5.021 2.556 ( -7.177 0.000 -8.461) 11.095 2.626 ( -1.201 0.000 -3.237) 3.453 2.642 ( -1.693 0.000 -7.717) 7.900 2.692 ( 1.056 -0.000 -2.268) 2.502 2.853 ( -8.550 0.000 4.295) 9.568 2.954 ( 6.199 -0.000 0.772) 6.247 3.021 ( 7.601 -0.000 -0.233) 7.604 3.043 ( 2.902 -0.000 4.348) 5.228 3.285 ( -4.869 0.000 -1.834) 5.202 3.330 ( 1.945 -0.000 -0.160) 1.951 3.353 ( 1.506 -0.000 -1.862) 2.395 3.354 ( 0.327 -0.000 0.189) 0.377 3.463 ( 1.942 -0.000 3.238) 3.776 3.491 ( -2.510 0.000 -1.141) 2.757 3.528 ( 1.060 -0.000 -0.233) 1.085 3.596 ( 1.161 -0.000 2.070) 2.373 3.623 ( 2.560 -0.000 2.571) 3.629 3.667 ( -1.914 0.000 -1.655) 2.530 3.730 ( -4.198 0.000 -2.354) 4.813 3.747 ( 2.376 -0.000 -1.886) 3.033 3.850 ( 1.834 -0.000 1.940) 2.670 3.952 ( 4.962 -0.000 11.278) 12.322 3.997 ( 1.927 -0.000 3.889) 4.340 4.048 ( -4.900 0.000 -1.073) 5.016 4.184 ( 1.060 -0.000 0.545) 1.192 4.228 ( -0.283 0.000 -2.811) 2.825 4.255 ( -0.025 0.000 -0.891) 0.891 4.367 ( -8.808 0.000 -5.653) 10.467 4.498 ( 4.198 -0.000 3.998) 5.797 4.505 ( -0.234 0.000 -2.400) 2.411 4.542 ( -0.508 0.000 3.956) 3.989 4.647 ( -2.350 0.000 -1.141) 2.613 4.653 ( 3.347 -0.000 0.821) 3.447 4.746 ( -0.834 0.000 -1.669) 1.866 4.764 ( -3.420 0.000 -1.745) 3.840 4.981 ( -4.067 0.000 -6.147) 7.370 4.986 ( -0.322 0.000 1.023) 1.072 4.991 ( -0.875 0.000 -0.193) 0.896 5.098 ( 4.307 -0.000 -1.411) 4.533 5.102 ( 1.473 -0.000 4.260) 4.508 5.137 ( 3.829 -0.000 4.191) 5.677 5.157 ( -5.224 0.000 2.150) 5.649 5.297 ( 2.579 -0.000 -2.291) 3.450 5.379 ( 1.894 -0.000 2.513) 3.147 5.466 ( -5.993 0.000 -4.320) 7.388 5.621 ( 1.441 -0.000 0.458) 1.512 5.674 ( -0.572 0.000 -2.074) 2.152 5.699 ( -3.194 0.000 -5.772) 6.597 5.854 ( 0.332 -0.000 0.445) 0.556 5.924 ( 7.108 -0.000 3.099) 7.754 5.996 ( 0.010 -0.000 -1.751) 1.751 6.026 ( -1.467 0.000 3.161) 3.485 6.036 ( 1.676 -0.000 4.151) 4.477 6.169 ( 1.281 -0.000 -1.980) 2.358 6.267 ( -2.198 0.000 0.958) 2.397 6.329 ( -3.063 0.000 -2.357) 3.865 6.340 ( 1.439 -0.000 -1.388) 2.000 6.414 ( 1.400 -0.000 0.459) 1.473 6.508 ( -2.952 0.000 -0.020) 2.952 6.656 ( 1.788 -0.000 1.153) 2.128 6.673 ( -1.718 0.000 -0.174) 1.727 6.737 ( 1.321 -0.000 0.784) 1.536 6.756 ( -0.147 0.000 0.496) 0.517 7.092 ( -1.651 0.000 -1.008) 1.934 7.373 ( 3.451 -0.000 1.427) 3.735 8.887 ( 0.052 -0.000 -0.674) 0.676 8.936 ( -0.352 0.000 -0.600) 0.695 9.087 ( -0.068 0.000 0.198) 0.209 9.090 ( -0.161 0.000 0.553) 0.576 10.671 ( 1.140 -0.000 0.290) 1.177 10.709 ( 3.076 -0.000 0.581) 3.131 10.757 ( -0.612 0.000 -0.266) 0.667 10.766 ( 0.959 -0.000 2.389) 2.574 11.028 ( -1.726 0.000 0.558) 1.814 11.079 ( 2.425 -0.000 3.304) 4.099 11.180 ( 0.084 -0.000 -0.583) 0.589 11.222 ( 0.606 -0.000 -0.432) 0.744 11.333 ( -6.713 0.000 -6.139) 9.097 11.493 ( -0.302 0.000 -0.959) 1.005 11.823 ( -0.420 0.000 0.709) 0.824 11.869 ( -0.993 0.000 0.817) 1.286 12.339 ( 1.868 -0.000 0.181) 1.877 12.475 ( 2.678 -0.000 0.845) 2.808 12.767 ( 1.499 -0.000 -2.190) 2.654 12.886 ( -1.651 0.000 0.370) 1.692 12.934 ( -0.552 0.000 0.613) 0.825 13.013 ( -2.271 0.000 1.245) 2.590 13.084 ( 1.051 -0.000 -1.071) 1.501 13.176 ( -0.770 0.000 -4.159) 4.230 13.300 ( -6.371 0.000 -2.042) 6.690 13.626 ( 1.038 -0.000 1.444) 1.778 13.794 ( 0.387 -0.000 2.790) 2.817 13.886 ( 2.248 -0.000 3.589) 4.235 13.970 ( 0.650 -0.000 -1.408) 1.551 14.370 ( -0.115 0.000 -1.928) 1.931 ======================= Grid point 25 (16/88) ======================= q-point: ( 0.57 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 0.000 5.570 0.000) 5.570 1.644 ( 0.000 6.823 0.000) 6.823 1.741 ( -0.000 -3.883 -0.000) 3.883 1.834 ( -0.000 -3.427 -0.000) 3.427 1.892 ( 0.000 2.707 0.000) 2.707 1.954 ( 0.000 5.922 0.000) 5.922 2.084 ( -0.000 -10.885 -0.000) 10.885 2.152 ( -0.000 -4.673 -0.000) 4.673 2.187 ( -0.000 -4.329 -0.000) 4.329 2.216 ( -0.000 -11.262 -0.000) 11.262 2.382 ( -0.000 -0.062 -0.000) 0.062 2.454 ( 0.000 0.054 0.000) 0.054 2.502 ( -0.000 -2.826 -0.000) 2.826 2.567 ( -0.000 -0.423 -0.000) 0.423 2.576 ( 0.000 1.620 0.000) 1.620 2.622 ( -0.000 -4.577 -0.000) 4.577 2.689 ( 0.000 0.111 0.000) 0.111 2.828 ( -0.000 -0.277 -0.000) 0.277 2.874 ( 0.000 10.283 0.000) 10.283 3.043 ( 0.000 5.523 0.000) 5.523 3.110 ( -0.000 -4.876 -0.000) 4.876 3.173 ( 0.000 3.834 0.000) 3.834 3.328 ( 0.000 3.049 0.000) 3.049 3.402 ( 0.000 1.121 0.000) 1.121 3.403 ( -0.000 -4.953 -0.000) 4.953 3.450 ( -0.000 -0.208 -0.000) 0.208 3.502 ( -0.000 -0.699 -0.000) 0.699 3.511 ( -0.000 -0.206 -0.000) 0.206 3.643 ( -0.000 -3.892 -0.000) 3.892 3.667 ( -0.000 -3.574 -0.000) 3.574 3.689 ( 0.000 1.469 0.000) 1.469 3.754 ( -0.000 -8.658 -0.000) 8.658 3.776 ( -0.000 -2.591 -0.000) 2.591 3.858 ( 0.000 0.467 0.000) 0.467 3.945 ( 0.000 5.224 0.000) 5.224 3.947 ( 0.000 7.459 0.000) 7.459 4.072 ( 0.000 11.789 0.000) 11.789 4.083 ( -0.000 -1.803 -0.000) 1.803 4.247 ( -0.000 -2.436 -0.000) 2.436 4.272 ( -0.000 -2.678 -0.000) 2.678 4.288 ( 0.000 2.061 0.000) 2.061 4.461 ( 0.000 0.595 0.000) 0.595 4.561 ( 0.000 1.216 0.000) 1.216 4.590 ( 0.000 1.472 0.000) 1.472 4.592 ( -0.000 -3.768 -0.000) 3.768 4.694 ( 0.000 2.965 0.000) 2.965 4.736 ( -0.000 -5.439 -0.000) 5.439 4.753 ( 0.000 0.177 0.000) 0.177 4.891 ( 0.000 5.038 0.000) 5.038 4.994 ( -0.000 -0.918 -0.000) 0.918 5.007 ( -0.000 -1.911 -0.000) 1.911 5.083 ( 0.000 3.383 0.000) 3.383 5.113 ( 0.000 1.081 0.000) 1.081 5.146 ( -0.000 -1.445 -0.000) 1.445 5.220 ( -0.000 -4.034 -0.000) 4.034 5.309 ( 0.000 1.807 0.000) 1.807 5.373 ( 0.000 3.854 0.000) 3.854 5.422 ( -0.000 -3.208 -0.000) 3.208 5.579 ( 0.000 3.920 0.000) 3.920 5.663 ( 0.000 0.039 0.000) 0.039 5.702 ( -0.000 -3.253 -0.000) 3.253 5.841 ( 0.000 1.895 0.000) 1.895 5.961 ( 0.000 0.351 0.000) 0.351 5.985 ( 0.000 1.381 0.000) 1.381 6.010 ( 0.000 2.099 0.000) 2.099 6.023 ( 0.000 4.777 0.000) 4.777 6.089 ( 0.000 7.406 0.000) 7.406 6.199 ( 0.000 7.847 0.000) 7.847 6.265 ( 0.000 0.015 0.000) 0.015 6.398 ( -0.000 -1.284 -0.000) 1.284 6.442 ( 0.000 4.790 0.000) 4.790 6.520 ( -0.000 -2.080 -0.000) 2.080 6.551 ( -0.000 -0.723 -0.000) 0.723 6.748 ( -0.000 -5.498 -0.000) 5.498 6.804 ( -0.000 -7.550 -0.000) 7.550 6.846 ( -0.000 -7.032 -0.000) 7.032 7.095 ( -0.000 -1.843 -0.000) 1.843 7.393 ( 0.000 0.133 0.000) 0.133 8.886 ( -0.000 -0.270 -0.000) 0.270 8.936 ( -0.000 -0.560 -0.000) 0.560 9.086 ( 0.000 0.274 0.000) 0.274 9.090 ( 0.000 0.132 0.000) 0.132 10.671 ( 0.000 0.668 0.000) 0.668 10.712 ( 0.000 1.539 0.000) 1.539 10.751 ( 0.000 0.461 0.000) 0.461 10.793 ( -0.000 -1.668 -0.000) 1.668 11.017 ( 0.000 0.829 0.000) 0.829 11.070 ( 0.000 3.011 0.000) 3.011 11.171 ( 0.000 0.677 0.000) 0.677 11.257 ( 0.000 0.270 0.000) 0.270 11.310 ( -0.000 -7.089 -0.000) 7.089 11.485 ( 0.000 0.350 0.000) 0.350 11.832 ( -0.000 -0.864 -0.000) 0.864 11.882 ( -0.000 -2.201 -0.000) 2.201 12.280 ( 0.000 7.242 0.000) 7.242 12.520 ( -0.000 -2.507 -0.000) 2.507 12.772 ( -0.000 -1.018 -0.000) 1.018 12.886 ( -0.000 -0.841 -0.000) 0.841 12.899 ( 0.000 2.928 0.000) 2.928 13.014 ( -0.000 -0.628 -0.000) 0.628 13.133 ( -0.000 -3.812 -0.000) 3.812 13.177 ( -0.000 -2.277 -0.000) 2.277 13.249 ( 0.000 0.809 0.000) 0.809 13.621 ( 0.000 3.205 0.000) 3.205 13.725 ( 0.000 4.131 0.000) 4.131 13.944 ( 0.000 2.590 0.000) 2.590 14.024 ( -0.000 -9.566 -0.000) 9.566 14.351 ( 0.000 1.477 0.000) 1.477 ======================= Grid point 51 (17/88) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( 2.077 -0.000 23.542) 23.634 0.552 ( 5.352 -0.000 27.539) 28.054 0.955 ( -0.659 0.000 48.432) 48.436 1.601 ( 4.145 -0.000 -0.367) 4.161 1.946 ( -2.970 0.000 -6.797) 7.418 1.976 ( 7.435 -0.000 -4.573) 8.728 2.103 ( 3.968 -0.000 -4.858) 6.273 2.149 ( -1.625 0.000 -7.032) 7.217 2.263 ( 5.962 -0.000 -10.760) 12.302 2.344 ( -8.012 0.000 1.447) 8.141 2.418 ( 7.071 -0.000 -10.120) 12.346 2.553 ( 0.508 -0.000 -1.535) 1.617 2.574 ( 3.914 -0.000 6.398) 7.500 2.620 ( -1.092 0.000 -5.967) 6.066 2.678 ( -0.291 0.000 0.066) 0.298 2.683 ( 2.770 -0.000 -1.167) 3.006 2.865 ( -10.047 0.000 -0.993) 10.096 2.988 ( 1.377 -0.000 3.483) 3.746 2.991 ( -3.359 0.000 -2.578) 4.234 3.082 ( 10.141 -0.000 -3.075) 10.597 3.208 ( -2.662 0.000 0.251) 2.674 3.254 ( 3.094 -0.000 1.325) 3.366 3.257 ( 0.569 -0.000 8.011) 8.032 3.303 ( -3.939 0.000 -0.796) 4.018 3.334 ( 2.416 -0.000 -10.276) 10.556 3.441 ( -2.791 0.000 -1.052) 2.983 3.459 ( -0.366 0.000 -2.202) 2.232 3.500 ( -8.507 0.000 -1.418) 8.625 3.504 ( 0.097 -0.000 1.363) 1.367 3.602 ( 0.904 -0.000 4.699) 4.785 3.659 ( 2.085 -0.000 -3.594) 4.155 3.762 ( -0.437 0.000 0.877) 0.979 3.819 ( -4.116 0.000 3.782) 5.590 3.868 ( 6.528 -0.000 8.875) 11.017 3.962 ( -5.396 0.000 -2.633) 6.004 4.004 ( 2.426 -0.000 1.832) 3.040 4.057 ( -0.739 0.000 0.035) 0.740 4.129 ( 0.099 -0.000 -1.855) 1.858 4.166 ( 18.381 -0.000 0.244) 18.383 4.292 ( -10.409 0.000 -4.158) 11.209 4.311 ( 0.302 -0.000 5.490) 5.498 4.476 ( -16.625 0.000 5.410) 17.483 4.526 ( 5.742 -0.000 5.118) 7.692 4.578 ( 0.777 -0.000 3.035) 3.133 4.583 ( 3.640 -0.000 -4.382) 5.697 4.730 ( -2.664 0.000 -1.752) 3.188 4.734 ( 0.172 -0.000 3.563) 3.567 4.818 ( 0.758 -0.000 -0.446) 0.880 4.863 ( 2.305 -0.000 -0.428) 2.345 4.902 ( 5.276 -0.000 -6.063) 8.037 4.912 ( 1.178 -0.000 2.099) 2.407 5.110 ( -2.701 0.000 -2.563) 3.724 5.184 ( 5.044 -0.000 4.746) 6.926 5.267 ( 6.002 -0.000 -5.409) 8.079 5.343 ( -4.021 0.000 -2.191) 4.580 5.352 ( -0.741 0.000 -6.425) 6.468 5.404 ( -6.695 0.000 0.658) 6.727 5.419 ( 2.928 -0.000 3.148) 4.300 5.504 ( -8.235 0.000 0.730) 8.268 5.655 ( 6.302 -0.000 2.607) 6.820 5.689 ( 2.403 -0.000 -4.381) 4.997 5.755 ( -1.620 0.000 3.656) 3.999 5.867 ( -0.244 0.000 -1.181) 1.205 5.950 ( -6.067 0.000 0.927) 6.137 5.981 ( -0.846 0.000 6.517) 6.572 5.995 ( 3.182 -0.000 4.334) 5.376 6.144 ( -1.588 0.000 0.667) 1.723 6.180 ( 2.198 -0.000 2.352) 3.219 6.320 ( 2.928 -0.000 0.649) 2.999 6.441 ( 0.327 -0.000 1.154) 1.199 6.487 ( 0.855 -0.000 -1.741) 1.940 6.573 ( -8.434 0.000 -4.689) 9.650 6.590 ( -2.287 0.000 -2.075) 3.088 6.703 ( 1.881 -0.000 -2.478) 3.111 6.757 ( -0.020 0.000 -0.033) 0.038 6.949 ( 0.709 -0.000 -2.784) 2.873 7.169 ( 0.979 -0.000 0.084) 0.982 7.187 ( 3.291 -0.000 -0.361) 3.311 8.926 ( -0.282 0.000 -1.322) 1.352 8.997 ( 0.087 -0.000 -2.292) 2.294 9.068 ( 0.160 -0.000 1.489) 1.497 9.072 ( -0.154 0.000 1.602) 1.609 10.547 ( -0.081 0.000 -0.197) 0.213 10.619 ( -1.079 0.000 -0.102) 1.084 10.653 ( -0.193 0.000 2.443) 2.451 10.831 ( -1.518 0.000 -2.539) 2.958 10.918 ( 0.042 -0.000 1.751) 1.751 11.111 ( 1.177 -0.000 0.739) 1.389 11.201 ( -5.602 0.000 1.305) 5.752 11.299 ( -0.104 0.000 -1.848) 1.851 11.463 ( 1.006 -0.000 1.414) 1.736 11.619 ( 7.869 -0.000 -6.491) 10.201 11.877 ( 23.691 -0.000 5.127) 24.240 12.089 ( -2.931 0.000 -0.570) 2.986 12.146 ( -14.428 0.000 0.082) 14.428 12.186 ( 0.899 -0.000 -0.954) 1.311 12.706 ( -2.921 0.000 3.614) 4.647 13.028 ( -3.125 0.000 -3.811) 4.928 13.087 ( 0.903 -0.000 -5.121) 5.200 13.222 ( -1.905 0.000 -4.676) 5.049 13.274 ( -21.825 0.000 3.988) 22.186 13.431 ( 3.675 -0.000 4.551) 5.849 13.447 ( 4.274 -0.000 -0.133) 4.276 13.488 ( 1.780 -0.000 -3.171) 3.637 13.655 ( -7.393 0.000 4.336) 8.571 13.770 ( -0.563 0.000 3.788) 3.829 13.972 ( -4.733 0.000 -1.212) 4.886 14.110 ( 30.558 -0.000 -1.907) 30.617 ======================= Grid point 52 (18/88) ======================= q-point: ( 0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 2.018 -14.931 19.917) 24.974 0.979 ( 6.539 -17.360 21.529) 28.419 1.494 ( 13.550 -17.842 36.464) 42.797 1.637 ( 5.730 -0.569 -1.226) 5.887 1.875 ( 1.068 -0.224 -9.510) 9.572 1.959 ( 0.546 2.974 -3.246) 4.436 2.068 ( -1.397 3.468 -4.036) 5.502 2.110 ( 3.026 0.832 -7.553) 8.179 2.150 ( 4.515 2.059 -8.081) 9.483 2.331 ( 0.854 0.852 -5.070) 5.212 2.376 ( 2.160 0.201 -4.336) 4.849 2.530 ( 2.948 2.108 -2.992) 4.700 2.570 ( 0.253 0.572 -5.274) 5.311 2.620 ( 1.319 2.434 -2.394) 3.660 2.684 ( -4.103 0.531 -1.995) 4.593 2.714 ( 0.805 -0.763 1.500) 1.865 2.777 ( -5.689 -4.187 -1.933) 7.323 2.940 ( -3.967 -1.275 -1.881) 4.571 2.997 ( -3.403 -0.579 -0.706) 3.523 3.107 ( 7.682 5.587 0.391) 9.507 3.138 ( -4.558 3.328 1.036) 5.738 3.163 ( 4.283 8.444 -4.862) 10.643 3.245 ( -2.221 0.166 1.308) 2.583 3.280 ( -2.821 3.830 -0.367) 4.771 3.334 ( 2.601 2.082 1.429) 3.625 3.443 ( -1.761 -1.812 3.463) 4.287 3.465 ( -0.825 -3.540 1.803) 4.058 3.521 ( 3.623 -5.999 -2.320) 7.382 3.554 ( -2.200 -4.560 -1.109) 5.183 3.658 ( 2.559 -1.265 1.488) 3.219 3.680 ( 3.202 -1.677 -0.263) 3.624 3.761 ( 0.451 1.028 2.366) 2.619 3.803 ( -3.082 -0.431 0.902) 3.240 3.886 ( -3.249 -0.918 -2.149) 4.002 3.928 ( -1.174 3.852 1.936) 4.468 4.000 ( -6.752 -0.951 0.882) 6.875 4.039 ( 4.180 5.155 4.460) 7.997 4.130 ( 0.385 2.625 -0.029) 2.654 4.210 ( -0.703 -1.746 0.351) 1.914 4.290 ( -0.580 -1.772 -0.206) 1.876 4.374 ( 4.859 -2.189 -0.364) 5.341 4.401 ( -9.669 0.243 6.377) 11.585 4.530 ( -1.658 -0.321 -5.328) 5.590 4.572 ( 1.740 4.125 0.483) 4.503 4.614 ( 3.503 -1.172 1.214) 3.888 4.738 ( -0.291 1.292 2.326) 2.676 4.778 ( 0.043 -1.999 4.085) 4.548 4.827 ( -0.924 1.017 -2.354) 2.726 4.871 ( 2.778 0.899 -0.469) 2.957 4.906 ( 5.275 -1.667 -1.463) 5.722 4.954 ( 2.241 0.393 -0.780) 2.405 5.064 ( -1.010 -0.248 -1.949) 2.209 5.211 ( -3.514 -0.059 -2.668) 4.412 5.266 ( 3.434 0.392 -6.924) 7.739 5.276 ( 0.887 0.637 -0.708) 1.302 5.323 ( 1.226 1.423 5.553) 5.862 5.401 ( -2.573 -2.686 -1.035) 3.861 5.451 ( -5.149 -1.651 0.951) 5.490 5.500 ( 4.608 -1.553 2.426) 5.433 5.652 ( 0.722 1.870 -3.867) 4.356 5.715 ( 3.748 -0.114 0.929) 3.863 5.746 ( -1.635 1.893 -0.595) 2.571 5.848 ( -0.113 1.899 0.932) 2.118 5.877 ( -4.215 3.458 4.100) 6.822 5.955 ( 2.417 8.541 4.646) 10.019 6.011 ( -1.410 2.718 4.243) 5.233 6.180 ( -0.730 -1.371 1.604) 2.233 6.218 ( 3.609 1.206 1.576) 4.119 6.282 ( 2.473 6.849 0.007) 7.281 6.385 ( -2.323 6.659 -0.869) 7.106 6.408 ( -2.851 5.181 -1.937) 6.223 6.545 ( -0.301 -3.794 -2.668) 4.647 6.576 ( -0.455 -4.847 0.411) 4.885 6.746 ( 2.022 -5.477 -1.448) 6.015 6.810 ( -2.728 -4.937 -0.544) 5.667 6.985 ( -2.613 -8.531 -3.411) 9.552 7.159 ( 1.169 1.253 0.234) 1.729 7.244 ( 2.164 -3.330 -1.859) 4.385 8.912 ( -0.344 0.124 -1.062) 1.124 8.984 ( -0.046 -0.564 -2.157) 2.230 9.065 ( -0.296 1.179 1.606) 2.015 9.091 ( 0.011 -0.465 1.039) 1.138 10.563 ( 1.022 -1.400 -0.004) 1.733 10.617 ( -0.340 -0.605 0.040) 0.695 10.673 ( 0.060 -0.087 2.561) 2.563 10.807 ( -0.353 -0.709 -2.827) 2.936 10.944 ( 0.499 -0.732 2.359) 2.520 11.137 ( -2.838 3.832 2.127) 5.222 11.150 ( 2.491 -1.864 1.925) 3.659 11.299 ( -0.031 -1.496 -2.034) 2.525 11.483 ( 1.658 0.378 1.415) 2.212 11.571 ( -0.913 2.223 -4.519) 5.118 11.966 ( -5.963 5.303 1.179) 8.067 12.032 ( 6.536 2.502 1.058) 7.078 12.097 ( -5.406 -2.674 -0.693) 6.071 12.276 ( 5.632 -6.525 -2.932) 9.104 12.736 ( -1.514 -2.920 2.833) 4.341 12.947 ( -4.420 4.301 0.557) 6.193 13.045 ( -1.195 2.046 -1.546) 2.829 13.141 ( -7.245 0.325 1.427) 7.391 13.172 ( -2.015 0.203 -2.750) 3.416 13.404 ( -2.277 3.094 2.303) 4.478 13.452 ( 3.566 2.822 -0.269) 4.556 13.558 ( 6.965 -1.869 2.834) 7.748 13.664 ( 0.475 0.727 0.116) 0.876 13.830 ( -8.619 -2.031 3.332) 9.461 13.910 ( 2.086 -1.791 -1.329) 3.054 14.283 ( 11.349 -2.026 -6.792) 13.381 ======================= Grid point 53 (19/88) ======================= q-point: ( 0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 0.680 -16.489 13.423) 21.272 1.419 ( 4.274 -13.808 20.071) 24.734 1.688 ( 8.020 1.208 -1.353) 8.223 1.764 ( -3.552 4.188 -6.182) 8.269 1.861 ( 4.180 9.139 -4.622) 11.062 1.953 ( 2.384 -1.470 -13.414) 13.703 2.045 ( 5.625 3.764 -3.034) 7.417 2.121 ( 5.601 -16.682 13.862) 22.402 2.191 ( 1.710 -4.974 -0.415) 5.276 2.274 ( -0.490 1.148 -1.315) 1.813 2.393 ( -0.091 0.187 -0.525) 0.565 2.471 ( -4.918 -0.369 -6.303) 8.003 2.529 ( 4.971 0.259 -0.632) 5.018 2.570 ( 2.141 -0.786 1.849) 2.936 2.623 ( 0.041 1.243 -2.337) 2.647 2.712 ( 0.993 -0.570 -3.134) 3.337 2.822 ( -0.552 -3.375 -2.881) 4.471 2.931 ( -7.351 0.340 2.437) 7.752 2.976 ( -3.347 -3.879 -2.165) 5.562 2.989 ( -0.013 4.277 -0.939) 4.379 3.079 ( 2.388 4.240 -1.459) 5.080 3.151 ( 3.747 3.606 -0.587) 5.234 3.198 ( 2.107 1.045 0.847) 2.499 3.249 ( -2.745 -0.333 -0.753) 2.866 3.366 ( 2.353 -0.956 5.221) 5.806 3.487 ( -0.302 0.631 4.578) 4.631 3.493 ( -3.243 -1.180 -0.494) 3.486 3.535 ( -3.940 -0.281 -1.728) 4.312 3.610 ( 3.870 -0.754 -1.955) 4.401 3.708 ( 1.085 -2.007 2.291) 3.233 3.752 ( 0.559 -1.847 0.424) 1.975 3.775 ( -0.155 0.932 1.915) 2.135 3.790 ( -2.364 4.506 0.507) 5.114 3.837 ( 1.438 -4.518 -1.966) 5.133 3.857 ( -4.914 1.992 -0.133) 5.304 3.968 ( -2.498 1.137 1.443) 3.101 4.068 ( 0.994 -2.452 1.308) 2.952 4.098 ( 0.740 3.371 2.181) 4.083 4.197 ( -2.044 1.304 -2.310) 3.349 4.263 ( -3.355 1.264 0.477) 3.617 4.392 ( -4.413 -0.187 2.824) 5.243 4.452 ( 1.990 -0.744 1.837) 2.809 4.471 ( -0.427 -1.169 -7.174) 7.281 4.502 ( -0.178 4.180 -0.237) 4.190 4.658 ( 0.635 0.891 1.512) 1.867 4.692 ( 1.488 4.865 -0.024) 5.087 4.773 ( -1.741 2.439 0.331) 3.015 4.847 ( -0.455 -4.007 -1.241) 4.219 4.878 ( 1.718 3.094 0.304) 3.552 4.906 ( 4.867 -0.473 -0.404) 4.907 4.973 ( 5.231 -0.035 -1.799) 5.532 5.084 ( 0.899 0.454 -0.921) 1.365 5.148 ( -3.911 -0.858 -1.996) 4.474 5.241 ( -0.555 -1.051 0.196) 1.205 5.339 ( 2.005 -3.140 2.740) 4.625 5.348 ( -1.072 -0.200 3.548) 3.712 5.399 ( -1.990 -1.016 -0.637) 2.323 5.502 ( 2.794 -4.350 -0.634) 5.209 5.531 ( 1.880 1.906 -2.941) 3.977 5.633 ( 2.954 0.269 1.123) 3.172 5.652 ( -3.999 3.721 -4.263) 6.929 5.732 ( 0.214 -0.118 -0.731) 0.771 5.815 ( -1.252 3.452 2.542) 4.466 5.862 ( 0.885 3.265 5.990) 6.879 5.899 ( 1.194 4.402 2.510) 5.206 5.958 ( -1.284 4.773 1.464) 5.155 6.112 ( -2.124 6.135 -1.263) 6.615 6.195 ( -0.590 3.580 -0.733) 3.701 6.250 ( 0.702 0.709 1.838) 2.092 6.295 ( -3.601 3.407 -3.245) 5.925 6.338 ( 4.411 2.285 2.362) 5.501 6.529 ( 1.335 0.252 -4.454) 4.657 6.700 ( -0.688 -6.679 2.756) 7.258 6.844 ( -0.588 -4.502 -1.507) 4.783 6.848 ( -0.076 -4.749 0.802) 4.817 7.065 ( -0.073 -6.347 -3.618) 7.306 7.159 ( -0.800 -0.553 0.760) 1.234 7.292 ( 0.878 -3.080 -0.972) 3.347 8.904 ( -0.352 -0.215 -0.313) 0.518 8.978 ( -0.177 -0.827 -1.939) 2.116 9.056 ( -0.281 1.267 1.588) 2.051 9.099 ( 0.014 0.003 0.342) 0.342 10.594 ( 1.213 -1.356 0.018) 1.819 10.628 ( 0.405 -0.643 0.080) 0.764 10.697 ( 0.634 -0.104 2.672) 2.748 10.798 ( -0.163 -0.947 -2.379) 2.566 10.977 ( 0.781 -0.244 2.403) 2.539 11.072 ( -1.997 3.541 0.180) 4.069 11.232 ( 2.681 -3.455 2.190) 4.891 11.303 ( -0.738 -1.890 -2.611) 3.306 11.483 ( -0.703 1.336 -0.039) 1.510 11.509 ( -0.398 1.678 -1.234) 2.121 11.874 ( -3.508 2.471 0.729) 4.353 12.022 ( 0.221 2.610 2.200) 3.420 12.074 ( -3.558 -0.101 -1.354) 3.808 12.379 ( 5.332 -3.132 -1.805) 6.442 12.799 ( -1.010 -3.791 1.476) 4.192 12.875 ( -2.785 1.510 2.245) 3.883 13.014 ( -1.937 -0.057 0.721) 2.068 13.094 ( -1.188 1.046 -3.397) 3.747 13.157 ( -1.293 0.692 1.531) 2.120 13.354 ( -3.212 2.031 0.886) 3.902 13.433 ( 3.421 2.786 -0.621) 4.455 13.616 ( 0.181 -0.818 -4.711) 4.785 13.669 ( -1.497 -2.053 2.175) 3.344 13.758 ( 1.130 4.806 1.181) 5.076 14.019 ( 0.594 -6.508 2.670) 7.060 14.305 ( 4.480 0.610 -4.477) 6.363 ======================= Grid point 54 (20/88) ======================= q-point: ( 0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 1.952 1.418 -0.954) 2.595 1.592 ( 0.517 10.024 -6.803) 12.126 1.680 ( 0.123 2.361 4.243) 4.857 1.709 ( 1.873 9.940 5.422) 11.476 1.757 ( -1.820 -9.417 3.727) 10.290 1.944 ( 0.832 -7.993 -6.941) 10.619 2.048 ( 10.075 -2.193 -2.356) 10.576 2.222 ( -0.830 -2.932 0.613) 3.109 2.263 ( -2.416 -0.955 2.044) 3.306 2.325 ( 3.022 -3.957 -4.244) 6.542 2.393 ( -0.206 -0.471 7.896) 7.913 2.466 ( -0.848 -2.239 -5.744) 6.223 2.526 ( 0.940 -1.100 -0.959) 1.736 2.577 ( 2.197 -0.671 -2.917) 3.713 2.704 ( 0.707 -1.019 1.712) 2.113 2.760 ( -5.773 0.350 -3.080) 6.553 2.869 ( 6.649 -5.741 4.896) 10.057 2.915 ( -3.997 2.426 -1.508) 4.913 2.939 ( 0.473 0.217 2.482) 2.537 2.987 ( 4.359 -0.427 -4.834) 6.523 3.086 ( 3.153 -2.112 1.913) 4.250 3.110 ( -4.135 -2.207 -0.665) 4.734 3.229 ( -0.142 0.323 -2.322) 2.349 3.261 ( 5.626 -0.947 4.248) 7.113 3.386 ( -5.005 3.450 0.700) 6.120 3.454 ( -0.112 -0.544 -0.240) 0.605 3.485 ( -3.312 2.655 1.079) 4.380 3.520 ( 0.086 -0.655 2.031) 2.135 3.614 ( -2.847 3.975 0.991) 4.988 3.650 ( -4.927 6.211 1.648) 8.097 3.686 ( -0.380 0.747 1.546) 1.758 3.745 ( -2.299 0.830 -0.340) 2.468 3.779 ( -0.680 0.721 -1.516) 1.812 3.867 ( -1.703 -4.490 3.054) 5.691 3.919 ( 2.754 1.881 0.661) 3.400 3.960 ( 1.262 -3.595 -0.481) 3.840 4.042 ( 0.016 2.214 1.425) 2.633 4.134 ( 3.112 -0.383 3.930) 5.027 4.193 ( 3.007 -2.259 -4.946) 6.213 4.255 ( -0.152 -1.425 2.238) 2.657 4.346 ( -2.461 4.008 -4.649) 6.613 4.391 ( -1.415 0.249 0.782) 1.636 4.452 ( 0.366 -0.112 -2.932) 2.956 4.523 ( 0.504 -1.404 0.757) 1.673 4.616 ( -1.609 3.052 0.697) 3.520 4.649 ( 2.342 2.080 -0.498) 3.172 4.748 ( -0.667 1.080 -0.005) 1.270 4.828 ( 3.379 5.536 -1.162) 6.589 4.899 ( 0.630 -3.736 -2.168) 4.365 4.966 ( 3.410 -1.993 -2.404) 4.624 4.999 ( 5.204 1.080 -1.731) 5.589 5.027 ( -2.557 1.028 -1.124) 2.977 5.161 ( -0.737 -1.745 2.567) 3.190 5.273 ( -3.058 -2.331 2.828) 4.772 5.338 ( -3.719 1.734 1.142) 4.259 5.368 ( -1.074 2.254 -1.863) 3.115 5.421 ( -4.364 1.048 0.078) 4.489 5.475 ( 0.199 -5.992 -2.723) 6.584 5.538 ( -2.183 -2.423 -7.144) 7.853 5.612 ( 4.559 -0.111 1.094) 4.690 5.657 ( 3.925 2.101 1.513) 4.702 5.731 ( -0.521 -0.942 0.232) 1.102 5.789 ( -0.856 2.094 3.580) 4.235 5.841 ( 1.075 5.415 4.439) 7.084 5.864 ( -1.365 3.446 2.957) 4.741 5.934 ( 1.964 -0.494 -0.151) 2.031 6.028 ( -1.462 0.781 0.341) 1.692 6.151 ( 1.278 3.278 0.254) 3.528 6.206 ( -4.650 -1.252 -5.545) 7.344 6.251 ( -0.499 1.218 2.369) 2.710 6.364 ( 3.635 2.012 1.916) 4.576 6.506 ( 2.554 -0.007 -4.403) 5.090 6.767 ( -2.996 -2.131 0.975) 3.803 6.876 ( 0.179 -1.426 1.098) 1.808 6.918 ( 1.076 -2.001 -0.164) 2.278 7.098 ( 2.825 -0.527 -3.902) 4.846 7.184 ( -3.206 -3.488 2.073) 5.171 7.330 ( 1.274 -1.106 -0.063) 1.688 8.909 ( -0.432 -0.658 0.459) 0.911 8.977 ( -0.105 -0.970 -1.595) 1.870 9.049 ( 0.032 1.103 1.540) 1.894 9.097 ( 0.007 0.340 -0.357) 0.493 10.619 ( 0.935 -0.718 0.128) 1.185 10.637 ( 0.233 0.078 -0.052) 0.251 10.717 ( -0.232 0.862 2.130) 2.310 10.802 ( 0.883 -1.285 -0.805) 1.755 10.996 ( 0.525 0.703 1.215) 1.498 11.009 ( -1.016 2.480 -0.651) 2.758 11.267 ( -2.134 -0.657 -2.942) 3.693 11.323 ( -0.455 -2.209 -0.874) 2.419 11.457 ( -0.938 -0.039 0.405) 1.023 11.489 ( -0.006 0.305 -0.294) 0.424 11.847 ( -0.426 0.672 2.032) 2.182 11.982 ( 3.296 5.056 -0.956) 6.111 12.073 ( -4.566 -3.718 3.522) 6.861 12.422 ( 3.505 0.396 -1.302) 3.760 12.835 ( -0.956 -1.821 1.099) 2.332 12.901 ( -1.249 -2.852 1.836) 3.615 13.017 ( -2.519 -0.872 2.100) 3.393 13.057 ( -0.297 -0.456 -2.014) 2.087 13.106 ( -2.493 4.556 -0.164) 5.196 13.329 ( -1.849 -1.255 0.024) 2.235 13.421 ( 2.858 1.641 -0.581) 3.346 13.569 ( -4.763 -2.163 -6.405) 8.270 13.659 ( 1.080 0.849 -3.584) 3.839 13.781 ( 4.363 1.756 6.910) 8.358 14.112 ( 1.047 -1.546 2.429) 3.063 14.296 ( 1.988 -0.447 -2.579) 3.287 ======================= Grid point 55 (21/88) ======================= q-point: (-0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -7.264 18.142 -2.789) 19.740 1.341 ( -0.168 25.663 -0.716) 25.673 1.549 ( 5.657 2.618 -2.603) 6.755 1.782 ( -2.437 -4.196 1.289) 5.021 1.882 ( -1.595 -8.814 -3.152) 9.495 2.057 ( 1.963 -9.781 -3.004) 10.418 2.174 ( 5.921 4.399 2.907) 7.928 2.255 ( -0.352 -0.858 5.134) 5.217 2.327 ( 3.947 -3.680 -3.737) 6.564 2.378 ( -2.459 4.964 -4.442) 7.101 2.390 ( 0.212 -3.288 1.928) 3.817 2.401 ( -2.467 3.949 -2.058) 5.091 2.579 ( -3.016 6.414 -1.357) 7.216 2.599 ( 0.447 -3.366 1.341) 3.651 2.636 ( -1.984 -4.437 2.314) 5.384 2.739 ( -0.564 -1.961 0.921) 2.239 2.869 ( 1.628 0.481 -1.934) 2.574 2.912 ( 4.045 -2.167 4.178) 6.206 2.955 ( -2.470 3.703 0.228) 4.457 3.007 ( -0.065 0.775 -1.059) 1.314 3.075 ( -0.233 -0.439 1.866) 1.931 3.095 ( -3.847 -0.494 -2.079) 4.400 3.189 ( -0.074 0.008 -5.707) 5.708 3.311 ( -2.631 0.937 1.591) 3.215 3.375 ( 2.900 1.331 3.067) 4.426 3.412 ( -5.380 2.276 0.873) 5.907 3.477 ( -1.098 -3.873 3.397) 5.268 3.564 ( 1.200 -2.434 0.278) 2.728 3.574 ( -0.215 -1.344 -1.037) 1.711 3.618 ( 3.172 -0.113 2.753) 4.202 3.711 ( -0.981 -3.330 -0.860) 3.576 3.717 ( -2.786 0.957 1.418) 3.269 3.757 ( 0.478 0.798 -0.637) 1.127 3.912 ( 0.910 1.361 1.315) 2.100 3.932 ( -2.966 -2.339 2.184) 4.364 3.997 ( 1.503 1.303 2.120) 2.907 4.034 ( 1.427 4.776 -1.075) 5.099 4.167 ( 3.981 -1.070 -2.562) 4.854 4.202 ( 6.475 5.089 2.989) 8.761 4.247 ( 1.190 2.421 -2.424) 3.627 4.308 ( 1.079 -2.021 1.931) 2.995 4.425 ( 0.780 -1.878 1.942) 2.812 4.458 ( 1.575 -4.520 -4.697) 6.706 4.540 ( -2.947 -0.603 2.985) 4.238 4.576 ( 0.999 1.984 -1.561) 2.715 4.674 ( 2.652 -0.193 1.589) 3.097 4.713 ( -0.044 -0.268 -2.167) 2.184 4.778 ( -0.223 0.985 -0.695) 1.226 4.892 ( 1.638 2.048 -1.258) 2.909 4.979 ( 3.556 0.260 -3.746) 5.172 4.997 ( -2.814 -2.277 -0.576) 3.665 5.036 ( 2.680 -0.104 -2.854) 3.917 5.190 ( -3.294 1.257 0.426) 3.552 5.249 ( -3.588 -1.108 -1.863) 4.192 5.274 ( -5.653 -3.963 -2.744) 7.429 5.347 ( -0.432 0.526 0.083) 0.685 5.391 ( -1.073 -0.614 4.684) 4.844 5.491 ( -0.657 -0.476 -7.684) 7.726 5.552 ( -0.712 -2.561 -2.048) 3.355 5.654 ( 2.191 -1.996 2.997) 4.215 5.661 ( 0.031 1.445 -0.599) 1.564 5.758 ( 1.573 1.313 2.821) 3.487 5.775 ( -1.338 -0.201 0.657) 1.504 5.821 ( -1.827 2.986 5.564) 6.573 5.837 ( -1.130 -0.509 1.531) 1.970 5.951 ( 2.637 1.463 1.173) 3.236 6.093 ( 1.677 -7.016 0.570) 7.237 6.120 ( 0.717 -0.020 -1.376) 1.552 6.173 ( -3.890 -3.140 -3.597) 6.159 6.253 ( 0.207 1.268 3.615) 3.837 6.355 ( 0.251 1.225 -1.566) 2.004 6.511 ( 4.388 -0.498 -2.688) 5.170 6.744 ( -3.086 2.058 0.480) 3.740 6.888 ( 1.288 2.156 0.622) 2.587 6.922 ( 0.289 1.622 0.289) 1.673 7.080 ( 3.475 2.355 -3.496) 5.463 7.221 ( -2.553 -1.663 2.492) 3.936 7.340 ( 0.738 0.955 0.218) 1.227 8.921 ( -0.508 -0.900 0.581) 1.186 8.982 ( 0.108 -1.142 -0.803) 1.401 9.048 ( 0.333 0.824 1.425) 1.680 9.085 ( 0.037 0.571 -0.938) 1.099 10.629 ( -0.381 0.844 0.252) 0.960 10.632 ( 0.280 -0.024 0.241) 0.370 10.695 ( -1.478 2.290 0.796) 2.839 10.833 ( 1.673 -0.912 0.566) 1.988 10.960 ( -0.622 1.665 -0.481) 1.841 11.002 ( 1.001 0.651 0.345) 1.243 11.214 ( -3.037 0.703 -3.418) 4.626 11.308 ( -3.976 -0.774 -2.411) 4.714 11.467 ( -0.815 -0.727 0.147) 1.102 11.506 ( 1.609 -1.920 0.486) 2.552 11.874 ( 1.818 -0.664 3.116) 3.668 11.938 ( 4.399 3.946 -1.072) 6.006 12.142 ( -2.724 -4.481 4.683) 7.031 12.413 ( 2.932 2.254 -2.391) 4.403 12.852 ( -0.850 0.697 0.237) 1.124 12.922 ( -3.217 1.009 4.333) 5.490 12.992 ( -2.905 0.261 -0.179) 2.922 13.069 ( 0.178 -2.636 1.580) 3.079 13.086 ( -1.123 -4.038 -1.763) 4.547 13.341 ( -0.858 -1.305 0.074) 1.564 13.418 ( 1.635 0.601 -1.108) 2.064 13.508 ( -4.780 -1.647 -6.445) 8.191 13.639 ( 5.849 1.505 -4.207) 7.360 13.842 ( 1.221 0.583 6.929) 7.059 14.109 ( 0.587 4.462 1.939) 4.901 14.321 ( 1.218 -2.824 -2.007) 3.673 ======================= Grid point 56 (22/88) ======================= q-point: (-0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( -10.296 19.438 10.200) 24.246 0.930 ( -3.343 27.804 4.597) 28.379 1.551 ( 4.861 0.654 -2.574) 5.539 1.680 ( -18.495 34.617 -4.476) 39.503 1.845 ( 1.722 0.745 -0.165) 1.884 1.964 ( -0.328 -3.916 -2.858) 4.859 2.154 ( -1.328 -1.717 1.226) 2.493 2.213 ( 2.379 -0.434 -7.391) 7.777 2.316 ( 0.537 -2.469 -4.554) 5.208 2.361 ( 4.954 -1.939 0.875) 5.391 2.454 ( -5.204 -3.637 1.729) 6.580 2.507 ( 4.591 -6.430 -1.419) 8.027 2.538 ( 1.519 -2.289 -1.364) 3.067 2.631 ( -0.379 -0.625 -1.669) 1.822 2.721 ( -1.838 -2.509 2.147) 3.780 2.780 ( 1.131 -1.897 -2.842) 3.599 2.860 ( -8.670 0.135 6.120) 10.613 2.878 ( 1.802 0.785 1.946) 2.766 3.021 ( 3.363 -1.024 -3.610) 5.039 3.036 ( -1.166 -0.332 -3.547) 3.749 3.065 ( -0.219 -5.167 2.827) 5.894 3.102 ( 1.966 -0.929 2.627) 3.410 3.196 ( 3.860 -2.043 -0.441) 4.389 3.282 ( -0.593 0.833 -3.220) 3.378 3.340 ( -2.581 -0.714 3.092) 4.090 3.422 ( -0.321 0.112 4.795) 4.807 3.543 ( -0.429 -1.066 -4.159) 4.315 3.546 ( 1.180 3.538 4.082) 5.529 3.576 ( -6.786 -2.764 0.060) 7.328 3.661 ( 1.008 1.171 3.268) 3.615 3.684 ( 1.567 -1.639 -2.130) 3.111 3.740 ( 0.063 2.506 0.614) 2.581 3.810 ( -3.763 -5.102 1.246) 6.461 3.862 ( -3.102 3.643 -0.020) 4.785 3.879 ( 0.053 6.926 -2.210) 7.270 4.009 ( 2.454 -2.815 2.120) 4.294 4.015 ( 4.371 3.172 3.112) 6.233 4.122 ( 1.938 2.306 -5.580) 6.341 4.214 ( 3.414 3.298 4.481) 6.528 4.241 ( 1.417 0.278 -0.019) 1.444 4.358 ( 2.713 2.534 3.106) 4.841 4.471 ( 0.991 -2.319 1.335) 2.854 4.505 ( -1.778 -1.541 -3.463) 4.186 4.549 ( 4.046 -0.158 -4.502) 6.055 4.559 ( -5.139 -3.941 3.548) 7.384 4.677 ( 3.393 2.647 -0.012) 4.303 4.727 ( 1.764 -2.376 2.721) 4.020 4.835 ( 1.499 -4.715 -1.838) 5.278 4.911 ( 1.667 -2.245 -0.380) 2.822 4.939 ( 0.572 2.761 -0.773) 2.923 4.975 ( -1.218 1.065 -5.295) 5.536 5.043 ( 0.327 -2.143 0.574) 2.243 5.140 ( -3.377 -0.351 -3.633) 4.973 5.210 ( -1.518 -3.033 -3.733) 5.044 5.325 ( -5.118 -6.960 -1.704) 8.806 5.381 ( 3.323 0.544 7.161) 7.913 5.418 ( 2.522 1.469 -4.158) 5.080 5.450 ( 1.411 -1.351 -3.076) 3.644 5.534 ( -1.518 0.803 -0.621) 1.826 5.608 ( -1.937 2.949 0.003) 3.528 5.715 ( -2.655 -1.776 2.344) 3.962 5.749 ( 0.283 2.470 3.030) 3.920 5.788 ( -3.256 -3.370 0.036) 4.686 5.833 ( -1.791 -2.168 3.228) 4.281 5.865 ( -1.601 -2.351 1.495) 3.213 5.950 ( 1.600 2.524 1.527) 3.357 6.125 ( 0.112 -2.902 -2.345) 3.733 6.168 ( -2.502 -3.890 -2.100) 5.080 6.252 ( 0.992 -4.848 -0.037) 4.949 6.278 ( 3.141 -2.350 3.660) 5.365 6.336 ( -1.506 -2.318 -0.058) 2.765 6.541 ( 4.360 -0.875 -2.171) 4.949 6.671 ( -2.224 5.482 1.261) 6.049 6.834 ( 1.384 5.792 -0.670) 5.993 6.897 ( 0.871 3.519 1.115) 3.793 7.036 ( 5.186 4.619 -3.478) 7.767 7.220 ( -0.950 1.951 1.738) 2.780 7.318 ( -3.056 0.730 -0.412) 3.169 8.932 ( -0.375 -0.787 -0.258) 0.909 9.001 ( 0.155 -1.347 0.342) 1.398 9.048 ( 0.210 0.719 0.408) 0.853 9.070 ( 0.295 0.632 -0.336) 0.774 10.605 ( -1.457 1.615 -0.040) 2.175 10.634 ( -0.049 0.198 0.639) 0.671 10.653 ( -1.195 2.190 0.979) 2.680 10.851 ( 0.866 0.136 -0.029) 0.877 10.937 ( -0.116 1.160 0.213) 1.185 11.013 ( 1.472 -0.198 1.682) 2.244 11.165 ( -2.193 0.800 -0.625) 2.416 11.267 ( -3.836 -1.510 -2.985) 5.090 11.458 ( -1.313 0.096 -0.641) 1.464 11.574 ( 3.904 -3.204 -0.146) 5.052 11.890 ( 5.628 6.567 0.675) 8.675 11.952 ( 2.278 -3.517 0.517) 4.222 12.206 ( -3.863 -2.579 3.933) 6.086 12.375 ( 3.423 2.366 -4.801) 6.353 12.791 ( -1.380 5.262 1.741) 5.712 12.933 ( -4.812 -3.042 6.922) 8.963 13.022 ( -0.416 -4.029 -0.343) 4.065 13.109 ( -0.277 -2.024 -0.643) 2.142 13.154 ( -0.049 -5.438 1.699) 5.697 13.348 ( -2.375 -1.266 0.216) 2.701 13.397 ( -0.359 1.209 -3.637) 3.850 13.455 ( -0.908 -0.354 -3.547) 3.679 13.642 ( 7.115 0.865 -4.601) 8.517 13.881 ( 0.246 1.898 5.906) 6.208 14.046 ( -1.930 4.821 2.062) 5.587 14.340 ( 1.249 -1.074 -5.534) 5.774 ======================= Grid point 57 (23/88) ======================= q-point: (-0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( -0.221 24.313 16.205) 29.219 0.645 ( -11.141 18.177 22.959) 31.332 0.947 ( -19.644 36.301 18.293) 45.147 1.574 ( 4.150 -0.108 -1.077) 4.288 1.889 ( 6.077 -2.213 -2.680) 7.001 1.980 ( 2.129 -0.377 -1.449) 2.603 2.133 ( 5.906 3.270 -4.321) 8.015 2.198 ( -2.800 -4.683 -8.898) 10.438 2.357 ( -6.598 -5.065 -7.917) 11.483 2.382 ( -1.878 -1.838 1.869) 3.224 2.428 ( -10.115 -1.761 -6.731) 12.277 2.531 ( 4.491 -0.428 -0.562) 4.547 2.582 ( -2.274 2.246 -0.972) 3.341 2.637 ( 2.218 -3.495 -3.265) 5.272 2.714 ( -2.200 2.253 -2.464) 3.999 2.722 ( 2.605 4.355 -3.773) 6.324 2.889 ( -8.064 -3.657 6.175) 10.795 2.930 ( 1.070 -2.681 5.522) 6.231 2.996 ( 2.948 0.425 -3.025) 4.246 3.050 ( 1.237 0.429 -3.192) 3.450 3.112 ( 4.877 -4.340 -0.282) 6.534 3.188 ( -0.011 -1.257 6.866) 6.980 3.238 ( -2.668 -5.190 -3.285) 6.697 3.291 ( 0.707 -2.391 -2.021) 3.210 3.388 ( -2.111 -4.564 0.978) 5.123 3.439 ( 1.181 -0.048 -2.078) 2.390 3.508 ( -2.496 -0.204 -0.244) 2.516 3.535 ( -0.127 3.352 -0.597) 3.407 3.561 ( -6.372 -1.465 5.658) 8.646 3.625 ( -1.208 8.420 -3.261) 9.110 3.674 ( -0.443 -0.491 -0.469) 0.811 3.741 ( 0.156 -0.870 -0.453) 0.993 3.777 ( 0.719 -0.129 6.434) 6.476 3.800 ( -0.275 2.819 3.130) 4.221 3.887 ( 1.485 -3.141 2.677) 4.386 3.999 ( 1.374 4.311 4.034) 6.062 4.070 ( 4.293 1.397 0.422) 4.534 4.094 ( -1.227 -0.579 -1.765) 2.226 4.212 ( 2.708 2.912 -4.566) 6.055 4.281 ( -0.109 0.263 5.078) 5.086 4.374 ( 5.645 -1.270 5.855) 8.232 4.424 ( -5.587 1.859 -4.499) 7.410 4.526 ( 0.767 -1.510 1.563) 2.305 4.565 ( 2.008 -0.342 -0.946) 2.246 4.582 ( -6.926 -3.050 -2.073) 7.846 4.695 ( 1.897 -1.421 3.289) 4.054 4.809 ( 0.053 -2.216 -0.061) 2.217 4.857 ( 4.004 4.089 -3.590) 6.756 4.869 ( -4.429 -2.002 -1.323) 5.037 4.887 ( -0.949 1.871 -5.864) 6.228 4.948 ( 2.759 2.616 -3.624) 5.253 5.109 ( -1.901 -3.994 0.738) 4.484 5.123 ( 2.391 -0.962 0.812) 2.702 5.238 ( 4.006 -2.177 -4.192) 6.193 5.359 ( 2.276 -0.205 -5.119) 5.606 5.372 ( -3.428 -3.246 -0.509) 4.748 5.420 ( 1.528 2.649 -2.531) 3.970 5.470 ( -1.917 -0.849 3.867) 4.399 5.511 ( -2.927 0.266 3.459) 4.540 5.593 ( 3.660 -0.088 1.031) 3.804 5.702 ( -3.563 -0.231 -0.273) 3.581 5.740 ( -1.409 0.824 3.363) 3.738 5.845 ( -0.647 -4.626 1.707) 4.973 5.894 ( -3.987 -3.826 3.554) 6.570 5.900 ( -1.930 -5.804 1.386) 6.272 5.947 ( 0.312 1.059 4.434) 4.570 6.142 ( 0.124 -0.562 0.485) 0.753 6.216 ( -1.538 2.741 -1.190) 3.361 6.241 ( 1.387 -6.191 -0.470) 6.362 6.398 ( -0.841 -7.702 1.249) 7.848 6.434 ( 2.011 -4.264 1.413) 4.922 6.571 ( 1.738 -0.261 0.832) 1.945 6.588 ( -0.494 2.293 0.371) 2.375 6.753 ( 1.113 5.043 -1.286) 5.322 6.841 ( 0.015 5.081 0.235) 5.086 6.981 ( 11.570 8.157 -3.004) 14.471 7.189 ( 0.421 2.662 0.324) 2.714 7.249 ( -9.000 0.630 -2.968) 9.498 8.934 ( -0.198 -0.449 -1.004) 1.118 9.015 ( 0.118 -0.089 -1.573) 1.580 9.044 ( 0.017 -0.496 1.095) 1.202 9.069 ( 0.339 0.618 1.232) 1.420 10.566 ( -1.106 1.419 -0.313) 1.826 10.630 ( -1.165 0.741 0.871) 1.633 10.640 ( -0.038 0.166 1.690) 1.699 10.850 ( -0.316 -0.191 -0.691) 0.784 10.923 ( -0.117 1.158 0.560) 1.292 11.082 ( 1.739 -3.985 4.337) 6.141 11.145 ( -2.790 -1.660 2.625) 4.175 11.263 ( 0.984 -1.362 0.806) 1.864 11.444 ( 0.197 0.271 -0.260) 0.424 11.620 ( 8.027 2.616 -5.295) 9.966 11.816 ( 8.848 10.597 0.925) 13.837 12.035 ( 0.471 -5.011 0.556) 5.064 12.203 ( -6.007 0.113 1.594) 6.216 12.313 ( 0.576 3.265 -7.620) 8.310 12.730 ( -2.705 3.215 3.073) 5.205 13.052 ( -1.299 -3.096 -4.151) 5.339 13.085 ( -3.530 -9.797 4.683) 11.417 13.153 ( 1.761 -7.092 10.238) 12.578 13.249 ( -0.472 -4.496 1.933) 4.916 13.321 ( -5.034 -0.834 -0.584) 5.136 13.374 ( 1.551 0.469 2.056) 2.617 13.443 ( 1.680 -0.175 -2.317) 2.867 13.661 ( 6.570 -0.383 -3.735) 7.567 13.892 ( 3.466 2.613 4.961) 6.592 13.958 ( -9.823 3.251 -1.257) 10.423 14.230 ( 3.789 11.487 -13.067) 17.806 ======================= Grid point 59 (24/88) ======================= q-point: ( 0.14 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 17.445 -0.000 19.360) 26.060 1.038 ( 7.186 -0.000 21.348) 22.525 1.646 ( 6.851 -0.000 -6.996) 9.792 1.736 ( 6.946 -0.000 14.390) 15.979 1.794 ( 3.963 -0.000 3.234) 5.115 1.940 ( -6.067 0.000 -1.060) 6.159 2.055 ( -4.325 0.000 3.126) 5.337 2.122 ( 5.532 -0.000 -7.451) 9.280 2.163 ( 5.980 -0.000 -1.086) 6.078 2.338 ( 9.719 -0.000 -1.684) 9.864 2.343 ( 3.567 -0.000 -13.668) 14.126 2.554 ( 3.718 -0.000 -6.530) 7.514 2.570 ( 3.795 -0.000 -1.341) 4.025 2.578 ( -11.841 0.000 -5.929) 13.243 2.643 ( -4.711 0.000 -2.535) 5.350 2.672 ( 0.622 -0.000 -0.527) 0.815 2.755 ( 2.461 -0.000 3.230) 4.061 2.881 ( -5.187 0.000 2.020) 5.566 2.929 ( -5.015 0.000 -4.568) 6.784 3.107 ( -4.587 0.000 -1.770) 4.917 3.159 ( -8.633 0.000 -2.927) 9.116 3.225 ( 6.774 -0.000 -0.735) 6.813 3.312 ( 6.766 -0.000 -1.229) 6.877 3.329 ( 3.897 -0.000 -5.000) 6.339 3.360 ( -4.424 0.000 -2.190) 4.937 3.403 ( 0.688 -0.000 6.191) 6.229 3.430 ( -1.852 0.000 -3.243) 3.735 3.473 ( 6.106 -0.000 0.297) 6.113 3.532 ( -1.580 0.000 4.757) 5.012 3.678 ( 2.639 -0.000 0.152) 2.643 3.679 ( 3.571 -0.000 -0.434) 3.597 3.742 ( -4.806 0.000 -5.561) 7.350 3.782 ( -4.810 0.000 0.442) 4.831 3.798 ( -1.049 0.000 6.035) 6.126 3.955 ( -5.346 0.000 1.101) 5.458 4.055 ( -8.765 0.000 -1.383) 8.874 4.097 ( 2.949 -0.000 5.944) 6.635 4.175 ( 4.977 -0.000 1.232) 5.127 4.215 ( 5.998 -0.000 -0.371) 6.010 4.293 ( -0.288 0.000 3.097) 3.110 4.385 ( -8.426 0.000 8.201) 11.758 4.409 ( 7.108 -0.000 -0.524) 7.127 4.443 ( -3.660 0.000 -4.508) 5.806 4.615 ( 1.097 -0.000 -2.510) 2.739 4.646 ( 1.684 -0.000 2.476) 2.994 4.737 ( -1.965 0.000 0.872) 2.150 4.775 ( -3.072 0.000 -4.430) 5.391 4.838 ( 3.382 -0.000 5.142) 6.155 4.894 ( -0.154 0.000 1.986) 1.992 4.936 ( 5.833 -0.000 -2.626) 6.396 4.986 ( 2.499 -0.000 2.243) 3.358 5.019 ( -0.604 0.000 -3.173) 3.230 5.143 ( -5.113 0.000 -3.265) 6.066 5.230 ( -0.991 0.000 -6.839) 6.910 5.263 ( 2.967 -0.000 -4.145) 5.097 5.317 ( -6.800 0.000 5.190) 8.554 5.404 ( -5.046 0.000 0.751) 5.101 5.441 ( 8.209 -0.000 2.873) 8.697 5.571 ( 5.777 -0.000 5.671) 8.095 5.642 ( 0.484 -0.000 -4.412) 4.438 5.730 ( 0.763 -0.000 -1.342) 1.544 5.739 ( -0.577 0.000 -3.244) 3.295 5.890 ( -3.460 0.000 1.539) 3.787 5.892 ( 2.342 -0.000 3.883) 4.534 6.043 ( -2.850 0.000 6.063) 6.699 6.125 ( -2.524 0.000 0.771) 2.639 6.174 ( 5.445 -0.000 6.508) 8.485 6.273 ( 4.117 -0.000 0.762) 4.187 6.323 ( -9.133 0.000 -7.341) 11.718 6.372 ( 1.617 -0.000 -0.571) 1.715 6.492 ( 2.217 -0.000 1.100) 2.475 6.502 ( -3.511 0.000 -3.812) 5.183 6.512 ( 4.418 -0.000 2.399) 5.027 6.697 ( 2.271 -0.000 -2.994) 3.758 6.739 ( -2.064 0.000 0.102) 2.066 6.850 ( -5.130 0.000 -1.262) 5.283 7.191 ( -0.483 0.000 -2.843) 2.884 7.207 ( 2.971 -0.000 0.846) 3.089 8.902 ( -0.425 0.000 -0.904) 0.999 8.964 ( -0.128 0.000 -1.912) 1.916 9.086 ( -0.187 0.000 0.945) 0.964 9.090 ( -0.358 0.000 1.239) 1.290 10.570 ( 2.557 -0.000 0.696) 2.650 10.615 ( 0.795 -0.000 0.216) 0.824 10.696 ( 0.400 -0.000 3.070) 3.096 10.779 ( 0.287 -0.000 -2.804) 2.818 10.969 ( 1.039 -0.000 3.651) 3.796 11.136 ( -3.665 0.000 0.579) 3.711 11.175 ( 1.770 -0.000 0.759) 1.926 11.255 ( -0.912 0.000 -2.961) 3.099 11.504 ( 0.546 -0.000 0.342) 0.645 11.545 ( -1.319 0.000 -3.516) 3.755 11.955 ( -7.571 0.000 -2.477) 7.966 11.991 ( -8.564 0.000 2.643) 8.962 12.201 ( 13.886 -0.000 -0.236) 13.888 12.227 ( 3.822 -0.000 -0.366) 3.839 12.728 ( -0.373 0.000 2.184) 2.216 12.975 ( -2.245 0.000 1.996) 3.004 13.037 ( 2.250 -0.000 -4.057) 4.639 13.071 ( -11.790 0.000 3.825) 12.395 13.127 ( -2.744 0.000 -2.491) 3.705 13.360 ( -4.586 0.000 -5.001) 6.785 13.526 ( 3.130 -0.000 1.998) 3.714 13.597 ( 1.675 -0.000 1.020) 1.961 13.726 ( 0.304 -0.000 5.982) 5.990 13.741 ( -5.725 0.000 2.664) 6.315 13.921 ( 2.246 -0.000 -1.237) 2.564 14.311 ( 10.269 -0.000 -7.485) 12.708 ======================= Grid point 60 (25/88) ======================= q-point: ( 0.29 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 8.526 -1.749 15.687) 17.939 1.432 ( 11.093 -11.952 16.939) 23.512 1.646 ( 4.555 -3.063 -12.809) 13.936 1.706 ( 5.417 -3.407 -10.975) 12.704 1.881 ( -3.943 -0.288 -0.594) 3.998 1.987 ( 0.330 6.354 -3.714) 7.368 2.031 ( 0.452 -3.863 3.540) 5.260 2.131 ( 4.287 0.630 2.121) 4.824 2.176 ( -1.313 -1.239 2.554) 3.128 2.362 ( 3.718 -1.120 2.417) 4.574 2.403 ( 9.751 1.702 -0.244) 9.902 2.442 ( -0.765 2.528 -2.621) 3.721 2.527 ( 3.407 -1.240 -8.483) 9.225 2.562 ( -3.509 0.128 -4.571) 5.764 2.593 ( -2.101 -1.985 2.461) 3.796 2.705 ( -4.725 2.442 -1.833) 5.626 2.733 ( 3.068 -1.932 4.100) 5.473 2.882 ( -5.298 -3.652 -2.628) 6.950 2.933 ( 0.814 -0.591 6.082) 6.165 2.976 ( -7.302 3.881 -3.192) 8.864 3.121 ( -0.235 -1.520 -3.413) 3.744 3.176 ( -1.713 6.494 -3.091) 7.393 3.255 ( 4.437 0.417 -0.187) 4.460 3.324 ( 5.596 4.494 2.031) 7.459 3.376 ( -1.260 -0.824 -2.328) 2.772 3.431 ( 1.320 -3.268 -4.847) 5.993 3.480 ( -1.025 -2.088 4.027) 4.650 3.537 ( -0.799 -0.940 2.598) 2.876 3.590 ( 3.639 -3.727 1.539) 5.432 3.675 ( 0.094 -3.068 -3.832) 4.910 3.709 ( -0.570 -4.290 -1.851) 4.707 3.731 ( -2.634 -0.847 -1.550) 3.172 3.781 ( 3.668 -2.200 3.134) 5.303 3.833 ( -4.155 3.380 3.520) 6.409 3.894 ( -4.167 -0.194 0.449) 4.196 3.981 ( -0.199 3.353 3.632) 4.947 4.112 ( 0.412 4.888 -0.635) 4.946 4.148 ( -0.818 1.719 2.623) 3.240 4.212 ( -3.026 3.596 -1.215) 4.855 4.314 ( -0.016 1.244 2.771) 3.038 4.378 ( -0.948 2.551 -2.006) 3.381 4.422 ( -0.339 -1.151 4.267) 4.433 4.479 ( 4.808 -0.827 1.735) 5.178 4.555 ( -1.358 3.501 -1.168) 3.933 4.661 ( -1.895 0.250 0.842) 2.089 4.725 ( -2.152 -3.610 -4.979) 6.516 4.761 ( -0.049 -1.016 -0.654) 1.209 4.830 ( -2.067 4.199 -1.641) 4.959 4.896 ( 4.031 0.758 2.502) 4.804 4.957 ( 4.306 1.540 -3.888) 6.003 5.015 ( 2.477 0.226 2.354) 3.425 5.058 ( -0.990 -4.277 0.329) 4.403 5.094 ( -0.508 -0.111 -1.798) 1.871 5.187 ( -3.468 -2.641 -3.177) 5.394 5.288 ( 2.798 -3.755 -3.839) 6.055 5.311 ( -7.094 -1.322 3.866) 8.187 5.374 ( -3.740 0.453 3.851) 5.387 5.518 ( 4.415 0.654 -0.516) 4.493 5.579 ( 0.190 2.438 -1.736) 2.999 5.666 ( 3.655 2.196 1.326) 4.465 5.694 ( 5.331 1.325 -1.324) 5.651 5.717 ( -1.071 -0.105 -1.390) 1.758 5.864 ( -2.375 1.049 0.962) 2.769 5.927 ( 2.758 3.049 3.825) 5.615 6.021 ( -2.129 5.561 4.309) 7.350 6.068 ( -1.257 3.966 2.313) 4.760 6.147 ( -6.095 4.329 -5.751) 9.432 6.206 ( 0.922 6.630 0.324) 6.702 6.278 ( 0.375 0.602 1.343) 1.519 6.371 ( 2.342 4.297 0.991) 4.993 6.431 ( 0.613 2.070 -0.670) 2.260 6.504 ( 2.579 1.658 -2.626) 4.037 6.600 ( -0.859 -6.699 2.131) 7.083 6.744 ( -0.345 -6.278 -1.625) 6.494 6.783 ( 1.321 -5.242 0.487) 5.428 6.890 ( -3.495 -9.642 -1.874) 10.426 7.157 ( -1.248 0.317 -1.419) 1.916 7.264 ( 3.502 -2.166 0.922) 4.220 8.895 ( -0.436 -0.235 -0.288) 0.573 8.953 ( -0.205 -0.504 -1.550) 1.642 9.081 ( -0.277 0.913 1.030) 1.404 9.099 ( -0.304 -0.221 0.405) 0.553 10.604 ( 3.029 -0.118 0.838) 3.145 10.631 ( 1.681 -0.415 0.253) 1.750 10.727 ( 0.984 -0.033 3.336) 3.478 10.768 ( 0.423 -0.677 -2.124) 2.269 11.008 ( 1.059 0.247 3.777) 3.930 11.090 ( -2.964 1.840 -1.275) 3.714 11.217 ( 1.666 -2.526 1.059) 3.206 11.233 ( -1.608 -1.767 -3.242) 4.027 11.482 ( -2.785 1.001 -2.052) 3.601 11.509 ( -0.839 0.596 -1.697) 1.985 11.871 ( -4.084 1.074 -0.384) 4.241 11.973 ( -6.758 -2.685 1.701) 7.468 12.171 ( 5.916 7.097 0.140) 9.241 12.368 ( 7.569 -4.571 -0.484) 8.855 12.760 ( -0.236 -2.312 1.915) 3.011 12.919 ( -2.632 4.840 2.526) 6.061 12.990 ( -4.844 0.379 0.232) 4.864 13.067 ( -0.533 -0.208 -2.082) 2.159 13.123 ( -1.731 -4.128 0.731) 4.535 13.298 ( -5.611 -1.877 -4.306) 7.317 13.510 ( -2.791 2.930 -0.410) 4.067 13.578 ( -5.150 1.859 -0.798) 5.533 13.659 ( 3.858 3.498 0.988) 5.300 13.858 ( 3.112 -0.525 4.519) 5.512 13.957 ( 2.085 -5.197 1.369) 5.764 14.319 ( 5.503 0.718 -5.562) 7.857 ======================= Grid point 61 (26/88) ======================= q-point: ( 0.43 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 2.158 -4.394 5.842) 7.622 1.618 ( -0.108 -4.145 -6.503) 7.712 1.680 ( 4.690 -0.011 -1.222) 4.847 1.779 ( -1.607 11.569 -3.368) 12.156 1.816 ( 5.553 -7.152 2.336) 9.351 1.906 ( 2.616 1.489 1.296) 3.278 2.073 ( 5.641 -1.065 -1.763) 6.005 2.184 ( 3.067 -7.011 1.636) 7.826 2.262 ( -0.209 -3.736 4.727) 6.029 2.324 ( 3.448 2.652 -6.157) 7.538 2.378 ( 6.057 5.548 -1.241) 8.307 2.496 ( -1.109 -0.150 1.796) 2.117 2.505 ( -0.427 -0.472 0.065) 0.640 2.558 ( 1.957 -1.595 -0.969) 2.704 2.641 ( -8.015 -5.351 -2.816) 10.040 2.658 ( -0.158 -4.583 -1.814) 4.932 2.807 ( -3.860 -2.854 4.255) 6.415 2.859 ( -7.682 -2.180 -2.764) 8.451 2.908 ( 3.102 -1.408 1.717) 3.815 3.000 ( -3.624 -0.781 2.353) 4.391 3.100 ( 3.847 -0.514 -1.749) 4.257 3.116 ( 3.566 1.751 -1.373) 4.204 3.271 ( 3.875 4.213 -0.235) 5.729 3.343 ( 1.379 -0.949 2.753) 3.222 3.359 ( -1.372 0.936 -1.144) 2.017 3.430 ( 1.939 -0.923 -4.053) 4.587 3.506 ( -0.196 0.664 3.114) 3.190 3.550 ( -0.574 0.639 2.727) 2.859 3.621 ( 0.477 0.892 -0.023) 1.012 3.705 ( -0.857 -0.422 -0.052) 0.957 3.723 ( -4.345 1.981 -0.741) 4.833 3.753 ( -2.015 3.450 2.988) 4.990 3.764 ( 0.697 -1.645 0.823) 1.967 3.887 ( -0.705 -0.083 3.176) 3.254 3.897 ( 3.668 -3.407 1.228) 5.155 3.940 ( -1.197 2.055 -1.739) 2.946 4.073 ( -3.586 -2.343 -2.049) 4.748 4.080 ( 0.053 -0.419 0.591) 0.726 4.173 ( 2.855 1.393 -0.117) 3.179 4.289 ( -1.490 2.404 -1.027) 3.009 4.337 ( -0.510 -0.263 0.058) 0.576 4.443 ( 2.075 2.862 6.598) 7.485 4.481 ( -0.012 3.776 -1.765) 4.168 4.536 ( 0.760 0.720 2.387) 2.606 4.609 ( -2.415 2.503 -1.158) 3.666 4.723 ( 1.324 0.570 -1.904) 2.388 4.761 ( -0.467 1.920 0.992) 2.211 4.812 ( 0.472 -5.594 -2.664) 6.214 4.895 ( -2.166 2.519 -4.277) 5.416 4.930 ( 3.166 -0.365 -1.517) 3.530 5.032 ( 1.834 1.313 -0.741) 2.374 5.052 ( 2.265 1.643 -3.180) 4.236 5.129 ( -1.204 -1.721 2.289) 3.107 5.193 ( -4.814 -3.509 -1.086) 6.055 5.293 ( -6.218 -2.736 0.210) 6.797 5.324 ( -2.239 -1.318 -0.933) 2.761 5.417 ( 0.674 -0.093 -2.043) 2.153 5.431 ( -3.043 1.462 3.267) 4.698 5.531 ( 1.812 4.398 -3.404) 5.849 5.671 ( 4.714 0.460 0.192) 4.740 5.703 ( -0.814 -1.337 -0.488) 1.639 5.752 ( 6.274 3.507 2.553) 7.627 5.835 ( -1.753 1.556 0.794) 2.475 5.916 ( 2.288 2.039 1.263) 3.315 5.954 ( 0.632 5.013 2.716) 5.736 6.012 ( -0.066 5.650 2.407) 6.141 6.029 ( -3.605 2.114 -1.261) 4.365 6.123 ( -1.751 1.925 -1.018) 2.794 6.273 ( 0.484 7.151 1.334) 7.290 6.292 ( 0.656 2.960 2.135) 3.708 6.403 ( -0.129 1.456 -2.481) 2.880 6.499 ( 3.349 -0.264 -2.800) 4.374 6.684 ( -3.614 -5.512 0.670) 6.625 6.838 ( 0.905 -5.718 0.500) 5.811 6.878 ( 1.520 -4.455 0.015) 4.707 6.996 ( -1.818 -8.824 -2.451) 9.337 7.146 ( -1.346 -1.071 0.183) 1.729 7.331 ( 3.338 -1.457 1.200) 3.834 8.898 ( -0.495 -0.599 0.370) 0.861 8.952 ( -0.084 -0.870 -0.999) 1.327 9.074 ( -0.034 0.842 0.970) 1.285 9.097 ( -0.315 0.217 -0.328) 0.504 10.629 ( 2.094 0.072 0.102) 2.097 10.651 ( 1.688 0.475 0.716) 1.894 10.744 ( -0.160 0.917 0.713) 1.173 10.789 ( 1.730 -1.704 1.229) 2.722 11.023 ( -0.981 1.816 0.075) 2.065 11.031 ( -0.268 1.588 0.690) 1.752 11.205 ( -2.229 -0.995 -3.580) 4.333 11.281 ( -0.288 -1.956 -0.537) 2.048 11.432 ( -2.747 -1.158 -1.171) 3.203 11.488 ( -0.449 0.343 -0.734) 0.926 11.854 ( -1.069 -0.491 1.169) 1.658 11.990 ( -4.372 -4.387 1.239) 6.316 12.108 ( 3.897 6.946 1.348) 8.078 12.458 ( 5.532 -0.626 -0.467) 5.587 12.805 ( -1.070 -2.115 1.387) 2.746 12.881 ( -1.120 0.014 2.381) 2.632 12.965 ( -3.875 -1.708 0.088) 4.236 13.046 ( -0.527 0.242 -0.370) 0.688 13.152 ( -1.612 2.240 0.055) 2.760 13.259 ( -4.616 -3.041 -1.413) 5.705 13.421 ( -8.062 -1.551 -4.143) 9.196 13.507 ( 3.083 4.967 -0.606) 5.878 13.670 ( 3.362 0.067 -1.589) 3.719 13.878 ( 1.772 2.484 3.296) 4.492 14.099 ( 2.747 -6.250 3.407) 7.630 14.299 ( 2.605 1.537 -3.739) 4.809 ======================= Grid point 62 (27/88) ======================= q-point: (-0.43 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -3.405 11.761 1.571) 12.344 1.588 ( 0.241 3.047 -0.498) 3.096 1.658 ( 0.782 6.051 -4.878) 7.812 1.702 ( -4.147 0.577 0.788) 4.260 1.797 ( 5.472 3.694 -0.198) 6.605 1.933 ( 2.542 -6.388 -2.017) 7.165 2.226 ( 4.836 -3.378 -4.285) 7.291 2.278 ( 6.417 -3.406 -3.127) 7.909 2.326 ( 5.746 0.382 4.933) 7.583 2.360 ( 1.409 -1.206 -1.016) 2.114 2.393 ( 4.258 -3.261 4.444) 6.965 2.477 ( 0.369 4.756 0.100) 4.772 2.516 ( -1.160 -4.531 -0.585) 4.714 2.574 ( 2.029 -2.456 -1.323) 3.450 2.637 ( -6.127 1.590 -1.181) 6.439 2.706 ( -1.552 -2.489 -0.014) 2.933 2.804 ( -4.515 -3.037 2.250) 5.888 2.883 ( -4.032 -6.031 1.296) 7.369 2.925 ( -3.360 -2.089 -0.422) 3.979 3.024 ( 1.601 -1.889 -5.669) 6.186 3.083 ( -2.797 8.134 0.725) 8.632 3.140 ( 4.427 1.392 4.071) 6.173 3.192 ( 0.789 4.375 -1.635) 4.736 3.286 ( -2.324 1.110 -1.198) 2.841 3.357 ( -5.777 0.161 -0.898) 5.849 3.435 ( 0.084 -1.691 0.967) 1.950 3.497 ( 1.820 4.131 0.492) 4.541 3.582 ( 4.318 0.242 2.293) 4.895 3.585 ( -1.338 4.180 1.555) 4.657 3.648 ( -2.988 0.407 2.863) 4.158 3.670 ( -3.316 -0.398 0.632) 3.399 3.727 ( -1.356 3.012 1.188) 3.510 3.766 ( 3.794 -2.083 0.199) 4.332 3.893 ( 0.323 -1.746 0.904) 1.992 3.939 ( -0.410 -0.197 -0.951) 1.054 4.014 ( 0.541 -4.242 2.509) 4.958 4.093 ( 0.758 1.162 -4.480) 4.690 4.147 ( 1.876 -1.193 -3.548) 4.187 4.184 ( 2.384 -7.578 -1.176) 8.030 4.285 ( 0.459 -2.883 3.466) 4.532 4.349 ( 4.322 2.304 0.136) 4.900 4.409 ( -0.910 1.808 -1.484) 2.510 4.476 ( 3.350 4.372 6.524) 8.538 4.533 ( -0.675 0.139 0.478) 0.839 4.587 ( -1.479 0.138 3.050) 3.392 4.696 ( 1.416 3.301 0.442) 3.620 4.733 ( -1.022 0.578 -1.008) 1.548 4.795 ( -1.998 3.193 -0.920) 3.877 4.879 ( -4.077 -6.103 -3.678) 8.210 4.952 ( 4.137 -0.529 -2.362) 4.793 4.973 ( 1.965 2.759 -5.568) 6.517 5.048 ( 2.522 0.198 -1.184) 2.793 5.137 ( -4.236 -2.414 -1.716) 5.169 5.171 ( -5.123 0.054 0.598) 5.158 5.222 ( -2.280 5.186 -2.974) 6.398 5.307 ( -3.918 -4.476 0.314) 5.957 5.403 ( -0.763 -2.212 -2.488) 3.415 5.469 ( 2.498 2.817 2.584) 4.566 5.533 ( 3.859 -2.545 1.380) 4.824 5.677 ( 0.387 0.707 0.673) 1.050 5.722 ( 2.107 5.233 1.132) 5.754 5.731 ( 0.866 -1.442 -1.397) 2.187 5.807 ( -1.444 0.785 0.219) 1.659 5.882 ( 0.202 5.074 1.597) 5.323 5.923 ( -1.880 6.108 4.124) 7.606 5.994 ( 1.930 -0.417 1.515) 2.489 6.012 ( -0.231 -4.214 -0.045) 4.221 6.094 ( -0.878 -0.204 -0.887) 1.265 6.173 ( 0.952 5.409 -0.428) 5.509 6.292 ( -1.697 -0.239 0.880) 1.926 6.349 ( -0.045 2.445 -1.368) 2.802 6.518 ( 3.693 -0.904 -2.592) 4.601 6.722 ( -2.699 -2.313 0.826) 3.649 6.908 ( 1.342 -1.635 0.358) 2.145 6.927 ( 0.349 -1.349 -0.221) 1.410 7.065 ( 0.865 -3.821 -3.854) 5.495 7.176 ( -2.141 -3.258 2.892) 4.854 7.365 ( 1.556 0.803 0.403) 1.797 8.908 ( -0.479 -0.761 0.412) 0.989 8.963 ( 0.094 -1.179 -0.056) 1.185 9.070 ( 0.124 0.710 0.726) 1.023 9.085 ( -0.178 0.414 -0.785) 0.905 10.639 ( 0.957 0.199 -0.034) 0.978 10.652 ( 0.607 1.489 0.780) 1.787 10.720 ( -0.805 1.763 -0.299) 1.961 10.840 ( 1.329 -1.231 1.712) 2.493 10.978 ( -0.353 1.704 -0.638) 1.853 11.022 ( -0.379 0.915 0.620) 1.168 11.176 ( -0.524 -0.199 -2.240) 2.309 11.259 ( -2.964 0.468 -1.702) 3.450 11.447 ( -0.742 -1.397 0.286) 1.608 11.488 ( 0.233 -1.279 -0.181) 1.313 11.873 ( -0.364 -1.578 0.962) 1.884 12.021 ( 1.685 0.832 -1.415) 2.353 12.090 ( -1.408 -1.770 4.873) 5.372 12.471 ( 4.175 2.822 -1.730) 5.327 12.834 ( -1.055 -2.010 1.156) 2.547 12.912 ( -1.020 -2.563 1.467) 3.124 12.976 ( -2.864 -2.134 0.597) 3.622 13.046 ( -3.225 5.862 0.689) 6.726 13.060 ( -0.246 -1.549 1.756) 2.355 13.282 ( -1.940 -3.485 -1.139) 4.148 13.384 ( -3.498 -3.110 -3.080) 5.603 13.467 ( 2.303 2.581 -1.382) 3.725 13.677 ( 5.490 0.902 -4.186) 6.962 13.883 ( -2.142 0.519 4.456) 4.972 14.202 ( 3.972 1.369 2.560) 4.920 14.268 ( -0.377 -1.574 -3.244) 3.625 ======================= Grid point 63 (28/88) ======================= q-point: (-0.29 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -3.572 17.367 15.286) 23.410 1.350 ( -1.943 23.839 3.686) 24.201 1.572 ( 0.576 0.441 -0.478) 0.869 1.754 ( 0.674 -8.701 -9.347) 12.788 1.844 ( 7.230 -0.972 -3.215) 7.972 2.018 ( -1.042 -5.094 -2.539) 5.786 2.159 ( -3.289 26.155 0.899) 26.377 2.208 ( 1.771 -1.767 -9.342) 9.672 2.335 ( 2.179 7.014 1.939) 7.596 2.403 ( -3.774 3.115 1.481) 5.113 2.434 ( 3.452 -3.554 -1.185) 5.094 2.495 ( 8.486 -2.118 4.009) 9.621 2.524 ( -0.724 -1.665 -1.299) 2.232 2.567 ( 0.462 0.290 -4.964) 4.994 2.647 ( -1.559 -4.095 -1.182) 4.539 2.743 ( -0.460 -3.012 0.461) 3.082 2.793 ( -11.337 -1.593 3.031) 11.842 2.845 ( 0.015 -3.250 -1.953) 3.791 2.972 ( -2.038 -1.141 -1.112) 2.587 3.003 ( -2.542 -4.843 4.898) 7.342 3.070 ( 6.221 2.275 -4.937) 8.261 3.137 ( 1.726 0.237 3.293) 3.725 3.196 ( 0.963 0.406 -0.212) 1.066 3.314 ( 4.187 -1.676 0.729) 4.569 3.318 ( -2.453 -1.267 -1.111) 2.976 3.417 ( -4.644 1.287 0.745) 4.876 3.494 ( 0.689 -0.939 -0.676) 1.347 3.523 ( -5.669 0.488 1.669) 5.930 3.600 ( 0.665 -0.220 1.866) 1.993 3.661 ( -0.791 -1.322 0.894) 1.781 3.696 ( -0.625 0.183 2.680) 2.758 3.738 ( -0.754 -3.594 4.204) 5.582 3.793 ( 1.708 2.471 -0.947) 3.149 3.891 ( -2.872 3.257 -1.666) 4.651 3.941 ( 2.197 1.102 -2.002) 3.170 3.992 ( -0.838 1.164 -0.701) 1.597 4.112 ( 4.045 -0.530 -0.816) 4.160 4.137 ( 2.251 0.295 2.816) 3.617 4.263 ( -0.097 0.520 -1.392) 1.489 4.310 ( 2.341 2.450 -1.489) 3.702 4.364 ( 0.541 -1.833 -0.891) 2.108 4.435 ( 0.688 -4.087 -0.377) 4.161 4.471 ( 0.847 1.250 0.255) 1.531 4.531 ( -7.284 2.782 2.292) 8.127 4.536 ( 1.544 -2.338 0.328) 2.821 4.706 ( 0.417 -0.214 2.761) 2.801 4.739 ( 0.272 1.679 -0.972) 1.959 4.793 ( 2.938 -4.726 2.152) 5.966 4.869 ( -3.066 -0.574 -1.375) 3.409 4.941 ( 2.220 -0.130 -4.642) 5.147 4.976 ( 3.125 -0.151 -4.677) 5.627 5.051 ( 2.448 0.891 -0.138) 2.609 5.132 ( 0.969 -1.301 -0.566) 1.718 5.150 ( -2.150 -1.311 1.180) 2.781 5.175 ( -1.176 -1.724 2.286) 3.096 5.340 ( -0.160 -2.985 -8.103) 8.637 5.399 ( -1.976 -3.455 2.142) 4.520 5.507 ( 3.885 2.024 5.061) 6.694 5.564 ( 3.647 2.045 -1.263) 4.368 5.654 ( -1.904 4.006 1.128) 4.577 5.691 ( -1.139 -0.575 -0.314) 1.314 5.731 ( -1.694 -1.016 -0.905) 2.173 5.787 ( -1.664 0.817 0.950) 2.083 5.834 ( -0.890 1.001 0.369) 1.389 5.868 ( -2.691 2.913 4.461) 5.969 5.991 ( -0.544 1.027 -0.471) 1.254 6.091 ( 1.469 -1.712 -0.024) 2.256 6.113 ( 1.308 -2.649 -0.266) 2.966 6.150 ( -0.604 -4.496 0.267) 4.544 6.256 ( -2.567 -0.703 -4.935) 5.607 6.359 ( 1.962 0.496 5.714) 6.062 6.538 ( 3.081 -1.055 -3.304) 4.639 6.720 ( -1.692 1.674 1.743) 2.951 6.904 ( 0.894 2.936 -0.837) 3.181 6.935 ( -0.180 0.590 0.470) 0.776 7.074 ( 3.444 0.056 -4.035) 5.306 7.223 ( -2.888 -1.589 2.870) 4.371 7.337 ( 0.082 3.278 -0.597) 3.333 8.916 ( -0.277 -0.630 -0.217) 0.722 8.987 ( 0.106 -1.373 0.874) 1.631 9.056 ( -0.415 0.810 -0.931) 1.302 9.080 ( 0.461 0.215 0.488) 0.705 10.626 ( -0.429 2.039 -0.187) 2.092 10.645 ( 0.356 0.370 1.190) 1.296 10.679 ( -1.166 2.087 -0.419) 2.427 10.859 ( -0.293 0.147 0.065) 0.334 10.955 ( 0.005 1.165 0.027) 1.166 11.023 ( 0.003 -0.706 1.437) 1.601 11.176 ( 2.345 1.140 0.113) 2.610 11.222 ( -1.590 -0.261 0.574) 1.711 11.452 ( -0.383 0.043 0.369) 0.534 11.528 ( 0.571 -3.663 -0.915) 3.818 11.906 ( -0.735 -3.069 -0.607) 3.214 11.999 ( 2.556 2.673 -0.467) 3.728 12.155 ( -3.944 -3.715 3.342) 6.366 12.426 ( 3.826 4.232 -4.050) 6.997 12.863 ( -1.307 -0.751 1.885) 2.414 12.909 ( -3.787 4.692 2.377) 6.482 12.960 ( -0.036 -3.269 0.390) 3.293 13.049 ( -0.706 -4.827 0.492) 4.903 13.109 ( -1.091 -2.647 3.756) 4.723 13.305 ( -0.555 -1.769 0.154) 1.861 13.389 ( 0.746 -0.979 -1.719) 2.115 13.446 ( 1.980 0.814 -1.520) 2.626 13.674 ( 6.449 0.848 -5.396) 8.451 13.889 ( -5.406 -0.681 4.048) 6.788 14.147 ( 0.218 6.750 -0.648) 6.784 14.299 ( 1.359 -2.216 -2.580) 3.663 ======================= Grid point 64 (29/88) ======================= q-point: (-0.14 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -1.623 23.546 12.926) 26.910 1.052 ( -3.119 17.445 22.665) 28.771 1.590 ( 4.232 2.404 0.995) 4.968 1.617 ( 7.032 30.528 11.188) 33.265 1.880 ( -0.498 -0.986 -1.315) 1.718 1.910 ( 5.091 -5.728 -6.615) 10.123 2.043 ( 1.089 -3.481 -5.915) 6.949 2.182 ( 0.596 -0.274 -5.879) 5.915 2.192 ( -3.632 3.424 -8.057) 9.478 2.377 ( -1.583 3.167 -2.446) 4.303 2.409 ( -2.105 2.014 -0.082) 2.914 2.510 ( 0.850 -3.283 -4.877) 5.940 2.570 ( 3.110 -2.337 -1.693) 4.243 2.620 ( 5.072 0.860 -2.908) 5.910 2.685 ( -1.362 -3.599 -1.170) 4.022 2.732 ( -6.213 -3.649 -1.964) 7.468 2.813 ( -2.859 0.354 4.259) 5.142 2.912 ( 2.400 -4.429 2.825) 5.775 3.014 ( 1.036 -6.277 -2.771) 6.939 3.041 ( 2.604 2.042 -0.836) 3.413 3.058 ( 2.811 -0.510 -2.558) 3.835 3.126 ( -4.779 -1.751 -2.259) 5.568 3.216 ( 1.333 -0.166 6.414) 6.553 3.280 ( -4.321 0.001 -1.635) 4.620 3.331 ( -1.082 0.780 -1.429) 1.955 3.458 ( -4.272 -1.459 1.208) 4.673 3.480 ( 5.204 0.642 2.611) 5.858 3.528 ( -1.853 -1.560 3.581) 4.323 3.619 ( -1.124 -0.890 1.085) 1.798 3.671 ( 1.002 5.655 -1.060) 5.840 3.713 ( -0.016 3.200 -0.726) 3.281 3.751 ( 1.676 -0.849 1.801) 2.603 3.788 ( -1.949 0.995 3.214) 3.888 3.849 ( 0.872 -4.602 2.065) 5.119 3.865 ( 0.784 1.262 -1.582) 2.170 4.035 ( -4.650 -2.009 2.500) 5.649 4.067 ( -1.264 5.186 -0.797) 5.397 4.126 ( -0.499 1.585 -2.441) 2.953 4.249 ( 0.564 3.041 -2.181) 3.784 4.295 ( -0.311 -1.460 3.314) 3.635 4.368 ( 2.226 -0.152 -2.434) 3.302 4.453 ( -6.149 2.210 3.922) 7.620 4.495 ( -0.805 -4.451 0.371) 4.538 4.527 ( 2.716 -1.296 1.212) 3.244 4.596 ( 5.923 -0.632 -2.042) 6.297 4.704 ( -1.325 -0.770 -0.548) 1.628 4.750 ( -2.554 -3.914 2.390) 5.249 4.840 ( 3.317 1.946 -2.123) 4.393 4.877 ( -2.578 1.487 -0.784) 3.078 4.912 ( 0.410 -3.490 -1.820) 3.958 4.943 ( 4.901 1.860 -5.248) 7.417 5.065 ( 0.888 0.232 0.812) 1.225 5.185 ( 4.695 0.230 5.379) 7.143 5.232 ( 2.613 -1.734 3.384) 4.614 5.237 ( -0.271 -7.639 -1.455) 7.781 5.300 ( 0.521 -1.181 -7.915) 8.019 5.436 ( -2.433 -0.233 0.639) 2.526 5.508 ( 0.619 3.044 0.994) 3.262 5.540 ( -1.905 3.921 0.169) 4.362 5.636 ( 4.258 -1.236 1.707) 4.751 5.672 ( -0.507 -0.111 -1.227) 1.333 5.736 ( -3.107 -1.584 1.219) 3.695 5.788 ( -1.356 -2.672 2.227) 3.733 5.833 ( -1.257 -1.959 -0.836) 2.473 5.864 ( -1.957 -0.620 3.817) 4.334 5.978 ( -1.941 -0.855 1.629) 2.675 6.135 ( 2.036 -4.269 -1.002) 4.835 6.163 ( 2.184 -1.024 2.713) 3.630 6.221 ( -1.809 -2.021 -2.189) 3.485 6.265 ( 0.003 -8.074 -0.082) 8.074 6.407 ( -1.391 -1.322 1.768) 2.609 6.555 ( 2.489 -1.572 -3.041) 4.233 6.667 ( -1.223 5.756 2.114) 6.253 6.836 ( 0.709 5.858 -1.044) 5.992 6.899 ( -1.893 3.339 -0.367) 3.856 7.075 ( 5.993 1.341 -3.993) 7.326 7.192 ( -5.679 2.864 1.001) 6.438 7.285 ( 2.194 3.792 -0.467) 4.406 8.918 ( -0.200 -0.403 -0.792) 0.911 9.006 ( 0.109 -0.109 -0.892) 0.905 9.041 ( -0.503 -0.463 0.620) 0.923 9.087 ( 0.365 0.229 0.860) 0.961 10.588 ( 0.002 2.213 -0.291) 2.232 10.638 ( -1.338 1.290 -0.011) 1.858 10.657 ( 0.250 0.206 1.763) 1.792 10.841 ( -0.763 0.667 -1.602) 1.895 10.943 ( 0.030 0.931 0.889) 1.288 11.067 ( -0.311 -2.982 3.102) 4.314 11.158 ( 1.111 2.484 1.153) 2.955 11.274 ( 3.246 -1.853 2.748) 4.639 11.457 ( 1.048 0.131 0.970) 1.434 11.568 ( -0.667 -3.611 -3.703) 5.215 11.930 ( -2.038 -2.655 -1.086) 3.518 11.989 ( 2.730 0.717 -0.136) 2.825 12.165 ( -6.222 -0.501 1.539) 6.429 12.355 ( 4.412 4.845 -5.415) 8.501 12.798 ( -2.162 5.659 2.196) 6.443 12.917 ( -6.532 -4.890 1.907) 8.380 13.011 ( 0.485 -2.754 0.798) 2.908 13.128 ( 1.033 -4.059 0.230) 4.195 13.169 ( -3.204 -3.438 2.335) 5.248 13.337 ( 1.033 -1.104 2.719) 3.111 13.402 ( 2.669 -1.270 -1.078) 3.146 13.470 ( 6.008 0.260 3.066) 6.750 13.673 ( 5.259 0.285 -5.784) 7.822 13.871 ( -7.580 -1.253 1.796) 7.890 14.019 ( -2.314 8.133 -0.830) 8.496 14.297 ( 4.659 1.492 -5.016) 7.007 ======================= Grid point 67 (30/88) ======================= q-point: ( 0.29 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 8.893 -0.000 8.713) 12.450 1.527 ( 13.698 -0.000 11.314) 17.766 1.590 ( 8.807 -0.000 -13.154) 15.830 1.610 ( 10.435 -0.000 -12.065) 15.951 1.843 ( -5.438 0.000 4.839) 7.279 1.993 ( -1.868 0.000 -2.067) 2.786 2.089 ( -0.262 0.000 4.506) 4.513 2.093 ( -0.136 0.000 -6.173) 6.175 2.183 ( -3.749 0.000 2.259) 4.377 2.376 ( 5.273 -0.000 2.252) 5.733 2.400 ( -7.631 0.000 -3.773) 8.513 2.423 ( -8.317 0.000 3.812) 9.149 2.508 ( 4.417 -0.000 -6.214) 7.624 2.549 ( 7.185 -0.000 -3.847) 8.150 2.589 ( -0.274 0.000 1.491) 1.516 2.674 ( -5.334 0.000 -0.255) 5.340 2.758 ( -6.483 0.000 -4.263) 7.759 2.854 ( 7.360 -0.000 6.824) 10.037 2.955 ( -2.200 0.000 -0.745) 2.323 3.012 ( 1.661 -0.000 2.718) 3.186 3.026 ( -6.283 0.000 4.683) 7.837 3.264 ( 2.995 -0.000 -1.614) 3.402 3.273 ( 3.840 -0.000 -10.610) 11.284 3.316 ( 2.160 -0.000 -1.192) 2.468 3.329 ( 0.930 -0.000 -3.299) 3.428 3.419 ( 4.904 -0.000 1.891) 5.256 3.517 ( 0.346 -0.000 5.857) 5.867 3.552 ( -5.200 0.000 -1.128) 5.321 3.571 ( 5.037 -0.000 0.411) 5.053 3.601 ( -0.361 0.000 1.959) 1.992 3.692 ( -2.639 0.000 -2.172) 3.418 3.700 ( 2.314 -0.000 -2.007) 3.063 3.797 ( 0.033 -0.000 -1.269) 1.269 3.833 ( -3.650 0.000 0.531) 3.688 3.923 ( 2.371 -0.000 9.721) 10.006 4.012 ( -1.842 0.000 4.748) 5.093 4.153 ( -3.917 0.000 -2.017) 4.405 4.176 ( -1.634 0.000 2.709) 3.163 4.212 ( 1.697 -0.000 -5.434) 5.693 4.311 ( -5.470 0.000 3.745) 6.629 4.418 ( 0.991 -0.000 -1.149) 1.517 4.445 ( 5.503 -0.000 0.433) 5.520 4.543 ( -9.575 0.000 -1.355) 9.670 4.565 ( 4.938 -0.000 -0.558) 4.969 4.571 ( 1.286 -0.000 1.236) 1.784 4.676 ( -1.287 0.000 0.306) 1.323 4.749 ( -0.213 0.000 -1.878) 1.890 4.801 ( -2.854 0.000 -5.559) 6.248 4.945 ( 2.274 -0.000 -4.044) 4.640 5.002 ( 1.005 -0.000 -0.889) 1.341 5.010 ( 0.874 -0.000 -0.452) 0.984 5.068 ( 4.309 -0.000 2.531) 4.997 5.069 ( -0.192 0.000 -0.040) 0.196 5.115 ( -1.726 0.000 0.946) 1.969 5.240 ( 1.734 -0.000 -4.395) 4.725 5.287 ( -7.861 0.000 5.474) 9.579 5.393 ( -1.697 0.000 5.728) 5.974 5.545 ( -5.051 0.000 -3.273) 6.019 5.569 ( 4.401 -0.000 0.208) 4.406 5.695 ( -1.735 0.000 -0.361) 1.772 5.697 ( 2.165 -0.000 -5.241) 5.671 5.787 ( 9.630 -0.000 4.276) 10.536 5.840 ( -1.238 0.000 -2.714) 2.983 6.021 ( 3.047 -0.000 4.915) 5.783 6.040 ( -5.290 0.000 -0.216) 5.294 6.088 ( -3.713 0.000 4.641) 5.943 6.150 ( -0.451 0.000 -2.198) 2.244 6.280 ( 0.351 -0.000 -3.808) 3.825 6.317 ( 1.675 -0.000 4.042) 4.375 6.379 ( -3.937 0.000 -3.155) 5.045 6.387 ( 1.922 -0.000 -0.237) 1.937 6.549 ( -0.948 0.000 0.512) 1.077 6.619 ( 3.315 -0.000 1.903) 3.823 6.680 ( 1.100 -0.000 -2.981) 3.178 6.721 ( 0.279 -0.000 1.244) 1.275 6.769 ( -2.324 0.000 -0.921) 2.500 7.128 ( -2.649 0.000 -1.093) 2.865 7.301 ( 5.584 -0.000 1.836) 5.878 8.889 ( -0.425 0.000 0.192) 0.466 8.937 ( -0.168 0.000 -1.022) 1.035 9.092 ( -0.329 0.000 0.327) 0.464 9.096 ( -0.397 0.000 0.347) 0.527 10.642 ( 2.149 -0.000 -0.396) 2.185 10.648 ( 4.200 -0.000 1.622) 4.502 10.754 ( 0.480 -0.000 -1.283) 1.370 10.761 ( 1.098 -0.000 3.275) 3.454 11.057 ( 1.714 -0.000 4.195) 4.532 11.065 ( -2.582 0.000 -1.996) 3.263 11.187 ( -1.194 0.000 -2.185) 2.490 11.211 ( 0.792 -0.000 0.816) 1.138 11.423 ( -6.368 0.000 -5.055) 8.131 11.496 ( -0.542 0.000 -1.121) 1.245 11.842 ( -2.214 0.000 -0.862) 2.376 11.919 ( -4.612 0.000 1.663) 4.903 12.291 ( 3.776 -0.000 0.331) 3.790 12.377 ( 8.513 -0.000 -0.700) 8.542 12.758 ( -0.357 0.000 2.791) 2.814 12.952 ( -4.189 0.000 0.836) 4.272 12.993 ( -6.349 0.000 5.397) 8.333 13.046 ( 3.196 -0.000 -0.994) 3.347 13.054 ( -2.147 0.000 -1.716) 2.748 13.201 ( -4.626 0.000 -4.025) 6.132 13.435 ( -10.564 0.000 -3.230) 11.047 13.599 ( 2.677 -0.000 0.809) 2.796 13.802 ( -0.114 0.000 2.849) 2.851 13.837 ( 5.016 -0.000 3.194) 5.947 13.945 ( 1.742 -0.000 -0.991) 2.004 14.326 ( 4.385 -0.000 -4.562) 6.328 ======================= Grid point 68 (31/88) ======================= q-point: ( 0.43 0.29 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 5.365 3.605 -5.379) 8.409 1.572 ( 8.099 1.344 -2.984) 8.735 1.696 ( 9.531 -3.648 -2.756) 10.570 1.769 ( 4.624 -6.837 -1.824) 8.453 1.860 ( -2.830 0.838 0.622) 3.017 1.943 ( 4.719 0.151 -0.839) 4.795 2.085 ( -2.793 1.361 4.342) 5.339 2.118 ( 4.152 -5.013 1.442) 6.667 2.235 ( -0.590 -5.641 6.152) 8.368 2.299 ( -7.500 -0.799 -2.903) 8.082 2.355 ( -0.914 -0.044 -4.393) 4.488 2.477 ( -0.466 -3.743 -2.979) 4.807 2.515 ( -2.254 1.297 -2.223) 3.422 2.543 ( 1.793 -3.123 1.997) 4.118 2.597 ( -0.716 3.268 3.159) 4.601 2.637 ( 0.166 -1.668 1.043) 1.975 2.715 ( -6.127 -3.319 -1.402) 7.108 2.849 ( -0.478 8.241 2.597) 8.654 2.894 ( -2.313 -0.462 -0.556) 2.423 3.041 ( 0.353 3.666 1.352) 3.923 3.122 ( 0.047 -5.105 6.298) 8.108 3.130 ( 4.365 4.693 -5.849) 8.677 3.315 ( 0.014 0.843 -0.442) 0.952 3.329 ( 5.743 -2.562 -0.755) 6.334 3.399 ( 3.852 -3.243 -3.686) 6.240 3.435 ( 0.802 4.764 0.516) 4.859 3.507 ( -1.874 -1.812 1.319) 2.922 3.532 ( -0.930 -1.742 -0.724) 2.103 3.631 ( 1.517 -2.040 1.343) 2.875 3.658 ( -0.592 -2.148 -0.036) 2.228 3.717 ( 1.826 -3.936 -1.982) 4.770 3.725 ( -3.654 1.129 -0.739) 3.895 3.758 ( 3.063 -7.210 3.435) 8.554 3.844 ( 1.535 0.001 0.251) 1.556 3.958 ( -0.665 4.290 4.599) 6.324 4.015 ( -5.026 8.954 -2.997) 10.697 4.070 ( 1.484 -0.800 1.387) 2.183 4.101 ( -4.586 8.121 0.606) 9.346 4.218 ( 3.869 -1.133 0.652) 4.084 4.292 ( -3.397 0.932 0.616) 3.576 4.327 ( -2.405 1.105 0.624) 2.719 4.491 ( -3.516 0.553 1.206) 3.758 4.530 ( 3.224 -0.859 -1.455) 3.640 4.582 ( -0.077 -2.785 -1.406) 3.121 4.591 ( 1.382 1.330 -0.688) 2.037 4.692 ( -0.271 1.454 0.608) 1.599 4.721 ( 0.505 -2.960 -1.426) 3.324 4.755 ( -0.951 -1.083 -3.520) 3.803 4.908 ( -1.550 4.058 -3.898) 5.836 4.954 ( 2.834 0.271 -2.039) 3.502 5.026 ( -0.566 -1.232 -1.569) 2.074 5.060 ( -0.486 -0.146 0.333) 0.607 5.095 ( 1.849 0.674 -0.694) 2.087 5.193 ( 4.266 -1.772 2.854) 5.430 5.246 ( -7.799 1.037 3.838) 8.754 5.256 ( 1.254 -2.137 -2.323) 3.396 5.424 ( -1.835 0.691 -0.506) 2.024 5.448 ( -4.003 1.718 2.163) 4.864 5.574 ( 0.765 2.702 -1.104) 3.017 5.677 ( -0.781 -0.737 -0.367) 1.135 5.692 ( 0.992 -0.951 0.295) 1.406 5.821 ( 1.357 0.616 -1.884) 2.403 5.882 ( 7.599 0.817 1.961) 7.890 5.983 ( -0.810 4.265 0.145) 4.344 6.038 ( -2.284 2.877 1.305) 3.898 6.054 ( -0.684 2.658 2.704) 3.853 6.087 ( 0.045 6.512 1.952) 6.799 6.191 ( 0.386 6.030 -1.911) 6.338 6.301 ( -3.219 1.240 0.196) 3.455 6.393 ( 0.566 -0.726 -0.144) 0.932 6.422 ( 2.193 2.913 0.066) 3.647 6.507 ( 0.725 3.617 -2.935) 4.714 6.581 ( -2.984 -3.699 0.786) 4.817 6.735 ( 1.100 -6.456 -0.945) 6.617 6.813 ( 0.207 -5.845 -0.004) 5.849 6.836 ( -0.152 -8.916 -0.473) 8.930 7.113 ( -1.839 -1.370 0.096) 2.295 7.361 ( 4.024 -0.357 1.477) 4.302 8.891 ( -0.450 -0.291 0.816) 0.976 8.935 ( 0.039 -0.555 -0.394) 0.682 9.087 ( -0.161 0.388 0.281) 0.505 9.093 ( -0.403 0.111 -0.399) 0.578 10.651 ( 2.094 0.535 -0.435) 2.205 10.688 ( 2.793 0.675 1.293) 3.150 10.747 ( 0.301 0.259 -1.415) 1.470 10.797 ( 0.366 -1.038 2.368) 2.611 11.025 ( -1.153 1.011 -1.950) 2.481 11.071 ( 0.189 2.329 1.505) 2.780 11.172 ( -0.212 0.351 -0.195) 0.454 11.253 ( 0.446 -1.759 0.589) 1.908 11.348 ( -4.854 -3.801 -3.123) 6.911 11.485 ( -0.101 0.301 -0.290) 0.430 11.835 ( -0.548 -1.132 -0.508) 1.357 11.912 ( -3.445 -2.148 0.826) 4.143 12.254 ( 3.196 6.957 0.623) 7.681 12.468 ( 5.343 -3.139 -1.408) 6.355 12.789 ( -1.146 -1.039 3.544) 3.867 12.918 ( -2.562 3.601 1.591) 4.697 12.930 ( -3.361 0.315 2.354) 4.115 13.033 ( -1.704 -0.550 -1.013) 2.057 13.135 ( 2.148 -4.721 0.653) 5.227 13.168 ( -3.862 -2.439 0.015) 4.568 13.322 ( -7.641 1.326 -2.894) 8.278 13.605 ( 1.951 3.236 -0.394) 3.799 13.709 ( 1.655 5.371 -0.863) 5.686 13.936 ( 1.081 1.875 0.076) 2.166 14.013 ( 1.534 -9.765 1.363) 9.978 14.321 ( 3.219 1.199 -2.530) 4.266 ======================= Grid point 69 (32/88) ======================= q-point: (-0.43 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 2.055 -0.863 -8.285) 8.580 1.578 ( 0.098 1.206 -1.190) 1.697 1.746 ( -0.258 2.248 -1.366) 2.643 1.775 ( 2.696 5.948 1.744) 6.759 1.859 ( 5.417 -3.445 -2.611) 6.931 1.887 ( -1.882 5.170 -0.019) 5.502 2.185 ( 0.436 -0.307 -4.369) 4.401 2.237 ( 2.923 -5.219 -1.141) 6.089 2.289 ( 5.103 -9.597 0.441) 10.878 2.356 ( 1.594 -4.324 1.848) 4.965 2.424 ( -2.189 -3.000 2.775) 4.635 2.470 ( 1.706 1.056 2.022) 2.849 2.483 ( -1.845 -3.148 2.119) 4.219 2.554 ( -3.271 1.203 -4.591) 5.764 2.623 ( -1.611 -4.978 0.054) 5.232 2.662 ( 7.188 0.136 -0.056) 7.190 2.744 ( -2.259 -0.573 3.198) 3.957 2.815 ( -1.910 -2.357 7.436) 8.031 2.883 ( -5.718 -2.830 0.224) 6.384 2.957 ( 0.720 3.288 -0.068) 3.366 3.102 ( 0.936 -0.529 -6.269) 6.361 3.226 ( 1.274 -1.515 5.250) 5.611 3.272 ( 0.285 2.420 -0.364) 2.464 3.334 ( 0.699 6.915 1.413) 7.093 3.386 ( -0.873 5.884 0.040) 5.948 3.421 ( 1.971 -1.188 -2.336) 3.279 3.509 ( -1.772 0.251 -0.568) 1.878 3.587 ( -0.450 -3.993 0.182) 4.022 3.654 ( 2.999 -0.738 -2.954) 4.274 3.661 ( -1.380 3.540 -3.152) 4.936 3.671 ( -0.991 1.656 1.626) 2.524 3.753 ( -0.904 1.540 1.036) 2.065 3.798 ( -2.047 4.624 0.816) 5.122 3.879 ( -1.488 -1.224 -1.667) 2.548 3.907 ( -3.264 -5.965 -2.239) 7.159 3.939 ( 0.551 2.699 -0.189) 2.761 4.013 ( 3.371 -7.592 5.504) 9.965 4.088 ( 1.424 -0.065 -1.280) 1.916 4.216 ( 1.025 3.212 -2.367) 4.120 4.296 ( -0.866 -0.016 2.976) 3.100 4.341 ( -1.344 -2.571 1.757) 3.391 4.429 ( -2.354 2.580 -3.233) 4.760 4.527 ( -1.594 0.653 -2.111) 2.725 4.602 ( -2.626 -2.459 -2.497) 4.379 4.620 ( -2.849 3.368 -2.507) 5.074 4.647 ( 5.842 -0.561 5.342) 7.936 4.735 ( 1.113 0.192 -0.431) 1.209 4.803 ( 1.171 -3.036 0.933) 3.385 4.833 ( 1.752 1.967 1.522) 3.042 4.950 ( 1.898 2.101 -3.060) 4.169 4.998 ( 1.784 2.022 -3.804) 4.663 5.061 ( -0.021 0.122 -1.105) 1.112 5.094 ( 0.174 0.540 1.311) 1.429 5.188 ( -2.641 1.218 -5.082) 5.856 5.227 ( -2.871 -1.101 3.241) 4.467 5.246 ( 3.139 1.569 -0.777) 3.594 5.372 ( -2.060 2.026 2.165) 3.611 5.489 ( -0.927 -4.522 -0.545) 4.648 5.559 ( 1.514 1.319 4.988) 5.377 5.683 ( -1.425 -0.260 2.220) 2.650 5.726 ( 2.511 -0.418 -0.681) 2.635 5.802 ( 0.665 1.470 -1.307) 2.076 5.866 ( 3.424 7.535 -1.275) 8.374 5.941 ( 0.640 -0.313 -2.283) 2.392 5.993 ( -3.797 5.268 1.950) 6.780 6.005 ( -2.254 1.693 1.425) 3.159 6.024 ( 0.297 4.161 3.387) 5.373 6.112 ( 0.067 3.260 0.124) 3.263 6.238 ( -1.969 1.785 -3.837) 4.668 6.306 ( 0.168 8.456 -0.686) 8.485 6.399 ( 1.033 1.454 2.480) 3.055 6.500 ( 2.842 -1.368 -4.041) 5.126 6.651 ( -1.812 -5.640 1.555) 6.124 6.853 ( 1.368 -7.147 -1.072) 7.355 6.890 ( -0.350 -3.874 0.179) 3.893 6.947 ( -0.146 -7.577 -1.470) 7.720 7.142 ( -0.706 -2.736 1.846) 3.375 7.387 ( 0.723 0.395 0.044) 0.825 8.900 ( -0.437 -0.384 0.976) 1.136 8.949 ( 0.244 -1.054 0.465) 1.178 9.078 ( -0.507 0.571 -0.829) 1.127 9.086 ( 0.222 0.172 0.010) 0.281 10.654 ( 1.222 0.597 -0.011) 1.360 10.688 ( 0.351 1.824 0.584) 1.947 10.727 ( -0.129 0.893 -1.897) 2.101 10.831 ( -0.808 -1.892 0.672) 2.164 10.992 ( 0.128 1.112 -1.197) 1.638 11.035 ( -0.895 1.719 -0.361) 1.971 11.174 ( 0.958 -0.167 1.178) 1.527 11.251 ( 0.410 0.812 0.396) 0.993 11.406 ( -0.644 -4.278 0.689) 4.381 11.481 ( 0.239 0.231 0.353) 0.485 11.846 ( -0.886 -1.343 -0.720) 1.763 11.945 ( -1.994 -5.024 -0.778) 5.461 12.175 ( 0.634 6.287 1.774) 6.563 12.508 ( 2.783 0.184 -2.839) 3.980 12.815 ( -1.149 -0.772 2.896) 3.210 12.892 ( -0.988 -0.044 1.689) 1.957 12.938 ( -2.272 -1.842 2.889) 4.111 13.033 ( -1.795 -1.656 0.028) 2.442 13.142 ( -1.050 5.649 3.646) 6.805 13.217 ( 0.583 -3.290 -0.115) 3.343 13.285 ( -1.060 -5.114 -1.281) 5.378 13.533 ( 1.226 5.300 -1.308) 5.595 13.683 ( 2.655 -0.147 -3.731) 4.582 13.907 ( -1.523 1.873 0.792) 2.541 14.151 ( -0.537 -7.446 -1.012) 7.534 14.301 ( 2.763 3.143 -0.595) 4.227 ======================= Grid point 70 (33/88) ======================= q-point: (-0.29 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 0.483 -1.863 -3.220) 3.751 1.540 ( -2.523 -1.295 -3.132) 4.225 1.653 ( -1.226 13.719 5.172) 14.713 1.671 ( 3.334 5.427 0.552) 6.393 1.847 ( 1.464 0.545 -3.995) 4.289 1.966 ( 2.607 -2.675 2.590) 4.545 2.112 ( 2.255 -0.719 -9.888) 10.167 2.312 ( 2.509 -4.732 -4.106) 6.749 2.359 ( -2.209 6.315 -5.530) 8.679 2.418 ( -1.497 -2.067 1.238) 2.837 2.453 ( -0.663 -1.813 1.820) 2.654 2.478 ( -2.202 -3.814 3.348) 5.532 2.518 ( 1.332 2.347 0.305) 2.716 2.543 ( -2.749 -2.819 4.137) 5.711 2.672 ( 2.564 1.557 -0.571) 3.053 2.708 ( 0.646 -2.896 1.422) 3.290 2.791 ( 3.740 -1.336 -1.426) 4.220 2.826 ( -1.070 3.864 1.502) 4.281 2.941 ( -1.027 -5.491 2.632) 6.175 3.004 ( -3.054 3.525 -4.548) 6.514 3.024 ( 4.246 -0.815 2.568) 5.029 3.209 ( -0.409 5.375 2.255) 5.844 3.236 ( 4.038 2.320 0.601) 4.695 3.278 ( -2.848 2.025 2.496) 4.295 3.317 ( 0.974 -1.230 -0.570) 1.669 3.418 ( -2.516 1.570 1.218) 3.206 3.483 ( -0.381 -0.066 -2.580) 2.609 3.521 ( -3.349 -0.129 1.042) 3.510 3.603 ( 0.297 2.249 -0.357) 2.297 3.647 ( -0.897 -0.316 0.624) 1.137 3.699 ( -1.635 -0.821 2.211) 2.870 3.750 ( -1.802 1.148 3.641) 4.222 3.798 ( -1.937 -0.033 -1.891) 2.707 3.878 ( -0.338 -1.856 -1.017) 2.143 3.927 ( 2.709 -3.774 -2.312) 5.189 3.967 ( -1.448 -1.876 -1.244) 2.676 4.118 ( 1.205 -1.816 -1.733) 2.785 4.163 ( 3.010 0.109 -0.924) 3.151 4.201 ( 2.713 -6.042 0.235) 6.628 4.295 ( -2.683 -0.383 0.803) 2.827 4.358 ( -2.910 -0.855 -2.567) 3.974 4.384 ( -1.269 -2.467 -0.813) 2.891 4.473 ( -2.170 2.620 -2.669) 4.324 4.504 ( -2.886 2.595 -2.340) 4.532 4.575 ( -2.599 0.124 0.740) 2.705 4.686 ( 0.449 2.005 -1.670) 2.647 4.749 ( 0.719 -0.529 2.712) 2.855 4.832 ( 3.387 5.033 0.871) 6.128 4.879 ( 1.862 -1.261 0.323) 2.272 4.924 ( 3.008 -1.734 -1.833) 3.926 4.988 ( 5.359 1.083 0.271) 5.474 5.049 ( 1.394 -1.040 -2.622) 3.146 5.085 ( -0.899 -0.535 -1.508) 1.835 5.182 ( 2.373 -1.433 2.526) 3.751 5.243 ( 3.757 2.537 3.021) 5.448 5.280 ( 1.389 -0.849 1.641) 2.311 5.344 ( -2.387 -1.401 2.204) 3.538 5.523 ( -2.482 -2.635 -2.103) 4.186 5.621 ( 2.085 -0.803 6.147) 6.541 5.688 ( -0.740 0.748 0.895) 1.381 5.714 ( 0.345 1.581 -2.524) 2.998 5.739 ( 2.262 8.132 -3.157) 9.011 5.788 ( -1.552 1.312 0.529) 2.100 5.869 ( -3.310 4.462 0.425) 5.572 5.913 ( -5.173 2.527 1.284) 5.898 5.986 ( -1.300 1.390 -1.964) 2.735 6.022 ( -1.091 -3.568 -0.036) 3.731 6.100 ( 1.806 -0.372 -0.151) 1.850 6.170 ( 0.445 3.280 -0.080) 3.311 6.223 ( 0.116 1.657 -0.990) 1.934 6.412 ( 0.459 0.842 2.018) 2.235 6.512 ( 2.748 -1.454 -4.143) 5.180 6.721 ( -0.559 -2.485 2.630) 3.661 6.913 ( -0.468 -1.634 -0.584) 1.797 6.926 ( -0.335 -1.350 -0.595) 1.513 7.036 ( 2.934 -4.624 -2.762) 6.133 7.199 ( -1.248 -2.379 3.247) 4.214 7.366 ( -0.815 1.315 -1.125) 1.913 8.908 ( -0.296 -0.233 0.543) 0.661 8.976 ( 0.287 -1.316 1.184) 1.794 9.054 ( -0.646 0.761 -1.377) 1.700 9.089 ( 0.446 -0.012 0.157) 0.473 10.647 ( -0.219 1.288 -0.274) 1.335 10.668 ( -0.384 1.050 1.295) 1.710 10.689 ( -0.303 1.546 -1.940) 2.500 10.843 ( -1.573 -0.992 -0.591) 1.951 10.973 ( 0.481 1.071 -0.348) 1.225 11.017 ( -0.607 -0.485 -0.293) 0.830 11.220 ( 3.445 -1.257 3.165) 4.844 11.248 ( 1.946 2.475 2.161) 3.819 11.445 ( -0.401 -1.426 0.435) 1.544 11.491 ( 0.243 -0.881 0.160) 0.927 11.850 ( -1.439 -1.859 -1.464) 2.770 11.986 ( -0.913 -3.294 -3.424) 4.838 12.126 ( -2.922 1.487 3.691) 4.938 12.472 ( 1.384 2.720 -3.986) 5.021 12.837 ( -1.623 -0.424 2.434) 2.955 12.924 ( -0.658 -2.977 2.158) 3.735 12.989 ( -0.447 -3.175 2.241) 3.912 13.005 ( -0.907 4.620 0.490) 4.733 13.104 ( -0.864 0.364 3.745) 3.861 13.285 ( 1.852 -3.024 1.796) 3.975 13.356 ( 2.615 -2.994 -1.355) 4.200 13.484 ( 2.405 1.840 0.867) 3.150 13.676 ( 3.567 -0.387 -5.924) 6.926 13.868 ( -4.928 1.136 1.168) 5.191 14.182 ( -2.841 -0.352 -3.487) 4.512 14.285 ( 2.913 1.147 0.339) 3.149 ======================= Grid point 71 (34/88) ======================= q-point: (-0.14 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 0.001 8.160 3.997) 9.087 1.460 ( 1.161 17.262 17.689) 24.743 1.590 ( 3.255 -3.422 -0.520) 4.752 1.686 ( 6.710 -5.769 -5.509) 10.424 1.807 ( -6.356 -3.397 -4.252) 8.368 1.993 ( 4.743 0.079 -2.902) 5.561 2.075 ( 0.855 0.473 -11.016) 11.059 2.231 ( -0.735 7.750 6.064) 9.868 2.307 ( 2.235 9.176 -3.243) 9.986 2.356 ( -5.581 6.229 -2.505) 8.731 2.414 ( -2.935 -0.969 -1.403) 3.395 2.490 ( 3.571 0.797 2.141) 4.239 2.555 ( -3.258 -1.751 0.963) 3.823 2.576 ( 1.908 5.246 0.104) 5.583 2.588 ( -2.718 -2.458 -2.973) 4.719 2.709 ( 7.858 2.176 -1.289) 8.255 2.840 ( 2.458 -1.510 2.665) 3.927 2.874 ( 4.684 -5.729 -2.628) 7.852 2.961 ( -3.498 0.716 3.874) 5.268 3.006 ( 2.843 -3.736 -3.982) 6.155 3.048 ( 0.638 -1.427 -3.360) 3.706 3.137 ( -0.686 4.765 0.767) 4.875 3.216 ( -4.591 1.972 -0.680) 5.043 3.284 ( -0.358 -0.512 2.854) 2.922 3.357 ( -2.030 3.272 1.300) 4.064 3.407 ( 2.106 -4.623 2.975) 5.887 3.499 ( -3.184 -2.568 3.132) 5.152 3.553 ( 4.172 -0.591 1.458) 4.459 3.597 ( -3.352 0.714 1.233) 3.642 3.675 ( -0.426 -4.773 1.450) 5.007 3.718 ( -4.322 -3.812 2.444) 6.260 3.766 ( 2.134 0.852 -1.217) 2.600 3.776 ( -1.075 -3.415 2.436) 4.331 3.845 ( -0.632 6.241 -0.529) 6.295 3.907 ( 0.464 2.069 -3.019) 3.689 3.979 ( -3.226 -1.278 0.306) 3.483 4.076 ( -1.889 0.513 -1.178) 2.284 4.153 ( -1.579 4.615 -4.685) 6.763 4.255 ( -2.943 2.086 -3.266) 4.866 4.264 ( -1.793 -2.810 1.294) 3.576 4.376 ( -2.821 -4.448 0.164) 5.270 4.412 ( 3.531 0.402 1.309) 3.788 4.439 ( -1.450 -5.036 0.312) 5.250 4.537 ( 3.775 -2.093 0.201) 4.321 4.585 ( 1.109 -0.835 -0.775) 1.590 4.646 ( -0.692 -2.759 -2.887) 4.053 4.761 ( 1.436 1.950 -1.523) 2.861 4.808 ( -0.693 -2.307 0.816) 2.543 4.895 ( 2.775 2.094 1.591) 3.823 4.931 ( 0.354 3.743 -0.521) 3.796 4.961 ( 4.438 0.973 -4.806) 6.613 5.081 ( -0.369 -1.216 -1.906) 2.291 5.134 ( 2.409 -4.580 0.243) 5.181 5.245 ( 1.123 -0.996 -0.104) 1.505 5.280 ( 2.075 0.796 6.770) 7.125 5.304 ( 5.157 0.973 5.718) 7.761 5.412 ( -0.848 -1.893 1.987) 2.873 5.512 ( -0.684 -1.965 -2.137) 2.983 5.603 ( -0.456 6.675 -2.943) 7.309 5.636 ( -0.885 1.438 -3.163) 3.586 5.687 ( 0.799 0.188 2.511) 2.642 5.708 ( 0.568 -1.060 0.704) 1.394 5.769 ( -2.223 -0.234 1.580) 2.738 5.804 ( -2.935 1.301 -0.691) 3.284 5.867 ( -4.156 -1.755 2.811) 5.315 5.938 ( -0.865 0.581 -1.864) 2.136 6.065 ( -1.910 -4.420 -2.267) 5.322 6.132 ( 1.122 -3.100 -0.360) 3.316 6.203 ( 4.451 -2.260 3.917) 6.345 6.223 ( 0.557 -0.424 1.435) 1.596 6.384 ( -3.357 1.083 -2.812) 4.512 6.528 ( 2.602 -1.326 -3.230) 4.355 6.746 ( -0.055 2.161 3.257) 3.909 6.902 ( -1.484 1.669 0.131) 2.237 6.909 ( -0.345 2.077 -1.388) 2.522 7.088 ( 4.585 -1.385 -3.168) 5.743 7.207 ( -3.325 2.053 2.050) 4.413 7.332 ( 0.416 1.801 -1.142) 2.173 8.910 ( -0.238 0.011 0.014) 0.239 8.999 ( 0.218 -0.194 -0.449) 0.536 9.034 ( -0.670 -0.322 0.260) 0.787 9.095 ( 0.339 -0.104 0.242) 0.429 10.617 ( -0.034 1.804 -0.455) 1.861 10.645 ( -1.082 1.113 -0.368) 1.595 10.679 ( 0.772 0.447 1.582) 1.816 10.828 ( -1.046 0.245 -1.563) 1.897 10.965 ( 0.606 0.693 0.894) 1.284 11.033 ( -1.079 -2.514 0.421) 2.768 11.241 ( 3.044 3.520 2.615) 5.338 11.297 ( 3.087 -1.279 2.433) 4.133 11.464 ( -0.093 -1.173 0.525) 1.289 11.501 ( -0.622 -1.135 -1.246) 1.796 11.858 ( -2.203 -2.455 -0.830) 3.401 11.987 ( 0.167 -1.569 -2.582) 3.026 12.116 ( -5.642 -0.459 2.464) 6.174 12.412 ( 2.434 2.996 -3.483) 5.199 12.838 ( -2.378 0.100 1.323) 2.723 12.900 ( -2.298 4.674 2.061) 5.602 13.005 ( 1.304 -0.829 1.820) 2.388 13.061 ( 0.601 -4.887 0.385) 4.939 13.131 ( -2.352 -1.743 2.266) 3.702 13.335 ( -0.168 -0.957 0.718) 1.208 13.388 ( 3.310 -1.545 -1.975) 4.153 13.560 ( 7.411 -1.652 6.540) 10.021 13.660 ( 3.143 -0.160 -6.866) 7.553 13.802 ( -8.005 0.729 -1.066) 8.109 14.103 ( -1.833 5.003 -0.381) 5.342 14.297 ( 2.539 -0.395 -2.512) 3.593 ======================= Grid point 75 (35/88) ======================= q-point: ( 0.43 0.43 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 5.080 -0.000 -9.479) 10.754 1.618 ( 8.853 -0.000 -9.091) 12.689 1.693 ( 7.350 -0.000 -7.879) 10.775 1.730 ( 0.778 -0.000 3.785) 3.864 1.856 ( 3.598 -0.000 -1.213) 3.797 1.935 ( 3.468 -0.000 0.961) 3.599 2.124 ( -1.455 0.000 3.971) 4.230 2.145 ( -0.376 0.000 8.899) 8.907 2.149 ( -8.075 0.000 -1.215) 8.165 2.276 ( -8.565 0.000 10.135) 13.269 2.365 ( -2.985 0.000 -3.726) 4.774 2.398 ( 6.871 -0.000 -7.716) 10.332 2.488 ( 1.886 -0.000 5.184) 5.517 2.525 ( -2.318 0.000 -1.943) 3.025 2.626 ( -1.209 0.000 1.580) 1.990 2.644 ( 4.038 -0.000 0.998) 4.160 2.661 ( -3.103 0.000 6.219) 6.950 2.851 ( -5.142 0.000 -1.350) 5.317 3.027 ( 6.352 -0.000 -2.927) 6.994 3.072 ( -5.237 0.000 7.141) 8.855 3.074 ( 1.535 -0.000 -0.035) 1.535 3.184 ( 4.119 -0.000 -6.136) 7.390 3.315 ( 2.726 -0.000 -1.407) 3.068 3.347 ( 1.661 -0.000 -0.813) 1.849 3.349 ( 2.065 -0.000 1.763) 2.715 3.475 ( -1.255 0.000 0.378) 1.310 3.491 ( -3.263 0.000 -2.368) 4.031 3.521 ( 2.893 -0.000 2.222) 3.648 3.629 ( 1.316 -0.000 0.368) 1.366 3.635 ( -3.076 0.000 -0.968) 3.225 3.641 ( -0.594 0.000 -1.915) 2.005 3.706 ( -0.852 0.000 0.384) 0.935 3.766 ( 2.976 -0.000 4.094) 5.062 3.857 ( 0.351 -0.000 -1.334) 1.379 3.990 ( -5.541 0.000 -5.829) 8.042 4.029 ( -2.380 0.000 -1.200) 2.665 4.045 ( -3.370 0.000 -2.920) 4.459 4.202 ( -0.521 0.000 1.739) 1.815 4.225 ( 3.654 -0.000 2.929) 4.683 4.300 ( -2.060 0.000 -1.166) 2.367 4.301 ( -3.559 0.000 3.858) 5.250 4.461 ( 4.801 -0.000 3.671) 6.044 4.528 ( -0.049 0.000 -1.971) 1.972 4.533 ( -1.489 0.000 -7.085) 7.240 4.630 ( -0.970 0.000 -0.257) 1.004 4.667 ( 2.649 -0.000 -0.388) 2.677 4.719 ( 0.407 -0.000 -1.405) 1.463 4.738 ( 0.622 -0.000 1.236) 1.384 4.915 ( 3.385 -0.000 -4.946) 5.994 4.950 ( 1.428 -0.000 0.618) 1.556 5.008 ( -0.330 0.000 0.437) 0.548 5.094 ( 2.648 -0.000 -0.867) 2.786 5.102 ( 0.166 -0.000 0.042) 0.172 5.168 ( -1.176 0.000 -2.480) 2.744 5.221 ( -8.654 0.000 4.443) 9.728 5.289 ( 3.829 -0.000 -1.431) 4.088 5.402 ( 0.395 -0.000 0.784) 0.878 5.445 ( -3.818 0.000 2.594) 4.616 5.609 ( 1.712 -0.000 -0.931) 1.949 5.674 ( 1.587 -0.000 3.157) 3.534 5.693 ( -0.723 0.000 2.722) 2.817 5.830 ( 1.959 -0.000 -1.541) 2.492 5.938 ( 3.417 -0.000 -1.312) 3.660 6.005 ( -0.784 0.000 -2.163) 2.301 6.050 ( -3.378 0.000 3.662) 4.983 6.081 ( -2.984 0.000 0.460) 3.019 6.190 ( 0.301 -0.000 3.681) 3.693 6.219 ( 1.839 -0.000 -4.541) 4.899 6.312 ( -0.646 0.000 0.594) 0.877 6.371 ( -1.332 0.000 3.091) 3.365 6.417 ( 1.897 -0.000 -0.255) 1.914 6.481 ( -1.676 0.000 -2.459) 2.976 6.650 ( 0.802 -0.000 -2.243) 2.382 6.666 ( 0.334 -0.000 -0.180) 0.379 6.740 ( 0.835 -0.000 -1.778) 1.965 6.750 ( -0.321 0.000 0.479) 0.577 7.092 ( -1.093 0.000 0.969) 1.461 7.391 ( 1.239 -0.000 0.396) 1.301 8.895 ( -0.445 0.000 1.513) 1.577 8.931 ( 0.326 -0.000 0.183) 0.374 9.088 ( -0.230 0.000 -0.731) 0.767 9.088 ( -0.219 0.000 -0.165) 0.274 10.667 ( 1.552 -0.000 -0.505) 1.632 10.719 ( 1.530 -0.000 0.058) 1.531 10.742 ( 0.651 -0.000 -1.500) 1.636 10.790 ( -2.084 0.000 0.249) 2.099 11.011 ( -0.030 0.000 -2.048) 2.049 11.101 ( -0.866 0.000 -0.781) 1.166 11.203 ( -2.346 0.000 -0.932) 2.524 11.232 ( -0.247 0.000 1.487) 1.508 11.264 ( 2.668 -0.000 2.869) 3.918 11.491 ( 0.412 -0.000 0.617) 0.742 11.816 ( 0.064 -0.000 -1.474) 1.475 11.879 ( -2.365 0.000 0.272) 2.380 12.343 ( 1.399 -0.000 0.222) 1.416 12.453 ( 3.832 -0.000 -2.584) 4.621 12.810 ( -1.449 0.000 5.790) 5.968 12.916 ( -3.992 0.000 3.356) 5.215 12.966 ( -4.230 0.000 2.145) 4.743 12.982 ( 0.308 -0.000 -3.643) 3.656 13.110 ( -0.577 0.000 2.968) 3.024 13.148 ( 2.871 -0.000 1.167) 3.099 13.282 ( -3.400 0.000 0.368) 3.419 13.622 ( 0.735 -0.000 -1.784) 1.929 13.794 ( -0.907 0.000 -2.774) 2.919 13.887 ( 0.258 -0.000 -3.764) 3.773 13.972 ( 1.315 -0.000 2.074) 2.456 14.344 ( 3.228 -0.000 -0.845) 3.337 ======================= Grid point 76 (36/88) ======================= q-point: (-0.43 -0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -0.371 3.871 -12.208) 12.813 1.585 ( -0.457 -0.636 -9.905) 9.935 1.634 ( -5.238 4.694 -4.731) 8.477 1.813 ( 6.211 -3.287 -3.520) 7.859 1.879 ( 4.583 -3.895 1.091) 6.113 2.037 ( 2.635 3.683 5.866) 7.411 2.123 ( -2.295 -5.718 1.618) 6.370 2.166 ( -4.809 -0.220 0.787) 4.878 2.223 ( 4.976 -5.856 4.388) 8.849 2.282 ( -1.435 -5.219 2.372) 5.910 2.383 ( -1.007 -2.789 3.780) 4.805 2.429 ( 2.292 -2.509 -0.173) 3.403 2.490 ( 1.318 -0.834 -4.163) 4.446 2.577 ( 0.488 2.384 4.849) 5.426 2.611 ( 3.317 3.442 7.063) 8.528 2.678 ( 3.909 -0.829 -0.012) 3.996 2.744 ( -1.505 -3.252 3.573) 5.061 2.820 ( -3.081 -1.918 2.227) 4.258 2.949 ( -0.168 7.827 3.804) 8.704 3.006 ( -1.233 1.154 -4.202) 4.529 3.094 ( 2.513 6.538 -4.488) 8.318 3.155 ( -6.438 -5.178 1.616) 8.418 3.323 ( 0.914 2.132 -1.274) 2.646 3.385 ( 0.902 -1.708 -0.565) 2.012 3.420 ( 3.370 -1.878 -2.520) 4.608 3.440 ( 0.938 4.169 2.591) 4.997 3.485 ( -1.215 -6.981 -0.649) 7.115 3.525 ( -0.886 1.847 0.239) 2.062 3.585 ( -2.671 -0.391 -3.827) 4.683 3.641 ( 1.978 -2.567 -1.113) 3.426 3.715 ( 1.409 1.234 1.906) 2.672 3.730 ( 0.044 -6.302 0.050) 6.302 3.803 ( -5.084 -1.236 -2.555) 5.822 3.843 ( -4.189 3.521 -3.908) 6.724 3.847 ( -0.585 -1.063 0.546) 1.331 3.954 ( 4.488 5.174 -0.139) 6.850 4.036 ( -3.941 -3.270 -3.237) 6.058 4.142 ( -1.620 5.905 0.565) 6.149 4.263 ( 2.763 1.675 0.913) 3.357 4.269 ( -2.257 -1.103 1.037) 2.717 4.333 ( 2.560 1.013 2.208) 3.529 4.418 ( -2.952 4.232 -3.139) 6.040 4.467 ( -1.270 -0.497 -5.424) 5.592 4.574 ( 0.270 1.620 -2.123) 2.684 4.629 ( -1.607 0.125 -1.207) 2.014 4.705 ( 4.597 -4.046 4.548) 7.628 4.754 ( 1.879 0.641 1.533) 2.508 4.767 ( 3.402 -4.119 0.898) 5.417 4.893 ( 3.490 1.982 -1.354) 4.235 4.968 ( 1.432 1.669 -4.193) 4.734 5.004 ( -0.197 0.406 -0.704) 0.836 5.073 ( 1.329 1.129 0.153) 1.751 5.097 ( -1.636 0.484 -5.658) 5.910 5.150 ( 1.132 -1.444 3.368) 3.835 5.192 ( -5.403 -0.827 4.514) 7.089 5.313 ( 3.487 -0.091 -0.249) 3.498 5.397 ( -4.017 -0.389 -1.110) 4.186 5.473 ( 3.641 2.355 8.126) 9.210 5.606 ( 0.804 0.306 0.826) 1.193 5.706 ( 0.064 0.648 3.808) 3.863 5.735 ( 2.764 -1.090 0.509) 3.015 5.823 ( 0.396 1.626 0.156) 1.680 5.914 ( -1.770 0.495 -4.379) 4.749 5.942 ( 0.155 3.557 -3.546) 5.025 5.999 ( -7.576 3.030 -3.021) 8.701 6.050 ( -2.043 2.527 5.083) 6.033 6.146 ( -0.403 6.211 3.597) 7.188 6.189 ( 2.803 5.309 -2.750) 6.604 6.243 ( 0.110 3.948 0.684) 4.009 6.419 ( -1.254 4.550 -1.742) 5.030 6.433 ( 0.503 0.867 1.565) 1.859 6.475 ( 3.419 -1.250 -3.512) 5.058 6.571 ( -0.298 -2.922 1.419) 3.262 6.744 ( 1.660 -6.160 -0.408) 6.393 6.789 ( -1.191 -7.805 -1.563) 8.048 6.835 ( 0.357 -7.408 -0.852) 7.465 7.117 ( 0.394 -2.042 2.186) 3.018 7.381 ( -2.292 0.135 -1.348) 2.662 8.905 ( -0.458 -0.004 1.842) 1.898 8.944 ( 0.575 -0.659 0.892) 1.249 9.074 ( -0.308 0.527 -1.242) 1.383 9.087 ( 0.114 -0.160 -0.378) 0.426 10.666 ( -0.044 0.270 -0.749) 0.797 10.710 ( -1.222 1.009 -0.656) 1.715 10.725 ( 0.695 1.299 -1.819) 2.341 10.786 ( -1.821 -2.199 -0.526) 2.903 10.995 ( 0.874 0.459 -1.979) 2.211 11.042 ( -2.081 1.751 -2.877) 3.959 11.194 ( 1.272 -0.311 2.551) 2.868 11.269 ( -0.607 -2.134 1.205) 2.524 11.364 ( 4.292 -2.102 4.776) 6.756 11.499 ( 0.676 0.556 1.282) 1.552 11.813 ( 0.089 -0.996 -1.846) 2.099 11.874 ( -1.312 -1.774 -0.915) 2.389 12.284 ( -0.545 6.573 0.395) 6.607 12.481 ( 1.009 -2.186 -3.321) 4.102 12.837 ( -1.843 0.420 5.147) 5.483 12.916 ( -3.386 -0.844 2.681) 4.400 12.921 ( -1.169 2.469 2.695) 3.838 12.994 ( 0.460 -2.191 -0.120) 2.242 13.164 ( -1.632 -4.673 1.199) 5.093 13.215 ( 2.426 -1.058 3.781) 4.616 13.266 ( 4.175 2.015 2.042) 5.066 13.592 ( -0.301 2.644 -2.891) 3.929 13.686 ( 0.297 3.966 -3.818) 5.513 13.896 ( -1.322 -1.798 -5.078) 5.547 14.031 ( -1.363 -5.260 1.373) 5.604 14.357 ( 3.135 1.520 0.068) 3.485 ======================= Grid point 77 (37/88) ======================= q-point: (-0.29 -0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -1.092 -3.944 -10.603) 11.365 1.440 ( -8.519 0.409 -7.800) 11.558 1.552 ( -1.470 -5.009 -11.887) 12.983 1.907 ( 7.962 -0.874 -0.559) 8.030 1.959 ( 1.642 1.229 2.241) 3.038 2.007 ( 4.264 10.707 10.374) 15.507 2.068 ( -3.293 0.816 -2.730) 4.354 2.234 ( -1.988 -4.775 2.256) 5.643 2.316 ( -6.956 -4.795 0.833) 8.490 2.415 ( 2.315 -0.787 -0.366) 2.472 2.431 ( 3.285 0.336 -3.375) 4.722 2.478 ( 1.011 0.809 3.740) 3.958 2.491 ( 3.392 -2.545 2.126) 4.744 2.572 ( -1.099 -0.990 2.624) 3.013 2.669 ( 0.932 -2.470 5.437) 6.044 2.729 ( -2.745 2.669 1.587) 4.144 2.768 ( 3.024 -3.662 2.644) 5.436 2.837 ( -1.172 -3.032 -6.256) 7.050 2.903 ( 1.411 5.048 2.290) 5.720 2.963 ( -2.864 -0.209 3.600) 4.605 3.046 ( 3.398 -2.333 -2.156) 4.651 3.202 ( -6.361 -6.714 -0.531) 9.265 3.310 ( 2.257 2.600 -1.806) 3.888 3.336 ( -0.156 3.308 -0.354) 3.331 3.395 ( -1.664 5.798 1.448) 6.203 3.419 ( 1.254 -2.049 -1.087) 2.637 3.468 ( -4.597 1.096 -0.378) 4.740 3.502 ( 1.726 4.735 -1.012) 5.140 3.620 ( -0.260 -3.084 1.059) 3.271 3.682 ( 2.020 2.939 0.351) 3.583 3.700 ( -2.107 3.651 -2.246) 4.776 3.755 ( -1.869 -0.592 0.220) 1.973 3.767 ( -1.368 -1.736 0.136) 2.215 3.788 ( 2.720 -5.215 0.373) 5.893 3.919 ( 1.776 -3.456 0.936) 3.996 3.946 ( 2.507 3.050 -0.372) 3.966 4.019 ( -2.814 -3.891 -3.991) 6.244 4.104 ( -2.064 -3.355 -0.420) 3.961 4.239 ( -4.059 2.734 1.127) 5.022 4.284 ( 2.259 -0.890 -2.095) 3.206 4.299 ( -0.106 -0.013 -1.313) 1.318 4.360 ( 0.701 2.340 -0.031) 2.443 4.469 ( 2.234 -1.947 -1.691) 3.412 4.497 ( -2.422 3.504 -3.075) 5.253 4.587 ( 0.734 1.870 -0.736) 2.140 4.732 ( 0.165 4.628 -3.714) 5.936 4.780 ( -0.330 0.878 2.213) 2.404 4.848 ( 0.335 -1.749 -2.493) 3.064 4.881 ( 0.671 -1.119 -1.964) 2.358 4.917 ( 3.966 -1.008 -1.331) 4.303 5.032 ( 2.255 -1.782 2.777) 3.996 5.057 ( 0.418 0.814 -2.964) 3.102 5.083 ( 3.165 2.635 1.447) 4.365 5.214 ( 2.328 -1.179 5.461) 6.053 5.250 ( -0.129 -4.558 2.590) 5.244 5.330 ( 3.478 2.250 2.331) 4.753 5.365 ( -2.108 -0.633 -0.086) 2.203 5.515 ( 2.964 3.624 6.620) 8.108 5.637 ( -0.579 -2.234 2.641) 3.507 5.706 ( -0.965 1.470 -1.277) 2.174 5.740 ( 0.081 2.565 0.626) 2.641 5.785 ( -0.550 1.716 -1.593) 2.405 5.833 ( -9.369 2.528 -4.356) 10.637 5.858 ( -0.831 4.489 -1.608) 4.840 5.892 ( -1.523 -0.243 -2.390) 2.845 5.989 ( -2.173 6.313 -0.137) 6.678 6.086 ( 0.596 5.910 3.749) 7.024 6.122 ( 2.655 1.697 -1.105) 3.339 6.220 ( 1.120 1.733 2.238) 3.045 6.278 ( -1.007 6.524 -1.777) 6.836 6.424 ( -0.412 1.673 -2.383) 2.941 6.492 ( 3.531 -0.974 -2.891) 4.666 6.675 ( -0.139 -6.303 3.025) 6.993 6.846 ( -2.067 -5.067 -0.382) 5.486 6.871 ( 1.082 -5.253 -1.506) 5.571 6.957 ( 3.091 -7.664 -0.903) 8.313 7.183 ( 0.620 -2.627 3.480) 4.404 7.343 ( -2.997 -0.440 -2.147) 3.713 8.913 ( -0.379 0.206 1.520) 1.580 8.972 ( 0.606 -1.047 1.460) 1.896 9.049 ( -0.455 0.822 -1.607) 1.862 9.089 ( 0.350 -0.286 -0.451) 0.638 10.650 ( -0.969 0.324 -0.903) 1.363 10.673 ( -2.345 0.861 -0.574) 2.563 10.700 ( 0.249 0.809 -0.751) 1.132 10.806 ( -0.435 -1.631 -0.294) 1.713 10.982 ( 0.555 0.140 -1.505) 1.610 11.000 ( -0.358 0.301 -1.952) 2.007 11.252 ( 2.784 -1.485 3.852) 4.980 11.300 ( -0.216 -1.035 1.128) 1.546 11.434 ( 2.027 -0.115 2.570) 3.275 11.502 ( 0.475 0.963 0.938) 1.426 11.811 ( -0.178 -0.713 -1.537) 1.704 11.896 ( -0.048 -3.472 -2.954) 4.559 12.185 ( -2.651 5.470 2.511) 6.577 12.467 ( -0.421 0.353 -3.953) 3.991 12.863 ( -0.740 -0.300 4.499) 4.570 12.888 ( -3.625 -0.308 1.307) 3.866 12.955 ( -0.663 -2.160 2.847) 3.634 13.043 ( 1.804 -0.613 2.490) 3.135 13.158 ( -1.048 2.999 -0.315) 3.193 13.278 ( 1.787 -2.167 4.209) 5.060 13.350 ( 6.705 -1.642 0.397) 6.915 13.534 ( 0.960 1.315 0.736) 1.787 13.644 ( 1.614 -0.416 -4.677) 4.965 13.846 ( -3.365 0.911 -4.034) 5.332 14.090 ( -3.246 -4.490 -0.556) 5.568 14.346 ( 2.626 2.984 -0.187) 3.980 ======================= Grid point 78 (38/88) ======================= q-point: (-0.14 -0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 3.152 -10.613 -7.510) 13.378 1.429 ( -2.241 -12.850 -5.220) 14.049 1.551 ( -0.049 -7.037 -9.399) 11.741 1.819 ( -3.745 13.727 6.240) 15.537 1.897 ( -1.223 11.294 9.100) 14.556 2.018 ( 6.555 -0.812 -8.149) 10.490 2.047 ( 2.614 3.405 2.133) 4.793 2.274 ( -3.012 -1.067 0.353) 3.215 2.294 ( -5.351 0.559 2.251) 5.832 2.362 ( -2.442 3.766 1.318) 4.678 2.411 ( -0.938 3.780 0.199) 3.899 2.490 ( 3.000 -1.147 -1.849) 3.706 2.554 ( 3.724 -2.253 -0.750) 4.417 2.603 ( -2.159 5.509 1.620) 6.135 2.689 ( 1.839 -0.773 1.455) 2.468 2.767 ( -1.170 -5.058 -0.337) 5.202 2.803 ( 4.443 -2.267 -4.413) 6.660 2.840 ( -0.654 -5.302 -2.197) 5.776 2.929 ( 2.922 3.275 3.947) 5.903 2.979 ( 1.352 -3.252 0.352) 3.539 3.111 ( -0.968 -0.447 -1.880) 2.161 3.196 ( -0.197 1.581 -1.756) 2.371 3.258 ( -2.420 4.041 1.967) 5.104 3.273 ( -1.184 4.412 3.169) 5.560 3.336 ( 0.336 -0.254 0.411) 0.588 3.443 ( -1.623 -3.479 1.354) 4.071 3.467 ( 2.013 3.138 1.806) 4.143 3.503 ( -2.062 -5.180 1.823) 5.865 3.594 ( -6.186 1.413 -0.230) 6.349 3.647 ( -1.606 -0.390 -1.030) 1.947 3.685 ( 3.663 3.234 1.778) 5.200 3.730 ( -1.959 -2.074 1.283) 3.128 3.772 ( 0.399 -0.742 -0.894) 1.229 3.870 ( -0.763 -1.553 1.109) 2.055 3.933 ( 1.142 3.901 1.136) 4.220 3.960 ( 0.872 -2.072 0.949) 2.441 4.026 ( -3.171 -2.505 -2.424) 4.712 4.128 ( -1.411 -0.122 -1.403) 1.993 4.207 ( -2.259 -2.658 -3.572) 4.993 4.281 ( 1.744 1.708 -0.517) 2.495 4.319 ( -2.044 -1.661 -1.829) 3.207 4.367 ( 3.656 -3.028 1.775) 5.068 4.442 ( 1.925 -0.399 0.446) 2.016 4.530 ( 3.989 -2.730 -0.625) 4.874 4.581 ( 1.108 -0.103 -0.056) 1.114 4.622 ( 1.250 3.217 -4.548) 5.710 4.777 ( -0.973 1.117 0.527) 1.572 4.783 ( -0.887 1.126 -4.640) 4.857 4.938 ( 0.215 -2.804 -1.106) 3.022 4.959 ( 4.271 -0.495 -1.762) 4.646 5.001 ( 1.334 4.335 -1.150) 4.679 5.050 ( 0.342 1.343 -1.244) 1.862 5.124 ( 1.957 -1.470 4.222) 4.880 5.272 ( 0.313 0.113 4.019) 4.033 5.316 ( -0.617 -2.514 0.167) 2.594 5.341 ( -1.063 -1.204 1.754) 2.379 5.422 ( 3.497 -1.870 2.461) 4.667 5.523 ( 2.980 4.392 5.434) 7.596 5.618 ( -3.397 0.956 -4.228) 5.508 5.663 ( -2.198 3.280 -3.016) 4.968 5.684 ( 0.002 2.931 -3.369) 4.466 5.720 ( -5.285 -0.275 -0.050) 5.292 5.758 ( 1.164 0.121 1.510) 1.911 5.800 ( -3.858 2.465 1.623) 4.858 5.834 ( -1.642 0.998 1.174) 2.251 5.935 ( -0.115 -0.948 -1.564) 1.832 6.042 ( 0.559 3.805 2.476) 4.574 6.119 ( 1.814 0.202 -1.539) 2.388 6.221 ( 0.980 0.387 0.245) 1.082 6.260 ( 2.290 -0.568 4.697) 5.256 6.346 ( -3.137 1.951 -5.145) 6.334 6.510 ( 3.091 -0.728 -3.514) 4.737 6.765 ( -0.835 -2.617 2.747) 3.885 6.874 ( -1.572 -1.766 -0.283) 2.382 6.919 ( 0.517 -1.427 -0.524) 1.606 7.063 ( 4.147 -3.870 -2.470) 6.187 7.224 ( -1.943 0.586 2.841) 3.491 7.329 ( -0.139 -1.012 -1.058) 1.471 8.915 ( -0.344 0.467 0.946) 1.110 8.997 ( 0.410 -0.098 -0.233) 0.482 9.027 ( -0.414 -0.116 0.132) 0.449 9.093 ( 0.296 -0.361 -0.429) 0.634 10.630 ( -0.430 0.721 -0.456) 0.955 10.644 ( -1.199 0.393 -0.397) 1.323 10.698 ( -0.248 -0.231 1.082) 1.133 10.814 ( 0.151 -0.004 -0.608) 0.627 10.980 ( 0.449 -0.338 -0.304) 0.639 10.992 ( -0.340 -1.092 -0.972) 1.501 11.296 ( -1.079 -0.091 0.122) 1.090 11.331 ( 2.534 -0.276 1.797) 3.119 11.453 ( 0.308 0.276 1.222) 1.290 11.493 ( -0.145 0.633 -0.108) 0.658 11.819 ( 0.133 -1.270 0.286) 1.308 11.923 ( 1.067 -3.279 -3.359) 4.814 12.124 ( -3.851 3.146 4.214) 6.518 12.425 ( 0.606 0.763 -3.118) 3.267 12.858 ( -1.038 1.899 2.144) 3.047 12.918 ( -3.058 -2.194 2.318) 4.421 13.001 ( -1.142 -2.239 1.823) 3.105 13.049 ( 2.467 1.957 0.191) 3.154 13.121 ( -1.775 1.299 0.913) 2.382 13.329 ( 0.483 -0.681 0.771) 1.136 13.394 ( 3.920 -0.048 -0.830) 4.007 13.593 ( 3.371 -3.244 -2.061) 5.112 13.656 ( 4.029 -0.898 2.427) 4.788 13.752 ( -5.298 2.408 -3.702) 6.897 14.108 ( -2.364 -1.631 0.139) 2.876 14.317 ( 2.050 2.503 -1.136) 3.429 ======================= Grid point 83 (39/88) ======================= q-point: (-0.43 -0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -9.969 0.000 -16.545) 19.316 1.508 ( -2.188 0.000 -9.887) 10.126 1.625 ( -11.012 0.000 -10.128) 14.961 1.795 ( 8.621 -0.000 1.875) 8.822 1.897 ( -0.134 0.000 0.710) 0.723 1.915 ( -1.502 0.000 -1.316) 1.997 2.075 ( -9.927 0.000 -1.253) 10.005 2.261 ( 10.022 -0.000 5.551) 11.456 2.271 ( 1.930 -0.000 -0.380) 1.967 2.295 ( 0.746 -0.000 14.952) 14.970 2.387 ( 2.719 -0.000 0.822) 2.840 2.470 ( 4.260 -0.000 10.234) 11.086 2.487 ( 4.081 -0.000 0.018) 4.081 2.668 ( 1.729 -0.000 0.943) 1.970 2.678 ( -1.567 0.000 -4.475) 4.741 2.716 ( 4.745 -0.000 -0.977) 4.845 2.781 ( 2.192 -0.000 11.886) 12.087 2.793 ( 2.352 -0.000 4.670) 5.228 2.913 ( -1.522 0.000 -7.477) 7.630 2.990 ( -10.198 0.000 0.249) 10.201 3.058 ( -6.402 0.000 3.151) 7.135 3.229 ( 6.903 -0.000 -6.505) 9.485 3.333 ( -2.397 0.000 -0.599) 2.471 3.337 ( 2.021 -0.000 -1.986) 2.833 3.353 ( 1.489 -0.000 -3.677) 3.967 3.439 ( -0.827 0.000 1.758) 1.943 3.507 ( -5.118 0.000 0.780) 5.177 3.521 ( 1.025 -0.000 1.975) 2.225 3.573 ( 1.121 -0.000 0.531) 1.240 3.631 ( 2.173 -0.000 1.066) 2.420 3.700 ( -4.817 0.000 -6.744) 8.288 3.720 ( 4.617 -0.000 3.729) 5.935 3.758 ( 4.084 -0.000 0.129) 4.086 3.804 ( -1.826 0.000 -2.150) 2.820 3.832 ( -4.893 0.000 0.191) 4.897 3.937 ( -4.206 0.000 -1.409) 4.436 4.068 ( 6.493 -0.000 0.719) 6.533 4.120 ( -4.064 0.000 -5.920) 7.180 4.222 ( -2.031 0.000 -5.563) 5.922 4.282 ( 2.721 -0.000 1.567) 3.140 4.406 ( 0.046 -0.000 -1.574) 1.575 4.425 ( -2.725 0.000 -0.938) 2.882 4.496 ( 5.951 -0.000 3.559) 6.934 4.518 ( -3.844 0.000 -5.715) 6.887 4.638 ( 2.227 -0.000 -1.299) 2.578 4.720 ( 2.008 -0.000 3.350) 3.906 4.773 ( 4.110 -0.000 3.200) 5.209 4.782 ( 1.770 -0.000 0.206) 1.782 4.914 ( -3.639 0.000 -9.660) 10.322 4.943 ( 5.202 -0.000 -0.428) 5.219 5.007 ( -0.549 0.000 1.827) 1.908 5.048 ( -0.176 0.000 -1.892) 1.900 5.085 ( 0.045 -0.000 -2.737) 2.738 5.187 ( 2.392 -0.000 6.680) 7.096 5.203 ( -2.916 0.000 6.072) 6.736 5.325 ( 1.542 -0.000 2.708) 3.117 5.386 ( -1.041 0.000 2.119) 2.361 5.596 ( 3.879 -0.000 8.529) 9.370 5.604 ( -0.909 0.000 -0.773) 1.194 5.735 ( 0.150 -0.000 1.569) 1.576 5.740 ( 3.485 -0.000 -4.682) 5.837 5.829 ( -8.985 0.000 -6.463) 11.068 5.853 ( 1.355 -0.000 0.980) 1.672 5.936 ( -5.093 0.000 -4.746) 6.961 5.957 ( -0.512 0.000 -0.267) 0.578 6.096 ( -1.817 0.000 5.741) 6.022 6.205 ( 1.940 -0.000 -4.966) 5.331 6.226 ( -0.625 0.000 4.098) 4.146 6.379 ( -2.000 0.000 0.863) 2.178 6.396 ( 4.150 -0.000 4.294) 5.972 6.407 ( -1.434 0.000 0.343) 1.474 6.479 ( 3.776 -0.000 -2.979) 4.810 6.626 ( -2.831 0.000 -1.931) 3.427 6.654 ( 4.010 -0.000 -2.202) 4.575 6.722 ( -1.750 0.000 -0.762) 1.909 6.729 ( 0.922 -0.000 -1.616) 1.861 7.133 ( 2.086 -0.000 3.352) 3.948 7.335 ( -4.630 0.000 -2.665) 5.342 8.919 ( -0.590 0.000 2.523) 2.591 8.953 ( 0.909 -0.000 1.247) 1.543 9.068 ( 0.134 -0.000 -1.624) 1.630 9.079 ( -0.093 0.000 -0.749) 0.755 10.650 ( -1.218 0.000 -1.622) 2.028 10.690 ( -1.924 0.000 -2.198) 2.921 10.721 ( -4.222 0.000 -1.267) 4.408 10.765 ( 3.151 -0.000 0.523) 3.194 10.992 ( 1.785 -0.000 -2.715) 3.249 11.003 ( -2.567 0.000 -3.728) 4.526 11.226 ( 1.841 -0.000 3.152) 3.651 11.241 ( -1.724 0.000 1.281) 2.148 11.450 ( 5.235 -0.000 5.623) 7.683 11.524 ( 0.931 -0.000 1.918) 2.132 11.799 ( 1.859 -0.000 -1.267) 2.250 11.845 ( -0.540 0.000 -1.865) 1.941 12.334 ( -2.042 0.000 -0.317) 2.066 12.434 ( -0.392 0.000 -2.738) 2.766 12.843 ( -4.171 0.000 1.613) 4.472 12.917 ( -4.958 0.000 6.823) 8.434 12.966 ( 0.216 -0.000 3.988) 3.994 12.990 ( 4.463 -0.000 -0.472) 4.488 13.121 ( -1.376 0.000 2.402) 2.769 13.266 ( 3.861 -0.000 4.223) 5.722 13.348 ( 6.674 -0.000 2.589) 7.158 13.571 ( -0.980 0.000 -4.131) 4.246 13.704 ( -1.093 0.000 -5.903) 6.004 13.782 ( -1.953 0.000 -6.948) 7.217 14.011 ( -1.740 0.000 3.426) 3.842 14.398 ( 3.534 -0.000 0.207) 3.540 ======================= Grid point 84 (40/88) ======================= q-point: (-0.29 -0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -12.628 -5.322 -12.561) 18.590 1.280 ( -19.813 3.700 -10.236) 22.606 1.492 ( 8.993 2.340 -10.660) 14.141 1.879 ( -1.216 -5.177 -3.617) 6.432 1.936 ( 2.115 -5.166 -1.239) 5.718 2.006 ( -9.618 -7.060 -0.080) 11.931 2.031 ( -4.112 -9.633 -1.201) 10.543 2.238 ( 2.752 4.761 5.033) 7.455 2.327 ( -2.453 3.325 10.740) 11.507 2.409 ( 5.535 -0.087 -0.219) 5.540 2.471 ( 5.651 0.674 -1.207) 5.817 2.492 ( -0.594 2.239 2.121) 3.141 2.539 ( 5.351 1.225 2.373) 5.980 2.647 ( 0.801 2.609 4.141) 4.960 2.685 ( 0.419 1.819 -2.098) 2.808 2.722 ( 2.262 -3.056 -0.257) 3.811 2.807 ( -0.575 0.691 0.757) 1.176 2.824 ( -0.433 4.419 9.940) 10.887 2.943 ( -2.131 -2.450 3.602) 4.849 2.965 ( -4.470 -1.618 3.971) 6.194 3.077 ( 5.542 2.521 -2.158) 6.459 3.100 ( 1.470 2.717 -1.120) 3.286 3.295 ( -3.625 -3.254 -4.879) 6.894 3.330 ( 4.575 0.852 -4.781) 6.671 3.394 ( -3.153 3.032 0.383) 4.391 3.434 ( -3.069 1.399 -0.410) 3.398 3.485 ( -2.255 2.153 0.740) 3.204 3.531 ( 1.296 -4.547 0.516) 4.756 3.598 ( 4.447 0.735 -1.056) 4.629 3.664 ( 0.993 -2.263 -0.402) 2.504 3.693 ( -0.320 -4.771 -0.040) 4.781 3.742 ( -1.006 1.186 -0.630) 1.678 3.760 ( 2.247 1.811 1.200) 3.126 3.797 ( 0.734 -1.288 3.461) 3.765 3.877 ( 0.805 -4.204 1.551) 4.552 3.912 ( -3.070 -1.987 -2.391) 4.369 4.049 ( -1.601 -1.531 -5.113) 5.572 4.079 ( 6.312 5.073 0.578) 8.119 4.179 ( -2.685 -0.345 -3.109) 4.123 4.294 ( -1.736 2.636 -4.024) 5.114 4.332 ( -0.614 2.005 2.794) 3.493 4.407 ( -2.056 1.286 -0.291) 2.442 4.462 ( -0.321 -1.056 -4.754) 4.881 4.516 ( 6.632 4.454 0.789) 8.028 4.622 ( 1.732 2.228 -0.356) 2.845 4.745 ( -0.934 2.909 -7.793) 8.371 4.781 ( -1.724 -0.634 -0.217) 1.850 4.815 ( 3.994 -2.970 -0.741) 5.032 4.871 ( 0.116 -0.137 2.862) 2.868 4.944 ( 2.169 2.704 0.591) 3.516 5.039 ( 0.390 -1.255 0.920) 1.604 5.049 ( 0.988 -0.669 -1.478) 1.899 5.114 ( 1.651 -3.416 2.911) 4.782 5.223 ( 1.074 -0.192 1.574) 1.915 5.249 ( 0.435 -1.257 3.990) 4.206 5.360 ( -1.810 1.554 4.331) 4.944 5.422 ( 4.502 0.350 6.066) 7.562 5.601 ( -2.672 -2.176 0.404) 3.470 5.650 ( -4.277 2.305 -3.854) 6.201 5.663 ( -2.588 1.383 2.722) 4.002 5.716 ( 0.165 0.371 -6.647) 6.659 5.759 ( 0.333 -0.557 -3.330) 3.392 5.841 ( -3.157 3.734 1.353) 5.073 5.869 ( -0.118 0.336 -1.523) 1.564 5.915 ( -2.258 4.137 2.095) 5.158 6.065 ( -3.317 6.486 -0.539) 7.305 6.150 ( 1.069 1.640 -3.832) 4.304 6.229 ( 2.548 4.856 6.394) 8.423 6.301 ( 0.782 5.634 2.791) 6.336 6.347 ( -1.301 6.448 -3.050) 7.251 6.437 ( -1.108 3.382 -2.703) 4.469 6.491 ( 3.877 -0.583 -2.246) 4.519 6.591 ( -1.227 -5.605 1.768) 6.004 6.738 ( -0.247 -6.294 -1.549) 6.486 6.780 ( 1.639 -6.819 -0.362) 7.023 6.835 ( 2.612 -10.674 -0.741) 11.014 7.196 ( 2.427 -1.229 4.519) 5.275 7.282 ( -3.744 -1.093 -2.594) 4.684 8.930 ( -0.598 0.430 2.305) 2.419 8.977 ( 0.916 -0.621 1.627) 1.968 9.047 ( -0.002 0.919 -1.712) 1.943 9.078 ( 0.186 -0.638 -1.066) 1.256 10.631 ( -1.251 -0.348 -0.955) 1.612 10.654 ( -2.603 0.283 -0.987) 2.798 10.682 ( -2.641 -0.612 -1.352) 3.029 10.802 ( 2.671 -0.509 0.754) 2.821 10.962 ( -1.295 -0.186 -2.101) 2.475 10.989 ( 1.914 -0.246 -3.017) 3.581 11.247 ( -3.118 -2.126 0.071) 3.775 11.278 ( 2.217 -1.694 3.215) 4.257 11.497 ( 1.450 1.599 2.267) 3.130 11.536 ( 1.044 1.385 1.348) 2.197 11.809 ( 1.715 0.625 -0.990) 2.076 11.847 ( 2.733 -1.816 -1.893) 3.788 12.263 ( -2.943 5.185 1.453) 6.137 12.424 ( -1.197 -1.206 -2.909) 3.369 12.817 ( -4.714 -1.568 -0.243) 4.973 12.919 ( -3.813 1.242 6.069) 7.274 12.984 ( 1.449 1.870 4.022) 4.666 13.066 ( 3.515 -2.528 3.586) 5.622 13.150 ( -0.921 -1.285 0.681) 1.721 13.317 ( 2.848 0.873 2.141) 3.668 13.418 ( 7.372 1.009 1.140) 7.527 13.531 ( -0.097 -0.497 -3.050) 3.092 13.634 ( 1.008 0.481 -2.272) 2.531 13.752 ( -2.730 -3.300 -8.183) 9.236 14.030 ( -3.319 -1.324 3.760) 5.187 14.408 ( 3.259 2.424 -0.819) 4.143 ======================= Grid point 85 (41/88) ======================= q-point: (-0.14 -0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -9.950 -15.559 -5.728) 19.336 1.112 ( -12.578 -12.673 -9.525) 20.237 1.492 ( 10.891 -0.398 -7.568) 13.268 1.871 ( -6.712 1.957 -0.750) 7.032 1.982 ( 3.779 -5.118 -4.219) 7.633 2.037 ( -2.550 -0.558 1.200) 2.873 2.152 ( -7.125 -10.056 -0.442) 12.332 2.233 ( -2.683 0.874 3.176) 4.249 2.328 ( -3.297 3.813 9.999) 11.198 2.377 ( 0.765 1.633 -4.984) 5.300 2.449 ( -4.403 1.678 -1.152) 4.850 2.457 ( 7.037 3.798 -4.055) 8.966 2.542 ( 1.312 3.616 0.760) 3.921 2.626 ( -0.351 0.847 1.229) 1.533 2.712 ( -3.977 4.027 3.382) 6.593 2.720 ( 6.771 -2.182 0.217) 7.117 2.797 ( 2.041 1.486 0.051) 2.525 2.865 ( 3.878 1.474 7.289) 8.387 2.986 ( -4.049 -3.740 -3.674) 6.624 2.999 ( 2.169 1.378 2.126) 3.335 3.025 ( 0.608 1.472 7.699) 7.862 3.134 ( -0.095 -2.475 -5.044) 5.619 3.269 ( 0.222 3.349 -4.613) 5.705 3.307 ( -5.490 -1.635 0.830) 5.789 3.356 ( -2.242 0.463 2.037) 3.064 3.394 ( -3.043 -2.537 0.061) 3.962 3.462 ( 3.534 0.375 0.954) 3.680 3.574 ( 1.626 0.331 2.837) 3.286 3.601 ( 1.697 1.215 -3.009) 3.662 3.639 ( 0.936 3.664 -2.602) 4.590 3.711 ( 0.022 0.246 0.689) 0.732 3.745 ( -1.475 -0.593 -1.097) 1.932 3.791 ( 2.570 3.382 1.081) 4.383 3.885 ( 1.454 -5.531 3.426) 6.667 3.900 ( -4.169 0.828 2.589) 4.976 3.947 ( -0.268 -3.888 0.072) 3.898 4.043 ( 0.515 0.632 0.073) 0.818 4.069 ( -0.366 -2.949 -1.854) 3.502 4.154 ( 4.318 0.771 0.812) 4.461 4.239 ( -0.591 -2.005 -4.788) 5.224 4.315 ( -2.670 0.979 -0.036) 2.844 4.410 ( 6.349 0.227 3.203) 7.115 4.458 ( 2.604 0.066 -1.352) 2.935 4.526 ( 3.603 -0.455 -0.631) 3.687 4.602 ( 1.413 1.635 -1.667) 2.729 4.643 ( 1.347 2.958 -5.266) 6.188 4.757 ( -3.443 -0.436 -0.022) 3.471 4.829 ( 2.227 5.377 -1.332) 5.970 4.893 ( -1.243 -0.420 0.960) 1.626 4.944 ( 1.869 -1.925 -1.228) 2.951 5.038 ( 2.476 -0.078 -3.190) 4.039 5.056 ( -2.064 0.782 -0.120) 2.210 5.181 ( 1.370 0.806 5.265) 5.499 5.242 ( 2.335 -1.476 -2.845) 3.965 5.322 ( -2.313 -2.023 3.976) 5.025 5.340 ( 0.017 1.645 3.696) 4.046 5.453 ( -1.384 3.066 -1.153) 3.556 5.521 ( -5.854 -1.980 -5.006) 7.953 5.641 ( -2.853 -0.097 -4.348) 5.202 5.656 ( 0.612 -1.236 0.753) 1.572 5.664 ( 0.804 3.859 4.460) 5.953 5.712 ( -0.439 1.155 -3.876) 4.068 5.796 ( -2.109 2.439 5.111) 6.043 5.847 ( -3.531 4.165 1.633) 5.699 5.859 ( -0.010 2.627 0.601) 2.695 5.923 ( -0.471 2.144 -2.214) 3.118 6.131 ( 1.486 1.707 0.423) 2.303 6.182 ( 2.263 7.778 1.530) 8.243 6.240 ( -0.427 2.658 -0.769) 2.800 6.309 ( -1.672 4.024 -1.309) 4.550 6.317 ( -0.193 0.116 -0.442) 0.496 6.506 ( 4.136 0.048 -3.343) 5.318 6.697 ( -2.301 -6.432 1.315) 6.956 6.821 ( 0.749 -5.190 -0.264) 5.250 6.871 ( 0.079 -4.590 0.372) 4.606 7.000 ( 4.547 -7.131 -2.078) 8.709 7.230 ( -2.324 -0.361 1.653) 2.875 7.302 ( 1.538 -2.316 1.261) 3.053 8.931 ( -0.549 0.761 1.457) 1.733 9.001 ( 0.594 0.227 -0.077) 0.640 9.027 ( 0.050 0.061 0.280) 0.291 9.082 ( 0.251 -0.670 -1.062) 1.280 10.626 ( -0.741 -0.378 -0.085) 0.836 10.632 ( -1.541 -0.185 0.095) 1.555 10.675 ( -1.897 -1.679 -0.235) 2.544 10.827 ( 1.912 0.309 0.221) 1.949 10.951 ( -0.855 -1.062 -1.067) 1.731 10.988 ( 1.633 -0.262 -1.544) 2.262 11.244 ( -3.888 -1.911 -1.675) 4.645 11.341 ( 0.283 -0.997 1.188) 1.576 11.481 ( -0.109 1.426 0.257) 1.453 11.519 ( 0.835 2.107 0.186) 2.274 11.820 ( 2.047 -1.464 0.332) 2.539 11.887 ( 4.176 -0.835 -1.306) 4.455 12.190 ( -2.955 4.200 4.376) 6.747 12.404 ( 0.212 -0.501 -3.325) 3.370 12.825 ( -3.733 -4.152 -0.079) 5.583 12.914 ( -3.343 1.246 5.363) 6.442 13.000 ( 0.347 0.868 2.733) 2.888 13.110 ( 1.927 3.508 -0.523) 4.037 13.140 ( -0.597 1.036 1.121) 1.639 13.334 ( 1.180 -0.262 0.609) 1.354 13.426 ( 1.945 1.496 -1.360) 2.805 13.555 ( 3.662 -2.101 -3.840) 5.707 13.655 ( -1.777 0.094 -3.790) 4.186 13.737 ( 3.158 -3.245 2.385) 5.118 14.053 ( -3.579 -2.611 2.692) 5.184 14.370 ( 2.065 3.528 -1.980) 4.542 ======================= Grid point 91 (42/88) ======================= q-point: (-0.29 -0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( -17.865 0.000 -9.066) 20.034 1.067 ( -27.487 0.000 -6.928) 28.346 1.507 ( -29.787 0.000 -14.346) 33.062 1.516 ( 11.583 -0.000 -10.849) 15.871 1.905 ( -5.244 0.000 1.755) 5.530 1.941 ( 2.377 -0.000 -1.073) 2.607 1.983 ( 3.233 -0.000 0.438) 3.262 2.350 ( -3.362 0.000 3.435) 4.807 2.360 ( 5.639 -0.000 8.394) 10.112 2.452 ( 6.649 -0.000 -6.994) 9.650 2.531 ( 0.676 -0.000 -2.260) 2.359 2.564 ( 3.175 -0.000 5.977) 6.768 2.636 ( 7.290 -0.000 5.435) 9.093 2.644 ( -0.939 0.000 1.884) 2.105 2.681 ( -2.836 0.000 -1.358) 3.145 2.749 ( 1.714 -0.000 -3.947) 4.303 2.814 ( 3.428 -0.000 4.240) 5.453 2.945 ( -10.583 0.000 14.597) 18.029 2.952 ( 7.111 -0.000 -1.878) 7.354 2.988 ( 3.676 -0.000 9.698) 10.372 3.115 ( 2.251 -0.000 1.521) 2.717 3.172 ( 7.453 -0.000 -5.667) 9.363 3.178 ( -1.632 0.000 -9.076) 9.221 3.376 ( -4.305 0.000 -3.308) 5.429 3.386 ( -0.966 0.000 2.787) 2.950 3.410 ( 6.756 -0.000 1.561) 6.934 3.489 ( -3.351 0.000 -0.638) 3.411 3.510 ( -1.979 0.000 -0.381) 2.015 3.584 ( 0.068 -0.000 0.845) 0.848 3.662 ( -0.989 0.000 0.171) 1.003 3.693 ( 4.292 -0.000 2.004) 4.737 3.741 ( -0.945 0.000 -2.602) 2.769 3.777 ( -3.759 0.000 0.795) 3.843 3.791 ( 1.899 -0.000 4.803) 5.165 3.839 ( 3.353 -0.000 -1.927) 3.867 3.944 ( -2.333 0.000 -8.589) 8.900 3.982 ( 7.609 -0.000 5.653) 9.479 4.083 ( -3.381 0.000 -4.609) 5.716 4.201 ( 3.770 -0.000 0.202) 3.776 4.281 ( -3.541 0.000 -2.293) 4.218 4.282 ( -7.285 0.000 -3.278) 7.989 4.445 ( 3.026 -0.000 -1.530) 3.391 4.452 ( 5.491 -0.000 5.100) 7.494 4.597 ( 3.843 -0.000 -2.953) 4.847 4.667 ( 1.227 -0.000 -0.054) 1.228 4.702 ( -1.456 0.000 -6.722) 6.878 4.753 ( 0.421 -0.000 0.475) 0.634 4.811 ( 1.993 -0.000 -1.442) 2.460 4.909 ( 0.428 -0.000 2.977) 3.008 4.989 ( 3.752 -0.000 -5.440) 6.608 5.039 ( -2.656 0.000 6.617) 7.130 5.055 ( -0.083 0.000 4.770) 4.771 5.132 ( 4.831 -0.000 5.698) 7.470 5.239 ( 3.330 -0.000 -2.738) 4.311 5.277 ( -1.196 0.000 6.844) 6.948 5.405 ( -1.258 0.000 4.797) 4.959 5.480 ( -11.546 0.000 -9.088) 14.694 5.496 ( 2.804 -0.000 2.788) 3.954 5.566 ( -3.533 0.000 -1.256) 3.749 5.682 ( 1.486 -0.000 -3.580) 3.877 5.713 ( -0.620 0.000 -6.994) 7.021 5.744 ( 2.989 -0.000 1.618) 3.399 5.866 ( -1.649 0.000 2.777) 3.230 5.869 ( 0.407 -0.000 1.120) 1.192 5.940 ( -5.414 0.000 3.518) 6.457 6.093 ( -2.358 0.000 -7.058) 7.442 6.124 ( -1.037 0.000 1.803) 2.080 6.311 ( -4.502 0.000 -2.902) 5.357 6.361 ( 3.850 -0.000 5.943) 7.082 6.396 ( -2.093 0.000 -0.424) 2.136 6.468 ( 0.853 -0.000 -2.217) 2.375 6.516 ( 3.765 -0.000 2.272) 4.397 6.524 ( -3.502 0.000 -2.740) 4.447 6.692 ( 4.171 -0.000 -3.326) 5.335 6.713 ( 1.446 -0.000 -0.011) 1.446 6.743 ( 2.673 -0.000 0.975) 2.845 7.222 ( -3.052 0.000 -2.356) 3.856 7.256 ( 3.634 -0.000 5.844) 6.882 8.946 ( -0.814 0.000 2.185) 2.332 8.994 ( 1.022 -0.000 1.751) 2.028 9.048 ( 0.502 -0.000 -1.421) 1.507 9.060 ( -0.076 0.000 -1.565) 1.567 10.614 ( -0.978 0.000 -0.143) 0.988 10.627 ( -3.864 0.000 0.226) 3.871 10.643 ( -1.111 0.000 -2.037) 2.320 10.829 ( 2.752 -0.000 0.353) 2.775 10.933 ( -1.362 0.000 -1.426) 1.972 10.982 ( 2.375 -0.000 -2.740) 3.626 11.206 ( -3.612 0.000 0.096) 3.614 11.296 ( 1.132 -0.000 1.943) 2.249 11.513 ( -1.646 0.000 -0.488) 1.717 11.566 ( 1.858 -0.000 -0.436) 1.909 11.792 ( 0.046 -0.000 -4.915) 4.915 11.890 ( 7.047 -0.000 2.498) 7.477 12.287 ( -3.048 0.000 0.097) 3.049 12.387 ( -1.614 0.000 -0.342) 1.650 12.759 ( -4.273 0.000 -1.667) 4.587 12.947 ( -5.980 0.000 8.774) 10.618 13.060 ( 0.359 -0.000 5.625) 5.636 13.089 ( 4.852 -0.000 2.084) 5.280 13.151 ( 0.889 -0.000 2.012) 2.200 13.368 ( 3.264 -0.000 0.387) 3.287 13.489 ( -0.426 0.000 -4.066) 4.088 13.492 ( 6.274 -0.000 -1.066) 6.364 13.603 ( -0.655 0.000 -4.336) 4.385 13.653 ( -0.489 0.000 -3.945) 3.975 14.032 ( -3.537 0.000 5.019) 6.140 14.448 ( 4.331 -0.000 -3.102) 5.327 ======================= Grid point 92 (43/88) ======================= q-point: (-0.14 -0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( -18.165 -12.118 1.913) 21.920 0.751 ( -24.800 -4.664 -6.455) 26.048 1.416 ( -31.274 -31.197 -8.649) 45.013 1.528 ( 9.982 0.542 -7.456) 12.471 1.868 ( -1.848 1.600 -0.017) 2.444 1.984 ( -1.182 -4.132 -1.207) 4.464 2.039 ( 5.993 -2.226 1.187) 6.502 2.331 ( -2.407 0.547 -0.362) 2.495 2.385 ( 3.903 7.993 -1.424) 9.009 2.459 ( 1.158 5.207 -5.479) 7.647 2.495 ( 2.051 1.521 5.916) 6.443 2.575 ( 5.536 6.453 0.345) 8.509 2.594 ( -2.321 2.158 -3.579) 4.781 2.631 ( -3.166 -1.014 1.429) 3.619 2.723 ( 1.119 0.406 -0.990) 1.548 2.763 ( 7.366 -2.001 2.862) 8.152 2.889 ( -3.483 3.719 7.135) 8.768 2.924 ( -1.054 5.100 -8.154) 9.675 2.971 ( 1.855 -1.645 8.796) 9.139 3.056 ( 1.206 0.997 4.738) 4.989 3.091 ( 0.421 1.388 1.306) 1.952 3.093 ( 1.243 1.529 -5.911) 6.231 3.248 ( -0.967 1.512 -2.239) 2.870 3.309 ( 3.792 2.255 1.388) 4.625 3.367 ( -1.303 0.879 5.128) 5.364 3.411 ( -3.964 4.579 -1.529) 6.247 3.451 ( 2.138 -0.808 1.778) 2.896 3.565 ( 1.786 -5.801 1.466) 6.244 3.594 ( -0.424 2.390 -2.934) 3.808 3.658 ( -1.485 -4.700 0.554) 4.961 3.693 ( -1.274 2.898 -1.860) 3.672 3.750 ( -0.992 -0.110 -0.133) 1.007 3.789 ( -0.435 -3.997 0.302) 4.032 3.831 ( -2.809 -2.339 -2.768) 4.585 3.879 ( 0.734 -0.273 1.076) 1.331 3.943 ( 8.110 -4.810 1.928) 9.624 3.999 ( -6.527 1.052 -2.144) 6.950 4.091 ( 6.816 1.325 4.630) 8.346 4.172 ( -1.840 1.987 -3.635) 4.533 4.234 ( 3.247 -0.916 0.697) 3.445 4.277 ( -3.768 -2.660 0.923) 4.703 4.469 ( 2.459 0.356 1.392) 2.848 4.507 ( 5.446 1.694 0.821) 5.762 4.564 ( 2.834 2.514 -3.718) 5.308 4.636 ( 1.639 3.522 -0.950) 3.999 4.675 ( 0.690 2.049 0.732) 2.283 4.721 ( -1.774 1.030 -1.481) 2.530 4.850 ( 2.248 -3.036 -1.864) 4.213 4.901 ( -1.112 1.210 1.167) 2.015 4.976 ( 2.759 0.061 -5.086) 5.787 5.030 ( -2.607 4.439 2.786) 5.854 5.072 ( 0.241 2.888 3.085) 4.232 5.219 ( 0.157 1.592 -2.843) 3.262 5.251 ( 4.360 -1.311 0.902) 4.641 5.309 ( -4.664 0.494 3.798) 6.035 5.361 ( 0.459 -2.535 -1.480) 2.971 5.423 ( -2.263 0.544 1.972) 3.051 5.483 ( 0.478 0.812 -4.706) 4.799 5.561 ( -3.460 -2.636 -2.533) 5.033 5.638 ( -0.745 1.435 -7.213) 7.392 5.689 ( 0.642 -0.822 2.120) 2.363 5.744 ( -2.214 2.305 4.230) 5.302 5.851 ( -2.884 2.793 3.549) 5.359 5.876 ( 0.102 0.416 1.363) 1.429 5.902 ( -3.657 2.934 2.612) 5.367 5.962 ( -2.293 6.424 -2.836) 7.387 6.153 ( 1.353 -1.175 1.110) 2.108 6.239 ( -3.232 0.515 -3.214) 4.587 6.298 ( -3.159 6.727 -2.256) 7.767 6.358 ( 1.276 4.422 2.284) 5.138 6.393 ( 1.080 8.408 0.320) 8.483 6.527 ( 3.880 -0.807 -1.343) 4.185 6.581 ( -1.118 -6.317 0.727) 6.456 6.733 ( 1.809 -6.014 -1.191) 6.392 6.807 ( 1.372 -5.396 1.345) 5.728 6.893 ( 5.329 -11.017 -1.683) 12.354 7.198 ( -1.672 -1.288 -0.863) 2.280 7.323 ( 1.344 0.409 3.837) 4.087 8.946 ( -0.705 0.668 0.820) 1.271 9.014 ( 0.724 0.524 0.739) 1.159 9.033 ( 0.247 0.260 0.142) 0.385 9.062 ( 0.266 -1.020 -1.278) 1.657 10.605 ( -2.582 -0.743 0.018) 2.687 10.620 ( -1.004 -1.004 1.501) 2.066 10.634 ( -0.494 -0.955 -0.854) 1.373 10.845 ( 1.664 0.110 -0.613) 1.777 10.924 ( -0.732 -0.897 -0.434) 1.236 10.989 ( 2.048 -0.268 -0.341) 2.093 11.183 ( -3.837 -0.766 -0.034) 3.913 11.328 ( -0.815 -0.796 -0.262) 1.169 11.481 ( -1.840 0.510 -1.502) 2.430 11.558 ( 3.558 0.258 -2.695) 4.471 11.780 ( 1.040 -3.574 -2.993) 4.776 11.952 ( 6.074 1.992 1.842) 6.652 12.244 ( -3.649 2.274 2.737) 5.097 12.375 ( 0.509 -0.098 -2.627) 2.678 12.739 ( -3.709 -2.872 0.568) 4.725 12.952 ( -5.143 2.179 8.697) 10.336 13.064 ( 0.565 3.121 3.049) 4.400 13.144 ( -0.275 0.249 -0.151) 0.401 13.180 ( 3.798 1.273 1.865) 4.419 13.351 ( 1.059 1.440 -0.787) 1.953 13.441 ( 0.271 1.872 -3.086) 3.620 13.513 ( -1.081 -0.882 -4.675) 4.879 13.616 ( 3.416 -1.058 -5.036) 6.177 13.714 ( 4.516 -7.850 5.533) 10.613 14.032 ( -4.673 0.452 4.323) 6.382 14.410 ( 2.633 3.123 -7.129) 8.216 ======================= Grid point 99 (44/88) ======================= q-point: (-0.14 -0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.439 ( -23.356 0.000 11.609) 26.082 0.526 ( -30.886 0.000 2.676) 31.002 0.728 ( -41.718 0.000 7.681) 42.419 1.553 ( 6.300 -0.000 -4.331) 7.646 1.899 ( 4.873 -0.000 -1.236) 5.027 1.922 ( -0.136 0.000 -0.743) 0.755 2.080 ( 5.340 -0.000 0.083) 5.340 2.297 ( -2.293 0.000 -3.900) 4.524 2.484 ( 7.375 -0.000 -3.879) 8.333 2.487 ( -8.056 0.000 -5.754) 9.900 2.523 ( 3.628 -0.000 -5.414) 6.517 2.548 ( -7.348 0.000 2.308) 7.702 2.585 ( 0.894 -0.000 3.726) 3.832 2.665 ( 2.087 -0.000 -0.569) 2.163 2.709 ( 1.478 -0.000 -4.836) 5.057 2.815 ( 7.964 -0.000 -8.839) 11.898 2.903 ( -5.239 0.000 -10.401) 11.646 2.936 ( -5.660 0.000 7.321) 9.254 3.006 ( 1.065 -0.000 2.813) 3.008 3.049 ( 3.509 -0.000 -5.725) 6.714 3.107 ( 4.530 -0.000 -1.103) 4.662 3.130 ( 1.123 -0.000 5.187) 5.307 3.314 ( 1.495 -0.000 3.368) 3.685 3.373 ( -1.582 0.000 -5.805) 6.017 3.422 ( 2.101 -0.000 4.335) 4.817 3.437 ( 3.192 -0.000 6.483) 7.227 3.480 ( -0.234 0.000 0.327) 0.402 3.511 ( 0.155 -0.000 0.056) 0.165 3.615 ( -1.226 0.000 -1.090) 1.640 3.633 ( 0.119 -0.000 2.285) 2.288 3.692 ( 1.023 -0.000 -3.644) 3.785 3.713 ( -7.270 0.000 0.164) 7.272 3.737 ( 2.516 -0.000 4.315) 4.995 3.774 ( -1.797 0.000 -2.021) 2.704 3.874 ( 2.295 -0.000 0.965) 2.489 3.931 ( -6.504 0.000 -2.475) 6.959 3.984 ( 5.222 -0.000 3.450) 6.258 4.171 ( -6.860 0.000 -0.003) 6.860 4.190 ( 1.341 -0.000 -3.655) 3.893 4.248 ( 11.325 -0.000 7.781) 13.740 4.248 ( -0.843 0.000 2.130) 2.290 4.511 ( 2.383 -0.000 2.103) 3.178 4.526 ( -5.776 0.000 -3.790) 6.908 4.556 ( 2.736 -0.000 -4.217) 5.027 4.648 ( 3.275 -0.000 -2.616) 4.192 4.770 ( 7.882 -0.000 4.732) 9.193 4.773 ( 1.178 -0.000 0.300) 1.216 4.797 ( -0.531 0.000 -0.437) 0.687 4.905 ( -1.613 0.000 0.163) 1.621 4.924 ( 0.888 -0.000 -7.430) 7.483 5.092 ( -3.383 0.000 -16.348) 16.695 5.122 ( 0.915 -0.000 -0.262) 0.951 5.177 ( -5.454 0.000 -3.361) 6.406 5.254 ( 5.722 -0.000 -6.331) 8.534 5.326 ( 3.280 -0.000 1.221) 3.500 5.358 ( 0.790 -0.000 6.657) 6.703 5.425 ( -0.564 0.000 -0.786) 0.967 5.466 ( 1.769 -0.000 5.777) 6.041 5.503 ( -4.479 0.000 0.803) 4.550 5.597 ( 0.329 -0.000 -5.470) 5.480 5.705 ( -0.982 0.000 4.061) 4.178 5.756 ( -5.991 0.000 0.918) 6.061 5.875 ( -0.407 0.000 0.017) 0.407 5.883 ( 0.569 -0.000 2.042) 2.120 5.967 ( -2.004 0.000 7.821) 8.074 5.987 ( -2.228 0.000 -1.504) 2.688 6.150 ( -0.487 0.000 2.422) 2.471 6.174 ( -3.609 0.000 -2.029) 4.141 6.326 ( -2.030 0.000 -2.343) 3.100 6.437 ( -0.686 0.000 -0.124) 0.697 6.491 ( 4.406 -0.000 10.722) 11.592 6.495 ( 0.970 -0.000 -1.092) 1.461 6.596 ( 2.338 -0.000 1.595) 2.830 6.699 ( 2.410 -0.000 -1.696) 2.947 6.743 ( 1.728 -0.000 -0.087) 1.730 6.791 ( 1.049 -0.000 -1.143) 1.551 7.170 ( -0.454 0.000 -0.942) 1.045 7.364 ( -0.492 0.000 -1.945) 2.006 8.948 ( -0.556 0.000 -0.536) 0.773 9.030 ( 0.039 -0.000 -2.137) 2.138 9.036 ( 0.669 -0.000 1.751) 1.874 9.050 ( 0.259 -0.000 0.875) 0.912 10.572 ( -2.378 0.000 -0.248) 2.391 10.618 ( -0.413 0.000 2.058) 2.099 10.628 ( -0.117 0.000 0.843) 0.851 10.851 ( 0.960 -0.000 0.164) 0.974 10.909 ( -0.700 0.000 0.299) 0.761 11.036 ( 4.920 -0.000 8.351) 9.693 11.161 ( -2.778 0.000 3.381) 4.375 11.317 ( 0.081 -0.000 -0.280) 0.292 11.448 ( -4.464 0.000 -16.274) 16.876 11.461 ( -1.790 0.000 -0.612) 1.892 11.737 ( -0.318 0.000 -0.094) 0.331 12.037 ( 5.891 -0.000 1.458) 6.068 12.236 ( -3.569 0.000 0.032) 3.570 12.360 ( -0.432 0.000 -4.623) 4.643 12.702 ( -2.996 0.000 3.231) 4.406 13.063 ( 1.284 -0.000 18.914) 18.957 13.110 ( -0.657 0.000 0.999) 1.195 13.135 ( 0.555 -0.000 -1.768) 1.853 13.252 ( 5.468 -0.000 2.701) 6.098 13.349 ( 0.278 -0.000 -5.282) 5.289 13.447 ( 1.543 -0.000 -2.440) 2.887 13.503 ( 0.990 -0.000 -0.985) 1.397 13.603 ( 1.355 -0.000 7.316) 7.440 13.696 ( 3.828 -0.000 1.606) 4.151 14.036 ( -4.638 0.000 3.377) 5.737 14.323 ( -3.777 0.000 -27.186) 27.447 ======================= Grid point 100 (45/88) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 3.225 -0.000 21.890) 22.126 1.026 ( 3.711 -0.000 21.470) 21.788 1.539 ( 3.353 -0.000 -6.620) 7.420 1.676 ( -0.062 0.000 -11.645) 11.645 1.834 ( -0.520 0.000 31.688) 31.692 1.914 ( 5.890 -0.000 -1.900) 6.189 1.964 ( 9.404 -0.000 -0.863) 9.444 2.052 ( -2.825 0.000 -9.470) 9.882 2.153 ( -5.248 0.000 1.973) 5.606 2.265 ( 0.603 -0.000 -4.856) 4.893 2.397 ( -8.636 0.000 4.066) 9.545 2.438 ( 2.875 -0.000 -9.369) 9.800 2.544 ( 1.089 -0.000 -3.273) 3.449 2.661 ( 0.682 -0.000 0.179) 0.705 2.697 ( 5.348 -0.000 5.619) 7.757 2.714 ( -4.360 0.000 3.018) 5.302 2.776 ( -12.530 0.000 -7.733) 14.725 2.916 ( 4.839 -0.000 -6.864) 8.399 2.983 ( -5.355 0.000 0.625) 5.391 3.073 ( 5.430 -0.000 -7.578) 9.322 3.131 ( 8.045 -0.000 -0.126) 8.046 3.204 ( 1.312 -0.000 0.389) 1.369 3.220 ( 2.070 -0.000 -8.039) 8.301 3.298 ( -6.656 0.000 -2.113) 6.984 3.325 ( 8.205 -0.000 2.255) 8.510 3.430 ( -0.046 0.000 -2.027) 2.028 3.470 ( -2.940 0.000 4.675) 5.523 3.517 ( -11.993 0.000 1.761) 12.122 3.581 ( 2.278 -0.000 2.226) 3.185 3.592 ( 1.489 -0.000 -0.648) 1.624 3.660 ( 0.570 -0.000 1.353) 1.468 3.781 ( -2.056 0.000 -7.881) 8.145 3.800 ( 3.129 -0.000 3.091) 4.398 3.901 ( -8.101 0.000 0.365) 8.109 4.024 ( 7.069 -0.000 6.261) 9.443 4.044 ( -1.005 0.000 -1.227) 1.586 4.083 ( -2.607 0.000 2.408) 3.549 4.102 ( 3.296 -0.000 -1.371) 3.570 4.178 ( 10.354 -0.000 1.324) 10.438 4.262 ( -8.774 0.000 -0.307) 8.779 4.403 ( -2.199 0.000 3.741) 4.339 4.444 ( 0.918 -0.000 -5.416) 5.493 4.579 ( -6.416 0.000 4.267) 7.705 4.615 ( 3.233 -0.000 3.448) 4.726 4.618 ( -3.235 0.000 1.470) 3.553 4.736 ( 0.659 -0.000 0.631) 0.913 4.785 ( 7.216 -0.000 -3.694) 8.107 4.795 ( 2.579 -0.000 1.863) 3.182 4.844 ( -1.329 0.000 0.882) 1.595 4.866 ( 4.242 -0.000 0.698) 4.299 4.963 ( 1.256 -0.000 2.490) 2.789 5.032 ( -2.108 0.000 -3.952) 4.479 5.145 ( 5.257 -0.000 -4.949) 7.220 5.197 ( -2.086 0.000 -3.273) 3.882 5.290 ( -5.445 0.000 -0.605) 5.478 5.331 ( 4.716 -0.000 -0.884) 4.798 5.434 ( -4.403 0.000 4.445) 6.257 5.524 ( -6.453 0.000 1.572) 6.642 5.529 ( 1.839 -0.000 6.641) 6.891 5.612 ( -1.525 0.000 -3.403) 3.729 5.676 ( 5.405 -0.000 -0.965) 5.491 5.763 ( -1.534 0.000 -2.656) 3.067 5.867 ( 2.018 -0.000 1.568) 2.555 5.958 ( -4.741 0.000 -0.737) 4.798 6.104 ( 5.540 -0.000 6.906) 8.854 6.106 ( -2.046 0.000 5.864) 6.211 6.182 ( -3.647 0.000 3.535) 5.079 6.215 ( 3.127 -0.000 0.924) 3.261 6.323 ( 3.925 -0.000 -1.112) 4.079 6.445 ( -7.686 0.000 -8.330) 11.334 6.446 ( 3.216 -0.000 -0.295) 3.230 6.492 ( -0.913 0.000 2.821) 2.965 6.538 ( -2.602 0.000 -3.251) 4.164 6.639 ( 2.316 -0.000 -3.956) 4.584 6.764 ( -0.501 0.000 1.065) 1.177 6.879 ( 1.396 -0.000 -4.199) 4.425 7.172 ( 1.636 -0.000 0.168) 1.645 7.180 ( -0.719 0.000 -0.297) 0.777 8.909 ( -0.630 0.000 -0.292) 0.695 8.952 ( 0.528 -0.000 -2.219) 2.281 9.093 ( -0.054 0.000 1.047) 1.049 9.098 ( -0.042 0.000 0.946) 0.947 10.554 ( -0.175 0.000 0.958) 0.974 10.610 ( -0.531 0.000 -1.000) 1.132 10.703 ( 0.002 -0.000 2.491) 2.491 10.780 ( -1.686 0.000 -2.397) 2.931 10.974 ( 0.153 -0.000 4.166) 4.169 11.141 ( 2.242 -0.000 1.888) 2.931 11.183 ( -2.069 0.000 -3.248) 3.851 11.254 ( -0.320 0.000 -2.723) 2.742 11.491 ( 1.136 -0.000 1.348) 1.763 11.532 ( 2.333 -0.000 -2.365) 3.322 11.962 ( 13.008 -0.000 3.856) 13.567 12.069 ( -5.875 0.000 -1.614) 6.093 12.145 ( -7.300 0.000 -0.070) 7.300 12.164 ( 2.303 -0.000 -1.138) 2.569 12.791 ( -5.118 0.000 4.750) 6.983 12.978 ( 2.568 -0.000 -5.739) 6.287 13.000 ( -0.603 0.000 1.084) 1.240 13.137 ( 0.148 -0.000 -4.166) 4.168 13.297 ( -9.775 0.000 -0.286) 9.779 13.398 ( 0.559 -0.000 -5.358) 5.387 13.489 ( 0.864 -0.000 3.237) 3.351 13.505 ( 4.662 -0.000 2.719) 5.397 13.748 ( -0.638 0.000 5.144) 5.184 13.856 ( 1.016 -0.000 3.965) 4.093 13.939 ( -10.041 0.000 -1.572) 10.163 14.057 ( 15.271 -0.000 -3.499) 15.667 ======================= Grid point 101 (46/88) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 2.075 -8.990 18.357) 20.546 1.320 ( 8.541 -13.606 14.290) 21.501 1.533 ( 3.184 -4.348 -9.143) 10.613 1.588 ( 1.154 -6.216 -17.827) 18.915 1.902 ( -0.394 4.623 -2.379) 5.214 1.966 ( 3.491 6.361 -4.138) 8.353 1.991 ( 3.892 3.392 0.182) 5.166 2.092 ( 7.361 -0.979 3.690) 8.292 2.132 ( -0.830 -2.711 8.021) 8.508 2.316 ( 0.018 -0.768 9.187) 9.219 2.370 ( 0.978 -0.810 -7.546) 7.652 2.418 ( -2.419 -4.994 8.300) 9.984 2.528 ( 2.684 2.166 -0.307) 3.463 2.605 ( -1.871 3.172 0.510) 3.718 2.616 ( -7.176 0.537 -3.594) 8.043 2.742 ( -2.868 -2.039 0.306) 3.533 2.766 ( -0.416 0.642 1.613) 1.786 2.880 ( 0.699 -2.146 -5.252) 5.717 2.969 ( -0.611 -0.543 -2.457) 2.589 3.038 ( 4.025 1.752 -5.859) 7.321 3.080 ( -3.845 5.217 -3.648) 7.437 3.181 ( 2.725 2.770 0.901) 3.988 3.207 ( -1.086 1.802 -3.097) 3.744 3.259 ( 2.882 -0.112 -0.913) 3.025 3.390 ( 0.536 -1.489 3.609) 3.940 3.446 ( -4.658 -2.858 -2.563) 6.036 3.497 ( 2.068 -7.153 -0.081) 7.447 3.524 ( -1.770 -2.728 5.037) 5.995 3.589 ( -0.387 2.543 2.254) 3.420 3.631 ( 2.469 -1.665 -3.128) 4.319 3.698 ( 3.158 -2.763 1.507) 4.458 3.736 ( -0.629 -3.654 -5.588) 6.706 3.808 ( -4.456 1.444 0.608) 4.724 3.859 ( 1.961 1.260 1.802) 2.947 3.968 ( -4.924 5.427 0.912) 7.384 4.044 ( -5.718 -0.111 3.684) 6.803 4.085 ( 3.369 2.361 -0.412) 4.135 4.170 ( -1.472 1.698 1.591) 2.754 4.199 ( 3.639 0.405 -1.331) 3.896 4.262 ( 6.458 -1.594 -1.085) 6.740 4.395 ( -3.084 0.737 0.060) 3.171 4.419 ( 1.612 0.371 -0.141) 1.660 4.522 ( -5.436 3.784 3.315) 7.407 4.559 ( -1.069 3.421 -0.454) 3.613 4.687 ( -0.235 -1.561 3.915) 4.221 4.749 ( -1.350 0.534 -1.350) 1.983 4.783 ( -2.433 -1.930 -1.942) 3.662 4.831 ( 3.260 0.489 -0.537) 3.340 4.843 ( 6.357 1.809 -1.243) 6.725 4.870 ( -0.963 2.547 -1.295) 3.015 4.974 ( 1.498 1.741 1.133) 2.561 5.033 ( 2.727 -2.861 -0.784) 4.029 5.143 ( -5.018 -0.657 -3.940) 6.413 5.186 ( 4.820 -3.274 -1.473) 6.010 5.265 ( -3.274 -2.835 0.994) 4.443 5.383 ( 3.531 -2.401 -0.914) 4.367 5.444 ( -0.965 1.239 4.810) 5.059 5.491 ( -5.728 0.489 4.114) 7.069 5.542 ( 1.052 3.205 -0.857) 3.480 5.622 ( 2.545 -1.238 2.727) 3.931 5.687 ( -2.622 2.702 -4.450) 5.829 5.703 ( 2.380 0.223 -1.904) 3.056 5.891 ( 1.769 2.063 2.860) 3.945 5.908 ( -1.999 1.122 -0.688) 2.394 6.065 ( 0.757 9.060 5.632) 10.694 6.086 ( -1.500 6.332 2.955) 7.147 6.207 ( -1.236 3.306 0.082) 3.531 6.235 ( -4.154 3.512 -3.718) 6.589 6.266 ( 2.269 -0.775 3.317) 4.093 6.341 ( -0.292 2.873 -2.083) 3.561 6.400 ( 2.146 7.070 0.739) 7.425 6.462 ( 1.064 1.334 -4.882) 5.172 6.613 ( -0.299 -8.973 2.600) 9.347 6.702 ( 2.644 -7.614 -2.836) 8.545 6.815 ( -2.864 -4.963 1.179) 5.850 6.911 ( 0.232 -7.071 -3.855) 8.057 7.168 ( -0.996 -0.319 0.504) 1.161 7.218 ( 2.324 -2.900 -0.817) 3.805 8.905 ( -0.709 -0.271 0.384) 0.851 8.945 ( 0.401 -0.505 -1.857) 1.966 9.091 ( -0.374 0.812 1.003) 1.343 9.104 ( -0.013 0.071 0.230) 0.241 10.574 ( 0.875 -0.932 1.185) 1.743 10.608 ( 0.846 -0.642 -1.006) 1.463 10.724 ( 0.666 -0.007 2.696) 2.777 10.760 ( -0.650 -0.725 -1.963) 2.191 11.011 ( 0.478 0.269 4.494) 4.528 11.114 ( -1.124 2.492 -3.948) 4.802 11.195 ( 1.688 -2.426 2.628) 3.955 11.244 ( -1.111 -2.019 -3.310) 4.033 11.501 ( 0.031 0.595 0.306) 0.669 11.515 ( -0.372 0.801 -1.521) 1.759 11.958 ( -6.491 3.093 -1.297) 7.306 12.047 ( 7.399 3.140 0.285) 8.043 12.111 ( -6.990 -1.662 1.597) 7.360 12.243 ( 6.813 -4.757 -0.814) 8.349 12.806 ( -3.695 -2.227 4.270) 6.070 12.945 ( 0.630 1.915 -1.336) 2.418 13.016 ( 0.719 -0.505 0.651) 1.093 13.088 ( -1.873 2.163 -4.308) 5.172 13.214 ( -8.046 0.174 3.951) 8.966 13.367 ( -2.590 -2.159 -3.852) 5.119 13.481 ( 1.365 4.480 1.658) 4.969 13.568 ( 6.705 0.859 -0.150) 6.761 13.719 ( -5.871 3.561 1.746) 7.085 13.825 ( 1.116 4.737 -0.990) 4.966 13.957 ( -1.945 -7.511 4.319) 8.880 14.168 ( 9.199 -3.237 -5.414) 11.154 ======================= Grid point 102 (47/88) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -0.400 -5.502 9.112) 10.651 1.569 ( 1.568 -8.602 -8.779) 12.390 1.585 ( 2.152 -4.760 -8.337) 9.839 1.699 ( 7.149 -8.659 0.630) 11.247 1.781 ( 1.276 6.499 -3.524) 7.502 1.871 ( 1.680 0.093 7.868) 8.046 1.996 ( 4.531 5.020 0.132) 6.763 2.121 ( 8.892 2.216 -4.967) 10.424 2.213 ( 0.043 -4.042 -1.661) 4.370 2.288 ( 2.158 0.900 -1.389) 2.720 2.370 ( -6.161 -3.684 3.049) 7.799 2.510 ( -0.980 0.924 -0.165) 1.358 2.531 ( -2.674 0.378 -1.326) 3.009 2.570 ( -1.097 1.707 6.149) 6.475 2.659 ( -1.164 -1.957 0.489) 2.329 2.776 ( -0.535 -1.480 1.024) 1.878 2.784 ( -1.383 -7.409 5.664) 9.428 2.881 ( 2.131 -0.132 -7.281) 7.587 2.938 ( 6.052 -2.169 0.452) 6.445 2.989 ( -1.249 -0.908 -0.236) 1.562 3.033 ( 1.463 3.004 -1.267) 3.574 3.111 ( -3.440 1.544 -1.857) 4.203 3.225 ( 2.844 -1.011 1.798) 3.513 3.259 ( 3.487 2.886 1.350) 4.724 3.413 ( -3.194 -2.039 -2.561) 4.574 3.463 ( -6.444 -3.182 -0.065) 7.187 3.536 ( -0.220 0.898 2.427) 2.597 3.547 ( 1.139 1.688 0.226) 2.049 3.606 ( 1.370 0.301 1.844) 2.317 3.703 ( 0.658 -7.304 -3.671) 8.201 3.755 ( 1.532 -1.615 0.805) 2.367 3.784 ( 2.925 -1.068 1.401) 3.415 3.797 ( -2.784 1.949 0.354) 3.417 3.839 ( -2.730 -1.834 0.791) 3.383 3.865 ( 2.324 1.455 1.012) 2.923 4.016 ( -4.443 2.723 2.820) 5.926 4.080 ( -0.779 -0.636 -0.480) 1.114 4.139 ( -1.547 0.790 -0.407) 1.785 4.148 ( -0.122 6.405 -1.151) 6.509 4.296 ( -0.723 0.807 2.445) 2.674 4.337 ( -1.779 2.324 -2.719) 3.995 4.434 ( 4.856 3.429 -2.412) 6.416 4.464 ( -1.309 2.368 3.450) 4.384 4.519 ( 1.402 0.866 0.789) 1.827 4.675 ( -4.901 1.148 -1.178) 5.170 4.710 ( 0.593 4.742 2.660) 5.469 4.781 ( -1.039 -1.170 -1.166) 1.952 4.798 ( -1.138 -1.605 -1.352) 2.387 4.842 ( 5.007 2.685 -2.378) 6.159 4.881 ( 2.630 -2.041 -2.290) 4.041 4.968 ( 4.046 2.704 0.068) 4.867 5.057 ( -1.856 1.930 -1.877) 3.270 5.118 ( 0.563 -3.708 -1.723) 4.127 5.261 ( -0.277 -3.981 -0.700) 4.051 5.332 ( -1.123 -6.006 0.269) 6.115 5.387 ( -3.275 0.105 -1.936) 3.806 5.443 ( -1.282 2.078 -0.191) 2.449 5.476 ( -3.362 0.967 4.387) 5.611 5.508 ( 0.293 2.979 -1.490) 3.344 5.585 ( 1.128 1.376 -0.983) 2.033 5.684 ( 3.948 0.580 3.185) 5.106 5.715 ( 1.604 -0.437 -0.427) 1.717 5.865 ( -1.214 2.462 0.890) 2.886 5.889 ( 0.763 0.829 -0.160) 1.138 5.962 ( -1.102 5.816 0.093) 5.920 6.004 ( 2.027 7.627 4.170) 8.926 6.094 ( -4.219 4.427 -0.667) 6.152 6.169 ( -3.589 -0.182 -1.134) 3.768 6.245 ( 1.372 8.297 -1.207) 8.495 6.309 ( -0.942 0.850 4.029) 4.224 6.375 ( 3.682 2.002 0.700) 4.249 6.425 ( 3.386 0.218 -5.121) 6.143 6.740 ( -2.416 -6.198 1.124) 6.746 6.814 ( 2.093 -6.298 -1.508) 6.806 6.876 ( -1.778 -4.197 2.041) 4.994 6.989 ( 1.339 -5.464 -3.666) 6.714 7.181 ( -2.490 -2.590 1.355) 3.839 7.281 ( 2.952 -2.786 -0.149) 4.062 8.912 ( -0.831 -0.660 0.961) 1.432 8.945 ( 0.404 -0.794 -1.274) 1.555 9.082 ( -0.406 0.921 0.987) 1.410 9.098 ( 0.029 0.508 -0.543) 0.744 10.602 ( 0.963 -0.848 0.476) 1.368 10.625 ( 1.565 -0.615 0.025) 1.682 10.747 ( -0.227 -0.014 -0.393) 0.454 10.767 ( 1.496 -1.140 1.737) 2.561 11.032 ( 0.268 1.527 2.849) 3.244 11.039 ( -0.839 2.461 -2.691) 3.742 11.230 ( -2.428 -1.830 -3.450) 4.598 11.275 ( 1.061 -3.236 1.088) 3.575 11.472 ( -2.210 0.612 -0.999) 2.501 11.494 ( -0.458 0.621 -0.512) 0.926 11.888 ( -2.840 0.705 0.578) 2.983 12.021 ( 3.376 4.730 -1.001) 5.897 12.109 ( -5.445 -2.593 3.538) 6.992 12.350 ( 6.922 -2.085 -1.332) 7.351 12.851 ( -3.151 -2.551 3.732) 5.510 12.920 ( -1.850 0.652 2.326) 3.043 13.013 ( -1.836 -0.136 -3.335) 3.809 13.035 ( 1.070 -0.329 0.387) 1.184 13.200 ( -3.855 1.055 2.900) 4.938 13.349 ( -5.492 -1.826 -0.894) 5.857 13.426 ( 4.739 6.029 -0.432) 7.681 13.541 ( -3.634 2.853 -3.610) 5.863 13.618 ( -2.128 -0.069 -5.107) 5.533 13.835 ( 5.521 1.772 4.956) 7.627 14.084 ( 0.225 -5.728 3.600) 6.769 14.218 ( 4.980 -1.310 -4.480) 6.825 ======================= Grid point 103 (48/88) ======================= q-point: (-0.57 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -3.994 6.211 5.559) 9.243 1.515 ( 4.648 9.329 -1.726) 10.565 1.611 ( -0.178 -3.291 -8.471) 9.090 1.755 ( -2.220 -4.877 0.750) 5.411 1.788 ( 7.968 3.146 0.845) 8.608 1.851 ( -2.300 2.064 -3.949) 5.014 2.095 ( 7.218 -5.673 -6.762) 11.402 2.179 ( 5.849 -2.303 7.559) 9.831 2.285 ( -0.926 -1.551 2.083) 2.757 2.313 ( 2.904 -7.145 -3.599) 8.511 2.374 ( -1.109 -1.088 1.965) 2.505 2.490 ( -1.581 4.785 -0.119) 5.041 2.526 ( 0.437 -3.482 -0.971) 3.641 2.563 ( -0.611 -1.091 1.674) 2.090 2.703 ( 0.457 -1.447 -1.318) 2.009 2.748 ( -4.059 0.089 0.980) 4.177 2.850 ( 4.013 -1.758 -0.740) 4.443 2.912 ( -3.367 -2.472 -1.644) 4.489 2.947 ( 0.527 -1.415 1.198) 1.928 3.009 ( 0.679 -0.919 -5.955) 6.064 3.054 ( 1.741 -1.453 1.613) 2.783 3.148 ( -1.518 -0.585 5.661) 5.890 3.189 ( 0.298 3.261 -0.356) 3.294 3.336 ( -1.705 -1.004 -0.535) 2.050 3.372 ( 1.309 1.256 1.084) 2.113 3.412 ( -1.510 -1.600 -3.584) 4.206 3.502 ( -0.005 2.459 -0.320) 2.480 3.561 ( -0.099 0.970 2.388) 2.579 3.609 ( -1.737 0.886 0.510) 2.016 3.724 ( -0.424 0.215 0.463) 0.664 3.731 ( -2.713 0.726 -0.447) 2.844 3.741 ( -3.129 6.025 3.573) 7.672 3.767 ( -3.920 2.282 2.506) 5.182 3.911 ( 1.543 -3.965 1.203) 4.421 3.944 ( -3.471 -0.647 0.624) 3.585 3.956 ( 5.221 -1.106 -0.683) 5.380 4.065 ( 2.175 -0.434 -0.343) 2.244 4.102 ( 1.659 0.098 -3.165) 3.575 4.168 ( -0.665 -5.535 0.806) 5.633 4.266 ( 1.452 4.532 -0.012) 4.759 4.313 ( 0.141 -0.384 3.644) 3.667 4.394 ( 2.763 3.019 -1.279) 4.288 4.457 ( 0.914 1.782 3.338) 3.893 4.528 ( 1.658 0.141 -0.016) 1.664 4.635 ( -1.080 -0.929 1.565) 2.116 4.678 ( 0.936 4.359 2.854) 5.293 4.757 ( -0.914 3.024 0.099) 3.161 4.799 ( -0.802 1.009 -3.576) 3.801 4.851 ( 3.387 -1.655 -0.857) 3.866 4.903 ( 2.079 -1.379 -3.845) 4.584 4.952 ( 1.161 0.956 -1.122) 1.876 5.005 ( -0.473 0.645 -1.218) 1.457 5.158 ( 0.052 -3.975 -5.129) 6.489 5.259 ( -3.517 0.656 -3.641) 5.105 5.277 ( -5.527 4.150 -3.526) 7.759 5.366 ( -3.996 -2.059 -3.095) 5.458 5.415 ( 1.376 1.324 -1.910) 2.702 5.441 ( -3.382 -1.417 2.191) 4.271 5.511 ( -0.168 -1.582 4.076) 4.376 5.629 ( 3.788 -0.612 0.574) 3.880 5.706 ( 1.785 1.954 2.824) 3.870 5.741 ( 0.648 -1.180 1.050) 1.707 5.836 ( -1.604 0.381 0.591) 1.752 5.883 ( 0.031 2.091 0.640) 2.187 5.928 ( 1.606 1.401 2.404) 3.213 5.955 ( 2.755 3.382 2.860) 5.216 6.039 ( -1.978 -0.491 0.579) 2.119 6.117 ( -2.056 3.099 -2.642) 4.562 6.154 ( 0.507 2.165 0.119) 2.227 6.320 ( -0.406 0.605 3.032) 3.119 6.342 ( -0.019 1.866 -3.405) 3.882 6.440 ( 4.131 -0.266 -1.519) 4.410 6.776 ( -3.378 -1.936 0.161) 3.897 6.885 ( 1.408 -1.979 -0.669) 2.519 6.925 ( -0.420 -1.593 1.127) 1.996 7.027 ( 2.148 -1.317 -3.062) 3.965 7.225 ( -2.399 -3.673 2.114) 4.870 7.333 ( 2.372 -0.725 0.287) 2.497 8.920 ( -0.807 -0.623 0.313) 1.067 8.959 ( 0.405 -1.201 0.261) 1.294 9.074 ( -0.200 0.790 0.876) 1.196 9.082 ( 0.111 0.723 -1.111) 1.330 10.623 ( 0.728 -0.762 0.097) 1.058 10.643 ( 0.847 0.315 0.958) 1.317 10.730 ( -0.662 0.659 -1.394) 1.678 10.820 ( 2.026 -0.969 2.936) 3.697 10.983 ( -0.577 1.723 -1.403) 2.296 11.027 ( 0.293 1.797 1.490) 2.353 11.196 ( -3.233 -0.678 -3.590) 4.878 11.296 ( -2.120 -0.860 -2.126) 3.123 11.463 ( -0.966 -1.132 0.199) 1.502 11.484 ( 0.092 -0.165 -0.130) 0.229 11.883 ( -0.369 -0.251 1.334) 1.407 11.975 ( 3.279 4.296 0.385) 5.418 12.157 ( -4.096 -4.517 4.830) 7.779 12.385 ( 5.122 1.869 -2.575) 6.030 12.864 ( -2.817 -0.634 1.357) 3.190 12.941 ( -1.479 -2.188 2.064) 3.352 13.015 ( -0.603 -3.263 -1.321) 3.572 13.064 ( 1.035 -1.217 1.443) 2.153 13.122 ( -5.571 6.041 2.913) 8.719 13.327 ( -3.775 -1.816 -0.181) 4.193 13.397 ( 5.054 2.508 -2.116) 6.026 13.454 ( -6.241 -1.916 -5.492) 8.531 13.578 ( 3.950 2.169 -4.259) 6.201 13.902 ( 2.610 -0.180 5.585) 6.168 14.159 ( 1.624 0.411 1.826) 2.478 14.242 ( 2.094 -2.461 -2.683) 4.200 ======================= Grid point 104 (49/88) ======================= q-point: (-0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( -4.950 13.938 11.587) 18.789 1.384 ( -1.041 18.213 6.666) 19.422 1.538 ( 3.135 4.545 0.879) 5.591 1.741 ( -0.058 -5.563 -7.537) 9.369 1.782 ( -4.112 -0.197 -1.748) 4.473 1.974 ( 6.025 -9.070 -4.610) 11.824 2.133 ( 2.861 -6.814 -9.006) 11.650 2.222 ( -2.680 7.693 -0.398) 8.156 2.281 ( 1.438 5.332 -2.950) 6.261 2.333 ( 4.793 3.131 3.311) 6.614 2.422 ( -2.115 -2.387 2.664) 4.155 2.498 ( -1.292 -1.380 2.062) 2.798 2.524 ( -1.416 0.242 -4.455) 4.680 2.613 ( 3.455 -4.804 -1.127) 6.024 2.648 ( -7.402 6.291 2.478) 10.025 2.725 ( 0.724 -1.010 -1.911) 2.279 2.862 ( 3.367 -1.176 0.143) 3.570 2.945 ( 1.375 -1.907 -1.863) 3.000 2.963 ( -2.553 0.219 -3.236) 4.127 3.018 ( -5.262 0.048 2.655) 5.894 3.050 ( -0.522 -0.093 -0.088) 0.538 3.120 ( 2.075 -0.280 4.570) 5.027 3.193 ( -1.720 -2.303 3.987) 4.915 3.272 ( 0.338 1.772 -3.222) 3.693 3.365 ( -3.516 -0.508 -2.544) 4.370 3.450 ( 1.080 -0.894 0.701) 1.568 3.485 ( -1.138 -1.290 -1.703) 2.421 3.583 ( -0.169 0.556 0.352) 0.680 3.595 ( 1.461 -1.376 2.783) 3.431 3.682 ( -0.912 2.028 2.135) 3.082 3.716 ( 0.087 -0.906 1.899) 2.106 3.768 ( -1.074 0.389 2.107) 2.396 3.775 ( 0.486 -3.577 4.373) 5.671 3.909 ( -0.099 0.846 -1.789) 1.982 3.930 ( -1.043 3.163 -5.967) 6.833 3.962 ( 0.770 -1.209 -0.979) 1.736 4.049 ( 1.679 2.438 2.012) 3.580 4.119 ( 2.755 1.230 0.164) 3.022 4.221 ( 4.211 3.202 -1.860) 5.608 4.260 ( -0.128 -1.254 2.120) 2.467 4.371 ( 1.935 -2.903 2.755) 4.446 4.414 ( 1.821 -2.293 2.189) 3.656 4.469 ( 0.353 0.556 1.630) 1.758 4.529 ( -0.217 1.170 -0.878) 1.479 4.641 ( -4.236 1.380 3.191) 5.480 4.684 ( 2.496 0.240 0.308) 2.526 4.717 ( 4.631 1.908 1.225) 5.156 4.755 ( -0.939 -1.259 -0.209) 1.584 4.868 ( 0.236 -1.210 -1.687) 2.089 4.894 ( 1.343 0.063 -5.070) 5.245 4.979 ( -1.322 -3.394 -0.452) 3.670 5.004 ( 3.048 0.867 0.722) 3.250 5.127 ( -1.601 0.339 -8.497) 8.653 5.153 ( -1.951 1.516 -1.366) 2.823 5.241 ( -1.970 -4.254 -2.915) 5.520 5.334 ( -4.562 -1.934 -3.742) 6.209 5.413 ( 4.440 1.143 -0.770) 4.649 5.455 ( -2.483 -0.744 4.089) 4.841 5.551 ( 0.338 -0.242 1.385) 1.446 5.651 ( 1.440 0.994 -0.468) 1.811 5.727 ( -1.593 -1.723 2.875) 3.711 5.763 ( -1.367 -1.910 -0.070) 2.350 5.817 ( -1.102 2.113 1.436) 2.783 5.856 ( -1.674 1.054 1.104) 2.266 5.922 ( -2.298 0.834 4.285) 4.933 5.983 ( 2.430 1.066 1.640) 3.120 6.065 ( 1.253 0.502 -1.758) 2.216 6.091 ( 0.930 -5.507 -0.546) 5.612 6.158 ( -0.479 -3.082 0.509) 3.160 6.284 ( -2.414 -0.382 -4.389) 5.023 6.346 ( 1.831 0.697 4.583) 4.984 6.465 ( 3.774 -0.735 -2.526) 4.600 6.758 ( -2.079 1.729 0.949) 2.866 6.881 ( 1.084 2.936 -1.056) 3.303 6.935 ( 0.128 0.825 0.808) 1.162 7.019 ( 2.115 1.860 -2.515) 3.776 7.258 ( -0.491 0.016 1.081) 1.187 7.342 ( -0.614 0.528 -0.042) 0.811 8.922 ( -0.526 -0.420 -0.349) 0.758 8.987 ( 0.280 -1.279 0.878) 1.577 9.057 ( -0.058 0.935 -1.020) 1.385 9.076 ( 0.284 0.253 0.664) 0.765 10.634 ( -0.540 0.791 -0.108) 0.964 10.643 ( 0.187 0.014 1.171) 1.186 10.698 ( -1.130 1.418 -0.459) 1.870 10.858 ( 0.936 0.328 1.769) 2.028 10.956 ( -0.140 0.934 -0.077) 0.947 11.023 ( 0.845 0.329 1.497) 1.750 11.163 ( -1.463 -0.679 -1.550) 2.237 11.259 ( -2.883 0.058 -2.115) 3.576 11.466 ( -1.026 0.043 -0.113) 1.033 11.505 ( 1.590 -2.033 -0.606) 2.651 11.902 ( 1.451 -0.671 -0.184) 1.610 11.956 ( 2.515 2.988 2.327) 4.546 12.233 ( -3.624 -4.362 4.561) 7.277 12.347 ( 3.404 4.159 -4.167) 6.800 12.862 ( 0.110 0.742 0.609) 0.967 12.974 ( -1.540 -2.479 -0.052) 2.919 13.015 ( -5.153 2.245 3.091) 6.414 13.055 ( -0.347 -3.390 -0.695) 3.478 13.135 ( 0.581 -2.946 4.369) 5.301 13.337 ( -2.208 -2.596 -0.130) 3.411 13.372 ( 1.685 1.876 -3.558) 4.361 13.409 ( -0.945 -0.731 -3.641) 3.832 13.557 ( 4.925 1.218 -3.673) 6.264 13.954 ( 0.101 0.240 4.296) 4.304 14.139 ( -0.390 3.405 0.873) 3.537 14.266 ( 1.408 -0.762 -2.996) 3.397 ======================= Grid point 105 (50/88) ======================= q-point: (-0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 0.147 22.275 12.394) 25.491 1.227 ( -9.109 15.443 19.825) 26.730 1.540 ( 4.566 1.467 0.709) 4.847 1.642 ( -6.129 8.973 0.094) 10.866 1.806 ( 2.989 -6.364 -7.424) 10.225 1.923 ( -6.516 16.675 6.281) 18.973 2.060 ( -4.169 -5.452 -4.762) 8.353 2.161 ( -0.504 3.744 0.135) 3.780 2.230 ( -0.646 -2.481 -6.830) 7.295 2.370 ( 4.458 0.991 0.649) 4.613 2.432 ( 0.020 0.207 -0.813) 0.839 2.479 ( -0.016 -1.217 -1.173) 1.691 2.533 ( -4.229 -3.457 -4.763) 7.247 2.552 ( -0.011 -3.037 -4.278) 5.246 2.674 ( 2.628 -1.139 -2.410) 3.743 2.731 ( 3.027 1.673 -2.157) 4.076 2.896 ( 2.370 1.735 -5.895) 6.586 2.942 ( 0.581 -6.818 0.206) 6.846 2.965 ( -4.773 -2.907 0.841) 5.651 2.998 ( 0.328 -0.409 0.342) 0.626 3.049 ( -0.532 0.980 0.242) 1.141 3.171 ( -1.234 1.203 2.135) 2.743 3.250 ( -3.845 -1.832 3.246) 5.355 3.272 ( 5.256 -0.523 1.414) 5.468 3.346 ( -3.095 -2.167 -1.706) 4.145 3.439 ( 0.368 1.491 -0.929) 1.795 3.501 ( -0.538 -4.083 0.744) 4.185 3.561 ( 1.640 2.888 -0.641) 3.382 3.661 ( 1.485 0.945 -0.517) 1.835 3.666 ( -2.982 0.356 3.952) 4.963 3.714 ( -1.498 4.371 0.130) 4.622 3.746 ( -1.526 -0.497 1.350) 2.098 3.810 ( -0.241 1.168 -0.800) 1.436 3.870 ( -2.338 2.236 0.160) 3.239 3.875 ( -2.470 -3.916 4.858) 6.711 4.041 ( 3.741 2.555 -0.706) 4.585 4.081 ( 8.695 -1.817 3.285) 9.471 4.091 ( 0.485 1.000 1.829) 2.140 4.176 ( 0.721 2.844 -5.813) 6.512 4.295 ( 0.499 -2.428 2.277) 3.366 4.409 ( -4.796 0.575 0.332) 4.841 4.450 ( 0.694 -1.274 -1.153) 1.853 4.488 ( 3.164 -3.534 1.172) 4.887 4.515 ( 2.136 3.231 1.674) 4.220 4.608 ( -5.813 -0.466 -0.140) 5.833 4.692 ( 2.877 -0.834 1.935) 3.566 4.772 ( 5.270 0.083 0.368) 5.283 4.806 ( -2.082 -4.192 -1.227) 4.839 4.841 ( 3.058 3.334 -2.772) 5.306 4.886 ( -0.822 -1.972 -4.150) 4.668 4.932 ( -2.704 2.355 0.250) 3.594 5.068 ( -0.167 -2.378 1.090) 2.621 5.107 ( 4.425 -3.295 -4.593) 7.179 5.156 ( 3.949 1.144 5.196) 6.626 5.256 ( 1.503 -1.652 -6.663) 7.028 5.333 ( -7.406 -6.334 1.401) 9.845 5.408 ( 3.056 1.364 -2.174) 3.991 5.509 ( 3.632 -0.057 4.812) 6.029 5.555 ( -1.135 -0.301 0.478) 1.268 5.621 ( -0.877 2.390 -0.130) 2.549 5.732 ( -6.743 -1.406 -0.590) 6.914 5.778 ( -1.087 0.772 -0.437) 1.404 5.806 ( -0.505 -2.805 2.359) 3.700 5.849 ( -1.069 -1.804 -0.286) 2.116 5.935 ( -4.489 -1.986 3.915) 6.279 6.005 ( 0.310 -0.510 3.693) 3.741 6.094 ( 1.920 -4.345 -1.169) 4.892 6.147 ( 0.971 -2.089 0.239) 2.316 6.247 ( -1.765 -0.730 -0.565) 1.991 6.266 ( -0.434 -8.697 -0.859) 8.750 6.403 ( 2.482 -1.545 2.547) 3.878 6.487 ( 3.526 -1.606 -3.342) 5.117 6.704 ( -1.689 5.162 2.013) 5.792 6.811 ( 1.619 6.092 -1.479) 6.474 6.915 ( 0.298 3.455 0.794) 3.558 6.973 ( 3.613 4.227 -2.798) 6.225 7.232 ( 1.536 3.753 -0.509) 4.087 7.302 ( -4.963 1.421 -1.017) 5.262 8.920 ( -0.350 -0.296 -0.565) 0.727 8.997 ( 0.340 0.332 -1.709) 1.773 9.050 ( -0.095 -0.532 1.151) 1.272 9.083 ( 0.419 0.052 0.855) 0.953 10.599 ( -1.399 1.822 -0.270) 2.313 10.661 ( -0.046 -0.374 1.596) 1.640 10.664 ( -1.660 1.320 0.214) 2.131 10.854 ( -0.853 0.807 -0.253) 1.201 10.947 ( -0.085 0.634 0.972) 1.164 11.063 ( 1.842 -2.009 2.381) 3.619 11.160 ( -0.900 -0.432 -0.088) 1.003 11.246 ( 0.753 -0.956 1.226) 1.727 11.451 ( -0.076 0.861 -0.068) 0.867 11.538 ( 2.292 -1.232 -2.962) 3.942 11.892 ( 3.706 4.833 -0.007) 6.091 11.981 ( 0.455 -2.631 1.651) 3.139 12.267 ( -0.744 3.233 -2.288) 4.029 12.278 ( -2.093 -0.981 0.111) 2.315 12.842 ( -1.080 3.246 3.375) 4.805 12.983 ( -1.462 -1.801 -2.564) 3.458 13.022 ( -2.104 -3.767 -0.672) 4.366 13.107 ( 1.515 -4.237 0.316) 4.511 13.239 ( -0.085 -5.012 6.609) 8.295 13.330 ( 1.391 0.990 -0.634) 1.821 13.371 ( -1.731 -2.842 -0.295) 3.341 13.393 ( 3.710 0.882 -1.796) 4.215 13.565 ( 4.413 -0.506 -3.011) 5.367 13.954 ( -0.884 2.145 0.900) 2.489 14.079 ( -5.060 3.171 1.988) 6.294 14.221 ( 1.780 4.634 -5.153) 7.155 ======================= Grid point 106 (51/88) ======================= q-point: (-0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 0.303 13.265 20.737) 24.618 0.955 ( -5.714 23.460 14.569) 28.200 1.556 ( 3.862 1.343 -1.466) 4.343 1.588 ( -5.314 9.372 35.558) 37.154 1.815 ( 1.704 -1.125 -7.528) 7.800 1.864 ( 5.053 -4.101 -6.142) 8.948 1.983 ( 0.062 5.744 -4.140) 7.081 2.129 ( -5.835 -4.310 -3.421) 8.020 2.170 ( -5.395 -2.076 -8.580) 10.346 2.321 ( -2.732 2.216 -2.844) 4.523 2.443 ( -4.295 -0.033 3.499) 5.540 2.472 ( 0.015 -1.724 -6.952) 7.163 2.548 ( 3.444 -3.907 -5.583) 7.635 2.586 ( -1.052 -2.171 0.361) 2.439 2.671 ( 3.382 3.685 1.560) 5.240 2.723 ( 0.350 -1.150 0.959) 1.538 2.903 ( 8.872 0.062 -4.709) 10.044 2.921 ( -8.151 0.483 -4.214) 9.188 3.006 ( -2.381 -1.119 -0.561) 2.689 3.032 ( 2.472 -1.033 0.559) 2.737 3.069 ( 1.703 -5.905 -2.158) 6.513 3.192 ( 7.489 -0.487 -0.752) 7.543 3.224 ( -3.092 -0.422 -1.415) 3.426 3.300 ( 1.583 2.657 -1.682) 3.520 3.325 ( -3.965 -2.990 -0.908) 5.048 3.471 ( 1.199 1.685 -1.018) 2.305 3.499 ( -1.750 -1.097 3.356) 3.941 3.522 ( -2.727 3.957 1.152) 4.942 3.620 ( -1.799 2.731 -0.311) 3.285 3.630 ( -3.712 2.325 1.570) 4.653 3.666 ( -1.024 0.033 0.419) 1.107 3.738 ( 1.076 -0.336 -0.115) 1.133 3.831 ( -0.352 -0.872 0.899) 1.301 3.918 ( 3.531 -3.099 5.405) 7.162 3.945 ( 0.896 1.132 -1.269) 1.922 3.991 ( -2.162 -2.626 0.138) 3.404 4.099 ( 1.160 0.754 -0.307) 1.417 4.115 ( 5.946 3.151 1.091) 6.817 4.139 ( -3.483 2.151 1.928) 4.525 4.324 ( -4.872 -1.662 -2.091) 5.556 4.381 ( -0.945 0.238 3.922) 4.041 4.475 ( 2.894 -0.114 -6.572) 7.183 4.532 ( 3.932 -1.277 6.956) 8.092 4.566 ( -0.722 -4.371 0.057) 4.431 4.582 ( -2.523 -0.548 2.499) 3.593 4.751 ( 2.685 -1.344 -0.476) 3.040 4.777 ( 1.434 2.166 -0.720) 2.695 4.798 ( 0.392 1.665 -1.512) 2.283 4.832 ( 2.864 1.484 -0.720) 3.305 4.846 ( -0.821 -0.302 0.730) 1.140 4.927 ( 0.512 -0.387 0.993) 1.182 5.084 ( -2.196 -0.864 -3.071) 3.873 5.137 ( 5.950 -0.507 -4.877) 7.710 5.207 ( 2.814 1.234 2.832) 4.179 5.284 ( 2.408 -2.199 0.156) 3.265 5.339 ( -4.635 -1.468 -1.529) 5.097 5.446 ( 0.768 -3.231 3.349) 4.716 5.484 ( -4.743 2.607 -0.333) 5.422 5.572 ( -3.350 1.426 0.967) 3.767 5.619 ( 6.549 -0.530 1.521) 6.744 5.668 ( -6.053 0.302 -2.009) 6.385 5.768 ( -0.376 -1.125 -0.788) 1.425 5.844 ( 0.929 -0.858 -0.216) 1.283 5.937 ( 0.330 -7.679 2.538) 8.094 5.969 ( -4.886 -4.612 3.078) 7.390 6.056 ( -0.754 -1.426 5.658) 5.884 6.170 ( 2.076 -0.971 1.748) 2.883 6.217 ( -1.579 -2.776 1.342) 3.464 6.231 ( 2.363 -2.952 -0.315) 3.795 6.391 ( 0.131 -7.416 -0.902) 7.472 6.444 ( -0.878 -2.774 -0.778) 3.012 6.518 ( 2.548 -2.183 -4.731) 5.800 6.610 ( -3.173 5.764 0.864) 6.636 6.713 ( 0.867 6.261 -2.496) 6.796 6.839 ( -0.876 6.437 -0.027) 6.496 6.923 ( 6.836 5.375 -3.310) 9.305 7.182 ( 0.336 2.879 -0.506) 2.943 7.219 ( -4.055 2.145 -0.694) 4.639 8.916 ( -0.417 -0.145 -0.569) 0.720 8.972 ( 0.452 0.700 -2.521) 2.655 9.074 ( -0.050 -0.892 1.575) 1.811 9.092 ( 0.283 0.133 0.949) 0.999 10.565 ( -1.110 1.313 0.373) 1.759 10.631 ( -1.648 0.663 -0.706) 1.911 10.683 ( -0.108 -0.210 2.457) 2.469 10.821 ( -2.143 0.513 -2.289) 3.177 10.951 ( -0.128 0.472 2.578) 2.624 11.115 ( 1.993 -0.009 1.439) 2.458 11.178 ( -1.499 -3.546 -0.339) 3.865 11.285 ( 1.106 0.179 -0.540) 1.244 11.456 ( 2.547 -0.440 1.486) 2.981 11.528 ( 3.870 1.504 -3.278) 5.290 11.867 ( 7.639 4.337 3.261) 9.370 12.044 ( -0.908 -4.524 0.347) 4.627 12.197 ( -0.568 2.191 -2.499) 3.372 12.240 ( -5.864 2.047 -0.526) 6.234 12.810 ( -4.531 2.064 5.007) 7.062 12.979 ( -0.839 -2.040 -2.834) 3.592 13.022 ( 1.084 -0.154 -4.796) 4.920 13.162 ( 0.960 -1.645 -4.629) 5.005 13.327 ( -5.963 -5.124 0.946) 7.919 13.369 ( 4.878 -1.240 -2.843) 5.781 13.436 ( -0.061 -4.825 3.884) 6.194 13.453 ( 6.555 0.184 6.973) 9.573 13.615 ( 3.233 -6.350 0.068) 7.126 13.900 ( -1.320 3.216 -1.676) 3.859 13.988 ( -7.034 3.877 3.379) 8.714 14.101 ( 4.384 8.799 -3.268) 10.360 ======================= Grid point 108 (52/88) ======================= q-point: ( 0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 4.269 -0.000 8.438) 9.457 1.355 ( 12.037 -0.000 17.721) 21.422 1.403 ( 5.697 -0.000 -17.681) 18.576 1.438 ( 4.362 -0.000 -13.780) 14.454 1.940 ( -2.771 0.000 2.320) 3.614 1.941 ( 2.960 -0.000 -7.995) 8.526 2.068 ( 1.036 -0.000 -6.793) 6.871 2.130 ( -0.237 0.000 6.915) 6.919 2.185 ( 6.318 -0.000 0.868) 6.377 2.334 ( 2.088 -0.000 -5.870) 6.230 2.399 ( 0.131 -0.000 5.732) 5.734 2.455 ( 0.718 -0.000 15.418) 15.435 2.468 ( -4.735 0.000 -6.832) 8.312 2.577 ( 2.571 -0.000 0.073) 2.572 2.642 ( -11.074 0.000 2.971) 11.466 2.746 ( 8.351 -0.000 8.489) 11.908 2.783 ( -5.086 0.000 2.651) 5.736 2.821 ( -2.360 0.000 -5.158) 5.672 2.936 ( 4.282 -0.000 -3.194) 5.343 3.041 ( 3.533 -0.000 -3.674) 5.097 3.055 ( -5.296 0.000 -8.165) 9.732 3.179 ( -0.641 0.000 -3.761) 3.815 3.245 ( 4.230 -0.000 0.309) 4.242 3.288 ( 1.039 -0.000 2.151) 2.389 3.329 ( -2.757 0.000 -5.517) 6.167 3.387 ( -4.311 0.000 1.829) 4.683 3.467 ( 6.939 -0.000 1.771) 7.161 3.552 ( -0.607 0.000 7.130) 7.156 3.606 ( 0.031 -0.000 -2.507) 2.507 3.634 ( -4.333 0.000 0.604) 4.375 3.670 ( 0.207 -0.000 -0.358) 0.413 3.704 ( 5.759 -0.000 0.348) 5.769 3.764 ( -3.756 0.000 -1.881) 4.201 3.930 ( 2.057 -0.000 6.865) 7.166 3.949 ( -7.921 0.000 -0.555) 7.940 4.080 ( -3.721 0.000 1.817) 4.141 4.123 ( 3.165 -0.000 -2.952) 4.328 4.142 ( 1.656 -0.000 -5.097) 5.359 4.191 ( 5.463 -0.000 1.040) 5.561 4.359 ( 2.759 -0.000 2.913) 4.012 4.401 ( 3.089 -0.000 -1.154) 3.297 4.420 ( -0.755 0.000 0.686) 1.020 4.520 ( -6.853 0.000 5.429) 8.743 4.587 ( -1.790 0.000 0.619) 1.894 4.684 ( -4.204 0.000 -4.409) 6.092 4.688 ( -1.892 0.000 0.466) 1.949 4.744 ( -1.023 0.000 0.276) 1.060 4.814 ( -0.591 0.000 -5.526) 5.557 4.881 ( 3.682 -0.000 -2.637) 4.529 4.962 ( 4.256 -0.000 0.888) 4.348 4.984 ( 0.424 -0.000 -0.626) 0.756 5.000 ( 3.352 -0.000 0.630) 3.411 5.084 ( -2.538 0.000 -2.987) 3.920 5.166 ( -0.908 0.000 -0.220) 0.934 5.218 ( -1.695 0.000 0.645) 1.814 5.390 ( 0.355 -0.000 1.830) 1.864 5.480 ( -6.139 0.000 5.422) 8.190 5.499 ( 2.658 -0.000 3.204) 4.163 5.573 ( 2.391 -0.000 -2.324) 3.335 5.647 ( -1.960 0.000 -5.836) 6.156 5.675 ( 5.484 -0.000 4.641) 7.185 5.710 ( 0.545 -0.000 -0.220) 0.588 5.875 ( -3.329 0.000 -2.896) 4.412 5.971 ( 4.616 -0.000 4.063) 6.149 6.138 ( -2.916 0.000 3.291) 4.397 6.154 ( -6.337 0.000 -1.924) 6.622 6.194 ( -5.270 0.000 -1.232) 5.412 6.240 ( 2.497 -0.000 -2.802) 3.753 6.306 ( 1.962 -0.000 3.987) 4.443 6.349 ( 2.970 -0.000 0.133) 2.973 6.430 ( -3.678 0.000 -3.367) 4.986 6.524 ( 3.906 -0.000 2.585) 4.684 6.569 ( 3.328 -0.000 2.996) 4.478 6.624 ( 3.378 -0.000 -4.368) 5.522 6.754 ( -3.115 0.000 1.613) 3.507 6.807 ( -2.199 0.000 -2.729) 3.505 7.157 ( -1.327 0.000 -0.965) 1.641 7.222 ( 4.218 -0.000 0.784) 4.290 8.901 ( -0.780 0.000 0.849) 1.153 8.932 ( 0.320 -0.000 -1.278) 1.318 9.099 ( -0.405 0.000 0.361) 0.542 9.103 ( -0.298 0.000 0.105) 0.316 10.596 ( 2.649 -0.000 1.904) 3.262 10.604 ( 1.837 -0.000 -1.273) 2.235 10.742 ( 0.170 -0.000 -1.252) 1.263 10.753 ( 1.272 -0.000 2.802) 3.077 11.056 ( 0.473 -0.000 5.173) 5.195 11.085 ( -1.308 0.000 -4.943) 5.113 11.196 ( -0.970 0.000 -2.786) 2.950 11.202 ( 0.857 -0.000 2.117) 2.284 11.490 ( -3.052 0.000 -1.804) 3.545 11.503 ( -0.877 0.000 -1.272) 1.545 11.903 ( -6.465 0.000 -3.073) 7.159 12.021 ( -6.252 0.000 1.166) 6.360 12.216 ( 10.362 -0.000 1.021) 10.413 12.224 ( 4.409 -0.000 0.251) 4.416 12.798 ( -2.715 0.000 5.054) 5.737 12.971 ( 4.707 -0.000 -2.796) 5.475 13.015 ( -2.683 0.000 2.941) 3.981 13.071 ( -1.050 0.000 -4.058) 4.192 13.164 ( -10.618 0.000 5.286) 11.861 13.279 ( -5.403 0.000 -1.867) 5.716 13.549 ( 3.354 -0.000 0.128) 3.356 13.575 ( -4.052 0.000 -3.099) 5.101 13.784 ( -1.003 0.000 1.568) 1.861 13.819 ( -0.639 0.000 3.211) 3.274 13.911 ( 1.598 -0.000 -0.218) 1.613 14.188 ( 10.086 -0.000 -5.274) 11.382 ======================= Grid point 109 (53/88) ======================= q-point: ( 0.29 0.14 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 2.792 -4.442 -13.333) 14.328 1.439 ( 5.445 -4.254 -3.075) 7.563 1.479 ( 10.410 -6.200 -5.143) 13.163 1.672 ( 9.098 -8.721 8.242) 15.058 1.845 ( 1.917 3.933 -7.612) 8.780 1.946 ( -1.203 0.804 5.670) 5.852 2.024 ( 3.981 -0.080 -3.685) 5.425 2.172 ( -2.500 2.359 7.612) 8.352 2.233 ( 2.898 -0.927 -4.289) 5.259 2.292 ( 0.527 -0.776 -1.729) 1.967 2.425 ( -0.764 -0.075 -1.387) 1.585 2.439 ( 6.896 1.573 0.541) 7.094 2.529 ( -2.312 2.337 1.631) 3.670 2.568 ( -3.921 -2.263 6.557) 7.968 2.646 ( -7.670 -3.920 2.598) 8.997 2.673 ( -4.523 3.508 -2.018) 6.070 2.792 ( -0.837 -0.695 1.373) 1.752 2.870 ( 1.283 3.540 -8.809) 9.580 2.942 ( -1.188 -3.308 7.134) 7.953 2.969 ( 4.368 -1.600 -3.329) 5.721 3.095 ( -4.530 4.583 -1.381) 6.590 3.096 ( 5.257 -1.547 1.885) 5.795 3.250 ( 3.614 0.657 -0.453) 3.701 3.319 ( 3.355 -2.296 -2.601) 4.826 3.358 ( -2.101 -2.987 2.441) 4.392 3.406 ( -0.004 1.418 3.247) 3.543 3.518 ( 1.439 -4.696 -3.122) 5.819 3.570 ( -3.548 1.646 2.138) 4.457 3.607 ( 1.577 0.293 -0.803) 1.794 3.647 ( 2.304 -0.380 1.801) 2.949 3.702 ( 3.030 -7.051 2.249) 7.997 3.738 ( -3.535 -4.159 2.033) 5.825 3.791 ( 2.156 -2.151 -1.010) 3.209 3.838 ( -6.049 4.421 -0.834) 7.539 3.982 ( 3.740 5.133 1.898) 6.628 4.018 ( -2.549 4.216 2.286) 5.431 4.069 ( -1.013 0.722 -2.305) 2.619 4.147 ( 4.033 -0.249 -1.761) 4.407 4.222 ( -5.467 3.758 1.050) 6.716 4.335 ( -1.490 3.644 -1.240) 4.127 4.362 ( -0.077 2.114 1.587) 2.644 4.463 ( 3.113 -2.186 -1.770) 4.196 4.537 ( 1.743 0.825 4.466) 4.865 4.560 ( -0.592 2.521 1.177) 2.845 4.603 ( -4.674 -1.538 -3.696) 6.154 4.709 ( 0.257 -2.753 -2.475) 3.711 4.723 ( -2.947 0.737 0.757) 3.131 4.778 ( -3.751 -1.936 -3.171) 5.280 4.875 ( 2.829 0.341 -3.611) 4.600 4.914 ( 2.361 4.903 -0.781) 5.497 4.995 ( 3.128 -0.233 -4.135) 5.190 5.043 ( -0.596 0.838 -0.155) 1.040 5.097 ( 2.874 -2.848 0.365) 4.062 5.172 ( -3.351 -2.608 0.983) 4.359 5.249 ( -0.629 -3.723 -0.333) 3.790 5.374 ( -4.378 2.363 1.966) 5.349 5.464 ( -3.179 1.526 1.706) 3.917 5.519 ( -1.399 1.763 2.266) 3.194 5.538 ( 0.490 2.417 -2.526) 3.530 5.622 ( 5.028 0.046 -0.900) 5.108 5.711 ( -1.046 -0.393 0.914) 1.444 5.756 ( 6.263 0.872 2.834) 6.930 5.835 ( -1.856 -1.419 -1.758) 2.923 5.982 ( 1.809 6.612 0.431) 6.868 6.041 ( -0.151 4.065 -0.902) 4.166 6.110 ( -3.106 4.239 2.245) 5.714 6.121 ( -3.806 4.216 2.049) 6.038 6.176 ( 0.291 4.269 -2.608) 5.011 6.332 ( 1.126 0.844 0.925) 1.684 6.375 ( 0.531 2.311 -0.468) 2.417 6.397 ( 0.229 0.245 0.215) 0.398 6.472 ( 2.656 7.054 -1.221) 7.636 6.635 ( -2.159 -5.366 1.489) 5.972 6.706 ( 2.122 -7.624 -2.240) 8.225 6.801 ( -0.561 -5.907 1.450) 6.108 6.855 ( -1.430 -8.351 -1.443) 8.595 7.145 ( -1.822 -1.035 0.067) 2.097 7.285 ( 5.325 -1.533 1.331) 5.699 8.906 ( -0.768 -0.289 1.283) 1.523 8.931 ( 0.285 -0.564 -0.522) 0.819 9.093 ( -0.429 0.467 0.247) 0.681 9.098 ( -0.322 0.245 -0.593) 0.718 10.611 ( 2.209 0.053 -0.652) 2.304 10.642 ( 3.135 -0.425 1.478) 3.492 10.734 ( 0.389 0.107 -1.664) 1.712 10.792 ( 1.490 -0.648 3.160) 3.553 11.031 ( -0.811 1.114 -3.925) 4.159 11.080 ( -0.401 1.453 2.835) 3.210 11.177 ( -0.693 -0.151 -1.392) 1.562 11.249 ( 0.575 -2.540 1.723) 3.122 11.427 ( -5.643 -0.703 -3.230) 6.540 11.489 ( -0.577 0.109 -0.633) 0.863 11.854 ( -2.573 -1.329 -1.576) 3.297 11.994 ( -5.658 -1.717 0.685) 5.952 12.189 ( 4.878 5.923 1.532) 7.825 12.357 ( 7.132 -3.939 -0.751) 8.182 12.833 ( -2.186 -1.388 5.400) 5.989 12.965 ( -0.405 3.985 2.239) 4.589 12.985 ( -1.650 1.666 -2.947) 3.766 13.030 ( -0.724 -1.331 0.788) 1.707 13.171 ( -5.447 -3.444 3.618) 7.391 13.254 ( -5.774 -2.963 0.536) 6.512 13.458 ( -9.532 2.159 -4.429) 10.730 13.558 ( 2.417 3.810 -1.783) 4.852 13.663 ( 3.641 7.792 -0.894) 8.647 13.907 ( 2.744 0.496 1.040) 2.976 13.996 ( 0.573 -9.934 1.915) 10.133 14.225 ( 6.972 0.052 -3.928) 8.002 ======================= Grid point 110 (54/88) ======================= q-point: ( 0.43 0.14 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -0.885 -7.750 -10.717) 13.255 1.529 ( 3.237 -2.137 0.377) 3.897 1.648 ( 10.725 -8.845 -2.638) 14.150 1.737 ( 3.125 7.394 -0.247) 8.031 1.762 ( 2.949 0.345 -6.114) 6.796 1.988 ( -6.696 5.292 4.539) 9.667 2.088 ( 8.423 0.644 -4.879) 9.755 2.197 ( 2.698 -6.541 1.311) 7.196 2.241 ( -0.060 -2.801 4.368) 5.189 2.326 ( -0.198 -1.495 -2.329) 2.775 2.387 ( 6.228 1.885 2.806) 7.087 2.488 ( 0.096 -0.011 2.657) 2.658 2.518 ( 4.304 1.625 -1.159) 4.745 2.564 ( -5.031 1.447 -1.522) 5.452 2.611 ( -2.685 -5.680 -1.087) 6.376 2.687 ( -4.518 -3.946 3.850) 7.128 2.819 ( -0.810 -1.223 -0.743) 1.644 2.833 ( 2.176 -2.696 0.646) 3.524 2.953 ( -3.543 -2.918 0.283) 4.598 2.959 ( -1.771 3.827 -2.148) 4.732 3.075 ( -0.623 -2.958 -0.330) 3.040 3.180 ( 4.313 0.113 5.983) 7.376 3.254 ( 1.525 3.127 -1.450) 3.769 3.353 ( 2.155 2.305 -0.445) 3.187 3.363 ( -0.200 1.527 -1.536) 2.175 3.393 ( 0.859 -1.397 2.052) 2.627 3.550 ( -2.478 0.443 0.317) 2.537 3.561 ( -0.006 -1.510 -0.231) 1.528 3.595 ( 1.770 -0.508 -3.086) 3.594 3.698 ( -1.031 0.885 0.056) 1.360 3.722 ( -2.301 -0.207 1.626) 2.825 3.797 ( -0.691 1.478 0.567) 1.728 3.822 ( -4.916 0.519 4.388) 6.610 3.874 ( 4.504 -3.577 -2.792) 6.394 3.911 ( -0.484 -2.646 -0.386) 2.718 3.973 ( -0.620 0.061 1.959) 2.055 4.019 ( -4.603 4.315 -2.620) 6.831 4.066 ( -1.314 2.153 0.158) 2.527 4.179 ( 2.930 0.763 -0.761) 3.122 4.309 ( 0.396 0.032 2.623) 2.653 4.359 ( 0.120 0.801 1.946) 2.107 4.443 ( -0.196 3.734 -1.044) 3.882 4.535 ( 1.752 1.305 -2.159) 3.072 4.581 ( 1.888 2.619 3.327) 4.636 4.609 ( 0.591 -3.892 2.711) 4.780 4.684 ( -3.775 -1.426 -1.843) 4.436 4.753 ( -2.809 -2.384 -1.529) 3.989 4.769 ( 1.689 -1.836 -2.727) 3.696 4.825 ( -1.510 1.254 -1.849) 2.697 4.899 ( 3.652 1.145 -0.241) 3.835 4.960 ( 0.849 3.131 -3.457) 4.740 5.034 ( 1.977 1.618 -0.314) 2.574 5.119 ( -0.839 -0.207 -2.025) 2.201 5.186 ( -1.048 -0.719 -0.575) 1.395 5.233 ( -3.745 0.437 -7.007) 7.957 5.311 ( -4.054 1.291 0.750) 4.320 5.430 ( -3.419 0.396 4.782) 5.892 5.500 ( 3.249 2.212 -0.725) 3.996 5.522 ( 0.670 0.427 2.521) 2.643 5.662 ( 4.237 0.253 -0.685) 4.299 5.726 ( -2.027 -1.451 2.427) 3.479 5.770 ( 2.186 2.570 0.565) 3.420 5.847 ( -0.141 2.769 0.736) 2.868 5.906 ( 2.779 -0.015 -1.689) 3.252 6.004 ( 2.472 4.211 2.272) 5.386 6.035 ( -1.633 3.183 1.644) 3.937 6.051 ( -1.631 4.676 0.545) 4.982 6.118 ( -1.361 1.689 -0.316) 2.192 6.269 ( -0.573 8.031 -1.228) 8.144 6.301 ( -0.811 3.243 -1.913) 3.851 6.390 ( 0.896 1.359 2.130) 2.681 6.440 ( 2.018 -0.467 -3.243) 3.848 6.698 ( -3.164 -5.171 0.855) 6.122 6.822 ( 1.687 -6.930 -1.776) 7.350 6.891 ( 0.032 -4.051 1.096) 4.197 6.952 ( -0.601 -6.604 -1.802) 6.872 7.169 ( -1.663 -3.207 1.851) 4.059 7.352 ( 3.592 -0.603 0.977) 3.771 8.912 ( -0.508 -0.203 0.768) 0.943 8.948 ( 0.123 -1.189 0.935) 1.518 9.082 ( -0.316 0.617 -1.238) 1.419 9.086 ( -0.179 0.382 0.187) 0.462 10.626 ( 1.848 -0.225 -0.158) 1.868 10.672 ( 1.792 0.845 1.207) 2.320 10.719 ( 0.210 0.131 -2.243) 2.256 10.839 ( 0.660 -1.277 2.379) 2.780 10.987 ( -0.181 1.024 -2.131) 2.371 11.055 ( -1.506 1.778 0.156) 2.335 11.165 ( 0.197 0.559 -0.156) 0.612 11.259 ( -1.452 0.047 -1.439) 2.045 11.427 ( -1.529 -3.290 0.639) 3.684 11.482 ( -0.266 0.129 0.190) 0.351 11.862 ( -1.407 -2.135 -0.315) 2.577 11.989 ( -3.076 -2.507 -0.960) 4.082 12.161 ( 1.541 3.305 3.586) 5.115 12.428 ( 5.373 -0.106 -2.603) 5.971 12.854 ( -2.469 0.507 2.466) 3.526 12.921 ( -1.672 -0.441 1.546) 2.319 12.984 ( -0.811 -0.551 3.101) 3.252 13.056 ( -0.240 -1.606 1.122) 1.974 13.187 ( -2.894 2.277 3.800) 5.292 13.253 ( -5.599 -1.135 0.069) 5.713 13.331 ( -5.507 -2.473 -4.126) 7.312 13.485 ( 4.029 5.885 -1.973) 7.400 13.613 ( 3.700 2.214 -4.041) 5.909 13.930 ( -0.280 -0.785 1.981) 2.149 14.147 ( 0.832 -7.071 1.214) 7.223 14.234 ( 4.603 1.852 -2.646) 5.623 ======================= Grid point 111 (55/88) ======================= q-point: (-0.43 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -2.176 -7.180 -4.194) 8.595 1.549 ( 0.792 0.913 -1.668) 2.059 1.642 ( 2.700 8.210 3.925) 9.492 1.749 ( -6.522 6.762 1.545) 9.521 1.771 ( 1.953 2.504 -2.389) 3.974 1.892 ( 6.722 -5.751 -1.097) 8.914 2.029 ( 2.559 1.957 -7.645) 8.296 2.254 ( 1.621 -1.289 -2.579) 3.308 2.320 ( 4.526 0.132 -4.892) 6.666 2.400 ( 0.548 0.246 -2.707) 2.773 2.424 ( 5.742 -3.241 3.856) 7.639 2.481 ( 2.371 -0.268 3.587) 4.309 2.523 ( -1.584 2.558 1.598) 3.407 2.582 ( 4.119 -0.668 -0.012) 4.172 2.680 ( -8.130 -2.637 5.857) 10.361 2.695 ( -0.440 -1.890 -0.941) 2.157 2.829 ( -6.224 -1.430 -0.092) 6.386 2.883 ( -0.770 -2.582 -3.567) 4.470 2.948 ( 3.450 -1.185 0.352) 3.665 3.006 ( -0.972 -2.906 3.368) 4.553 3.044 ( -3.981 3.305 -0.214) 5.179 3.184 ( 1.204 3.345 0.058) 3.556 3.208 ( 1.281 2.928 1.350) 3.469 3.304 ( 1.025 2.801 0.769) 3.080 3.328 ( -1.753 1.501 -0.289) 2.325 3.430 ( 0.816 -1.498 0.454) 1.765 3.491 ( -1.406 2.812 -0.943) 3.282 3.581 ( -1.365 -0.678 -0.096) 1.527 3.593 ( -0.353 0.080 -0.079) 0.370 3.676 ( -1.666 -0.179 0.217) 1.689 3.736 ( -2.043 -0.978 4.073) 4.661 3.753 ( 0.209 -0.914 0.644) 1.138 3.796 ( 1.212 -0.933 1.849) 2.400 3.891 ( -0.685 -1.194 -2.115) 2.523 3.902 ( -1.427 1.489 -1.552) 2.581 3.985 ( 0.517 -0.103 -3.249) 3.291 4.052 ( 2.997 -4.049 1.767) 5.338 4.115 ( 2.016 -1.061 -1.596) 2.781 4.190 ( -0.537 -4.865 0.516) 4.921 4.332 ( 3.367 3.839 -1.375) 5.288 4.343 ( -2.177 -1.193 0.708) 2.581 4.412 ( -0.951 -0.792 2.313) 2.623 4.512 ( -3.893 3.850 -3.809) 6.670 4.530 ( 0.564 0.874 1.072) 1.493 4.661 ( -3.835 2.176 -0.664) 4.459 4.674 ( -2.264 -4.786 -2.946) 6.059 4.746 ( 3.388 2.839 -0.688) 4.473 4.769 ( 1.394 -0.812 2.443) 2.927 4.850 ( 1.936 -0.945 -0.670) 2.256 4.889 ( 0.881 2.032 -1.396) 2.618 4.916 ( 1.373 -1.303 1.826) 2.629 5.022 ( 0.899 0.319 -2.163) 2.364 5.080 ( -0.144 0.541 -3.200) 3.248 5.172 ( -0.761 -1.291 -1.442) 2.080 5.185 ( 3.124 1.124 0.248) 3.329 5.289 ( -1.658 0.742 2.170) 2.830 5.431 ( -5.458 -0.908 4.778) 7.311 5.510 ( 8.177 2.721 -1.822) 8.808 5.549 ( 1.030 -1.181 0.260) 1.589 5.668 ( 1.536 0.976 -1.047) 2.100 5.732 ( -1.947 1.452 1.368) 2.787 5.747 ( -1.061 1.007 1.090) 1.824 5.817 ( -1.390 0.223 0.948) 1.697 5.902 ( -0.673 3.751 0.257) 3.819 5.972 ( -0.219 3.953 0.724) 4.024 6.002 ( -1.532 1.276 -0.666) 2.102 6.024 ( 0.840 -3.493 0.796) 3.680 6.088 ( -0.753 0.507 -1.373) 1.646 6.166 ( 0.185 3.879 0.076) 3.884 6.233 ( -1.933 1.515 -0.970) 2.641 6.403 ( 1.361 0.546 1.905) 2.404 6.445 ( 2.613 -1.446 -4.158) 5.119 6.748 ( -1.476 -2.467 1.846) 3.416 6.891 ( 1.568 -1.939 -1.314) 2.819 6.936 ( -0.061 -1.447 0.755) 1.633 7.003 ( 0.143 -2.753 -2.512) 3.730 7.229 ( -1.285 -3.470 2.280) 4.346 7.364 ( 0.775 1.632 -0.460) 1.864 8.915 ( -0.287 -0.025 0.424) 0.513 8.977 ( 0.070 -1.277 1.311) 1.831 9.058 ( -0.388 0.701 -1.383) 1.599 9.084 ( 0.198 0.062 0.143) 0.252 10.642 ( 0.819 0.160 0.220) 0.863 10.664 ( 0.407 1.373 0.081) 1.434 10.700 ( -0.722 0.682 -0.986) 1.400 10.865 ( -1.018 -0.732 0.249) 1.279 10.965 ( 0.260 0.609 -0.632) 0.916 11.028 ( -0.925 -0.101 -0.170) 0.945 11.170 ( 2.760 0.761 1.215) 3.111 11.244 ( -0.190 0.445 0.801) 0.936 11.457 ( -0.694 -0.928 0.727) 1.368 11.486 ( 0.340 -0.746 0.043) 0.821 11.874 ( -1.768 -1.818 -0.576) 2.601 11.990 ( -0.487 -0.897 -2.168) 2.396 12.184 ( -2.442 -1.973 4.792) 5.729 12.410 ( 3.797 3.591 -4.347) 6.798 12.863 ( 0.486 -1.383 1.565) 2.144 12.936 ( -1.750 -0.908 1.837) 2.695 13.021 ( -1.120 -1.826 2.865) 3.577 13.051 ( -3.348 3.689 0.559) 5.013 13.138 ( -0.877 0.030 4.101) 4.194 13.268 ( -0.837 -3.562 0.219) 3.665 13.344 ( -1.379 -2.390 -1.095) 2.969 13.434 ( 3.693 3.094 -1.154) 4.954 13.584 ( 4.474 1.284 -4.934) 6.783 13.947 ( -3.620 -1.288 1.557) 4.146 14.196 ( 0.392 1.945 -2.752) 3.393 14.237 ( 2.158 -1.488 0.184) 2.628 ======================= Grid point 112 (56/88) ======================= q-point: (-0.29 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( -6.869 4.966 2.347) 8.795 1.488 ( 4.825 3.746 9.618) 11.394 1.557 ( -0.113 7.398 3.883) 8.356 1.610 ( -1.311 0.562 -0.469) 1.501 1.791 ( 5.462 2.928 -1.793) 6.451 1.895 ( 1.780 -2.639 -9.334) 9.862 2.069 ( -1.678 -5.428 -6.536) 8.661 2.243 ( 2.112 7.483 5.208) 9.358 2.273 ( 1.269 4.557 -2.112) 5.181 2.397 ( -3.038 4.411 -6.012) 8.051 2.419 ( 2.180 -1.278 0.193) 2.535 2.504 ( 2.068 -0.878 1.076) 2.491 2.519 ( 1.891 10.525 2.578) 11.000 2.558 ( 0.115 7.630 -0.087) 7.631 2.629 ( -2.551 -4.858 1.301) 5.639 2.697 ( -4.636 0.902 -3.915) 6.135 2.801 ( -0.240 -6.050 -3.633) 7.061 2.861 ( -3.287 -4.905 2.304) 6.338 2.940 ( 1.689 3.355 -1.528) 4.056 3.008 ( 0.791 -0.776 0.826) 1.382 3.067 ( -1.753 -0.317 2.517) 3.084 3.164 ( -3.364 -1.380 -3.683) 5.175 3.238 ( 0.511 1.266 1.191) 1.811 3.314 ( 0.091 -1.195 4.819) 4.966 3.351 ( 5.745 -0.832 3.076) 6.570 3.413 ( -4.122 0.248 -2.665) 4.915 3.470 ( 2.561 -0.491 1.093) 2.827 3.582 ( -1.435 -0.235 2.294) 2.716 3.644 ( -0.562 -3.896 1.564) 4.236 3.678 ( -0.309 -1.462 1.622) 2.205 3.741 ( -1.334 2.230 -1.393) 2.949 3.764 ( -0.861 0.175 3.848) 3.947 3.814 ( -1.597 -0.092 -0.901) 1.836 3.858 ( 0.023 1.813 -0.614) 1.915 3.899 ( -0.851 2.452 0.723) 2.694 4.010 ( 1.346 -5.281 1.346) 5.614 4.093 ( -0.739 -0.188 -1.498) 1.681 4.145 ( 0.115 1.392 -8.311) 8.428 4.208 ( 5.258 -1.201 2.879) 6.114 4.295 ( 2.129 1.576 -0.320) 2.668 4.353 ( -3.025 -0.926 -1.600) 3.545 4.414 ( -0.074 -1.901 -2.350) 3.024 4.472 ( 1.964 -0.871 -0.619) 2.236 4.513 ( -4.606 -3.975 -0.314) 6.093 4.612 ( -3.358 2.036 2.303) 4.553 4.659 ( -2.494 -2.779 -5.702) 6.816 4.731 ( -0.044 -0.097 0.936) 0.942 4.833 ( 3.962 0.448 0.777) 4.062 4.846 ( 2.717 -0.551 -2.068) 3.459 4.896 ( -1.418 -1.372 1.523) 2.493 4.926 ( -0.328 3.057 -0.592) 3.131 5.029 ( 2.730 -1.221 -3.661) 4.727 5.094 ( 4.201 -2.724 0.681) 5.053 5.209 ( 1.409 -2.123 1.497) 2.955 5.249 ( 5.550 -1.106 6.206) 8.398 5.284 ( -0.178 2.010 4.340) 4.786 5.431 ( -0.839 0.730 -0.288) 1.148 5.531 ( 1.034 -1.398 -1.813) 2.512 5.565 ( 2.837 0.558 1.276) 3.160 5.641 ( -0.455 2.078 -2.212) 3.069 5.682 ( -3.099 1.789 0.203) 3.584 5.740 ( -2.233 -0.719 -0.398) 2.379 5.813 ( -1.984 -0.135 1.900) 2.751 5.842 ( -1.855 1.997 1.004) 2.904 5.929 ( -1.818 1.712 1.106) 2.731 5.970 ( -3.053 -2.275 -1.440) 4.070 6.075 ( 0.579 -0.971 -1.286) 1.712 6.116 ( 0.196 -7.343 -0.614) 7.372 6.160 ( 1.582 -0.644 1.265) 2.125 6.225 ( -0.241 -0.423 2.541) 2.587 6.409 ( -0.506 -0.327 -2.088) 2.173 6.462 ( 3.197 -1.415 -3.300) 4.808 6.765 ( -0.701 1.785 2.888) 3.467 6.884 ( 1.264 3.037 -1.021) 3.445 6.944 ( -1.501 0.620 0.654) 1.751 7.009 ( 2.892 0.172 -2.772) 4.009 7.259 ( -1.817 0.144 1.028) 2.092 7.319 ( 0.055 3.413 -1.405) 3.691 8.915 ( -0.263 0.139 0.289) 0.415 8.992 ( 0.273 0.163 -1.157) 1.200 9.046 ( -0.549 -0.579 0.763) 1.104 9.089 ( 0.411 -0.240 0.154) 0.500 10.620 ( -0.393 1.916 -0.323) 1.982 10.657 ( -0.628 0.691 -1.272) 1.578 10.682 ( -0.302 0.471 2.181) 2.252 10.847 ( -1.869 0.624 -1.523) 2.491 10.961 ( 0.292 0.245 0.771) 0.860 11.045 ( -0.241 -2.571 0.123) 2.585 11.192 ( 3.616 2.098 1.867) 4.578 11.267 ( 1.933 -0.524 3.196) 3.771 11.464 ( 0.225 0.031 0.754) 0.787 11.502 ( 0.091 -1.412 -1.413) 1.999 11.890 ( -1.655 -2.947 -0.566) 3.427 11.977 ( -0.165 -0.156 -2.017) 2.030 12.222 ( -5.437 -2.213 3.463) 6.816 12.337 ( 4.128 5.062 -4.761) 8.083 12.900 ( -1.378 0.159 2.006) 2.439 12.943 ( -0.634 1.521 1.781) 2.426 12.982 ( -1.580 -0.039 0.700) 1.728 13.059 ( 0.001 -2.808 -0.132) 2.811 13.196 ( -2.975 -3.434 4.538) 6.422 13.322 ( 2.519 -2.342 -3.030) 4.584 13.343 ( -0.118 -1.052 1.538) 1.867 13.460 ( 6.783 0.437 3.834) 7.804 13.571 ( 4.186 0.362 -5.072) 6.586 13.920 ( -6.483 -0.478 -1.483) 6.668 14.131 ( -1.368 4.500 0.194) 4.707 14.247 ( 1.821 1.005 -2.675) 3.388 ======================= Grid point 113 (57/88) ======================= q-point: (-0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -3.258 15.148 13.052) 20.259 1.411 ( 4.428 19.081 11.751) 22.842 1.582 ( 3.423 -0.012 -0.394) 3.445 1.704 ( 4.195 -7.372 -1.735) 8.657 1.824 ( 5.410 -3.571 -1.460) 6.644 1.875 ( 1.187 -0.461 -9.856) 9.938 1.978 ( -6.207 -0.373 -6.745) 9.174 2.096 ( 1.973 10.687 6.637) 12.734 2.203 ( -3.363 12.064 9.140) 15.504 2.292 ( -0.592 -0.146 -3.231) 3.288 2.427 ( 2.858 0.761 0.596) 3.017 2.457 ( -1.600 2.227 3.525) 4.466 2.495 ( 0.817 0.706 -5.836) 5.935 2.553 ( 1.103 -1.730 -0.654) 2.154 2.649 ( -3.572 -5.137 -3.121) 6.992 2.706 ( -1.034 -3.470 0.781) 3.704 2.844 ( -3.876 -0.330 -1.340) 4.114 2.905 ( 4.159 -1.312 -6.971) 8.222 2.944 ( 5.791 -2.636 -0.943) 6.432 3.032 ( 1.066 0.608 1.573) 1.995 3.057 ( -2.647 -0.904 1.080) 2.998 3.148 ( -5.804 -3.129 -1.034) 6.674 3.209 ( 0.040 0.128 -2.518) 2.521 3.295 ( -2.006 2.362 -3.394) 4.595 3.348 ( 2.202 2.071 7.708) 8.279 3.501 ( -0.086 -3.525 1.953) 4.031 3.513 ( 5.147 -0.196 -0.030) 5.151 3.563 ( -3.458 3.056 1.423) 4.830 3.615 ( -4.427 3.321 -1.517) 5.738 3.684 ( 0.858 2.810 -0.051) 2.939 3.693 ( 2.662 3.988 1.888) 5.153 3.777 ( 1.622 2.523 0.349) 3.020 3.816 ( -1.490 0.656 -1.859) 2.471 3.865 ( -1.009 -6.292 1.587) 6.567 3.923 ( -1.556 -6.004 3.715) 7.230 3.980 ( -1.361 3.735 -5.315) 6.637 4.091 ( 0.723 -0.914 0.481) 1.261 4.101 ( -3.773 -1.777 3.225) 5.272 4.229 ( -1.665 1.228 -0.830) 2.229 4.292 ( 3.810 3.075 -2.282) 5.402 4.375 ( 0.945 -2.712 1.079) 3.068 4.446 ( 0.873 0.183 -6.507) 6.568 4.478 ( -2.423 -3.528 -0.920) 4.378 4.524 ( -1.648 -2.196 0.685) 2.830 4.633 ( 2.213 -2.651 4.889) 5.985 4.711 ( -1.822 -5.445 1.411) 5.913 4.747 ( 0.828 -3.432 0.364) 3.549 4.832 ( 3.553 2.971 -1.279) 4.805 4.854 ( 1.834 1.557 -2.551) 3.506 4.874 ( 1.332 0.964 -2.675) 3.140 4.922 ( -3.127 -2.680 2.908) 5.042 5.038 ( 2.460 -0.462 -2.485) 3.527 5.170 ( 5.556 -0.472 -1.115) 5.686 5.226 ( -1.723 1.339 -0.839) 2.338 5.295 ( 0.268 1.811 3.721) 4.147 5.348 ( 4.493 0.702 6.186) 7.677 5.443 ( 1.233 -1.558 1.283) 2.365 5.486 ( -1.635 1.576 -2.715) 3.539 5.552 ( -6.492 1.242 0.920) 6.673 5.616 ( -0.801 -0.557 -0.953) 1.364 5.678 ( 5.388 0.179 -1.152) 5.512 5.711 ( -3.804 -1.720 -3.192) 5.255 5.840 ( -0.680 -1.378 2.026) 2.543 5.868 ( 1.702 -5.541 4.752) 7.496 5.912 ( -2.712 -0.958 1.211) 3.120 6.009 ( -3.515 -5.720 1.064) 6.798 6.129 ( 1.171 -5.624 0.846) 5.807 6.189 ( -0.549 -4.389 -1.349) 4.625 6.231 ( 3.873 -0.294 3.596) 5.293 6.277 ( 0.437 -5.339 1.714) 5.624 6.370 ( -4.487 -1.014 -4.338) 6.323 6.475 ( 2.697 -1.181 -5.466) 6.209 6.720 ( -0.698 6.761 3.160) 7.496 6.813 ( 1.409 6.558 -1.461) 6.865 6.898 ( -3.002 3.474 0.693) 4.643 7.002 ( 4.638 2.815 -3.759) 6.601 7.209 ( -3.637 3.272 0.924) 4.979 7.262 ( 1.995 3.677 -1.670) 4.504 8.912 ( -0.442 0.243 0.262) 0.568 8.969 ( 0.310 0.890 -2.290) 2.476 9.068 ( -0.421 -1.174 1.559) 1.996 9.098 ( 0.316 -0.292 0.196) 0.473 10.588 ( -0.220 1.838 0.387) 1.891 10.626 ( -0.549 0.941 -1.083) 1.535 10.700 ( 0.273 -0.014 2.615) 2.629 10.802 ( -1.537 1.204 -2.365) 3.067 10.976 ( 0.428 -0.109 2.608) 2.645 11.090 ( -0.429 -3.838 -1.181) 4.039 11.197 ( 2.627 2.933 2.898) 4.889 11.297 ( 0.619 0.999 -0.774) 1.407 11.478 ( 1.339 -0.349 1.066) 1.747 11.509 ( -0.046 -1.523 -1.761) 2.329 11.929 ( -0.833 -3.900 0.768) 4.062 11.974 ( 0.891 -1.125 -1.201) 1.871 12.196 ( -7.580 1.032 1.587) 7.813 12.274 ( 5.650 4.492 -3.120) 7.864 12.854 ( -3.889 3.794 3.419) 6.420 12.933 ( -2.556 -1.105 0.771) 2.890 13.005 ( 2.574 -0.529 -1.258) 2.913 13.096 ( -0.226 -2.915 -3.446) 4.519 13.229 ( -6.545 -2.006 3.580) 7.726 13.355 ( 4.644 -3.208 -2.249) 6.076 13.408 ( -1.046 -3.200 3.288) 4.706 13.550 ( 3.642 1.702 -2.670) 4.826 13.598 ( 9.486 -3.698 4.977) 11.333 13.842 ( -7.736 -0.984 -4.373) 8.941 14.049 ( -2.947 6.082 3.533) 7.626 14.207 ( 4.437 3.599 -4.339) 7.174 ======================= Grid point 116 (58/88) ======================= q-point: ( 0.29 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 13.043 -0.000 -11.342) 17.284 1.343 ( 14.649 -0.000 -14.241) 20.430 1.537 ( 6.678 -0.000 -2.421) 7.104 1.716 ( 4.684 -0.000 7.209) 8.597 1.805 ( 0.105 -0.000 -6.150) 6.151 1.975 ( -2.744 0.000 8.379) 8.817 2.079 ( 9.344 -0.000 -4.938) 10.569 2.129 ( -1.828 0.000 -6.556) 6.806 2.288 ( -1.775 0.000 12.070) 12.200 2.314 ( 2.154 -0.000 -0.167) 2.161 2.341 ( -3.454 0.000 -2.714) 4.393 2.503 ( -9.029 0.000 5.802) 10.733 2.534 ( -2.955 0.000 1.626) 3.373 2.546 ( -2.860 0.000 -2.098) 3.547 2.593 ( 1.849 -0.000 0.879) 2.048 2.704 ( -4.281 0.000 1.657) 4.591 2.771 ( -6.208 0.000 9.333) 11.209 2.850 ( 8.566 -0.000 -12.506) 15.159 2.924 ( -2.557 0.000 1.994) 3.243 2.992 ( 4.597 -0.000 -1.960) 4.997 3.094 ( 3.438 -0.000 0.295) 3.451 3.134 ( 0.167 -0.000 -0.848) 0.864 3.284 ( 2.010 -0.000 -1.631) 2.589 3.299 ( 3.406 -0.000 0.635) 3.464 3.349 ( -1.505 0.000 7.968) 8.109 3.448 ( 5.423 -0.000 0.924) 5.501 3.524 ( -3.058 0.000 -0.573) 3.111 3.549 ( -2.231 0.000 0.850) 2.388 3.625 ( -1.375 0.000 -1.501) 2.035 3.636 ( 0.497 -0.000 0.538) 0.732 3.683 ( -1.712 0.000 2.488) 3.020 3.698 ( 4.452 -0.000 3.905) 5.922 3.766 ( -5.159 0.000 -1.968) 5.522 3.837 ( 0.509 -0.000 -0.839) 0.982 4.045 ( -0.781 0.000 -0.907) 1.197 4.055 ( -1.294 0.000 -0.330) 1.335 4.090 ( -1.141 0.000 -2.539) 2.783 4.145 ( 5.792 -0.000 -1.646) 6.022 4.223 ( -1.988 0.000 1.600) 2.552 4.364 ( -4.661 0.000 -2.736) 5.405 4.368 ( -1.147 0.000 -1.727) 2.073 4.400 ( 1.002 -0.000 3.659) 3.793 4.540 ( -3.547 0.000 -1.001) 3.685 4.553 ( -2.429 0.000 -4.909) 5.477 4.596 ( 3.225 -0.000 1.947) 3.768 4.657 ( -2.075 0.000 -2.544) 3.283 4.721 ( 0.117 -0.000 0.397) 0.414 4.740 ( -0.600 0.000 1.565) 1.676 4.857 ( 1.797 -0.000 -3.873) 4.270 4.927 ( 0.504 -0.000 -6.487) 6.506 5.002 ( 1.493 -0.000 -0.175) 1.503 5.055 ( 1.158 -0.000 -0.600) 1.304 5.097 ( 1.531 -0.000 2.891) 3.272 5.171 ( 0.154 -0.000 2.245) 2.250 5.220 ( 1.637 -0.000 -0.922) 1.879 5.379 ( -7.026 0.000 3.607) 7.897 5.438 ( -4.358 0.000 -1.533) 4.620 5.512 ( -3.261 0.000 0.399) 3.286 5.566 ( 3.128 -0.000 -0.550) 3.176 5.648 ( 3.389 -0.000 0.020) 3.389 5.708 ( -0.660 0.000 1.028) 1.222 5.804 ( 0.161 -0.000 0.424) 0.453 5.849 ( 7.007 -0.000 2.581) 7.467 6.022 ( -2.232 0.000 -2.502) 3.353 6.089 ( 2.388 -0.000 2.041) 3.142 6.126 ( -4.142 0.000 1.930) 4.569 6.182 ( 0.554 -0.000 -6.086) 6.111 6.194 ( 0.209 -0.000 4.234) 4.239 6.346 ( -2.862 0.000 -0.078) 2.863 6.356 ( 4.224 -0.000 -2.682) 5.004 6.405 ( -1.352 0.000 3.985) 4.208 6.545 ( -5.269 0.000 -0.323) 5.279 6.610 ( 2.748 -0.000 -4.152) 4.979 6.648 ( 1.829 -0.000 0.998) 2.083 6.740 ( -1.561 0.000 -1.686) 2.298 6.753 ( 0.099 -0.000 1.639) 1.642 7.121 ( -1.828 0.000 0.363) 1.864 7.337 ( 5.635 -0.000 1.929) 5.956 8.911 ( -0.717 0.000 2.087) 2.207 8.926 ( 0.365 -0.000 -0.110) 0.381 9.091 ( -0.461 0.000 -0.883) 0.996 9.093 ( -0.419 0.000 -0.277) 0.502 10.626 ( 2.796 -0.000 -0.917) 2.942 10.678 ( 3.273 -0.000 1.023) 3.429 10.727 ( 0.457 -0.000 -1.999) 2.050 10.814 ( -0.056 0.000 2.160) 2.161 11.005 ( -0.254 0.000 -3.460) 3.470 11.103 ( 0.103 -0.000 0.558) 0.568 11.205 ( 1.711 -0.000 4.244) 4.576 11.241 ( 0.046 -0.000 2.143) 2.143 11.314 ( -7.933 0.000 -5.993) 9.942 11.485 ( 0.335 -0.000 -0.197) 0.389 11.812 ( -0.582 0.000 -2.288) 2.361 11.945 ( -5.156 0.000 1.039) 5.259 12.302 ( 3.510 -0.000 0.798) 3.600 12.354 ( 6.803 -0.000 -1.523) 6.971 12.857 ( -1.605 0.000 6.884) 7.068 12.968 ( -0.021 0.000 -5.948) 5.948 13.009 ( -4.700 0.000 5.113) 6.945 13.051 ( 5.085 -0.000 1.543) 5.314 13.086 ( -8.615 0.000 4.081) 9.533 13.202 ( -5.286 0.000 2.724) 5.946 13.373 ( -7.757 0.000 -3.076) 8.344 13.589 ( 2.510 -0.000 -1.826) 3.104 13.804 ( -1.636 0.000 -2.549) 3.029 13.857 ( 1.768 -0.000 -2.229) 2.846 13.936 ( 3.867 -0.000 1.577) 4.176 14.259 ( 6.378 -0.000 -2.473) 6.841 ======================= Grid point 117 (59/88) ======================= q-point: ( 0.43 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 9.146 3.239 -9.567) 13.626 1.483 ( 7.184 -6.357 -8.825) 13.035 1.574 ( 10.790 -6.893 -8.867) 15.574 1.734 ( -1.026 4.334 0.475) 4.480 1.869 ( 0.513 -2.809 3.668) 4.648 2.013 ( 6.053 1.888 -2.943) 6.990 2.034 ( 0.317 -4.728 -1.208) 4.890 2.197 ( 4.981 -4.665 -2.936) 7.430 2.244 ( -0.351 5.482 2.657) 6.102 2.290 ( -6.029 0.549 4.697) 7.662 2.409 ( 1.627 -3.470 1.099) 3.987 2.474 ( -5.107 -1.800 -0.633) 5.452 2.525 ( -5.464 -3.408 0.753) 6.484 2.546 ( 3.836 -0.248 6.057) 7.174 2.625 ( -2.333 0.839 4.803) 5.405 2.670 ( -0.464 1.641 3.376) 3.783 2.811 ( -1.297 -1.001 0.913) 1.875 2.827 ( 3.320 0.751 -4.168) 5.381 2.932 ( -0.684 4.312 5.187) 6.780 2.967 ( 0.178 -3.579 -3.021) 4.687 3.063 ( 0.187 6.218 1.438) 6.384 3.207 ( 3.114 -4.951 0.360) 5.860 3.302 ( 1.291 2.683 -0.252) 2.988 3.341 ( 3.372 -4.162 -2.725) 6.010 3.391 ( -0.864 -0.346 4.579) 4.672 3.463 ( -0.877 5.659 2.097) 6.099 3.487 ( 0.231 -1.909 -2.382) 3.061 3.527 ( -1.071 -0.771 0.829) 1.558 3.609 ( -1.153 1.451 -2.374) 3.012 3.661 ( -4.305 -4.160 -1.561) 6.187 3.715 ( 1.400 -1.869 2.989) 3.793 3.724 ( -1.936 -3.542 -0.220) 4.043 3.827 ( 1.663 -2.679 -1.097) 3.338 3.835 ( 3.820 -3.842 1.845) 5.724 3.920 ( -3.733 6.395 -3.603) 8.234 3.966 ( -8.985 5.510 -3.817) 11.210 4.065 ( 0.335 -0.184 -0.325) 0.502 4.151 ( 1.652 7.631 1.529) 7.956 4.194 ( 2.090 1.234 -2.536) 3.510 4.315 ( -1.972 -0.679 -0.102) 2.088 4.358 ( -3.066 -2.366 0.257) 3.882 4.447 ( -3.734 0.832 -3.841) 5.421 4.496 ( -1.259 0.916 -1.603) 2.235 4.532 ( 2.721 -2.470 -2.270) 4.319 4.631 ( 2.085 -2.406 4.416) 5.444 4.672 ( 0.109 0.581 -2.747) 2.810 4.721 ( -0.136 -1.136 1.428) 1.830 4.742 ( 0.927 -0.815 0.214) 1.253 4.839 ( 1.903 1.306 -0.335) 2.332 4.920 ( 2.598 -1.113 -1.829) 3.366 4.999 ( 0.935 1.950 -0.316) 2.186 5.050 ( 1.107 0.863 -0.938) 1.689 5.110 ( -1.408 1.153 -4.759) 5.095 5.160 ( -1.739 -0.123 2.440) 2.999 5.239 ( 4.786 1.429 0.495) 5.019 5.315 ( -6.474 2.389 2.713) 7.415 5.430 ( -0.919 -2.672 -0.190) 2.832 5.487 ( -2.734 2.026 3.639) 4.981 5.585 ( 2.975 0.194 0.633) 3.048 5.685 ( 3.296 -0.765 -0.819) 3.481 5.716 ( -0.268 -0.467 1.329) 1.434 5.814 ( 0.767 0.798 1.642) 1.980 5.902 ( 2.400 0.246 0.529) 2.470 5.934 ( -0.919 5.764 -2.853) 6.497 6.077 ( -1.168 3.212 0.779) 3.505 6.109 ( -1.090 2.878 2.576) 4.013 6.122 ( 0.744 1.694 -4.475) 4.842 6.148 ( 1.348 8.023 3.294) 8.777 6.288 ( -4.653 3.666 0.368) 5.935 6.380 ( 4.335 -0.502 -3.827) 5.804 6.431 ( -0.660 3.938 0.217) 3.998 6.453 ( -0.550 4.574 -0.735) 4.665 6.595 ( -2.472 -5.486 0.721) 6.061 6.707 ( 1.898 -6.794 -1.543) 7.220 6.812 ( -1.217 -7.589 -0.211) 7.689 6.827 ( -0.118 -6.890 -0.427) 6.904 7.131 ( -1.006 -2.042 1.629) 2.799 7.382 ( 2.144 0.120 0.553) 2.217 8.919 ( -0.272 0.316 1.575) 1.630 8.941 ( 0.126 -0.998 1.408) 1.731 9.075 ( -0.455 0.393 -1.442) 1.562 9.086 ( -0.221 0.051 -0.445) 0.499 10.642 ( 2.440 0.059 -0.321) 2.462 10.702 ( 1.533 -0.072 -0.580) 1.641 10.706 ( 0.406 0.846 -2.259) 2.446 10.824 ( -1.984 -1.149 0.466) 2.340 10.979 ( 0.283 0.312 -2.349) 2.386 11.070 ( -2.146 2.672 -1.864) 3.901 11.190 ( 0.123 1.031 1.382) 1.728 11.264 ( 1.374 0.631 1.608) 2.207 11.346 ( -0.559 -6.543 2.665) 7.087 11.490 ( 0.797 0.277 0.661) 1.071 11.807 ( -0.351 -2.001 -2.161) 2.966 11.920 ( -4.286 -1.268 -0.119) 4.471 12.270 ( 2.337 5.516 1.106) 6.092 12.424 ( 4.120 -2.542 -2.887) 5.637 12.880 ( -1.368 2.136 2.777) 3.761 12.929 ( -0.099 0.037 2.206) 2.208 13.007 ( -4.359 1.491 4.139) 6.193 13.036 ( -2.851 -1.293 3.333) 4.572 13.163 ( 1.603 -3.850 2.315) 4.770 13.212 ( -3.556 -4.251 1.749) 5.812 13.281 ( -3.534 4.236 -0.141) 5.518 13.569 ( 1.779 2.869 -3.065) 4.559 13.659 ( 1.083 6.611 -4.178) 7.896 13.898 ( -1.210 -3.176 -4.077) 5.308 14.044 ( 0.781 -6.732 2.816) 7.339 14.283 ( 5.346 1.104 -1.855) 5.765 ======================= Grid point 118 (60/88) ======================= q-point: ( 0.57 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 0.744 -2.977 -6.848) 7.504 1.511 ( -0.495 -3.423 -8.454) 9.134 1.613 ( -8.839 -0.477 -4.343) 9.860 1.718 ( 11.117 -4.943 -10.381) 15.993 1.884 ( 4.381 2.330 3.671) 6.172 1.962 ( 4.598 7.883 4.202) 10.047 2.120 ( -1.443 5.031 1.017) 5.332 2.252 ( 2.290 2.207 4.168) 5.243 2.274 ( 6.753 -9.362 -3.393) 12.032 2.357 ( 0.220 -7.361 -2.221) 7.692 2.374 ( -0.058 0.103 -3.889) 3.891 2.515 ( -2.186 -0.694 5.903) 6.333 2.576 ( -3.710 -0.975 5.492) 6.699 2.615 ( 2.168 -2.229 1.374) 3.399 2.661 ( -1.142 1.910 2.310) 3.208 2.701 ( 1.802 -0.483 8.133) 8.344 2.765 ( -2.346 2.360 -0.274) 3.339 2.820 ( 5.166 -3.444 -7.238) 9.536 2.907 ( -3.056 0.828 -0.053) 3.166 2.990 ( 1.868 -3.153 0.859) 3.764 3.063 ( -5.124 0.487 8.661) 10.075 3.235 ( 1.613 3.507 -5.075) 6.376 3.250 ( 1.187 -0.616 -4.027) 4.243 3.373 ( 1.070 1.260 1.440) 2.192 3.392 ( -0.446 5.905 2.947) 6.615 3.426 ( -0.767 -2.120 1.233) 2.570 3.484 ( -0.143 1.648 -2.212) 2.762 3.540 ( -3.338 -2.043 -0.043) 3.914 3.604 ( 4.458 -1.623 -1.054) 4.860 3.661 ( -3.704 -0.989 0.208) 3.839 3.727 ( -1.017 -0.428 2.308) 2.558 3.758 ( -1.672 5.037 -3.029) 6.111 3.786 ( -1.139 -1.611 0.690) 2.090 3.831 ( -3.187 -0.290 -1.791) 3.667 3.888 ( -1.015 -5.836 -0.803) 5.978 3.927 ( 0.520 -0.533 0.500) 0.897 4.047 ( -1.487 -0.494 -1.673) 2.293 4.124 ( 2.935 -2.140 2.571) 4.450 4.174 ( 4.064 3.599 -1.250) 5.570 4.313 ( -2.296 -1.475 -1.066) 2.930 4.352 ( -2.559 2.246 -2.674) 4.330 4.387 ( -5.450 -2.035 0.818) 5.874 4.435 ( -2.015 -1.133 -6.255) 6.669 4.532 ( -2.455 0.004 -2.725) 3.667 4.586 ( -0.262 3.841 -2.072) 4.372 4.704 ( 2.348 2.487 -1.727) 3.832 4.774 ( 1.248 -2.549 3.863) 4.794 4.803 ( 5.631 -2.586 -1.319) 6.335 4.857 ( 0.318 1.456 -3.921) 4.195 4.882 ( -2.044 2.302 0.435) 3.109 4.998 ( 3.742 0.247 4.607) 5.941 5.029 ( 1.773 1.953 -2.003) 3.312 5.051 ( -0.278 -0.448 -2.043) 2.110 5.198 ( 1.960 1.016 5.975) 6.370 5.250 ( 5.267 2.085 1.350) 5.823 5.300 ( -2.471 -1.799 3.748) 4.836 5.431 ( -4.493 -0.788 -0.691) 4.614 5.495 ( 1.570 1.514 5.521) 5.936 5.619 ( 4.693 0.233 -0.437) 4.719 5.683 ( 1.435 1.096 -3.586) 4.015 5.740 ( -0.472 -0.551 1.764) 1.907 5.798 ( -0.788 3.838 2.102) 4.446 5.842 ( 0.443 3.116 -1.581) 3.522 5.904 ( -1.838 -0.600 -1.028) 2.190 5.991 ( -6.393 2.532 -3.455) 7.696 6.020 ( -0.849 6.516 -1.997) 6.867 6.068 ( 2.012 4.363 0.297) 4.813 6.093 ( -0.302 3.391 2.242) 4.076 6.223 ( -0.446 3.172 1.890) 3.719 6.296 ( -1.468 6.542 0.572) 6.729 6.382 ( 2.971 -0.952 -6.284) 7.015 6.446 ( 1.149 0.412 -0.016) 1.220 6.692 ( -0.613 -6.166 2.652) 6.740 6.831 ( 2.299 -6.754 -1.019) 7.207 6.888 ( -2.537 -4.969 -0.375) 5.592 6.920 ( 0.996 -5.772 -1.187) 5.976 7.188 ( -0.042 -3.546 2.685) 4.448 7.374 ( -1.220 0.609 -1.462) 2.000 8.924 ( -0.080 0.414 1.322) 1.387 8.972 ( 0.047 -1.111 1.785) 2.104 9.051 ( -0.509 0.568 -1.641) 1.810 9.083 ( 0.140 -0.170 -0.553) 0.595 10.654 ( 0.588 0.234 -0.302) 0.701 10.679 ( 0.586 0.869 -1.993) 2.252 10.700 ( -0.143 0.566 0.281) 0.648 10.827 ( -2.172 -1.818 -1.140) 3.053 10.966 ( 0.559 0.030 -1.197) 1.321 11.011 ( -1.573 0.434 -2.035) 2.608 11.218 ( 2.831 -0.309 2.869) 4.042 11.288 ( 2.467 1.268 3.126) 4.179 11.429 ( -0.547 -2.708 1.739) 3.264 11.495 ( 0.719 0.709 0.910) 1.359 11.820 ( -1.468 -2.158 -1.597) 3.060 11.912 ( -2.865 -2.983 -2.582) 4.876 12.222 ( -0.575 3.554 3.178) 4.802 12.433 ( 2.379 0.839 -4.647) 5.287 12.874 ( 1.040 0.134 2.418) 2.636 12.948 ( -1.518 1.013 4.039) 4.432 13.000 ( -4.083 -2.041 2.903) 5.410 13.060 ( -1.892 0.072 2.335) 3.006 13.178 ( -1.255 2.563 -0.497) 2.897 13.254 ( 3.536 -1.122 3.407) 5.037 13.288 ( -0.460 -3.549 2.111) 4.155 13.508 ( 2.355 3.325 -0.423) 4.096 13.588 ( 2.526 1.162 -5.490) 6.154 13.889 ( -3.547 -1.978 -3.477) 5.346 14.137 ( -2.249 -4.239 1.071) 4.916 14.284 ( 4.337 2.221 -1.809) 5.198 ======================= Grid point 119 (61/88) ======================= q-point: (-0.29 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( -1.281 -8.858 -2.837) 9.389 1.467 ( -4.170 -4.857 -5.123) 8.199 1.571 ( -5.792 -5.770 -5.451) 9.826 1.782 ( 11.260 -1.403 -7.509) 13.606 1.854 ( 3.903 11.235 7.769) 14.206 1.987 ( -2.045 8.192 2.680) 8.859 2.002 ( 4.354 2.716 1.167) 5.263 2.281 ( 1.920 -0.965 0.704) 2.261 2.328 ( 1.132 1.636 1.778) 2.668 2.388 ( 5.277 -2.733 -5.676) 8.218 2.410 ( -6.398 0.050 -5.553) 8.472 2.507 ( -2.323 1.030 -0.263) 2.555 2.551 ( -5.846 3.063 2.280) 6.983 2.605 ( 4.989 -0.689 1.853) 5.367 2.635 ( 0.934 6.765 -2.120) 7.151 2.719 ( 2.019 -1.581 -3.417) 4.272 2.782 ( -0.492 -4.119 5.063) 6.545 2.882 ( -3.901 -0.701 0.177) 3.967 2.946 ( 1.376 -1.917 5.643) 6.116 2.994 ( -2.701 4.215 3.432) 6.070 3.091 ( 1.227 0.808 1.046) 1.803 3.136 ( 2.792 3.352 -5.904) 7.341 3.277 ( 1.280 -1.326 -1.380) 2.302 3.296 ( -0.637 3.677 3.191) 4.910 3.368 ( -2.230 0.497 4.731) 5.254 3.459 ( 0.352 1.407 0.058) 1.452 3.469 ( -0.017 -2.893 0.943) 3.043 3.554 ( -2.024 -3.949 0.948) 4.538 3.622 ( 1.648 0.889 2.077) 2.796 3.672 ( -1.190 -1.478 2.319) 2.997 3.719 ( -3.396 -2.287 -1.420) 4.334 3.747 ( -0.904 1.199 -1.928) 2.444 3.792 ( -3.909 -0.750 1.150) 4.143 3.857 ( 2.920 -4.054 -1.739) 5.289 3.918 ( -0.009 1.060 2.257) 2.494 3.961 ( 0.619 -2.665 1.202) 2.988 4.057 ( -1.210 -4.084 -4.098) 5.911 4.114 ( -0.112 2.603 -2.817) 3.837 4.227 ( 5.031 -2.805 1.012) 5.848 4.278 ( -4.312 0.206 -2.025) 4.768 4.316 ( -1.324 -2.635 -1.937) 3.528 4.361 ( -2.393 -1.422 -2.977) 4.075 4.434 ( 0.049 -0.451 -0.451) 0.640 4.472 ( 0.016 0.055 -1.216) 1.217 4.555 ( 1.060 -1.232 -3.130) 3.527 4.610 ( -2.361 3.466 -4.278) 5.991 4.779 ( -1.708 2.403 -0.801) 3.055 4.843 ( -1.631 -2.177 3.420) 4.370 4.862 ( 5.427 0.401 -1.498) 5.645 4.888 ( 3.690 0.139 -0.588) 3.739 4.965 ( 0.826 3.297 -4.133) 5.351 5.032 ( 1.792 -0.387 -2.189) 2.855 5.108 ( 1.959 -0.511 7.094) 7.377 5.250 ( 3.704 -0.002 3.679) 5.221 5.315 ( 5.545 -1.576 3.025) 6.510 5.348 ( -0.355 -0.887 4.988) 5.079 5.416 ( -3.686 -1.341 2.627) 4.721 5.516 ( 0.883 2.216 3.768) 4.460 5.605 ( 2.984 2.657 -5.029) 6.423 5.657 ( 1.462 1.407 -2.979) 3.605 5.713 ( -3.791 3.977 -1.864) 5.802 5.739 ( 0.208 2.965 1.545) 3.349 5.804 ( -3.539 0.210 0.298) 3.558 5.868 ( -2.015 1.175 0.213) 2.342 5.885 ( -4.756 0.142 -2.848) 5.545 5.944 ( -2.004 0.989 -0.696) 2.341 6.041 ( 0.549 1.340 1.527) 2.105 6.082 ( 1.600 -0.086 -0.331) 1.636 6.193 ( 1.999 1.288 0.964) 2.565 6.265 ( -0.230 1.087 5.093) 5.213 6.356 ( -0.340 -0.461 -6.686) 6.711 6.450 ( 2.045 -0.345 -2.808) 3.491 6.784 ( 0.097 -2.609 3.548) 4.405 6.895 ( 0.586 -1.638 -1.983) 2.638 6.920 ( -2.400 -2.087 0.926) 3.312 6.992 ( 3.187 -3.135 -2.018) 4.905 7.252 ( -0.334 -1.444 2.357) 2.784 7.335 ( -1.244 0.897 -2.029) 2.543 8.925 ( -0.230 0.614 1.226) 1.390 8.989 ( 0.260 0.142 -0.800) 0.853 9.037 ( -0.633 -0.550 0.588) 1.024 9.085 ( 0.388 -0.460 -0.599) 0.849 10.637 ( -0.415 1.112 -0.524) 1.298 10.655 ( -0.411 0.851 -1.462) 1.741 10.706 ( 0.179 0.248 2.589) 2.607 10.819 ( -1.413 -0.625 -2.128) 2.630 10.969 ( 0.636 -0.306 0.074) 0.710 11.000 ( -0.854 -1.785 -1.249) 2.340 11.276 ( 4.786 0.607 2.686) 5.522 11.305 ( 0.662 1.008 2.608) 2.873 11.457 ( -0.354 -0.848 0.944) 1.317 11.494 ( 0.091 0.503 -0.035) 0.512 11.830 ( -1.475 -2.410 -0.207) 2.833 11.915 ( -1.478 -3.154 -3.776) 5.137 12.204 ( -3.615 1.134 4.398) 5.805 12.385 ( 2.496 2.525 -4.845) 6.007 12.901 ( -1.951 0.623 3.919) 4.422 12.968 ( 0.014 -2.146 1.825) 2.817 13.015 ( -0.985 3.628 0.887) 3.863 13.023 ( -0.772 -1.000 0.430) 1.335 13.171 ( -2.703 -0.783 3.185) 4.250 13.298 ( 3.356 -0.429 -3.884) 5.151 13.342 ( 1.162 -1.630 4.021) 4.492 13.531 ( 3.559 -0.972 -1.758) 4.087 13.579 ( 5.440 -0.112 1.582) 5.666 13.835 ( -6.440 -0.406 -4.804) 8.045 14.154 ( -2.647 -0.106 1.031) 2.843 14.265 ( 3.023 2.017 -2.357) 4.332 ======================= Grid point 120 (62/88) ======================= q-point: (-0.14 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( -0.163 -5.621 2.221) 6.046 1.536 ( 2.985 -7.621 -5.351) 9.779 1.628 ( 2.283 -7.836 -0.233) 8.166 1.756 ( -2.812 6.724 7.079) 10.160 1.826 ( 7.366 4.533 -7.404) 11.385 1.851 ( -2.163 10.134 8.543) 13.430 1.949 ( 2.116 3.575 -3.510) 5.439 2.196 ( 0.186 6.506 -12.832) 14.388 2.281 ( 0.206 4.767 0.869) 4.850 2.338 ( -0.034 2.044 -0.460) 2.095 2.449 ( -1.103 -2.884 5.083) 5.947 2.465 ( -5.493 -0.167 -2.745) 6.143 2.516 ( -0.728 1.706 -0.775) 2.010 2.545 ( 1.105 -0.188 -1.016) 1.513 2.663 ( 3.173 -0.762 0.327) 3.279 2.773 ( 1.589 1.279 2.160) 2.971 2.789 ( 6.980 4.651 8.027) 11.609 2.901 ( -2.390 -0.149 -4.540) 5.133 2.939 ( 3.766 -0.391 5.319) 6.529 3.012 ( -2.582 -2.132 -1.083) 3.519 3.045 ( -1.816 4.828 0.052) 5.159 3.113 ( 3.992 0.246 -2.950) 4.970 3.220 ( -0.881 2.901 2.799) 4.126 3.260 ( -4.372 0.785 -4.230) 6.134 3.448 ( 0.439 -4.435 2.276) 5.005 3.456 ( -0.258 1.547 4.055) 4.347 3.526 ( 0.683 -3.062 -1.006) 3.295 3.580 ( -5.090 2.017 3.756) 6.640 3.615 ( -1.034 2.722 -2.486) 3.829 3.711 ( 0.667 -4.188 1.449) 4.482 3.727 ( -3.587 -5.515 -0.573) 6.603 3.752 ( 1.619 -0.232 0.100) 1.639 3.786 ( -2.431 -0.920 0.936) 2.763 3.867 ( 2.861 1.334 -1.074) 3.334 3.906 ( 0.478 1.796 4.953) 5.290 3.969 ( -2.670 3.799 -1.686) 4.940 4.053 ( 0.249 -3.834 -0.709) 3.907 4.103 ( 1.395 -0.453 -1.214) 1.904 4.202 ( -6.289 0.848 -1.051) 6.432 4.289 ( -2.384 -1.348 1.669) 3.208 4.347 ( 1.412 -3.789 -3.727) 5.500 4.391 ( 0.971 -2.230 -5.969) 6.446 4.432 ( 0.873 -0.255 1.169) 1.481 4.503 ( 1.148 0.877 -1.787) 2.298 4.574 ( 2.919 -6.331 2.467) 7.395 4.631 ( 3.230 -7.044 -0.613) 7.773 4.741 ( -1.909 -0.152 1.159) 2.238 4.851 ( -2.425 0.886 0.124) 2.585 4.875 ( 1.625 2.852 -4.307) 5.415 4.896 ( 1.256 -0.440 1.605) 2.085 4.902 ( 4.291 1.525 -2.448) 5.170 5.043 ( 1.573 -1.152 -1.881) 2.710 5.165 ( -0.325 0.223 2.825) 2.852 5.284 ( 3.897 2.065 -0.240) 4.417 5.360 ( -0.068 -0.709 1.729) 1.870 5.423 ( -1.995 -0.214 6.450) 6.754 5.438 ( 1.101 -2.894 -2.675) 4.092 5.479 ( -1.597 5.516 2.539) 6.279 5.552 ( -0.923 4.689 -1.932) 5.155 5.609 ( 2.197 -1.727 1.352) 3.104 5.618 ( -6.093 0.177 -6.018) 8.566 5.710 ( 3.516 0.781 -2.171) 4.205 5.825 ( -1.528 -1.749 3.219) 3.969 5.858 ( -1.023 -2.518 5.356) 6.006 5.904 ( -0.759 -3.984 -0.427) 4.078 5.907 ( -1.114 1.074 -0.360) 1.589 6.059 ( -1.861 -2.798 0.923) 3.485 6.118 ( 2.188 -3.676 -0.931) 4.378 6.241 ( 0.767 -2.374 1.235) 2.784 6.283 ( -3.651 0.200 -2.302) 4.321 6.309 ( 2.796 0.100 2.383) 3.675 6.442 ( 2.640 -0.384 -5.659) 6.257 6.809 ( -1.093 2.364 2.736) 3.778 6.876 ( 0.443 2.091 -1.770) 2.775 6.919 ( -1.903 1.411 1.665) 2.896 7.028 ( 3.845 -0.193 -3.202) 5.008 7.240 ( -2.684 2.904 1.579) 4.257 7.306 ( 1.368 1.767 -1.308) 2.590 8.920 ( -0.567 0.730 1.102) 1.439 8.968 ( 0.317 0.896 -2.017) 2.230 9.059 ( -0.446 -1.175 1.576) 2.016 9.092 ( 0.338 -0.609 -0.572) 0.901 10.614 ( -0.107 1.399 0.251) 1.426 10.632 ( 0.171 0.779 -0.753) 1.096 10.727 ( 0.195 0.065 3.139) 3.146 10.790 ( -0.379 0.864 -2.359) 2.541 10.990 ( 0.696 -0.956 1.666) 2.043 11.021 ( -0.818 -2.970 -1.555) 3.451 11.284 ( 0.480 2.456 1.084) 2.727 11.310 ( 0.789 1.660 -0.728) 1.977 11.472 ( -0.635 -0.927 0.446) 1.209 11.488 ( 0.095 -0.319 -0.397) 0.518 11.869 ( -1.342 -2.816 1.729) 3.567 11.936 ( 1.355 -3.686 -2.233) 4.518 12.176 ( -5.964 1.952 3.600) 7.235 12.346 ( 4.700 2.003 -3.287) 6.075 12.887 ( -4.010 1.421 3.379) 5.433 12.941 ( -2.560 3.074 2.006) 4.475 13.022 ( 2.451 0.060 0.089) 2.453 13.043 ( 0.912 -1.029 -2.202) 2.596 13.176 ( -5.279 -2.670 2.541) 6.438 13.328 ( 4.298 -2.803 -1.605) 5.376 13.386 ( -1.500 -0.470 1.799) 2.389 13.536 ( 3.631 -1.234 -5.589) 6.779 13.700 ( 7.633 -1.711 7.235) 10.656 13.726 ( -7.954 0.869 -5.884) 9.932 14.128 ( -1.554 2.856 2.533) 4.122 14.240 ( 3.096 1.758 -3.297) 4.853 ======================= Grid point 124 (63/88) ======================= q-point: ( 0.43 0.43 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( -5.223 0.000 -8.478) 9.957 1.389 ( 10.146 -0.000 -14.085) 17.359 1.552 ( 17.380 -0.000 -5.748) 18.306 1.766 ( -4.857 0.000 -0.849) 4.930 1.884 ( 4.675 -0.000 2.981) 5.545 1.972 ( -8.305 0.000 3.105) 8.866 2.057 ( 9.593 -0.000 -4.573) 10.627 2.170 ( 10.234 -0.000 -4.223) 11.072 2.275 ( -10.158 0.000 3.869) 10.870 2.358 ( 1.085 -0.000 -5.404) 5.512 2.372 ( -2.298 0.000 10.249) 10.503 2.412 ( 0.262 -0.000 -0.450) 0.521 2.478 ( -1.004 0.000 9.634) 9.686 2.618 ( 4.419 -0.000 -0.298) 4.429 2.667 ( 0.932 -0.000 4.395) 4.493 2.719 ( -1.494 0.000 2.492) 2.906 2.814 ( 0.589 -0.000 7.547) 7.570 2.839 ( 2.757 -0.000 -3.581) 4.519 2.849 ( -5.993 0.000 2.158) 6.370 3.117 ( 0.766 -0.000 3.539) 3.621 3.123 ( -3.041 0.000 -2.467) 3.916 3.149 ( 2.862 -0.000 0.681) 2.942 3.268 ( 3.220 -0.000 -4.082) 5.199 3.320 ( -1.078 0.000 -2.541) 2.760 3.416 ( -4.397 0.000 3.494) 5.616 3.442 ( -1.325 0.000 -2.520) 2.847 3.516 ( 0.224 -0.000 2.985) 2.993 3.538 ( 1.040 -0.000 -0.517) 1.161 3.598 ( -2.367 0.000 -1.172) 2.641 3.621 ( -0.571 0.000 0.283) 0.637 3.635 ( 2.283 -0.000 -1.122) 2.544 3.745 ( 0.495 -0.000 3.211) 3.249 3.795 ( -5.592 0.000 -3.231) 6.458 3.819 ( -0.476 0.000 -1.306) 1.390 3.883 ( -0.973 0.000 -2.335) 2.530 3.980 ( -0.385 0.000 -4.314) 4.332 4.004 ( -4.077 0.000 -0.412) 4.097 4.177 ( -4.293 0.000 -5.143) 6.699 4.259 ( -4.152 0.000 -2.924) 5.078 4.283 ( -1.501 0.000 -0.197) 1.514 4.307 ( 9.594 -0.000 3.561) 10.233 4.416 ( 0.730 -0.000 -4.267) 4.329 4.469 ( -0.474 0.000 -3.171) 3.206 4.595 ( -2.649 0.000 0.017) 2.649 4.609 ( 0.363 -0.000 -1.217) 1.270 4.674 ( 3.022 -0.000 4.099) 5.093 4.720 ( 2.671 -0.000 3.963) 4.779 4.745 ( 1.488 -0.000 -2.248) 2.696 4.886 ( 2.045 -0.000 3.115) 3.727 4.912 ( 1.874 -0.000 -4.077) 4.488 5.017 ( 0.801 -0.000 0.309) 0.858 5.039 ( -2.169 0.000 -5.063) 5.508 5.065 ( 0.781 -0.000 -0.628) 1.002 5.209 ( -0.672 0.000 7.292) 7.323 5.279 ( 3.381 -0.000 0.940) 3.509 5.307 ( -6.632 0.000 4.025) 7.758 5.397 ( 0.928 -0.000 -1.076) 1.421 5.561 ( 3.313 -0.000 7.278) 7.996 5.595 ( 1.499 -0.000 -0.561) 1.600 5.680 ( 1.876 -0.000 -3.888) 4.317 5.719 ( 1.341 -0.000 -1.276) 1.851 5.839 ( 0.589 -0.000 1.902) 1.991 5.903 ( -2.879 0.000 -2.274) 3.669 5.961 ( -0.716 0.000 -0.132) 0.728 6.043 ( -7.140 0.000 -3.830) 8.102 6.126 ( 4.632 -0.000 -4.835) 6.696 6.158 ( -1.509 0.000 6.147) 6.330 6.263 ( -1.500 0.000 3.764) 4.052 6.354 ( 2.288 -0.000 3.707) 4.356 6.379 ( 4.818 -0.000 -3.485) 5.946 6.419 ( -1.221 0.000 0.122) 1.227 6.449 ( -3.876 0.000 0.361) 3.893 6.591 ( 2.652 -0.000 -3.421) 4.329 6.653 ( -1.088 0.000 -0.981) 1.465 6.708 ( 0.437 -0.000 -1.279) 1.352 6.750 ( -1.743 0.000 -0.601) 1.844 7.127 ( 0.154 -0.000 2.670) 2.674 7.382 ( -1.723 0.000 -1.569) 2.331 8.940 ( -0.711 0.000 3.000) 3.083 8.943 ( 0.840 -0.000 1.055) 1.349 9.063 ( -0.325 0.000 -1.729) 1.759 9.079 ( -0.210 0.000 -0.926) 0.950 10.651 ( 0.739 -0.000 -1.183) 1.395 10.693 ( -0.017 0.000 -2.538) 2.538 10.710 ( 2.686 -0.000 -1.353) 3.007 10.792 ( -3.898 0.000 -0.143) 3.900 10.967 ( 0.540 -0.000 -2.109) 2.176 11.038 ( -3.676 0.000 -4.578) 5.871 11.212 ( 0.856 -0.000 2.226) 2.385 11.269 ( -0.842 0.000 1.977) 2.149 11.378 ( 6.051 -0.000 7.120) 9.344 11.510 ( 1.509 -0.000 1.213) 1.936 11.777 ( 0.392 -0.000 -2.193) 2.228 11.875 ( -3.763 0.000 -0.809) 3.849 12.345 ( 0.632 -0.000 0.082) 0.637 12.397 ( 3.092 -0.000 -2.979) 4.293 12.921 ( 3.232 -0.000 -2.512) 4.093 12.932 ( -4.131 0.000 5.795) 7.116 13.006 ( -4.324 0.000 2.679) 5.087 13.038 ( -5.422 0.000 8.972) 10.483 13.155 ( -1.105 0.000 1.224) 1.649 13.197 ( 4.678 -0.000 3.261) 5.702 13.309 ( -0.087 0.000 2.087) 2.089 13.562 ( 0.095 -0.000 -4.295) 4.296 13.706 ( -1.858 0.000 -5.606) 5.906 13.773 ( -0.632 0.000 -7.603) 7.629 14.042 ( 0.239 -0.000 5.740) 5.745 14.320 ( 5.267 -0.000 -2.242) 5.724 ======================= Grid point 125 (64/88) ======================= q-point: (-0.43 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -6.675 0.123 -5.618) 8.725 1.347 ( 2.939 -2.075 -12.545) 13.051 1.574 ( -14.342 7.180 -1.478) 16.107 1.707 ( 14.158 -0.273 -6.563) 15.607 1.904 ( 1.754 -6.141 0.868) 6.445 2.068 ( 0.174 -1.365 -3.548) 3.806 2.114 ( -0.013 -7.671 2.028) 7.935 2.204 ( 4.547 1.705 -0.690) 4.905 2.262 ( 4.000 -0.672 -1.139) 4.213 2.341 ( 5.252 -1.527 -4.779) 7.263 2.415 ( -1.017 4.235 10.773) 11.620 2.488 ( -0.257 -5.442 5.709) 7.891 2.543 ( 0.767 0.408 4.492) 4.576 2.670 ( 1.442 -3.877 -0.988) 4.253 2.681 ( -0.913 2.121 3.351) 4.070 2.716 ( -3.163 -1.063 -1.307) 3.584 2.784 ( 2.055 3.292 4.026) 5.592 2.849 ( 2.118 1.574 6.557) 7.068 2.928 ( 1.251 -0.520 -1.921) 2.350 3.017 ( -0.724 5.888 -0.728) 5.976 3.112 ( -4.622 -1.369 8.140) 9.461 3.131 ( -5.056 -1.840 -3.013) 6.167 3.248 ( 1.961 2.213 -5.851) 6.556 3.332 ( -1.633 -3.383 -3.061) 4.846 3.428 ( -0.661 1.126 1.422) 1.930 3.450 ( 0.704 -5.082 -4.491) 6.818 3.488 ( 0.710 3.784 1.455) 4.116 3.520 ( -0.157 2.364 -0.073) 2.370 3.573 ( -0.825 -0.841 1.609) 1.994 3.636 ( 0.083 -2.104 0.853) 2.272 3.700 ( 1.345 -1.705 -2.996) 3.700 3.739 ( -3.612 -2.686 -1.159) 4.648 3.777 ( -0.238 -0.259 2.805) 2.827 3.808 ( -1.549 0.362 0.248) 1.610 3.878 ( -0.059 -1.140 1.467) 1.859 3.934 ( 5.737 1.194 -3.444) 6.797 3.991 ( -3.913 -0.203 -1.090) 4.067 4.085 ( -3.623 -0.690 -4.925) 6.153 4.228 ( -2.858 -1.063 -0.824) 3.158 4.277 ( -0.037 0.130 -0.799) 0.810 4.370 ( 1.016 5.922 -1.259) 6.139 4.381 ( 4.239 1.367 0.875) 4.539 4.421 ( 1.198 1.916 -0.589) 2.335 4.515 ( -4.091 1.618 -3.447) 5.589 4.605 ( -0.505 1.196 0.205) 1.314 4.731 ( 3.122 0.459 -3.008) 4.359 4.742 ( 0.661 -2.265 -1.209) 2.651 4.787 ( 0.262 -0.283 -3.196) 3.220 4.857 ( 1.272 -0.307 0.239) 1.330 4.918 ( 1.080 0.632 1.724) 2.130 5.019 ( 0.932 0.911 -1.446) 1.947 5.044 ( 0.227 1.192 2.175) 2.491 5.082 ( 3.636 -2.127 3.648) 5.572 5.238 ( -2.540 -1.711 0.685) 3.138 5.289 ( -2.209 1.036 5.617) 6.124 5.350 ( 6.108 0.490 5.499) 8.233 5.395 ( -0.388 0.927 1.188) 1.556 5.598 ( 2.359 0.520 1.853) 3.045 5.638 ( 2.196 0.392 1.606) 2.749 5.666 ( 1.543 -0.272 -3.970) 4.268 5.718 ( 0.308 -1.641 -2.793) 3.254 5.812 ( -7.135 0.620 -6.254) 9.508 5.845 ( 0.031 1.333 0.891) 1.604 5.938 ( -0.132 4.641 2.315) 5.188 5.953 ( -6.469 1.645 0.698) 6.712 6.088 ( 2.695 4.324 -6.213) 8.035 6.141 ( -3.177 4.887 4.116) 7.135 6.221 ( 1.023 7.082 3.342) 7.897 6.297 ( 1.210 4.702 3.453) 5.958 6.352 ( 0.313 4.587 -4.832) 6.670 6.403 ( 1.320 4.027 -2.365) 4.853 6.456 ( 0.431 0.726 -0.538) 1.001 6.607 ( 0.235 -6.357 2.501) 6.835 6.722 ( 2.040 -8.821 -2.428) 9.374 6.767 ( -1.628 -6.744 0.193) 6.941 6.816 ( 0.100 -8.077 -1.260) 8.175 7.176 ( 1.625 -2.010 3.934) 4.707 7.337 ( -3.817 -0.168 -3.235) 5.006 8.946 ( -0.060 0.812 2.148) 2.297 8.973 ( 0.206 -0.896 2.022) 2.221 9.043 ( -0.248 0.512 -1.761) 1.851 9.072 ( 0.036 -0.403 -1.245) 1.309 10.644 ( -0.607 -0.385 -1.105) 1.318 10.669 ( -0.593 0.032 -2.344) 2.418 10.721 ( 0.943 1.004 0.500) 1.466 10.771 ( -1.580 -1.872 -1.322) 2.783 10.959 ( 0.593 -0.192 -1.341) 1.479 10.983 ( -1.742 0.095 -2.667) 3.187 11.251 ( 2.371 -0.909 2.896) 3.852 11.292 ( -1.983 -2.291 0.852) 3.147 11.464 ( 3.945 1.180 5.001) 6.478 11.525 ( 1.056 1.029 1.095) 1.837 11.780 ( 1.075 -1.124 -0.989) 1.843 11.843 ( -2.649 -0.943 -2.383) 3.686 12.299 ( -0.783 4.326 1.396) 4.613 12.410 ( 1.139 -0.957 -3.864) 4.140 12.910 ( -2.582 0.013 2.453) 3.561 12.942 ( -1.150 -0.122 0.158) 1.167 13.001 ( -0.725 1.402 5.061) 5.301 13.077 ( -2.239 -0.350 6.898) 7.261 13.171 ( -1.533 -1.183 0.161) 1.943 13.271 ( 4.213 -1.143 1.380) 4.578 13.330 ( 3.182 1.002 4.211) 5.373 13.522 ( -0.175 0.167 -4.444) 4.451 13.604 ( 1.145 2.912 -3.270) 4.526 13.765 ( -2.675 -4.675 -7.991) 9.637 14.096 ( -2.540 -1.784 5.639) 6.437 14.330 ( 4.887 1.497 -3.353) 6.113 ======================= Grid point 126 (65/88) ======================= q-point: (-0.29 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -4.722 -6.993 1.018) 8.499 1.293 ( -6.425 -2.211 -8.610) 10.968 1.391 ( -8.534 -3.995 -1.171) 9.496 1.790 ( 14.056 -0.805 -8.249) 16.317 1.970 ( -2.472 -0.722 0.880) 2.722 2.067 ( -0.871 -0.723 -1.278) 1.707 2.150 ( 3.128 6.356 1.719) 7.289 2.264 ( 1.732 -3.535 2.629) 4.734 2.305 ( 6.286 -3.532 -3.968) 8.230 2.338 ( 2.657 0.482 -8.222) 8.654 2.420 ( -2.380 0.649 7.354) 7.757 2.551 ( -3.341 5.357 -4.908) 7.997 2.565 ( -4.165 1.471 4.679) 6.435 2.618 ( -2.190 -1.591 5.155) 5.823 2.659 ( -0.501 -0.889 -2.508) 2.707 2.727 ( 2.193 0.348 0.083) 2.222 2.801 ( -1.425 5.056 -0.228) 5.258 2.857 ( 1.648 2.875 7.783) 8.459 2.934 ( 4.871 -2.130 -0.052) 5.317 3.038 ( -1.031 -4.457 0.176) 4.578 3.098 ( -3.152 0.208 3.969) 5.073 3.152 ( -3.818 0.342 4.858) 6.188 3.221 ( 2.118 -1.730 -7.326) 7.819 3.373 ( -1.153 -2.228 2.402) 3.473 3.388 ( -0.935 1.471 -2.131) 2.753 3.430 ( -0.744 -3.550 -0.498) 3.662 3.453 ( -2.098 2.623 0.251) 3.368 3.505 ( 1.376 0.737 0.560) 1.658 3.616 ( -0.173 -1.323 -0.464) 1.413 3.648 ( -2.241 1.553 -0.650) 2.803 3.712 ( 0.555 -0.815 0.013) 0.986 3.743 ( -1.466 -0.682 -1.416) 2.149 3.786 ( 0.322 2.047 2.126) 2.969 3.828 ( 5.996 -4.316 1.017) 7.457 3.943 ( -0.784 -1.194 -0.409) 1.486 3.959 ( 1.547 -3.075 -0.673) 3.508 3.974 ( 2.190 -0.405 4.512) 5.031 4.072 ( -1.144 -3.019 -3.085) 4.465 4.204 ( -6.373 0.486 -1.427) 6.549 4.237 ( -0.953 0.191 -2.275) 2.474 4.309 ( 4.940 1.146 1.011) 5.171 4.357 ( -0.624 3.875 -1.986) 4.398 4.436 ( 2.404 -0.436 -0.692) 2.539 4.454 ( -0.013 -0.444 -1.093) 1.180 4.585 ( 1.349 2.589 0.994) 3.084 4.613 ( -1.120 4.417 -5.424) 7.084 4.777 ( 1.606 0.105 -1.868) 2.466 4.810 ( -0.466 -2.391 -0.736) 2.545 4.901 ( 1.807 -0.910 1.120) 2.313 4.916 ( 0.286 1.778 2.050) 2.728 4.983 ( 1.230 1.589 -4.149) 4.610 5.038 ( 2.889 1.927 -1.455) 3.765 5.175 ( 1.997 -0.814 5.931) 6.311 5.241 ( -2.687 -2.668 -2.593) 4.589 5.324 ( 1.438 -0.709 4.766) 5.028 5.394 ( -2.044 -0.165 2.910) 3.560 5.422 ( 3.668 1.667 4.055) 5.716 5.588 ( -1.783 0.566 -5.790) 6.085 5.638 ( 1.084 0.470 -3.223) 3.433 5.644 ( 1.708 2.617 1.082) 3.307 5.705 ( -6.810 -1.291 -1.774) 7.154 5.742 ( -1.977 1.048 2.211) 3.145 5.822 ( 1.460 2.335 -1.505) 3.138 5.844 ( -1.227 4.434 1.034) 4.715 5.919 ( -2.619 2.288 2.979) 4.579 5.956 ( -2.975 5.854 -1.232) 6.682 6.101 ( 1.063 1.658 0.065) 1.971 6.147 ( 2.607 7.233 2.132) 7.979 6.238 ( 0.070 3.360 -1.240) 3.582 6.309 ( 1.107 1.651 -1.228) 2.337 6.329 ( -0.597 2.284 0.182) 2.368 6.441 ( 1.712 0.426 -3.211) 3.664 6.736 ( -1.191 -6.697 2.966) 7.420 6.814 ( -0.287 -5.876 -2.481) 6.385 6.870 ( 0.111 -4.994 1.189) 5.134 6.931 ( 2.803 -6.740 -1.807) 7.520 7.255 ( 1.142 -1.563 3.668) 4.147 7.297 ( -1.956 -1.472 -2.394) 3.425 8.946 ( -0.482 0.976 1.793) 2.098 8.989 ( 0.482 0.331 -0.704) 0.915 9.031 ( -0.317 -0.429 0.829) 0.986 9.072 ( 0.359 -0.707 -1.330) 1.548 10.638 ( -0.595 -0.009 -0.099) 0.603 10.648 ( -0.711 0.209 -1.109) 1.334 10.717 ( -2.210 -0.697 1.435) 2.726 10.789 ( 1.891 -0.918 -1.415) 2.534 10.961 ( -0.447 -0.852 -0.675) 1.175 10.967 ( 0.301 -0.707 -0.855) 1.150 11.298 ( -3.023 -1.291 -0.633) 3.348 11.319 ( 2.783 -1.538 2.153) 3.840 11.485 ( 0.672 1.765 1.929) 2.699 11.510 ( 0.256 1.800 -0.309) 1.845 11.801 ( 0.656 -1.249 0.755) 1.601 11.839 ( 0.524 -2.424 -2.479) 3.507 12.251 ( -2.363 3.306 4.227) 5.863 12.383 ( 0.792 0.646 -4.659) 4.770 12.907 ( -5.875 -2.219 0.551) 6.304 12.952 ( 1.393 0.732 4.053) 4.347 13.018 ( -0.655 0.368 3.484) 3.565 13.077 ( 1.252 3.158 -0.391) 3.420 13.172 ( -2.388 0.282 2.685) 3.604 13.298 ( 2.942 0.155 -2.365) 3.778 13.382 ( 2.676 0.275 3.430) 4.359 13.494 ( 1.408 -1.044 -5.650) 5.915 13.641 ( 4.494 -2.441 5.046) 7.184 13.727 ( -3.701 -2.131 -7.421) 8.562 14.129 ( -3.945 -1.179 4.145) 5.842 14.307 ( 3.962 2.378 -3.993) 6.107 ======================= Grid point 127 (66/88) ======================= q-point: (-0.14 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -4.275 -11.352 6.673) 13.845 1.326 ( 0.372 -13.139 -4.320) 13.836 1.474 ( -0.190 -10.699 1.624) 10.823 1.796 ( 6.314 2.214 -8.301) 10.662 1.907 ( -5.356 6.424 -1.055) 8.430 1.999 ( -0.065 7.975 -7.043) 10.640 2.093 ( 2.453 3.436 9.965) 10.822 2.226 ( 3.888 5.672 -8.341) 10.810 2.361 ( -2.200 3.179 0.041) 3.866 2.366 ( 3.210 -0.436 -3.919) 5.085 2.382 ( -0.329 2.567 1.812) 3.159 2.432 ( -3.593 -1.151 4.086) 5.562 2.571 ( 1.053 1.030 0.376) 1.520 2.611 ( 0.067 5.949 -0.096) 5.950 2.695 ( 0.024 -4.465 -2.501) 5.118 2.714 ( 5.302 -0.139 1.206) 5.439 2.779 ( -2.021 -4.989 -1.092) 5.493 2.915 ( 2.806 0.541 6.168) 6.798 2.964 ( -2.746 1.690 1.704) 3.647 3.042 ( -0.969 -1.620 -1.810) 2.615 3.095 ( 0.539 -0.395 -1.275) 1.440 3.160 ( -5.279 2.299 4.027) 7.026 3.187 ( -0.590 -0.348 -4.865) 4.913 3.329 ( 2.103 1.538 0.683) 2.694 3.395 ( -3.436 2.038 1.005) 4.119 3.468 ( -1.723 -0.937 0.157) 1.968 3.474 ( 1.486 -0.441 2.346) 2.812 3.532 ( -0.292 -1.717 -2.236) 2.834 3.606 ( -2.547 -5.157 3.788) 6.887 3.628 ( -2.939 -0.877 0.261) 3.078 3.724 ( 0.018 -0.200 0.125) 0.237 3.741 ( -0.096 1.099 1.515) 1.875 3.764 ( -0.949 -0.624 0.755) 1.364 3.893 ( 3.542 1.242 0.596) 3.800 3.973 ( -0.107 -1.659 2.377) 2.901 3.996 ( -0.180 -1.608 -1.526) 2.224 4.010 ( 0.681 3.810 1.677) 4.218 4.109 ( 3.407 -1.004 -3.780) 5.186 4.142 ( -2.475 -3.588 1.610) 4.647 4.249 ( -1.944 -2.399 -1.036) 3.257 4.300 ( 0.791 0.484 0.727) 1.178 4.376 ( 4.664 0.752 -2.369) 5.285 4.441 ( -0.145 0.213 0.395) 0.471 4.531 ( 6.361 -3.442 2.031) 7.512 4.539 ( 1.778 -0.666 -1.249) 2.273 4.595 ( 4.770 -1.124 0.354) 4.913 4.738 ( -3.139 2.638 1.046) 4.232 4.813 ( -3.789 -2.360 -1.252) 4.636 4.896 ( -1.305 2.107 -0.784) 2.600 4.921 ( 2.037 0.517 0.533) 2.168 4.942 ( 4.589 2.296 -5.094) 7.231 5.018 ( 0.869 0.142 -2.574) 2.720 5.224 ( 2.082 1.742 3.983) 4.820 5.244 ( -2.604 -4.335 -4.101) 6.511 5.343 ( -2.712 2.501 -5.156) 6.340 5.402 ( 0.225 -1.237 2.220) 2.552 5.426 ( -4.300 -0.405 4.027) 5.905 5.506 ( -5.054 0.310 -7.650) 9.174 5.579 ( -2.929 3.780 -3.302) 5.811 5.620 ( 2.751 2.451 1.004) 3.819 5.655 ( 0.848 3.646 5.435) 6.599 5.744 ( 2.301 2.431 0.522) 3.388 5.790 ( -0.539 -3.736 2.822) 4.713 5.863 ( 0.079 -1.462 0.956) 1.749 5.883 ( -2.615 1.923 4.942) 5.913 5.915 ( 0.342 -0.194 -0.043) 0.396 6.073 ( 0.885 3.406 -0.264) 3.529 6.097 ( 1.437 1.187 -0.571) 1.950 6.215 ( -2.756 2.388 -4.388) 5.705 6.254 ( 1.083 -2.103 1.877) 3.020 6.351 ( 0.155 0.049 2.494) 2.499 6.427 ( 3.753 0.313 -4.064) 5.541 6.800 ( -3.259 -2.420 0.465) 4.086 6.872 ( 1.041 -2.455 -0.051) 2.667 6.923 ( -0.446 -1.397 1.068) 1.814 7.012 ( 3.433 -2.930 -2.748) 5.284 7.262 ( -1.887 0.540 0.868) 2.146 7.322 ( 1.618 -0.228 0.636) 1.753 8.936 ( -0.930 0.928 0.799) 1.537 8.973 ( 0.650 1.038 -0.894) 1.517 9.053 ( -0.204 -0.931 1.576) 1.842 9.077 ( 0.390 -0.816 -1.219) 1.518 10.631 ( -0.103 0.709 0.362) 0.803 10.636 ( -0.241 0.166 0.013) 0.293 10.727 ( -1.981 -1.487 0.752) 2.589 10.802 ( 2.266 0.604 0.249) 2.358 10.970 ( -0.720 -1.696 -0.753) 1.991 10.988 ( 0.906 -1.261 0.748) 1.723 11.263 ( -4.094 0.109 -2.861) 4.996 11.341 ( -0.528 1.065 -1.106) 1.624 11.475 ( -0.109 0.293 0.441) 0.540 11.489 ( 0.442 1.099 -0.043) 1.185 11.857 ( 1.543 -1.443 3.181) 3.819 11.877 ( 2.350 -3.995 -1.207) 4.790 12.215 ( -3.684 3.589 5.039) 7.200 12.357 ( 2.598 -0.508 -3.926) 4.735 12.889 ( -3.652 -0.040 0.786) 3.736 12.973 ( -1.736 1.564 2.584) 3.483 13.031 ( 0.114 -1.614 0.512) 1.697 13.055 ( 2.131 1.560 1.435) 3.006 13.129 ( -5.142 2.224 0.387) 5.616 13.323 ( 4.073 -1.263 -1.024) 4.386 13.390 ( -0.696 0.911 -0.545) 1.270 13.505 ( 3.670 -1.642 -3.809) 5.539 13.616 ( -6.037 0.287 -7.136) 9.351 13.800 ( 6.424 -1.972 7.047) 9.737 14.139 ( -2.807 -0.809 2.461) 3.820 14.274 ( 3.146 2.157 -2.963) 4.830 ======================= Grid point 132 (67/88) ======================= q-point: (-0.43 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -14.587 0.000 -1.297) 14.644 1.307 ( 6.644 -0.000 -9.284) 11.416 1.480 ( -21.668 0.000 -3.893) 22.015 1.801 ( 14.672 -0.000 -2.464) 14.877 1.852 ( -13.151 0.000 -1.531) 13.240 1.920 ( 0.161 -0.000 1.584) 1.593 2.047 ( -6.628 0.000 -0.858) 6.683 2.271 ( 6.847 -0.000 -2.266) 7.212 2.291 ( 6.647 -0.000 -5.962) 8.929 2.355 ( 3.456 -0.000 0.251) 3.465 2.505 ( 5.233 -0.000 0.535) 5.260 2.523 ( 2.255 -0.000 3.513) 4.174 2.582 ( -6.292 0.000 -3.320) 7.114 2.608 ( 6.421 -0.000 0.090) 6.421 2.708 ( 0.391 -0.000 11.564) 11.571 2.733 ( -0.999 0.000 2.190) 2.407 2.842 ( 1.205 -0.000 1.382) 1.834 2.908 ( -0.964 0.000 -3.265) 3.405 2.972 ( 1.147 -0.000 6.564) 6.663 2.980 ( 4.771 -0.000 3.857) 6.135 3.081 ( -0.902 0.000 -1.225) 1.521 3.199 ( -2.026 0.000 -8.593) 8.828 3.200 ( -6.530 0.000 8.785) 10.946 3.317 ( 4.522 -0.000 1.556) 4.782 3.341 ( 0.943 -0.000 -3.761) 3.878 3.447 ( -0.682 0.000 -1.018) 1.225 3.533 ( -1.532 0.000 0.117) 1.536 3.537 ( -1.051 0.000 -0.292) 1.091 3.567 ( -2.052 0.000 -2.166) 2.984 3.623 ( 3.743 -0.000 3.927) 5.425 3.688 ( -1.756 0.000 -0.113) 1.760 3.719 ( 5.235 -0.000 -2.802) 5.937 3.791 ( -1.416 0.000 1.473) 2.043 3.806 ( 0.299 -0.000 2.797) 2.813 3.831 ( -2.975 0.000 -1.129) 3.182 3.938 ( 0.720 -0.000 -8.934) 8.963 3.947 ( -1.204 0.000 2.756) 3.008 4.059 ( 3.775 -0.000 -2.689) 4.634 4.207 ( -3.724 0.000 3.932) 5.416 4.283 ( 0.897 -0.000 -0.500) 1.027 4.376 ( -1.211 0.000 -5.165) 5.305 4.428 ( 1.609 -0.000 2.764) 3.198 4.440 ( -7.301 0.000 -0.669) 7.332 4.504 ( 5.643 -0.000 -2.180) 6.050 4.635 ( 2.524 -0.000 1.539) 2.956 4.719 ( -1.814 0.000 -6.941) 7.174 4.725 ( 0.645 -0.000 -0.498) 0.815 4.756 ( 3.491 -0.000 -1.191) 3.689 4.887 ( 3.207 -0.000 2.205) 3.892 4.920 ( 1.477 -0.000 -3.628) 3.918 5.069 ( -0.407 0.000 1.776) 1.822 5.079 ( 0.754 -0.000 3.796) 3.870 5.100 ( 2.714 -0.000 7.042) 7.546 5.198 ( -0.820 0.000 -3.152) 3.257 5.321 ( -1.370 0.000 5.373) 5.545 5.415 ( 2.085 -0.000 -0.283) 2.104 5.455 ( 2.853 -0.000 5.677) 6.353 5.594 ( -0.749 0.000 -3.494) 3.573 5.628 ( -8.015 0.000 -7.200) 10.774 5.636 ( 1.913 -0.000 -0.720) 2.044 5.702 ( 3.939 -0.000 1.182) 4.113 5.707 ( -3.401 0.000 -6.457) 7.298 5.883 ( -0.824 0.000 5.474) 5.535 5.930 ( -4.794 0.000 2.491) 5.403 6.002 ( 0.525 -0.000 2.175) 2.237 6.081 ( 0.721 -0.000 -7.675) 7.709 6.192 ( -5.319 0.000 4.873) 7.213 6.322 ( 2.745 -0.000 4.950) 5.660 6.353 ( -2.348 0.000 -3.177) 3.950 6.408 ( 4.605 -0.000 -3.640) 5.870 6.429 ( -1.862 0.000 0.831) 2.039 6.467 ( 3.150 -0.000 2.131) 3.803 6.582 ( -4.023 0.000 -2.603) 4.791 6.613 ( 4.140 -0.000 -0.814) 4.219 6.707 ( -0.939 0.000 -0.803) 1.236 6.714 ( 1.574 -0.000 0.136) 1.580 7.219 ( 3.258 -0.000 5.471) 6.368 7.271 ( -4.176 0.000 -3.966) 5.759 8.971 ( -1.108 0.000 2.229) 2.489 8.982 ( 1.142 -0.000 1.720) 2.064 9.036 ( 0.308 -0.000 -1.214) 1.252 9.055 ( -0.103 0.000 -1.837) 1.840 10.628 ( -0.706 0.000 -0.271) 0.756 10.645 ( -0.684 0.000 -1.744) 1.873 10.706 ( -4.821 0.000 -0.722) 4.875 10.767 ( 4.203 -0.000 -0.195) 4.207 10.951 ( -1.491 0.000 -1.583) 2.175 10.955 ( 0.780 -0.000 -0.572) 0.967 11.259 ( -2.686 0.000 0.392) 2.714 11.279 ( 1.852 -0.000 2.029) 2.747 11.525 ( 0.640 -0.000 1.861) 1.968 11.549 ( 0.742 -0.000 0.179) 0.764 11.795 ( -2.183 0.000 -3.120) 3.808 11.799 ( 4.663 -0.000 1.584) 4.925 12.330 ( -2.060 0.000 0.162) 2.066 12.383 ( 0.817 -0.000 -2.366) 2.503 12.856 ( -7.365 0.000 0.970) 7.429 12.994 ( 6.767 -0.000 0.573) 6.792 13.047 ( -1.773 0.000 5.631) 5.903 13.115 ( -4.225 0.000 9.702) 10.582 13.149 ( 0.079 -0.000 -0.625) 0.630 13.310 ( 4.065 -0.000 -0.292) 4.075 13.397 ( 4.714 -0.000 3.044) 5.611 13.478 ( -0.523 0.000 -5.407) 5.433 13.601 ( -1.036 0.000 -3.548) 3.696 13.644 ( -0.446 0.000 -6.110) 6.126 14.113 ( -3.482 0.000 6.881) 7.712 14.350 ( 5.152 -0.000 -5.677) 7.666 ======================= Grid point 133 (68/88) ======================= q-point: (-0.29 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -14.976 -6.498 4.729) 16.996 1.173 ( -23.791 4.500 0.368) 24.215 1.335 ( 6.687 -0.446 -3.781) 7.695 1.807 ( -10.500 -11.869 -1.291) 15.899 1.889 ( 3.970 -0.410 -3.088) 5.046 1.984 ( -0.314 -4.342 -3.580) 5.636 2.028 ( -10.038 -8.768 2.496) 13.560 2.253 ( 5.237 3.700 -7.394) 9.787 2.332 ( 1.743 1.837 -7.051) 7.492 2.345 ( 8.011 -1.209 -0.178) 8.104 2.461 ( 4.309 3.444 -0.979) 5.602 2.520 ( -2.647 3.741 1.708) 4.891 2.624 ( 6.496 -2.427 -0.986) 7.005 2.655 ( 0.698 0.647 2.168) 2.368 2.703 ( -5.351 5.542 2.919) 8.238 2.741 ( -2.123 0.315 1.303) 2.511 2.852 ( 2.682 2.410 -1.595) 3.942 2.895 ( 1.009 -3.396 -0.980) 3.676 3.009 ( 2.841 2.988 4.648) 6.213 3.053 ( 2.680 4.432 -2.453) 5.731 3.078 ( 1.762 -1.629 4.009) 4.672 3.136 ( -2.460 1.275 1.985) 3.408 3.250 ( 0.093 -3.124 5.326) 6.175 3.274 ( -3.103 0.243 0.556) 3.161 3.387 ( 1.411 0.947 -1.361) 2.177 3.420 ( 1.456 1.017 -0.823) 1.958 3.477 ( -4.211 2.520 -0.699) 4.957 3.529 ( 1.698 -1.107 -0.196) 2.037 3.595 ( 0.361 -1.690 1.478) 2.274 3.663 ( -1.668 -1.128 -2.226) 3.002 3.704 ( 1.382 -0.427 -2.296) 2.713 3.720 ( 3.664 -1.220 2.978) 4.877 3.786 ( 0.780 0.011 0.765) 1.092 3.837 ( 0.115 -3.382 -3.310) 4.733 3.870 ( 0.596 -2.553 2.128) 3.376 3.894 ( -1.226 -3.339 -1.512) 3.865 4.018 ( 3.669 -1.759 4.086) 5.767 4.062 ( 2.492 0.222 -0.541) 2.560 4.209 ( -3.647 2.516 2.715) 5.196 4.228 ( -3.434 3.368 -1.439) 5.020 4.322 ( -0.275 -2.027 -1.492) 2.532 4.401 ( 0.774 3.085 -0.204) 3.187 4.461 ( 2.718 0.566 0.218) 2.785 4.485 ( 3.817 3.397 -0.643) 5.150 4.627 ( -1.387 2.226 -1.100) 2.844 4.650 ( 1.521 2.661 0.744) 3.154 4.752 ( -0.654 -0.470 -1.888) 2.053 4.791 ( 4.210 -2.308 -0.823) 4.871 4.908 ( 1.183 -1.305 -4.317) 4.663 4.918 ( 1.014 0.195 0.917) 1.381 5.035 ( 0.858 5.278 1.439) 5.538 5.088 ( 1.334 2.273 0.113) 2.638 5.170 ( 0.063 -0.959 -5.686) 5.767 5.213 ( 2.720 -2.210 6.442) 7.334 5.353 ( -0.077 -0.505 2.776) 2.823 5.396 ( -1.329 0.923 -2.957) 3.371 5.467 ( -5.327 -1.312 -8.247) 9.905 5.484 ( -2.343 1.402 1.134) 2.957 5.613 ( -3.285 -1.764 -0.823) 3.818 5.633 ( -1.667 0.472 -4.176) 4.522 5.669 ( 2.017 -0.664 2.753) 3.477 5.772 ( 2.961 -1.628 5.644) 6.578 5.884 ( -1.650 3.438 3.967) 5.502 5.910 ( -3.043 1.595 2.826) 4.449 5.949 ( -1.304 5.498 -3.595) 6.697 6.021 ( -2.607 4.127 0.907) 4.965 6.142 ( -1.019 2.941 2.259) 3.846 6.268 ( -1.803 3.693 -3.390) 5.328 6.310 ( 3.149 8.019 1.628) 8.768 6.349 ( -0.791 6.231 -5.134) 8.112 6.387 ( 0.695 2.961 4.371) 5.326 6.455 ( 2.564 2.500 -1.991) 4.097 6.617 ( -2.591 -8.363 0.447) 8.767 6.702 ( 1.499 -7.246 -1.345) 7.521 6.792 ( 0.925 -6.399 1.014) 6.545 6.818 ( 3.209 -9.748 -0.766) 10.291 7.225 ( -2.515 -1.411 -2.793) 4.014 7.299 ( 3.241 -0.699 5.058) 6.048 8.964 ( -1.114 0.794 0.321) 1.405 9.001 ( 1.100 0.609 0.623) 1.403 9.033 ( -0.044 -0.159 0.776) 0.794 9.051 ( 0.406 -0.941 -1.414) 1.747 10.630 ( -0.689 -0.455 0.861) 1.193 10.636 ( -0.418 -0.366 -0.330) 0.646 10.674 ( -3.980 -1.347 -0.081) 4.202 10.800 ( 3.312 -0.269 -0.161) 3.327 10.938 ( -0.990 -0.590 -0.406) 1.222 10.966 ( 1.139 -0.275 0.741) 1.386 11.243 ( -3.510 -0.878 -0.573) 3.663 11.322 ( 1.504 -2.081 1.057) 2.777 11.505 ( -1.894 1.728 -1.671) 3.061 11.533 ( -0.329 0.909 -1.714) 1.968 11.771 ( -0.642 -1.785 -1.768) 2.593 11.859 ( 5.759 0.502 2.329) 6.233 12.303 ( -2.425 1.645 2.527) 3.870 12.361 ( 0.016 0.944 -3.347) 3.477 12.824 ( -6.098 -2.111 1.334) 6.590 13.026 ( 1.886 3.101 3.743) 5.214 13.064 ( -0.131 1.706 4.445) 4.763 13.121 ( 2.150 1.808 -1.782) 3.326 13.170 ( -2.488 -1.243 3.174) 4.220 13.313 ( 2.787 0.901 -2.518) 3.863 13.420 ( 0.530 1.262 -2.241) 2.626 13.463 ( 3.438 -1.119 -1.373) 3.867 13.602 ( -2.296 -1.157 -6.097) 6.616 13.662 ( 3.999 -5.849 5.023) 8.685 14.128 ( -4.676 0.305 5.781) 7.441 14.324 ( 4.033 1.125 -7.792) 8.846 ======================= Grid point 134 (69/88) ======================= q-point: (-0.14 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -10.189 -16.119 3.653) 19.416 1.133 ( -14.548 -11.592 14.299) 23.462 1.416 ( 7.711 -3.552 0.273) 8.494 1.840 ( -1.431 2.627 -3.282) 4.440 1.873 ( -0.532 -1.051 -7.419) 7.512 2.059 ( -3.762 -12.321 1.370) 12.955 2.117 ( -1.797 0.173 -8.472) 8.662 2.164 ( -1.838 -4.975 1.776) 5.593 2.271 ( 1.305 1.944 -3.087) 3.874 2.340 ( -4.023 2.859 -7.735) 9.176 2.451 ( 2.294 3.518 3.528) 5.485 2.497 ( 3.281 0.885 0.726) 3.475 2.559 ( -5.335 4.467 2.578) 7.420 2.624 ( -0.266 1.955 -0.616) 2.067 2.712 ( 4.555 0.203 -1.656) 4.851 2.740 ( 0.168 -0.822 -2.854) 2.975 2.811 ( 4.956 4.988 1.789) 7.255 2.941 ( 1.810 -2.647 -0.345) 3.225 2.988 ( 1.055 1.308 -5.185) 5.451 3.044 ( 1.990 -0.235 2.589) 3.274 3.073 ( -3.805 1.743 -2.414) 4.831 3.099 ( -1.464 2.258 5.245) 5.895 3.232 ( -4.959 3.727 7.371) 9.634 3.300 ( -2.363 0.235 -4.664) 5.234 3.405 ( -1.569 -1.663 1.327) 2.644 3.429 ( -1.523 -1.199 1.808) 2.651 3.485 ( 4.097 -2.242 0.685) 4.720 3.549 ( 1.336 -1.815 -0.331) 2.278 3.594 ( 0.754 0.930 0.109) 1.202 3.643 ( 0.485 2.525 1.992) 3.253 3.728 ( 0.170 -0.924 0.589) 1.109 3.753 ( -1.027 0.302 3.367) 3.533 3.790 ( 2.960 1.575 -0.447) 3.382 3.879 ( -0.634 -2.943 -4.037) 5.036 3.935 ( -2.680 -3.869 -0.432) 4.726 3.949 ( 4.877 -4.183 1.062) 6.512 4.034 ( -6.697 2.466 0.129) 7.138 4.091 ( 0.767 0.633 -2.292) 2.499 4.134 ( 5.610 -2.477 3.203) 6.919 4.245 ( -0.512 0.428 3.603) 3.665 4.339 ( 1.459 -0.049 3.756) 4.030 4.419 ( 6.904 1.326 -2.354) 7.413 4.467 ( 0.932 1.594 1.756) 2.548 4.500 ( 3.647 -3.654 -0.408) 5.178 4.593 ( 3.599 0.246 -0.156) 3.611 4.640 ( 0.657 3.831 4.437) 5.899 4.722 ( -3.887 -1.783 -3.089) 5.276 4.804 ( 1.647 4.182 -0.299) 4.505 4.907 ( 1.270 -1.576 -5.222) 5.600 4.916 ( -1.502 1.268 1.470) 2.455 4.981 ( 1.206 2.569 0.673) 2.917 5.033 ( 1.034 3.378 -3.144) 4.730 5.141 ( -0.616 -1.874 -5.568) 5.907 5.245 ( -4.303 0.241 -4.530) 6.253 5.335 ( 2.188 3.574 -2.680) 4.974 5.390 ( 0.278 -3.102 -1.224) 3.346 5.419 ( -3.350 0.416 -0.607) 3.430 5.438 ( -3.243 1.598 1.329) 3.852 5.568 ( -2.842 1.222 -0.617) 3.155 5.624 ( 0.117 -1.553 -0.628) 1.679 5.742 ( 0.724 -3.394 3.732) 5.096 5.787 ( -3.628 6.040 5.275) 8.802 5.824 ( -0.427 5.030 -1.702) 5.328 5.869 ( -0.539 0.907 1.277) 1.657 5.913 ( 2.359 -1.424 1.858) 3.323 5.939 ( -4.710 3.735 5.518) 8.160 6.105 ( 1.161 3.698 -2.348) 4.532 6.198 ( -0.680 6.083 -4.830) 7.798 6.226 ( 0.986 6.429 1.141) 6.604 6.252 ( 1.187 -1.822 2.610) 3.397 6.365 ( -1.613 2.380 0.279) 2.889 6.451 ( 4.928 0.790 -1.510) 5.214 6.713 ( -2.368 -6.086 0.449) 6.546 6.809 ( 0.898 -6.395 -0.905) 6.521 6.889 ( 0.431 -4.222 1.209) 4.412 6.956 ( 3.596 -5.853 -2.141) 7.195 7.230 ( -0.615 -2.748 -0.931) 2.966 7.345 ( 0.280 0.381 2.062) 2.116 8.941 ( -0.857 0.743 -0.666) 1.315 8.996 ( 0.625 1.228 0.533) 1.477 9.047 ( 0.053 -0.955 -0.069) 0.959 9.062 ( 0.469 -0.584 0.240) 0.786 10.632 ( -1.458 -0.404 0.427) 1.572 10.638 ( -0.155 0.022 0.669) 0.687 10.682 ( -1.952 -2.215 0.570) 3.007 10.828 ( 2.150 -0.296 0.877) 2.341 10.943 ( -0.556 -0.977 0.121) 1.130 10.992 ( 1.601 -0.392 1.674) 2.349 11.211 ( -3.712 0.184 -1.585) 4.040 11.319 ( -3.331 0.951 -3.203) 4.718 11.474 ( -0.416 -0.440 -0.914) 1.096 11.514 ( 2.008 0.950 -0.625) 2.308 11.827 ( 2.521 -5.304 0.544) 5.898 11.905 ( 3.988 1.327 2.600) 4.943 12.279 ( -3.001 2.866 4.647) 6.230 12.324 ( 0.862 -0.867 -4.684) 4.841 12.836 ( -3.366 -3.007 1.150) 4.658 13.009 ( -1.229 2.363 2.808) 3.870 13.038 ( -1.478 3.029 1.249) 3.594 13.108 ( 0.835 1.761 0.345) 1.980 13.153 ( -0.250 3.069 0.627) 3.142 13.331 ( 3.499 -1.376 -1.103) 3.918 13.384 ( 0.201 0.712 -3.152) 3.238 13.482 ( -1.494 0.140 -3.370) 3.689 13.543 ( 0.881 0.209 -4.242) 4.338 13.846 ( 5.337 -5.310 6.187) 9.745 14.120 ( -4.815 -0.248 3.564) 5.995 14.286 ( 2.566 0.017 -5.982) 6.509 ======================= Grid point 140 (70/88) ======================= q-point: (-0.29 -0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -19.066 0.000 12.022) 22.540 1.022 ( -28.142 0.000 2.084) 28.219 1.382 ( 10.057 -0.000 -2.380) 10.334 1.402 ( -36.149 0.000 6.708) 36.766 1.903 ( 2.837 -0.000 -1.188) 3.076 1.931 ( -6.536 0.000 1.552) 6.718 1.986 ( 4.644 -0.000 -1.831) 4.992 2.296 ( 11.761 -0.000 -7.358) 13.873 2.296 ( 0.092 -0.000 -5.484) 5.485 2.420 ( 6.967 -0.000 0.181) 6.969 2.509 ( -0.988 0.000 -7.371) 7.437 2.555 ( 7.423 -0.000 0.259) 7.427 2.612 ( 5.604 -0.000 -5.437) 7.808 2.663 ( -2.374 0.000 1.078) 2.608 2.695 ( -0.872 0.000 -6.453) 6.512 2.728 ( -7.305 0.000 3.695) 8.186 2.883 ( 4.556 -0.000 -0.740) 4.616 2.917 ( 3.994 -0.000 3.922) 5.598 3.021 ( -1.104 0.000 -7.758) 7.836 3.069 ( -0.074 0.000 0.614) 0.619 3.091 ( -3.897 0.000 -0.761) 3.970 3.180 ( -1.453 0.000 6.411) 6.574 3.271 ( 2.018 -0.000 9.273) 9.490 3.342 ( 4.954 -0.000 -1.916) 5.312 3.373 ( 2.690 -0.000 -7.403) 7.876 3.455 ( -4.351 0.000 2.635) 5.087 3.480 ( 4.222 -0.000 4.838) 6.421 3.510 ( -1.730 0.000 0.303) 1.756 3.601 ( 3.231 -0.000 1.957) 3.778 3.634 ( -1.398 0.000 -2.542) 2.901 3.670 ( -0.019 0.000 -3.966) 3.966 3.726 ( -1.170 0.000 1.986) 2.305 3.774 ( -1.009 0.000 -0.688) 1.221 3.826 ( 5.834 -0.000 3.241) 6.674 3.830 ( -4.744 0.000 -2.993) 5.609 3.918 ( 4.017 -0.000 6.162) 7.356 4.053 ( -3.416 0.000 0.431) 3.443 4.111 ( 8.320 -0.000 7.822) 11.420 4.184 ( -5.574 0.000 -2.962) 6.312 4.261 ( -3.411 0.000 0.103) 3.412 4.265 ( -0.086 0.000 2.227) 2.229 4.453 ( 4.137 -0.000 1.794) 4.509 4.477 ( 4.372 -0.000 -5.151) 6.756 4.555 ( 1.382 -0.000 1.385) 1.957 4.611 ( -0.127 0.000 -2.734) 2.737 4.697 ( 1.050 -0.000 1.756) 2.047 4.746 ( 1.914 -0.000 -0.895) 2.113 4.796 ( 1.203 -0.000 0.610) 1.349 4.872 ( 2.275 -0.000 -4.707) 5.228 4.933 ( -0.648 0.000 0.981) 1.176 5.078 ( -1.241 0.000 -10.564) 10.636 5.089 ( 1.976 -0.000 -2.308) 3.038 5.141 ( 4.092 -0.000 -4.541) 6.113 5.264 ( -3.073 0.000 2.296) 3.836 5.305 ( -1.344 0.000 -2.076) 2.473 5.362 ( -0.978 0.000 -1.146) 1.507 5.405 ( 2.631 -0.000 0.706) 2.724 5.504 ( -3.426 0.000 3.125) 4.637 5.568 ( -3.589 0.000 -0.017) 3.589 5.594 ( -1.693 0.000 -1.973) 2.600 5.693 ( 2.381 -0.000 0.997) 2.581 5.847 ( 1.298 -0.000 9.712) 9.798 5.898 ( -2.173 0.000 -1.551) 2.670 5.901 ( -4.616 0.000 0.785) 4.682 5.987 ( 0.767 -0.000 -2.309) 2.433 6.042 ( -1.947 0.000 5.435) 5.773 6.183 ( -3.068 0.000 4.258) 5.248 6.240 ( -4.515 0.000 -3.967) 6.010 6.359 ( -2.953 0.000 -3.610) 4.664 6.425 ( 1.989 -0.000 -2.549) 3.233 6.448 ( 3.908 -0.000 3.037) 4.949 6.496 ( -2.022 0.000 0.380) 2.057 6.536 ( 4.813 -0.000 0.439) 4.833 6.661 ( 1.681 -0.000 -0.353) 1.718 6.710 ( 1.767 -0.000 -0.094) 1.770 6.762 ( 2.244 -0.000 0.934) 2.431 7.177 ( -1.106 0.000 -2.252) 2.509 7.356 ( 1.961 -0.000 3.338) 3.871 8.957 ( -0.947 0.000 -1.079) 1.436 9.018 ( 0.513 -0.000 -2.293) 2.350 9.030 ( 0.605 -0.000 1.549) 1.663 9.049 ( 0.347 -0.000 1.549) 1.587 10.618 ( -2.478 0.000 -0.672) 2.568 10.635 ( -0.486 0.000 2.075) 2.131 10.640 ( -1.549 0.000 1.344) 2.051 10.825 ( 2.490 -0.000 0.852) 2.632 10.925 ( -0.976 0.000 0.482) 1.088 10.996 ( 2.748 -0.000 3.682) 4.594 11.212 ( -2.639 0.000 0.435) 2.675 11.311 ( 0.510 -0.000 -0.411) 0.655 11.470 ( -3.817 0.000 -8.590) 9.400 11.496 ( -2.535 0.000 -0.897) 2.689 11.742 ( -0.360 0.000 -0.113) 0.377 11.936 ( 6.700 -0.000 1.912) 6.968 12.296 ( -3.336 0.000 0.956) 3.470 12.355 ( -0.462 0.000 -2.344) 2.390 12.781 ( -4.867 0.000 3.400) 5.937 13.112 ( 1.601 -0.000 -2.258) 2.768 13.117 ( -0.480 0.000 7.380) 7.396 13.142 ( -3.841 0.000 1.508) 4.126 13.144 ( 7.538 -0.000 -0.838) 7.584 13.305 ( 2.299 -0.000 -7.008) 7.376 13.405 ( 1.706 -0.000 -4.367) 4.688 13.482 ( 1.481 -0.000 1.608) 2.186 13.611 ( 0.622 -0.000 5.838) 5.871 13.644 ( 3.169 -0.000 2.649) 4.130 14.136 ( -5.306 0.000 5.117) 7.372 14.269 ( 0.924 -0.000 -13.900) 13.931 ======================= Grid point 141 (71/88) ======================= q-point: (-0.14 -0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( -17.210 -8.964 10.635) 22.128 0.978 ( -18.202 -11.678 18.025) 28.153 1.435 ( -27.041 -22.105 12.397) 37.062 1.458 ( 7.801 -1.662 0.597) 7.998 1.854 ( -3.350 1.454 -0.866) 3.753 1.945 ( 2.423 2.780 -6.588) 7.550 2.022 ( 2.889 -7.212 -1.942) 8.008 2.248 ( -2.701 3.478 -2.120) 4.888 2.320 ( 8.190 2.283 -6.773) 10.870 2.338 ( 3.271 6.838 -0.882) 7.631 2.500 ( -0.866 1.322 -4.073) 4.369 2.523 ( -1.872 1.833 -5.044) 5.684 2.621 ( -2.099 3.863 -1.199) 4.557 2.632 ( 0.122 0.115 -0.008) 0.168 2.679 ( 1.036 -1.368 -2.564) 3.085 2.691 ( 1.659 -2.097 -4.764) 5.463 2.910 ( 2.273 1.734 4.424) 5.267 2.920 ( 1.975 0.398 -9.186) 9.404 2.992 ( 2.754 -2.235 -0.698) 3.615 3.036 ( 3.773 4.186 -0.433) 5.652 3.075 ( -7.407 -0.220 2.802) 7.922 3.198 ( -1.844 1.777 1.621) 3.030 3.271 ( -0.822 0.335 -4.887) 4.967 3.278 ( -0.093 4.379 1.946) 4.793 3.412 ( 1.603 0.787 1.820) 2.550 3.434 ( -1.235 1.937 2.481) 3.382 3.496 ( 1.216 -1.245 0.518) 1.816 3.537 ( -0.372 2.374 -1.250) 2.709 3.600 ( 2.069 -5.118 -0.337) 5.531 3.670 ( -1.886 -0.615 1.987) 2.808 3.682 ( 0.030 -1.258 1.351) 1.846 3.754 ( -1.720 -0.114 -0.572) 1.816 3.785 ( 2.329 -1.499 3.133) 4.182 3.821 ( -1.638 -4.397 1.227) 4.850 3.911 ( 4.153 -1.419 1.756) 4.727 3.954 ( -2.796 1.402 1.406) 3.429 4.023 ( -2.146 0.165 1.641) 2.707 4.131 ( 2.017 -0.835 -1.675) 2.751 4.166 ( 1.845 4.579 1.803) 5.256 4.287 ( 1.619 0.481 5.334) 5.595 4.324 ( 0.298 -5.608 5.065) 7.562 4.464 ( 1.925 -0.437 -5.041) 5.414 4.492 ( 3.060 1.851 -0.477) 3.608 4.510 ( 0.984 1.753 0.961) 2.228 4.634 ( 0.713 -1.393 0.048) 1.566 4.690 ( -0.672 4.947 0.747) 5.048 4.731 ( 5.266 0.242 -0.276) 5.279 4.823 ( -0.477 -0.646 -0.741) 1.093 4.857 ( 2.084 -0.950 -5.096) 5.587 4.923 ( -1.825 0.469 1.188) 2.227 4.979 ( -5.520 -0.186 -7.123) 9.014 5.080 ( 3.334 1.388 -0.720) 3.683 5.111 ( 3.770 2.156 -3.728) 5.723 5.186 ( -4.001 1.370 -3.320) 5.376 5.318 ( -0.110 -0.334 -5.825) 5.835 5.394 ( 2.963 0.773 0.842) 3.175 5.426 ( 4.024 -0.534 3.219) 5.181 5.462 ( -4.974 4.074 1.872) 6.697 5.562 ( -2.104 -0.764 0.874) 2.403 5.589 ( -1.746 -1.976 1.364) 2.969 5.735 ( 2.080 -1.518 1.467) 2.963 5.822 ( -8.076 2.099 1.263) 8.439 5.860 ( -1.454 1.494 -1.436) 2.532 5.920 ( 0.500 5.566 0.429) 5.605 5.947 ( 1.027 0.041 6.374) 6.457 6.006 ( -5.585 5.464 4.588) 9.061 6.157 ( -1.301 2.966 -0.802) 3.337 6.213 ( 0.656 0.706 -0.524) 1.097 6.251 ( -2.481 3.126 -1.090) 4.137 6.377 ( 3.713 6.529 -0.339) 7.519 6.425 ( -0.649 5.782 2.101) 6.186 6.500 ( 4.486 1.879 -1.550) 5.105 6.609 ( -0.082 -6.160 2.044) 6.490 6.712 ( 2.626 -6.009 -1.246) 6.676 6.829 ( 1.330 -5.456 0.822) 5.675 6.858 ( 3.466 -9.619 -1.671) 10.360 7.178 ( 0.277 -2.457 -1.169) 2.735 7.350 ( -3.664 0.789 -0.979) 3.874 8.937 ( -0.614 0.488 -1.115) 1.363 9.004 ( 0.364 -0.315 -2.288) 2.338 9.045 ( 0.453 0.416 1.546) 1.664 9.068 ( 0.367 -0.342 1.408) 1.495 10.598 ( -2.759 -1.009 -0.455) 2.973 10.647 ( -0.166 -0.140 1.837) 1.850 10.656 ( -1.155 -0.951 1.652) 2.228 10.846 ( 1.118 0.157 0.741) 1.350 10.931 ( -0.529 -0.730 0.987) 1.337 11.047 ( 3.793 2.219 4.590) 6.355 11.191 ( -2.121 1.231 0.626) 2.531 11.283 ( -3.121 1.618 -3.181) 4.741 11.436 ( 0.715 -3.485 -2.997) 4.651 11.504 ( 1.986 -4.279 -1.659) 5.001 11.770 ( 0.737 -4.091 1.292) 4.353 11.986 ( 5.063 1.883 1.414) 5.584 12.272 ( -2.944 -0.372 -1.375) 3.271 12.315 ( -2.227 1.193 -0.618) 2.601 12.792 ( -3.068 -1.739 4.157) 5.452 13.051 ( -0.486 3.277 -3.240) 4.634 13.100 ( -0.818 2.005 -3.217) 3.878 13.140 ( 2.162 4.513 5.269) 7.266 13.219 ( 4.522 0.927 3.125) 5.574 13.297 ( 3.147 -3.205 -4.685) 6.491 13.386 ( 2.421 1.167 -2.649) 3.774 13.470 ( -3.817 3.806 0.704) 5.436 13.573 ( 2.387 3.903 0.730) 4.633 13.832 ( 4.813 -7.886 5.850) 10.935 14.101 ( -7.033 0.570 1.406) 7.195 14.193 ( -1.684 -5.388 -10.320) 11.764 ======================= Grid point 148 (72/88) ======================= q-point: (-0.14 -0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( -14.520 0.000 19.545) 24.348 0.719 ( -20.057 0.000 14.976) 25.031 1.305 ( -17.465 0.000 37.497) 41.365 1.514 ( 6.470 -0.000 -0.300) 6.477 1.879 ( -0.361 0.000 -0.279) 0.456 1.920 ( 0.548 -0.000 -2.770) 2.823 1.944 ( 5.890 -0.000 -12.137) 13.491 2.234 ( -5.211 0.000 -0.021) 5.212 2.308 ( -0.479 0.000 -12.133) 12.143 2.392 ( -6.545 0.000 -12.523) 14.130 2.448 ( -0.231 0.000 3.263) 3.271 2.509 ( 3.708 -0.000 0.600) 3.756 2.585 ( -4.301 0.000 1.096) 4.439 2.607 ( 1.249 -0.000 -3.724) 3.928 2.646 ( 0.081 -0.000 -4.713) 4.714 2.719 ( -3.069 0.000 3.817) 4.898 2.879 ( 7.697 -0.000 -8.714) 11.627 2.964 ( 3.539 -0.000 2.119) 4.124 2.975 ( -0.801 0.000 -2.311) 2.446 3.049 ( -5.520 0.000 2.643) 6.120 3.120 ( 9.997 -0.000 0.425) 10.006 3.191 ( 1.623 -0.000 -9.386) 9.525 3.235 ( 2.302 -0.000 0.855) 2.456 3.327 ( -4.396 0.000 -8.936) 9.958 3.365 ( -2.397 0.000 2.167) 3.231 3.473 ( -2.362 0.000 -2.505) 3.443 3.497 ( -1.885 0.000 2.079) 2.807 3.531 ( -1.637 0.000 5.008) 5.269 3.593 ( -0.480 0.000 2.124) 2.177 3.617 ( 0.685 -0.000 -4.012) 4.070 3.704 ( -6.835 0.000 2.054) 7.137 3.753 ( 1.182 -0.000 -0.665) 1.357 3.822 ( 2.672 -0.000 5.572) 6.180 3.834 ( 6.817 -0.000 0.510) 6.836 3.927 ( -0.629 0.000 4.448) 4.492 3.975 ( 2.025 -0.000 5.694) 6.044 4.025 ( -1.808 0.000 2.268) 2.900 4.106 ( 1.302 -0.000 -3.556) 3.786 4.172 ( -7.051 0.000 0.857) 7.103 4.327 ( 0.961 -0.000 5.198) 5.287 4.409 ( -0.804 0.000 -0.409) 0.902 4.425 ( 5.625 -0.000 4.711) 7.337 4.501 ( 1.965 -0.000 -4.543) 4.950 4.561 ( 1.833 -0.000 2.885) 3.418 4.620 ( 1.386 -0.000 1.209) 1.839 4.730 ( 2.756 -0.000 -3.745) 4.650 4.769 ( 0.593 -0.000 0.680) 0.902 4.794 ( -1.245 0.000 -5.413) 5.554 4.837 ( 1.778 -0.000 -0.099) 1.780 4.852 ( -4.117 0.000 -4.856) 6.366 4.923 ( -1.457 0.000 1.609) 2.171 5.116 ( 2.190 -0.000 0.500) 2.246 5.143 ( 4.956 -0.000 -5.048) 7.074 5.154 ( -1.634 0.000 1.034) 1.934 5.296 ( 3.638 -0.000 -3.287) 4.903 5.401 ( -5.255 0.000 -1.268) 5.406 5.476 ( -1.581 0.000 4.786) 5.040 5.493 ( -0.756 0.000 -1.174) 1.397 5.544 ( 2.757 -0.000 1.314) 3.054 5.569 ( -0.013 0.000 1.353) 1.353 5.739 ( -4.365 0.000 -1.179) 4.521 5.774 ( -2.850 0.000 0.889) 2.986 5.854 ( 0.508 -0.000 -1.794) 1.865 5.991 ( -0.027 0.000 1.787) 1.788 6.010 ( 0.420 -0.000 7.859) 7.870 6.045 ( -5.036 0.000 1.785) 5.342 6.168 ( 0.182 -0.000 0.832) 0.851 6.194 ( -3.455 0.000 2.981) 4.563 6.282 ( 1.028 -0.000 -2.033) 2.278 6.425 ( 2.104 -0.000 -1.807) 2.773 6.488 ( -1.575 0.000 1.349) 2.073 6.543 ( 4.786 -0.000 -2.795) 5.543 6.626 ( 0.511 -0.000 -1.422) 1.511 6.682 ( 2.013 -0.000 -2.038) 2.865 6.743 ( 1.610 -0.000 0.320) 1.642 6.807 ( 6.308 -0.000 1.371) 6.455 7.155 ( 0.714 -0.000 -0.623) 0.948 7.280 ( -8.520 0.000 -3.522) 9.219 8.928 ( -0.460 0.000 -1.001) 1.101 8.982 ( 0.473 -0.000 -2.737) 2.777 9.069 ( 0.479 -0.000 1.614) 1.683 9.078 ( 0.143 -0.000 1.493) 1.500 10.567 ( -2.276 0.000 0.057) 2.276 10.642 ( -1.747 0.000 0.354) 1.783 10.666 ( -0.177 0.000 2.634) 2.640 10.850 ( -0.832 0.000 -1.441) 1.664 10.931 ( -0.624 0.000 2.045) 2.139 11.109 ( -0.279 0.000 -0.329) 0.431 11.264 ( -2.971 0.000 -2.838) 4.109 11.293 ( -0.049 0.000 -2.047) 2.047 11.348 ( 14.883 -0.000 7.097) 16.488 11.464 ( -0.630 0.000 0.726) 0.961 11.760 ( 1.039 -0.000 2.842) 3.026 12.052 ( 5.348 -0.000 0.064) 5.348 12.236 ( -5.211 0.000 -0.089) 5.212 12.275 ( -4.405 0.000 -2.860) 5.252 12.790 ( -4.033 0.000 5.516) 6.834 13.047 ( 1.238 -0.000 -6.559) 6.675 13.052 ( -2.673 0.000 -3.994) 4.805 13.207 ( 1.308 -0.000 -6.256) 6.392 13.309 ( 9.534 -0.000 -0.306) 9.539 13.325 ( 9.122 -0.000 7.015) 11.508 13.398 ( 2.213 -0.000 -1.617) 2.741 13.503 ( -1.919 0.000 0.820) 2.087 13.756 ( 2.945 -0.000 4.265) 5.183 13.786 ( 6.144 -0.000 6.555) 8.984 13.920 ( -13.203 0.000 -9.417) 16.217 14.086 ( -7.610 0.000 1.829) 7.827 ======================= Grid point 149 (73/88) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -3.061 0.000 -20.037) 20.270 1.299 ( 3.061 -0.000 20.037) 20.270 1.357 ( 0.053 -0.000 -11.832) 11.832 1.357 ( -0.053 0.000 11.832) 11.832 1.922 ( -4.109 0.000 -3.588) 5.455 1.922 ( 4.109 -0.000 3.588) 5.455 2.053 ( -3.180 0.000 -6.410) 7.155 2.053 ( 3.180 -0.000 6.410) 7.155 2.239 ( 4.660 -0.000 -8.208) 9.439 2.239 ( -4.660 0.000 8.208) 9.439 2.480 ( 4.069 -0.000 -2.790) 4.934 2.480 ( -4.069 0.000 2.790) 4.934 2.531 ( -7.528 0.000 -19.927) 21.301 2.531 ( 7.528 -0.000 19.927) 21.301 2.719 ( 4.154 -0.000 -4.667) 6.248 2.719 ( -4.154 0.000 4.667) 6.248 2.799 ( 2.541 -0.000 -5.241) 5.825 2.799 ( -2.541 0.000 5.241) 5.825 2.948 ( -5.346 0.000 1.270) 5.495 2.948 ( 5.346 -0.000 -1.270) 5.495 3.138 ( -6.980 0.000 0.503) 6.998 3.138 ( 6.980 -0.000 -0.503) 6.998 3.240 ( -5.530 0.000 -3.307) 6.444 3.240 ( 5.530 -0.000 3.307) 6.444 3.373 ( -4.499 0.000 -3.119) 5.475 3.373 ( 4.499 -0.000 3.119) 5.475 3.549 ( -10.215 0.000 1.504) 10.325 3.549 ( 10.215 -0.000 -1.504) 10.325 3.585 ( 1.243 -0.000 -5.572) 5.709 3.585 ( -1.243 0.000 5.572) 5.709 3.676 ( -0.626 0.000 -1.423) 1.555 3.676 ( 0.626 -0.000 1.423) 1.555 3.865 ( -7.675 0.000 -3.338) 8.370 3.865 ( 7.675 -0.000 3.338) 8.370 4.053 ( 4.115 -0.000 -1.811) 4.496 4.053 ( -4.115 0.000 1.811) 4.496 4.102 ( -3.321 0.000 -0.574) 3.370 4.102 ( 3.321 -0.000 0.574) 3.370 4.223 ( -9.627 0.000 -3.026) 10.092 4.223 ( 9.627 -0.000 3.026) 10.092 4.423 ( -1.305 0.000 -1.128) 1.725 4.423 ( 1.305 -0.000 1.128) 1.725 4.625 ( 4.403 -0.000 -2.077) 4.868 4.625 ( -4.403 0.000 2.077) 4.868 4.692 ( 6.202 -0.000 -5.009) 7.973 4.692 ( -6.202 0.000 5.009) 7.973 4.774 ( 2.402 -0.000 -2.900) 3.765 4.774 ( -2.402 0.000 2.900) 3.765 4.883 ( -4.576 0.000 0.992) 4.683 4.883 ( 4.576 -0.000 -0.992) 4.683 4.980 ( -0.220 0.000 -0.994) 1.018 4.980 ( 0.220 -0.000 0.994) 1.018 5.130 ( -3.910 0.000 -2.707) 4.756 5.130 ( 3.910 -0.000 2.707) 4.756 5.303 ( -6.463 0.000 1.381) 6.609 5.303 ( 6.463 -0.000 -1.381) 6.609 5.517 ( 1.693 -0.000 -3.373) 3.774 5.517 ( -1.693 0.000 3.373) 3.774 5.604 ( 5.818 -0.000 -2.130) 6.196 5.604 ( -5.818 0.000 2.130) 6.196 5.677 ( -3.272 0.000 -5.051) 6.018 5.677 ( 3.272 -0.000 5.051) 6.018 5.918 ( -3.363 0.000 -3.032) 4.528 5.918 ( 3.363 -0.000 3.032) 4.528 6.186 ( 2.827 -0.000 -1.894) 3.402 6.186 ( -2.827 0.000 1.894) 3.402 6.265 ( 3.756 -0.000 -4.373) 5.765 6.265 ( -3.756 0.000 4.373) 5.765 6.275 ( -7.405 0.000 -8.442) 11.230 6.275 ( 7.405 -0.000 8.442) 11.230 6.475 ( -3.334 0.000 -2.936) 4.443 6.475 ( 3.334 -0.000 2.936) 4.443 6.561 ( 1.426 -0.000 -4.046) 4.289 6.561 ( -1.426 0.000 4.046) 4.289 6.805 ( 1.202 -0.000 -3.172) 3.392 6.805 ( -1.202 0.000 3.172) 3.392 7.175 ( -1.705 0.000 -0.218) 1.719 7.175 ( 1.705 -0.000 0.218) 1.719 8.918 ( 0.749 -0.000 -1.219) 1.431 8.918 ( -0.749 0.000 1.219) 1.431 9.105 ( 0.102 -0.000 -0.179) 0.206 9.105 ( -0.102 0.000 0.179) 0.206 10.581 ( 0.021 -0.000 -1.743) 1.743 10.581 ( -0.021 0.000 1.743) 1.743 10.743 ( -0.849 0.000 -1.730) 1.927 10.743 ( 0.849 -0.000 1.730) 1.927 11.074 ( -0.132 0.000 -5.982) 5.983 11.074 ( 0.132 -0.000 5.982) 5.983 11.199 ( -0.729 0.000 -2.877) 2.968 11.199 ( 0.729 -0.000 2.877) 2.968 11.510 ( -0.091 0.000 -0.677) 0.683 11.510 ( 0.091 -0.000 0.677) 0.683 12.026 ( -8.867 0.000 -2.874) 9.321 12.026 ( 8.867 -0.000 2.874) 9.321 12.148 ( -4.312 0.000 0.481) 4.339 12.148 ( 4.312 -0.000 -0.481) 4.339 12.879 ( 4.551 -0.000 -4.656) 6.511 12.879 ( -4.551 0.000 4.656) 6.511 13.058 ( 0.848 -0.000 -4.151) 4.237 13.058 ( -0.848 0.000 4.151) 4.237 13.314 ( 2.832 -0.000 -2.738) 3.939 13.314 ( -2.832 0.000 2.738) 3.939 13.528 ( -2.762 0.000 0.441) 2.797 13.528 ( 2.762 -0.000 -0.441) 2.797 13.841 ( -0.438 0.000 -4.185) 4.207 13.841 ( 0.438 -0.000 4.185) 4.207 13.980 ( 11.230 -0.000 -4.362) 12.048 13.980 ( -11.230 0.000 4.362) 12.048 ======================= Grid point 151 (74/88) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 0.640 -13.828 -16.260) 21.354 1.298 ( 0.883 -7.848 -16.232) 18.051 1.463 ( -1.697 -3.664 8.601) 9.502 1.571 ( 6.772 -8.330 14.706) 18.208 1.835 ( -3.691 4.602 -2.669) 6.475 1.939 ( -2.040 3.183 -3.901) 5.432 1.995 ( 4.160 -0.129 1.656) 4.479 2.091 ( 6.982 4.018 0.180) 8.057 2.220 ( 5.135 -3.115 -6.019) 8.503 2.251 ( -2.841 2.395 8.445) 9.226 2.401 ( -2.715 -3.237 -9.319) 10.232 2.460 ( -2.488 0.566 -0.276) 2.567 2.508 ( 3.929 -0.941 -1.931) 4.478 2.653 ( 1.840 3.171 -6.412) 7.386 2.693 ( -2.563 3.250 1.983) 4.590 2.754 ( 2.439 -1.863 1.949) 3.636 2.778 ( 0.909 1.087 6.233) 6.392 2.834 ( -3.142 -2.581 1.622) 4.378 2.911 ( -2.084 1.790 3.978) 4.835 3.000 ( 4.147 -1.309 5.528) 7.034 3.080 ( -6.916 -0.623 1.432) 7.090 3.149 ( 0.911 3.537 -2.527) 4.442 3.199 ( 0.568 -0.876 0.984) 1.435 3.272 ( 2.454 1.168 1.676) 3.193 3.372 ( -1.929 -2.922 -4.014) 5.326 3.459 ( 0.758 -3.759 0.895) 3.937 3.508 ( -5.135 -5.207 1.688) 7.505 3.573 ( 2.430 2.066 -2.840) 4.271 3.596 ( 4.475 1.046 0.519) 4.625 3.619 ( 0.614 -0.627 2.600) 2.744 3.677 ( -0.041 -2.281 -0.265) 2.297 3.726 ( 2.082 -3.325 1.361) 4.153 3.807 ( -2.953 -2.272 0.865) 3.826 3.898 ( 4.186 4.841 1.477) 6.568 3.976 ( -7.706 4.799 -0.552) 9.095 4.047 ( 3.113 2.197 -3.034) 4.871 4.100 ( -3.466 -1.722 -0.062) 3.871 4.126 ( -5.359 -0.837 -0.356) 5.436 4.187 ( 6.649 -3.169 -2.521) 7.785 4.286 ( 7.152 3.619 2.671) 8.449 4.388 ( -2.587 1.519 0.214) 3.008 4.431 ( 1.066 1.031 0.517) 1.571 4.555 ( -0.283 4.299 -0.747) 4.372 4.582 ( -0.866 5.498 2.249) 6.004 4.674 ( -4.747 -1.395 -5.130) 7.127 4.715 ( -3.328 -2.968 0.513) 4.489 4.779 ( -2.762 -0.802 0.551) 2.928 4.795 ( 3.350 -1.591 -1.368) 3.953 4.842 ( -0.944 0.735 -1.244) 1.726 4.868 ( 2.410 4.767 0.999) 5.435 4.952 ( -1.342 -0.449 -2.553) 2.919 5.039 ( 3.655 -0.915 1.002) 3.899 5.091 ( -5.028 -1.137 -0.301) 5.164 5.197 ( 2.030 -2.748 1.995) 3.956 5.294 ( -4.353 -2.885 0.947) 5.307 5.351 ( 4.903 -0.117 -2.047) 5.314 5.494 ( 0.174 2.817 -0.310) 2.839 5.504 ( 2.195 1.990 -1.458) 3.302 5.583 ( -2.879 -0.017 0.450) 2.914 5.605 ( -4.760 0.828 0.451) 4.853 5.653 ( 6.650 -0.564 -0.548) 6.696 5.720 ( 1.648 1.107 3.681) 4.182 5.868 ( -2.413 0.142 -2.471) 3.457 5.943 ( 2.758 3.709 1.812) 4.965 6.050 ( -2.147 8.420 -4.961) 10.006 6.133 ( 1.942 5.889 -1.280) 6.332 6.187 ( -4.196 1.507 -0.304) 4.469 6.207 ( -4.067 4.248 1.225) 6.007 6.280 ( 2.833 0.044 -3.612) 4.591 6.384 ( 2.271 0.867 5.396) 5.918 6.392 ( 1.043 4.619 -0.761) 4.796 6.429 ( 0.369 6.621 2.405) 7.053 6.643 ( 1.923 -8.315 -2.121) 8.794 6.667 ( -0.027 -8.359 1.996) 8.593 6.852 ( -0.740 -6.484 -0.354) 6.535 6.860 ( -2.271 -5.321 1.656) 6.018 7.175 ( -1.851 -1.947 0.285) 2.702 7.212 ( 3.512 -2.021 0.090) 4.053 8.917 ( 0.261 -0.152 -0.566) 0.641 8.929 ( -0.439 -0.667 1.668) 1.849 9.098 ( 0.051 0.538 -0.820) 0.983 9.101 ( -0.358 0.355 0.044) 0.506 10.581 ( 0.941 -0.856 -1.174) 1.731 10.606 ( 1.529 -0.674 1.578) 2.298 10.726 ( -0.188 0.047 -1.905) 1.915 10.774 ( 1.798 -0.655 2.495) 3.144 11.023 ( -0.276 0.756 -4.781) 4.848 11.102 ( -0.481 1.775 4.179) 4.565 11.183 ( -1.004 -1.237 -2.574) 3.027 11.247 ( 0.720 -2.414 2.688) 3.683 11.487 ( -2.201 0.835 -1.447) 2.763 11.503 ( -1.347 0.120 0.006) 1.352 11.922 ( -6.891 0.049 -2.427) 7.306 12.048 ( 2.610 3.540 -0.090) 4.399 12.148 ( -2.318 -1.313 2.300) 3.520 12.237 ( 7.333 -3.532 0.022) 8.139 12.891 ( 0.539 -0.822 0.738) 1.229 12.903 ( 1.806 -1.590 1.006) 2.608 13.009 ( -1.617 2.158 -3.137) 4.137 13.073 ( -1.401 0.767 4.340) 4.624 13.297 ( -6.475 0.531 4.310) 7.796 13.322 ( 0.070 -1.162 -0.218) 1.185 13.484 ( -0.444 3.697 -1.397) 3.977 13.548 ( 4.707 0.387 -2.456) 5.323 13.673 ( -9.136 9.066 -4.635) 13.680 13.858 ( 3.920 1.086 2.800) 4.938 14.030 ( -3.880 -8.537 2.464) 9.695 14.075 ( 8.340 -3.075 -3.574) 9.580 ======================= Grid point 152 (75/88) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -3.531 -15.005 -13.355) 20.396 1.450 ( 8.732 -14.029 -5.628) 17.457 1.541 ( -2.624 -4.967 1.522) 5.820 1.679 ( 1.253 7.045 -2.873) 7.711 1.731 ( -1.309 3.879 0.319) 4.106 1.931 ( 7.911 0.710 -0.230) 7.946 2.052 ( 2.727 1.300 7.698) 8.269 2.131 ( 4.814 -6.782 -0.462) 8.330 2.267 ( -0.054 0.208 5.085) 5.090 2.324 ( 2.841 2.112 0.329) 3.555 2.375 ( -2.877 -5.934 -2.310) 6.987 2.457 ( 0.213 -3.863 0.142) 3.872 2.492 ( -0.285 0.872 -3.971) 4.076 2.550 ( 1.452 2.434 -6.174) 6.793 2.675 ( -0.617 0.126 3.718) 3.771 2.719 ( 1.194 0.571 -5.414) 5.574 2.804 ( -7.253 -0.213 3.275) 7.960 2.843 ( 0.817 0.810 6.384) 6.487 2.949 ( 3.724 0.006 0.831) 3.815 3.033 ( 0.196 3.311 -0.088) 3.318 3.067 ( -2.550 0.518 -0.826) 2.730 3.168 ( 0.905 -5.801 6.167) 8.515 3.267 ( -2.943 -1.362 1.629) 3.629 3.272 ( 6.296 2.484 0.035) 6.769 3.343 ( 0.042 -2.131 -2.809) 3.526 3.440 ( -4.312 2.163 -1.545) 5.065 3.525 ( 2.298 4.596 -1.405) 5.327 3.579 ( -1.675 -1.906 -1.499) 2.947 3.626 ( -2.065 -3.854 2.700) 5.138 3.679 ( 1.782 -3.894 0.933) 4.383 3.742 ( 3.436 -0.700 -2.223) 4.152 3.786 ( 1.588 -1.620 -0.948) 2.459 3.810 ( -1.564 1.321 -0.520) 2.113 3.869 ( 3.061 1.438 -0.169) 3.386 3.923 ( -1.815 -3.015 5.918) 6.885 3.995 ( -1.198 0.220 -2.032) 2.369 4.083 ( -3.162 1.503 0.257) 3.511 4.135 ( -2.998 0.707 -1.296) 3.342 4.139 ( -1.359 4.155 0.112) 4.373 4.301 ( 0.703 1.187 0.112) 1.384 4.371 ( -0.282 1.231 4.638) 4.807 4.419 ( 2.515 2.602 0.013) 3.619 4.497 ( 0.184 3.573 -1.017) 3.719 4.557 ( 3.588 2.110 4.499) 6.129 4.618 ( -2.012 -2.468 -5.280) 6.166 4.725 ( 1.014 1.899 -2.396) 3.221 4.747 ( -4.331 -1.440 1.224) 4.726 4.810 ( -1.289 1.921 -0.401) 2.348 4.823 ( 2.480 0.242 0.538) 2.549 4.860 ( -0.097 -1.176 0.156) 1.190 4.943 ( -0.422 -1.120 -1.436) 1.870 5.041 ( -1.560 2.582 1.031) 3.188 5.079 ( 1.139 0.454 -1.249) 1.750 5.233 ( -2.667 -1.702 -2.236) 3.874 5.285 ( -5.154 -1.193 -5.855) 7.892 5.345 ( 2.147 1.424 -0.584) 2.642 5.411 ( 0.745 4.312 -2.567) 5.073 5.505 ( -2.146 -0.362 3.132) 3.814 5.569 ( -3.688 1.245 1.153) 4.059 5.600 ( 2.418 -1.187 1.519) 3.093 5.712 ( 6.032 0.402 0.885) 6.110 5.746 ( 1.496 0.115 2.504) 2.919 5.849 ( 0.211 -0.931 -1.020) 1.397 5.864 ( -0.077 3.956 -2.645) 4.759 5.964 ( 2.983 3.238 0.419) 4.422 6.052 ( 0.970 6.356 0.072) 6.430 6.086 ( -3.236 3.102 -0.360) 4.497 6.159 ( -3.413 0.792 -0.467) 3.535 6.238 ( 3.018 7.666 0.238) 8.242 6.295 ( 0.465 3.000 -4.041) 5.054 6.395 ( 0.037 1.849 2.734) 3.301 6.426 ( -0.374 0.501 2.765) 2.835 6.740 ( -0.647 -5.140 -1.284) 5.337 6.794 ( 0.223 -7.139 -0.107) 7.144 6.918 ( -2.891 -3.563 1.745) 4.909 6.942 ( 1.141 -4.900 -0.880) 5.108 7.209 ( -2.351 -3.818 1.547) 4.743 7.286 ( 4.469 -2.309 0.608) 5.067 8.918 ( 0.052 -0.176 -0.279) 0.334 8.955 ( -0.283 -1.102 2.133) 2.417 9.079 ( 0.093 0.894 -1.426) 1.686 9.092 ( -0.420 0.441 0.027) 0.610 10.600 ( 1.083 -1.268 -0.328) 1.699 10.644 ( 2.027 -0.496 1.437) 2.533 10.707 ( 0.034 0.019 -2.431) 2.431 10.825 ( 2.032 -1.081 2.698) 3.546 10.981 ( -0.210 0.638 -2.612) 2.697 11.080 ( -1.000 2.642 1.071) 3.021 11.171 ( -1.499 -0.796 -1.969) 2.599 11.280 ( -1.466 -0.398 -1.084) 1.866 11.455 ( -1.758 -0.996 -0.541) 2.091 11.495 ( -0.941 0.277 1.039) 1.428 11.893 ( -2.546 -1.715 -0.011) 3.070 12.004 ( 1.292 3.088 -0.888) 3.464 12.183 ( -2.933 -3.008 4.119) 5.884 12.321 ( 6.581 -0.361 -1.870) 6.851 12.904 ( -1.500 -0.110 -1.083) 1.853 12.949 ( -0.981 -0.400 -0.111) 1.065 12.966 ( 1.897 -1.447 2.846) 3.713 13.076 ( -1.061 1.376 2.859) 3.345 13.265 ( -4.489 2.195 3.643) 6.184 13.343 ( 0.200 -1.260 0.114) 1.281 13.391 ( 0.258 7.022 -3.870) 8.022 13.447 ( -9.267 0.974 -5.569) 10.855 13.546 ( 2.727 2.288 -1.414) 3.830 13.919 ( 3.255 -1.291 3.599) 5.022 14.136 ( 5.440 -1.286 -3.358) 6.521 14.149 ( -0.806 -6.361 2.673) 6.947 ======================= Grid point 153 (76/88) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( -5.130 -7.804 -5.060) 10.622 1.528 ( 2.204 2.818 1.250) 3.789 1.593 ( 2.106 -0.642 -3.448) 4.091 1.705 ( 5.244 -4.108 -3.337) 7.450 1.747 ( 4.152 -11.420 -0.610) 12.167 1.873 ( -0.413 11.307 3.678) 11.898 2.026 ( -3.490 7.934 3.879) 9.496 2.233 ( 0.554 -2.323 -2.498) 3.455 2.253 ( -0.191 -1.381 -2.222) 2.623 2.372 ( -1.206 -0.264 1.894) 2.261 2.427 ( 1.403 -4.985 5.164) 7.313 2.449 ( -0.054 -0.629 -1.661) 1.777 2.506 ( 1.160 -0.430 0.021) 1.237 2.584 ( -1.895 1.701 1.033) 2.748 2.694 ( 0.827 -0.139 0.372) 0.918 2.770 ( 7.853 -13.100 -8.844) 17.649 2.807 ( -2.181 -1.482 4.962) 5.620 2.891 ( 2.285 1.213 3.149) 4.075 2.928 ( -2.534 2.585 -0.424) 3.644 3.026 ( 2.962 -0.084 2.526) 3.894 3.065 ( -1.505 -1.052 -1.122) 2.151 3.186 ( 0.009 5.008 2.042) 5.409 3.226 ( -2.952 1.154 -2.521) 4.050 3.293 ( -0.276 1.836 -1.327) 2.282 3.323 ( -0.027 -0.370 -2.367) 2.396 3.438 ( -0.393 -2.140 3.171) 3.846 3.472 ( 2.401 2.304 -1.875) 3.820 3.585 ( -0.426 -1.606 -0.098) 1.665 3.624 ( -2.280 2.446 0.221) 3.351 3.689 ( -0.111 0.649 -0.674) 0.942 3.760 ( -0.298 -1.756 1.414) 2.274 3.799 ( -1.099 2.676 -0.541) 2.943 3.806 ( -0.369 0.454 1.578) 1.683 3.875 ( 1.735 1.749 -3.122) 3.977 3.908 ( -0.302 0.437 -1.545) 1.634 3.945 ( -2.664 0.256 0.104) 2.678 4.079 ( -1.325 -4.269 0.280) 4.478 4.093 ( -1.465 0.547 1.878) 2.444 4.197 ( 0.340 -3.922 0.587) 3.980 4.281 ( 1.876 1.924 0.466) 2.727 4.377 ( -0.863 2.342 0.922) 2.660 4.427 ( 0.875 -0.903 4.917) 5.075 4.473 ( 3.758 0.643 -0.502) 3.845 4.552 ( -0.106 2.108 -0.471) 2.163 4.666 ( 1.257 -2.685 0.060) 2.966 4.676 ( 2.018 1.829 -2.024) 3.393 4.753 ( -3.055 0.941 -1.421) 3.498 4.756 ( -0.267 0.774 2.391) 2.527 4.837 ( 2.517 0.900 0.118) 2.676 4.856 ( -3.574 -1.503 -2.339) 4.528 4.975 ( -3.340 1.698 2.572) 4.545 4.990 ( 2.697 -1.245 0.150) 2.974 5.064 ( 1.241 0.613 -1.665) 2.166 5.181 ( -3.894 1.566 -3.769) 5.641 5.190 ( -2.195 0.894 -2.883) 3.733 5.340 ( 1.532 0.939 -0.462) 1.855 5.378 ( -0.366 -0.091 -0.158) 0.409 5.520 ( -2.081 0.896 2.615) 3.460 5.539 ( 0.012 -0.953 -0.925) 1.328 5.642 ( 1.055 -0.691 0.722) 1.453 5.738 ( 1.974 1.025 0.744) 2.346 5.761 ( 0.317 0.768 0.593) 1.020 5.834 ( -0.179 -0.801 -0.484) 0.953 5.883 ( 2.594 -1.368 -0.787) 3.036 5.957 ( 1.452 1.043 0.532) 1.865 5.993 ( 0.899 2.086 0.419) 2.310 6.049 ( -1.892 -0.443 0.553) 2.020 6.102 ( -1.316 3.499 -0.373) 3.757 6.159 ( 0.691 3.391 0.507) 3.498 6.247 ( 0.375 0.830 -2.461) 2.624 6.394 ( -0.303 0.626 1.594) 1.739 6.423 ( -0.738 0.127 0.018) 0.749 6.774 ( -0.884 -1.679 -0.473) 1.956 6.869 ( 0.219 -2.727 -0.299) 2.752 6.943 ( -0.766 -0.959 0.303) 1.264 6.994 ( 0.528 -1.664 -0.186) 1.755 7.257 ( -1.285 -2.459 1.050) 2.967 7.339 ( 2.127 -0.390 0.282) 2.181 8.919 ( 0.015 -0.086 -0.089) 0.125 8.983 ( -0.162 -0.772 1.475) 1.673 9.055 ( 0.103 0.674 -1.178) 1.361 9.084 ( -0.190 0.205 0.011) 0.279 10.628 ( 0.805 -1.181 0.400) 1.484 10.660 ( 0.173 0.803 0.189) 0.842 10.697 ( 0.519 -0.453 -1.110) 1.307 10.869 ( 1.014 -0.651 1.224) 1.718 10.961 ( -0.082 0.222 -0.754) 0.791 11.042 ( -0.653 1.288 -0.180) 1.456 11.154 ( -0.969 0.059 -0.595) 1.139 11.253 ( -1.011 -0.138 -1.640) 1.932 11.465 ( 0.008 -0.796 -0.005) 0.796 11.489 ( -0.670 0.566 0.750) 1.154 11.896 ( -0.692 0.017 0.293) 0.752 11.982 ( 0.743 0.577 -0.222) 0.967 12.248 ( -3.285 -4.006 4.440) 6.823 12.325 ( 4.537 2.606 -3.447) 6.265 12.872 ( -2.036 0.191 -0.418) 2.087 12.963 ( 0.005 -0.548 0.786) 0.958 13.027 ( 1.648 -0.639 1.317) 2.204 13.067 ( 1.117 -0.487 -0.701) 1.406 13.184 ( -3.952 4.400 1.030) 6.003 13.321 ( -3.375 -2.346 0.485) 4.139 13.354 ( 4.616 3.407 -1.801) 6.013 13.381 ( -3.421 -1.423 -1.333) 3.938 13.524 ( 0.509 0.904 -0.671) 1.236 13.981 ( 1.009 -0.990 1.928) 2.391 14.156 ( 1.997 -0.081 -1.456) 2.473 14.227 ( 0.021 -2.186 1.100) 2.447 ======================= Grid point 158 (77/88) ======================= q-point: ( 0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 10.177 -0.000 -17.632) 20.358 1.107 ( 5.286 -0.000 -19.877) 20.568 1.484 ( 0.040 -0.000 4.048) 4.048 1.669 ( 4.309 -0.000 11.842) 12.601 1.825 ( -4.085 0.000 -1.817) 4.471 1.927 ( 3.840 -0.000 -5.608) 6.797 1.976 ( 3.085 -0.000 -12.642) 13.013 2.108 ( 4.139 -0.000 2.693) 4.938 2.249 ( 5.173 -0.000 -1.616) 5.419 2.287 ( 2.585 -0.000 1.054) 2.791 2.400 ( 1.415 -0.000 8.668) 8.783 2.502 ( -0.112 0.000 5.398) 5.399 2.526 ( 4.842 -0.000 -2.861) 5.624 2.623 ( -5.022 0.000 -2.157) 5.466 2.696 ( 4.059 -0.000 -9.235) 10.087 2.733 ( -12.778 0.000 5.400) 13.872 2.762 ( -0.870 0.000 -0.067) 0.872 2.902 ( 5.707 -0.000 4.576) 7.315 2.925 ( -8.097 0.000 10.620) 13.354 3.014 ( -5.416 0.000 -1.349) 5.581 3.049 ( 3.520 -0.000 3.646) 5.068 3.171 ( -4.563 0.000 0.331) 4.575 3.219 ( 4.004 -0.000 -0.762) 4.076 3.255 ( 0.974 -0.000 -1.187) 1.535 3.372 ( 2.263 -0.000 2.284) 3.216 3.422 ( -0.941 0.000 3.081) 3.221 3.525 ( 2.397 -0.000 3.967) 4.635 3.531 ( 1.672 -0.000 -2.752) 3.220 3.623 ( 1.203 -0.000 -1.607) 2.008 3.645 ( -1.143 0.000 -1.852) 2.176 3.707 ( 5.551 -0.000 0.310) 5.559 3.731 ( -3.616 0.000 7.700) 8.507 3.746 ( -0.741 0.000 0.235) 0.777 3.920 ( -8.522 0.000 -3.567) 9.238 4.012 ( 4.294 -0.000 -1.374) 4.508 4.055 ( 2.539 -0.000 -1.494) 2.946 4.065 ( 0.573 -0.000 -2.673) 2.734 4.081 ( -2.525 0.000 -1.409) 2.892 4.193 ( 6.397 -0.000 -0.680) 6.433 4.372 ( 0.059 -0.000 -0.584) 0.586 4.404 ( 2.113 -0.000 3.194) 3.829 4.414 ( -2.282 0.000 -2.695) 3.531 4.567 ( -4.001 0.000 -3.033) 5.020 4.603 ( -2.704 0.000 -2.358) 3.588 4.647 ( -5.517 0.000 4.989) 7.438 4.668 ( -0.449 0.000 -2.620) 2.658 4.724 ( -0.917 0.000 -1.040) 1.387 4.780 ( -2.844 0.000 2.703) 3.923 4.815 ( 1.360 -0.000 -3.462) 3.719 4.884 ( 1.736 -0.000 -4.649) 4.962 4.968 ( 0.959 -0.000 -2.373) 2.560 5.062 ( 3.341 -0.000 3.706) 4.989 5.067 ( -2.275 0.000 2.346) 3.268 5.189 ( -1.184 0.000 1.019) 1.562 5.253 ( -4.228 0.000 1.525) 4.494 5.397 ( 5.608 -0.000 -0.447) 5.626 5.498 ( -1.101 0.000 -1.983) 2.268 5.544 ( -0.759 0.000 1.259) 1.470 5.547 ( 0.849 -0.000 -3.647) 3.744 5.587 ( -1.413 0.000 0.741) 1.595 5.711 ( 5.565 -0.000 1.228) 5.699 5.757 ( 1.263 -0.000 2.681) 2.963 5.830 ( -2.664 0.000 -0.334) 2.684 6.035 ( 4.876 -0.000 2.243) 5.367 6.054 ( -3.291 0.000 -4.673) 5.716 6.149 ( 0.691 -0.000 -6.135) 6.173 6.176 ( -1.878 0.000 0.532) 1.951 6.244 ( -4.404 0.000 2.398) 5.015 6.268 ( 4.726 -0.000 -4.050) 6.224 6.395 ( -2.976 0.000 0.224) 2.985 6.453 ( -1.853 0.000 6.235) 6.504 6.542 ( 3.194 -0.000 -3.884) 5.028 6.580 ( 2.621 -0.000 2.958) 3.952 6.626 ( 1.610 -0.000 3.114) 3.506 6.762 ( -1.394 0.000 -1.719) 2.214 6.795 ( -5.062 0.000 2.096) 5.478 7.149 ( -1.405 0.000 0.003) 1.405 7.239 ( 6.072 -0.000 1.222) 6.194 8.918 ( 0.515 -0.000 -0.097) 0.524 8.932 ( -0.798 0.000 2.306) 2.441 9.094 ( -0.314 0.000 -0.996) 1.045 9.098 ( -0.343 0.000 -0.569) 0.664 10.579 ( 2.210 -0.000 -1.111) 2.473 10.631 ( 2.654 -0.000 1.419) 3.009 10.713 ( 0.236 -0.000 -2.046) 2.060 10.805 ( 2.078 -0.000 2.772) 3.464 10.991 ( 0.153 -0.000 -4.289) 4.291 11.113 ( -1.395 0.000 -0.454) 1.467 11.196 ( 1.341 -0.000 3.771) 4.002 11.247 ( 0.149 -0.000 2.495) 2.499 11.439 ( -8.537 0.000 -3.403) 9.191 11.482 ( -0.422 0.000 -1.071) 1.151 11.834 ( -4.467 0.000 -4.137) 6.088 12.042 ( -5.516 0.000 0.957) 5.598 12.231 ( 7.646 -0.000 0.491) 7.662 12.239 ( 4.720 -0.000 1.257) 4.885 12.902 ( 5.256 -0.000 -5.392) 7.530 12.914 ( -2.224 0.000 6.852) 7.204 13.009 ( 0.586 -0.000 -0.430) 0.727 13.093 ( -2.968 0.000 5.228) 6.011 13.261 ( -10.143 0.000 4.421) 11.065 13.301 ( -4.527 0.000 3.304) 5.605 13.488 ( -6.146 0.000 -5.847) 8.483 13.531 ( 3.416 -0.000 -1.684) 3.809 13.803 ( 4.948 -0.000 0.910) 5.031 13.828 ( -2.346 0.000 -2.324) 3.303 13.898 ( -2.208 0.000 -1.488) 2.663 14.117 ( 9.746 -0.000 -2.119) 9.974 ======================= Grid point 159 (78/88) ======================= q-point: ( 0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 7.941 -7.104 -15.634) 18.919 1.227 ( 16.366 -16.340 -10.907) 25.570 1.495 ( -2.044 -1.127 -1.992) 3.069 1.767 ( -0.829 1.811 0.620) 2.086 1.818 ( 4.579 4.293 3.078) 6.991 1.834 ( 6.702 -7.723 -12.984) 16.528 2.057 ( 7.542 -6.956 -2.584) 10.581 2.166 ( -4.752 -1.363 4.506) 6.689 2.216 ( 4.350 6.054 1.137) 7.541 2.360 ( 2.583 -1.412 0.483) 2.983 2.415 ( -5.261 3.334 4.919) 7.936 2.494 ( 1.505 1.140 -0.218) 1.901 2.538 ( 3.469 1.575 4.245) 5.704 2.613 ( 0.520 1.031 2.183) 2.470 2.644 ( -0.372 2.313 -2.210) 3.221 2.678 ( -3.337 2.454 -1.982) 4.592 2.742 ( -4.399 -3.193 6.412) 8.406 2.943 ( -3.916 0.714 7.424) 8.424 2.952 ( -3.857 0.593 0.378) 3.921 3.033 ( -1.851 -5.420 3.732) 6.836 3.052 ( -0.899 5.215 -1.465) 5.491 3.146 ( 3.122 -4.182 0.917) 5.299 3.266 ( 3.279 2.493 1.956) 4.560 3.282 ( 1.811 -3.281 -1.151) 3.920 3.394 ( 2.680 0.912 0.765) 2.933 3.464 ( 0.386 6.096 0.314) 6.116 3.491 ( -0.855 -3.490 1.557) 3.916 3.554 ( -0.386 -1.485 -1.686) 2.280 3.611 ( -1.037 0.692 -1.235) 1.755 3.679 ( 1.507 -0.445 0.916) 1.819 3.723 ( 4.039 -5.243 0.671) 6.653 3.753 ( -2.420 -0.059 -2.788) 3.692 3.811 ( -1.505 1.204 -0.370) 1.963 3.834 ( -3.966 -6.590 3.363) 8.394 3.944 ( -0.929 4.995 -2.111) 5.502 4.013 ( 2.043 4.472 -3.288) 5.915 4.047 ( -1.340 0.898 -2.047) 2.607 4.120 ( 2.407 -3.213 -0.772) 4.088 4.206 ( -1.661 5.086 -2.344) 5.841 4.335 ( -1.085 2.219 0.582) 2.537 4.409 ( -2.466 -0.751 1.806) 3.147 4.429 ( 4.081 -2.621 0.363) 4.864 4.497 ( -2.750 -1.374 -7.192) 7.821 4.536 ( -2.601 2.456 -1.382) 3.835 4.638 ( 1.250 0.532 1.747) 2.213 4.682 ( -2.822 -3.029 1.068) 4.276 4.740 ( -3.534 1.414 -3.030) 4.866 4.749 ( -0.836 -0.313 3.542) 3.653 4.834 ( -0.054 -0.330 1.194) 1.240 4.878 ( 2.335 -1.242 -0.389) 2.673 4.956 ( 2.900 0.836 -1.507) 3.373 5.059 ( -2.012 1.377 2.018) 3.166 5.107 ( 0.981 0.265 0.507) 1.135 5.186 ( 0.032 0.103 -2.797) 2.799 5.220 ( -3.963 0.960 1.456) 4.330 5.385 ( -0.652 3.777 0.268) 3.842 5.474 ( -4.207 -1.129 -0.169) 4.359 5.501 ( 5.315 3.198 -1.673) 6.424 5.555 ( -3.210 -0.910 0.746) 3.419 5.616 ( 4.483 -0.825 -0.579) 4.595 5.737 ( -1.245 -1.310 1.166) 2.151 5.800 ( 4.407 1.826 2.319) 5.304 5.839 ( 2.667 -1.183 1.085) 3.113 5.942 ( -0.625 7.260 -2.430) 7.681 6.049 ( 3.181 3.443 -0.322) 4.699 6.080 ( 0.720 2.678 -5.648) 6.292 6.151 ( -0.999 2.192 0.251) 2.422 6.166 ( -2.684 6.391 2.775) 7.466 6.290 ( 4.145 -0.255 -3.382) 5.355 6.364 ( -3.015 2.929 0.412) 4.224 6.449 ( -0.482 7.698 -0.297) 7.719 6.461 ( -1.413 1.721 2.466) 3.322 6.644 ( -1.153 -5.697 -1.275) 5.951 6.685 ( -0.766 -5.988 0.990) 6.118 6.830 ( -2.217 -6.734 1.280) 7.204 6.839 ( -0.793 -7.650 -0.278) 7.696 7.156 ( -1.412 -2.222 0.976) 2.808 7.316 ( 6.126 -0.794 1.919) 6.469 8.921 ( 0.341 0.253 0.461) 0.627 8.954 ( -0.539 -0.918 2.567) 2.779 9.077 ( -0.359 0.563 -1.515) 1.656 9.089 ( -0.377 0.067 -0.705) 0.802 10.598 ( 2.517 -0.621 -0.421) 2.626 10.665 ( 2.581 -0.492 0.408) 2.658 10.694 ( 0.133 0.445 -2.433) 2.477 10.840 ( 0.604 -0.590 1.576) 1.788 10.965 ( 0.319 0.037 -2.695) 2.714 11.093 ( -1.289 1.684 -0.520) 2.183 11.191 ( 0.609 3.023 1.294) 3.344 11.263 ( -1.191 0.733 -0.636) 1.536 11.393 ( -4.245 -5.486 0.666) 6.969 11.485 ( -0.351 -1.023 0.357) 1.139 11.812 ( -1.590 -3.423 -2.597) 4.581 12.000 ( -4.929 0.210 -0.121) 4.935 12.225 ( 3.495 3.416 2.287) 5.396 12.337 ( 5.339 -2.431 -1.385) 6.027 12.882 ( 1.080 0.471 -4.816) 4.958 12.958 ( -1.097 -0.298 5.792) 5.903 13.015 ( 2.581 1.823 3.556) 4.757 13.106 ( -3.339 0.997 5.413) 6.437 13.236 ( -7.141 -3.016 2.736) 8.220 13.296 ( -5.596 -2.254 1.585) 6.237 13.360 ( -6.977 3.763 -4.338) 9.037 13.509 ( 4.242 4.889 -2.867) 7.079 13.621 ( 1.683 8.689 -3.171) 9.401 13.906 ( -0.836 -3.215 -1.549) 3.665 14.029 ( 1.875 -10.543 2.786) 11.065 14.171 ( 7.279 0.264 -2.038) 7.563 ======================= Grid point 160 (79/88) ======================= q-point: ( 0.43 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 3.852 -12.887 -8.389) 15.852 1.471 ( 6.491 -10.067 -12.909) 17.610 1.484 ( 3.670 -4.664 -8.450) 10.326 1.723 ( -3.631 4.561 4.330) 7.262 1.775 ( 8.847 1.439 3.405) 9.588 2.031 ( -6.277 5.565 2.021) 8.629 2.099 ( 3.533 -8.052 -2.289) 9.086 2.179 ( 4.421 2.984 4.204) 6.791 2.196 ( 2.655 -4.367 -1.475) 5.320 2.337 ( -0.019 -0.232 -5.857) 5.861 2.424 ( -2.718 -2.141 6.539) 7.398 2.523 ( 3.455 3.473 -1.768) 5.208 2.542 ( 6.029 0.490 3.544) 7.011 2.611 ( -3.670 0.593 3.939) 5.417 2.646 ( 4.710 -0.811 0.941) 4.871 2.689 ( 2.670 -3.036 -0.852) 4.132 2.794 ( -5.042 -0.366 6.950) 8.594 2.870 ( -8.489 0.104 0.772) 8.525 2.957 ( -1.056 1.685 -0.568) 2.068 2.995 ( -1.752 -3.336 2.574) 4.563 3.126 ( 3.435 1.498 3.012) 4.808 3.204 ( 1.026 -0.402 -1.153) 1.595 3.215 ( -1.326 3.733 -3.793) 5.484 3.320 ( 3.417 0.698 -1.429) 3.769 3.388 ( 2.792 4.195 2.437) 5.598 3.433 ( 0.439 -1.423 1.415) 2.054 3.491 ( -2.118 0.215 -2.024) 2.937 3.552 ( 1.501 -1.103 -0.740) 2.004 3.606 ( -3.911 -1.438 0.796) 4.242 3.691 ( -0.167 0.081 -1.380) 1.392 3.755 ( -0.210 1.354 -2.375) 2.742 3.770 ( 1.156 -3.459 1.410) 3.910 3.820 ( 0.998 -0.918 -1.528) 2.043 3.853 ( -8.078 1.958 -3.412) 8.985 3.916 ( 1.036 -2.224 1.969) 3.146 3.973 ( -6.346 -0.675 -1.940) 6.670 4.010 ( 6.704 1.179 2.511) 7.255 4.070 ( -1.325 1.583 -0.077) 2.066 4.163 ( -0.219 -1.214 -0.259) 1.260 4.311 ( 0.851 0.514 -2.277) 2.484 4.395 ( -3.310 2.419 0.632) 4.148 4.444 ( -2.581 0.021 -1.892) 3.200 4.493 ( -3.628 -2.482 -4.079) 5.996 4.520 ( 4.480 -1.866 -2.281) 5.362 4.618 ( -5.756 0.678 -2.697) 6.392 4.676 ( -1.825 -0.392 0.392) 1.907 4.704 ( 4.634 0.574 -1.148) 4.808 4.798 ( -0.928 -1.312 4.626) 4.897 4.830 ( 0.847 1.100 -1.091) 1.766 4.930 ( 3.406 4.179 1.357) 5.559 4.954 ( -0.014 -2.514 4.341) 5.017 5.020 ( -3.026 2.718 -1.109) 4.216 5.057 ( -1.370 0.432 -2.114) 2.556 5.173 ( 3.843 1.741 0.219) 4.225 5.209 ( -0.736 1.807 6.199) 6.498 5.348 ( -2.209 0.408 2.753) 3.554 5.459 ( 1.700 0.234 -3.179) 3.613 5.501 ( 4.533 0.457 -1.925) 4.946 5.539 ( -2.210 2.191 3.233) 4.487 5.643 ( 1.930 -0.452 -1.773) 2.660 5.768 ( -1.372 -2.226 1.271) 2.907 5.802 ( 1.329 2.833 1.796) 3.608 5.834 ( 0.575 4.277 -1.450) 4.553 5.888 ( 3.941 -0.165 -0.665) 4.000 5.995 ( -1.446 1.611 -5.021) 5.468 6.017 ( 2.614 3.179 -2.544) 4.839 6.067 ( -0.898 5.128 1.623) 5.453 6.126 ( -1.352 3.114 2.256) 4.076 6.246 ( -1.653 6.492 -0.907) 6.761 6.296 ( 2.732 2.561 -0.146) 3.747 6.358 ( -3.305 0.715 -2.021) 3.939 6.441 ( -0.701 1.146 0.814) 1.570 6.714 ( -0.960 -5.414 0.509) 5.522 6.798 ( 0.974 -6.976 -0.234) 7.047 6.906 ( -0.315 -3.944 -0.015) 3.957 6.931 ( -1.926 -5.672 0.033) 5.990 7.205 ( -0.973 -3.806 1.704) 4.282 7.364 ( 2.296 0.417 0.043) 2.334 8.924 ( 0.372 0.311 0.721) 0.869 8.983 ( -0.425 -0.766 2.099) 2.275 9.053 ( -0.328 0.491 -1.483) 1.596 9.081 ( -0.193 -0.043 -0.740) 0.766 10.628 ( 2.075 -0.725 0.376) 2.229 10.668 ( -0.016 0.721 -2.010) 2.136 10.690 ( 1.206 -0.681 -0.221) 1.403 10.854 ( -1.181 -1.171 -0.839) 1.862 10.954 ( 0.373 -0.231 -1.123) 1.206 11.035 ( -2.260 1.113 -2.170) 3.325 11.183 ( 2.212 1.333 1.416) 2.945 11.257 ( 2.015 0.627 1.990) 2.900 11.450 ( -0.449 -2.283 1.475) 2.755 11.496 ( -1.092 0.178 1.133) 1.584 11.846 ( -2.326 -4.133 -1.197) 4.891 11.957 ( -3.158 -0.454 -2.377) 3.979 12.236 ( 0.053 0.356 4.283) 4.298 12.363 ( 3.984 1.149 -4.016) 5.772 12.859 ( 0.593 -0.260 -1.040) 1.225 12.982 ( -0.502 0.850 3.628) 3.760 13.052 ( 1.083 0.081 2.715) 2.924 13.082 ( -0.830 2.097 1.122) 2.519 13.205 ( -4.279 2.809 -3.860) 6.411 13.270 ( -2.838 -2.067 4.378) 5.612 13.329 ( -2.935 -2.202 2.629) 4.513 13.449 ( 4.675 4.698 -0.775) 6.673 13.538 ( 0.899 2.064 -2.850) 3.632 13.934 ( -2.990 -3.803 -2.254) 5.337 14.159 ( 1.496 -2.579 0.275) 2.995 14.207 ( 2.926 -1.106 0.468) 3.163 ======================= Grid point 161 (80/88) ======================= q-point: ( 0.57 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( -3.593 -12.365 -1.819) 13.004 1.497 ( 0.191 -4.548 -7.973) 9.181 1.558 ( 7.725 -5.753 -8.502) 12.848 1.685 ( -4.826 -3.536 -0.082) 5.983 1.836 ( -3.224 11.704 5.734) 13.426 1.900 ( 8.062 -0.500 1.908) 8.299 2.054 ( -3.022 10.489 7.705) 13.361 2.263 ( 3.181 -1.616 -4.105) 5.438 2.271 ( 0.869 -1.192 3.897) 4.167 2.327 ( 1.388 -1.971 -2.165) 3.240 2.476 ( -2.762 0.063 -1.764) 3.278 2.516 ( 5.104 3.140 -2.253) 6.402 2.532 ( -0.659 5.675 2.695) 6.316 2.590 ( 2.664 1.642 1.555) 3.494 2.673 ( -4.335 0.454 0.162) 4.361 2.734 ( -6.146 -1.042 -1.214) 6.351 2.791 ( 3.739 -7.486 -2.665) 8.782 2.920 ( -0.804 -3.001 6.563) 7.261 2.963 ( -1.083 -2.656 1.554) 3.262 3.018 ( -1.766 6.968 2.413) 7.583 3.090 ( -0.671 2.958 -8.352) 8.886 3.117 ( 0.778 0.559 2.642) 2.811 3.247 ( 2.351 -4.538 4.755) 6.981 3.283 ( 2.552 4.134 -2.480) 5.455 3.409 ( 2.536 1.258 4.860) 5.625 3.437 ( -1.305 2.218 -1.530) 2.994 3.470 ( -0.509 0.763 0.621) 1.108 3.572 ( -1.473 -0.391 -2.988) 3.354 3.607 ( 1.952 -2.613 1.890) 3.770 3.693 ( -0.861 -0.625 0.095) 1.068 3.701 ( 0.444 -3.262 -2.908) 4.393 3.789 ( 1.413 -2.330 -0.918) 2.875 3.797 ( -0.972 1.588 -2.541) 3.150 3.851 ( -2.602 -2.084 2.841) 4.380 3.940 ( 0.448 1.493 3.491) 3.824 3.983 ( -1.570 -2.798 1.620) 3.594 4.061 ( 2.032 1.473 -3.546) 4.344 4.065 ( 0.132 -1.864 -0.378) 1.907 4.187 ( -0.706 -3.380 -0.973) 3.588 4.294 ( 2.514 1.577 -2.917) 4.161 4.329 ( -3.034 0.497 -0.952) 3.219 4.385 ( -3.481 0.626 -6.947) 7.795 4.457 ( -1.323 -0.427 0.749) 1.579 4.527 ( -1.513 1.743 -0.812) 2.446 4.576 ( -8.772 -5.998 -3.553) 11.205 4.639 ( -2.293 0.569 -2.067) 3.140 4.755 ( 6.606 0.818 1.272) 6.777 4.793 ( 2.362 -0.366 -2.439) 3.415 4.840 ( -2.586 1.034 3.399) 4.394 4.898 ( -0.013 0.266 1.217) 1.246 4.960 ( 0.638 1.397 -0.425) 1.594 4.983 ( -0.299 1.187 -1.912) 2.271 5.116 ( 1.109 -1.399 8.989) 9.164 5.204 ( 3.813 1.025 3.615) 5.353 5.244 ( 3.385 -0.517 4.485) 5.643 5.362 ( 0.444 1.064 4.506) 4.651 5.468 ( 6.155 1.215 -1.118) 6.373 5.480 ( -0.718 0.909 -2.254) 2.535 5.543 ( 0.364 -0.348 1.731) 1.802 5.635 ( -0.294 0.369 -2.212) 2.261 5.745 ( -0.313 4.048 -1.622) 4.372 5.758 ( -1.881 2.773 -0.284) 3.363 5.830 ( -0.011 -2.314 -0.306) 2.334 5.888 ( 0.949 1.185 -0.837) 1.733 5.928 ( -4.521 -0.979 -4.448) 6.417 5.967 ( 0.389 2.469 -2.580) 3.593 6.043 ( -0.427 -1.047 1.710) 2.050 6.077 ( -0.461 2.855 1.261) 3.155 6.171 ( 1.070 2.342 0.384) 2.604 6.291 ( 0.110 1.642 4.702) 4.982 6.333 ( -0.946 -2.267 -4.607) 5.221 6.428 ( -0.209 0.278 -1.181) 1.232 6.785 ( 1.118 -2.466 1.705) 3.200 6.874 ( 0.639 -2.292 -0.392) 2.412 6.945 ( 1.033 -1.413 -0.487) 1.817 6.975 ( -2.562 -2.587 0.342) 3.656 7.259 ( -0.015 -2.030 0.918) 2.228 7.346 ( -0.587 1.773 -1.393) 2.330 8.928 ( 0.354 0.467 0.903) 1.076 8.985 ( -0.231 0.784 -0.994) 1.287 9.050 ( -0.430 -0.863 1.007) 1.394 9.078 ( 0.158 -0.399 -0.786) 0.895 10.638 ( -0.057 0.960 -0.525) 1.095 10.650 ( 0.317 0.103 -1.011) 1.065 10.708 ( 0.515 -0.393 1.552) 1.682 10.841 ( -2.033 -0.494 -2.571) 3.314 10.960 ( 0.459 -0.632 0.176) 0.800 11.011 ( -1.074 -1.382 -1.381) 2.230 11.207 ( 4.421 1.204 2.626) 5.281 11.292 ( 2.264 0.635 3.412) 4.144 11.471 ( -0.777 -0.290 0.575) 1.010 11.489 ( 0.364 0.495 0.160) 0.635 11.864 ( -2.595 -2.390 -0.204) 3.534 11.933 ( -2.058 -2.222 -3.770) 4.836 12.270 ( -2.113 -0.998 3.743) 4.413 12.319 ( 2.579 3.165 -4.394) 5.998 12.887 ( 3.046 -1.169 0.849) 3.372 12.983 ( -0.556 1.323 1.796) 2.299 13.029 ( -0.996 1.497 -0.031) 1.799 13.075 ( -2.531 1.575 0.112) 2.984 13.161 ( 4.034 -1.122 -1.848) 4.577 13.296 ( -4.155 -1.010 1.759) 4.623 13.351 ( 0.023 -0.847 2.511) 2.651 13.463 ( 5.107 1.046 3.146) 6.088 13.517 ( 1.268 0.012 -0.312) 1.306 13.918 ( -5.362 -1.953 -4.529) 7.286 14.172 ( 1.844 1.078 -0.477) 2.189 14.234 ( -1.012 -0.062 0.387) 1.085 ======================= Grid point 162 (81/88) ======================= q-point: (-0.29 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -2.566 -7.531 0.948) 8.013 1.520 ( -3.677 -5.372 -6.270) 9.039 1.612 ( 2.527 1.480 5.424) 6.164 1.694 ( 1.487 -2.179 -1.850) 3.222 1.795 ( 4.316 4.341 3.438) 7.020 1.863 ( -0.077 8.447 7.290) 11.158 1.980 ( -4.616 3.878 1.715) 6.268 2.156 ( -2.325 6.393 -15.853) 17.251 2.276 ( 0.340 4.737 2.902) 5.565 2.319 ( 1.160 4.469 -1.321) 4.802 2.426 ( 3.660 -5.216 1.664) 6.585 2.512 ( 0.917 -0.716 0.178) 1.177 2.523 ( 1.399 2.797 -0.592) 3.183 2.564 ( -3.668 -1.257 -3.777) 5.413 2.679 ( -1.783 -2.685 3.194) 4.537 2.722 ( -2.822 -3.832 -2.515) 5.382 2.832 ( -2.106 12.987 12.865) 18.401 2.875 ( 4.296 1.807 2.148) 5.131 2.929 ( -3.477 1.519 -0.049) 3.795 3.016 ( 4.094 -0.738 -1.251) 4.344 3.048 ( -1.971 -1.923 -2.130) 3.481 3.137 ( -6.034 0.429 -2.029) 6.380 3.217 ( 2.851 1.474 -2.347) 3.976 3.310 ( -3.135 4.453 -6.004) 8.107 3.423 ( 3.347 -5.045 3.541) 7.014 3.453 ( 4.086 2.165 6.439) 7.927 3.482 ( 1.012 -1.398 1.485) 2.277 3.596 ( 3.048 -3.487 -1.319) 4.816 3.645 ( -0.653 2.259 -0.893) 2.515 3.718 ( -0.538 -1.292 -1.113) 1.788 3.728 ( -0.580 -0.911 2.019) 2.289 3.768 ( -1.031 -2.751 -2.924) 4.145 3.831 ( 0.983 1.842 -0.734) 2.214 3.847 ( -4.298 0.411 1.222) 4.487 3.916 ( -0.934 2.543 0.405) 2.739 4.002 ( -0.483 2.496 -3.766) 4.544 4.036 ( 1.149 -5.725 1.553) 6.042 4.080 ( -0.147 -1.665 -0.593) 1.774 4.231 ( 7.057 0.491 -1.451) 7.221 4.288 ( 2.559 -0.833 0.761) 2.796 4.319 ( -3.721 -0.954 -0.571) 3.884 4.343 ( 0.566 -3.316 -3.103) 4.577 4.464 ( -0.547 -1.076 0.195) 1.223 4.483 ( -2.433 -0.898 -2.238) 3.426 4.597 ( -4.516 -5.871 0.822) 7.453 4.638 ( -3.987 -7.060 -1.383) 8.226 4.787 ( 2.878 1.102 -0.775) 3.177 4.805 ( 1.028 1.039 0.933) 1.734 4.820 ( -1.583 1.245 2.092) 2.904 4.874 ( 0.277 2.024 -2.427) 3.172 4.968 ( 3.375 0.150 -2.182) 4.022 4.984 ( -3.289 -2.575 3.463) 5.426 5.162 ( 3.745 3.418 4.635) 6.870 5.246 ( -1.773 -1.132 0.874) 2.278 5.349 ( 3.674 -2.524 3.169) 5.469 5.397 ( 3.541 1.498 6.264) 7.350 5.435 ( 1.819 3.213 1.223) 3.889 5.489 ( 0.168 0.768 -0.828) 1.142 5.573 ( 4.529 -1.284 -2.196) 5.195 5.590 ( -1.082 1.828 -2.502) 3.282 5.666 ( -4.215 1.048 -1.147) 4.492 5.694 ( -4.122 0.242 -3.495) 5.410 5.853 ( 0.087 -0.586 1.668) 1.770 5.880 ( -0.317 0.662 1.956) 2.089 5.905 ( -1.344 -2.001 -1.799) 3.008 5.940 ( -1.389 -3.577 -2.359) 4.504 6.070 ( 1.581 -1.889 0.225) 2.473 6.104 ( -1.630 -5.260 0.003) 5.507 6.193 ( 4.489 -0.711 2.441) 5.159 6.316 ( -1.336 -0.702 3.006) 3.363 6.323 ( -1.471 -1.463 -1.777) 2.731 6.400 ( -0.644 0.495 -4.061) 4.141 6.818 ( 1.573 1.953 2.125) 3.287 6.865 ( -0.509 2.806 -0.934) 3.001 6.958 ( 2.571 0.689 -1.639) 3.126 6.974 ( -2.789 0.663 1.562) 3.265 7.266 ( 1.497 2.131 -0.627) 2.678 7.294 ( -2.051 2.525 -0.472) 3.287 8.930 ( 0.205 0.635 1.119) 1.303 8.956 ( -0.084 1.060 -1.849) 2.132 9.072 ( -0.432 -1.064 1.419) 1.826 9.083 ( 0.421 -0.746 -0.813) 1.181 10.618 ( -0.085 1.309 0.116) 1.317 10.632 ( -0.780 0.814 -1.050) 1.541 10.732 ( 0.582 0.265 2.807) 2.879 10.799 ( -1.805 0.634 -3.238) 3.761 10.986 ( 0.556 -1.392 1.742) 2.298 11.025 ( -0.564 -2.608 -1.786) 3.210 11.246 ( 4.052 2.031 3.342) 5.631 11.309 ( 0.241 1.357 0.784) 1.586 11.476 ( 0.523 -0.071 0.375) 0.647 11.484 ( 0.010 -0.366 -0.380) 0.528 11.890 ( -0.141 -2.699 0.343) 2.724 11.930 ( -2.118 -3.148 -2.222) 4.397 12.250 ( 4.994 3.699 -4.029) 7.407 12.286 ( -5.674 0.134 3.013) 6.426 12.931 ( 3.099 0.420 0.287) 3.140 12.964 ( 0.723 1.564 -0.981) 1.983 12.993 ( -1.749 2.664 2.319) 3.941 13.038 ( -1.796 -0.835 -1.617) 2.557 13.229 ( 5.538 -3.689 -2.732) 7.193 13.286 ( -6.136 -2.287 2.343) 6.955 13.400 ( 3.540 -1.073 2.232) 4.320 13.484 ( -1.141 -1.317 -1.703) 2.436 13.588 ( 8.052 0.117 7.331) 10.890 13.838 ( -7.401 -0.440 -6.306) 9.734 14.161 ( 0.146 2.092 1.480) 2.567 14.199 ( -1.092 2.714 -1.432) 3.257 ======================= Grid point 163 (82/88) ======================= q-point: (-0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 2.882 3.941 -7.227) 8.722 1.469 ( -2.882 3.941 7.227) 8.722 1.607 ( -4.984 12.302 -5.821) 14.494 1.607 ( 4.984 12.302 5.821) 14.494 1.833 ( -8.719 -4.201 -3.282) 10.219 1.833 ( 8.719 -4.201 3.282) 10.219 1.971 ( -1.664 -1.971 -10.949) 11.249 1.971 ( 1.664 -1.971 10.949) 11.249 2.241 ( -1.146 3.465 -3.759) 5.240 2.241 ( 1.146 3.465 3.759) 5.240 2.486 ( -4.514 1.566 -0.536) 4.808 2.486 ( 4.514 1.566 0.536) 4.808 2.574 ( -3.013 -5.022 -3.774) 6.967 2.574 ( 3.013 -5.022 3.774) 6.967 2.740 ( 5.893 2.191 -9.639) 11.508 2.740 ( -5.893 2.191 9.639) 11.508 2.790 ( -1.820 3.408 -10.556) 11.241 2.790 ( 1.820 3.408 10.556) 11.241 2.934 ( -6.057 0.395 -4.129) 7.341 2.934 ( 6.057 0.395 4.129) 7.341 3.093 ( 3.153 -2.768 -1.882) 4.599 3.093 ( -3.153 -2.768 1.882) 4.599 3.227 ( 0.388 1.060 -2.499) 2.742 3.227 ( -0.388 1.060 2.499) 2.742 3.489 ( -4.088 0.045 -3.776) 5.566 3.489 ( 4.088 0.045 3.776) 5.566 3.539 ( 0.413 1.121 -3.623) 3.815 3.539 ( -0.413 1.121 3.623) 3.815 3.631 ( 0.500 4.646 -3.149) 5.635 3.631 ( -0.500 4.646 3.149) 5.635 3.747 ( -2.138 3.163 -2.681) 4.665 3.747 ( 2.138 3.163 2.681) 4.665 3.822 ( -0.147 -1.345 -1.910) 2.341 3.822 ( 0.147 -1.345 1.910) 2.341 3.965 ( -7.339 -4.178 0.393) 8.454 3.965 ( 7.339 -4.178 -0.393) 8.454 4.120 ( -1.599 -3.367 -1.921) 4.193 4.120 ( 1.599 -3.367 1.921) 4.193 4.237 ( -2.113 4.115 -1.037) 4.741 4.237 ( 2.113 4.115 1.037) 4.741 4.374 ( -1.490 -3.086 -0.854) 3.532 4.374 ( 1.490 -3.086 0.854) 3.532 4.499 ( 1.559 -3.968 -2.488) 4.936 4.499 ( -1.559 -3.968 2.488) 4.936 4.723 ( -2.587 -7.621 -2.351) 8.385 4.723 ( 2.587 -7.621 2.351) 8.385 4.774 ( -0.347 2.050 -2.629) 3.352 4.774 ( 0.347 2.050 2.629) 3.352 4.827 ( -1.699 0.983 -2.149) 2.910 4.827 ( 1.699 0.983 2.149) 2.910 4.992 ( 1.290 -0.806 -2.821) 3.205 4.992 ( -1.290 -0.806 2.821) 3.205 5.187 ( -5.997 2.643 -2.137) 6.893 5.187 ( 5.997 2.643 2.137) 6.893 5.382 ( 1.920 4.255 -3.835) 6.042 5.382 ( -1.920 4.255 3.835) 6.042 5.454 ( -2.703 -1.862 -0.396) 3.306 5.454 ( 2.703 -1.862 0.396) 3.306 5.602 ( 3.290 -1.247 -4.065) 5.376 5.602 ( -3.290 -1.247 4.065) 5.376 5.648 ( -1.778 -0.786 -2.603) 3.249 5.648 ( 1.778 -0.786 2.603) 3.249 5.882 ( -0.054 -1.339 -1.829) 2.268 5.882 ( 0.054 -1.339 1.829) 2.268 5.984 ( -2.150 -6.783 -4.073) 8.199 5.984 ( 2.150 -6.783 4.073) 8.199 6.158 ( -2.594 -5.326 -1.537) 6.120 6.158 ( 2.594 -5.326 1.537) 6.120 6.291 ( -6.269 -2.211 -3.223) 7.388 6.291 ( 6.269 -2.211 3.223) 7.388 6.357 ( 1.900 -0.803 -6.120) 6.458 6.357 ( -1.900 -0.803 6.120) 6.458 6.776 ( 0.412 6.953 -2.399) 7.367 6.776 ( -0.412 6.953 2.399) 7.367 6.934 ( 3.395 3.727 -2.999) 5.866 6.934 ( -3.395 3.727 2.999) 5.866 7.231 ( 0.735 3.325 -1.079) 3.572 7.231 ( -0.735 3.325 1.079) 3.572 8.930 ( 0.393 0.720 -1.590) 1.789 8.930 ( -0.393 0.720 1.590) 1.789 9.092 ( 0.378 -0.801 -0.804) 1.197 9.092 ( -0.378 -0.801 0.804) 1.197 10.603 ( -0.101 1.193 -1.094) 1.622 10.603 ( 0.101 1.193 1.094) 1.622 10.753 ( -0.987 0.648 -2.768) 3.009 10.753 ( 0.987 0.648 2.768) 3.009 11.038 ( -0.490 -2.117 -3.537) 4.151 11.038 ( 0.490 -2.117 3.537) 4.151 11.256 ( -1.886 2.916 -2.964) 4.565 11.256 ( 1.886 2.916 2.964) 4.565 11.493 ( -0.516 -0.931 -0.490) 1.172 11.493 ( 0.516 -0.931 0.490) 1.172 11.950 ( -3.276 -3.232 -0.773) 4.666 11.950 ( 3.276 -3.232 0.773) 4.666 12.228 ( -5.100 2.916 0.916) 5.945 12.228 ( 5.100 2.916 -0.916) 5.945 12.917 ( 1.882 2.466 -2.645) 4.077 12.917 ( -1.882 2.466 2.645) 4.077 13.022 ( -1.601 -1.406 -3.367) 3.984 13.022 ( 1.601 -1.406 3.367) 3.984 13.297 ( 5.778 -2.245 -3.457) 7.098 13.297 ( -5.778 -2.245 3.457) 7.098 13.475 ( -1.371 -2.432 -3.018) 4.112 13.475 ( 1.371 -2.432 3.018) 4.112 13.732 ( -9.135 -1.912 -6.764) 11.526 13.732 ( 9.135 -1.912 6.764) 11.526 14.126 ( 3.279 4.541 -4.191) 6.995 14.126 ( -3.279 4.541 4.191) 6.995 ======================= Grid point 167 (83/88) ======================= q-point: ( 0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 19.858 -0.000 -13.225) 23.858 1.120 ( 21.751 -0.000 -7.305) 22.945 1.424 ( -4.698 0.000 -6.035) 7.649 1.690 ( 14.098 -0.000 -14.686) 20.358 1.851 ( 0.300 -0.000 8.735) 8.740 1.932 ( 1.492 -0.000 -5.632) 5.826 1.979 ( 9.341 -0.000 -3.842) 10.100 2.154 ( -10.967 0.000 8.167) 13.674 2.308 ( 2.942 -0.000 -3.690) 4.719 2.405 ( 0.848 -0.000 8.448) 8.491 2.433 ( -1.868 0.000 -1.390) 2.329 2.457 ( -5.837 0.000 4.117) 7.143 2.539 ( -4.357 0.000 -1.079) 4.489 2.595 ( -2.847 0.000 1.425) 3.183 2.650 ( 2.947 -0.000 2.270) 3.720 2.757 ( -0.527 0.000 1.262) 1.368 2.777 ( 0.250 -0.000 11.161) 11.164 2.935 ( -6.485 0.000 2.049) 6.801 2.947 ( -3.714 0.000 0.199) 3.719 3.030 ( 6.910 -0.000 6.964) 9.810 3.088 ( 1.399 -0.000 -0.588) 1.517 3.155 ( -0.090 0.000 4.772) 4.773 3.245 ( 1.036 -0.000 -2.249) 2.476 3.342 ( -0.290 0.000 2.922) 2.936 3.403 ( 1.696 -0.000 -2.545) 3.058 3.492 ( 0.395 -0.000 2.498) 2.530 3.510 ( 0.018 -0.000 -2.148) 2.148 3.558 ( -2.178 0.000 -2.260) 3.138 3.602 ( -0.015 0.000 0.293) 0.293 3.614 ( 0.622 -0.000 0.441) 0.763 3.685 ( -6.294 0.000 -5.400) 8.293 3.747 ( 0.584 -0.000 2.647) 2.710 3.758 ( 1.555 -0.000 0.371) 1.599 3.811 ( 0.451 -0.000 -1.050) 1.143 3.943 ( -3.509 0.000 -7.079) 7.901 4.021 ( -4.049 0.000 -4.883) 6.344 4.061 ( -2.293 0.000 0.830) 2.439 4.126 ( 12.152 -0.000 0.679) 12.171 4.223 ( -2.354 0.000 -1.770) 2.945 4.316 ( -2.129 0.000 -2.568) 3.336 4.326 ( -5.425 0.000 -5.564) 7.771 4.392 ( -0.224 0.000 -0.671) 0.707 4.500 ( -4.740 0.000 -2.754) 5.482 4.551 ( 6.016 -0.000 3.518) 6.969 4.609 ( -0.764 0.000 -1.999) 2.140 4.664 ( -1.106 0.000 4.615) 4.746 4.738 ( -1.542 0.000 -0.849) 1.760 4.775 ( -4.170 0.000 2.852) 5.052 4.845 ( 3.841 -0.000 -0.513) 3.875 4.881 ( 1.426 -0.000 6.004) 6.171 4.972 ( 3.405 -0.000 -1.935) 3.916 5.077 ( -3.685 0.000 -4.432) 5.764 5.077 ( -1.663 0.000 2.603) 3.089 5.204 ( 3.549 -0.000 2.327) 4.244 5.256 ( 1.141 -0.000 6.336) 6.438 5.403 ( -4.713 0.000 -3.888) 6.110 5.418 ( -4.534 0.000 0.596) 4.573 5.536 ( 2.523 -0.000 2.553) 3.589 5.547 ( 3.322 -0.000 -1.480) 3.637 5.632 ( 3.168 -0.000 -2.579) 4.085 5.713 ( -1.749 0.000 -0.636) 1.861 5.843 ( 0.158 -0.000 2.801) 2.805 5.891 ( 5.506 -0.000 1.607) 5.736 5.983 ( -1.643 0.000 -0.923) 1.885 6.034 ( 0.672 -0.000 -8.654) 8.680 6.106 ( 0.489 -0.000 -1.290) 1.379 6.175 ( 1.045 -0.000 2.885) 3.069 6.276 ( 4.771 -0.000 -5.085) 6.973 6.276 ( 1.405 -0.000 4.500) 4.714 6.373 ( -2.624 0.000 2.511) 3.632 6.462 ( -3.429 0.000 1.449) 3.722 6.535 ( 2.639 -0.000 -3.296) 4.222 6.545 ( -7.285 0.000 -0.104) 7.286 6.657 ( 0.057 -0.000 0.185) 0.193 6.715 ( -1.636 0.000 -0.746) 1.798 6.771 ( -0.991 0.000 0.191) 1.010 7.140 ( -0.611 0.000 1.526) 1.644 7.370 ( 3.327 -0.000 1.197) 3.536 8.934 ( 0.707 -0.000 0.945) 1.180 8.962 ( -0.637 0.000 3.042) 3.108 9.065 ( -0.613 0.000 -1.715) 1.821 9.079 ( -0.276 0.000 -1.213) 1.244 10.614 ( 3.021 -0.000 -0.239) 3.031 10.673 ( 1.430 -0.000 -1.502) 2.074 10.680 ( 0.466 -0.000 -2.600) 2.641 10.839 ( -1.786 0.000 0.269) 1.806 10.950 ( 0.667 -0.000 -2.137) 2.239 11.088 ( -3.776 0.000 -3.741) 5.315 11.222 ( -2.701 0.000 -1.743) 3.215 11.284 ( -0.176 0.000 2.155) 2.162 11.314 ( 4.662 -0.000 6.716) 8.175 11.485 ( 1.685 -0.000 0.242) 1.702 11.765 ( 0.121 -0.000 -2.173) 2.177 11.956 ( -5.853 0.000 -0.116) 5.854 12.320 ( 2.470 -0.000 1.222) 2.755 12.322 ( 4.740 -0.000 -1.685) 5.031 12.862 ( 2.514 -0.000 -4.912) 5.518 12.999 ( -1.548 0.000 7.458) 7.617 13.102 ( 5.032 -0.000 3.333) 6.035 13.127 ( -6.753 0.000 4.006) 7.852 13.156 ( -6.438 0.000 5.884) 8.722 13.227 ( -4.987 0.000 -2.271) 5.479 13.343 ( -2.955 0.000 1.269) 3.216 13.537 ( 1.190 -0.000 -3.279) 3.488 13.725 ( -2.724 0.000 -4.991) 5.686 13.758 ( -1.313 0.000 -7.455) 7.570 14.032 ( 4.893 -0.000 8.891) 10.148 14.213 ( 6.599 -0.000 -2.925) 7.218 ======================= Grid point 168 (84/88) ======================= q-point: ( 0.43 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 14.327 1.278 -7.581) 16.259 1.299 ( 3.931 -5.537 -9.327) 11.537 1.387 ( 9.263 -4.279 -9.044) 13.635 1.802 ( -8.628 5.741 4.675) 11.369 1.868 ( 18.318 -6.730 -5.555) 20.291 1.919 ( -0.216 -4.658 2.180) 5.147 2.071 ( 6.571 -2.645 -0.592) 7.108 2.155 ( -2.820 -3.158 1.905) 4.643 2.282 ( -0.352 -0.662 -4.394) 4.457 2.303 ( -2.108 3.517 3.171) 5.183 2.464 ( -2.677 3.885 8.448) 9.676 2.488 ( -0.444 -0.545 -4.512) 4.567 2.564 ( -2.571 -7.148 4.389) 8.773 2.651 ( 0.899 -3.395 5.520) 6.542 2.672 ( 1.859 1.485 0.835) 2.521 2.729 ( 3.186 5.185 2.165) 6.459 2.844 ( -4.989 -0.047 0.709) 5.039 2.862 ( -2.421 3.518 8.020) 9.086 2.953 ( -1.757 -1.166 0.235) 2.122 2.994 ( 0.782 7.105 1.563) 7.317 3.171 ( 0.848 -2.561 -3.355) 4.305 3.214 ( -2.636 -0.386 11.423) 11.729 3.233 ( -1.579 3.493 -5.970) 7.095 3.296 ( 2.300 -4.207 -1.316) 4.972 3.405 ( 0.773 -1.014 -4.698) 4.868 3.452 ( -1.725 2.212 -2.212) 3.572 3.496 ( 0.699 3.176 -0.229) 3.260 3.529 ( -0.470 -0.471 -0.187) 0.692 3.595 ( 0.814 0.204 1.903) 2.079 3.639 ( -3.608 -2.989 -1.049) 4.801 3.697 ( -0.060 -5.696 -1.647) 5.930 3.760 ( 1.287 0.526 0.373) 1.439 3.791 ( 2.129 -0.772 -1.072) 2.506 3.846 ( -2.950 -2.725 -0.920) 4.120 3.861 ( -3.348 -0.436 -2.590) 4.255 3.902 ( -2.197 1.957 -1.219) 3.185 4.068 ( -4.415 -1.334 -0.124) 4.614 4.123 ( -2.945 1.717 -4.710) 5.814 4.173 ( 8.719 4.998 1.167) 10.118 4.298 ( -0.750 -0.509 -2.107) 2.294 4.328 ( -1.469 -3.176 -2.941) 4.572 4.401 ( -3.594 -1.337 0.988) 3.960 4.422 ( -1.892 2.947 -2.003) 4.034 4.525 ( 0.527 2.821 -1.330) 3.163 4.622 ( -0.834 1.336 -1.651) 2.281 4.676 ( 0.931 1.006 -0.587) 1.491 4.747 ( 3.676 -0.623 1.370) 3.972 4.780 ( -4.272 -2.190 1.858) 5.148 4.844 ( 1.035 0.766 -0.649) 1.442 4.936 ( -1.568 -0.109 0.992) 1.858 5.007 ( -0.165 0.353 0.504) 0.637 5.039 ( 2.712 -0.392 5.977) 6.575 5.059 ( -1.149 2.250 1.376) 2.877 5.264 ( 5.643 1.384 4.432) 7.307 5.297 ( -1.526 1.045 5.354) 5.665 5.339 ( -2.202 0.636 0.088) 2.294 5.392 ( -0.706 -1.590 -1.542) 2.325 5.557 ( 3.883 0.984 -1.245) 4.195 5.590 ( 2.980 0.482 1.880) 3.556 5.628 ( 1.371 -0.467 -3.633) 3.911 5.712 ( -0.764 -2.883 -1.378) 3.285 5.855 ( -0.542 2.304 2.464) 3.416 5.889 ( -3.275 1.665 -1.961) 4.164 5.931 ( 1.279 2.815 0.476) 3.129 5.977 ( 4.075 3.216 -7.049) 8.754 6.063 ( -2.031 2.510 -1.894) 3.743 6.170 ( 1.378 6.585 1.251) 6.843 6.220 ( 1.423 5.046 3.256) 6.171 6.289 ( 1.064 2.087 -1.989) 3.073 6.316 ( -1.336 5.492 0.731) 5.699 6.424 ( -2.541 6.382 0.590) 6.895 6.448 ( -0.207 1.617 -1.614) 2.294 6.610 ( 0.018 -8.167 0.775) 8.203 6.691 ( 0.603 -7.303 -0.073) 7.328 6.807 ( -2.722 -7.316 -0.309) 7.813 6.816 ( -0.703 -7.313 -0.612) 7.372 7.172 ( 0.453 -2.183 2.554) 3.390 7.371 ( -1.112 0.366 -2.067) 2.375 8.944 ( 0.779 0.584 1.379) 1.688 8.987 ( -0.569 -0.568 2.625) 2.745 9.043 ( -0.511 0.323 -1.714) 1.817 9.068 ( -0.191 -0.254 -1.430) 1.465 10.638 ( 1.402 -0.613 -0.244) 1.550 10.659 ( 0.615 0.336 -1.979) 2.100 10.683 ( 1.775 -0.973 -1.246) 2.377 10.816 ( -2.914 -0.341 -1.210) 3.173 10.945 ( 0.639 -0.340 -1.111) 1.326 11.008 ( -2.707 0.828 -3.462) 4.472 11.223 ( 2.126 0.073 1.587) 2.654 11.311 ( 0.766 -0.762 2.159) 2.415 11.425 ( 2.269 -1.639 5.230) 5.932 11.507 ( 1.459 0.080 1.035) 1.791 11.769 ( -0.125 -2.347 -1.386) 2.728 11.902 ( -5.211 0.027 -1.753) 5.498 12.300 ( 1.373 2.877 2.110) 3.822 12.365 ( 2.605 -0.566 -3.087) 4.079 12.860 ( 3.729 -0.332 -2.049) 4.267 13.033 ( -0.775 2.024 4.759) 5.229 13.056 ( -6.635 0.004 2.005) 6.931 13.124 ( -0.895 2.598 1.567) 3.163 13.187 ( 0.872 0.785 -0.679) 1.356 13.235 ( -1.352 -4.131 4.498) 6.255 13.337 ( -1.324 0.660 4.348) 4.593 13.504 ( 0.490 1.015 -3.384) 3.567 13.576 ( 0.754 5.195 -3.136) 6.115 13.787 ( -3.555 -6.762 -7.002) 10.363 14.149 ( -0.346 -2.261 7.897) 8.221 14.231 ( 5.231 0.568 -3.641) 6.398 ======================= Grid point 169 (85/88) ======================= q-point: ( 0.57 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 3.474 -5.069 0.918) 6.213 1.303 ( -2.171 -6.531 -10.428) 12.494 1.492 ( 16.161 -3.974 -10.463) 19.659 1.644 ( -14.909 3.554 5.823) 16.396 1.969 ( 3.035 -1.097 4.967) 5.923 2.002 ( 4.081 1.154 0.454) 4.265 2.171 ( -1.770 1.317 5.553) 5.975 2.193 ( 4.593 -2.661 -4.027) 6.662 2.270 ( -1.794 -1.288 -0.560) 2.278 2.355 ( -2.412 -5.196 -0.703) 5.771 2.414 ( 0.998 6.293 4.272) 7.671 2.540 ( 3.725 -3.267 -3.463) 6.046 2.613 ( -2.064 -1.727 -0.042) 2.691 2.659 ( 0.734 1.397 -0.272) 1.601 2.670 ( 3.253 5.981 0.307) 6.815 2.736 ( -3.948 5.116 2.232) 6.837 2.761 ( 5.851 0.248 0.441) 5.873 2.878 ( -4.641 -0.579 -0.444) 4.698 2.921 ( -2.340 -1.927 9.504) 9.976 3.036 ( 0.585 -3.272 -0.384) 3.346 3.100 ( 0.826 1.439 -2.527) 3.023 3.164 ( 2.282 -0.226 -3.548) 4.225 3.268 ( -3.529 2.258 8.582) 9.550 3.344 ( 3.628 2.947 -6.821) 8.269 3.404 ( -0.885 -4.044 -0.194) 4.144 3.430 ( -1.878 -3.027 -2.304) 4.243 3.478 ( 0.497 0.310 2.490) 2.558 3.513 ( -0.905 -0.843 -3.111) 3.348 3.643 ( -2.049 -2.256 -0.606) 3.107 3.650 ( 5.371 1.408 2.480) 6.081 3.669 ( -2.082 1.622 -2.371) 3.548 3.744 ( 1.052 -1.866 -1.163) 2.438 3.812 ( -1.518 0.956 -0.374) 1.832 3.819 ( -4.621 -1.837 1.594) 5.221 3.891 ( 1.355 -4.508 2.059) 5.138 3.973 ( 1.291 -3.613 2.602) 4.636 4.015 ( -5.074 1.021 -1.015) 5.274 4.093 ( -2.694 -3.428 -5.193) 6.781 4.180 ( 7.602 3.579 1.105) 8.474 4.272 ( -1.481 -0.641 -4.739) 5.006 4.310 ( -3.106 0.455 -0.005) 3.139 4.323 ( -1.185 2.447 -0.708) 2.809 4.430 ( -1.476 -1.342 1.565) 2.536 4.473 ( -1.397 0.978 -3.304) 3.718 4.564 ( 0.513 4.046 0.261) 4.087 4.638 ( -2.379 4.315 -4.248) 6.506 4.759 ( 0.981 -2.711 0.574) 2.940 4.795 ( 0.160 -1.637 -1.569) 2.273 4.878 ( 0.872 -0.014 4.448) 4.532 4.924 ( -0.233 1.165 1.094) 1.615 4.979 ( 0.290 1.997 -0.545) 2.090 5.001 ( -0.574 3.178 -1.068) 3.401 5.156 ( 2.952 -2.294 6.135) 7.184 5.269 ( -1.370 -0.166 -2.507) 2.862 5.315 ( 2.123 2.284 6.750) 7.435 5.384 ( 0.541 -1.550 1.561) 2.265 5.430 ( 1.087 -2.129 5.732) 6.211 5.539 ( 4.236 1.612 -6.102) 7.601 5.610 ( 2.155 2.407 3.829) 5.010 5.620 ( 0.980 0.126 -1.636) 1.911 5.757 ( 0.483 -3.981 -2.202) 4.575 5.804 ( -1.244 3.321 1.243) 3.758 5.815 ( -5.738 2.134 -2.542) 6.628 5.850 ( 0.359 7.129 -5.092) 8.768 5.931 ( 2.774 2.041 0.232) 3.452 5.989 ( -2.238 2.753 -1.429) 3.825 6.098 ( 2.175 4.922 1.320) 5.540 6.147 ( -3.303 6.080 2.496) 7.356 6.233 ( 0.555 4.324 0.603) 4.401 6.262 ( 1.163 -0.225 -4.414) 4.570 6.361 ( -1.239 2.563 4.606) 5.415 6.415 ( 0.227 0.737 -3.350) 3.438 6.745 ( 1.555 -6.521 2.486) 7.150 6.804 ( 0.119 -6.508 -1.780) 6.748 6.890 ( -0.935 -6.062 0.150) 6.136 6.902 ( -0.943 -5.037 -0.086) 5.125 7.240 ( 1.483 -2.584 2.715) 4.031 7.329 ( -2.566 -0.153 -3.165) 4.077 8.952 ( 0.729 0.799 1.535) 1.878 8.987 ( -0.663 0.880 -0.963) 1.463 9.041 ( -0.333 -0.911 1.235) 1.570 9.062 ( 0.084 -0.589 -1.506) 1.620 10.642 ( -0.049 0.092 -0.445) 0.457 10.649 ( 0.211 0.190 -1.124) 1.159 10.719 ( 2.408 -1.102 1.345) 2.970 10.791 ( -2.734 -0.959 -2.017) 3.530 10.953 ( 0.604 -0.767 -0.101) 0.982 10.975 ( -1.115 -0.664 -1.339) 1.865 11.268 ( 3.920 -0.555 2.243) 4.550 11.335 ( -0.669 -0.359 0.918) 1.191 11.471 ( 1.133 0.605 2.444) 2.760 11.508 ( 0.234 1.340 0.230) 1.380 11.802 ( -0.718 -2.928 0.121) 3.017 11.853 ( -3.178 -1.283 -3.181) 4.676 12.295 ( -0.998 1.502 4.308) 4.670 12.340 ( 2.140 1.801 -4.867) 5.614 12.905 ( 4.531 -1.376 0.848) 4.811 12.998 ( -3.700 0.350 -0.091) 3.717 13.042 ( -1.005 1.555 1.621) 2.461 13.076 ( -1.620 2.139 -1.030) 2.875 13.194 ( 3.137 1.126 1.818) 3.797 13.267 ( -2.595 -0.098 -0.441) 2.634 13.373 ( 0.773 -0.485 5.131) 5.212 13.468 ( -0.818 0.004 -4.150) 4.230 13.579 ( 4.964 -0.749 5.629) 7.543 13.779 ( -5.547 -4.213 -7.201) 10.019 14.199 ( 0.199 0.335 2.565) 2.594 14.229 ( 0.958 0.401 -1.668) 1.965 ======================= Grid point 170 (86/88) ======================= q-point: ( 0.71 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( -1.674 -8.723 -7.546) 11.655 1.317 ( 1.674 -8.723 7.546) 11.655 1.599 ( 9.100 -4.355 -7.094) 12.333 1.599 ( -9.100 -4.355 7.094) 12.333 1.983 ( -0.071 5.878 -3.878) 7.042 1.983 ( 0.071 5.878 3.878) 7.042 2.146 ( 1.975 6.705 -12.328) 14.171 2.146 ( -1.975 6.705 12.328) 14.171 2.313 ( -1.552 -2.742 -3.771) 4.914 2.313 ( 1.552 -2.742 3.771) 4.914 2.456 ( -4.411 1.983 -4.971) 6.935 2.456 ( 4.411 1.983 4.971) 6.935 2.590 ( -1.176 5.282 -2.744) 6.067 2.590 ( 1.176 5.282 2.744) 6.067 2.661 ( -0.744 -0.079 -3.064) 3.154 2.661 ( 0.744 -0.079 3.064) 3.154 2.862 ( -3.892 -3.809 -2.517) 5.999 2.862 ( 3.892 -3.809 2.517) 5.999 3.015 ( 2.136 -1.134 -4.540) 5.143 3.015 ( -2.136 -1.134 4.540) 5.143 3.124 ( -4.992 5.331 -1.971) 7.565 3.124 ( 4.992 5.331 1.971) 7.565 3.273 ( 2.222 1.573 -3.250) 4.240 3.273 ( -2.222 1.573 3.250) 4.240 3.435 ( -2.809 -1.197 -1.972) 3.635 3.435 ( 2.809 -1.197 1.972) 3.635 3.526 ( 1.170 -3.846 -4.414) 5.970 3.526 ( -1.170 -3.846 4.414) 5.970 3.653 ( -2.156 -1.333 -1.783) 3.099 3.653 ( 2.156 -1.333 1.783) 3.099 3.728 ( -1.598 -0.458 -1.792) 2.444 3.728 ( 1.598 -0.458 1.792) 2.444 3.818 ( 3.162 -1.051 -1.805) 3.790 3.818 ( -3.162 -1.051 1.805) 3.790 3.976 ( -1.798 -3.145 -3.600) 5.107 3.976 ( 1.798 -3.145 3.600) 5.107 4.039 ( -2.473 1.979 -5.093) 5.997 4.039 ( 2.473 1.979 5.093) 5.997 4.244 ( -6.398 -2.801 -1.329) 7.110 4.244 ( 6.398 -2.801 1.329) 7.110 4.298 ( 0.092 -0.524 -0.782) 0.946 4.298 ( -0.092 -0.524 0.782) 0.946 4.452 ( 1.560 -1.036 -1.581) 2.451 4.452 ( -1.560 -1.036 1.581) 2.451 4.539 ( -1.828 0.661 -2.715) 3.339 4.539 ( 1.828 0.661 2.715) 3.339 4.803 ( 3.082 -0.726 -3.806) 4.951 4.803 ( -3.082 -0.726 3.806) 4.951 4.889 ( -0.695 3.009 -3.430) 4.615 4.889 ( 0.695 3.009 3.430) 4.615 4.968 ( 3.402 -0.450 -4.853) 5.943 4.968 ( -3.402 -0.450 4.853) 5.943 5.233 ( 0.760 0.285 -5.285) 5.347 5.233 ( -0.760 0.285 5.285) 5.347 5.373 ( -3.044 -1.377 -4.149) 5.327 5.373 ( 3.044 -1.377 4.149) 5.327 5.512 ( 1.133 -0.281 -6.576) 6.679 5.512 ( -1.133 -0.281 6.576) 6.679 5.602 ( -0.373 2.317 -1.411) 2.738 5.602 ( 0.373 2.317 1.411) 2.738 5.687 ( 2.742 6.187 -3.907) 7.814 5.687 ( -2.742 6.187 3.907) 7.814 5.826 ( 1.712 -3.755 -2.389) 4.768 5.826 ( -1.712 -3.755 2.389) 4.768 5.924 ( -0.684 2.321 -2.396) 3.405 5.924 ( 0.684 2.321 2.396) 3.405 6.073 ( -0.151 1.476 -1.338) 1.998 6.073 ( 0.151 1.476 1.338) 1.998 6.236 ( -1.556 -0.802 -4.467) 4.797 6.236 ( 1.556 -0.802 4.467) 4.797 6.371 ( 0.343 0.939 -5.266) 5.360 6.371 ( -0.343 0.939 5.266) 5.360 6.847 ( -0.810 -2.371 -2.879) 3.816 6.847 ( 0.810 -2.371 2.879) 3.816 6.953 ( 2.413 -2.363 -2.128) 3.992 6.953 ( -2.413 -2.363 2.128) 3.992 7.294 ( -1.170 -0.006 -2.119) 2.420 7.294 ( 1.170 -0.006 2.119) 2.420 8.956 ( -0.073 0.962 -1.922) 2.150 8.956 ( 0.073 0.962 1.922) 2.150 9.064 ( 0.442 -0.944 -1.511) 1.835 9.064 ( -0.442 -0.944 1.511) 1.835 10.636 ( -0.075 0.761 -0.478) 0.901 10.636 ( 0.075 0.761 0.478) 0.901 10.764 ( -1.086 -0.321 -3.204) 3.399 10.764 ( 1.086 -0.321 3.204) 3.399 10.978 ( -0.683 -1.529 -0.898) 1.900 10.978 ( 0.683 -1.529 0.898) 1.900 11.317 ( -3.067 0.671 -1.237) 3.375 11.317 ( 3.067 0.671 1.237) 3.375 11.482 ( -0.528 0.615 -1.301) 1.533 11.482 ( 0.528 0.615 1.301) 1.533 11.852 ( -0.165 -3.139 -2.501) 4.017 11.852 ( 0.165 -3.139 2.501) 4.017 12.292 ( 3.216 1.785 -4.764) 6.019 12.292 ( -3.216 1.785 4.764) 6.019 12.965 ( -1.944 -0.389 -1.839) 2.704 12.965 ( 1.944 -0.389 1.839) 2.704 13.025 ( -1.379 1.826 -0.122) 2.292 13.025 ( 1.379 1.826 0.122) 2.292 13.229 ( -0.273 -0.509 -2.473) 2.540 13.229 ( 0.273 -0.509 2.473) 2.540 13.431 ( -0.340 -0.834 -5.098) 5.177 13.431 ( 0.340 -0.834 5.098) 5.177 13.707 ( -7.420 -1.253 -7.756) 10.806 13.707 ( 7.420 -1.253 7.756) 10.806 14.205 ( 2.099 1.204 -3.378) 4.155 14.205 ( -2.099 1.204 3.378) 4.155 ======================= Grid point 176 (87/88) ======================= q-point: ( 0.43 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 11.326 -0.000 -11.236) 15.954 1.212 ( -9.050 0.000 0.288) 9.054 1.471 ( 23.036 -0.000 -2.427) 23.164 1.745 ( -8.467 0.000 0.438) 8.479 1.922 ( 9.476 -0.000 -6.308) 11.384 1.936 ( -1.019 0.000 1.176) 1.556 2.081 ( 9.723 -0.000 -4.977) 10.923 2.099 ( -4.965 0.000 7.568) 9.052 2.271 ( -0.390 0.000 2.958) 2.984 2.325 ( -2.939 0.000 -0.051) 2.939 2.455 ( 1.185 -0.000 -1.375) 1.815 2.494 ( -0.147 0.000 4.497) 4.500 2.569 ( -0.435 0.000 4.400) 4.421 2.664 ( -3.523 0.000 -3.189) 4.752 2.709 ( 4.011 -0.000 9.378) 10.200 2.777 ( -1.769 0.000 2.333) 2.927 2.812 ( -2.838 0.000 -0.683) 2.919 2.917 ( 1.338 -0.000 0.937) 1.633 3.009 ( 0.891 -0.000 9.110) 9.153 3.020 ( -6.799 0.000 -5.068) 8.480 3.124 ( -3.888 0.000 -3.587) 5.290 3.144 ( 0.267 -0.000 -7.819) 7.824 3.269 ( 0.356 -0.000 0.224) 0.421 3.301 ( -1.795 0.000 12.768) 12.894 3.366 ( 0.899 -0.000 -5.729) 5.799 3.418 ( -2.382 0.000 -5.316) 5.826 3.529 ( 0.613 -0.000 0.218) 0.651 3.539 ( 2.112 -0.000 -0.383) 2.146 3.583 ( 2.099 -0.000 -2.078) 2.953 3.638 ( -3.280 0.000 1.791) 3.737 3.641 ( 1.634 -0.000 3.046) 3.456 3.733 ( -5.176 0.000 -2.808) 5.888 3.791 ( 1.691 -0.000 2.169) 2.750 3.813 ( 6.361 -0.000 -4.330) 7.695 3.845 ( -1.642 0.000 2.825) 3.268 3.887 ( -2.273 0.000 -4.749) 5.265 4.011 ( -4.714 0.000 1.370) 4.909 4.040 ( -3.433 0.000 -6.491) 7.343 4.271 ( 0.240 -0.000 -0.924) 0.954 4.274 ( -1.779 0.000 1.075) 2.078 4.339 ( 9.628 -0.000 -1.072) 9.687 4.392 ( -2.883 0.000 3.050) 4.197 4.434 ( 1.544 -0.000 -0.087) 1.546 4.539 ( -3.314 0.000 -3.979) 5.179 4.616 ( 1.201 -0.000 2.902) 3.141 4.693 ( -0.777 0.000 -2.598) 2.712 4.719 ( -0.041 0.000 0.109) 0.116 4.764 ( -2.736 0.000 -1.928) 3.347 4.848 ( 1.345 -0.000 2.033) 2.438 4.920 ( -1.849 0.000 -1.265) 2.241 5.066 ( 0.858 -0.000 3.062) 3.180 5.075 ( 2.235 -0.000 7.137) 7.479 5.094 ( -0.641 0.000 2.546) 2.626 5.235 ( -4.384 0.000 -4.564) 6.328 5.363 ( -2.092 0.000 2.108) 2.970 5.369 ( 4.091 -0.000 3.657) 5.487 5.408 ( 5.419 -0.000 5.282) 7.567 5.567 ( 2.079 -0.000 -4.174) 4.663 5.617 ( 1.098 -0.000 0.468) 1.193 5.632 ( 4.302 -0.000 -0.195) 4.307 5.664 ( -1.425 0.000 -1.894) 2.370 5.795 ( -7.540 0.000 -8.425) 11.306 5.913 ( 0.610 -0.000 6.209) 6.239 5.978 ( 1.344 -0.000 0.755) 1.542 6.003 ( 3.292 -0.000 -2.703) 4.259 6.027 ( -3.268 0.000 -3.804) 5.015 6.268 ( 0.346 -0.000 5.266) 5.277 6.290 ( 6.498 -0.000 -5.214) 8.332 6.336 ( -3.034 0.000 3.828) 4.884 6.393 ( -3.476 0.000 -2.524) 4.296 6.424 ( 3.018 -0.000 2.332) 3.815 6.469 ( -2.891 0.000 1.021) 3.066 6.548 ( 3.646 -0.000 -0.191) 3.651 6.629 ( -2.659 0.000 -1.523) 3.064 6.696 ( 0.298 -0.000 0.082) 0.309 6.730 ( -2.106 0.000 -1.232) 2.440 7.192 ( 2.162 -0.000 3.993) 4.541 7.323 ( -3.857 0.000 -4.685) 6.069 8.970 ( 1.117 -0.000 1.523) 1.889 8.997 ( -1.028 0.000 2.141) 2.375 9.030 ( -0.095 0.000 -1.152) 1.156 9.051 ( -0.239 0.000 -1.894) 1.909 10.632 ( 0.079 -0.000 -0.412) 0.419 10.645 ( -0.163 0.000 -1.965) 1.971 10.697 ( 4.174 -0.000 -0.038) 4.175 10.776 ( -3.980 0.000 -1.158) 4.145 10.941 ( 0.784 -0.000 -0.454) 0.906 10.971 ( -1.736 0.000 -2.147) 2.761 11.251 ( 2.292 -0.000 1.343) 2.657 11.295 ( -1.436 0.000 0.412) 1.494 11.505 ( 3.232 -0.000 5.137) 6.069 11.530 ( 1.883 -0.000 0.756) 2.029 11.754 ( 1.475 -0.000 0.395) 1.527 11.844 ( -5.100 0.000 -2.407) 5.639 12.349 ( 2.357 -0.000 -1.854) 2.998 12.352 ( -0.356 0.000 0.849) 0.921 12.883 ( 6.319 -0.000 -1.656) 6.533 12.996 ( -8.861 0.000 0.875) 8.904 13.084 ( -0.898 0.000 5.192) 5.269 13.139 ( 0.220 -0.000 -3.231) 3.239 13.223 ( -4.087 0.000 8.672) 9.587 13.229 ( 5.247 -0.000 -1.304) 5.406 13.373 ( 0.393 -0.000 4.971) 4.987 13.472 ( -1.157 0.000 -4.693) 4.834 13.613 ( -1.944 0.000 -2.971) 3.550 13.626 ( -0.284 0.000 -6.233) 6.240 14.195 ( -2.768 0.000 9.384) 9.784 14.243 ( 5.241 -0.000 -5.880) 7.877 ======================= Grid point 177 (88/88) ======================= q-point: ( 0.57 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 2.159 -1.797 -4.888) 5.637 1.165 ( -2.159 -1.797 4.888) 5.637 1.597 ( -17.595 3.940 2.047) 18.146 1.597 ( 17.595 3.940 -2.047) 18.146 1.954 ( 2.093 -3.822 -5.446) 6.974 1.954 ( -2.093 -3.822 5.446) 6.974 2.164 ( 2.627 -4.867 -2.638) 6.127 2.164 ( -2.627 -4.867 2.638) 6.127 2.290 ( -0.577 1.457 -4.098) 4.388 2.290 ( 0.577 1.457 4.098) 4.388 2.509 ( -5.994 -0.788 -0.394) 6.058 2.509 ( 5.994 -0.788 0.394) 6.058 2.596 ( -6.302 -0.963 -3.709) 7.375 2.596 ( 6.302 -0.963 3.709) 7.375 2.762 ( 0.610 2.061 -4.227) 4.742 2.762 ( -0.610 2.061 4.227) 4.742 2.865 ( -5.209 -0.699 -5.784) 7.815 2.865 ( 5.209 -0.699 5.784) 7.815 2.987 ( -2.842 4.437 -1.258) 5.417 2.987 ( 2.842 4.437 1.258) 5.417 3.092 ( 1.564 -2.159 -4.582) 5.301 3.092 ( -1.564 -2.159 4.582) 5.301 3.335 ( 2.073 -1.869 -4.641) 5.416 3.335 ( -2.073 -1.869 4.641) 5.416 3.360 ( 2.754 0.457 -8.079) 8.548 3.360 ( -2.754 0.457 8.079) 8.548 3.512 ( -0.439 2.252 -1.104) 2.547 3.512 ( 0.439 2.252 1.104) 2.547 3.624 ( -0.466 -1.516 -3.120) 3.500 3.624 ( 0.466 -1.516 3.120) 3.500 3.699 ( -2.800 -1.945 -3.501) 4.887 3.699 ( 2.800 -1.945 3.501) 4.887 3.814 ( -4.356 2.253 -0.013) 4.904 3.814 ( 4.356 2.253 0.013) 4.904 3.884 ( -2.599 -5.368 -0.649) 5.999 3.884 ( 2.599 -5.368 0.649) 5.999 4.002 ( 1.028 -0.594 -2.845) 3.083 4.002 ( -1.028 -0.594 2.845) 3.083 4.256 ( 0.324 1.655 -1.838) 2.495 4.256 ( -0.324 1.655 1.838) 2.495 4.360 ( -1.495 3.272 0.019) 3.598 4.360 ( 1.495 3.272 -0.019) 3.598 4.453 ( -2.914 1.622 -3.018) 4.498 4.453 ( 2.914 1.622 3.018) 4.498 4.648 ( -1.059 2.642 -4.068) 4.965 4.648 ( 1.059 2.642 4.068) 4.965 4.736 ( -0.592 -2.082 -0.943) 2.361 4.736 ( 0.592 -2.082 0.943) 2.361 4.900 ( -1.685 -1.414 -2.706) 3.487 4.900 ( 1.685 -1.414 2.706) 3.487 5.047 ( -0.137 4.164 -1.845) 4.556 5.047 ( 0.137 4.164 1.845) 4.556 5.188 ( -3.034 -2.494 -5.409) 6.684 5.188 ( 3.034 -2.494 5.409) 6.684 5.374 ( 0.880 0.151 -3.476) 3.589 5.374 ( -0.880 0.151 3.476) 3.589 5.509 ( -1.717 0.770 -9.334) 9.521 5.509 ( 1.717 0.770 9.334) 9.521 5.641 ( -0.559 0.367 -2.115) 2.218 5.641 ( 0.559 0.367 2.115) 2.218 5.702 ( -4.691 -3.031 -1.370) 5.750 5.702 ( 4.691 -3.031 1.370) 5.750 5.932 ( 1.037 5.331 -5.831) 7.968 5.932 ( -1.037 5.331 5.831) 7.968 5.985 ( 0.806 1.413 -1.452) 2.180 5.985 ( -0.806 1.413 1.452) 2.180 6.224 ( 2.875 7.169 -3.934) 8.669 6.224 ( -2.875 7.169 3.934) 8.669 6.305 ( -0.683 4.886 -1.328) 5.109 6.305 ( 0.683 4.886 1.328) 5.109 6.419 ( 0.867 2.981 -2.858) 4.220 6.419 ( -0.867 2.981 2.858) 4.220 6.664 ( -0.959 -8.191 -3.104) 8.812 6.664 ( 0.959 -8.191 3.104) 8.812 6.788 ( -0.085 -7.888 -1.535) 8.037 6.788 ( 0.085 -7.888 1.535) 8.037 7.260 ( -3.391 -1.133 -4.567) 5.800 7.260 ( 3.391 -1.133 4.567) 5.800 8.983 ( -0.782 0.760 -1.520) 1.871 8.983 ( 0.782 0.760 1.520) 1.871 9.040 ( -0.011 -0.646 -1.803) 1.915 9.040 ( 0.011 -0.646 1.803) 1.915 10.638 ( -0.053 -0.471 -0.663) 0.815 10.638 ( 0.053 -0.471 0.663) 0.815 10.740 ( -3.174 -0.675 -1.278) 3.488 10.740 ( 3.174 -0.675 1.278) 3.488 10.952 ( -0.915 -0.360 -0.599) 1.151 10.952 ( 0.915 -0.360 0.599) 1.151 11.291 ( -2.699 -1.530 -1.099) 3.291 11.291 ( 2.699 -1.530 1.099) 3.291 11.527 ( -0.659 1.602 -1.270) 2.148 11.527 ( 0.659 1.602 1.270) 2.148 11.792 ( -3.009 -0.771 -2.247) 3.834 11.792 ( 3.009 -0.771 2.247) 3.834 12.342 ( 0.864 1.271 -3.062) 3.426 12.342 ( -0.864 1.271 3.062) 3.426 12.939 ( -6.813 -0.780 -0.091) 6.858 12.939 ( 6.813 -0.780 0.091) 6.858 13.092 ( 0.677 2.427 -3.833) 4.587 13.092 ( -0.677 2.427 3.833) 4.587 13.244 ( 2.417 0.221 -4.456) 5.074 13.244 ( -2.417 0.221 4.456) 5.074 13.421 ( -1.254 0.076 -5.377) 5.522 13.421 ( 1.254 0.076 5.377) 5.522 13.624 ( -2.981 -3.314 -5.432) 7.026 13.624 ( 2.981 -3.314 5.432) 7.026 14.227 ( 4.299 0.462 -6.989) 8.218 14.227 ( -4.299 0.462 6.989) 8.218 =================== 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 3/31752 10.0 108.361 112.674 115.984 0.000 0.195 -0.000 3/31752 20.0 8.374 11.131 10.701 0.000 0.283 -0.000 3/31752 30.0 3.035 4.108 4.063 0.000 0.095 -0.000 3/31752 40.0 1.750 2.319 2.353 0.000 0.048 -0.000 3/31752 50.0 1.230 1.594 1.643 0.000 0.031 -0.000 3/31752 60.0 0.959 1.220 1.268 0.000 0.024 -0.000 3/31752 70.0 0.793 0.996 1.039 0.000 0.020 -0.000 3/31752 80.0 0.681 0.847 0.885 0.000 0.017 -0.000 3/31752 90.0 0.600 0.741 0.774 0.000 0.015 -0.000 3/31752 100.0 0.538 0.661 0.690 0.000 0.014 -0.000 3/31752 110.0 0.490 0.598 0.624 0.000 0.012 -0.000 3/31752 120.0 0.450 0.547 0.571 0.000 0.011 -0.000 3/31752 130.0 0.418 0.505 0.527 0.000 0.010 -0.000 3/31752 140.0 0.390 0.470 0.490 0.000 0.010 -0.000 3/31752 150.0 0.367 0.439 0.458 0.000 0.009 -0.000 3/31752 160.0 0.346 0.413 0.430 0.000 0.008 -0.000 3/31752 170.0 0.328 0.389 0.406 0.000 0.008 -0.000 3/31752 180.0 0.312 0.369 0.385 0.000 0.007 -0.000 3/31752 190.0 0.297 0.350 0.366 0.000 0.007 -0.000 3/31752 200.0 0.284 0.334 0.349 0.000 0.006 -0.000 3/31752 210.0 0.273 0.318 0.333 0.000 0.006 -0.000 3/31752 220.0 0.262 0.305 0.319 0.000 0.006 -0.000 3/31752 230.0 0.252 0.292 0.306 0.000 0.005 -0.000 3/31752 240.0 0.243 0.281 0.295 0.000 0.005 -0.000 3/31752 250.0 0.234 0.270 0.284 0.000 0.005 -0.000 3/31752 260.0 0.226 0.260 0.274 0.000 0.005 -0.000 3/31752 270.0 0.219 0.251 0.264 0.000 0.005 -0.000 3/31752 280.0 0.212 0.243 0.255 0.000 0.004 -0.000 3/31752 290.0 0.205 0.235 0.247 0.000 0.004 -0.000 3/31752 300.0 0.199 0.227 0.239 0.000 0.004 -0.000 3/31752 310.0 0.194 0.220 0.232 0.000 0.004 -0.000 3/31752 320.0 0.188 0.214 0.225 0.000 0.004 -0.000 3/31752 330.0 0.183 0.207 0.219 0.000 0.004 -0.000 3/31752 340.0 0.178 0.202 0.213 0.000 0.003 -0.000 3/31752 350.0 0.174 0.196 0.207 0.000 0.003 -0.000 3/31752 360.0 0.169 0.191 0.202 0.000 0.003 -0.000 3/31752 370.0 0.165 0.186 0.197 0.000 0.003 -0.000 3/31752 380.0 0.161 0.181 0.192 0.000 0.003 -0.000 3/31752 390.0 0.157 0.177 0.187 0.000 0.003 -0.000 3/31752 400.0 0.154 0.172 0.183 0.000 0.003 -0.000 3/31752 410.0 0.150 0.168 0.179 0.000 0.003 -0.000 3/31752 420.0 0.147 0.165 0.174 0.000 0.003 -0.000 3/31752 430.0 0.144 0.161 0.171 0.000 0.003 -0.000 3/31752 440.0 0.141 0.157 0.167 0.000 0.003 -0.000 3/31752 450.0 0.138 0.154 0.163 0.000 0.003 -0.000 3/31752 460.0 0.135 0.151 0.160 0.000 0.003 -0.000 3/31752 470.0 0.133 0.148 0.157 0.000 0.002 -0.000 3/31752 480.0 0.130 0.145 0.154 0.000 0.002 -0.000 3/31752 490.0 0.127 0.142 0.151 0.000 0.002 -0.000 3/31752 500.0 0.125 0.139 0.148 0.000 0.002 -0.000 3/31752 510.0 0.123 0.136 0.145 0.000 0.002 -0.000 3/31752 520.0 0.121 0.134 0.142 0.000 0.002 -0.000 3/31752 530.0 0.118 0.131 0.140 0.000 0.002 -0.000 3/31752 540.0 0.116 0.129 0.137 0.000 0.002 -0.000 3/31752 550.0 0.114 0.127 0.135 0.000 0.002 -0.000 3/31752 560.0 0.112 0.124 0.133 0.000 0.002 -0.000 3/31752 570.0 0.111 0.122 0.130 0.000 0.002 -0.000 3/31752 580.0 0.109 0.120 0.128 0.000 0.002 -0.000 3/31752 590.0 0.107 0.118 0.126 0.000 0.002 -0.000 3/31752 600.0 0.105 0.116 0.124 0.000 0.002 -0.000 3/31752 610.0 0.104 0.115 0.122 0.000 0.002 -0.000 3/31752 620.0 0.102 0.113 0.120 0.000 0.002 -0.000 3/31752 630.0 0.101 0.111 0.118 0.000 0.002 -0.000 3/31752 640.0 0.099 0.109 0.116 0.000 0.002 -0.000 3/31752 650.0 0.098 0.108 0.115 0.000 0.002 -0.000 3/31752 660.0 0.096 0.106 0.113 0.000 0.002 -0.000 3/31752 670.0 0.095 0.104 0.111 0.000 0.002 -0.000 3/31752 680.0 0.093 0.103 0.110 0.000 0.002 -0.000 3/31752 690.0 0.092 0.102 0.108 0.000 0.002 -0.000 3/31752 700.0 0.091 0.100 0.107 0.000 0.002 -0.000 3/31752 710.0 0.090 0.099 0.105 0.000 0.002 -0.000 3/31752 720.0 0.088 0.097 0.104 0.000 0.002 -0.000 3/31752 730.0 0.087 0.096 0.103 0.000 0.002 -0.000 3/31752 740.0 0.086 0.095 0.101 0.000 0.002 -0.000 3/31752 750.0 0.085 0.094 0.100 0.000 0.002 -0.000 3/31752 760.0 0.084 0.092 0.099 0.000 0.002 -0.000 3/31752 770.0 0.083 0.091 0.097 0.000 0.002 -0.000 3/31752 780.0 0.082 0.090 0.096 0.000 0.001 -0.000 3/31752 790.0 0.081 0.089 0.095 0.000 0.001 -0.000 3/31752 800.0 0.080 0.088 0.094 0.000 0.001 -0.000 3/31752 810.0 0.079 0.087 0.093 0.000 0.001 -0.000 3/31752 820.0 0.078 0.086 0.092 0.000 0.001 -0.000 3/31752 830.0 0.077 0.085 0.090 0.000 0.001 -0.000 3/31752 840.0 0.076 0.084 0.089 0.000 0.001 -0.000 3/31752 850.0 0.075 0.083 0.088 0.000 0.001 -0.000 3/31752 860.0 0.075 0.082 0.087 0.000 0.001 -0.000 3/31752 870.0 0.074 0.081 0.086 0.000 0.001 -0.000 3/31752 880.0 0.073 0.080 0.085 0.000 0.001 -0.000 3/31752 890.0 0.072 0.079 0.084 0.000 0.001 -0.000 3/31752 900.0 0.071 0.078 0.084 0.000 0.001 -0.000 3/31752 910.0 0.071 0.077 0.083 0.000 0.001 -0.000 3/31752 920.0 0.070 0.076 0.082 0.000 0.001 -0.000 3/31752 930.0 0.069 0.076 0.081 0.000 0.001 -0.000 3/31752 940.0 0.068 0.075 0.080 0.000 0.001 -0.000 3/31752 950.0 0.068 0.074 0.079 0.000 0.001 -0.000 3/31752 960.0 0.067 0.073 0.078 0.000 0.001 -0.000 3/31752 970.0 0.066 0.073 0.078 0.000 0.001 -0.000 3/31752 980.0 0.066 0.072 0.077 0.000 0.001 -0.000 3/31752 990.0 0.065 0.071 0.076 0.000 0.001 -0.000 3/31752 1000.0 0.064 0.070 0.075 0.000 0.001 -0.000 3/31752 Thermal conductivity related properties were written into "kappa-m776.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:21:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|