----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 17:17:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 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 8.349678616033616 -4.558210785000000 0.000000000000000 b 8.349678616033616 4.558210785000000 0.000000000000000 c -5.170679174181648 0.000000000000000 7.757583671681582 Atomic positions (fractional): *1 Y 0.03664906203933 0.96335093796067 0.25000000000000 88.906 2 Y 0.96335093796068 0.03664906203932 0.75000000000000 88.906 *3 Ag 0.46567814455213 0.23639102829208 0.22637800608195 107.868 4 Ag 0.76360897170792 0.53432185544788 0.27362199391805 107.868 5 Ag 0.53432185544788 0.76360897170792 0.77362199391805 107.868 6 Ag 0.23639102829208 0.46567814455212 0.72637800608195 107.868 *7 Ag 0.42474950756866 0.57525049243134 0.25000000000000 107.868 8 Ag 0.57525049243134 0.42474950756866 0.75000000000000 107.868 *9 P 0.65812758694914 0.14430608570628 0.93214509327053 30.974 10 P 0.85569391429372 0.34187241305086 0.56785490672947 30.974 11 P 0.34187241305086 0.85569391429372 0.06785490672946 30.974 12 P 0.14430608570628 0.65812758694914 0.43214509327054 30.974 *13 S 0.13091824666411 0.78038269051757 0.91843555092530 32.065 *14 S 0.89979035142566 0.37629606462172 0.81760195838546 32.065 *15 S 0.57827359624468 0.67448733896047 0.02294023061626 32.065 16 S 0.37629606462171 0.89979035142566 0.31760195838546 32.065 *17 S 0.07885607390115 0.26209211474021 0.51979147515900 32.065 18 S 0.86908175333589 0.21961730948243 0.08156444907470 32.065 19 S 0.73790788525979 0.92114392609885 0.98020852484100 32.065 20 S 0.92114392609885 0.73790788525979 0.48020852484100 32.065 21 S 0.26209211474021 0.07885607390115 0.01979147515900 32.065 22 S 0.78038269051757 0.13091824666411 0.41843555092530 32.065 23 S 0.62370393537829 0.10020964857434 0.68239804161454 32.065 24 S 0.10020964857434 0.62370393537828 0.18239804161454 32.065 25 S 0.42172640375532 0.32551266103953 0.97705976938374 32.065 26 S 0.67448733896047 0.57827359624468 0.52294023061626 32.065 27 S 0.21961730948243 0.86908175333589 0.58156444907470 32.065 28 S 0.32551266103953 0.42172640375532 0.47705976938374 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 16.699357232067232 0.000000000000000 0.000000000000000 b 0.000000000000000 9.116421570000000 0.000000000000000 c -5.170679174181648 0.000000000000000 7.757583671681582 Atomic positions (fractional): *1 Y 0.00000000000000 0.96335093796067 0.25000000000000 88.906 > 1 2 Y 0.00000000000000 0.03664906203932 0.75000000000000 88.906 > 2 3 Y 0.50000000000000 0.46335093796067 0.25000000000000 88.906 > 1 4 Y 0.50000000000000 0.53664906203933 0.75000000000000 88.906 > 2 *5 Ag 0.85103458642210 0.38535644186998 0.22637800608195 107.868 > 3 6 Ag 0.64896541357790 0.88535644186998 0.27362199391805 107.868 > 4 7 Ag 0.64896541357790 0.11464355813002 0.77362199391805 107.868 > 5 8 Ag 0.85103458642210 0.61464355813002 0.72637800608195 107.868 > 6 *9 Ag 0.00000000000000 0.57525049243134 0.25000000000000 107.868 > 7 10 Ag 0.00000000000000 0.42474950756866 0.75000000000000 107.868 > 8 11 Ag 0.35103458642210 0.88535644186998 0.22637800608195 107.868 > 3 12 Ag 0.14896541357790 0.38535644186998 0.27362199391805 107.868 > 4 13 Ag 0.14896541357790 0.61464355813002 0.77362199391805 107.868 > 5 14 Ag 0.35103458642210 0.11464355813002 0.72637800608195 107.868 > 6 15 Ag 0.50000000000000 0.07525049243134 0.25000000000000 107.868 > 7 16 Ag 0.50000000000000 0.92474950756866 0.75000000000000 107.868 > 8 *17 P 0.90121683632771 0.24308924937857 0.93214509327053 30.974 > 9 18 P 0.59878316367229 0.74308924937857 0.56785490672947 30.974 > 10 19 P 0.59878316367229 0.25691075062143 0.06785490672946 30.974 > 11 20 P 0.90121683632771 0.75691075062143 0.43214509327054 30.974 > 12 21 P 0.40121683632771 0.74308924937857 0.93214509327053 30.974 > 9 22 P 0.09878316367229 0.24308924937857 0.56785490672947 30.974 > 10 23 P 0.09878316367229 0.75691075062143 0.06785490672946 30.974 > 11 24 P 0.40121683632771 0.25691075062143 0.43214509327054 30.974 > 12 *25 S 0.95565046859084 0.82473222192673 0.91843555092530 32.065 > 13 *26 S 0.63804320802369 0.73825285659802 0.81760195838546 32.065 > 14 *27 S 0.62638046760257 0.04810687135789 0.02294023061626 32.065 > 15 28 S 0.63804320802369 0.26174714340198 0.31760195838546 32.065 > 16 *29 S 0.67047409432068 0.59161802041953 0.51979147515900 32.065 > 17 30 S 0.54434953140916 0.67526777807327 0.08156444907470 32.065 > 18 31 S 0.82952590567932 0.09161802041953 0.98020852484100 32.065 > 19 32 S 0.82952590567932 0.90838197958047 0.48020852484100 32.065 > 20 33 S 0.67047409432068 0.40838197958047 0.01979147515900 32.065 > 21 34 S 0.95565046859084 0.17526777807327 0.41843555092530 32.065 > 22 35 S 0.86195679197631 0.23825285659803 0.68239804161454 32.065 > 23 36 S 0.86195679197631 0.76174714340198 0.18239804161454 32.065 > 24 37 S 0.87361953239743 0.45189312864211 0.97705976938374 32.065 > 25 38 S 0.62638046760257 0.95189312864211 0.52294023061626 32.065 > 26 39 S 0.54434953140916 0.32473222192673 0.58156444907470 32.065 > 27 40 S 0.87361953239743 0.54810687135789 0.47705976938374 32.065 > 28 41 S 0.45565046859084 0.32473222192673 0.91843555092530 32.065 > 13 42 S 0.13804320802369 0.23825285659803 0.81760195838546 32.065 > 14 43 S 0.12638046760257 0.54810687135789 0.02294023061626 32.065 > 15 44 S 0.13804320802369 0.76174714340198 0.31760195838546 32.065 > 16 45 S 0.17047409432068 0.09161802041953 0.51979147515900 32.065 > 17 46 S 0.04434953140916 0.17526777807327 0.08156444907470 32.065 > 18 47 S 0.32952590567932 0.59161802041953 0.98020852484100 32.065 > 19 48 S 0.32952590567932 0.40838197958047 0.48020852484100 32.065 > 20 49 S 0.17047409432068 0.90838197958047 0.01979147515900 32.065 > 21 50 S 0.45565046859084 0.67526777807327 0.41843555092530 32.065 > 22 51 S 0.36195679197631 0.73825285659802 0.68239804161454 32.065 > 23 52 S 0.36195679197631 0.26174714340198 0.18239804161454 32.065 > 24 53 S 0.37361953239743 0.95189312864211 0.97705976938374 32.065 > 25 54 S 0.12638046760257 0.45189312864211 0.52294023061626 32.065 > 26 55 S 0.04434953140916 0.82473222192673 0.58156444907470 32.065 > 27 56 S 0.37361953239743 0.04810687135789 0.47705976938374 32.065 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.699357232067232 0.000000000000000 0.000000000000000 b 0.000000000000000 18.232843140000000 0.000000000000000 c -5.170679174181648 0.000000000000000 7.757583671681582 Atomic positions (fractional): *1 Y 0.00000000000000 0.48167546898034 0.25000000000000 88.906 > 1 2 Y 0.00000000000000 0.98167546898034 0.25000000000000 88.906 > 1 3 Y 0.00000000000000 0.01832453101966 0.75000000000000 88.906 > 2 4 Y 0.00000000000000 0.51832453101966 0.75000000000000 88.906 > 2 5 Y 0.50000000000000 0.23167546898034 0.25000000000000 88.906 > 1 6 Y 0.50000000000000 0.73167546898034 0.25000000000000 88.906 > 1 7 Y 0.50000000000000 0.26832453101966 0.75000000000000 88.906 > 2 8 Y 0.50000000000000 0.76832453101966 0.75000000000000 88.906 > 2 *9 Ag 0.85103458642210 0.19267822093499 0.22637800608195 107.868 > 3 10 Ag 0.85103458642210 0.69267822093499 0.22637800608195 107.868 > 3 11 Ag 0.64896541357790 0.44267822093499 0.27362199391805 107.868 > 4 12 Ag 0.64896541357790 0.94267822093499 0.27362199391805 107.868 > 4 13 Ag 0.64896541357790 0.05732177906501 0.77362199391805 107.868 > 5 14 Ag 0.64896541357790 0.55732177906501 0.77362199391805 107.868 > 5 15 Ag 0.85103458642210 0.30732177906501 0.72637800608195 107.868 > 6 16 Ag 0.85103458642210 0.80732177906501 0.72637800608195 107.868 > 6 *17 Ag 0.00000000000000 0.28762524621567 0.25000000000000 107.868 > 7 18 Ag 0.00000000000000 0.78762524621567 0.25000000000000 107.868 > 7 19 Ag 0.00000000000000 0.21237475378433 0.75000000000000 107.868 > 8 20 Ag 0.00000000000000 0.71237475378433 0.75000000000000 107.868 > 8 21 Ag 0.35103458642210 0.44267822093499 0.22637800608195 107.868 > 3 22 Ag 0.35103458642210 0.94267822093499 0.22637800608195 107.868 > 3 23 Ag 0.14896541357790 0.19267822093499 0.27362199391805 107.868 > 4 24 Ag 0.14896541357790 0.69267822093499 0.27362199391805 107.868 > 4 25 Ag 0.14896541357790 0.30732177906501 0.77362199391805 107.868 > 5 26 Ag 0.14896541357790 0.80732177906501 0.77362199391805 107.868 > 5 27 Ag 0.35103458642210 0.05732177906501 0.72637800608195 107.868 > 6 28 Ag 0.35103458642210 0.55732177906501 0.72637800608195 107.868 > 6 29 Ag 0.50000000000000 0.03762524621567 0.25000000000000 107.868 > 7 30 Ag 0.50000000000000 0.53762524621567 0.25000000000000 107.868 > 7 31 Ag 0.50000000000000 0.46237475378433 0.75000000000000 107.868 > 8 32 Ag 0.50000000000000 0.96237475378433 0.75000000000000 107.868 > 8 *33 P 0.90121683632771 0.12154462468928 0.93214509327053 30.974 > 9 34 P 0.90121683632771 0.62154462468928 0.93214509327053 30.974 > 9 35 P 0.59878316367229 0.37154462468928 0.56785490672947 30.974 > 10 36 P 0.59878316367229 0.87154462468928 0.56785490672947 30.974 > 10 37 P 0.59878316367229 0.12845537531072 0.06785490672946 30.974 > 11 38 P 0.59878316367229 0.62845537531072 0.06785490672946 30.974 > 11 39 P 0.90121683632771 0.37845537531072 0.43214509327054 30.974 > 12 40 P 0.90121683632771 0.87845537531072 0.43214509327054 30.974 > 12 41 P 0.40121683632771 0.37154462468928 0.93214509327053 30.974 > 9 42 P 0.40121683632771 0.87154462468928 0.93214509327053 30.974 > 9 43 P 0.09878316367229 0.12154462468928 0.56785490672947 30.974 > 10 44 P 0.09878316367229 0.62154462468928 0.56785490672947 30.974 > 10 45 P 0.09878316367229 0.37845537531072 0.06785490672946 30.974 > 11 46 P 0.09878316367229 0.87845537531072 0.06785490672946 30.974 > 11 47 P 0.40121683632771 0.12845537531072 0.43214509327054 30.974 > 12 48 P 0.40121683632771 0.62845537531072 0.43214509327054 30.974 > 12 *49 S 0.95565046859084 0.41236611096337 0.91843555092530 32.065 > 13 50 S 0.95565046859084 0.91236611096337 0.91843555092530 32.065 > 13 *51 S 0.63804320802369 0.36912642829901 0.81760195838546 32.065 > 14 52 S 0.63804320802369 0.86912642829901 0.81760195838546 32.065 > 14 *53 S 0.62638046760257 0.02405343567895 0.02294023061626 32.065 > 15 54 S 0.62638046760257 0.52405343567895 0.02294023061626 32.065 > 15 55 S 0.63804320802369 0.13087357170099 0.31760195838546 32.065 > 16 56 S 0.63804320802369 0.63087357170099 0.31760195838546 32.065 > 16 *57 S 0.67047409432068 0.29580901020977 0.51979147515900 32.065 > 17 58 S 0.67047409432068 0.79580901020977 0.51979147515900 32.065 > 17 59 S 0.54434953140916 0.33763388903663 0.08156444907470 32.065 > 18 60 S 0.54434953140916 0.83763388903663 0.08156444907470 32.065 > 18 61 S 0.82952590567932 0.04580901020977 0.98020852484100 32.065 > 19 62 S 0.82952590567932 0.54580901020977 0.98020852484100 32.065 > 19 63 S 0.82952590567932 0.45419098979023 0.48020852484100 32.065 > 20 64 S 0.82952590567932 0.95419098979023 0.48020852484100 32.065 > 20 65 S 0.67047409432068 0.20419098979023 0.01979147515900 32.065 > 21 66 S 0.67047409432068 0.70419098979023 0.01979147515900 32.065 > 21 67 S 0.95565046859084 0.08763388903663 0.41843555092530 32.065 > 22 68 S 0.95565046859084 0.58763388903663 0.41843555092530 32.065 > 22 69 S 0.86195679197631 0.11912642829901 0.68239804161454 32.065 > 23 70 S 0.86195679197631 0.61912642829901 0.68239804161454 32.065 > 23 71 S 0.86195679197631 0.38087357170099 0.18239804161454 32.065 > 24 72 S 0.86195679197631 0.88087357170099 0.18239804161454 32.065 > 24 73 S 0.87361953239743 0.22594656432105 0.97705976938374 32.065 > 25 74 S 0.87361953239743 0.72594656432105 0.97705976938374 32.065 > 25 75 S 0.62638046760257 0.47594656432105 0.52294023061626 32.065 > 26 76 S 0.62638046760257 0.97594656432105 0.52294023061626 32.065 > 26 77 S 0.54434953140916 0.16236611096337 0.58156444907470 32.065 > 27 78 S 0.54434953140916 0.66236611096337 0.58156444907470 32.065 > 27 79 S 0.87361953239743 0.27405343567895 0.47705976938374 32.065 > 28 80 S 0.87361953239743 0.77405343567895 0.47705976938374 32.065 > 28 81 S 0.45565046859084 0.16236611096337 0.91843555092530 32.065 > 13 82 S 0.45565046859084 0.66236611096337 0.91843555092530 32.065 > 13 83 S 0.13804320802369 0.11912642829901 0.81760195838546 32.065 > 14 84 S 0.13804320802369 0.61912642829901 0.81760195838546 32.065 > 14 85 S 0.12638046760257 0.27405343567895 0.02294023061626 32.065 > 15 86 S 0.12638046760257 0.77405343567895 0.02294023061626 32.065 > 15 87 S 0.13804320802369 0.38087357170099 0.31760195838546 32.065 > 16 88 S 0.13804320802369 0.88087357170099 0.31760195838546 32.065 > 16 89 S 0.17047409432068 0.04580901020977 0.51979147515900 32.065 > 17 90 S 0.17047409432068 0.54580901020977 0.51979147515900 32.065 > 17 91 S 0.04434953140916 0.08763388903663 0.08156444907470 32.065 > 18 92 S 0.04434953140916 0.58763388903663 0.08156444907470 32.065 > 18 93 S 0.32952590567932 0.29580901020977 0.98020852484100 32.065 > 19 94 S 0.32952590567932 0.79580901020977 0.98020852484100 32.065 > 19 95 S 0.32952590567932 0.20419098979023 0.48020852484100 32.065 > 20 96 S 0.32952590567932 0.70419098979023 0.48020852484100 32.065 > 20 97 S 0.17047409432068 0.45419098979023 0.01979147515900 32.065 > 21 98 S 0.17047409432068 0.95419098979023 0.01979147515900 32.065 > 21 99 S 0.45565046859084 0.33763388903663 0.41843555092530 32.065 > 22 100 S 0.45565046859084 0.83763388903663 0.41843555092530 32.065 > 22 101 S 0.36195679197631 0.36912642829901 0.68239804161454 32.065 > 23 102 S 0.36195679197631 0.86912642829901 0.68239804161454 32.065 > 23 103 S 0.36195679197631 0.13087357170099 0.18239804161454 32.065 > 24 104 S 0.36195679197631 0.63087357170099 0.18239804161454 32.065 > 24 105 S 0.37361953239743 0.47594656432105 0.97705976938374 32.065 > 25 106 S 0.37361953239743 0.97594656432105 0.97705976938374 32.065 > 25 107 S 0.12638046760257 0.22594656432105 0.52294023061626 32.065 > 26 108 S 0.12638046760257 0.72594656432105 0.52294023061626 32.065 > 26 109 S 0.04434953140916 0.41236611096337 0.58156444907470 32.065 > 27 110 S 0.04434953140916 0.91236611096337 0.58156444907470 32.065 > 27 111 S 0.37361953239743 0.02405343567895 0.47705976938374 32.065 > 28 112 S 0.37361953239743 0.52405343567895 0.47705976938374 32.065 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.5074980 0.0000000 -0.4589355 0.0000000 7.1742714 0.0000000 -0.4589499 0.0000000 6.7610575 -------------------------- Born effective charges -------------------------- 1 Y 2.6444320 0.0000000 -0.3978344 -0.0000000 4.1576005 0.0000000 -0.8423761 0.0000000 3.1943568 2 Y 2.6444320 0.0000000 -0.3978344 -0.0000000 4.1576005 0.0000000 -0.8423761 0.0000000 3.1943568 3 Ag 1.1424067 -0.1203911 -0.0110432 -0.0420456 0.9875338 0.1994241 0.0086697 0.1724890 1.2566452 4 Ag 1.1424067 0.1203911 -0.0110432 0.0420456 0.9875338 -0.1994241 0.0086697 -0.1724890 1.2566452 5 Ag 1.1424067 -0.1203911 -0.0110432 -0.0420456 0.9875338 0.1994241 0.0086697 0.1724890 1.2566452 6 Ag 1.1424067 0.1203911 -0.0110432 0.0420456 0.9875338 -0.1994241 0.0086697 -0.1724890 1.2566452 7 Ag 0.8855340 0.0000000 0.1558877 -0.0000000 0.9483581 0.0000000 -0.1562639 0.0000000 0.7691495 8 Ag 0.8855340 0.0000000 0.1558877 -0.0000000 0.9483581 0.0000000 -0.1562639 0.0000000 0.7691495 9 P 2.4898670 -0.0747465 -1.2133584 -0.2312211 3.1662237 -0.3802629 -0.7055545 0.3260671 2.0810552 10 P 2.4898670 0.0747465 -1.2133584 0.2312211 3.1662237 0.3802629 -0.7055545 -0.3260671 2.0810552 11 P 2.4898670 -0.0747465 -1.2133584 -0.2312211 3.1662237 -0.3802629 -0.7055545 0.3260671 2.0810552 12 P 2.4898670 0.0747465 -1.2133584 0.2312211 3.1662237 0.3802629 -0.7055545 -0.3260671 2.0810552 13 S -1.5061778 0.0546442 0.0804953 -0.1327626 -1.3949710 0.1616885 0.0148293 0.3698661 -1.5434784 14 S -1.2954823 -0.3280876 0.8353385 -0.3599691 -1.3894738 -0.0273494 0.8442251 0.1756647 -1.6634882 15 S -1.0779794 0.4274276 0.2944677 0.4958931 -2.2577229 -0.1129295 0.3251623 -0.3836401 -0.8918148 16 S -1.2954823 0.3280876 0.8353385 0.3599691 -1.3894738 0.0273494 0.8442251 -0.1756647 -1.6634882 17 S -1.5176171 0.3648831 0.1350735 0.3888619 -1.6645691 -0.4164481 0.0119880 -0.2488046 -1.2206722 18 S -1.5061778 0.0546442 0.0804953 -0.1327626 -1.3949710 0.1616885 0.0148293 0.3698661 -1.5434784 19 S -1.5176171 -0.3648831 0.1350735 -0.3888619 -1.6645691 0.4164481 0.0119880 0.2488046 -1.2206722 20 S -1.5176171 0.3648831 0.1350735 0.3888619 -1.6645691 -0.4164481 0.0119880 -0.2488046 -1.2206722 21 S -1.5176171 -0.3648831 0.1350735 -0.3888619 -1.6645691 0.4164481 0.0119880 0.2488046 -1.2206722 22 S -1.5061778 -0.0546442 0.0804953 0.1327626 -1.3949710 -0.1616885 0.0148293 -0.3698661 -1.5434784 23 S -1.2954823 0.3280876 0.8353385 0.3599691 -1.3894738 0.0273494 0.8442251 -0.1756647 -1.6634882 24 S -1.2954823 -0.3280876 0.8353385 -0.3599691 -1.3894738 -0.0273494 0.8442251 0.1756647 -1.6634882 25 S -1.0779794 0.4274276 0.2944677 0.4958931 -2.2577229 -0.1129295 0.3251623 -0.3836401 -0.8918148 26 S -1.0779794 -0.4274276 0.2944677 -0.4958931 -2.2577229 0.1129295 0.3251623 0.3836401 -0.8918148 27 S -1.5061778 -0.0546442 0.0804953 0.1327626 -1.3949710 -0.1616885 0.0148293 -0.3698661 -1.5434784 28 S -1.0779794 -0.4274276 0.2944677 -0.4958931 -2.2577229 0.1129295 0.3251623 0.3836401 -0.8918148 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 17004/17004 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3662 Number of blocks in projector: 3662 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (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: 800 / 800 (1) 291 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 257 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 257 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 442 Use standard eigh solver. Tree of FC basis block matrices: - (3662, 3599), data: False |-- (442, 434), data: True |-- (442, 434), data: True |-- (442, 434), data: True |-- (768, 756), data: False |-- (768, 11), data: (768, 23) @ (23, 11) |-- (268, 257), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (768, 756), data: False |-- (768, 11), data: (768, 23) @ (23, 11) |-- (268, 257), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (800, 785), data: False |-- (800, 9), data: (800, 24) @ (24, 9) |-- (300, 291), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 1.090 Solver_block: 200 / 880 - Time: 0.930 Solver_block: 300 / 880 - Time: 0.941 Solver_block: 400 / 880 - Time: 0.943 Solver_block: 500 / 880 - Time: 0.929 Solver_block: 600 / 880 - Time: 0.916 Solver_block: 700 / 880 - Time: 0.926 Solver_block: 800 / 880 - Time: 0.936 Solver_block: 880 / 880 - Time: 0.767 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.554 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xz) 0.00000000 (xz) Permutation basis: 336/336 Permutation basis: 17004/17004 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3662 Number of blocks in projector: 3662 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (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: 800 / 800 (1) 291 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 257 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 257 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 442 Use standard eigh solver. Tree of FC basis block matrices: - (3662, 3599), data: False |-- (442, 434), data: True |-- (442, 434), data: True |-- (442, 434), data: True |-- (768, 756), data: False |-- (768, 11), data: (768, 23) @ (23, 11) |-- (268, 257), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (768, 756), data: False |-- (768, 11), data: (768, 23) @ (23, 11) |-- (268, 257), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (800, 785), data: False |-- (800, 9), data: (800, 24) @ (24, 9) |-- (300, 291), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xz) 0.00000000 (xz) 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 17:17:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:17:50]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: 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 8.349678616033616 -4.558210785000000 0.000000000000000 b 8.349678616033616 4.558210785000000 0.000000000000000 c -5.170679174181648 0.000000000000000 7.757583671681582 Atomic positions (fractional): 1 Y 0.03664906203933 0.96335093796067 0.25000000000000 88.906 2 Y 0.96335093796068 0.03664906203932 0.75000000000000 88.906 3 Ag 0.46567814455213 0.23639102829208 0.22637800608195 107.868 4 Ag 0.76360897170792 0.53432185544788 0.27362199391805 107.868 5 Ag 0.53432185544788 0.76360897170792 0.77362199391805 107.868 6 Ag 0.23639102829208 0.46567814455212 0.72637800608195 107.868 7 Ag 0.42474950756866 0.57525049243134 0.25000000000000 107.868 8 Ag 0.57525049243134 0.42474950756866 0.75000000000000 107.868 9 P 0.65812758694914 0.14430608570628 0.93214509327053 30.974 10 P 0.85569391429372 0.34187241305086 0.56785490672947 30.974 11 P 0.34187241305086 0.85569391429372 0.06785490672946 30.974 12 P 0.14430608570628 0.65812758694914 0.43214509327054 30.974 13 S 0.13091824666411 0.78038269051757 0.91843555092530 32.065 14 S 0.89979035142566 0.37629606462172 0.81760195838546 32.065 15 S 0.57827359624468 0.67448733896047 0.02294023061626 32.065 16 S 0.37629606462171 0.89979035142566 0.31760195838546 32.065 17 S 0.07885607390115 0.26209211474021 0.51979147515900 32.065 18 S 0.86908175333589 0.21961730948243 0.08156444907470 32.065 19 S 0.73790788525979 0.92114392609885 0.98020852484100 32.065 20 S 0.92114392609885 0.73790788525979 0.48020852484100 32.065 21 S 0.26209211474021 0.07885607390115 0.01979147515900 32.065 22 S 0.78038269051757 0.13091824666411 0.41843555092530 32.065 23 S 0.62370393537829 0.10020964857434 0.68239804161454 32.065 24 S 0.10020964857434 0.62370393537828 0.18239804161454 32.065 25 S 0.42172640375532 0.32551266103953 0.97705976938374 32.065 26 S 0.67448733896047 0.57827359624468 0.52294023061626 32.065 27 S 0.21961730948243 0.86908175333589 0.58156444907470 32.065 28 S 0.32551266103953 0.42172640375532 0.47705976938374 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.699357232067232 0.000000000000000 0.000000000000000 b 0.000000000000000 18.232843140000000 0.000000000000000 c -5.170679174181648 0.000000000000000 7.757583671681582 Atomic positions (fractional): 1 Y 0.00000000000000 0.48167546898034 0.25000000000000 88.906 > 1 2 Y 0.00000000000000 0.98167546898034 0.25000000000000 88.906 > 1 3 Y 0.00000000000000 0.01832453101966 0.75000000000000 88.906 > 3 4 Y 0.00000000000000 0.51832453101966 0.75000000000000 88.906 > 3 5 Y 0.50000000000000 0.23167546898034 0.25000000000000 88.906 > 1 6 Y 0.50000000000000 0.73167546898034 0.25000000000000 88.906 > 1 7 Y 0.50000000000000 0.26832453101966 0.75000000000000 88.906 > 3 8 Y 0.50000000000000 0.76832453101966 0.75000000000000 88.906 > 3 9 Ag 0.85103458642210 0.19267822093499 0.22637800608195 107.868 > 9 10 Ag 0.85103458642210 0.69267822093499 0.22637800608195 107.868 > 9 11 Ag 0.64896541357790 0.44267822093499 0.27362199391805 107.868 > 11 12 Ag 0.64896541357790 0.94267822093499 0.27362199391805 107.868 > 11 13 Ag 0.64896541357790 0.05732177906501 0.77362199391805 107.868 > 13 14 Ag 0.64896541357790 0.55732177906501 0.77362199391805 107.868 > 13 15 Ag 0.85103458642210 0.30732177906501 0.72637800608195 107.868 > 15 16 Ag 0.85103458642210 0.80732177906501 0.72637800608195 107.868 > 15 17 Ag 0.00000000000000 0.28762524621567 0.25000000000000 107.868 > 17 18 Ag 0.00000000000000 0.78762524621567 0.25000000000000 107.868 > 17 19 Ag 0.00000000000000 0.21237475378433 0.75000000000000 107.868 > 19 20 Ag 0.00000000000000 0.71237475378433 0.75000000000000 107.868 > 19 21 Ag 0.35103458642210 0.44267822093499 0.22637800608195 107.868 > 9 22 Ag 0.35103458642210 0.94267822093499 0.22637800608195 107.868 > 9 23 Ag 0.14896541357790 0.19267822093499 0.27362199391805 107.868 > 11 24 Ag 0.14896541357790 0.69267822093499 0.27362199391805 107.868 > 11 25 Ag 0.14896541357790 0.30732177906501 0.77362199391805 107.868 > 13 26 Ag 0.14896541357790 0.80732177906501 0.77362199391805 107.868 > 13 27 Ag 0.35103458642210 0.05732177906501 0.72637800608195 107.868 > 15 28 Ag 0.35103458642210 0.55732177906501 0.72637800608195 107.868 > 15 29 Ag 0.50000000000000 0.03762524621567 0.25000000000000 107.868 > 17 30 Ag 0.50000000000000 0.53762524621567 0.25000000000000 107.868 > 17 31 Ag 0.50000000000000 0.46237475378433 0.75000000000000 107.868 > 19 32 Ag 0.50000000000000 0.96237475378433 0.75000000000000 107.868 > 19 33 P 0.90121683632771 0.12154462468928 0.93214509327053 30.974 > 33 34 P 0.90121683632771 0.62154462468928 0.93214509327053 30.974 > 33 35 P 0.59878316367229 0.37154462468928 0.56785490672947 30.974 > 35 36 P 0.59878316367229 0.87154462468928 0.56785490672947 30.974 > 35 37 P 0.59878316367229 0.12845537531072 0.06785490672946 30.974 > 37 38 P 0.59878316367229 0.62845537531072 0.06785490672946 30.974 > 37 39 P 0.90121683632771 0.37845537531072 0.43214509327054 30.974 > 39 40 P 0.90121683632771 0.87845537531072 0.43214509327054 30.974 > 39 41 P 0.40121683632771 0.37154462468928 0.93214509327053 30.974 > 33 42 P 0.40121683632771 0.87154462468928 0.93214509327053 30.974 > 33 43 P 0.09878316367229 0.12154462468928 0.56785490672947 30.974 > 35 44 P 0.09878316367229 0.62154462468928 0.56785490672947 30.974 > 35 45 P 0.09878316367229 0.37845537531072 0.06785490672946 30.974 > 37 46 P 0.09878316367229 0.87845537531072 0.06785490672946 30.974 > 37 47 P 0.40121683632771 0.12845537531072 0.43214509327054 30.974 > 39 48 P 0.40121683632771 0.62845537531072 0.43214509327054 30.974 > 39 49 S 0.95565046859084 0.41236611096337 0.91843555092530 32.065 > 49 50 S 0.95565046859084 0.91236611096337 0.91843555092530 32.065 > 49 51 S 0.63804320802369 0.36912642829901 0.81760195838546 32.065 > 51 52 S 0.63804320802369 0.86912642829901 0.81760195838546 32.065 > 51 53 S 0.62638046760257 0.02405343567895 0.02294023061626 32.065 > 53 54 S 0.62638046760257 0.52405343567895 0.02294023061626 32.065 > 53 55 S 0.63804320802369 0.13087357170099 0.31760195838546 32.065 > 55 56 S 0.63804320802369 0.63087357170099 0.31760195838546 32.065 > 55 57 S 0.67047409432068 0.29580901020977 0.51979147515900 32.065 > 57 58 S 0.67047409432068 0.79580901020977 0.51979147515900 32.065 > 57 59 S 0.54434953140916 0.33763388903663 0.08156444907470 32.065 > 59 60 S 0.54434953140916 0.83763388903663 0.08156444907470 32.065 > 59 61 S 0.82952590567932 0.04580901020977 0.98020852484100 32.065 > 61 62 S 0.82952590567932 0.54580901020977 0.98020852484100 32.065 > 61 63 S 0.82952590567932 0.45419098979023 0.48020852484100 32.065 > 63 64 S 0.82952590567932 0.95419098979023 0.48020852484100 32.065 > 63 65 S 0.67047409432068 0.20419098979023 0.01979147515900 32.065 > 65 66 S 0.67047409432068 0.70419098979023 0.01979147515900 32.065 > 65 67 S 0.95565046859084 0.08763388903663 0.41843555092530 32.065 > 67 68 S 0.95565046859084 0.58763388903663 0.41843555092530 32.065 > 67 69 S 0.86195679197631 0.11912642829901 0.68239804161454 32.065 > 69 70 S 0.86195679197631 0.61912642829901 0.68239804161454 32.065 > 69 71 S 0.86195679197631 0.38087357170099 0.18239804161454 32.065 > 71 72 S 0.86195679197631 0.88087357170099 0.18239804161454 32.065 > 71 73 S 0.87361953239743 0.22594656432105 0.97705976938374 32.065 > 73 74 S 0.87361953239743 0.72594656432105 0.97705976938374 32.065 > 73 75 S 0.62638046760257 0.47594656432105 0.52294023061626 32.065 > 75 76 S 0.62638046760257 0.97594656432105 0.52294023061626 32.065 > 75 77 S 0.54434953140916 0.16236611096337 0.58156444907470 32.065 > 77 78 S 0.54434953140916 0.66236611096337 0.58156444907470 32.065 > 77 79 S 0.87361953239743 0.27405343567895 0.47705976938374 32.065 > 79 80 S 0.87361953239743 0.77405343567895 0.47705976938374 32.065 > 79 81 S 0.45565046859084 0.16236611096337 0.91843555092530 32.065 > 49 82 S 0.45565046859084 0.66236611096337 0.91843555092530 32.065 > 49 83 S 0.13804320802369 0.11912642829901 0.81760195838546 32.065 > 51 84 S 0.13804320802369 0.61912642829901 0.81760195838546 32.065 > 51 85 S 0.12638046760257 0.27405343567895 0.02294023061626 32.065 > 53 86 S 0.12638046760257 0.77405343567895 0.02294023061626 32.065 > 53 87 S 0.13804320802369 0.38087357170099 0.31760195838546 32.065 > 55 88 S 0.13804320802369 0.88087357170099 0.31760195838546 32.065 > 55 89 S 0.17047409432068 0.04580901020977 0.51979147515900 32.065 > 57 90 S 0.17047409432068 0.54580901020977 0.51979147515900 32.065 > 57 91 S 0.04434953140916 0.08763388903663 0.08156444907470 32.065 > 59 92 S 0.04434953140916 0.58763388903663 0.08156444907470 32.065 > 59 93 S 0.32952590567932 0.29580901020977 0.98020852484100 32.065 > 61 94 S 0.32952590567932 0.79580901020977 0.98020852484100 32.065 > 61 95 S 0.32952590567932 0.20419098979023 0.48020852484100 32.065 > 63 96 S 0.32952590567932 0.70419098979023 0.48020852484100 32.065 > 63 97 S 0.17047409432068 0.45419098979023 0.01979147515900 32.065 > 65 98 S 0.17047409432068 0.95419098979023 0.01979147515900 32.065 > 65 99 S 0.45565046859084 0.33763388903663 0.41843555092530 32.065 > 67 100 S 0.45565046859084 0.83763388903663 0.41843555092530 32.065 > 67 101 S 0.36195679197631 0.36912642829901 0.68239804161454 32.065 > 69 102 S 0.36195679197631 0.86912642829901 0.68239804161454 32.065 > 69 103 S 0.36195679197631 0.13087357170099 0.18239804161454 32.065 > 71 104 S 0.36195679197631 0.63087357170099 0.18239804161454 32.065 > 71 105 S 0.37361953239743 0.47594656432105 0.97705976938374 32.065 > 73 106 S 0.37361953239743 0.97594656432105 0.97705976938374 32.065 > 73 107 S 0.12638046760257 0.22594656432105 0.52294023061626 32.065 > 75 108 S 0.12638046760257 0.72594656432105 0.52294023061626 32.065 > 75 109 S 0.04434953140916 0.41236611096337 0.58156444907470 32.065 > 77 110 S 0.04434953140916 0.91236611096337 0.58156444907470 32.065 > 77 111 S 0.37361953239743 0.02405343567895 0.47705976938374 32.065 > 79 112 S 0.37361953239743 0.52405343567895 0.47705976938374 32.065 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.5074980 0.0000000 -0.4589355 0.0000000 7.1742714 0.0000000 -0.4589499 0.0000000 6.7610575 -------------------------- Born effective charges -------------------------- 1 Y 2.6444320 0.0000000 -0.3978344 -0.0000000 4.1576005 0.0000000 -0.8423761 0.0000000 3.1943568 2 Y 2.6444320 0.0000000 -0.3978344 -0.0000000 4.1576005 0.0000000 -0.8423761 0.0000000 3.1943568 3 Ag 1.1424067 -0.1203911 -0.0110432 -0.0420456 0.9875338 0.1994241 0.0086697 0.1724890 1.2566452 4 Ag 1.1424067 0.1203911 -0.0110432 0.0420456 0.9875338 -0.1994241 0.0086697 -0.1724890 1.2566452 5 Ag 1.1424067 -0.1203911 -0.0110432 -0.0420456 0.9875338 0.1994241 0.0086697 0.1724890 1.2566452 6 Ag 1.1424067 0.1203911 -0.0110432 0.0420456 0.9875338 -0.1994241 0.0086697 -0.1724890 1.2566452 7 Ag 0.8855340 0.0000000 0.1558877 -0.0000000 0.9483581 0.0000000 -0.1562639 0.0000000 0.7691495 8 Ag 0.8855340 0.0000000 0.1558877 -0.0000000 0.9483581 0.0000000 -0.1562639 0.0000000 0.7691495 9 P 2.4898670 -0.0747465 -1.2133584 -0.2312211 3.1662237 -0.3802629 -0.7055545 0.3260671 2.0810552 10 P 2.4898670 0.0747465 -1.2133584 0.2312211 3.1662237 0.3802629 -0.7055545 -0.3260671 2.0810552 11 P 2.4898670 -0.0747465 -1.2133584 -0.2312211 3.1662237 -0.3802629 -0.7055545 0.3260671 2.0810552 12 P 2.4898670 0.0747465 -1.2133584 0.2312211 3.1662237 0.3802629 -0.7055545 -0.3260671 2.0810552 13 S -1.5061778 0.0546442 0.0804953 -0.1327626 -1.3949710 0.1616885 0.0148293 0.3698661 -1.5434784 14 S -1.2954823 -0.3280876 0.8353385 -0.3599691 -1.3894738 -0.0273494 0.8442251 0.1756647 -1.6634882 15 S -1.0779794 0.4274276 0.2944677 0.4958931 -2.2577229 -0.1129295 0.3251623 -0.3836401 -0.8918148 16 S -1.2954823 0.3280876 0.8353385 0.3599691 -1.3894738 0.0273494 0.8442251 -0.1756647 -1.6634882 17 S -1.5176171 0.3648831 0.1350735 0.3888619 -1.6645691 -0.4164481 0.0119880 -0.2488046 -1.2206722 18 S -1.5061778 0.0546442 0.0804953 -0.1327626 -1.3949710 0.1616885 0.0148293 0.3698661 -1.5434784 19 S -1.5176171 -0.3648831 0.1350735 -0.3888619 -1.6645691 0.4164481 0.0119880 0.2488046 -1.2206722 20 S -1.5176171 0.3648831 0.1350735 0.3888619 -1.6645691 -0.4164481 0.0119880 -0.2488046 -1.2206722 21 S -1.5176171 -0.3648831 0.1350735 -0.3888619 -1.6645691 0.4164481 0.0119880 0.2488046 -1.2206722 22 S -1.5061778 -0.0546442 0.0804953 0.1327626 -1.3949710 -0.1616885 0.0148293 -0.3698661 -1.5434784 23 S -1.2954823 0.3280876 0.8353385 0.3599691 -1.3894738 0.0273494 0.8442251 -0.1756647 -1.6634882 24 S -1.2954823 -0.3280876 0.8353385 -0.3599691 -1.3894738 -0.0273494 0.8442251 0.1756647 -1.6634882 25 S -1.0779794 0.4274276 0.2944677 0.4958931 -2.2577229 -0.1129295 0.3251623 -0.3836401 -0.8918148 26 S -1.0779794 -0.4274276 0.2944677 -0.4958931 -2.2577229 0.1129295 0.3251623 0.3836401 -0.8918148 27 S -1.5061778 -0.0546442 0.0804953 0.1327626 -1.3949710 -0.1616885 0.0148293 -0.3698661 -1.5434784 28 S -1.0779794 -0.4274276 0.2944677 -0.4958931 -2.2577229 0.1129295 0.3251623 0.3836401 -0.8918148 ---------------------------------------------------------------------------- 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] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] Computing fc3[ 51, 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] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] Computing fc3[ 53, 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] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:18:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:18:26]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 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 8.349678616033616 -4.558210785000000 0.000000000000000 b 8.349678616033616 4.558210785000000 0.000000000000000 c -5.170679174181648 0.000000000000000 7.757583671681582 Atomic positions (fractional): 1 Y 0.03664906203933 0.96335093796067 0.25000000000000 88.906 2 Y 0.96335093796068 0.03664906203932 0.75000000000000 88.906 3 Ag 0.46567814455213 0.23639102829208 0.22637800608195 107.868 4 Ag 0.76360897170792 0.53432185544788 0.27362199391805 107.868 5 Ag 0.53432185544788 0.76360897170792 0.77362199391805 107.868 6 Ag 0.23639102829208 0.46567814455212 0.72637800608195 107.868 7 Ag 0.42474950756866 0.57525049243134 0.25000000000000 107.868 8 Ag 0.57525049243134 0.42474950756866 0.75000000000000 107.868 9 P 0.65812758694914 0.14430608570628 0.93214509327053 30.974 10 P 0.85569391429372 0.34187241305086 0.56785490672947 30.974 11 P 0.34187241305086 0.85569391429372 0.06785490672946 30.974 12 P 0.14430608570628 0.65812758694914 0.43214509327054 30.974 13 S 0.13091824666411 0.78038269051757 0.91843555092530 32.065 14 S 0.89979035142566 0.37629606462172 0.81760195838546 32.065 15 S 0.57827359624468 0.67448733896047 0.02294023061626 32.065 16 S 0.37629606462171 0.89979035142566 0.31760195838546 32.065 17 S 0.07885607390115 0.26209211474021 0.51979147515900 32.065 18 S 0.86908175333589 0.21961730948243 0.08156444907470 32.065 19 S 0.73790788525979 0.92114392609885 0.98020852484100 32.065 20 S 0.92114392609885 0.73790788525979 0.48020852484100 32.065 21 S 0.26209211474021 0.07885607390115 0.01979147515900 32.065 22 S 0.78038269051757 0.13091824666411 0.41843555092530 32.065 23 S 0.62370393537829 0.10020964857434 0.68239804161454 32.065 24 S 0.10020964857434 0.62370393537828 0.18239804161454 32.065 25 S 0.42172640375532 0.32551266103953 0.97705976938374 32.065 26 S 0.67448733896047 0.57827359624468 0.52294023061626 32.065 27 S 0.21961730948243 0.86908175333589 0.58156444907470 32.065 28 S 0.32551266103953 0.42172640375532 0.47705976938374 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.699357232067232 0.000000000000000 0.000000000000000 b 0.000000000000000 18.232843140000000 0.000000000000000 c -5.170679174181648 0.000000000000000 7.757583671681582 Atomic positions (fractional): 1 Y 0.00000000000000 0.48167546898034 0.25000000000000 88.906 > 1 2 Y 0.00000000000000 0.98167546898034 0.25000000000000 88.906 > 1 3 Y 0.00000000000000 0.01832453101966 0.75000000000000 88.906 > 3 4 Y 0.00000000000000 0.51832453101966 0.75000000000000 88.906 > 3 5 Y 0.50000000000000 0.23167546898034 0.25000000000000 88.906 > 1 6 Y 0.50000000000000 0.73167546898034 0.25000000000000 88.906 > 1 7 Y 0.50000000000000 0.26832453101966 0.75000000000000 88.906 > 3 8 Y 0.50000000000000 0.76832453101966 0.75000000000000 88.906 > 3 9 Ag 0.85103458642210 0.19267822093499 0.22637800608195 107.868 > 9 10 Ag 0.85103458642210 0.69267822093499 0.22637800608195 107.868 > 9 11 Ag 0.64896541357790 0.44267822093499 0.27362199391805 107.868 > 11 12 Ag 0.64896541357790 0.94267822093499 0.27362199391805 107.868 > 11 13 Ag 0.64896541357790 0.05732177906501 0.77362199391805 107.868 > 13 14 Ag 0.64896541357790 0.55732177906501 0.77362199391805 107.868 > 13 15 Ag 0.85103458642210 0.30732177906501 0.72637800608195 107.868 > 15 16 Ag 0.85103458642210 0.80732177906501 0.72637800608195 107.868 > 15 17 Ag 0.00000000000000 0.28762524621567 0.25000000000000 107.868 > 17 18 Ag 0.00000000000000 0.78762524621567 0.25000000000000 107.868 > 17 19 Ag 0.00000000000000 0.21237475378433 0.75000000000000 107.868 > 19 20 Ag 0.00000000000000 0.71237475378433 0.75000000000000 107.868 > 19 21 Ag 0.35103458642210 0.44267822093499 0.22637800608195 107.868 > 9 22 Ag 0.35103458642210 0.94267822093499 0.22637800608195 107.868 > 9 23 Ag 0.14896541357790 0.19267822093499 0.27362199391805 107.868 > 11 24 Ag 0.14896541357790 0.69267822093499 0.27362199391805 107.868 > 11 25 Ag 0.14896541357790 0.30732177906501 0.77362199391805 107.868 > 13 26 Ag 0.14896541357790 0.80732177906501 0.77362199391805 107.868 > 13 27 Ag 0.35103458642210 0.05732177906501 0.72637800608195 107.868 > 15 28 Ag 0.35103458642210 0.55732177906501 0.72637800608195 107.868 > 15 29 Ag 0.50000000000000 0.03762524621567 0.25000000000000 107.868 > 17 30 Ag 0.50000000000000 0.53762524621567 0.25000000000000 107.868 > 17 31 Ag 0.50000000000000 0.46237475378433 0.75000000000000 107.868 > 19 32 Ag 0.50000000000000 0.96237475378433 0.75000000000000 107.868 > 19 33 P 0.90121683632771 0.12154462468928 0.93214509327053 30.974 > 33 34 P 0.90121683632771 0.62154462468928 0.93214509327053 30.974 > 33 35 P 0.59878316367229 0.37154462468928 0.56785490672947 30.974 > 35 36 P 0.59878316367229 0.87154462468928 0.56785490672947 30.974 > 35 37 P 0.59878316367229 0.12845537531072 0.06785490672946 30.974 > 37 38 P 0.59878316367229 0.62845537531072 0.06785490672946 30.974 > 37 39 P 0.90121683632771 0.37845537531072 0.43214509327054 30.974 > 39 40 P 0.90121683632771 0.87845537531072 0.43214509327054 30.974 > 39 41 P 0.40121683632771 0.37154462468928 0.93214509327053 30.974 > 33 42 P 0.40121683632771 0.87154462468928 0.93214509327053 30.974 > 33 43 P 0.09878316367229 0.12154462468928 0.56785490672947 30.974 > 35 44 P 0.09878316367229 0.62154462468928 0.56785490672947 30.974 > 35 45 P 0.09878316367229 0.37845537531072 0.06785490672946 30.974 > 37 46 P 0.09878316367229 0.87845537531072 0.06785490672946 30.974 > 37 47 P 0.40121683632771 0.12845537531072 0.43214509327054 30.974 > 39 48 P 0.40121683632771 0.62845537531072 0.43214509327054 30.974 > 39 49 S 0.95565046859084 0.41236611096337 0.91843555092530 32.065 > 49 50 S 0.95565046859084 0.91236611096337 0.91843555092530 32.065 > 49 51 S 0.63804320802369 0.36912642829901 0.81760195838546 32.065 > 51 52 S 0.63804320802369 0.86912642829901 0.81760195838546 32.065 > 51 53 S 0.62638046760257 0.02405343567895 0.02294023061626 32.065 > 53 54 S 0.62638046760257 0.52405343567895 0.02294023061626 32.065 > 53 55 S 0.63804320802369 0.13087357170099 0.31760195838546 32.065 > 55 56 S 0.63804320802369 0.63087357170099 0.31760195838546 32.065 > 55 57 S 0.67047409432068 0.29580901020977 0.51979147515900 32.065 > 57 58 S 0.67047409432068 0.79580901020977 0.51979147515900 32.065 > 57 59 S 0.54434953140916 0.33763388903663 0.08156444907470 32.065 > 59 60 S 0.54434953140916 0.83763388903663 0.08156444907470 32.065 > 59 61 S 0.82952590567932 0.04580901020977 0.98020852484100 32.065 > 61 62 S 0.82952590567932 0.54580901020977 0.98020852484100 32.065 > 61 63 S 0.82952590567932 0.45419098979023 0.48020852484100 32.065 > 63 64 S 0.82952590567932 0.95419098979023 0.48020852484100 32.065 > 63 65 S 0.67047409432068 0.20419098979023 0.01979147515900 32.065 > 65 66 S 0.67047409432068 0.70419098979023 0.01979147515900 32.065 > 65 67 S 0.95565046859084 0.08763388903663 0.41843555092530 32.065 > 67 68 S 0.95565046859084 0.58763388903663 0.41843555092530 32.065 > 67 69 S 0.86195679197631 0.11912642829901 0.68239804161454 32.065 > 69 70 S 0.86195679197631 0.61912642829901 0.68239804161454 32.065 > 69 71 S 0.86195679197631 0.38087357170099 0.18239804161454 32.065 > 71 72 S 0.86195679197631 0.88087357170099 0.18239804161454 32.065 > 71 73 S 0.87361953239743 0.22594656432105 0.97705976938374 32.065 > 73 74 S 0.87361953239743 0.72594656432105 0.97705976938374 32.065 > 73 75 S 0.62638046760257 0.47594656432105 0.52294023061626 32.065 > 75 76 S 0.62638046760257 0.97594656432105 0.52294023061626 32.065 > 75 77 S 0.54434953140916 0.16236611096337 0.58156444907470 32.065 > 77 78 S 0.54434953140916 0.66236611096337 0.58156444907470 32.065 > 77 79 S 0.87361953239743 0.27405343567895 0.47705976938374 32.065 > 79 80 S 0.87361953239743 0.77405343567895 0.47705976938374 32.065 > 79 81 S 0.45565046859084 0.16236611096337 0.91843555092530 32.065 > 49 82 S 0.45565046859084 0.66236611096337 0.91843555092530 32.065 > 49 83 S 0.13804320802369 0.11912642829901 0.81760195838546 32.065 > 51 84 S 0.13804320802369 0.61912642829901 0.81760195838546 32.065 > 51 85 S 0.12638046760257 0.27405343567895 0.02294023061626 32.065 > 53 86 S 0.12638046760257 0.77405343567895 0.02294023061626 32.065 > 53 87 S 0.13804320802369 0.38087357170099 0.31760195838546 32.065 > 55 88 S 0.13804320802369 0.88087357170099 0.31760195838546 32.065 > 55 89 S 0.17047409432068 0.04580901020977 0.51979147515900 32.065 > 57 90 S 0.17047409432068 0.54580901020977 0.51979147515900 32.065 > 57 91 S 0.04434953140916 0.08763388903663 0.08156444907470 32.065 > 59 92 S 0.04434953140916 0.58763388903663 0.08156444907470 32.065 > 59 93 S 0.32952590567932 0.29580901020977 0.98020852484100 32.065 > 61 94 S 0.32952590567932 0.79580901020977 0.98020852484100 32.065 > 61 95 S 0.32952590567932 0.20419098979023 0.48020852484100 32.065 > 63 96 S 0.32952590567932 0.70419098979023 0.48020852484100 32.065 > 63 97 S 0.17047409432068 0.45419098979023 0.01979147515900 32.065 > 65 98 S 0.17047409432068 0.95419098979023 0.01979147515900 32.065 > 65 99 S 0.45565046859084 0.33763388903663 0.41843555092530 32.065 > 67 100 S 0.45565046859084 0.83763388903663 0.41843555092530 32.065 > 67 101 S 0.36195679197631 0.36912642829901 0.68239804161454 32.065 > 69 102 S 0.36195679197631 0.86912642829901 0.68239804161454 32.065 > 69 103 S 0.36195679197631 0.13087357170099 0.18239804161454 32.065 > 71 104 S 0.36195679197631 0.63087357170099 0.18239804161454 32.065 > 71 105 S 0.37361953239743 0.47594656432105 0.97705976938374 32.065 > 73 106 S 0.37361953239743 0.97594656432105 0.97705976938374 32.065 > 73 107 S 0.12638046760257 0.22594656432105 0.52294023061626 32.065 > 75 108 S 0.12638046760257 0.72594656432105 0.52294023061626 32.065 > 75 109 S 0.04434953140916 0.41236611096337 0.58156444907470 32.065 > 77 110 S 0.04434953140916 0.91236611096337 0.58156444907470 32.065 > 77 111 S 0.37361953239743 0.02405343567895 0.47705976938374 32.065 > 79 112 S 0.37361953239743 0.52405343567895 0.47705976938374 32.065 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.5074980 0.0000000 -0.4589355 0.0000000 7.1742714 0.0000000 -0.4589499 0.0000000 6.7610575 -------------------------- Born effective charges -------------------------- 1 Y 2.6444320 0.0000000 -0.3978344 -0.0000000 4.1576005 0.0000000 -0.8423761 0.0000000 3.1943568 2 Y 2.6444320 0.0000000 -0.3978344 -0.0000000 4.1576005 0.0000000 -0.8423761 0.0000000 3.1943568 3 Ag 1.1424067 -0.1203911 -0.0110432 -0.0420456 0.9875338 0.1994241 0.0086697 0.1724890 1.2566452 4 Ag 1.1424067 0.1203911 -0.0110432 0.0420456 0.9875338 -0.1994241 0.0086697 -0.1724890 1.2566452 5 Ag 1.1424067 -0.1203911 -0.0110432 -0.0420456 0.9875338 0.1994241 0.0086697 0.1724890 1.2566452 6 Ag 1.1424067 0.1203911 -0.0110432 0.0420456 0.9875338 -0.1994241 0.0086697 -0.1724890 1.2566452 7 Ag 0.8855340 0.0000000 0.1558877 -0.0000000 0.9483581 0.0000000 -0.1562639 0.0000000 0.7691495 8 Ag 0.8855340 0.0000000 0.1558877 -0.0000000 0.9483581 0.0000000 -0.1562639 0.0000000 0.7691495 9 P 2.4898670 -0.0747465 -1.2133584 -0.2312211 3.1662237 -0.3802629 -0.7055545 0.3260671 2.0810552 10 P 2.4898670 0.0747465 -1.2133584 0.2312211 3.1662237 0.3802629 -0.7055545 -0.3260671 2.0810552 11 P 2.4898670 -0.0747465 -1.2133584 -0.2312211 3.1662237 -0.3802629 -0.7055545 0.3260671 2.0810552 12 P 2.4898670 0.0747465 -1.2133584 0.2312211 3.1662237 0.3802629 -0.7055545 -0.3260671 2.0810552 13 S -1.5061778 0.0546442 0.0804953 -0.1327626 -1.3949710 0.1616885 0.0148293 0.3698661 -1.5434784 14 S -1.2954823 -0.3280876 0.8353385 -0.3599691 -1.3894738 -0.0273494 0.8442251 0.1756647 -1.6634882 15 S -1.0779794 0.4274276 0.2944677 0.4958931 -2.2577229 -0.1129295 0.3251623 -0.3836401 -0.8918148 16 S -1.2954823 0.3280876 0.8353385 0.3599691 -1.3894738 0.0273494 0.8442251 -0.1756647 -1.6634882 17 S -1.5176171 0.3648831 0.1350735 0.3888619 -1.6645691 -0.4164481 0.0119880 -0.2488046 -1.2206722 18 S -1.5061778 0.0546442 0.0804953 -0.1327626 -1.3949710 0.1616885 0.0148293 0.3698661 -1.5434784 19 S -1.5176171 -0.3648831 0.1350735 -0.3888619 -1.6645691 0.4164481 0.0119880 0.2488046 -1.2206722 20 S -1.5176171 0.3648831 0.1350735 0.3888619 -1.6645691 -0.4164481 0.0119880 -0.2488046 -1.2206722 21 S -1.5176171 -0.3648831 0.1350735 -0.3888619 -1.6645691 0.4164481 0.0119880 0.2488046 -1.2206722 22 S -1.5061778 -0.0546442 0.0804953 0.1327626 -1.3949710 -0.1616885 0.0148293 -0.3698661 -1.5434784 23 S -1.2954823 0.3280876 0.8353385 0.3599691 -1.3894738 0.0273494 0.8442251 -0.1756647 -1.6634882 24 S -1.2954823 -0.3280876 0.8353385 -0.3599691 -1.3894738 -0.0273494 0.8442251 0.1756647 -1.6634882 25 S -1.0779794 0.4274276 0.2944677 0.4958931 -2.2577229 -0.1129295 0.3251623 -0.3836401 -0.8918148 26 S -1.0779794 -0.4274276 0.2944677 -0.4958931 -2.2577229 0.1129295 0.3251623 0.3836401 -0.8918148 27 S -1.5061778 -0.0546442 0.0804953 0.1327626 -1.3949710 -0.1616885 0.0148293 -0.3698661 -1.5434784 28 S -1.0779794 -0.4274276 0.2944677 -0.4958931 -2.2577229 0.1129295 0.3251623 0.3836401 -0.8918148 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) --------------------------- 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: 0.49, Number of G-points: 307, Lambda: 0.13 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 1.207 ( 0.000 0.000 0.000) 0.000 1.284 ( 0.000 0.000 0.000) 0.000 1.317 ( 0.000 0.000 0.000) 0.000 1.398 ( 0.000 0.000 0.000) 0.000 1.445 ( 0.000 0.000 0.000) 0.000 1.571 ( 0.000 0.000 0.000) 0.000 1.618 ( 0.000 0.000 0.000) 0.000 1.938 ( 0.000 0.000 0.000) 0.000 1.982 ( 0.000 0.000 0.000) 0.000 2.066 ( 0.000 0.000 0.000) 0.000 2.081 ( 0.000 0.000 0.000) 0.000 2.117 ( 0.000 0.000 0.000) 0.000 2.275 ( 0.000 0.000 0.000) 0.000 2.289 ( 0.000 0.000 0.000) 0.000 2.291 ( 0.000 0.000 0.000) 0.000 2.480 ( 0.000 0.000 0.000) 0.000 2.521 ( 0.000 0.000 0.000) 0.000 2.639 ( 0.000 0.000 0.000) 0.000 2.822 ( 0.000 0.000 0.000) 0.000 3.110 ( 0.000 0.000 0.000) 0.000 3.115 ( 0.000 0.000 0.000) 0.000 3.153 ( 0.000 0.000 0.000) 0.000 3.285 ( 0.000 0.000 0.000) 0.000 3.321 ( 0.000 0.000 0.000) 0.000 3.418 ( 0.000 0.000 0.000) 0.000 3.469 ( 0.000 0.000 0.000) 0.000 3.695 ( 0.000 0.000 0.000) 0.000 3.874 ( 0.000 0.000 0.000) 0.000 3.994 ( 0.000 0.000 0.000) 0.000 4.086 ( 0.000 0.000 0.000) 0.000 4.190 ( 0.000 0.000 0.000) 0.000 4.475 ( 0.000 0.000 0.000) 0.000 4.649 ( 0.000 0.000 0.000) 0.000 4.779 ( 0.000 0.000 0.000) 0.000 4.811 ( 0.000 0.000 0.000) 0.000 4.847 ( 0.000 0.000 0.000) 0.000 4.911 ( 0.000 0.000 0.000) 0.000 5.241 ( 0.000 0.000 0.000) 0.000 5.299 ( 0.000 0.000 0.000) 0.000 5.588 ( 0.000 0.000 0.000) 0.000 5.766 ( 0.000 0.000 0.000) 0.000 5.784 ( 0.000 0.000 0.000) 0.000 5.993 ( 0.000 0.000 0.000) 0.000 6.194 ( 0.000 0.000 0.000) 0.000 6.372 ( 0.000 0.000 0.000) 0.000 6.507 ( 0.000 0.000 0.000) 0.000 6.655 ( 0.000 0.000 0.000) 0.000 6.714 ( 0.000 0.000 0.000) 0.000 6.784 ( 0.000 0.000 0.000) 0.000 7.397 ( 0.000 0.000 0.000) 0.000 7.488 ( 0.000 0.000 0.000) 0.000 7.742 ( 0.000 0.000 0.000) 0.000 7.789 ( 0.000 0.000 0.000) 0.000 7.918 ( 0.000 0.000 0.000) 0.000 7.921 ( 0.000 0.000 0.000) 0.000 7.925 ( 0.000 0.000 0.000) 0.000 7.928 ( 0.000 0.000 0.000) 0.000 8.044 ( 0.000 0.000 0.000) 0.000 8.127 ( 0.000 0.000 0.000) 0.000 8.278 ( 0.000 0.000 0.000) 0.000 8.318 ( 0.000 0.000 0.000) 0.000 8.906 ( 0.000 0.000 0.000) 0.000 9.088 ( 0.000 0.000 0.000) 0.000 9.126 ( 0.000 0.000 0.000) 0.000 9.146 ( 0.000 0.000 0.000) 0.000 11.866 ( 0.000 0.000 0.000) 0.000 11.935 ( 0.000 0.000 0.000) 0.000 11.952 ( 0.000 0.000 0.000) 0.000 11.974 ( 0.000 0.000 0.000) 0.000 15.373 ( 0.000 0.000 0.000) 0.000 15.400 ( 0.000 0.000 0.000) 0.000 15.430 ( 0.000 0.000 0.000) 0.000 15.463 ( 0.000 0.000 0.000) 0.000 15.718 ( 0.000 0.000 0.000) 0.000 15.889 ( 0.000 0.000 0.000) 0.000 15.960 ( 0.000 0.000 0.000) 0.000 15.981 ( 0.000 0.000 0.000) 0.000 16.753 ( 0.000 0.000 0.000) 0.000 16.862 ( 0.000 0.000 0.000) 0.000 16.863 ( 0.000 0.000 0.000) 0.000 16.926 ( 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.346 ( 16.504 -7.733 13.905) 22.925 0.416 ( 9.233 -20.918 -1.107) 22.892 0.679 ( 7.872 -32.873 8.732) 34.912 1.220 ( 0.491 -0.779 0.267) 0.959 1.279 ( -2.269 -1.154 -0.790) 2.665 1.345 ( -0.039 -2.724 1.005) 2.903 1.431 ( 0.004 -1.024 0.283) 1.062 1.466 ( 0.741 -2.358 -0.711) 2.572 1.548 ( 1.217 2.233 0.690) 2.635 1.646 ( 0.946 -1.687 1.953) 2.748 1.947 ( 0.993 3.905 -1.168) 4.195 1.954 ( -1.832 -0.660 0.423) 1.993 2.054 ( -1.523 1.318 -0.177) 2.022 2.098 ( -2.344 -0.774 1.544) 2.912 2.121 ( 1.748 0.878 -3.196) 3.747 2.250 ( -1.746 -0.869 -1.515) 2.470 2.300 ( -0.778 -2.490 0.806) 2.730 2.328 ( 1.048 0.248 3.042) 3.227 2.456 ( -4.227 0.103 1.700) 4.558 2.545 ( 3.617 -0.460 -3.049) 4.753 2.653 ( 0.144 -0.156 0.356) 0.415 2.837 ( 0.525 0.942 0.976) 1.455 2.965 ( 5.033 13.337 -2.886) 14.544 3.078 ( -1.065 4.281 1.049) 4.535 3.156 ( -0.490 -0.490 0.587) 0.908 3.323 ( -1.716 -1.254 -1.220) 2.451 3.433 ( 2.292 -3.978 -4.650) 6.535 3.463 ( 1.175 -8.792 -1.693) 9.031 3.503 ( -0.873 -1.861 6.609) 6.921 3.651 ( -1.096 4.347 -1.530) 4.737 3.905 ( -0.315 -1.993 -0.606) 2.107 4.068 ( -0.585 1.276 0.034) 1.404 4.183 ( -4.932 -4.006 -0.184) 6.357 4.193 ( -0.173 -1.448 -1.295) 1.950 4.463 ( 4.000 3.015 -3.109) 5.895 4.610 ( -0.886 3.245 -0.542) 3.407 4.771 ( -4.650 -2.476 -3.405) 6.273 4.829 ( 1.571 1.344 -0.495) 2.126 4.860 ( 2.345 2.921 -4.347) 5.739 4.922 ( -2.332 -0.834 9.692) 10.004 5.152 ( 0.229 7.188 -0.145) 7.193 5.445 ( -1.122 -8.913 -0.778) 9.017 5.598 ( 0.442 -0.376 1.512) 1.619 5.715 ( -2.847 0.517 -2.404) 3.762 5.842 ( 3.711 -0.738 2.541) 4.558 5.998 ( -0.889 -1.321 -0.523) 1.676 6.189 ( -0.735 0.447 0.221) 0.888 6.365 ( -1.829 0.070 -0.094) 1.833 6.489 ( -0.021 1.781 -0.699) 1.914 6.649 ( 0.801 1.508 -0.424) 1.759 6.682 ( 0.223 3.978 0.303) 3.995 6.852 ( -2.666 -0.332 -1.402) 3.031 7.389 ( 0.445 1.180 -0.017) 1.261 7.511 ( -0.670 -2.805 0.765) 2.984 7.752 ( -0.524 0.981 0.689) 1.308 7.780 ( -1.636 0.479 -0.265) 1.725 7.893 ( -0.035 2.029 0.221) 2.041 7.910 ( -0.836 2.302 -0.201) 2.458 7.937 ( -0.319 -1.403 -0.824) 1.658 7.957 ( -0.003 -2.699 -0.855) 2.831 8.047 ( 2.106 0.612 -2.125) 3.054 8.193 ( 0.189 -5.380 0.743) 5.434 8.260 ( 0.015 0.066 -4.204) 4.204 8.329 ( -0.088 0.772 3.871) 3.948 8.916 ( 0.205 -1.032 0.379) 1.118 9.108 ( -0.960 -0.078 -1.078) 1.446 9.153 ( 0.848 0.706 1.025) 1.507 9.275 ( -5.162 -2.761 -3.516) 6.829 11.876 ( -0.426 -0.261 -0.131) 0.516 11.936 ( 0.269 0.434 0.275) 0.580 11.954 ( -0.526 -0.517 -0.208) 0.766 11.977 ( 0.328 0.015 0.754) 0.823 15.349 ( -1.427 1.403 -0.424) 2.046 15.382 ( 1.099 1.859 -1.269) 2.505 15.458 ( -0.504 -1.401 -0.062) 1.490 15.498 ( 2.946 -0.698 -2.703) 4.058 15.737 ( 2.352 -0.718 0.220) 2.469 15.818 ( 0.735 5.777 0.010) 5.824 16.028 ( 0.300 -4.374 1.512) 4.638 16.365 ( -12.027 -5.863 -0.465) 13.388 16.752 ( 5.558 2.723 -4.549) 7.681 16.834 ( -2.059 1.728 -0.069) 2.688 16.931 ( -1.644 -1.662 -0.245) 2.350 17.075 ( -1.669 -8.065 -8.162) 11.595 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.674 ( 12.983 -8.486 11.020) 19.027 0.783 ( 7.560 -16.743 -0.961) 18.395 1.180 ( 3.377 -14.995 3.218) 15.704 1.224 ( -1.173 1.240 1.500) 2.272 1.284 ( -0.021 -3.833 -1.137) 3.998 1.391 ( -1.499 -2.194 0.562) 2.716 1.444 ( 0.009 -0.800 0.609) 1.005 1.504 ( -0.190 -2.701 0.003) 2.707 1.609 ( 3.612 -7.722 1.045) 8.589 1.699 ( 1.275 -1.652 2.930) 3.597 1.858 ( -0.147 5.972 0.639) 6.008 1.923 ( -4.099 1.941 -0.611) 4.576 2.042 ( -1.481 -0.443 0.530) 1.634 2.086 ( -1.398 0.913 0.506) 1.744 2.110 ( 0.730 -1.108 -2.075) 2.463 2.247 ( -2.098 -1.440 0.767) 2.658 2.326 ( 1.642 2.230 3.221) 4.247 2.364 ( -1.766 -5.588 -1.535) 6.058 2.459 ( 1.540 0.220 3.610) 3.931 2.555 ( 2.163 -0.207 -2.650) 3.427 2.652 ( 0.031 -0.374 -2.812) 2.837 2.801 ( 0.364 6.939 4.465) 8.260 2.844 ( 6.328 4.193 -3.805) 8.491 3.005 ( -2.672 3.335 0.379) 4.291 3.177 ( -0.629 -2.768 0.945) 2.991 3.295 ( -2.616 1.698 -3.627) 4.784 3.442 ( -0.696 -0.528 -2.594) 2.737 3.524 ( -1.632 3.320 -3.799) 5.302 3.604 ( -0.520 -4.552 2.199) 5.082 3.606 ( 1.860 -4.857 3.928) 6.517 3.881 ( -2.024 2.924 -1.391) 3.819 4.047 ( 1.319 2.552 -0.425) 2.904 4.208 ( -1.332 -1.550 2.352) 3.115 4.236 ( 0.140 -5.457 -2.671) 6.078 4.436 ( 3.607 1.915 -1.550) 4.368 4.557 ( -1.211 2.130 1.866) 3.080 4.731 ( -0.939 2.917 -3.977) 5.021 4.785 ( -1.134 5.025 -0.288) 5.159 4.816 ( -0.651 -1.853 -3.716) 4.203 4.945 ( -0.731 2.510 2.978) 3.963 5.078 ( 1.496 2.614 2.250) 3.760 5.540 ( -2.443 -4.103 -1.807) 5.106 5.623 ( 1.450 -1.635 0.133) 2.189 5.724 ( 2.527 -3.687 0.085) 4.471 5.896 ( 0.615 -2.327 2.040) 3.155 6.022 ( -0.322 -2.406 -0.399) 2.460 6.169 ( -0.843 1.174 0.099) 1.449 6.329 ( -2.623 2.199 -0.577) 3.471 6.457 ( 0.150 1.260 -0.817) 1.509 6.602 ( -0.921 4.735 1.277) 4.991 6.623 ( 0.469 3.154 -0.604) 3.245 6.814 ( -0.590 2.480 -0.636) 2.628 7.370 ( 0.342 1.501 -0.046) 1.540 7.560 ( -1.318 -3.243 1.605) 3.851 7.700 ( -0.650 3.448 -1.831) 3.958 7.770 ( 0.778 0.037 -0.330) 0.846 7.863 ( -0.455 2.209 1.340) 2.624 7.899 ( -0.646 -0.845 1.005) 1.463 7.958 ( -0.398 -1.810 -0.051) 1.854 8.001 ( 0.029 -3.296 -0.808) 3.393 8.045 ( 0.998 -0.129 -1.801) 2.063 8.238 ( 0.550 -0.046 -3.824) 3.864 8.268 ( -0.539 -2.939 0.638) 3.055 8.330 ( -0.079 1.259 3.416) 3.642 8.945 ( 0.319 -1.926 0.747) 2.090 9.104 ( 0.458 -0.113 -0.160) 0.498 9.139 ( -0.038 2.131 0.402) 2.169 9.251 ( -3.118 -0.982 -2.179) 3.929 11.877 ( -0.082 -0.141 0.147) 0.219 11.933 ( 0.295 0.334 0.018) 0.446 11.955 ( -0.801 -0.547 -0.117) 0.977 11.985 ( 0.468 0.023 0.637) 0.791 15.312 ( -0.959 1.261 -0.946) 1.845 15.361 ( 0.316 0.527 -0.849) 1.048 15.458 ( -1.123 0.392 0.174) 1.201 15.522 ( 0.811 -1.178 -1.302) 1.934 15.735 ( 0.972 2.904 -0.349) 3.082 15.792 ( 2.383 -0.502 1.330) 2.775 16.095 ( 0.504 -2.624 1.077) 2.881 16.348 ( -5.486 -1.940 -0.453) 5.837 16.725 ( 2.978 2.337 -3.185) 4.947 16.794 ( -1.263 1.506 0.658) 2.073 16.944 ( -1.219 -1.630 -0.325) 2.061 17.139 ( 0.311 -4.354 -2.520) 5.040 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.945 ( 7.829 -7.707 6.422) 12.725 1.029 ( 4.823 -6.363 -0.458) 7.997 1.157 ( -4.689 3.060 -1.923) 5.920 1.230 ( -1.160 0.909 -0.332) 1.511 1.384 ( 0.682 -0.665 0.914) 1.320 1.415 ( 1.008 -3.263 -0.993) 3.556 1.457 ( -0.726 -0.126 0.029) 0.737 1.565 ( -1.561 -5.360 1.620) 5.813 1.678 ( 1.124 5.066 -0.193) 5.193 1.778 ( 0.507 -3.507 -0.347) 3.561 1.809 ( 0.379 0.626 0.571) 0.928 1.889 ( -0.292 -2.150 1.542) 2.662 2.019 ( -2.069 1.477 0.925) 2.706 2.074 ( 0.129 0.199 0.709) 0.748 2.115 ( -1.110 -0.666 -1.988) 2.372 2.270 ( -0.601 -1.334 0.992) 1.768 2.346 ( 2.266 0.006 2.325) 3.246 2.395 ( 0.465 -0.491 -2.173) 2.275 2.505 ( -1.566 -2.173 4.862) 5.551 2.573 ( 2.460 0.001 -2.905) 3.807 2.666 ( 2.404 -4.672 -1.978) 5.614 2.749 ( 3.891 3.133 -2.231) 5.471 2.815 ( -0.681 4.536 4.492) 6.420 2.927 ( -3.436 2.028 -1.668) 4.324 3.195 ( -2.129 3.314 -2.538) 4.686 3.239 ( -0.362 -3.718 1.540) 4.040 3.392 ( -0.304 3.137 -2.207) 3.848 3.490 ( -0.480 -0.935 -0.321) 1.099 3.677 ( -0.545 -5.022 -0.341) 5.063 3.704 ( -0.894 -2.791 4.267) 5.176 3.788 ( 0.481 5.876 -2.516) 6.410 4.003 ( 0.580 2.367 -0.881) 2.591 4.232 ( 0.103 -0.723 0.784) 1.071 4.298 ( 0.608 -2.548 -1.624) 3.082 4.452 ( 1.259 -0.837 0.124) 1.517 4.563 ( -0.349 -1.318 5.598) 5.762 4.641 ( 0.100 3.408 -6.376) 7.230 4.693 ( -0.867 4.090 -0.334) 4.194 4.835 ( -1.602 -3.102 -0.744) 3.570 4.890 ( 0.604 4.028 0.124) 4.075 5.094 ( 0.727 -0.184 1.802) 1.952 5.528 ( -1.572 0.084 -1.130) 1.938 5.680 ( 1.415 -2.427 -0.475) 2.849 5.803 ( 1.442 -1.522 0.920) 2.290 5.963 ( 0.940 -4.055 0.306) 4.173 6.050 ( -0.743 -1.390 0.311) 1.607 6.150 ( 0.064 0.704 0.069) 0.710 6.251 ( -1.814 3.615 -0.446) 4.069 6.446 ( -0.012 0.053 -0.467) 0.470 6.540 ( -0.919 2.109 0.871) 2.460 6.580 ( 0.197 1.826 -0.348) 1.869 6.770 ( -0.091 1.760 -0.272) 1.783 7.353 ( 0.092 0.688 -0.028) 0.695 7.602 ( -1.569 -2.397 2.152) 3.583 7.642 ( 0.909 2.464 -2.291) 3.485 7.781 ( 1.141 -0.646 -1.057) 1.684 7.833 ( -0.822 1.620 1.496) 2.353 7.914 ( -0.409 -0.718 0.360) 0.901 7.980 ( -0.250 -0.895 0.492) 1.052 8.037 ( 0.750 -0.682 -0.811) 1.298 8.051 ( -0.248 -1.311 -0.545) 1.441 8.224 ( 0.442 0.098 -2.047) 2.096 8.279 ( -0.709 0.491 1.230) 1.503 8.340 ( 0.189 -0.403 0.824) 0.936 8.984 ( 0.288 -1.720 0.589) 1.841 9.094 ( 0.013 2.097 0.146) 2.102 9.118 ( 0.137 -0.332 -0.201) 0.412 9.232 ( -1.219 -0.228 -0.839) 1.498 11.879 ( 0.018 -0.085 0.100) 0.132 11.931 ( 0.088 0.145 -0.016) 0.170 11.956 ( -0.337 -0.212 -0.001) 0.399 11.990 ( 0.201 0.003 0.211) 0.292 15.288 ( -0.290 0.493 -0.494) 0.756 15.361 ( -0.030 -0.481 -0.230) 0.534 15.437 ( -0.566 0.967 0.073) 1.123 15.530 ( 0.353 -0.113 -0.506) 0.627 15.713 ( 0.306 0.624 0.082) 0.700 15.824 ( 1.056 -0.475 0.503) 1.263 16.130 ( 0.320 -0.810 0.388) 0.953 16.332 ( -1.908 -0.487 -0.188) 1.978 16.702 ( 0.854 0.884 -1.136) 1.674 16.774 ( -0.244 0.622 0.272) 0.721 16.954 ( -0.433 -0.639 -0.149) 0.787 17.179 ( 0.222 -1.464 -0.635) 1.612 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.207 ( 6.765 -0.000 8.030) 10.499 0.336 ( 21.397 -0.000 -4.432) 21.851 0.786 ( 25.744 -0.000 24.739) 35.704 1.217 ( 1.057 -0.000 0.023) 1.058 1.239 ( -3.817 0.000 -0.492) 3.848 1.332 ( -0.001 0.000 2.084) 2.084 1.427 ( 2.597 -0.000 0.980) 2.776 1.465 ( 2.520 -0.000 0.067) 2.521 1.597 ( 2.467 -0.000 1.118) 2.708 1.650 ( 1.537 -0.000 2.498) 2.933 1.915 ( -2.225 0.000 -0.120) 2.228 2.019 ( -0.923 0.000 -1.451) 1.719 2.067 ( -2.071 0.000 1.270) 2.429 2.072 ( 0.958 -0.000 -2.696) 2.861 2.084 ( -0.754 0.000 -2.848) 2.946 2.218 ( -1.318 0.000 -1.606) 2.077 2.242 ( -6.270 0.000 1.881) 6.546 2.394 ( 4.230 -0.000 4.339) 6.060 2.425 ( -2.422 0.000 1.221) 2.712 2.552 ( 3.422 -0.000 -3.857) 5.156 2.641 ( -0.550 0.000 0.404) 0.683 2.861 ( -0.244 0.000 -2.748) 2.759 3.102 ( -2.788 0.000 -2.524) 3.761 3.125 ( -0.467 0.000 -0.383) 0.604 3.167 ( 1.258 -0.000 1.264) 1.783 3.275 ( -2.924 0.000 -0.431) 2.956 3.378 ( 8.266 -0.000 -3.553) 8.997 3.395 ( 1.281 -0.000 -2.177) 2.526 3.528 ( 0.395 -0.000 7.101) 7.112 3.662 ( -1.868 0.000 -2.817) 3.380 3.887 ( -3.281 0.000 -1.893) 3.788 4.032 ( 1.625 -0.000 3.283) 3.663 4.088 ( -1.855 0.000 2.074) 2.782 4.175 ( -0.170 0.000 -1.929) 1.936 4.523 ( 8.337 -0.000 -6.615) 10.643 4.623 ( -1.205 0.000 -2.542) 2.813 4.660 ( -4.951 0.000 -5.308) 7.258 4.870 ( 0.461 -0.000 -4.760) 4.782 4.881 ( 2.341 -0.000 1.509) 2.785 4.946 ( -6.092 0.000 13.405) 14.724 5.252 ( 1.853 -0.000 -0.483) 1.915 5.316 ( 0.888 -0.000 0.994) 1.333 5.612 ( 0.186 -0.000 2.190) 2.198 5.678 ( -1.860 0.000 -1.905) 2.663 5.895 ( 4.212 -0.000 2.864) 5.094 5.963 ( -3.557 0.000 -1.453) 3.843 6.183 ( -1.615 0.000 0.544) 1.704 6.341 ( -3.469 0.000 -0.302) 3.482 6.507 ( 0.486 -0.000 -0.255) 0.549 6.664 ( 0.534 -0.000 -0.910) 1.055 6.723 ( 0.839 -0.000 0.254) 0.877 6.790 ( 0.460 -0.000 0.335) 0.569 7.406 ( 0.884 -0.000 0.350) 0.951 7.485 ( -0.980 0.000 1.066) 1.448 7.755 ( -3.584 0.000 -0.298) 3.596 7.770 ( 1.399 -0.000 2.216) 2.621 7.905 ( -1.121 0.000 1.121) 1.586 7.907 ( 1.070 -0.000 -4.596) 4.719 7.930 ( -1.495 0.000 0.350) 1.536 7.932 ( 0.535 -0.000 -0.215) 0.577 8.059 ( 2.838 -0.000 -4.566) 5.376 8.157 ( 1.173 -0.000 2.682) 2.927 8.230 ( -0.041 0.000 -5.344) 5.344 8.360 ( 0.117 -0.000 4.288) 4.290 8.908 ( -0.375 0.000 0.852) 0.931 9.072 ( -0.890 0.000 -1.173) 1.473 9.154 ( 0.563 -0.000 0.479) 0.739 9.211 ( 0.162 -0.000 0.258) 0.304 11.868 ( -0.134 0.000 0.572) 0.587 11.940 ( -0.137 0.000 -0.197) 0.240 11.942 ( -0.714 0.000 -0.490) 0.867 11.989 ( 0.433 -0.000 1.536) 1.596 15.363 ( -0.484 0.000 -0.939) 1.057 15.399 ( 1.316 -0.000 -2.180) 2.546 15.427 ( -1.206 0.000 1.321) 1.789 15.503 ( 2.059 -0.000 -10.505) 10.705 15.795 ( 8.004 -0.000 -1.961) 8.241 15.875 ( 0.633 -0.000 -2.886) 2.955 15.999 ( -0.409 0.000 3.159) 3.185 16.115 ( -6.490 0.000 10.193) 12.084 16.780 ( 2.176 -0.000 -7.225) 7.546 16.832 ( -2.537 0.000 0.337) 2.559 16.908 ( 5.980 -0.000 -3.249) 6.806 16.966 ( 3.761 -0.000 -0.565) 3.803 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.590 ( 3.100 -20.501 9.122) 22.652 0.603 ( 16.161 -15.443 -7.478) 23.571 1.128 ( 14.332 -3.880 13.610) 20.142 1.210 ( -4.287 -0.911 0.188) 4.387 1.246 ( 2.928 -2.017 1.030) 3.702 1.366 ( 1.071 -1.572 2.974) 3.530 1.460 ( 2.188 0.425 1.022) 2.452 1.498 ( 3.134 -0.087 1.394) 3.432 1.608 ( 4.419 1.338 2.658) 5.328 1.700 ( 1.551 -1.841 2.570) 3.521 1.905 ( -2.516 -0.512 0.584) 2.633 1.948 ( -0.995 5.161 0.003) 5.256 2.042 ( -1.151 1.111 0.857) 1.815 2.066 ( -2.312 -1.541 -0.790) 2.889 2.078 ( -1.503 -0.390 -1.751) 2.340 2.212 ( -1.298 -1.383 0.166) 1.904 2.245 ( -4.142 -4.699 0.366) 6.275 2.400 ( 2.328 2.250 2.155) 3.889 2.475 ( 2.991 -2.216 3.089) 4.837 2.553 ( 1.625 -0.807 -4.905) 5.230 2.645 ( 0.029 0.916 0.713) 1.161 2.849 ( -0.961 -0.054 2.618) 2.789 3.011 ( 1.379 7.351 -4.416) 8.685 3.041 ( -0.932 5.317 -1.867) 5.712 3.159 ( -0.179 0.968 1.084) 1.464 3.263 ( -2.468 -1.188 -1.955) 3.365 3.380 ( -1.855 -1.347 -3.801) 4.438 3.498 ( 4.304 -3.744 -2.733) 6.325 3.579 ( -4.560 0.724 3.225) 5.632 3.614 ( 3.760 -0.542 1.437) 4.062 3.862 ( -2.735 -1.097 -1.505) 3.309 4.064 ( -0.027 -0.265 0.340) 0.431 4.131 ( -2.563 -4.687 0.085) 5.343 4.182 ( 0.426 -2.049 0.540) 2.161 4.514 ( 6.058 3.515 -4.579) 8.368 4.572 ( -1.982 1.438 -0.820) 2.582 4.661 ( -1.382 -5.098 -5.486) 7.615 4.810 ( -0.146 3.906 -4.590) 6.029 4.866 ( -0.124 3.928 2.008) 4.413 4.979 ( -2.331 -0.047 7.004) 7.382 5.173 ( 1.877 6.534 0.369) 6.808 5.433 ( 0.542 -7.179 -0.812) 7.246 5.624 ( 0.363 -0.066 0.955) 1.023 5.688 ( 2.302 -2.773 -0.157) 3.607 5.898 ( -1.373 0.868 0.642) 1.747 5.972 ( -0.440 -2.521 0.380) 2.588 6.171 ( -1.596 0.004 0.491) 1.670 6.306 ( -4.298 -0.233 -0.672) 4.357 6.492 ( 1.331 2.231 -0.415) 2.631 6.647 ( -0.416 1.822 -0.639) 1.975 6.695 ( 0.371 4.463 0.879) 4.564 6.816 ( -0.222 -1.036 -0.497) 1.170 7.401 ( 0.829 1.701 0.289) 1.914 7.511 ( -0.946 -2.963 1.962) 3.677 7.710 ( -3.089 1.100 -2.020) 3.852 7.781 ( 0.969 1.127 0.851) 1.712 7.886 ( -1.001 1.122 0.859) 1.731 7.908 ( 0.205 0.391 -1.074) 1.161 7.930 ( -0.263 -1.095 1.240) 1.676 7.941 ( -0.424 -2.765 -0.735) 2.892 8.049 ( 1.732 0.655 -3.041) 3.560 8.208 ( 0.066 -0.936 -4.635) 4.729 8.217 ( 0.651 -3.473 1.824) 3.976 8.373 ( -0.005 1.352 3.594) 3.840 8.925 ( -0.199 -1.606 1.029) 1.917 9.073 ( -1.374 -1.782 -1.740) 2.845 9.174 ( 0.393 -0.150 0.750) 0.860 9.202 ( -0.704 0.407 -0.409) 0.910 11.874 ( -0.181 -0.291 0.582) 0.676 11.931 ( -0.843 0.034 -0.485) 0.973 11.943 ( 0.083 -0.465 -0.420) 0.632 11.999 ( 0.500 0.323 1.476) 1.591 15.321 ( -0.758 2.116 -1.012) 2.465 15.380 ( 0.760 2.130 -2.060) 3.059 15.444 ( -1.134 -1.625 0.325) 2.007 15.482 ( 0.147 -2.156 -3.262) 3.913 15.804 ( 2.847 4.266 -1.186) 5.264 15.841 ( 3.373 1.959 0.584) 3.944 16.061 ( 0.520 -3.616 2.599) 4.483 16.205 ( -5.983 -7.945 0.938) 9.990 16.743 ( -0.451 1.378 -3.663) 3.939 16.829 ( 0.154 -0.012 0.833) 0.847 16.906 ( 1.299 0.785 -1.254) 1.969 17.062 ( 3.531 -5.412 -1.643) 6.668 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.879 ( 6.960 -11.344 -0.014) 13.310 0.962 ( 7.463 -13.259 3.296) 15.568 1.172 ( -2.748 2.573 -0.161) 3.768 1.239 ( 0.768 -0.841 1.452) 1.846 1.342 ( -0.817 -2.858 -0.396) 2.999 1.417 ( 5.370 -0.523 1.877) 5.713 1.461 ( 1.507 0.969 0.621) 1.896 1.518 ( -0.722 -0.247 3.673) 3.751 1.711 ( 3.040 -4.778 2.594) 6.229 1.742 ( 2.560 0.316 1.585) 3.027 1.853 ( -0.819 4.737 -0.830) 4.878 1.891 ( -0.329 1.095 1.505) 1.890 2.037 ( -0.858 0.578 3.988) 4.120 2.059 ( -1.174 -0.659 -2.041) 2.445 2.082 ( -0.701 -2.084 1.213) 2.511 2.242 ( -0.324 -2.152 0.756) 2.304 2.303 ( -2.258 -6.048 -0.530) 6.477 2.407 ( 2.812 2.048 2.831) 4.485 2.548 ( 0.755 -1.182 -1.399) 1.981 2.571 ( 3.106 -0.911 2.492) 4.085 2.613 ( 2.317 0.802 -3.515) 4.286 2.835 ( -2.397 4.377 4.489) 6.713 2.904 ( -0.319 4.737 -1.370) 4.942 2.948 ( 1.705 3.743 -3.603) 5.468 3.172 ( -1.956 -2.504 0.451) 3.209 3.213 ( -1.486 2.131 -2.584) 3.665 3.379 ( -2.599 -2.766 -2.219) 4.396 3.459 ( -1.419 1.622 -2.774) 3.513 3.600 ( -0.671 -3.486 0.020) 3.550 3.698 ( 1.638 -2.020 4.926) 5.570 3.832 ( -0.889 1.540 -2.465) 3.039 4.032 ( -1.415 2.284 -2.292) 3.531 4.206 ( 0.508 -5.450 -2.339) 5.952 4.223 ( -0.411 -2.424 1.990) 3.163 4.502 ( 4.960 2.728 -0.551) 5.687 4.551 ( -1.354 -1.402 0.652) 2.055 4.684 ( -0.097 3.104 -1.772) 3.575 4.718 ( -1.248 -0.503 -4.855) 5.038 4.800 ( -0.890 3.721 0.802) 3.909 4.960 ( -0.551 3.662 2.030) 4.223 5.120 ( 0.598 2.516 0.691) 2.677 5.500 ( 0.256 -2.150 -0.824) 2.316 5.651 ( 1.086 -2.482 0.163) 2.714 5.788 ( 4.026 -4.048 0.401) 5.724 5.906 ( -0.523 -3.261 -0.008) 3.302 5.993 ( -3.400 -1.702 0.954) 3.920 6.171 ( 0.090 -0.246 1.136) 1.166 6.266 ( -3.017 0.678 -1.154) 3.301 6.465 ( 1.899 2.220 -0.782) 3.024 6.587 ( -2.638 4.272 1.417) 5.217 6.626 ( 0.422 4.063 -0.193) 4.089 6.801 ( -0.007 2.027 -0.601) 2.115 7.377 ( 0.355 1.998 0.256) 2.045 7.565 ( -1.146 -2.689 2.837) 4.073 7.661 ( -0.224 0.944 -3.293) 3.433 7.775 ( 1.146 0.323 -1.509) 1.922 7.854 ( -2.379 1.776 1.154) 3.185 7.905 ( -0.111 -0.518 0.800) 0.959 7.967 ( -0.378 -1.553 2.954) 3.359 7.990 ( 0.123 -4.020 -1.221) 4.203 8.040 ( 1.389 0.138 -2.592) 2.944 8.205 ( 0.424 -1.136 -3.079) 3.309 8.271 ( -0.328 -1.724 0.918) 1.980 8.363 ( -0.000 1.774 2.379) 2.968 8.963 ( 0.310 -2.107 1.262) 2.476 9.080 ( -1.860 -2.095 -2.089) 3.495 9.145 ( 0.238 3.482 0.448) 3.518 9.212 ( 0.104 -1.362 0.197) 1.380 11.880 ( -0.008 -0.129 0.457) 0.474 11.922 ( -1.008 -0.268 -0.453) 1.137 11.950 ( 0.350 -0.487 -0.488) 0.773 12.003 ( 0.361 0.612 1.172) 1.370 15.287 ( -0.778 0.737 -0.696) 1.278 15.352 ( 0.064 0.354 -1.049) 1.109 15.449 ( -0.652 0.157 0.891) 1.115 15.507 ( 0.244 -2.004 -2.371) 3.114 15.745 ( 0.602 3.208 -0.597) 3.318 15.855 ( 2.714 1.425 1.348) 3.349 16.121 ( 0.497 -1.588 1.734) 2.403 16.260 ( -3.250 -4.979 -0.906) 6.014 16.701 ( -1.275 0.754 -1.873) 2.388 16.821 ( 2.465 2.928 0.577) 3.870 16.915 ( -1.195 -2.429 -0.642) 2.782 17.149 ( 2.177 -3.257 -0.563) 3.958 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 1.013 ( -5.385 8.778 -0.764) 10.327 1.047 ( 3.202 -0.683 -1.238) 3.500 1.175 ( 4.513 -4.155 1.838) 6.404 1.233 ( 0.743 1.323 0.008) 1.518 1.368 ( -1.438 -2.674 -0.519) 3.080 1.451 ( 0.306 0.837 0.399) 0.977 1.475 ( 3.233 1.336 1.852) 3.958 1.568 ( -0.977 -4.972 2.236) 5.539 1.696 ( 1.713 6.182 -0.201) 6.418 1.778 ( 0.543 -1.673 -1.273) 2.171 1.807 ( -0.840 0.403 -0.244) 0.963 1.916 ( 1.486 -1.028 0.741) 1.953 2.033 ( -0.346 1.765 2.643) 3.197 2.052 ( 1.546 -0.557 -2.740) 3.195 2.134 ( 0.210 -1.516 4.229) 4.497 2.266 ( -1.407 -1.430 0.129) 2.011 2.334 ( -2.479 0.402 -2.351) 3.440 2.398 ( 2.044 2.685 0.795) 3.467 2.554 ( -0.981 1.041 4.201) 4.438 2.562 ( 1.797 -0.612 -3.186) 3.709 2.687 ( -3.034 -3.417 0.465) 4.594 2.729 ( -0.235 6.685 -3.475) 7.538 2.793 ( -1.630 4.286 0.854) 4.664 2.954 ( 4.886 -0.439 0.351) 4.918 3.167 ( 0.946 -2.835 -0.464) 3.024 3.252 ( -0.443 -2.671 1.567) 3.128 3.354 ( -2.496 -0.407 0.033) 2.529 3.466 ( -0.705 -2.872 -2.211) 3.692 3.675 ( 0.517 -6.577 0.722) 6.636 3.733 ( -1.184 1.293 4.032) 4.396 3.775 ( 2.222 4.034 -4.222) 6.248 3.975 ( -2.068 0.595 -1.487) 2.616 4.229 ( 0.275 -0.325 -1.246) 1.317 4.290 ( -0.922 -2.970 0.948) 3.251 4.490 ( 1.867 2.428 0.562) 3.115 4.558 ( -0.148 2.023 -4.981) 5.378 4.629 ( -0.937 -1.735 4.783) 5.174 4.690 ( 1.017 2.602 -0.028) 2.793 4.804 ( -1.338 -4.384 -0.458) 4.607 4.910 ( 1.326 3.421 0.522) 3.706 5.085 ( -1.254 1.414 -1.792) 2.605 5.533 ( 1.744 -1.680 0.870) 2.573 5.695 ( 0.384 -0.870 0.317) 1.002 5.818 ( 0.063 1.960 -0.460) 2.014 5.979 ( 1.171 -2.716 -1.013) 3.126 5.998 ( -3.947 -3.341 0.390) 5.185 6.182 ( 1.101 1.065 1.700) 2.289 6.232 ( 0.194 0.214 -0.420) 0.510 6.454 ( 1.530 0.535 -0.479) 1.690 6.524 ( -2.110 0.957 0.930) 2.497 6.580 ( 0.158 1.723 -0.221) 1.744 6.767 ( 0.042 1.326 -0.222) 1.346 7.355 ( 0.043 0.968 0.218) 0.993 7.603 ( -1.125 -2.170 1.548) 2.893 7.640 ( 1.456 1.162 -1.377) 2.316 7.776 ( 0.738 -0.430 -2.050) 2.221 7.814 ( -2.308 0.693 0.372) 2.438 7.922 ( 0.290 -0.488 0.678) 0.884 7.991 ( -0.154 0.040 1.775) 1.782 8.038 ( 0.516 -0.090 -0.955) 1.089 8.044 ( 0.161 -2.736 -0.453) 2.778 8.216 ( 0.341 -1.290 -0.725) 1.519 8.276 ( -0.450 0.463 0.063) 0.649 8.352 ( 0.075 1.003 0.738) 1.248 8.997 ( 0.294 -0.340 0.642) 0.783 9.081 ( -0.867 -1.109 -1.468) 2.034 9.103 ( -0.705 1.114 0.045) 1.319 9.241 ( 1.231 -1.204 0.925) 1.955 11.882 ( 0.034 0.150 0.178) 0.235 11.918 ( -0.844 -0.552 -0.338) 1.063 11.958 ( 0.559 -0.401 -0.521) 0.863 11.999 ( 0.070 0.837 0.801) 1.161 15.279 ( -0.414 -0.622 -0.006) 0.747 15.355 ( -0.120 -0.833 -0.386) 0.926 15.446 ( 0.660 0.600 1.102) 1.418 15.515 ( -0.416 -0.825 -1.793) 2.017 15.714 ( -0.044 0.987 -0.258) 1.021 15.847 ( 0.606 2.277 0.628) 2.438 16.138 ( -0.085 0.357 0.594) 0.698 16.310 ( -0.198 -3.821 -0.456) 3.853 16.680 ( -1.426 -0.438 -0.477) 1.566 16.799 ( 1.779 2.183 0.264) 2.829 16.941 ( -0.686 -1.921 -0.121) 2.044 17.193 ( 1.215 -0.710 0.293) 1.437 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.727 ( -6.072 16.254 -4.638) 17.960 0.983 ( -1.393 11.305 0.067) 11.390 1.206 ( 0.713 -0.692 0.272) 1.030 1.273 ( 1.077 -0.697 0.542) 1.393 1.353 ( -0.970 3.562 -0.100) 3.693 1.443 ( 1.494 2.241 0.568) 2.753 1.461 ( -0.372 1.412 0.033) 1.461 1.593 ( 1.920 6.624 0.318) 6.904 1.661 ( -0.688 -3.314 0.068) 3.386 1.770 ( -0.252 8.597 -0.511) 8.616 1.787 ( -0.597 -0.130 -0.805) 1.011 1.928 ( 5.469 -1.805 0.112) 5.760 2.035 ( -4.061 -3.324 0.662) 5.289 2.073 ( 3.671 0.396 -1.112) 3.856 2.130 ( -3.018 2.606 0.585) 4.030 2.269 ( -0.266 -0.470 -0.665) 0.857 2.286 ( 1.262 0.446 -1.944) 2.361 2.390 ( -1.197 -1.196 0.856) 1.896 2.494 ( -0.648 6.897 -0.137) 6.928 2.572 ( 0.861 0.466 0.655) 1.178 2.634 ( -3.886 -2.446 1.100) 4.722 2.721 ( -1.971 1.455 3.226) 4.051 2.767 ( 1.033 -3.470 -4.676) 5.914 2.998 ( 2.117 -0.406 0.185) 2.164 3.225 ( -0.256 3.162 -0.059) 3.173 3.282 ( 3.227 -5.691 1.840) 6.796 3.406 ( -1.819 -5.103 1.784) 5.704 3.491 ( 0.428 -2.579 -1.066) 2.824 3.673 ( -0.909 6.220 0.076) 6.287 3.694 ( 1.774 5.157 -1.801) 5.743 3.818 ( 1.243 -7.552 1.009) 7.720 3.976 ( -2.300 -3.371 -0.132) 4.083 4.219 ( 0.320 0.658 -1.112) 1.331 4.299 ( -1.181 1.157 1.554) 2.269 4.449 ( 0.126 4.517 0.395) 4.536 4.515 ( 0.070 -1.449 -2.687) 3.054 4.701 ( -0.948 -3.531 4.855) 6.078 4.713 ( 1.804 -4.083 -1.582) 4.736 4.868 ( -0.020 -2.935 1.203) 3.172 4.889 ( 1.003 0.128 -0.070) 1.014 5.040 ( -1.221 0.790 -2.549) 2.935 5.589 ( 2.539 -1.903 0.806) 3.273 5.671 ( -0.406 4.220 1.688) 4.563 5.751 ( -2.411 3.814 -1.641) 4.802 5.947 ( -0.374 4.674 -0.387) 4.704 6.028 ( -0.856 -1.849 -0.616) 2.128 6.172 ( 0.700 1.116 0.768) 1.525 6.286 ( 1.192 -4.750 0.219) 4.903 6.460 ( 0.722 0.261 0.280) 0.817 6.537 ( -0.228 -3.197 -0.403) 3.231 6.581 ( -0.098 -1.789 0.170) 1.800 6.775 ( 0.123 -2.279 0.121) 2.285 7.352 ( -0.080 -0.463 0.105) 0.481 7.614 ( 1.588 2.708 -1.051) 3.310 7.649 ( -0.756 -3.527 1.259) 3.821 7.763 ( -1.151 0.358 0.035) 1.206 7.820 ( 0.070 -2.313 -1.183) 2.599 7.923 ( 0.485 1.127 -0.024) 1.227 7.986 ( 0.112 1.233 0.509) 1.339 8.033 ( -0.243 0.793 0.166) 0.846 8.060 ( 0.143 0.667 0.277) 0.736 8.246 ( -0.529 -1.312 2.931) 3.255 8.269 ( 0.711 -0.989 -2.687) 2.950 8.331 ( -0.119 2.083 -0.222) 2.098 8.976 ( -0.122 2.403 -0.247) 2.419 9.086 ( -0.382 -0.561 -0.243) 0.721 9.111 ( -0.197 -2.098 -0.153) 2.113 9.278 ( 1.410 -1.154 1.030) 2.093 11.879 ( 0.015 0.192 0.013) 0.193 11.920 ( -0.486 -0.614 -0.214) 0.812 11.966 ( 0.716 -0.241 -0.405) 0.857 11.988 ( -0.317 0.959 0.412) 1.091 15.297 ( 0.036 -1.648 0.470) 1.714 15.360 ( -0.092 -0.069 -0.137) 0.179 15.464 ( 1.706 -0.505 0.891) 1.990 15.512 ( -1.386 -0.917 -0.827) 1.856 15.705 ( -0.258 -0.330 -0.164) 0.450 15.806 ( -0.560 2.877 -0.104) 2.933 16.122 ( -0.204 1.605 -0.059) 1.619 16.366 ( 1.460 -2.682 -0.090) 3.055 16.683 ( -1.415 -1.462 0.542) 2.106 16.793 ( 0.984 0.098 0.118) 0.996 16.957 ( -0.025 -0.504 0.032) 0.506 17.198 ( 0.656 1.488 0.859) 1.839 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.400 ( 0.000 17.153 -0.000) 17.153 0.722 ( 0.000 19.762 -0.000) 19.762 1.124 ( 0.000 22.766 -0.000) 22.766 1.222 ( -0.000 -0.450 0.000) 0.450 1.309 ( 0.000 1.082 -0.000) 1.082 1.399 ( 0.000 3.820 -0.000) 3.820 1.445 ( 0.000 1.013 -0.000) 1.013 1.527 ( 0.000 1.878 -0.000) 1.878 1.557 ( 0.000 10.189 -0.000) 10.189 1.663 ( 0.000 1.575 -0.000) 1.575 1.856 ( -0.000 -6.115 0.000) 6.115 2.018 ( 0.000 3.424 -0.000) 3.424 2.029 ( -0.000 -3.222 0.000) 3.222 2.074 ( -0.000 -2.862 0.000) 2.862 2.108 ( -0.000 -0.292 0.000) 0.292 2.270 ( -0.000 -0.112 0.000) 0.112 2.293 ( 0.000 0.101 -0.000) 0.101 2.390 ( 0.000 5.758 -0.000) 5.758 2.433 ( -0.000 -3.680 0.000) 3.680 2.561 ( 0.000 1.711 -0.000) 1.711 2.646 ( -0.000 -0.203 0.000) 0.203 2.763 ( -0.000 -8.651 0.000) 8.651 2.817 ( -0.000 -2.579 0.000) 2.579 3.021 ( -0.000 -2.343 0.000) 2.343 3.178 ( 0.000 2.247 -0.000) 2.247 3.351 ( 0.000 0.001 -0.000) 0.001 3.459 ( -0.000 -2.128 0.000) 2.128 3.540 ( 0.000 4.122 -0.000) 4.122 3.579 ( -0.000 -2.897 0.000) 2.897 3.602 ( 0.000 7.169 -0.000) 7.169 3.915 ( -0.000 -2.690 0.000) 2.690 4.024 ( -0.000 -3.707 0.000) 3.707 4.212 ( 0.000 0.037 -0.000) 0.037 4.250 ( 0.000 4.696 -0.000) 4.696 4.416 ( -0.000 -1.193 0.000) 1.193 4.556 ( -0.000 -3.754 0.000) 3.754 4.771 ( -0.000 -3.282 0.000) 3.282 4.786 ( -0.000 -4.754 0.000) 4.754 4.870 ( 0.000 1.452 -0.000) 1.452 4.917 ( 0.000 0.110 -0.000) 0.110 5.048 ( -0.000 -4.620 0.000) 4.620 5.581 ( 0.000 7.700 -0.000) 7.700 5.609 ( 0.000 1.376 -0.000) 1.376 5.706 ( -0.000 -1.434 0.000) 1.434 5.866 ( 0.000 4.504 -0.000) 4.504 6.025 ( 0.000 1.239 -0.000) 1.239 6.180 ( -0.000 -0.977 0.000) 0.977 6.356 ( -0.000 -2.652 0.000) 2.652 6.466 ( -0.000 -0.949 0.000) 0.949 6.599 ( -0.000 -4.573 0.000) 4.573 6.622 ( -0.000 -2.968 0.000) 2.968 6.826 ( -0.000 -3.509 0.000) 3.509 7.367 ( -0.000 -1.266 0.000) 1.266 7.565 ( 0.000 3.611 -0.000) 3.611 7.717 ( -0.000 -4.051 0.000) 4.051 7.763 ( -0.000 -1.221 0.000) 1.221 7.856 ( -0.000 -2.486 0.000) 2.486 7.902 ( 0.000 1.207 -0.000) 1.207 7.965 ( 0.000 1.598 -0.000) 1.598 8.005 ( 0.000 2.718 -0.000) 2.718 8.046 ( 0.000 0.735 -0.000) 0.735 8.257 ( 0.000 0.996 -0.000) 0.996 8.282 ( 0.000 2.899 -0.000) 2.899 8.296 ( -0.000 -1.949 0.000) 1.949 8.938 ( 0.000 2.000 -0.000) 2.000 9.098 ( -0.000 -1.306 0.000) 1.306 9.135 ( -0.000 -0.987 0.000) 0.987 9.307 ( -0.000 -1.039 0.000) 1.039 11.878 ( -0.000 -0.025 0.000) 0.025 11.926 ( -0.000 -0.516 0.000) 0.516 11.970 ( 0.000 1.024 -0.000) 1.024 11.973 ( -0.000 -0.162 0.000) 0.162 15.329 ( -0.000 -1.990 0.000) 1.990 15.362 ( -0.000 -0.570 0.000) 0.570 15.474 ( 0.000 0.625 -0.000) 0.625 15.513 ( 0.000 0.297 -0.000) 0.297 15.732 ( -0.000 -3.719 0.000) 3.719 15.757 ( 0.000 2.483 -0.000) 2.483 16.084 ( 0.000 3.110 -0.000) 3.110 16.411 ( -0.000 -1.793 0.000) 1.793 16.706 ( -0.000 -1.994 0.000) 1.994 16.812 ( -0.000 -1.752 0.000) 1.752 16.955 ( 0.000 0.788 -0.000) 0.788 17.171 ( 0.000 2.634 -0.000) 2.634 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.404 ( 5.776 -0.000 6.754) 8.887 0.612 ( 15.879 -0.000 -3.885) 16.347 1.161 ( -4.563 0.000 1.364) 4.762 1.244 ( 2.339 -0.000 -0.487) 2.389 1.271 ( 5.619 -0.000 3.554) 6.648 1.401 ( 3.839 -0.000 3.842) 5.432 1.492 ( 2.812 -0.000 1.577) 3.224 1.566 ( 5.081 -0.000 4.644) 6.883 1.695 ( 0.220 -0.000 1.034) 1.057 1.739 ( 11.850 -0.000 8.979) 14.868 1.880 ( -2.012 0.000 1.323) 2.408 1.984 ( -2.028 0.000 0.373) 2.062 2.000 ( -4.978 0.000 -1.797) 5.292 2.057 ( -0.004 0.000 -0.926) 0.926 2.059 ( -0.623 0.000 2.005) 2.099 2.179 ( -3.094 0.000 1.979) 3.672 2.194 ( 0.342 -0.000 -0.575) 0.669 2.437 ( 1.176 -0.000 -0.732) 1.385 2.503 ( 3.343 -0.000 2.613) 4.243 2.522 ( 1.320 -0.000 -4.703) 4.884 2.678 ( 1.647 -0.000 3.852) 4.189 2.848 ( -0.067 0.000 1.557) 1.559 2.987 ( -4.908 0.000 -5.710) 7.529 3.090 ( -3.322 0.000 0.678) 3.390 3.203 ( 2.390 -0.000 -1.948) 3.083 3.205 ( -2.660 0.000 -2.161) 3.427 3.343 ( -1.299 0.000 -3.959) 4.167 3.497 ( 5.387 -0.000 -0.289) 5.395 3.553 ( -6.728 0.000 -0.094) 6.729 3.657 ( 5.302 -0.000 2.823) 6.007 3.815 ( -2.768 0.000 -0.857) 2.897 4.060 ( -1.710 0.000 -1.615) 2.352 4.069 ( -2.160 0.000 1.322) 2.533 4.180 ( 2.090 -0.000 1.816) 2.769 4.535 ( -1.475 0.000 -5.386) 5.584 4.557 ( -1.181 0.000 -4.735) 4.880 4.604 ( 7.401 -0.000 -3.814) 8.326 4.817 ( -1.860 0.000 -1.984) 2.719 4.914 ( 0.048 -0.000 0.942) 0.943 4.994 ( -2.678 0.000 7.522) 7.985 5.302 ( 4.588 -0.000 -0.183) 4.591 5.331 ( 0.122 -0.000 -0.225) 0.256 5.628 ( -1.278 0.000 0.676) 1.446 5.691 ( 4.187 -0.000 0.561) 4.225 5.874 ( -3.337 0.000 -2.065) 3.924 5.965 ( -0.491 0.000 3.144) 3.183 6.154 ( -1.572 0.000 -0.536) 1.661 6.256 ( -5.291 0.000 -0.604) 5.325 6.525 ( 1.294 -0.000 0.661) 1.453 6.656 ( -0.120 0.000 -1.154) 1.160 6.745 ( 1.019 -0.000 0.412) 1.100 6.805 ( 0.598 -0.000 0.417) 0.729 7.434 ( 1.511 -0.000 0.734) 1.680 7.483 ( -1.089 0.000 1.905) 2.194 7.675 ( -3.919 0.000 -1.525) 4.205 7.821 ( 1.522 -0.000 1.501) 2.137 7.873 ( 0.586 -0.000 -3.405) 3.455 7.903 ( -1.487 0.000 -0.365) 1.532 7.914 ( -0.971 0.000 3.006) 3.159 7.933 ( 0.493 -0.000 -0.148) 0.515 8.053 ( 1.197 -0.000 -2.479) 2.753 8.169 ( -0.222 0.000 -4.907) 4.912 8.210 ( 1.155 -0.000 2.454) 2.712 8.405 ( 0.182 -0.000 2.929) 2.935 8.910 ( -0.730 0.000 0.941) 1.191 9.040 ( -0.904 0.000 -1.400) 1.666 9.173 ( 0.762 -0.000 0.626) 0.987 9.217 ( 0.106 -0.000 0.447) 0.460 11.874 ( -0.228 0.000 0.911) 0.939 11.920 ( -0.904 0.000 -0.838) 1.233 11.938 ( 0.213 -0.000 -0.248) 0.327 12.015 ( 0.472 -0.000 1.411) 1.488 15.341 ( -0.596 0.000 -1.057) 1.213 15.394 ( 1.261 -0.000 -2.456) 2.760 15.421 ( -1.254 0.000 1.372) 1.859 15.428 ( -0.880 0.000 -3.966) 4.063 15.854 ( 0.689 -0.000 -2.677) 2.765 15.908 ( 6.571 -0.000 -1.005) 6.647 16.029 ( -0.324 0.000 3.033) 3.050 16.120 ( -2.665 0.000 4.396) 5.141 16.736 ( -0.850 0.000 -2.165) 2.326 16.798 ( -1.593 0.000 0.103) 1.596 16.975 ( 4.341 -0.000 -1.082) 4.474 17.022 ( 3.195 -0.000 -0.399) 3.220 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.718 ( 3.139 -22.725 4.377) 23.355 0.780 ( 10.145 -8.196 -3.240) 13.438 1.153 ( -2.957 -2.449 1.194) 4.021 1.241 ( 1.129 1.586 0.104) 1.950 1.330 ( 1.619 -1.530 0.520) 2.287 1.444 ( 2.246 -0.292 0.598) 2.343 1.517 ( 2.898 1.773 1.042) 3.553 1.574 ( 1.038 3.188 2.102) 3.957 1.707 ( -0.889 -0.666 0.604) 1.265 1.819 ( 3.852 3.599 5.017) 7.278 1.908 ( 2.293 1.935 0.839) 3.115 1.920 ( -1.089 2.211 0.076) 2.466 2.011 ( -0.818 -2.972 -0.886) 3.208 2.055 ( 0.313 0.136 0.255) 0.426 2.080 ( 0.091 -0.807 7.887) 7.929 2.189 ( -2.678 -2.549 0.267) 3.707 2.238 ( 3.944 -2.881 2.167) 5.343 2.447 ( 0.813 -2.159 -2.026) 3.070 2.508 ( 1.968 1.010 -1.876) 2.901 2.569 ( 3.243 -2.689 0.266) 4.222 2.691 ( 1.498 3.081 2.966) 4.531 2.878 ( -1.066 -0.438 5.149) 5.276 2.898 ( -4.631 0.650 -5.081) 6.905 3.015 ( -1.018 5.033 -2.615) 5.762 3.159 ( -0.910 1.848 0.170) 2.067 3.209 ( -0.481 -0.026 -2.813) 2.854 3.305 ( -1.271 -0.713 -2.991) 3.327 3.465 ( -4.365 2.724 -3.226) 6.073 3.556 ( 1.059 -2.265 1.327) 2.831 3.723 ( 3.182 -0.674 3.821) 5.018 3.805 ( -1.400 -1.265 -1.759) 2.579 4.018 ( -3.161 0.610 -3.050) 4.435 4.107 ( -0.756 -5.386 0.726) 5.487 4.217 ( 1.624 -0.502 1.227) 2.097 4.508 ( 0.007 -1.355 -2.616) 2.946 4.565 ( 0.463 -2.593 -1.711) 3.141 4.631 ( 5.028 0.035 -4.453) 6.716 4.756 ( -2.470 4.187 -0.520) 4.889 4.876 ( -0.593 4.544 0.829) 4.657 5.006 ( -1.483 1.122 3.663) 4.108 5.208 ( 1.504 7.311 -0.135) 7.465 5.454 ( 3.118 -5.487 -0.206) 6.315 5.615 ( -2.856 -1.417 0.015) 3.188 5.769 ( 6.028 -3.358 0.458) 6.915 5.853 ( -1.052 -1.500 -1.468) 2.348 5.966 ( -3.952 0.095 3.064) 5.001 6.153 ( -0.690 -1.549 -0.215) 1.709 6.219 ( -4.008 -1.190 -0.995) 4.298 6.524 ( 2.239 2.235 0.354) 3.184 6.623 ( -1.519 2.654 -0.627) 3.122 6.711 ( 0.270 5.008 0.759) 5.072 6.816 ( 0.407 0.004 -0.231) 0.468 7.420 ( 0.673 2.517 0.556) 2.664 7.528 ( -0.283 -3.484 2.760) 4.454 7.632 ( -2.180 0.052 -3.025) 3.729 7.806 ( 1.562 2.383 -0.183) 2.856 7.867 ( -2.068 1.631 0.495) 2.680 7.893 ( -0.022 -1.225 -1.400) 1.861 7.929 ( -0.331 -2.393 -0.322) 2.437 7.962 ( 0.201 -1.354 3.720) 3.964 8.041 ( 1.147 0.579 -2.608) 2.907 8.161 ( -0.123 -2.162 -3.315) 3.960 8.247 ( 0.450 -1.758 1.341) 2.256 8.406 ( 0.081 1.705 1.957) 2.597 8.930 ( -0.513 -2.547 0.859) 2.736 9.031 ( -0.956 -0.714 -1.461) 1.886 9.191 ( 0.593 -0.277 0.624) 0.905 9.203 ( 0.120 1.445 0.262) 1.473 11.880 ( -0.136 -0.240 0.850) 0.894 11.908 ( -0.768 -0.049 -0.812) 1.119 11.942 ( 0.194 -0.412 -0.263) 0.526 12.022 ( 0.355 0.447 1.032) 1.179 15.301 ( -0.414 2.276 -0.702) 2.417 15.365 ( 0.050 1.941 -1.374) 2.379 15.428 ( -0.968 -2.297 -0.001) 2.492 15.457 ( 0.179 -2.886 -1.457) 3.238 15.807 ( 0.611 4.076 -1.376) 4.345 15.921 ( 3.449 2.547 0.680) 4.341 16.097 ( 0.374 -4.164 2.087) 4.673 16.151 ( -2.045 -3.857 0.475) 4.392 16.698 ( -1.217 1.613 -1.156) 2.328 16.826 ( -0.648 -3.563 0.122) 3.624 16.936 ( 2.370 4.927 -0.510) 5.491 17.106 ( 2.422 -4.457 -0.301) 5.081 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.960 ( 2.480 -7.775 -0.397) 8.171 1.067 ( 1.986 -14.010 1.470) 14.226 1.167 ( 2.088 5.057 -0.311) 5.480 1.249 ( -2.211 -5.961 1.350) 6.500 1.308 ( -0.188 4.448 -1.343) 4.651 1.457 ( 0.515 0.041 -0.030) 0.518 1.505 ( 0.927 -0.736 -0.125) 1.190 1.588 ( 3.478 2.057 3.702) 5.480 1.687 ( -3.258 -1.592 -1.457) 3.908 1.805 ( -0.306 1.257 0.318) 1.333 1.848 ( 1.029 6.476 -0.315) 6.565 1.911 ( 0.496 -0.766 1.085) 1.418 2.035 ( 0.877 0.175 -1.189) 1.487 2.076 ( 2.200 -2.643 -1.018) 3.586 2.143 ( -1.011 0.127 7.937) 8.002 2.209 ( -2.365 -2.875 -0.132) 3.725 2.319 ( 2.632 -0.433 0.520) 2.717 2.482 ( 2.342 1.702 1.853) 3.438 2.507 ( 0.505 -3.179 -2.826) 4.283 2.617 ( 0.390 -0.717 -3.067) 3.174 2.636 ( -0.619 4.853 2.275) 5.395 2.808 ( -1.684 4.475 -1.878) 5.137 2.868 ( -1.668 4.803 3.593) 6.226 2.975 ( 2.302 -1.471 -1.653) 3.193 3.122 ( -0.914 -0.637 -1.661) 2.000 3.205 ( -0.202 -2.443 1.119) 2.695 3.335 ( -0.267 -1.437 0.010) 1.461 3.389 ( -2.747 -1.522 -2.971) 4.323 3.603 ( 0.392 -3.182 0.762) 3.295 3.766 ( -0.251 0.178 4.675) 4.685 3.798 ( 1.204 0.236 -3.997) 4.181 3.964 ( -2.077 1.254 -2.187) 3.267 4.206 ( 1.043 -5.902 -0.782) 6.044 4.229 ( -0.704 -0.436 0.921) 1.238 4.530 ( -0.524 -1.216 -0.673) 1.486 4.577 ( 3.945 2.884 -0.404) 4.903 4.646 ( -2.868 2.370 -0.359) 3.738 4.692 ( 1.173 -3.706 -0.811) 3.971 4.790 ( -0.815 5.494 0.260) 5.561 4.975 ( 0.056 3.144 1.050) 3.315 5.115 ( -0.328 4.765 -0.742) 4.833 5.525 ( 1.788 -1.480 0.450) 2.364 5.652 ( -0.812 -4.672 -0.105) 4.743 5.846 ( 1.670 -0.214 0.131) 1.689 5.903 ( 3.701 -4.436 -4.098) 7.083 5.943 ( -5.594 -1.473 4.472) 7.312 6.185 ( -0.322 -2.118 1.691) 2.729 6.215 ( -0.880 -1.693 -1.762) 2.597 6.501 ( 3.183 3.247 -0.817) 4.620 6.549 ( -3.399 3.709 1.141) 5.159 6.631 ( 0.165 4.754 0.037) 4.757 6.798 ( 0.084 2.177 -0.243) 2.192 7.386 ( 0.184 2.459 0.254) 2.479 7.577 ( -0.993 -1.061 2.135) 2.583 7.629 ( 0.603 -2.635 -2.386) 3.606 7.785 ( 2.269 1.629 -1.579) 3.209 7.818 ( -3.012 2.085 1.075) 3.817 7.909 ( -0.114 -1.502 0.252) 1.527 7.981 ( 0.043 -4.215 -0.534) 4.248 7.998 ( -0.427 -0.601 2.858) 2.952 8.033 ( 1.016 -0.198 -2.192) 2.424 8.186 ( 0.162 -2.206 -1.195) 2.514 8.274 ( -0.177 -0.696 0.367) 0.807 8.382 ( 0.035 2.111 0.844) 2.273 8.984 ( 0.388 -3.150 1.334) 3.443 9.026 ( -1.256 -1.137 -1.828) 2.493 9.151 ( 0.045 3.701 0.173) 3.705 9.228 ( 0.538 -1.843 0.421) 1.966 11.886 ( 0.059 0.055 0.482) 0.488 11.901 ( -0.539 -0.437 -0.517) 0.865 11.950 ( 0.136 -0.582 -0.233) 0.641 12.019 ( 0.166 0.832 0.535) 1.002 15.272 ( -0.297 0.574 -0.220) 0.683 15.344 ( -0.006 0.086 -0.351) 0.362 15.452 ( -0.358 -1.262 0.810) 1.541 15.486 ( 0.215 -1.410 -1.557) 2.112 15.745 ( 0.168 3.210 -0.375) 3.237 15.901 ( 1.063 2.958 0.584) 3.197 16.143 ( -0.069 -0.406 1.136) 1.209 16.220 ( -0.539 -6.235 -0.725) 6.300 16.667 ( -0.812 0.527 -0.460) 1.071 16.864 ( 1.572 2.843 0.478) 3.283 16.891 ( -0.803 -2.118 -0.552) 2.332 17.178 ( 1.080 -2.724 0.025) 2.931 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.955 ( 0.000 13.842 -0.000) 13.842 1.072 ( 0.000 1.504 -0.000) 1.504 1.225 ( -0.000 -5.974 0.000) 5.974 1.234 ( 0.000 3.395 -0.000) 3.395 1.350 ( -0.000 -3.674 0.000) 3.674 1.458 ( 0.000 0.029 -0.000) 0.029 1.519 ( 0.000 4.201 -0.000) 4.201 1.575 ( -0.000 -4.035 0.000) 4.035 1.729 ( 0.000 7.939 -0.000) 7.939 1.770 ( -0.000 -7.367 0.000) 7.367 1.790 ( 0.000 1.343 -0.000) 1.343 1.945 ( -0.000 -2.688 0.000) 2.688 2.012 ( 0.000 3.357 -0.000) 3.357 2.119 ( 0.000 2.920 -0.000) 2.920 2.130 ( -0.000 -0.883 0.000) 0.883 2.242 ( -0.000 -2.323 0.000) 2.323 2.302 ( 0.000 1.858 -0.000) 1.858 2.430 ( 0.000 5.716 -0.000) 5.716 2.558 ( -0.000 -2.239 0.000) 2.239 2.590 ( -0.000 -0.284 0.000) 0.284 2.594 ( 0.000 3.659 -0.000) 3.659 2.725 ( 0.000 1.579 -0.000) 1.579 2.791 ( 0.000 5.343 -0.000) 5.343 3.006 ( -0.000 -0.593 0.000) 0.593 3.189 ( -0.000 -7.229 0.000) 7.229 3.256 ( -0.000 -1.026 0.000) 1.026 3.323 ( -0.000 -2.259 0.000) 2.259 3.439 ( -0.000 -3.935 0.000) 3.935 3.694 ( -0.000 -7.625 0.000) 7.625 3.759 ( 0.000 3.584 -0.000) 3.584 3.759 ( 0.000 2.935 -0.000) 2.935 3.935 ( -0.000 -0.168 0.000) 0.168 4.225 ( 0.000 0.214 -0.000) 0.214 4.287 ( -0.000 -2.806 0.000) 2.806 4.506 ( 0.000 1.865 -0.000) 1.865 4.529 ( 0.000 4.276 -0.000) 4.276 4.649 ( -0.000 -3.390 0.000) 3.390 4.709 ( 0.000 2.925 -0.000) 2.925 4.784 ( -0.000 -5.769 0.000) 5.769 4.932 ( 0.000 2.815 -0.000) 2.815 5.052 ( 0.000 2.468 -0.000) 2.468 5.563 ( -0.000 -2.421 0.000) 2.421 5.701 ( -0.000 -1.173 0.000) 1.173 5.808 ( 0.000 4.631 -0.000) 4.631 5.963 ( -0.000 -4.538 0.000) 4.538 5.983 ( -0.000 -0.994 0.000) 0.994 6.204 ( 0.000 1.046 -0.000) 1.046 6.233 ( -0.000 -2.219 0.000) 2.219 6.475 ( 0.000 1.445 -0.000) 1.445 6.501 ( -0.000 -0.197 0.000) 0.197 6.580 ( 0.000 1.690 -0.000) 1.690 6.766 ( 0.000 1.156 -0.000) 1.156 7.357 ( 0.000 1.138 -0.000) 1.138 7.601 ( -0.000 -2.282 0.000) 2.282 7.649 ( 0.000 0.528 -0.000) 0.528 7.771 ( 0.000 1.461 -0.000) 1.461 7.788 ( -0.000 -0.882 0.000) 0.882 7.929 ( -0.000 -0.642 0.000) 0.642 8.003 ( 0.000 0.572 -0.000) 0.572 8.036 ( -0.000 -0.496 0.000) 0.496 8.043 ( -0.000 -2.830 0.000) 2.830 8.216 ( -0.000 -2.097 0.000) 2.097 8.271 ( 0.000 0.781 -0.000) 0.781 8.357 ( 0.000 1.457 -0.000) 1.457 9.005 ( 0.000 1.106 -0.000) 1.106 9.059 ( -0.000 -3.937 0.000) 3.937 9.099 ( 0.000 2.502 -0.000) 2.502 9.261 ( -0.000 -1.801 0.000) 1.801 11.883 ( 0.000 0.315 -0.000) 0.315 11.907 ( -0.000 -0.659 0.000) 0.659 11.960 ( -0.000 -0.614 0.000) 0.614 12.005 ( 0.000 1.099 -0.000) 1.099 15.275 ( -0.000 -1.054 0.000) 1.054 15.351 ( -0.000 -0.780 0.000) 0.780 15.472 ( -0.000 -0.806 0.000) 0.806 15.488 ( -0.000 -0.040 0.000) 0.040 15.711 ( 0.000 1.169 -0.000) 1.169 15.856 ( 0.000 3.389 -0.000) 3.389 16.140 ( 0.000 0.816 -0.000) 0.816 16.308 ( -0.000 -5.105 0.000) 5.105 16.663 ( -0.000 -0.568 0.000) 0.568 16.818 ( 0.000 2.527 -0.000) 2.527 16.933 ( -0.000 -2.392 0.000) 2.392 17.209 ( -0.000 -0.652 0.000) 0.652 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.534 ( 2.376 -0.000 2.762) 3.643 0.774 ( 6.379 -0.000 -1.864) 6.646 1.111 ( -2.371 0.000 1.026) 2.584 1.276 ( 1.553 -0.000 -0.365) 1.595 1.320 ( 0.697 -0.000 0.390) 0.799 1.461 ( 1.356 -0.000 0.140) 1.363 1.553 ( 1.833 -0.000 1.694) 2.496 1.644 ( 1.305 -0.000 0.926) 1.600 1.673 ( -1.697 0.000 -1.217) 2.088 1.864 ( -1.772 0.000 0.597) 1.870 1.924 ( -0.758 0.000 -0.923) 1.194 1.948 ( 0.269 -0.000 0.302) 0.404 1.996 ( 1.325 -0.000 1.024) 1.675 2.074 ( -0.168 0.000 2.396) 2.402 2.094 ( 0.746 -0.000 1.777) 1.927 2.166 ( -1.443 0.000 2.397) 2.797 2.308 ( 9.532 -0.000 7.002) 11.827 2.393 ( -0.523 0.000 -3.779) 3.815 2.547 ( -0.052 0.000 -1.344) 1.345 2.558 ( 3.100 -0.000 -0.086) 3.101 2.738 ( -0.114 0.000 2.921) 2.923 2.824 ( -4.750 0.000 -4.871) 6.803 2.884 ( 0.145 -0.000 2.702) 2.706 3.041 ( -1.922 0.000 -0.392) 1.961 3.164 ( -0.081 0.000 -0.881) 0.885 3.200 ( 0.235 -0.000 -1.504) 1.522 3.291 ( 0.982 -0.000 -2.330) 2.529 3.415 ( -6.546 0.000 -1.363) 6.687 3.565 ( 2.142 -0.000 0.410) 2.181 3.765 ( 2.736 -0.000 2.200) 3.511 3.778 ( -0.782 0.000 -0.430) 0.893 3.977 ( -2.983 0.000 -2.375) 3.813 4.055 ( -0.770 0.000 0.598) 0.975 4.239 ( 1.545 -0.000 0.997) 1.839 4.494 ( 0.769 -0.000 -1.921) 2.069 4.495 ( -0.665 0.000 -2.392) 2.482 4.676 ( 4.618 -0.000 -2.290) 5.155 4.768 ( -2.642 0.000 0.543) 2.697 4.915 ( -0.534 0.000 0.406) 0.671 5.020 ( -0.933 0.000 2.422) 2.596 5.325 ( -0.091 0.000 -0.345) 0.357 5.398 ( 5.538 -0.000 0.470) 5.557 5.566 ( -4.928 0.000 -0.599) 4.964 5.800 ( 6.534 -0.000 0.176) 6.536 5.832 ( -0.061 0.000 -0.761) 0.763 5.944 ( -5.276 0.000 2.485) 5.832 6.129 ( -0.086 0.000 -1.068) 1.072 6.173 ( -2.908 0.000 -0.276) 2.921 6.559 ( 1.118 -0.000 0.951) 1.467 6.635 ( -0.549 0.000 -1.049) 1.184 6.762 ( 0.416 -0.000 0.213) 0.467 6.816 ( 0.278 -0.000 0.189) 0.336 7.464 ( 0.856 -0.000 0.430) 0.958 7.491 ( -0.389 0.000 1.425) 1.478 7.606 ( -1.674 0.000 -1.308) 2.124 7.853 ( 0.962 -0.000 0.454) 1.064 7.853 ( 0.150 -0.000 -1.180) 1.189 7.879 ( -0.650 0.000 -0.305) 0.719 7.904 ( -1.065 0.000 -0.122) 1.072 7.973 ( 0.791 -0.000 2.545) 2.665 8.046 ( 0.329 -0.000 -0.859) 0.920 8.116 ( -0.381 0.000 -2.897) 2.922 8.244 ( 0.457 -0.000 0.930) 1.036 8.430 ( 0.095 -0.000 1.027) 1.031 8.905 ( -0.478 0.000 0.295) 0.562 9.018 ( -0.270 0.000 -0.522) 0.588 9.189 ( 0.377 -0.000 0.289) 0.475 9.222 ( 0.020 -0.000 0.203) 0.204 11.882 ( -0.086 0.000 0.949) 0.953 11.897 ( -0.445 0.000 -0.927) 1.028 11.940 ( 0.128 -0.000 -0.083) 0.153 12.033 ( 0.195 -0.000 0.562) 0.595 15.324 ( -0.266 0.000 -0.423) 0.500 15.387 ( -0.442 0.000 -1.190) 1.269 15.388 ( 0.389 -0.000 -0.929) 1.007 15.416 ( -0.433 0.000 0.443) 0.619 15.841 ( 0.303 -0.000 -1.041) 1.085 15.982 ( 2.729 -0.000 -0.416) 2.760 16.051 ( -0.110 0.000 1.204) 1.209 16.122 ( -0.992 0.000 1.486) 1.787 16.707 ( -0.587 0.000 -0.575) 0.822 16.781 ( -0.502 0.000 -0.003) 0.502 17.021 ( 1.626 -0.000 -0.189) 1.637 17.059 ( 1.243 -0.000 -0.133) 1.250 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.774 ( -0.000 -22.027 0.000) 22.027 0.852 ( -0.000 -6.520 0.000) 6.520 1.135 ( -0.000 -4.141 0.000) 4.141 1.250 ( 0.000 3.055 -0.000) 3.055 1.346 ( -0.000 -0.856 0.000) 0.856 1.463 ( 0.000 0.340 -0.000) 0.340 1.563 ( 0.000 6.699 -0.000) 6.699 1.588 ( -0.000 -2.577 0.000) 2.577 1.685 ( 0.000 0.609 -0.000) 0.609 1.834 ( 0.000 2.485 -0.000) 2.485 1.913 ( 0.000 0.439 -0.000) 0.439 1.938 ( 0.000 3.413 -0.000) 3.413 2.016 ( -0.000 -3.236 0.000) 3.236 2.054 ( 0.000 1.577 -0.000) 1.577 2.141 ( -0.000 -3.153 0.000) 3.153 2.172 ( -0.000 -0.449 0.000) 0.449 2.356 ( 0.000 1.085 -0.000) 1.085 2.434 ( -0.000 -3.613 0.000) 3.613 2.524 ( 0.000 0.883 -0.000) 0.883 2.582 ( -0.000 -1.196 0.000) 1.196 2.725 ( 0.000 3.111 -0.000) 3.111 2.804 ( -0.000 -1.624 0.000) 1.624 2.923 ( -0.000 -3.398 0.000) 3.398 2.968 ( 0.000 6.678 -0.000) 6.678 3.145 ( 0.000 2.758 -0.000) 2.758 3.189 ( 0.000 0.043 -0.000) 0.043 3.296 ( -0.000 -1.798 0.000) 1.798 3.375 ( 0.000 1.156 -0.000) 1.156 3.581 ( -0.000 -0.771 0.000) 0.771 3.777 ( -0.000 -0.554 0.000) 0.554 3.785 ( -0.000 -0.253 0.000) 0.253 3.956 ( 0.000 0.083 -0.000) 0.083 4.105 ( -0.000 -5.855 0.000) 5.855 4.240 ( 0.000 0.861 -0.000) 0.861 4.491 ( -0.000 -1.943 0.000) 1.943 4.557 ( -0.000 -6.102 0.000) 6.102 4.664 ( 0.000 3.280 -0.000) 3.280 4.725 ( 0.000 3.694 -0.000) 3.694 4.873 ( 0.000 4.595 -0.000) 4.595 5.014 ( 0.000 1.341 -0.000) 1.341 5.218 ( 0.000 8.152 -0.000) 8.152 5.531 ( 0.000 0.317 -0.000) 0.317 5.536 ( -0.000 -8.244 0.000) 8.244 5.836 ( -0.000 -0.929 0.000) 0.929 5.862 ( -0.000 -3.146 0.000) 3.146 5.919 ( 0.000 0.386 -0.000) 0.386 6.146 ( -0.000 -2.486 0.000) 2.486 6.172 ( -0.000 -1.620 0.000) 1.620 6.559 ( 0.000 1.202 -0.000) 1.202 6.593 ( 0.000 4.022 -0.000) 4.022 6.718 ( 0.000 5.215 -0.000) 5.215 6.819 ( 0.000 0.376 -0.000) 0.376 7.431 ( 0.000 2.848 -0.000) 2.848 7.553 ( -0.000 -5.006 0.000) 5.006 7.584 ( 0.000 0.945 -0.000) 0.945 7.828 ( 0.000 2.173 -0.000) 2.173 7.842 ( 0.000 2.288 -0.000) 2.288 7.883 ( -0.000 -1.395 0.000) 1.395 7.924 ( -0.000 -2.749 0.000) 2.749 7.995 ( -0.000 -0.906 0.000) 0.906 8.032 ( 0.000 0.709 -0.000) 0.709 8.138 ( -0.000 -3.101 0.000) 3.101 8.259 ( -0.000 -1.089 0.000) 1.089 8.418 ( 0.000 1.817 -0.000) 1.817 8.930 ( -0.000 -3.097 0.000) 3.097 9.015 ( 0.000 0.075 -0.000) 0.075 9.203 ( 0.000 2.481 -0.000) 2.481 9.204 ( -0.000 -1.424 0.000) 1.424 11.889 ( -0.000 -0.393 0.000) 0.393 11.891 ( 0.000 0.082 -0.000) 0.082 11.943 ( -0.000 -0.336 0.000) 0.336 12.031 ( 0.000 0.468 -0.000) 0.468 15.293 ( 0.000 2.242 -0.000) 2.242 15.357 ( 0.000 1.633 -0.000) 1.633 15.418 ( -0.000 -2.605 0.000) 2.605 15.451 ( -0.000 -2.747 0.000) 2.747 15.804 ( 0.000 3.802 -0.000) 3.802 15.956 ( 0.000 3.063 -0.000) 3.063 16.115 ( -0.000 -5.903 0.000) 5.903 16.135 ( -0.000 -1.140 0.000) 1.140 16.680 ( 0.000 1.750 -0.000) 1.750 16.820 ( -0.000 -4.019 0.000) 4.019 16.955 ( 0.000 5.498 -0.000) 5.498 17.127 ( -0.000 -4.335 0.000) 4.335 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.353 ( -8.099 0.000 16.451) 18.337 0.447 ( -9.083 0.000 20.236) 22.181 0.848 ( 0.447 -0.000 35.422) 35.425 1.213 ( -0.517 0.000 -0.106) 0.528 1.325 ( -3.819 0.000 3.405) 5.117 1.398 ( -1.024 0.000 -1.484) 1.803 1.405 ( 0.639 -0.000 0.917) 1.118 1.456 ( -1.381 0.000 5.766) 5.929 1.630 ( 2.698 -0.000 0.803) 2.815 1.633 ( -1.483 0.000 2.733) 3.109 1.910 ( 0.825 -0.000 -3.285) 3.387 1.999 ( -0.549 0.000 0.784) 0.957 2.030 ( 3.092 -0.000 -1.261) 3.339 2.082 ( -3.118 0.000 0.255) 3.129 2.151 ( -4.630 0.000 0.641) 4.675 2.204 ( 0.201 -0.000 -3.646) 3.652 2.282 ( 1.917 -0.000 -1.038) 2.180 2.339 ( 5.790 -0.000 2.212) 6.198 2.411 ( 7.952 -0.000 -3.422) 8.657 2.504 ( -3.492 0.000 -0.982) 3.627 2.611 ( -0.570 0.000 -3.890) 3.931 2.710 ( 5.694 -0.000 -7.401) 9.338 3.086 ( -0.868 0.000 -3.061) 3.182 3.166 ( -1.903 0.000 3.284) 3.796 3.242 ( 2.701 -0.000 -5.591) 6.210 3.308 ( -5.685 0.000 7.594) 9.486 3.358 ( -4.695 0.000 1.454) 4.915 3.382 ( -0.732 0.000 4.059) 4.125 3.607 ( -0.148 0.000 7.991) 7.993 3.639 ( -0.176 0.000 -3.576) 3.580 3.833 ( 3.054 -0.000 -4.045) 5.068 4.059 ( -0.927 0.000 3.415) 3.539 4.080 ( 2.154 -0.000 -0.606) 2.238 4.183 ( -1.529 0.000 0.749) 1.703 4.464 ( -2.261 0.000 -7.396) 7.734 4.600 ( -0.397 0.000 -4.496) 4.513 4.709 ( -5.275 0.000 -5.103) 7.339 4.797 ( 1.324 -0.000 -7.137) 7.259 4.852 ( 2.643 -0.000 2.756) 3.819 5.145 ( -0.976 0.000 4.520) 4.624 5.247 ( -0.503 0.000 0.870) 1.005 5.345 ( -1.637 0.000 3.350) 3.728 5.669 ( -0.703 0.000 -0.058) 0.705 5.706 ( -3.748 0.000 -2.738) 4.641 5.833 ( 5.296 -0.000 2.420) 5.822 5.995 ( -1.845 0.000 -0.061) 1.846 6.219 ( -0.433 0.000 1.958) 2.006 6.378 ( -1.090 0.000 -0.699) 1.295 6.487 ( 0.647 -0.000 -0.614) 0.893 6.639 ( 3.819 -0.000 -4.880) 6.197 6.654 ( -0.436 0.000 -0.211) 0.485 6.811 ( -0.194 0.000 0.626) 0.656 7.397 ( 0.576 -0.000 0.411) 0.707 7.654 ( -6.582 0.000 2.388) 7.001 7.747 ( 2.471 -0.000 0.449) 2.512 7.780 ( -1.499 0.000 -0.971) 1.786 7.838 ( 0.886 -0.000 -4.843) 4.924 7.917 ( 0.889 -0.000 -0.443) 0.993 7.944 ( -0.898 0.000 2.091) 2.275 7.952 ( -2.208 0.000 0.032) 2.209 8.102 ( -3.416 0.000 0.009) 3.416 8.173 ( -0.077 0.000 -5.781) 5.782 8.204 ( -5.080 0.000 4.474) 6.769 8.384 ( 1.229 -0.000 2.423) 2.717 8.939 ( -0.971 0.000 2.753) 2.919 9.089 ( -1.628 0.000 0.190) 1.639 9.122 ( 2.653 -0.000 -1.326) 2.966 9.164 ( 2.722 -0.000 0.297) 2.738 11.880 ( -0.168 0.000 1.133) 1.145 11.932 ( 0.506 -0.000 -0.870) 1.006 11.954 ( -0.776 0.000 0.285) 0.827 11.989 ( 1.036 -0.000 0.863) 1.349 15.356 ( 0.752 -0.000 -2.097) 2.227 15.365 ( -0.853 0.000 -0.711) 1.110 15.481 ( -2.236 0.000 2.733) 3.531 15.510 ( -8.467 0.000 0.371) 8.475 15.721 ( 0.969 -0.000 0.335) 1.025 15.835 ( 0.351 -0.000 -3.474) 3.492 16.027 ( 0.494 -0.000 2.813) 2.856 16.183 ( 5.489 -0.000 -0.962) 5.572 16.862 ( -2.561 0.000 -0.003) 2.561 16.868 ( 0.889 -0.000 0.468) 1.004 16.913 ( -14.744 0.000 0.470) 14.751 16.925 ( -1.376 0.000 -0.113) 1.381 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.414 ( 0.573 -11.226 8.956) 14.372 0.684 ( 1.687 -11.940 15.319) 19.496 1.145 ( 2.618 -9.063 19.951) 22.069 1.215 ( 0.653 -1.112 -0.934) 1.592 1.315 ( -4.833 -0.484 3.473) 5.971 1.390 ( -0.795 -1.281 -1.083) 1.856 1.446 ( 0.596 -2.244 1.942) 3.027 1.509 ( 1.138 -2.238 10.343) 10.643 1.600 ( -0.099 2.751 2.660) 3.828 1.686 ( 2.442 -1.927 0.942) 3.250 1.908 ( 0.240 0.004 -2.465) 2.477 1.989 ( 0.530 1.720 2.411) 3.009 2.017 ( -1.599 3.324 -2.941) 4.718 2.046 ( 2.501 0.182 -3.379) 4.208 2.112 ( -3.263 0.614 -0.410) 3.346 2.218 ( -0.198 -2.822 -1.111) 3.040 2.299 ( 0.327 -1.304 -0.825) 1.577 2.389 ( 3.750 0.938 2.863) 4.810 2.436 ( 3.605 0.685 -3.811) 5.290 2.501 ( -1.003 -2.392 1.596) 3.045 2.583 ( 0.729 0.133 -6.226) 6.270 2.738 ( 6.213 -1.258 -5.689) 8.518 3.045 ( -2.332 8.554 4.184) 9.804 3.057 ( -1.935 -0.348 -3.498) 4.012 3.224 ( -2.648 5.914 5.448) 8.465 3.267 ( -1.133 0.186 -2.921) 3.139 3.376 ( -1.754 -3.398 -0.201) 3.829 3.472 ( -0.729 -5.939 2.532) 6.497 3.601 ( -1.186 0.904 -1.224) 1.929 3.677 ( -0.241 -2.540 8.349) 8.730 3.855 ( 1.588 -1.738 -3.505) 4.222 4.054 ( 0.263 0.862 -1.140) 1.453 4.126 ( -0.347 -2.275 -2.975) 3.761 4.210 ( -0.032 -3.350 3.059) 4.537 4.398 ( 1.380 1.978 -5.680) 6.170 4.562 ( -0.338 0.469 -4.439) 4.477 4.667 ( -4.114 -4.021 -5.476) 7.942 4.730 ( 1.945 4.715 -5.198) 7.283 4.871 ( 1.157 2.059 2.427) 3.387 5.103 ( -3.127 4.756 3.686) 6.781 5.189 ( -0.544 4.770 4.205) 6.382 5.424 ( -0.274 -5.998 -0.848) 6.064 5.644 ( -0.410 0.835 1.589) 1.842 5.676 ( -1.706 -0.410 -0.793) 1.926 5.885 ( 4.027 0.157 1.475) 4.291 5.995 ( -2.574 -2.800 0.181) 3.808 6.202 ( -0.582 2.609 0.795) 2.789 6.351 ( -0.984 1.407 -2.497) 3.030 6.464 ( 0.354 1.448 0.790) 1.687 6.634 ( 0.466 1.421 -1.291) 1.976 6.675 ( 1.257 -1.081 -0.937) 1.905 6.818 ( -0.173 -0.227 -0.777) 0.828 7.393 ( 0.715 1.684 0.772) 1.986 7.602 ( -4.207 0.109 4.156) 5.914 7.709 ( -1.396 3.746 -3.733) 5.469 7.758 ( 0.786 1.499 -1.001) 1.966 7.863 ( 2.352 -2.644 -2.670) 4.433 7.900 ( 0.093 1.321 0.383) 1.379 7.928 ( 0.200 0.071 -0.055) 0.219 7.989 ( -2.296 -3.116 2.150) 4.428 8.075 ( -3.928 0.559 2.438) 4.657 8.156 ( 0.256 -1.638 -4.522) 4.816 8.227 ( 0.206 -2.510 2.429) 3.499 8.400 ( 0.495 0.820 2.154) 2.357 8.953 ( -0.927 -0.978 2.689) 3.008 9.081 ( -0.899 -0.721 -1.091) 1.586 9.167 ( 0.997 -0.219 -0.014) 1.021 9.179 ( 1.130 -1.604 -2.919) 3.517 11.885 ( -0.177 0.039 0.895) 0.913 11.931 ( 0.386 -0.005 -0.469) 0.608 11.951 ( -1.250 -0.466 0.070) 1.336 11.999 ( 0.985 0.432 0.892) 1.397 15.319 ( -0.165 2.261 -1.350) 2.638 15.357 ( -0.454 0.232 -1.125) 1.235 15.484 ( -2.059 -1.497 1.096) 2.771 15.498 ( -3.428 -2.238 2.056) 4.582 15.742 ( 2.519 0.698 0.058) 2.614 15.803 ( 1.318 1.550 -1.121) 2.323 16.070 ( 0.832 -2.164 1.693) 2.871 16.234 ( 1.196 -3.255 -5.637) 6.618 16.770 ( -5.116 1.448 2.961) 6.086 16.860 ( -1.346 2.140 1.762) 3.082 16.919 ( -3.437 -2.742 -0.816) 4.472 16.985 ( 3.237 -6.317 -1.347) 7.225 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.710 ( 5.607 -16.442 -0.085) 17.372 0.946 ( 5.951 -7.162 11.079) 14.473 1.239 ( 0.866 -1.733 0.633) 2.038 1.273 ( -4.753 2.873 2.702) 6.176 1.323 ( 2.903 -2.139 2.003) 4.125 1.410 ( -3.461 -3.364 0.624) 4.866 1.457 ( -0.646 1.724 1.284) 2.245 1.583 ( -1.002 -0.824 2.083) 2.455 1.663 ( 4.930 -1.796 5.919) 7.910 1.737 ( 0.363 -2.681 0.753) 2.808 1.868 ( -0.681 3.508 0.527) 3.612 1.928 ( -2.937 2.054 -0.247) 3.592 2.002 ( 1.313 1.120 -1.667) 2.400 2.038 ( 2.780 0.927 -3.379) 4.473 2.098 ( 2.244 -1.445 -0.824) 2.794 2.245 ( 0.707 -0.868 -1.993) 2.286 2.310 ( -2.281 -1.668 -0.835) 2.947 2.385 ( 1.244 0.917 0.851) 1.764 2.495 ( 6.903 -0.519 -1.231) 7.031 2.538 ( -0.945 -2.695 -3.121) 4.230 2.568 ( -0.537 -3.024 3.013) 4.302 2.755 ( 6.649 3.611 -1.561) 7.726 2.956 ( -4.456 2.055 1.841) 5.241 3.037 ( -3.372 0.124 3.256) 4.689 3.176 ( 0.548 1.484 1.274) 2.031 3.213 ( -2.464 2.137 -2.751) 4.267 3.401 ( -1.066 -0.921 -0.378) 1.459 3.471 ( -3.284 -0.162 -1.755) 3.727 3.640 ( -1.549 -3.781 3.179) 5.177 3.765 ( -1.111 -2.697 6.040) 6.707 3.834 ( -0.659 2.576 -1.370) 2.991 4.028 ( -0.592 1.452 -0.826) 1.772 4.156 ( 1.109 -3.911 -4.283) 5.905 4.252 ( -0.264 -1.591 1.731) 2.366 4.396 ( 4.981 -0.459 -2.879) 5.772 4.538 ( -0.062 -0.289 -4.727) 4.736 4.650 ( 2.068 3.750 -1.474) 4.529 4.688 ( -1.431 -4.014 -4.978) 6.553 4.839 ( -1.236 2.798 2.688) 4.072 5.002 ( -2.023 6.254 2.074) 6.892 5.159 ( -1.727 1.734 3.495) 4.267 5.486 ( 0.347 -3.114 -2.005) 3.720 5.638 ( -0.162 0.022 0.975) 0.989 5.717 ( 3.366 -3.541 -0.811) 4.952 5.915 ( 0.679 -1.300 -0.215) 1.482 6.037 ( -1.585 -3.392 0.632) 3.797 6.145 ( 1.587 4.127 -1.264) 4.599 6.293 ( -0.403 2.949 -2.838) 4.112 6.467 ( -2.008 -1.115 2.691) 3.538 6.595 ( -0.021 2.773 -1.117) 2.990 6.670 ( -1.354 2.430 3.356) 4.359 6.805 ( -0.555 0.840 -0.224) 1.032 7.371 ( 0.561 2.006 0.451) 2.131 7.601 ( 1.514 1.835 -4.810) 5.366 7.634 ( -3.129 -0.515 2.872) 4.278 7.732 ( 0.974 1.290 -1.917) 2.507 7.871 ( 0.716 -0.132 -2.773) 2.867 7.916 ( -0.095 -0.076 1.474) 1.479 7.936 ( 1.962 -0.408 -1.509) 2.508 8.031 ( -2.030 -2.868 2.744) 4.458 8.058 ( -2.207 -0.866 2.349) 3.337 8.165 ( 0.137 -1.486 -2.352) 2.786 8.281 ( 0.124 -2.384 0.680) 2.482 8.389 ( -0.095 2.136 1.781) 2.783 8.983 ( -0.544 -1.559 2.381) 2.897 9.086 ( -0.804 -1.642 -1.472) 2.347 9.138 ( 0.705 3.257 -0.333) 3.349 9.200 ( 0.210 -1.534 -1.879) 2.435 11.887 ( -0.115 0.144 0.638) 0.665 11.933 ( 0.310 -0.000 -0.039) 0.313 11.947 ( -1.397 -0.596 -0.346) 1.558 12.003 ( 0.861 0.634 0.750) 1.306 15.285 ( -0.054 0.970 -0.882) 1.312 15.344 ( -0.174 0.068 -1.068) 1.084 15.486 ( -1.743 0.305 2.075) 2.727 15.522 ( -2.808 -2.665 1.334) 4.095 15.721 ( 1.053 2.119 -0.935) 2.544 15.823 ( 2.620 -0.401 1.300) 2.952 16.110 ( 1.531 -0.808 0.149) 1.738 16.242 ( 0.869 -1.721 -6.779) 7.048 16.746 ( -3.645 -0.312 3.588) 5.124 16.829 ( -0.739 2.158 2.340) 3.268 16.931 ( -1.443 -2.009 -0.857) 2.618 17.091 ( 2.945 -4.618 -1.800) 5.765 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.958 ( 3.226 -9.282 -1.904) 10.009 1.127 ( -5.274 2.634 -0.137) 5.896 1.129 ( 3.086 3.093 6.744) 8.036 1.265 ( -1.976 0.587 2.574) 3.297 1.379 ( 6.013 -1.650 -2.354) 6.665 1.401 ( -2.302 0.756 0.187) 2.431 1.460 ( -0.670 -1.121 0.580) 1.429 1.606 ( 0.404 -2.625 -1.058) 2.859 1.658 ( 2.325 6.194 0.738) 6.657 1.775 ( -0.392 -0.603 -1.101) 1.315 1.829 ( -1.719 0.010 1.206) 2.100 1.896 ( 1.274 0.481 -2.588) 2.925 1.953 ( 0.623 4.165 -1.860) 4.604 2.033 ( 1.964 0.483 -2.257) 3.031 2.162 ( 5.721 -0.983 -0.063) 5.805 2.223 ( 0.908 1.742 -3.538) 4.046 2.331 ( -2.394 -3.819 -0.221) 4.512 2.379 ( -0.798 2.743 0.045) 2.857 2.483 ( 3.567 1.970 -2.310) 4.684 2.606 ( 2.930 -4.366 -1.598) 5.496 2.660 ( -2.081 -1.674 3.791) 4.638 2.770 ( 1.895 -1.964 4.068) 4.899 2.888 ( -2.896 2.712 -1.895) 4.397 2.995 ( -7.499 2.812 9.896) 12.731 3.173 ( -1.458 -2.017 0.890) 2.644 3.194 ( 3.488 -0.186 -3.867) 5.211 3.377 ( -0.016 0.898 -1.406) 1.668 3.485 ( -2.086 -3.120 0.608) 3.802 3.680 ( -1.277 -0.780 -0.100) 1.500 3.729 ( 0.401 2.624 -1.872) 3.248 3.844 ( -4.173 -1.109 7.343) 8.518 4.011 ( -1.832 -0.846 1.921) 2.786 4.196 ( 1.506 -2.505 -3.874) 4.853 4.303 ( 0.690 -2.038 2.086) 2.997 4.415 ( 4.390 1.081 -4.815) 6.605 4.504 ( 0.501 0.615 -3.271) 3.366 4.652 ( 0.417 -0.638 -0.005) 0.763 4.682 ( 0.623 0.057 0.022) 0.626 4.837 ( -1.361 -2.382 1.274) 3.025 4.920 ( -0.792 3.898 2.228) 4.560 5.127 ( -3.817 1.068 1.427) 4.213 5.520 ( 1.439 -1.267 0.254) 1.934 5.658 ( 1.546 -1.234 -1.112) 2.269 5.787 ( 2.473 -2.027 -2.746) 4.215 5.929 ( 0.724 0.472 -1.422) 1.664 6.042 ( 0.004 -1.333 -4.786) 4.968 6.132 ( 2.550 0.896 1.356) 3.024 6.231 ( -0.035 2.303 -1.370) 2.680 6.484 ( -2.877 -1.229 3.412) 4.629 6.547 ( -0.336 2.317 0.194) 2.349 6.635 ( -2.824 1.816 4.658) 5.742 6.789 ( -1.219 0.369 1.561) 2.015 7.352 ( 0.377 1.001 -0.012) 1.070 7.559 ( 2.498 0.767 -5.091) 5.722 7.649 ( -1.104 -0.458 1.473) 1.897 7.726 ( 1.336 -0.590 -1.644) 2.199 7.862 ( -0.597 0.081 -1.134) 1.284 7.910 ( -0.217 0.762 0.311) 0.851 7.942 ( 2.143 0.284 -2.555) 3.347 8.069 ( -1.070 -1.608 2.282) 2.989 8.087 ( -1.828 -1.720 3.297) 4.143 8.180 ( 0.922 -1.691 -1.456) 2.414 8.302 ( -1.083 -0.432 0.555) 1.292 8.360 ( 0.094 2.357 0.749) 2.475 9.010 ( -0.508 -0.334 1.659) 1.767 9.079 ( -0.875 0.360 -1.586) 1.847 9.109 ( 0.140 0.082 -0.130) 0.208 9.215 ( 1.621 -0.645 -0.903) 1.964 11.886 ( -0.148 0.208 0.442) 0.510 11.935 ( -0.528 -0.116 0.357) 0.648 11.943 ( -0.276 -0.353 -0.916) 1.019 12.002 ( 0.554 0.746 0.582) 1.096 15.279 ( 0.171 -0.361 -0.173) 0.435 15.341 ( 0.551 -0.373 -1.344) 1.500 15.477 ( -1.414 0.750 3.257) 3.629 15.543 ( -2.910 -2.138 1.606) 3.952 15.702 ( 0.569 0.560 -1.036) 1.308 15.846 ( 0.844 0.706 1.301) 1.704 16.123 ( 1.537 0.590 -0.949) 1.900 16.238 ( 2.827 -0.962 -6.938) 7.553 16.754 ( -3.177 -1.452 4.412) 5.627 16.809 ( -1.391 1.129 2.853) 3.369 16.945 ( -0.126 -1.051 -0.642) 1.238 17.155 ( 2.298 -1.932 -1.612) 3.408 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.856 ( -10.549 12.833 -0.299) 16.615 0.988 ( -2.675 7.139 -3.185) 8.263 1.193 ( 1.923 0.539 1.214) 2.337 1.286 ( 0.157 -3.052 3.349) 4.534 1.369 ( -1.631 0.910 -0.284) 1.889 1.442 ( 3.059 0.969 1.110) 3.395 1.459 ( -0.229 0.342 0.744) 0.850 1.575 ( 1.273 5.416 1.609) 5.792 1.652 ( 0.054 -1.246 -1.877) 2.253 1.752 ( 1.755 -0.267 -3.116) 3.586 1.830 ( -3.127 4.922 2.813) 6.474 1.863 ( 3.559 2.109 -4.337) 5.994 1.923 ( 3.924 -2.801 -1.549) 5.064 2.032 ( 2.169 -0.304 -3.326) 3.983 2.184 ( -0.769 1.965 1.704) 2.712 2.207 ( 4.312 0.484 -3.728) 5.721 2.300 ( -3.445 2.208 -1.404) 4.326 2.367 ( -0.109 -2.334 -1.421) 2.735 2.465 ( 3.284 5.066 0.722) 6.080 2.605 ( -2.392 1.675 -1.291) 3.192 2.697 ( -0.930 -3.850 1.234) 4.149 2.741 ( -4.037 4.476 0.218) 6.032 2.923 ( -1.418 -4.820 7.269) 8.837 2.982 ( -4.521 -1.614 5.017) 6.944 3.170 ( 2.610 2.210 -4.176) 5.398 3.252 ( 2.580 -4.813 2.256) 5.908 3.377 ( 0.552 -1.513 -4.095) 4.401 3.514 ( 0.292 -1.454 1.557) 2.150 3.630 ( 0.474 3.115 -0.892) 3.274 3.760 ( 1.071 -0.242 3.375) 3.549 3.840 ( -5.855 -1.272 3.995) 7.201 4.032 ( -2.588 -2.228 1.344) 3.670 4.202 ( 0.371 1.078 -1.603) 1.967 4.318 ( 0.012 1.035 -0.527) 1.162 4.409 ( 3.444 0.802 -3.505) 4.979 4.494 ( -0.288 -1.372 0.253) 1.424 4.663 ( 0.092 -2.724 -3.413) 4.367 4.728 ( 1.702 -2.068 1.806) 3.231 4.881 ( -0.576 -3.215 -0.430) 3.294 4.899 ( 1.088 0.714 3.790) 4.008 5.086 ( -5.236 -0.191 2.084) 5.639 5.554 ( 2.973 0.145 0.535) 3.024 5.664 ( 0.466 1.045 -1.596) 1.964 5.767 ( -2.223 2.000 -2.562) 3.938 5.895 ( 2.911 3.331 -3.827) 5.850 6.068 ( -0.118 -3.948 -2.971) 4.943 6.117 ( 2.018 3.878 1.472) 4.612 6.245 ( 2.232 -3.484 -1.295) 4.336 6.489 ( -1.802 1.040 2.888) 3.560 6.536 ( 0.475 -1.241 0.619) 1.466 6.633 ( -2.714 -1.323 4.011) 5.021 6.799 ( -1.238 -1.562 1.885) 2.743 7.349 ( 0.241 -0.472 -0.467) 0.706 7.558 ( 3.010 0.037 -2.546) 3.943 7.655 ( -0.111 -1.286 -0.878) 1.561 7.739 ( 1.521 -0.211 -1.689) 2.282 7.848 ( -1.977 -0.265 0.524) 2.062 7.902 ( 1.286 0.728 -0.334) 1.515 7.937 ( 1.792 0.800 -2.357) 3.067 8.087 ( -1.589 0.239 2.636) 3.088 8.095 ( -2.308 -0.177 3.031) 3.814 8.218 ( 1.618 -2.092 -1.910) 3.262 8.295 ( -1.146 0.129 1.904) 2.226 8.324 ( 0.283 2.587 -0.716) 2.699 8.990 ( -0.911 2.195 1.212) 2.668 9.083 ( -0.028 -1.324 -0.820) 1.558 9.112 ( -0.326 -0.867 -0.519) 1.062 9.238 ( 2.993 -0.106 -0.738) 3.085 11.883 ( -0.216 0.229 0.422) 0.526 11.932 ( -1.076 -0.393 -0.218) 1.166 11.945 ( 0.991 0.002 -0.438) 1.084 11.995 ( 0.108 0.845 0.403) 0.943 15.291 ( 0.320 -0.953 -0.314) 1.054 15.350 ( 0.822 -0.796 -0.739) 1.362 15.482 ( -0.868 -0.146 3.739) 3.842 15.559 ( -3.079 -1.749 2.012) 4.073 15.700 ( 0.100 -0.856 -1.027) 1.341 15.828 ( -1.374 1.856 0.864) 2.465 16.108 ( 0.923 1.644 -1.498) 2.408 16.245 ( 5.678 -0.151 -6.749) 8.821 16.784 ( -0.563 -1.140 3.452) 3.679 16.804 ( -4.279 -1.403 4.166) 6.135 16.952 ( 0.531 0.115 -0.258) 0.602 17.174 ( 1.510 0.357 -1.405) 2.094 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.554 ( -12.774 12.490 3.424) 18.191 0.743 ( -4.925 16.055 -0.681) 16.807 1.193 ( 0.293 3.325 0.667) 3.404 1.279 ( -6.660 7.466 5.872) 11.601 1.345 ( -1.012 -0.271 3.271) 3.435 1.424 ( -0.477 2.172 3.022) 3.752 1.438 ( -0.093 2.765 1.575) 3.183 1.547 ( -0.029 2.073 3.113) 3.740 1.602 ( -2.679 6.286 -1.104) 6.921 1.650 ( 0.018 5.583 1.351) 5.744 1.845 ( 1.658 -6.376 -0.105) 6.589 1.909 ( 7.649 -1.987 -5.964) 9.901 2.004 ( 2.603 -2.744 -0.685) 3.843 2.040 ( 2.524 -0.811 -1.912) 3.268 2.150 ( -3.405 -0.429 -0.682) 3.499 2.210 ( 3.557 -0.107 -1.316) 3.794 2.267 ( -0.591 0.091 -1.178) 1.321 2.380 ( -0.441 4.179 -1.280) 4.393 2.385 ( 2.893 2.580 -0.734) 3.945 2.576 ( -1.849 -0.010 -1.675) 2.495 2.655 ( -0.312 2.789 0.074) 2.807 2.732 ( 0.094 -1.206 -1.917) 2.267 3.008 ( -5.112 -3.800 3.906) 7.472 3.035 ( -3.924 -7.214 7.544) 11.151 3.141 ( 1.953 1.086 -2.630) 3.451 3.344 ( 1.592 0.274 0.806) 1.805 3.366 ( 2.636 -1.721 -6.399) 7.132 3.558 ( 2.365 -1.017 -0.078) 2.576 3.593 ( -1.247 2.139 1.107) 2.712 3.707 ( -6.879 5.427 9.009) 12.567 3.883 ( 1.733 -2.809 -1.569) 3.654 4.036 ( -1.413 -0.751 -1.471) 2.173 4.169 ( 1.864 3.043 -0.256) 3.578 4.260 ( -0.624 4.585 -0.500) 4.654 4.428 ( 0.380 -4.190 -3.511) 5.479 4.562 ( -0.633 -5.164 2.776) 5.897 4.681 ( 1.903 -2.559 -6.875) 7.579 4.777 ( 1.251 -1.213 1.178) 2.103 4.882 ( -0.824 0.679 -3.165) 3.340 4.963 ( 1.468 -1.995 6.476) 6.934 5.094 ( -4.349 -4.622 3.295) 7.151 5.537 ( 1.974 5.050 -1.852) 5.730 5.629 ( -0.608 2.037 0.269) 2.143 5.719 ( -1.214 -0.801 -0.427) 1.516 5.843 ( 1.098 3.195 -2.373) 4.129 6.063 ( -1.872 2.778 3.016) 4.507 6.136 ( 3.164 -2.989 -2.432) 4.986 6.325 ( 2.246 -4.440 -1.963) 5.349 6.462 ( -0.711 1.696 1.298) 2.251 6.587 ( 1.780 -3.085 -0.609) 3.613 6.663 ( -2.101 -2.143 2.555) 3.941 6.825 ( -0.041 -1.280 0.184) 1.293 7.363 ( 0.052 -1.467 -0.693) 1.623 7.573 ( 1.323 0.025 1.543) 2.033 7.683 ( 1.492 -2.459 -2.241) 3.647 7.741 ( 1.383 -0.218 -1.443) 2.011 7.852 ( -0.411 -1.426 0.026) 1.484 7.904 ( 1.024 0.280 0.301) 1.104 7.921 ( 0.944 1.147 -1.865) 2.385 8.060 ( -2.143 2.428 3.006) 4.419 8.107 ( -3.525 -1.748 3.462) 5.241 8.227 ( 1.018 0.301 -3.439) 3.599 8.269 ( 0.052 3.458 -1.401) 3.731 8.321 ( 0.468 -1.118 3.279) 3.496 8.959 ( -1.056 1.738 2.005) 2.855 9.093 ( -0.084 -1.058 -1.265) 1.651 9.127 ( 0.507 -0.896 -0.469) 1.132 9.251 ( 3.655 1.433 -2.201) 4.500 11.881 ( -0.148 0.162 0.470) 0.518 11.928 ( -0.467 -0.347 -0.472) 0.749 11.953 ( 1.080 -0.004 0.086) 1.083 11.983 ( -0.243 0.832 0.249) 0.902 15.310 ( 0.225 -1.611 -0.869) 1.844 15.369 ( 0.609 -0.887 -0.278) 1.111 15.503 ( -1.295 -0.622 3.493) 3.778 15.560 ( -2.867 -0.269 1.909) 3.455 15.732 ( -0.474 -4.102 -0.671) 4.183 15.783 ( -2.382 2.080 0.684) 3.236 16.074 ( 0.726 2.674 -0.715) 2.862 16.252 ( 7.988 2.081 -7.268) 10.999 16.798 ( -0.510 -0.277 1.285) 1.410 16.843 ( -4.147 -3.873 5.036) 7.587 16.947 ( 0.393 0.932 0.047) 1.013 17.159 ( 0.245 1.284 -1.689) 2.135 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.361 ( -6.630 7.151 13.269) 16.466 0.481 ( -7.148 10.172 14.324) 18.966 0.956 ( -12.349 21.885 21.809) 33.273 1.219 ( -0.627 0.446 0.303) 0.827 1.344 ( -2.813 0.948 3.888) 4.891 1.413 ( -1.104 1.470 5.311) 5.620 1.413 ( -0.562 0.354 -0.368) 0.759 1.461 ( -0.637 4.104 0.198) 4.157 1.583 ( -1.076 -2.390 2.443) 3.583 1.634 ( 1.676 0.876 0.693) 2.014 1.935 ( 2.333 0.749 -3.741) 4.472 1.955 ( 1.088 -4.939 -0.076) 5.058 2.024 ( 3.012 0.282 -2.190) 3.735 2.078 ( -1.454 -1.881 0.596) 2.452 2.161 ( -1.639 -3.484 -1.893) 4.291 2.240 ( -0.543 1.866 -1.141) 2.253 2.266 ( 5.125 -1.529 0.083) 5.349 2.294 ( 2.780 4.143 -0.846) 5.061 2.388 ( 5.233 1.321 -3.222) 6.286 2.543 ( -2.017 0.336 -2.576) 3.289 2.633 ( -0.253 0.495 -0.965) 1.113 2.724 ( 3.426 0.985 -6.243) 7.189 3.068 ( -4.560 -6.992 3.114) 8.909 3.105 ( -1.224 -0.609 -1.002) 1.695 3.199 ( -2.807 -8.397 6.761) 11.140 3.309 ( 1.041 2.298 -3.751) 4.520 3.377 ( 1.194 1.061 -1.198) 1.997 3.489 ( -4.881 8.053 2.597) 9.768 3.582 ( 1.890 1.811 4.218) 4.964 3.657 ( -4.160 -0.605 1.982) 4.648 3.872 ( 1.021 3.191 -3.750) 5.028 4.049 ( 2.047 -1.488 -1.661) 3.027 4.124 ( 2.356 5.963 0.724) 6.452 4.201 ( -1.351 1.237 -0.355) 1.866 4.481 ( -1.198 -5.051 -5.735) 7.735 4.615 ( -1.807 -1.849 -2.165) 3.372 4.734 ( 2.990 -5.307 -4.804) 7.758 4.804 ( -0.354 -0.394 -1.044) 1.171 4.824 ( -0.849 1.532 -0.928) 1.982 5.052 ( 1.148 -3.339 8.069) 8.808 5.178 ( -2.354 -6.545 2.230) 7.304 5.434 ( -0.035 7.338 -0.421) 7.350 5.624 ( 0.613 -1.538 1.551) 2.269 5.747 ( -1.644 -2.313 -1.101) 3.044 5.795 ( 2.258 2.511 -0.024) 3.377 6.022 ( -1.325 2.177 1.557) 2.986 6.191 ( 1.050 -2.195 0.341) 2.457 6.376 ( 0.256 -1.340 -0.375) 1.415 6.458 ( 0.519 -1.520 -1.170) 1.987 6.635 ( 1.862 -1.587 -2.190) 3.284 6.674 ( -0.350 0.584 -0.231) 0.719 6.829 ( 0.893 1.000 -1.514) 2.022 7.383 ( 0.106 -1.270 -0.330) 1.317 7.611 ( -1.762 -3.463 4.700) 6.099 7.721 ( 2.417 -1.379 -1.478) 3.151 7.763 ( 1.313 -1.603 -0.669) 2.177 7.865 ( 1.074 0.322 -3.086) 3.283 7.911 ( -0.061 -1.041 -0.807) 1.319 7.916 ( 0.195 -0.729 0.817) 1.112 8.015 ( -2.416 2.836 1.855) 4.162 8.123 ( -3.785 -1.269 1.939) 4.438 8.203 ( -0.905 0.148 0.817) 1.228 8.215 ( -0.410 1.217 -3.703) 3.919 8.359 ( 0.872 -0.405 3.144) 3.288 8.941 ( -1.159 1.004 2.440) 2.882 9.102 ( 0.145 -0.734 -1.808) 1.957 9.140 ( 1.210 -0.328 0.063) 1.255 9.204 ( 2.871 6.502 -4.837) 8.597 11.880 ( -0.092 0.270 0.537) 0.608 11.930 ( 0.269 -0.258 -0.487) 0.614 11.960 ( 0.021 0.325 0.508) 0.604 11.975 ( 0.518 0.069 0.424) 0.673 15.336 ( -0.082 -2.346 -1.225) 2.648 15.377 ( 0.261 0.037 -0.918) 0.955 15.499 ( -2.009 1.372 2.445) 3.449 15.559 ( -6.067 -2.826 1.239) 6.807 15.734 ( -1.841 1.101 -0.132) 2.150 15.805 ( 0.106 -4.671 -1.081) 4.795 16.035 ( 0.771 3.004 1.701) 3.537 16.218 ( 9.597 6.850 -7.075) 13.751 16.812 ( -1.150 -1.888 0.984) 2.420 16.886 ( -1.640 -1.414 2.220) 3.101 16.933 ( -1.178 0.266 0.114) 1.213 17.103 ( -6.840 1.665 -5.641) 9.021 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.485 ( 2.483 -0.000 14.838) 15.044 0.553 ( -5.084 0.000 18.455) 19.142 1.201 ( 0.998 -0.000 -2.043) 2.274 1.236 ( 5.103 -0.000 11.725) 12.787 1.282 ( -5.871 0.000 4.048) 7.131 1.379 ( 1.037 -0.000 -1.366) 1.716 1.454 ( 3.071 -0.000 1.711) 3.516 1.583 ( 2.046 -0.000 11.404) 11.586 1.680 ( 1.924 -0.000 -0.201) 1.935 1.686 ( 5.318 -0.000 8.885) 10.355 1.893 ( 0.286 -0.000 -1.515) 1.541 2.023 ( 2.168 -0.000 -0.915) 2.353 2.031 ( -1.201 0.000 -4.528) 4.685 2.035 ( -3.117 0.000 2.264) 3.852 2.081 ( -2.485 0.000 1.942) 3.154 2.181 ( 0.246 -0.000 -1.665) 1.683 2.281 ( -1.473 0.000 -0.083) 1.475 2.412 ( -1.723 0.000 -4.121) 4.467 2.458 ( 4.458 -0.000 1.698) 4.770 2.487 ( -0.533 0.000 2.137) 2.202 2.588 ( 6.361 -0.000 -5.048) 8.120 2.731 ( 6.440 -0.000 -6.947) 9.473 3.001 ( -3.497 0.000 -5.471) 6.493 3.184 ( -1.157 0.000 4.668) 4.810 3.234 ( 0.579 -0.000 -4.364) 4.402 3.271 ( -7.239 0.000 6.470) 9.709 3.289 ( -1.794 0.000 -1.858) 2.583 3.450 ( 1.538 -0.000 3.212) 3.561 3.588 ( -0.954 0.000 -1.122) 1.473 3.711 ( 0.355 -0.000 8.720) 8.727 3.833 ( 0.627 -0.000 -2.435) 2.515 4.048 ( -0.915 0.000 -2.704) 2.855 4.092 ( -0.152 0.000 -1.151) 1.161 4.194 ( -0.329 0.000 3.814) 3.828 4.404 ( 4.990 -0.000 -7.500) 9.008 4.540 ( 0.521 -0.000 -4.818) 4.846 4.555 ( -5.634 0.000 -3.909) 6.857 4.758 ( 2.679 -0.000 -5.475) 6.095 4.916 ( 1.331 -0.000 2.394) 2.739 5.126 ( -4.145 0.000 1.987) 4.596 5.280 ( 0.563 -0.000 4.295) 4.331 5.340 ( -1.371 0.000 0.159) 1.380 5.652 ( -1.184 0.000 1.167) 1.662 5.661 ( 0.187 -0.000 0.567) 0.597 5.927 ( -4.557 0.000 -1.589) 4.826 5.947 ( 4.522 -0.000 2.380) 5.110 6.215 ( -2.957 0.000 2.035) 3.590 6.330 ( -2.785 0.000 -1.687) 3.256 6.504 ( 1.134 -0.000 1.003) 1.514 6.641 ( -0.277 0.000 -1.286) 1.315 6.657 ( 4.419 -0.000 -4.505) 6.311 6.818 ( 0.195 -0.000 0.492) 0.529 7.425 ( 1.060 -0.000 1.745) 2.042 7.576 ( -5.710 0.000 4.488) 7.262 7.702 ( -3.210 0.000 -4.138) 5.237 7.797 ( 2.225 -0.000 0.611) 2.308 7.830 ( 2.066 -0.000 -2.377) 3.150 7.913 ( -1.868 0.000 -0.846) 2.050 7.921 ( 0.533 -0.000 -0.758) 0.927 7.967 ( -0.427 0.000 3.817) 3.841 8.065 ( -2.143 0.000 2.105) 3.004 8.112 ( 0.405 -0.000 -5.284) 5.300 8.226 ( -0.125 0.000 3.376) 3.379 8.423 ( 0.665 -0.000 1.505) 1.645 8.947 ( -1.586 0.000 2.321) 2.811 9.056 ( -1.949 0.000 -0.154) 1.955 9.148 ( 2.032 -0.000 -0.880) 2.214 9.201 ( 1.685 -0.000 -0.520) 1.763 11.890 ( -0.254 0.000 1.100) 1.129 11.930 ( 0.306 -0.000 -0.456) 0.549 11.936 ( -1.495 0.000 0.021) 1.495 12.015 ( 0.847 -0.000 0.776) 1.149 15.339 ( -0.704 0.000 -1.032) 1.249 15.353 ( 1.214 -0.000 -1.425) 1.872 15.440 ( -2.994 0.000 0.779) 3.094 15.468 ( -2.249 0.000 1.933) 2.966 15.790 ( 5.677 -0.000 0.399) 5.691 15.811 ( 1.002 -0.000 -2.729) 2.907 16.061 ( -0.071 0.000 2.287) 2.288 16.187 ( -1.440 0.000 -0.542) 1.539 16.761 ( -3.725 0.000 1.964) 4.211 16.840 ( -2.909 0.000 0.310) 2.925 16.918 ( 2.464 -0.000 1.587) 2.931 16.961 ( 3.728 -0.000 0.190) 3.733 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.574 ( 5.779 -7.149 6.813) 11.442 0.850 ( -0.163 -16.449 12.976) 20.952 1.211 ( 0.861 -1.230 -0.918) 1.760 1.267 ( -4.974 -1.327 3.703) 6.342 1.319 ( 0.768 -2.009 3.678) 4.260 1.384 ( 2.767 0.441 -1.588) 3.220 1.495 ( 1.880 0.518 2.601) 3.251 1.602 ( -0.642 2.627 2.445) 3.646 1.707 ( 0.991 -1.777 -0.023) 2.035 1.785 ( 7.180 3.394 9.103) 12.080 1.891 ( -0.326 0.387 -0.734) 0.891 1.950 ( -2.539 3.330 -1.940) 4.614 2.014 ( -0.186 0.373 -2.065) 2.106 2.043 ( -0.737 0.898 1.958) 2.277 2.106 ( 4.294 -2.116 3.051) 5.677 2.204 ( -0.073 -2.742 -0.375) 2.768 2.263 ( -3.337 -0.634 -1.537) 3.729 2.394 ( 2.110 -1.152 -3.116) 3.935 2.490 ( -0.097 -0.695 0.964) 1.193 2.523 ( 1.732 -2.017 1.883) 3.258 2.590 ( 6.769 2.816 -4.158) 8.429 2.798 ( 7.018 -3.810 -4.455) 9.144 2.935 ( -4.938 0.014 -4.884) 6.945 3.095 ( -0.199 7.982 5.196) 9.526 3.203 ( -2.778 1.427 -1.772) 3.591 3.223 ( -3.871 2.057 4.066) 5.979 3.320 ( -3.431 -4.085 -0.694) 5.380 3.457 ( -1.331 1.413 -3.413) 3.926 3.603 ( -0.954 -2.103 4.154) 4.752 3.769 ( -0.033 -0.696 6.999) 7.033 3.832 ( -1.374 -1.011 0.224) 1.721 4.013 ( -1.413 0.521 -4.440) 4.689 4.103 ( 0.746 -2.553 -1.451) 3.029 4.230 ( -0.203 -1.470 2.514) 2.920 4.415 ( 5.779 -1.022 -4.954) 7.680 4.520 ( 1.958 0.689 -3.729) 4.267 4.549 ( -2.273 -5.787 -3.735) 7.253 4.723 ( 2.875 3.509 -3.823) 5.933 4.906 ( -0.683 3.608 2.764) 4.596 5.072 ( -2.692 3.458 0.359) 4.397 5.217 ( -1.177 5.533 2.639) 6.242 5.424 ( 0.943 -5.458 0.900) 5.612 5.644 ( -0.750 0.387 0.755) 1.132 5.695 ( 2.807 -2.216 0.307) 3.590 5.881 ( -3.617 -0.799 -1.432) 3.971 6.008 ( 1.901 -1.414 2.372) 3.352 6.186 ( -2.543 1.295 0.816) 2.968 6.293 ( -2.903 0.425 -1.518) 3.303 6.486 ( 0.983 2.862 0.963) 3.176 6.617 ( -0.376 1.445 -1.934) 2.443 6.694 ( 2.165 -1.208 -1.125) 2.722 6.812 ( -0.048 0.947 -0.038) 0.949 7.420 ( 0.569 2.599 1.578) 3.093 7.582 ( -2.048 -2.222 1.101) 3.216 7.629 ( -2.626 2.173 -1.891) 3.898 7.770 ( 1.646 3.211 -0.845) 3.706 7.859 ( 1.262 -0.781 -2.651) 3.038 7.897 ( -1.825 -0.711 -0.467) 2.013 7.939 ( 1.720 -1.664 -0.105) 2.395 7.997 ( -1.666 -1.290 3.993) 4.515 8.048 ( -1.277 0.332 1.268) 1.830 8.120 ( 0.420 -2.567 -2.608) 3.683 8.256 ( 0.089 -1.606 1.715) 2.352 8.424 ( 0.044 1.249 1.092) 1.659 8.961 ( -1.429 -1.894 1.743) 2.944 9.044 ( -1.699 -0.618 -0.506) 1.878 9.174 ( 1.446 -1.515 -0.928) 2.291 9.191 ( 1.040 2.306 -0.340) 2.552 11.892 ( -0.184 0.150 0.757) 0.793 11.925 ( -1.680 -0.297 0.108) 1.710 11.934 ( 0.401 -0.263 -0.378) 0.611 12.022 ( 0.653 0.414 0.534) 0.940 15.301 ( -0.457 2.047 -0.703) 2.212 15.350 ( 0.641 0.983 -0.638) 1.336 15.453 ( -2.381 -3.303 0.668) 4.126 15.476 ( -1.784 -1.303 1.796) 2.847 15.771 ( 1.668 3.292 -1.495) 3.982 15.853 ( 4.530 -0.513 0.344) 4.572 16.097 ( 0.689 -2.625 0.503) 2.760 16.180 ( -1.509 -1.209 -2.187) 2.919 16.735 ( -2.818 0.647 2.001) 3.516 16.850 ( -1.998 -2.762 0.350) 3.427 16.905 ( 1.600 3.049 1.305) 3.683 17.048 ( 4.021 -4.310 -0.056) 5.895 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.812 ( 6.144 -12.003 -0.778) 13.507 1.107 ( 2.740 -5.780 4.690) 7.932 1.225 ( -4.682 0.352 5.758) 7.430 1.280 ( 1.533 0.871 1.134) 2.097 1.344 ( -4.949 -2.680 0.780) 5.682 1.403 ( 5.034 -0.237 -1.399) 5.230 1.476 ( 1.500 2.953 1.026) 3.468 1.587 ( 0.275 -0.279 0.290) 0.487 1.724 ( -1.834 -1.331 -0.985) 2.471 1.788 ( 2.558 4.458 0.435) 5.158 1.845 ( -1.540 3.274 0.063) 3.618 1.906 ( 0.828 0.524 -0.258) 1.013 1.986 ( 0.189 1.546 -3.003) 3.383 2.042 ( 1.029 0.061 1.014) 1.446 2.194 ( 4.662 -0.968 -2.285) 5.282 2.229 ( -3.731 -0.790 -2.272) 4.439 2.263 ( 3.966 -1.790 3.883) 5.832 2.426 ( 2.824 1.710 -1.813) 3.767 2.482 ( 0.088 -1.671 -2.235) 2.791 2.585 ( 2.276 -2.297 1.484) 3.558 2.617 ( 2.042 -2.811 0.097) 3.476 2.827 ( -1.909 5.246 -2.321) 6.046 2.886 ( 3.149 -1.340 -1.419) 3.705 3.052 ( -6.131 3.556 10.104) 12.342 3.127 ( -1.333 -0.217 -1.335) 1.899 3.195 ( -0.459 0.503 -0.823) 1.068 3.365 ( -2.281 -1.839 0.056) 2.930 3.399 ( -2.241 -2.548 -2.337) 4.120 3.640 ( -2.114 -1.633 2.921) 3.958 3.769 ( 0.015 2.189 -1.978) 2.950 3.858 ( -1.587 -0.237 7.763) 7.927 3.973 ( -2.886 -0.814 -2.296) 3.777 4.154 ( 2.569 -2.887 -2.227) 4.460 4.274 ( -0.606 -2.789 2.764) 3.973 4.458 ( 6.114 0.080 -4.257) 7.450 4.500 ( 1.527 1.250 -2.843) 3.461 4.628 ( 0.481 -5.962 -3.171) 6.770 4.677 ( 1.731 2.161 -0.281) 2.783 4.840 ( -2.718 4.071 3.008) 5.746 4.995 ( -0.775 4.264 0.641) 4.381 5.140 ( -2.369 3.652 1.001) 4.466 5.508 ( 1.833 -2.834 1.855) 3.851 5.645 ( 0.284 -0.946 -0.659) 1.188 5.760 ( 3.798 -2.417 -2.944) 5.379 5.883 ( -2.069 -3.404 -1.190) 4.157 6.027 ( -0.772 0.876 0.519) 1.278 6.165 ( 1.277 0.244 -0.414) 1.364 6.252 ( -1.388 1.385 -1.052) 2.225 6.467 ( -1.026 0.316 1.965) 2.239 6.572 ( -0.852 1.978 -1.482) 2.614 6.685 ( -1.790 3.207 3.787) 5.275 6.798 ( -0.080 0.690 -0.010) 0.695 7.385 ( 0.215 2.658 0.523) 2.717 7.551 ( 0.857 0.783 -5.783) 5.898 7.643 ( -1.105 -1.869 3.776) 4.356 7.734 ( 1.553 1.774 -1.154) 2.625 7.857 ( -0.022 0.366 -1.012) 1.077 7.893 ( -0.751 -1.360 -1.897) 2.452 7.954 ( 1.719 0.830 -2.403) 3.069 8.033 ( -2.626 -3.253 4.061) 5.829 8.069 ( -0.521 -1.251 3.287) 3.555 8.151 ( 1.073 -2.036 -1.670) 2.843 8.284 ( -0.481 -1.228 0.426) 1.386 8.399 ( -0.493 2.180 0.776) 2.366 8.999 ( -0.427 -2.498 1.528) 2.959 9.036 ( -1.834 -0.949 -1.303) 2.442 9.150 ( 0.388 3.296 0.083) 3.320 9.206 ( 1.589 -1.588 -0.918) 2.426 11.891 ( -0.147 0.235 0.351) 0.447 11.918 ( -1.472 -0.440 0.182) 1.547 11.940 ( 0.555 -0.315 -0.339) 0.723 12.020 ( 0.305 0.667 0.298) 0.791 15.275 ( -0.327 0.453 -0.234) 0.606 15.339 ( 0.434 0.386 -0.410) 0.711 15.484 ( -2.330 -1.968 1.146) 3.258 15.494 ( -0.885 -1.203 2.358) 2.791 15.727 ( 1.017 2.608 -0.932) 2.950 15.882 ( 2.191 1.189 0.975) 2.677 16.137 ( 1.489 -0.206 -0.348) 1.543 16.180 ( 0.443 -3.115 -5.338) 6.196 16.724 ( -3.448 -0.806 3.231) 4.794 16.859 ( 0.625 2.675 2.493) 3.709 16.902 ( -0.931 -2.544 -0.501) 2.754 17.135 ( 3.266 -2.878 -0.777) 4.422 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.980 ( -0.481 -1.785 -2.519) 3.124 1.034 ( -0.399 10.574 2.196) 10.807 1.241 ( 0.557 2.601 1.565) 3.087 1.261 ( -0.784 -1.692 3.208) 3.711 1.359 ( -1.804 -0.914 -0.505) 2.085 1.446 ( 1.044 -1.624 -0.558) 2.010 1.488 ( 4.254 0.015 -0.151) 4.257 1.597 ( -0.473 -1.101 -1.107) 1.632 1.707 ( 1.940 5.434 1.074) 5.869 1.755 ( -0.258 -1.837 -1.778) 2.570 1.803 ( -0.983 -0.342 0.201) 1.060 1.917 ( 3.593 -0.706 -2.653) 4.522 1.943 ( 2.698 2.539 -4.703) 5.987 2.046 ( 0.738 1.830 1.484) 2.469 2.170 ( -2.819 0.749 -4.529) 5.387 2.228 ( 0.539 -1.123 -1.174) 1.712 2.318 ( -0.358 2.126 1.425) 2.585 2.367 ( 3.896 2.331 -1.549) 4.797 2.534 ( 1.940 -1.413 0.924) 2.572 2.640 ( -4.260 0.836 2.841) 5.189 2.648 ( 4.892 2.467 -3.918) 6.736 2.710 ( -6.479 -1.435 1.891) 6.900 2.917 ( -3.161 1.348 6.777) 7.599 2.994 ( -0.337 0.681 4.190) 4.258 3.169 ( 0.334 -1.023 -2.418) 2.647 3.212 ( 2.341 -4.320 -0.074) 4.914 3.323 ( -1.962 -0.243 -4.109) 4.560 3.476 ( -1.148 -4.739 2.701) 5.574 3.665 ( 0.550 -0.983 -1.241) 1.676 3.733 ( 1.167 -0.184 -0.267) 1.211 3.867 ( -2.677 2.755 7.660) 8.569 3.965 ( -4.275 -2.410 0.413) 4.925 4.202 ( 2.246 -1.573 -1.241) 3.009 4.310 ( -1.627 -0.553 0.782) 1.888 4.458 ( 5.334 2.057 -2.250) 6.143 4.492 ( 1.289 0.272 -2.353) 2.697 4.628 ( -0.664 0.546 -2.031) 2.206 4.726 ( 2.115 -1.558 1.359) 2.958 4.803 ( -3.618 -2.641 0.593) 4.518 4.948 ( 0.270 2.184 1.948) 2.939 5.080 ( -2.463 2.105 2.008) 3.812 5.569 ( 1.605 -1.731 2.275) 3.278 5.661 ( 1.327 -0.735 -3.031) 3.389 5.771 ( 1.425 1.639 -4.557) 5.048 5.917 ( -0.358 -2.089 -1.109) 2.392 6.009 ( 1.556 -0.428 -3.095) 3.490 6.172 ( 1.208 0.913 -0.490) 1.591 6.226 ( 0.705 0.106 -0.704) 1.002 6.480 ( -1.603 -1.580 2.640) 3.469 6.536 ( -1.482 0.833 0.701) 1.839 6.639 ( -3.014 2.195 4.723) 6.017 6.788 ( -1.022 0.331 1.694) 2.006 7.355 ( 0.106 1.293 -0.268) 1.325 7.542 ( 2.465 -1.589 -5.194) 5.965 7.659 ( 0.450 0.914 1.308) 1.658 7.736 ( 0.917 -0.307 -0.411) 1.051 7.839 ( -1.978 0.367 1.542) 2.535 7.906 ( 1.248 -1.103 -2.046) 2.638 7.941 ( 1.747 0.344 -3.766) 4.165 8.078 ( -1.453 -1.523 2.942) 3.618 8.093 ( -1.939 -0.507 3.287) 3.850 8.185 ( 1.326 -2.080 -1.386) 2.829 8.291 ( -0.832 -0.406 0.715) 1.170 8.363 ( -0.327 2.261 0.158) 2.290 9.016 ( -0.772 0.932 0.841) 1.474 9.053 ( 0.103 -3.001 -0.621) 3.067 9.106 ( -0.505 1.953 0.187) 2.026 9.239 ( 1.748 -1.442 -1.269) 2.597 11.887 ( -0.249 0.233 0.230) 0.411 11.916 ( -0.836 -0.440 0.154) 0.957 11.949 ( 0.820 -0.321 -0.243) 0.913 12.010 ( -0.207 0.823 0.134) 0.859 15.274 ( -0.206 -0.697 -0.395) 0.827 15.342 ( 0.649 -0.509 -0.518) 0.974 15.496 ( -1.332 -0.581 2.006) 2.477 15.518 ( -1.671 -1.166 3.114) 3.721 15.701 ( 0.655 1.058 -0.829) 1.496 15.864 ( -0.314 2.645 0.891) 2.808 16.127 ( 0.547 1.033 -1.706) 2.068 16.224 ( 4.318 -3.077 -6.083) 8.070 16.738 ( -4.118 -2.273 4.548) 6.543 16.832 ( -0.200 2.521 2.716) 3.711 16.934 ( -0.290 -2.144 -0.558) 2.234 17.180 ( 2.246 -0.651 -1.560) 2.811 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.762 ( -2.876 15.777 7.238) 17.594 0.945 ( 0.586 11.625 -2.098) 11.827 1.214 ( -0.082 -0.047 0.490) 0.499 1.304 ( -1.165 -0.862 1.571) 2.138 1.347 ( -0.542 0.665 -0.507) 0.997 1.460 ( -0.732 0.064 0.785) 1.075 1.486 ( -0.693 2.775 2.343) 3.697 1.611 ( 2.670 -0.146 -2.914) 3.955 1.636 ( -1.977 3.919 1.829) 4.756 1.769 ( 2.154 -0.235 -0.611) 2.251 1.814 ( -1.941 3.078 1.928) 4.119 1.915 ( 10.146 0.190 -7.602) 12.679 1.973 ( 2.988 -3.328 -2.259) 5.011 2.030 ( -1.303 0.097 1.822) 2.242 2.101 ( -4.892 0.327 -2.084) 5.327 2.242 ( 3.784 0.810 -1.005) 3.998 2.275 ( -0.647 0.877 0.016) 1.090 2.382 ( 1.549 0.151 -0.135) 1.563 2.498 ( 0.204 7.250 -0.270) 7.258 2.563 ( -0.786 0.478 -0.262) 0.957 2.669 ( -0.756 0.029 -2.326) 2.446 2.694 ( -4.556 -0.565 3.126) 5.554 2.934 ( -6.398 -2.351 12.082) 13.872 3.015 ( 1.021 -0.227 1.215) 1.603 3.158 ( 3.193 0.882 -6.235) 7.060 3.302 ( -2.229 -2.774 -4.349) 5.620 3.326 ( 3.330 -4.835 0.478) 5.891 3.531 ( -0.637 -1.868 1.074) 2.247 3.650 ( 1.714 2.771 0.732) 3.340 3.792 ( -3.313 -1.071 1.883) 3.958 3.824 ( 0.199 1.125 4.376) 4.522 3.977 ( -2.729 -3.037 -0.085) 4.084 4.219 ( 1.330 1.238 1.151) 2.150 4.286 ( -1.515 0.707 -2.244) 2.798 4.422 ( 1.773 4.182 -3.357) 5.648 4.521 ( 1.917 -2.402 2.367) 3.879 4.619 ( 0.701 -1.842 -5.490) 5.834 4.756 ( -1.190 -1.987 1.351) 2.681 4.848 ( 0.053 -3.208 -2.682) 4.182 4.947 ( -2.422 -1.462 3.480) 4.485 5.067 ( -0.209 0.233 4.639) 4.649 5.607 ( 2.759 1.967 -0.853) 3.494 5.640 ( -2.304 -0.340 -2.107) 3.141 5.708 ( 1.222 3.316 -2.572) 4.371 5.907 ( 2.419 3.034 -2.003) 4.367 6.046 ( 0.290 -3.830 -0.627) 3.891 6.143 ( 0.303 2.551 -1.033) 2.769 6.261 ( 1.809 -3.674 -2.274) 4.684 6.495 ( -1.337 1.190 2.661) 3.207 6.544 ( -0.463 -2.960 0.841) 3.112 6.632 ( -2.752 -1.082 4.071) 5.032 6.797 ( -1.224 -1.457 1.602) 2.487 7.346 ( 0.211 -0.329 -0.581) 0.700 7.574 ( 3.139 -2.339 -4.198) 5.740 7.657 ( -0.156 0.171 1.352) 1.372 7.733 ( 0.049 0.016 -1.604) 1.605 7.845 ( -0.159 -0.568 2.632) 2.697 7.919 ( 1.702 -0.016 -1.307) 2.146 7.926 ( 0.875 0.408 -3.583) 3.711 8.086 ( -2.374 0.518 2.444) 3.446 8.087 ( -1.772 0.804 2.340) 3.044 8.208 ( 0.406 -0.801 -2.341) 2.507 8.310 ( -0.534 -0.999 2.321) 2.583 8.324 ( 0.585 1.986 -0.306) 2.093 8.993 ( -0.840 1.919 1.749) 2.729 9.076 ( 0.439 -0.258 -0.579) 0.771 9.107 ( 0.191 -1.929 -0.223) 1.951 9.260 ( 1.214 -0.737 -2.428) 2.813 11.883 ( -0.267 0.120 0.323) 0.436 11.919 ( -0.119 -0.408 0.129) 0.444 11.961 ( 1.087 -0.275 -0.012) 1.121 11.993 ( -0.764 0.859 0.078) 1.153 15.284 ( 0.143 -1.056 -1.192) 1.599 15.356 ( 0.311 -0.894 -0.331) 1.002 15.503 ( -1.726 -0.564 1.741) 2.516 15.540 ( -1.737 -0.832 3.727) 4.196 15.695 ( 0.518 -0.400 -0.621) 0.902 15.815 ( -1.100 2.998 0.833) 3.301 16.105 ( 0.847 1.278 -1.460) 2.117 16.268 ( 5.738 -1.625 -7.088) 9.263 16.769 ( -5.298 -2.604 5.571) 8.117 16.814 ( -0.421 0.789 1.769) 1.982 16.952 ( 0.186 -0.667 -0.490) 0.848 17.175 ( 1.001 1.615 -2.789) 3.375 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.604 ( 4.462 14.037 8.594) 17.053 0.721 ( 0.815 13.445 7.644) 15.488 1.217 ( 0.471 1.764 1.614) 2.437 1.260 ( -2.001 7.258 4.978) 9.025 1.330 ( -3.307 -0.672 1.622) 3.744 1.438 ( -0.943 2.750 1.007) 3.076 1.458 ( -1.655 0.734 3.495) 3.936 1.563 ( -2.806 6.876 4.213) 8.538 1.583 ( 0.689 3.097 1.432) 3.480 1.697 ( 1.709 4.585 2.704) 5.590 1.863 ( 0.100 -5.429 0.737) 5.480 1.971 ( 7.367 -0.136 -6.607) 9.896 2.011 ( -5.541 -1.390 -0.540) 5.738 2.021 ( 3.192 -2.383 -3.803) 5.507 2.102 ( 0.483 -2.049 -0.254) 2.120 2.259 ( -0.259 0.967 -0.652) 1.194 2.280 ( 4.318 -0.979 0.574) 4.465 2.378 ( 0.617 2.353 -0.069) 2.434 2.418 ( 2.854 2.055 -1.437) 3.800 2.540 ( -0.223 1.776 -0.347) 1.823 2.624 ( -2.109 0.925 -2.590) 3.465 2.709 ( 0.717 -2.443 -1.718) 3.071 2.971 ( -5.057 -1.958 6.449) 8.426 3.067 ( -2.242 -3.663 4.320) 6.092 3.140 ( 2.548 -0.356 -2.746) 3.763 3.289 ( -1.389 -1.038 -4.240) 4.581 3.399 ( 1.713 -0.509 -0.432) 1.839 3.545 ( -2.404 -1.373 -1.601) 3.198 3.614 ( 0.774 4.244 2.126) 4.810 3.713 ( -3.802 6.017 8.869) 11.372 3.872 ( 0.386 -2.191 -3.866) 4.461 4.020 ( 1.138 -2.953 -0.354) 3.185 4.195 ( 0.272 3.738 -1.823) 4.167 4.238 ( 0.032 2.079 0.225) 2.092 4.387 ( 0.313 -1.332 -3.554) 3.808 4.575 ( -0.265 -0.895 -0.142) 0.944 4.647 ( 2.883 -5.197 -6.016) 8.456 4.775 ( -1.753 -0.026 -3.201) 3.650 4.833 ( -0.638 0.470 -0.205) 0.819 5.013 ( -2.793 -6.219 3.986) 7.897 5.112 ( 0.252 -1.815 5.417) 5.718 5.525 ( 0.377 5.279 -3.855) 6.548 5.636 ( -0.433 0.633 1.340) 1.544 5.689 ( -0.082 -0.506 -1.022) 1.143 5.870 ( 3.269 3.096 0.141) 4.505 6.057 ( -2.353 2.868 2.411) 4.425 6.146 ( 1.440 -3.982 -2.676) 5.009 6.323 ( 1.138 -3.970 -3.308) 5.291 6.468 ( -1.105 1.878 2.058) 2.998 6.600 ( 0.548 -3.163 -0.566) 3.260 6.660 ( -1.717 -1.889 2.879) 3.848 6.819 ( -0.445 -1.311 -0.446) 1.455 7.361 ( 0.426 -1.468 -0.262) 1.551 7.601 ( 0.708 -0.124 0.317) 0.785 7.676 ( -0.998 -3.210 -1.321) 3.612 7.736 ( 0.848 -1.216 -1.732) 2.279 7.873 ( 1.206 -0.459 1.711) 2.143 7.899 ( 1.072 1.045 -3.884) 4.162 7.924 ( 0.586 0.278 0.395) 0.759 8.047 ( -2.571 2.694 2.048) 4.250 8.080 ( -3.482 -0.617 2.745) 4.477 8.195 ( 0.228 0.587 -3.322) 3.381 8.269 ( 0.485 3.705 0.112) 3.739 8.362 ( 0.232 -1.866 2.698) 3.289 8.967 ( -0.951 1.703 2.456) 3.136 9.088 ( 0.889 -0.503 -0.777) 1.283 9.134 ( 0.610 -1.508 -0.289) 1.652 9.244 ( 0.000 1.441 -4.170) 4.412 11.882 ( -0.205 0.002 0.490) 0.531 11.927 ( 0.405 -0.295 -0.057) 0.504 11.969 ( -0.418 0.724 0.060) 0.838 11.980 ( 0.439 -0.315 0.528) 0.755 15.297 ( 0.219 -1.542 -1.546) 2.194 15.364 ( -0.552 -0.491 -0.784) 1.077 15.502 ( -2.319 -0.171 1.777) 2.927 15.541 ( -2.150 1.221 2.600) 3.588 15.717 ( 0.090 -2.000 -0.695) 2.119 15.780 ( 0.625 1.135 1.153) 1.734 16.086 ( 1.061 1.675 0.092) 1.985 16.282 ( 5.291 0.638 -8.379) 9.930 16.776 ( -5.208 -0.826 4.388) 6.860 16.830 ( -1.682 -2.228 1.582) 3.209 16.953 ( 0.134 0.533 -0.315) 0.633 17.107 ( -0.819 4.967 -4.358) 6.658 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.661 ( -5.219 0.000 14.409) 15.325 0.713 ( 5.047 -0.000 11.835) 12.866 1.214 ( 3.670 -0.000 -2.467) 4.422 1.225 ( -6.564 0.000 4.627) 8.031 1.326 ( 0.046 -0.000 2.156) 2.156 1.407 ( 3.342 -0.000 -1.205) 3.553 1.531 ( 2.796 -0.000 1.999) 3.437 1.660 ( 0.357 -0.000 3.241) 3.260 1.678 ( -0.435 0.000 -2.357) 2.397 1.878 ( -0.705 0.000 -1.255) 1.440 1.915 ( 4.518 -0.000 1.462) 4.749 1.938 ( -2.300 0.000 -2.681) 3.532 1.998 ( -1.626 0.000 0.094) 1.629 2.089 ( 0.753 -0.000 0.517) 0.914 2.100 ( -0.233 0.000 2.453) 2.464 2.211 ( -3.858 0.000 -3.622) 5.292 2.232 ( 7.551 -0.000 8.601) 11.445 2.375 ( 1.849 -0.000 -2.104) 2.801 2.510 ( 1.927 -0.000 -2.095) 2.846 2.521 ( 0.598 -0.000 4.522) 4.562 2.664 ( 6.802 -0.000 -4.995) 8.439 2.760 ( 4.177 -0.000 -6.846) 8.020 2.871 ( -3.158 0.000 -4.209) 5.262 3.178 ( -2.043 0.000 -0.429) 2.087 3.211 ( -7.317 0.000 8.817) 11.458 3.225 ( -1.925 0.000 3.021) 3.582 3.243 ( 0.406 -0.000 -3.445) 3.469 3.434 ( -1.732 0.000 -5.451) 5.720 3.608 ( -0.539 0.000 5.736) 5.762 3.799 ( -1.923 0.000 -0.555) 2.002 3.820 ( -0.657 0.000 9.414) 9.437 3.978 ( -1.515 0.000 -4.993) 5.217 4.067 ( -0.392 0.000 -1.467) 1.519 4.246 ( 0.950 -0.000 4.104) 4.213 4.413 ( 4.932 -0.000 -6.497) 8.157 4.462 ( -1.399 0.000 -1.303) 1.912 4.549 ( 5.538 -0.000 -2.846) 6.227 4.754 ( 2.673 -0.000 -3.557) 4.449 4.946 ( -1.022 0.000 2.242) 2.464 5.067 ( -2.925 0.000 -1.695) 3.380 5.318 ( -0.094 0.000 -0.989) 0.994 5.356 ( 1.681 -0.000 5.387) 5.643 5.637 ( -2.484 0.000 0.267) 2.499 5.707 ( 3.786 -0.000 0.328) 3.801 5.833 ( -3.103 0.000 -1.572) 3.478 6.031 ( 0.869 -0.000 3.332) 3.443 6.162 ( -4.784 0.000 1.136) 4.917 6.256 ( -4.237 0.000 -0.123) 4.238 6.543 ( 1.415 -0.000 1.591) 2.129 6.614 ( 0.043 -0.000 -2.677) 2.677 6.682 ( 4.302 -0.000 -4.576) 6.280 6.825 ( 0.286 -0.000 -0.042) 0.289 7.465 ( 0.610 -0.000 2.268) 2.349 7.538 ( -2.857 0.000 0.185) 2.862 7.617 ( -2.437 0.000 -0.753) 2.550 7.831 ( 1.436 -0.000 -0.094) 1.439 7.836 ( 1.597 -0.000 -2.309) 2.808 7.879 ( -1.330 0.000 0.548) 1.438 7.915 ( -0.228 0.000 -0.699) 0.735 8.004 ( -1.043 0.000 2.817) 3.003 8.064 ( -1.035 0.000 2.327) 2.547 8.075 ( 1.648 -0.000 -2.701) 3.164 8.252 ( -0.231 0.000 1.493) 1.510 8.439 ( -0.034 0.000 0.266) 0.268 8.934 ( -2.030 0.000 1.022) 2.273 9.032 ( -1.169 0.000 0.816) 1.425 9.169 ( 1.513 -0.000 -0.939) 1.781 9.215 ( 0.765 -0.000 -0.533) 0.933 11.895 ( -0.235 0.000 0.330) 0.405 11.909 ( -1.604 0.000 0.458) 1.668 11.933 ( 0.403 -0.000 -0.209) 0.454 12.032 ( 0.384 -0.000 0.085) 0.394 15.321 ( -0.180 0.000 -0.786) 0.806 15.363 ( 1.196 -0.000 -0.500) 1.296 15.410 ( -1.964 0.000 1.708) 2.602 15.452 ( -1.931 0.000 1.655) 2.543 15.810 ( 1.640 -0.000 -1.339) 2.117 15.891 ( 5.826 -0.000 -0.880) 5.892 16.072 ( -0.832 0.000 0.899) 1.224 16.155 ( -1.519 0.000 -0.536) 1.611 16.735 ( -2.019 0.000 1.497) 2.513 16.801 ( -1.807 0.000 0.144) 1.813 16.985 ( 2.905 -0.000 1.265) 3.169 17.027 ( 2.930 -0.000 0.880) 3.060 ======================= Grid point 68 (31/88) ======================= q-point: ( 0.43 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.715 ( 2.170 -5.937 4.514) 7.767 0.980 ( -1.200 -15.402 11.652) 19.350 1.204 ( -4.510 -0.998 3.263) 5.656 1.243 ( 0.725 -1.499 -0.175) 1.674 1.337 ( 0.262 0.191 0.172) 0.367 1.428 ( 2.920 -0.028 -1.061) 3.107 1.565 ( 2.192 1.168 2.964) 3.867 1.595 ( -1.362 3.856 -0.461) 4.115 1.685 ( -1.306 0.197 -2.698) 3.004 1.842 ( -1.331 1.949 -1.954) 3.064 1.905 ( 2.148 3.107 -0.889) 3.880 1.921 ( 0.072 1.095 0.250) 1.126 1.988 ( 0.116 0.159 -1.170) 1.186 2.063 ( 0.496 0.943 0.685) 1.267 2.145 ( -2.223 -2.845 -2.232) 4.245 2.164 ( -1.423 -1.719 -5.112) 5.578 2.352 ( 5.539 0.567 7.830) 9.608 2.416 ( 2.836 -3.574 -1.128) 4.700 2.484 ( 1.610 2.541 -3.062) 4.292 2.575 ( 0.693 -1.957 3.886) 4.406 2.630 ( 3.688 2.939 -6.679) 8.176 2.799 ( -0.578 -3.420 -4.249) 5.485 2.862 ( 1.882 -3.085 -3.298) 4.892 3.135 ( -5.678 5.624 9.489) 12.406 3.150 ( -1.180 2.848 0.386) 3.107 3.194 ( -1.159 1.537 -0.167) 1.932 3.295 ( -0.310 -4.294 3.173) 5.348 3.368 ( -2.117 1.668 -4.924) 5.613 3.634 ( -1.864 0.031 4.509) 4.879 3.776 ( -0.935 0.720 -0.319) 1.223 3.872 ( -2.459 -1.772 7.676) 8.253 3.938 ( -0.240 0.537 -3.236) 3.289 4.099 ( 0.291 -4.478 -1.342) 4.684 4.269 ( -0.341 0.345 3.829) 3.860 4.440 ( 3.372 -2.145 -3.785) 5.505 4.516 ( 2.129 -6.441 -1.485) 6.945 4.566 ( 6.144 2.531 -2.252) 7.016 4.734 ( 1.486 2.825 -1.220) 3.417 4.906 ( -2.313 4.338 1.765) 5.223 5.023 ( -1.643 1.192 -2.309) 3.074 5.223 ( -0.179 7.150 1.240) 7.259 5.480 ( 2.644 -5.220 3.037) 6.592 5.614 ( -3.750 -0.951 -0.174) 3.873 5.753 ( 4.799 -1.182 -1.987) 5.326 5.820 ( -0.544 -1.582 -1.363) 2.158 6.034 ( -3.988 0.521 2.665) 4.825 6.149 ( -1.355 -1.289 0.462) 1.927 6.233 ( -3.192 -1.015 1.225) 3.566 6.520 ( 2.326 4.227 -0.103) 4.826 6.580 ( -0.715 1.618 -2.739) 3.260 6.715 ( 1.364 -0.906 -0.823) 1.833 6.812 ( 0.233 1.313 -0.342) 1.377 7.438 ( -0.372 3.390 1.013) 3.558 7.532 ( -0.123 -0.334 -4.343) 4.358 7.615 ( -1.798 -2.288 4.043) 4.981 7.791 ( 2.031 3.574 -1.183) 4.277 7.857 ( -1.042 -0.148 -1.448) 1.791 7.861 ( 1.130 -0.199 -0.696) 1.342 7.952 ( 0.059 -2.263 -0.296) 2.283 7.988 ( -2.305 -0.395 1.111) 2.589 8.072 ( -0.427 -0.578 3.756) 3.824 8.118 ( 1.682 -2.575 -0.357) 3.096 8.264 ( -0.560 -1.031 0.325) 1.217 8.425 ( -0.580 1.388 -0.239) 1.523 8.944 ( -1.496 -2.628 0.349) 3.044 9.027 ( -0.757 0.214 1.145) 1.389 9.187 ( 1.173 -1.297 -1.189) 2.115 9.198 ( 0.372 2.179 -0.489) 2.264 11.891 ( -0.510 -0.022 -0.381) 0.637 11.905 ( -0.922 -0.167 1.027) 1.391 11.938 ( 0.410 -0.277 -0.162) 0.521 12.030 ( 0.055 0.368 -0.329) 0.496 15.292 ( -0.001 1.975 -0.006) 1.975 15.358 ( 0.481 1.522 0.290) 1.622 15.430 ( -1.439 -2.712 1.303) 3.335 15.475 ( -1.060 -2.447 2.281) 3.509 15.786 ( 1.627 3.543 -0.511) 3.932 15.925 ( 3.283 0.904 -0.444) 3.434 16.097 ( 0.037 -3.618 -1.970) 4.120 16.141 ( -0.753 -0.192 -1.059) 1.314 16.715 ( -2.279 0.832 2.285) 3.332 16.826 ( -0.806 -3.674 -0.087) 3.763 16.954 ( 1.263 4.673 1.948) 5.218 17.107 ( 2.431 -3.824 0.250) 4.538 ======================= Grid point 69 (32/88) ======================= q-point: (-0.43 -0.71 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.878 ( 3.025 -8.917 -1.816) 9.589 1.186 ( 2.463 2.684 2.311) 4.314 1.220 ( -5.474 -4.779 6.153) 9.522 1.265 ( -4.451 -3.428 1.160) 5.737 1.319 ( 1.047 1.265 1.343) 2.121 1.442 ( 1.739 -0.027 -1.441) 2.259 1.513 ( 0.533 1.714 0.468) 1.855 1.606 ( 0.141 3.320 -3.121) 4.559 1.649 ( -1.761 -5.839 -0.392) 6.111 1.789 ( 0.997 3.268 -2.105) 4.013 1.848 ( 0.605 4.416 0.460) 4.481 1.911 ( -0.520 -0.120 -0.933) 1.075 1.971 ( 4.311 1.810 -5.550) 7.257 2.075 ( -0.840 -0.642 0.839) 1.350 2.112 ( -2.961 -0.839 -5.669) 6.451 2.193 ( 0.924 -2.482 -1.508) 3.048 2.344 ( -2.297 1.739 -3.320) 4.396 2.442 ( 2.452 2.868 -1.874) 4.213 2.526 ( 4.394 -3.044 3.835) 6.578 2.607 ( -0.447 -2.582 -1.666) 3.106 2.625 ( -0.494 -1.116 1.732) 2.118 2.777 ( 1.463 5.314 -0.529) 5.537 2.908 ( -1.105 -3.135 -2.433) 4.120 3.047 ( -4.908 4.513 8.036) 10.442 3.143 ( -0.836 -1.258 3.689) 3.987 3.174 ( 1.665 -0.283 -2.311) 2.862 3.308 ( -0.027 1.436 -3.306) 3.605 3.397 ( 0.077 -5.495 3.588) 6.563 3.635 ( -1.876 -0.790 2.183) 2.985 3.755 ( -0.784 1.084 -0.151) 1.346 3.905 ( -3.331 -1.652 2.543) 4.504 3.935 ( 1.653 1.266 4.023) 4.530 4.171 ( 1.767 -4.127 -1.828) 4.847 4.284 ( -2.409 -1.151 3.530) 4.426 4.472 ( 3.071 -1.313 -5.556) 6.483 4.555 ( 5.574 3.900 -0.122) 6.804 4.611 ( -0.054 -2.092 -1.621) 2.647 4.710 ( 1.067 -0.977 1.809) 2.316 4.814 ( -2.775 5.129 1.333) 5.982 4.979 ( -0.974 1.605 -1.135) 2.194 5.134 ( -0.439 4.663 2.709) 5.411 5.561 ( -0.618 -1.303 2.905) 3.243 5.624 ( 0.439 -3.372 -2.333) 4.124 5.787 ( 5.398 0.018 -4.927) 7.308 5.853 ( -0.300 -3.053 -0.835) 3.180 6.003 ( -2.937 -0.398 0.367) 2.986 6.165 ( -0.287 -1.331 -0.754) 1.556 6.238 ( -0.152 0.246 0.930) 0.974 6.479 ( 0.994 1.918 0.201) 2.170 6.536 ( -1.399 1.027 -1.112) 2.061 6.690 ( -2.618 3.539 3.618) 5.698 6.802 ( 0.310 0.651 0.212) 0.751 7.387 ( -0.280 2.882 -0.046) 2.896 7.514 ( 1.862 -0.511 -4.617) 5.005 7.669 ( -0.724 -1.842 3.098) 3.677 7.757 ( 2.099 2.076 -1.010) 3.120 7.832 ( -1.826 -0.028 0.346) 1.859 7.884 ( 1.676 -1.106 -1.472) 2.490 7.938 ( 0.759 0.576 -3.809) 3.927 8.036 ( -2.389 -3.854 4.041) 6.074 8.094 ( -1.346 -0.248 3.573) 3.826 8.166 ( 2.176 -1.547 -0.681) 2.755 8.275 ( -0.604 -1.098 -0.189) 1.267 8.389 ( -1.020 1.851 -0.321) 2.137 8.985 ( -0.955 -3.333 -0.755) 3.549 9.031 ( 0.262 -0.364 1.869) 1.922 9.151 ( -0.139 3.378 -0.223) 3.388 9.214 ( 0.847 -1.844 -1.647) 2.613 11.886 ( -0.404 -0.078 -0.211) 0.463 11.907 ( -0.381 -0.222 0.799) 0.912 11.947 ( 0.533 -0.514 -0.046) 0.742 12.018 ( -0.369 0.638 -0.592) 0.945 15.272 ( -0.016 0.726 0.258) 0.770 15.345 ( 0.368 0.612 0.135) 0.726 15.463 ( -1.486 -1.872 1.275) 2.709 15.520 ( -0.458 -1.637 3.600) 3.981 15.738 ( 1.009 3.326 -0.191) 3.481 15.908 ( 0.013 2.619 0.032) 2.619 16.120 ( -0.033 -0.895 -3.458) 3.572 16.170 ( 2.910 -3.705 -3.007) 5.589 16.709 ( -2.594 -0.674 3.572) 4.466 16.881 ( -0.025 -3.601 -0.387) 3.622 16.900 ( -0.518 4.205 2.760) 5.056 17.170 ( 1.529 -2.068 -0.778) 2.687 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.963 ( 1.326 2.089 0.614) 2.549 1.082 ( 0.253 8.366 2.293) 8.678 1.217 ( -2.056 0.796 -0.104) 2.207 1.294 ( -1.851 -0.608 3.289) 3.823 1.338 ( 0.937 -0.742 -1.226) 1.712 1.450 ( 0.453 -0.658 -0.448) 0.916 1.516 ( -3.185 2.080 -0.411) 3.826 1.550 ( -0.936 -4.403 -1.738) 4.825 1.691 ( 0.371 3.065 -4.035) 5.081 1.780 ( 2.884 -1.741 -0.078) 3.369 1.816 ( -0.193 0.273 2.771) 2.791 1.907 ( 0.447 -2.132 -4.257) 4.782 1.965 ( 7.220 -0.102 -8.344) 11.034 2.021 ( -5.387 1.133 -2.911) 6.227 2.099 ( 1.166 0.953 0.806) 1.708 2.236 ( 0.946 -2.156 -0.381) 2.385 2.295 ( 1.955 0.632 -3.982) 4.481 2.401 ( -1.704 1.519 0.054) 2.283 2.574 ( -2.701 2.574 2.197) 4.330 2.615 ( 2.323 1.989 1.122) 3.257 2.650 ( -2.422 -2.071 1.753) 3.637 2.695 ( 2.514 5.877 0.935) 6.460 2.926 ( -5.305 -2.836 6.609) 8.937 3.019 ( -1.854 1.141 2.303) 3.169 3.151 ( 2.828 -0.600 -4.154) 5.061 3.212 ( -1.899 -2.806 -0.407) 3.413 3.306 ( 3.233 -1.166 0.125) 3.439 3.491 ( -0.495 -4.063 1.865) 4.498 3.669 ( 0.377 -3.312 0.167) 3.338 3.729 ( -1.936 0.464 0.318) 2.016 3.902 ( -4.906 1.470 5.885) 7.801 3.948 ( 3.101 1.291 2.313) 4.079 4.223 ( 1.581 -1.661 -1.416) 2.696 4.289 ( -1.691 0.662 1.671) 2.468 4.459 ( 2.106 1.372 -6.605) 7.067 4.550 ( 3.227 1.410 -0.067) 3.522 4.592 ( -0.729 0.760 0.632) 1.228 4.732 ( -3.549 1.752 0.956) 4.072 4.784 ( 2.004 -3.625 0.282) 4.151 4.943 ( -1.892 1.246 0.345) 2.291 5.109 ( 0.183 1.294 4.705) 4.883 5.574 ( -3.463 -1.902 -0.055) 3.952 5.653 ( 2.640 0.683 -2.532) 3.721 5.778 ( 4.973 3.338 -3.528) 6.952 5.898 ( 0.075 -3.817 -1.684) 4.173 6.014 ( 2.158 -1.540 -2.056) 3.355 6.164 ( -0.793 0.828 -1.186) 1.650 6.228 ( 0.577 0.034 -1.246) 1.374 6.490 ( -0.287 -1.637 1.686) 2.368 6.516 ( -2.106 -0.181 1.544) 2.618 6.638 ( -3.120 2.073 4.354) 5.744 6.792 ( -0.969 0.712 1.895) 2.245 7.351 ( 0.013 1.220 -0.425) 1.292 7.532 ( 3.025 -2.203 -4.629) 5.952 7.681 ( -0.731 0.983 1.955) 2.308 7.735 ( 1.138 1.236 -2.322) 2.866 7.847 ( -0.810 -1.319 3.894) 4.190 7.904 ( 0.688 -0.984 -1.905) 2.252 7.921 ( 2.235 -0.180 -4.645) 5.158 8.085 ( -1.885 -1.560 3.234) 4.055 8.094 ( -1.834 0.795 2.644) 3.314 8.191 ( 1.311 -0.455 -1.452) 2.009 8.293 ( -0.286 -1.595 1.089) 1.952 8.352 ( -0.677 1.545 -0.450) 1.746 9.006 ( -0.866 -0.792 0.299) 1.211 9.072 ( 1.500 -1.982 0.875) 2.635 9.099 ( -0.390 2.300 0.016) 2.333 9.234 ( 0.187 -1.373 -2.327) 2.708 11.883 ( -0.239 0.002 0.099) 0.258 11.915 ( 0.107 -0.373 0.569) 0.688 11.962 ( 0.688 -0.645 0.206) 0.965 11.998 ( -0.795 0.806 -0.675) 1.318 15.270 ( 0.263 -0.251 -0.192) 0.411 15.346 ( 0.487 -0.337 -0.508) 0.780 15.477 ( -2.178 -0.947 1.628) 2.879 15.553 ( -0.682 -0.177 4.440) 4.496 15.706 ( 0.680 1.395 -0.429) 1.610 15.857 ( -0.960 2.891 0.110) 3.048 16.112 ( 0.904 0.038 -2.490) 2.650 16.234 ( 4.217 -3.208 -5.622) 7.725 16.729 ( -2.866 -1.640 4.536) 5.611 16.849 ( -1.951 2.971 3.039) 4.677 16.928 ( 0.513 -2.258 -0.568) 2.385 17.186 ( 0.783 0.268 -1.959) 2.127 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.899 ( 5.049 11.024 7.476) 14.244 0.955 ( 2.657 9.696 1.139) 10.118 1.211 ( -1.564 -2.322 0.895) 2.940 1.288 ( -3.240 0.189 1.492) 3.572 1.338 ( 1.543 1.292 -1.773) 2.682 1.446 ( -2.106 -0.218 0.083) 2.119 1.471 ( -2.433 1.048 1.323) 2.961 1.612 ( -1.098 -0.009 1.429) 1.802 1.624 ( 2.791 -0.133 -3.747) 4.674 1.789 ( 0.110 2.444 -0.379) 2.476 1.819 ( -0.413 -0.401 2.869) 2.926 1.945 ( -3.647 -0.251 -1.666) 4.017 1.965 ( 1.664 -4.470 -3.560) 5.951 2.003 ( 6.995 -0.674 -6.486) 9.563 2.103 ( 1.486 0.816 0.961) 1.949 2.249 ( 0.472 -0.862 -3.244) 3.389 2.322 ( 4.677 0.041 1.044) 4.792 2.373 ( -2.631 0.248 0.922) 2.799 2.493 ( -0.208 3.239 -1.098) 3.426 2.608 ( -0.592 2.691 2.259) 3.563 2.614 ( 2.340 5.617 -0.040) 6.085 2.675 ( -0.317 -1.586 1.682) 2.334 2.975 ( -4.554 1.300 8.383) 9.628 2.999 ( -4.729 -4.875 2.023) 7.087 3.163 ( 4.979 0.706 -4.518) 6.760 3.220 ( -2.464 -1.965 -2.415) 3.970 3.371 ( 1.359 -3.223 0.123) 3.500 3.516 ( -1.779 0.482 0.262) 1.862 3.687 ( -0.352 2.560 2.499) 3.595 3.756 ( -0.335 -5.399 -3.019) 6.194 3.839 ( -4.969 4.471 7.246) 9.858 3.988 ( 1.831 -1.940 1.134) 2.899 4.230 ( -0.186 0.992 -3.476) 3.620 4.261 ( 1.189 2.423 1.495) 3.085 4.407 ( 2.229 2.623 -4.067) 5.328 4.558 ( 0.184 -2.079 -6.017) 6.369 4.597 ( 2.273 0.689 3.288) 4.057 4.719 ( -2.651 -2.636 -0.749) 3.812 4.836 ( 0.682 -0.253 -0.981) 1.221 4.927 ( -2.891 -2.510 2.577) 4.615 5.132 ( -0.471 -0.270 4.748) 4.779 5.545 ( -2.053 1.091 -3.878) 4.521 5.639 ( 1.097 1.242 0.323) 1.688 5.749 ( 4.561 3.683 -1.845) 6.146 5.926 ( 1.593 0.511 -1.275) 2.103 6.065 ( 3.390 -3.634 -1.860) 5.306 6.110 ( -2.199 3.112 -0.804) 3.895 6.253 ( 0.409 -3.465 -2.364) 4.215 6.496 ( -2.550 1.285 3.139) 4.243 6.545 ( -0.090 -3.475 0.439) 3.504 6.632 ( -2.795 -1.283 4.299) 5.286 6.793 ( -1.280 -0.882 1.483) 2.149 7.346 ( 0.376 -0.593 -0.256) 0.747 7.571 ( 2.910 -2.807 -5.115) 6.520 7.658 ( -2.334 1.443 2.478) 3.698 7.725 ( 1.674 0.000 -2.460) 2.976 7.879 ( -0.521 -0.358 1.912) 2.014 7.899 ( 1.188 -0.412 -2.256) 2.583 7.932 ( 1.852 -0.358 -1.711) 2.547 8.071 ( -1.889 1.452 1.676) 2.913 8.084 ( -1.797 1.576 2.590) 3.525 8.189 ( 0.308 0.334 -1.797) 1.853 8.312 ( -0.833 1.226 0.649) 1.618 8.343 ( 0.489 -1.870 1.172) 2.260 9.000 ( -0.700 1.386 1.851) 2.416 9.088 ( 0.955 -0.844 0.027) 1.275 9.107 ( 0.340 -1.012 -0.617) 1.233 9.230 ( -0.482 -0.027 -2.804) 2.845 11.883 ( -0.159 -0.033 0.395) 0.427 11.926 ( 0.469 -0.349 0.259) 0.639 11.972 ( -1.413 0.574 -0.316) 1.557 11.982 ( 1.018 -0.436 0.333) 1.157 15.277 ( 0.442 -0.505 -0.756) 1.011 15.351 ( 0.171 -0.253 -1.142) 1.182 15.480 ( -2.543 -0.913 2.160) 3.459 15.559 ( -1.835 1.019 3.208) 3.834 15.700 ( 0.750 -0.224 -0.619) 0.998 15.818 ( 0.462 1.742 0.895) 2.012 16.108 ( 1.391 0.334 -1.232) 1.888 16.268 ( 3.685 -1.180 -7.249) 8.217 16.752 ( -3.577 -0.878 5.009) 6.217 16.814 ( -2.062 0.685 2.275) 3.146 16.950 ( 0.298 -0.481 -0.636) 0.851 17.153 ( 0.820 2.936 -2.785) 4.129 ======================= Grid point 75 (35/88) ======================= q-point: (-0.57 -0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.681 ( -8.702 0.000 9.878) 13.164 0.900 ( 0.555 -0.000 11.915) 11.928 1.159 ( -6.590 0.000 3.434) 7.431 1.258 ( 3.438 -0.000 -1.761) 3.863 1.337 ( -0.540 0.000 0.645) 0.842 1.443 ( 1.998 -0.000 -1.183) 2.322 1.561 ( -0.975 0.000 -1.193) 1.541 1.648 ( 1.245 -0.000 -1.575) 2.007 1.677 ( -1.328 0.000 0.501) 1.419 1.822 ( -0.763 0.000 -3.957) 4.030 1.933 ( 0.302 -0.000 1.691) 1.717 1.950 ( 0.963 -0.000 -0.028) 0.963 1.980 ( 0.105 -0.000 -1.083) 1.088 2.057 ( -1.982 0.000 -3.292) 3.842 2.090 ( -3.093 0.000 -4.722) 5.645 2.123 ( 2.625 -0.000 -0.413) 2.658 2.375 ( -4.718 0.000 -4.236) 6.341 2.403 ( 3.039 -0.000 -1.268) 3.293 2.532 ( 3.754 -0.000 2.490) 4.505 2.590 ( 0.444 -0.000 4.937) 4.957 2.655 ( 1.159 -0.000 -8.677) 8.754 2.735 ( 4.763 -0.000 -5.126) 6.998 2.824 ( 0.344 -0.000 -1.033) 1.089 3.161 ( -7.000 0.000 6.355) 9.455 3.173 ( 0.292 -0.000 1.203) 1.238 3.259 ( -1.633 0.000 6.453) 6.656 3.265 ( 4.694 -0.000 -0.226) 4.700 3.343 ( -1.010 0.000 -3.099) 3.260 3.646 ( -2.540 0.000 4.709) 5.350 3.779 ( -0.185 0.000 0.524) 0.555 3.853 ( -4.443 0.000 2.523) 5.110 3.947 ( 1.597 -0.000 2.300) 2.800 4.044 ( -0.443 0.000 -1.483) 1.548 4.287 ( -2.758 0.000 3.728) 4.638 4.445 ( 4.979 -0.000 -2.619) 5.626 4.478 ( 3.376 -0.000 1.017) 3.526 4.631 ( 6.887 -0.000 -2.175) 7.222 4.761 ( 0.245 -0.000 -0.056) 0.252 4.935 ( -2.192 0.000 1.114) 2.459 4.991 ( -1.168 0.000 -5.139) 5.270 5.319 ( 0.768 -0.000 -0.022) 0.768 5.446 ( 1.303 -0.000 3.600) 3.828 5.571 ( -4.298 0.000 1.213) 4.466 5.778 ( 5.095 -0.000 -2.189) 5.545 5.808 ( 1.456 -0.000 -1.059) 1.801 5.991 ( -8.377 0.000 1.617) 8.532 6.145 ( 0.264 -0.000 2.604) 2.617 6.202 ( -2.963 0.000 2.310) 3.757 6.558 ( -0.631 0.000 -1.536) 1.660 6.609 ( 2.298 -0.000 -0.537) 2.360 6.693 ( 3.368 -0.000 -5.079) 6.094 6.826 ( 0.258 -0.000 -0.625) 0.676 7.485 ( -1.002 0.000 1.533) 1.832 7.488 ( -0.860 0.000 -2.157) 2.323 7.601 ( -0.810 0.000 1.910) 2.075 7.837 ( 2.138 -0.000 -2.453) 3.254 7.841 ( 0.618 -0.000 -1.552) 1.671 7.887 ( -0.552 0.000 3.133) 3.181 7.904 ( -0.515 0.000 0.130) 0.531 7.974 ( -1.707 0.000 -1.708) 2.414 8.081 ( -0.618 0.000 3.161) 3.221 8.118 ( 2.308 -0.000 2.375) 3.312 8.248 ( -0.992 0.000 -0.353) 1.053 8.426 ( -0.738 0.000 -1.339) 1.529 8.914 ( -1.246 0.000 0.679) 1.419 9.031 ( -0.530 0.000 1.548) 1.636 9.176 ( 0.838 -0.000 -1.512) 1.728 9.215 ( 0.213 -0.000 -0.901) 0.926 11.881 ( -0.721 0.000 -0.429) 0.839 11.906 ( -0.302 0.000 1.146) 1.186 11.938 ( 0.321 -0.000 -0.107) 0.338 12.028 ( -0.187 0.000 -0.929) 0.948 15.319 ( 0.508 -0.000 0.090) 0.516 15.380 ( 0.976 -0.000 0.053) 0.977 15.415 ( -0.819 0.000 3.478) 3.573 15.443 ( -1.543 0.000 2.095) 2.602 15.835 ( 1.798 -0.000 0.477) 1.860 15.957 ( 3.743 -0.000 -2.070) 4.278 16.051 ( -1.436 0.000 -1.163) 1.848 16.118 ( -1.631 0.000 -1.573) 2.266 16.727 ( -1.132 0.000 2.123) 2.407 16.782 ( -0.595 0.000 0.178) 0.621 17.035 ( 1.026 -0.000 1.336) 1.684 17.071 ( 0.634 -0.000 1.296) 1.443 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.738 ( -4.106 -9.110 2.751) 10.364 1.061 ( -7.215 -11.579 12.724) 18.656 1.145 ( -3.388 -2.979 0.648) 4.557 1.260 ( 0.274 1.460 0.595) 1.600 1.339 ( 0.093 -0.428 -0.964) 1.058 1.446 ( 0.465 0.060 -1.304) 1.386 1.550 ( -2.043 -0.837 -1.696) 2.784 1.592 ( -2.442 5.594 -0.993) 6.185 1.646 ( 3.213 0.988 -3.859) 5.118 1.811 ( 0.096 0.032 -1.801) 1.804 1.908 ( -0.747 2.537 -0.645) 2.722 1.929 ( 0.171 3.146 -2.006) 3.735 1.987 ( 0.063 -0.007 -3.522) 3.523 2.023 ( -0.624 -0.448 -3.680) 3.759 2.054 ( -2.158 -2.003 -1.151) 3.162 2.166 ( 2.093 -1.971 1.106) 3.080 2.290 ( -5.642 -0.415 -5.027) 7.568 2.442 ( 2.007 -1.603 -2.462) 3.558 2.554 ( 1.380 0.417 -0.777) 1.638 2.582 ( 0.386 0.504 -5.538) 5.575 2.626 ( -0.152 -0.600 3.267) 3.325 2.787 ( 1.100 -4.463 -6.349) 7.839 2.859 ( 4.054 0.000 3.071) 5.086 3.113 ( -5.381 3.369 6.127) 8.823 3.168 ( 0.360 1.717 2.335) 2.921 3.226 ( 1.298 4.156 2.990) 5.282 3.308 ( 0.708 0.371 -0.577) 0.985 3.373 ( 3.951 -2.899 1.920) 5.263 3.636 ( -3.204 0.944 4.055) 5.254 3.762 ( -1.599 1.641 0.581) 2.364 3.857 ( -2.895 -2.970 2.073) 4.637 3.985 ( 2.389 -0.048 3.967) 4.632 4.082 ( 0.219 -5.622 -1.879) 5.931 4.273 ( -4.056 -0.206 2.854) 4.963 4.463 ( 4.350 0.405 -3.235) 5.436 4.566 ( 2.797 -3.886 1.545) 5.031 4.659 ( 6.557 2.525 -1.183) 7.125 4.739 ( -1.815 2.150 2.858) 4.010 4.877 ( -1.407 4.366 -0.743) 4.647 4.966 ( -0.753 -0.491 -3.857) 3.960 5.241 ( -0.423 7.067 2.170) 7.405 5.523 ( -4.335 -4.636 -0.713) 6.387 5.570 ( 2.313 -1.718 3.039) 4.188 5.802 ( 3.348 -0.391 -2.956) 4.483 5.828 ( 2.636 -0.928 -1.477) 3.161 5.942 ( -6.484 -1.633 0.817) 6.736 6.153 ( -0.220 0.348 1.537) 1.591 6.227 ( -0.721 -2.273 3.335) 4.100 6.532 ( -0.883 0.990 -2.414) 2.755 6.560 ( 3.295 5.537 -2.046) 6.760 6.718 ( -0.108 -0.402 -0.483) 0.638 6.814 ( 0.608 0.738 -0.632) 1.146 7.432 ( -0.894 3.175 0.235) 3.307 7.500 ( 0.647 -0.561 -2.335) 2.487 7.635 ( -0.358 -3.015 2.585) 3.987 7.803 ( 0.885 2.486 -2.720) 3.790 7.836 ( 0.481 1.615 0.227) 1.700 7.881 ( 1.430 -0.533 -0.636) 1.653 7.930 ( -0.568 0.463 -1.903) 2.039 7.976 ( -1.829 -3.731 3.347) 5.336 8.100 ( -1.011 -0.329 3.878) 4.021 8.165 ( 2.403 -1.295 1.520) 3.124 8.245 ( -1.009 -1.318 -0.979) 1.927 8.398 ( -1.161 1.209 -1.774) 2.441 8.929 ( -0.708 -2.384 0.354) 2.512 9.039 ( 0.129 -0.233 1.922) 1.940 9.183 ( 0.498 -1.319 -1.876) 2.347 9.192 ( -0.020 2.186 -1.003) 2.406 11.877 ( -0.457 -0.318 -0.240) 0.606 11.910 ( 0.033 0.055 0.978) 0.980 11.943 ( 0.304 -0.426 0.037) 0.524 12.017 ( -0.444 0.340 -1.321) 1.435 15.301 ( 0.434 2.216 0.757) 2.382 15.372 ( 0.543 1.895 0.475) 2.028 15.435 ( -0.610 -1.629 2.601) 3.129 15.492 ( -0.718 -3.480 3.403) 4.920 15.813 ( 1.223 4.368 0.720) 4.592 15.945 ( -0.105 2.537 -1.096) 2.766 16.062 ( 0.238 -3.163 -3.732) 4.898 16.121 ( 0.115 -3.069 -2.005) 3.668 16.716 ( -0.831 1.089 2.782) 3.101 16.820 ( 0.060 -3.711 0.096) 3.713 16.983 ( -0.920 4.930 2.553) 5.628 17.131 ( 0.009 -3.508 0.417) 3.532 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.879 ( -0.678 -9.863 -1.682) 10.029 1.134 ( -7.677 -4.326 -0.004) 8.812 1.203 ( -3.791 2.526 2.491) 5.191 1.267 ( -1.443 -3.812 4.070) 5.760 1.344 ( 0.664 -0.955 1.194) 1.667 1.439 ( -0.520 -0.620 -1.716) 1.897 1.485 ( -2.648 2.978 -3.336) 5.197 1.519 ( -1.460 0.992 0.330) 1.796 1.678 ( 2.827 -3.356 -2.821) 5.217 1.780 ( -0.973 0.673 -1.663) 2.041 1.849 ( -0.195 3.151 -2.151) 3.820 1.872 ( -1.352 0.041 -3.784) 4.019 1.940 ( -0.614 0.645 -4.046) 4.143 2.017 ( 3.994 1.115 -4.059) 5.803 2.093 ( 0.023 -2.468 0.881) 2.621 2.218 ( 0.809 -1.069 0.398) 1.398 2.263 ( 1.255 -2.934 -3.802) 4.964 2.405 ( -1.863 2.224 -3.349) 4.430 2.552 ( -2.637 -1.444 -3.709) 4.774 2.620 ( 0.881 -2.703 4.005) 4.911 2.639 ( -0.126 -0.434 0.450) 0.638 2.810 ( -3.124 -3.538 -2.844) 5.511 2.870 ( 4.024 5.803 2.833) 7.608 3.061 ( -2.402 2.557 5.365) 6.410 3.155 ( -0.803 1.885 1.488) 2.532 3.208 ( 1.202 1.096 2.832) 3.266 3.325 ( 4.343 -1.001 -1.641) 4.749 3.449 ( 1.603 -1.890 2.318) 3.394 3.633 ( -1.963 -1.051 3.510) 4.157 3.724 ( -2.750 0.730 0.590) 2.905 3.893 ( -2.081 -1.539 3.066) 4.012 4.019 ( 1.825 1.180 3.441) 4.069 4.175 ( 1.698 -5.535 -2.349) 6.248 4.270 ( -3.529 -1.706 3.129) 5.015 4.458 ( 3.732 1.402 -6.648) 7.752 4.580 ( -2.334 3.342 0.352) 4.091 4.655 ( 4.561 2.518 1.188) 5.343 4.749 ( 0.067 -0.227 2.769) 2.779 4.795 ( -0.139 3.395 0.666) 3.463 4.942 ( -0.763 0.498 -2.064) 2.256 5.163 ( -1.679 3.484 3.892) 5.487 5.525 ( -2.453 -1.285 -0.346) 2.791 5.644 ( 1.292 -2.650 -0.010) 2.949 5.829 ( -1.059 -2.678 -1.838) 3.416 5.839 ( 5.095 0.867 -4.116) 6.607 5.960 ( -0.555 -4.187 0.566) 4.261 6.154 ( -0.527 -0.024 -0.181) 0.557 6.255 ( 1.029 1.368 0.656) 1.833 6.486 ( -0.650 0.940 -0.628) 1.304 6.522 ( 1.619 1.823 -0.554) 2.500 6.681 ( -2.757 3.261 3.089) 5.270 6.811 ( 0.187 0.704 0.611) 0.951 7.379 ( -0.376 2.636 -0.202) 2.670 7.510 ( 2.441 -1.063 -2.773) 3.844 7.685 ( -0.645 -1.156 1.820) 2.250 7.755 ( 0.926 1.720 -3.755) 4.233 7.840 ( 0.714 -0.820 2.250) 2.499 7.899 ( 1.008 -0.238 -0.206) 1.056 7.903 ( 0.533 -0.009 -3.651) 3.690 8.045 ( -2.026 -3.673 3.985) 5.785 8.107 ( -1.817 0.727 3.676) 4.164 8.201 ( 2.454 -0.003 -0.498) 2.504 8.265 ( -0.199 -2.187 -0.211) 2.207 8.357 ( -1.491 1.077 -1.330) 2.269 8.966 ( -0.774 -2.598 -0.006) 2.711 9.070 ( 1.566 -1.307 2.000) 2.856 9.142 ( -0.216 3.195 -0.781) 3.297 9.199 ( 0.228 -1.580 -2.111) 2.646 11.879 ( -0.229 -0.348 0.003) 0.417 11.917 ( 0.331 -0.089 0.737) 0.812 11.957 ( 0.271 -0.752 0.349) 0.872 11.996 ( -0.590 0.568 -1.436) 1.653 15.282 ( 0.486 1.132 0.743) 1.438 15.354 ( 0.601 1.038 0.052) 1.200 15.462 ( -1.132 -0.646 2.377) 2.711 15.554 ( -0.915 -2.128 4.080) 4.691 15.751 ( 0.310 4.059 0.149) 4.073 15.885 ( -1.932 2.499 -0.838) 3.267 16.089 ( 1.032 -2.010 -3.340) 4.033 16.182 ( 3.248 -4.077 -3.986) 6.562 16.722 ( -0.587 -0.250 3.604) 3.661 16.874 ( -1.054 -1.793 0.688) 2.190 16.918 ( -0.959 2.810 2.767) 4.059 17.170 ( -0.274 -1.651 -0.646) 1.793 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.992 ( -1.611 -6.408 -1.136) 6.704 1.089 ( -0.848 4.649 1.270) 4.893 1.156 ( -5.002 -1.192 0.066) 5.142 1.268 ( -2.861 0.752 2.322) 3.761 1.372 ( 4.149 1.343 -1.011) 4.476 1.415 ( -3.847 -0.025 -0.257) 3.856 1.456 ( 0.253 -1.140 0.009) 1.168 1.551 ( 0.618 -4.908 0.131) 4.948 1.668 ( 1.281 3.780 -3.026) 5.009 1.789 ( -0.747 -0.318 -2.965) 3.074 1.839 ( -1.493 -1.511 3.326) 3.946 1.864 ( 2.940 -3.640 -5.889) 7.522 1.914 ( -1.475 -0.517 -1.376) 2.083 2.017 ( 5.562 0.377 -5.406) 7.766 2.129 ( 2.247 -0.702 0.506) 2.408 2.218 ( 0.874 -0.746 -3.918) 4.084 2.342 ( 4.064 -2.594 -0.255) 4.828 2.356 ( -0.992 -0.452 -1.250) 1.658 2.493 ( -5.907 1.558 -0.877) 6.172 2.649 ( -0.336 -1.037 -1.310) 1.704 2.661 ( 0.608 2.090 3.554) 4.167 2.799 ( 3.581 6.495 3.945) 8.401 2.853 ( -5.105 -5.720 0.234) 7.671 3.016 ( -6.093 3.590 8.040) 10.708 3.163 ( 3.302 -2.301 -3.720) 5.481 3.204 ( -0.023 1.987 1.917) 2.761 3.365 ( 3.072 0.150 -0.482) 3.113 3.500 ( -0.010 -2.011 0.752) 2.147 3.656 ( -1.644 -2.942 -0.985) 3.511 3.718 ( -0.198 -0.108 2.512) 2.522 3.883 ( -5.107 1.915 5.242) 7.565 4.020 ( 1.013 1.899 2.576) 3.357 4.223 ( 0.903 -0.783 -2.464) 2.739 4.300 ( 0.250 -0.724 2.018) 2.158 4.418 ( 2.476 1.108 -6.709) 7.237 4.517 ( -1.425 0.686 -1.809) 2.402 4.665 ( 2.698 2.099 2.617) 4.305 4.695 ( -1.203 3.061 -0.387) 3.311 4.827 ( 1.508 -1.697 2.315) 3.242 4.913 ( -1.620 1.210 -0.052) 2.022 5.139 ( -3.203 0.294 3.434) 4.705 5.523 ( -0.255 -0.292 -0.685) 0.787 5.668 ( 1.209 0.259 -1.266) 1.770 5.810 ( 0.596 1.222 -1.611) 2.108 5.890 ( 3.150 -3.595 -4.354) 6.466 6.044 ( 4.345 -3.446 -1.894) 5.860 6.126 ( -2.492 1.610 -0.349) 2.987 6.226 ( 1.226 1.769 -1.123) 2.428 6.493 ( -2.312 -1.109 2.686) 3.713 6.516 ( 0.680 -0.252 0.691) 1.002 6.634 ( -2.905 1.690 4.076) 5.283 6.797 ( -1.133 1.235 2.012) 2.619 7.348 ( 0.225 0.853 -0.314) 0.937 7.539 ( 3.061 -1.549 -3.403) 4.832 7.673 ( -1.576 1.458 0.706) 2.260 7.734 ( 2.213 0.566 -3.190) 3.924 7.876 ( -2.104 -0.022 2.515) 3.279 7.884 ( 1.494 -1.238 -1.807) 2.651 7.925 ( 2.364 -1.213 -2.309) 3.520 8.085 ( -1.897 -0.216 2.803) 3.392 8.096 ( -1.798 0.328 2.956) 3.475 8.202 ( 1.891 1.418 -1.315) 2.705 8.299 ( -0.889 -1.803 1.339) 2.416 8.334 ( -0.350 -0.257 -0.937) 1.033 8.996 ( -0.922 -1.941 0.656) 2.247 9.092 ( -0.181 2.018 -0.401) 2.065 9.110 ( 1.347 -0.509 0.414) 1.499 9.211 ( 0.752 -0.750 -1.658) 1.969 11.882 ( -0.183 -0.192 0.280) 0.385 11.927 ( 0.580 -0.273 0.423) 0.768 11.963 ( -1.201 0.147 -0.472) 1.299 11.984 ( 0.654 -0.332 -0.129) 0.745 15.280 ( 0.700 0.341 0.274) 0.826 15.348 ( 0.751 0.295 -1.033) 1.311 15.467 ( -1.864 -0.088 2.922) 3.467 15.576 ( -2.147 0.636 3.423) 4.090 15.708 ( 0.268 1.308 -0.749) 1.530 15.841 ( -0.950 0.895 0.194) 1.320 16.106 ( 1.423 -0.960 -2.038) 2.665 16.236 ( 4.135 -2.046 -6.164) 7.700 16.747 ( -0.730 -0.594 3.953) 4.063 16.834 ( -4.092 2.666 3.797) 6.186 16.939 ( 1.164 -1.333 -0.266) 1.790 17.173 ( 0.457 0.427 -1.564) 1.685 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.599 ( -12.557 0.000 8.709) 15.281 0.958 ( -13.036 0.000 11.861) 17.625 1.112 ( 0.966 -0.000 1.517) 1.798 1.270 ( 0.079 -0.000 -1.561) 1.563 1.320 ( -2.172 0.000 -0.148) 2.177 1.430 ( -2.245 0.000 -2.032) 3.028 1.512 ( -1.696 0.000 -1.758) 2.443 1.612 ( -4.194 0.000 -4.071) 5.845 1.650 ( 2.458 -0.000 -5.518) 6.041 1.788 ( 2.484 -0.000 -3.649) 4.414 1.878 ( -9.840 0.000 -5.315) 11.184 1.959 ( 1.003 -0.000 1.645) 1.927 1.964 ( -0.481 0.000 1.864) 1.925 2.018 ( 0.437 -0.000 -2.912) 2.945 2.026 ( 3.090 -0.000 -1.586) 3.473 2.177 ( 1.126 -0.000 2.778) 2.998 2.220 ( -3.481 0.000 -1.509) 3.794 2.437 ( 1.904 -0.000 -1.833) 2.642 2.529 ( -3.303 0.000 -2.544) 4.169 2.548 ( 0.863 -0.000 -8.944) 8.986 2.636 ( -1.208 0.000 3.563) 3.763 2.726 ( 4.230 -0.000 -8.365) 9.374 2.934 ( 6.145 -0.000 4.749) 7.766 3.135 ( -3.466 0.000 5.113) 6.177 3.197 ( 1.157 -0.000 1.316) 1.752 3.300 ( -2.469 0.000 6.100) 6.581 3.332 ( 2.392 -0.000 0.530) 2.450 3.383 ( 6.847 -0.000 -1.529) 7.015 3.640 ( -4.001 0.000 4.453) 5.986 3.785 ( -6.580 0.000 3.304) 7.363 3.795 ( 0.630 -0.000 1.020) 1.199 4.024 ( 0.777 -0.000 -2.035) 2.178 4.025 ( 2.872 -0.000 2.313) 3.688 4.237 ( -5.302 0.000 1.257) 5.448 4.508 ( 5.068 -0.000 -2.222) 5.534 4.571 ( 2.331 -0.000 5.294) 5.784 4.722 ( 5.317 -0.000 -2.618) 5.927 4.761 ( -2.282 0.000 5.312) 5.782 4.909 ( -0.952 0.000 -0.646) 1.150 4.916 ( 0.422 -0.000 -6.645) 6.659 5.338 ( 0.421 -0.000 1.248) 1.317 5.409 ( -6.077 0.000 1.015) 6.161 5.594 ( 1.939 -0.000 1.751) 2.613 5.780 ( -4.289 0.000 -1.383) 4.506 5.845 ( 2.869 -0.000 1.171) 3.099 5.895 ( 0.319 -0.000 -1.960) 1.986 6.176 ( -0.878 0.000 2.883) 3.014 6.219 ( 1.013 -0.000 3.567) 3.708 6.521 ( -0.321 0.000 -2.519) 2.539 6.645 ( 1.699 -0.000 0.065) 1.700 6.682 ( 2.599 -0.000 -5.740) 6.301 6.822 ( 0.088 -0.000 -0.578) 0.584 7.465 ( -2.423 0.000 0.492) 2.472 7.473 ( 0.398 -0.000 0.485) 0.628 7.626 ( 1.894 -0.000 0.873) 2.086 7.810 ( -0.665 0.000 -3.854) 3.911 7.857 ( 2.601 -0.000 -1.432) 2.969 7.891 ( -0.342 0.000 -1.016) 1.072 7.923 ( -0.263 0.000 4.234) 4.242 7.947 ( -0.708 0.000 0.932) 1.170 8.113 ( -0.570 0.000 3.834) 3.876 8.188 ( 2.313 -0.000 2.749) 3.592 8.213 ( -1.781 0.000 -1.241) 2.170 8.384 ( -1.205 0.000 -3.012) 3.244 8.908 ( -0.575 0.000 0.873) 1.045 9.049 ( 0.174 -0.000 2.079) 2.086 9.164 ( 0.261 -0.000 -1.998) 2.015 9.203 ( 0.141 -0.000 -1.671) 1.677 11.869 ( -0.331 0.000 -0.088) 0.342 11.919 ( 0.354 -0.000 1.039) 1.097 11.941 ( 0.128 -0.000 0.037) 0.133 12.006 ( -0.494 0.000 -1.813) 1.879 15.337 ( 0.860 -0.000 0.786) 1.164 15.393 ( 0.726 -0.000 -0.557) 0.915 15.449 ( -1.447 0.000 3.357) 3.656 15.465 ( 0.711 -0.000 5.731) 5.775 15.878 ( 1.235 -0.000 2.243) 2.560 15.971 ( 0.725 -0.000 -2.040) 2.165 16.001 ( -1.232 0.000 -3.323) 3.544 16.058 ( -1.978 0.000 -3.668) 4.168 16.749 ( 0.482 -0.000 2.760) 2.802 16.783 ( 0.337 -0.000 0.213) 0.399 17.053 ( -1.433 0.000 2.965) 3.293 17.075 ( -1.907 0.000 1.225) 2.267 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.660 ( -8.376 -12.361 3.524) 15.342 0.938 ( -15.182 -6.800 1.721) 16.724 1.178 ( 0.882 -3.266 5.320) 6.305 1.258 ( -3.177 0.215 2.343) 3.953 1.290 ( -4.538 -2.544 -3.504) 6.272 1.397 ( -3.970 -1.190 -0.874) 4.236 1.492 ( -2.465 0.829 -1.207) 2.867 1.530 ( -1.901 0.741 -1.836) 2.745 1.637 ( 1.306 -0.517 -5.152) 5.340 1.737 ( -9.120 2.286 -2.378) 9.698 1.818 ( 3.384 -1.715 -3.694) 5.295 1.908 ( 1.952 4.155 -0.792) 4.658 1.994 ( 2.227 3.486 -0.105) 4.138 2.032 ( 2.012 0.037 -2.494) 3.205 2.056 ( 2.067 -3.935 1.838) 4.810 2.204 ( -0.744 -0.564 -1.355) 1.645 2.222 ( 1.398 -2.648 2.923) 4.184 2.401 ( -1.765 2.067 -4.187) 4.992 2.490 ( -2.993 -0.792 -5.673) 6.463 2.562 ( 3.291 -4.355 -2.879) 6.171 2.638 ( -2.427 0.270 3.033) 3.894 2.740 ( 3.325 -1.979 -6.588) 7.640 2.990 ( 4.395 2.268 3.094) 5.834 3.113 ( -1.501 2.787 4.158) 5.226 3.213 ( 0.544 2.126 3.700) 4.302 3.256 ( -2.029 3.210 2.824) 4.732 3.348 ( 3.756 0.717 -0.483) 3.854 3.462 ( 4.815 -2.429 -0.556) 5.422 3.624 ( -4.578 -0.286 4.163) 6.194 3.724 ( -4.696 2.076 3.665) 6.308 3.854 ( -0.691 -3.606 2.425) 4.401 4.045 ( 0.752 -0.897 -0.386) 1.233 4.079 ( 1.751 -4.993 -1.390) 5.471 4.220 ( -3.487 -1.917 1.796) 4.366 4.505 ( 4.547 3.097 -3.670) 6.613 4.625 ( -0.478 1.450 4.798) 5.035 4.710 ( 0.370 1.513 0.212) 1.572 4.777 ( 1.615 0.745 1.523) 2.342 4.854 ( 0.985 3.102 -0.598) 3.309 4.920 ( 0.121 -1.143 -3.039) 3.249 5.240 ( -3.434 6.530 3.004) 7.966 5.461 ( -1.982 -5.122 0.047) 5.492 5.619 ( 0.478 -1.192 0.428) 1.353 5.751 ( -4.762 -2.598 -0.811) 5.485 5.856 ( 2.448 1.103 -1.799) 3.232 5.932 ( 3.287 -2.591 0.740) 4.250 6.164 ( -0.643 1.463 1.211) 2.005 6.274 ( 1.717 -1.421 3.249) 3.940 6.494 ( -0.359 1.540 -2.232) 2.736 6.591 ( 3.546 4.330 -2.887) 6.298 6.705 ( -0.816 -0.111 -0.233) 0.856 6.818 ( 0.456 -0.129 -0.334) 0.580 7.417 ( -1.265 2.732 0.196) 3.017 7.502 ( 0.878 -1.090 0.815) 1.620 7.667 ( 2.121 -1.853 0.570) 2.873 7.762 ( -0.329 1.710 -4.030) 4.390 7.866 ( 1.485 1.077 0.763) 1.987 7.879 ( 1.360 -0.572 -2.680) 3.059 7.922 ( -0.562 1.662 1.279) 2.171 7.993 ( -1.282 -3.673 3.944) 5.540 8.128 ( -1.364 0.495 4.370) 4.604 8.205 ( -0.043 -1.542 -1.451) 2.118 8.234 ( 1.541 -1.249 1.925) 2.764 8.347 ( -1.501 0.784 -3.036) 3.477 8.926 ( -0.461 -1.922 0.835) 2.146 9.073 ( 0.883 -1.122 2.107) 2.545 9.166 ( 0.243 -1.215 -1.741) 2.137 9.177 ( 0.386 1.858 -2.090) 2.823 11.871 ( -0.167 -0.424 0.127) 0.473 11.926 ( 0.510 0.215 0.796) 0.970 11.949 ( 0.032 -0.637 0.317) 0.712 11.989 ( -0.426 0.234 -1.931) 1.991 15.321 ( 0.576 2.462 1.126) 2.768 15.382 ( 0.613 1.437 -0.610) 1.677 15.466 ( -0.540 -0.469 4.068) 4.130 15.530 ( -0.253 -2.290 4.917) 5.430 15.835 ( -0.012 5.826 0.711) 5.869 15.898 ( -3.310 3.274 -1.495) 4.890 16.030 ( 0.731 -3.922 -3.237) 5.138 16.102 ( 2.082 -6.698 -3.858) 8.005 16.750 ( 1.129 1.160 2.585) 3.050 16.830 ( 0.630 -3.256 0.578) 3.366 16.984 ( -3.031 4.756 3.914) 6.865 17.124 ( -1.579 -3.390 1.364) 3.980 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.795 ( -7.948 -10.410 -1.883) 13.232 0.915 ( -12.497 -9.518 -5.682) 16.705 1.184 ( 0.509 1.237 -0.122) 1.343 1.284 ( -1.268 -0.888 4.973) 5.209 1.350 ( -4.436 -6.455 2.789) 8.314 1.400 ( -1.490 -1.537 2.808) 3.531 1.446 ( -0.888 0.395 -0.688) 1.191 1.521 ( -0.176 0.656 1.862) 1.982 1.657 ( 1.015 -3.194 -6.019) 6.890 1.689 ( -5.485 -7.378 0.386) 9.201 1.819 ( 2.756 3.945 -3.226) 5.793 1.866 ( 2.904 1.299 -2.224) 3.881 1.952 ( 2.579 3.930 0.150) 4.703 2.035 ( 2.824 0.041 -3.712) 4.665 2.130 ( 2.294 -1.927 1.511) 3.355 2.200 ( 1.424 -0.365 -3.363) 3.670 2.319 ( 3.413 -4.534 0.940) 5.753 2.333 ( -1.952 0.891 -2.627) 3.393 2.445 ( -4.198 -0.333 -2.903) 5.115 2.616 ( -2.102 -0.206 0.094) 2.114 2.662 ( 0.097 -5.470 0.684) 5.513 2.745 ( 0.394 0.326 -2.860) 2.905 2.966 ( 2.772 5.622 2.522) 6.756 3.075 ( -5.759 5.057 7.375) 10.636 3.142 ( -0.859 0.815 -0.495) 1.284 3.272 ( 2.951 1.531 2.079) 3.921 3.379 ( 4.113 -1.231 -3.265) 5.393 3.505 ( 2.707 0.699 1.198) 3.042 3.618 ( -2.902 -0.409 0.810) 3.041 3.710 ( -3.339 -2.060 6.039) 7.201 3.886 ( -2.444 0.234 2.324) 3.380 4.054 ( 0.226 0.165 0.197) 0.342 4.170 ( 0.802 -4.875 -2.691) 5.626 4.258 ( -0.844 -4.116 1.923) 4.621 4.449 ( 2.971 4.309 -5.414) 7.531 4.553 ( -2.336 5.451 2.594) 6.473 4.716 ( 1.665 1.062 -1.060) 2.241 4.747 ( 0.489 2.983 -1.455) 3.354 4.857 ( 2.264 0.852 5.439) 5.953 4.915 ( 0.192 0.160 -2.128) 2.142 5.145 ( -5.123 3.347 3.487) 7.043 5.514 ( 1.346 -2.285 -0.225) 2.661 5.644 ( -0.760 -2.073 -0.273) 2.225 5.763 ( -3.003 -3.178 -1.468) 4.612 5.855 ( 2.185 -1.064 -3.571) 4.320 6.020 ( 3.649 -3.580 1.846) 5.435 6.133 ( -0.703 2.087 -1.145) 2.482 6.292 ( 2.596 3.289 -0.036) 4.191 6.467 ( -1.107 -0.727 0.507) 1.418 6.555 ( 2.787 2.733 -0.930) 4.013 6.670 ( -2.347 2.708 2.746) 4.515 6.820 ( -0.078 0.847 0.730) 1.121 7.371 ( -0.187 2.042 -0.387) 2.087 7.532 ( 2.020 -0.878 -0.035) 2.203 7.689 ( 0.182 1.380 -0.647) 1.535 7.733 ( 2.089 -0.450 -3.585) 4.173 7.873 ( 0.541 0.341 -2.165) 2.258 7.879 ( -0.620 0.112 2.654) 2.728 7.913 ( 1.642 -0.921 -1.190) 2.227 8.055 ( -1.922 -2.956 3.681) 5.097 8.116 ( -2.455 1.663 3.941) 4.932 8.230 ( 2.270 -0.512 -2.158) 3.174 8.272 ( 0.638 -1.454 1.125) 1.946 8.313 ( -1.671 -0.224 -1.262) 2.106 8.958 ( -0.824 -2.066 0.993) 2.435 9.107 ( 0.234 -0.570 0.012) 0.617 9.129 ( 0.162 2.338 -0.897) 2.510 9.200 ( 2.824 -1.789 -0.928) 3.469 11.878 ( -0.137 -0.364 0.345) 0.520 11.933 ( 0.640 -0.021 0.514) 0.821 11.952 ( -0.807 0.050 -0.685) 1.060 11.980 ( 0.346 -0.506 -0.442) 0.755 15.302 ( 0.689 1.335 0.684) 1.651 15.363 ( 0.689 1.201 -0.602) 1.510 15.478 ( -1.020 0.690 3.715) 3.913 15.573 ( -1.900 -1.079 3.243) 3.911 15.747 ( -0.570 4.402 -0.335) 4.451 15.832 ( -2.983 0.436 -0.583) 3.070 16.076 ( 0.911 -2.736 -2.019) 3.520 16.202 ( 5.835 -3.891 -5.563) 8.952 16.766 ( 1.235 0.273 2.443) 2.751 16.859 ( -3.321 1.416 3.437) 4.985 16.935 ( -0.218 0.269 1.812) 1.845 17.159 ( -0.253 -1.582 0.059) 1.603 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.482 ( -14.442 0.000 12.604) 19.169 0.732 ( -19.043 0.000 -1.737) 19.122 1.110 ( -20.186 0.000 2.126) 20.298 1.226 ( 0.863 -0.000 4.899) 4.975 1.241 ( -1.282 0.000 -0.770) 1.496 1.360 ( -2.171 0.000 1.984) 2.941 1.460 ( -2.416 0.000 -1.392) 2.788 1.497 ( -2.975 0.000 -2.273) 3.744 1.616 ( 1.639 -0.000 -5.484) 5.723 1.696 ( -7.361 0.000 1.599) 7.532 1.834 ( 5.745 -0.000 -1.292) 5.889 1.989 ( 1.512 -0.000 0.966) 1.795 1.996 ( 2.576 -0.000 -3.114) 4.041 2.046 ( 5.039 -0.000 1.230) 5.187 2.078 ( 3.382 -0.000 -0.080) 3.382 2.205 ( 0.275 -0.000 0.823) 0.867 2.208 ( -1.242 0.000 2.728) 2.997 2.383 ( -0.747 0.000 -5.231) 5.284 2.411 ( -4.235 0.000 -5.386) 6.851 2.557 ( 6.132 -0.000 -3.204) 6.918 2.633 ( -2.969 0.000 2.081) 3.626 2.721 ( 6.201 -0.000 -8.487) 10.512 3.057 ( 3.432 -0.000 1.974) 3.959 3.154 ( -0.877 0.000 3.998) 4.093 3.242 ( 2.312 -0.000 0.608) 2.390 3.302 ( -5.107 0.000 5.667) 7.629 3.382 ( 3.627 -0.000 -1.333) 3.864 3.456 ( 3.098 -0.000 -1.268) 3.348 3.578 ( -8.579 0.000 3.054) 9.106 3.734 ( -5.784 0.000 6.159) 8.450 3.827 ( 2.595 -0.000 -0.089) 2.597 4.026 ( 2.160 -0.000 -2.313) 3.165 4.046 ( -1.915 0.000 -0.077) 1.917 4.195 ( -0.792 0.000 1.779) 1.947 4.556 ( 4.137 -0.000 -3.424) 5.371 4.669 ( 1.530 -0.000 6.319) 6.502 4.735 ( -1.344 0.000 3.956) 4.178 4.781 ( 0.149 -0.000 -5.481) 5.483 4.884 ( -0.409 0.000 -2.246) 2.283 4.901 ( 2.606 -0.000 2.326) 3.493 5.324 ( -5.038 0.000 1.361) 5.219 5.349 ( -1.710 0.000 2.091) 2.701 5.612 ( -0.153 0.000 -0.500) 0.523 5.697 ( -2.692 0.000 1.072) 2.898 5.889 ( 0.924 -0.000 -3.924) 4.031 5.927 ( 3.063 -0.000 3.230) 4.451 6.183 ( -1.040 0.000 1.964) 2.222 6.299 ( 3.017 -0.000 3.264) 4.445 6.497 ( 0.533 -0.000 -2.121) 2.187 6.657 ( 2.574 -0.000 -5.962) 6.494 6.664 ( 0.686 -0.000 -0.256) 0.732 6.816 ( -0.333 0.000 -0.037) 0.335 7.426 ( -2.069 0.000 -0.181) 2.077 7.515 ( 0.926 -0.000 5.013) 5.098 7.683 ( 3.999 -0.000 0.099) 4.000 7.748 ( -0.349 0.000 -4.252) 4.267 7.883 ( 2.007 -0.000 -1.478) 2.493 7.885 ( 0.560 -0.000 -0.268) 0.621 7.950 ( -0.811 0.000 1.323) 1.551 7.968 ( -0.509 0.000 4.259) 4.289 8.129 ( -0.413 0.000 -1.126) 1.199 8.189 ( -1.817 0.000 4.919) 5.244 8.258 ( 2.486 -0.000 2.083) 3.243 8.321 ( -1.448 0.000 -3.803) 4.069 8.912 ( -0.485 0.000 1.403) 1.485 9.080 ( 0.352 -0.000 2.096) 2.125 9.144 ( 0.247 -0.000 -2.074) 2.088 9.182 ( 0.285 -0.000 -2.874) 2.888 11.867 ( -0.144 0.000 0.340) 0.369 11.939 ( 0.560 -0.000 0.927) 1.084 11.943 ( -0.116 0.000 0.245) 0.271 11.975 ( -0.225 0.000 -2.103) 2.115 15.360 ( 0.681 -0.000 0.683) 0.964 15.390 ( 0.333 -0.000 -1.541) 1.576 15.466 ( -1.630 0.000 4.075) 4.389 15.574 ( 2.955 -0.000 7.602) 8.157 15.917 ( -1.234 0.000 2.072) 2.412 15.942 ( -4.411 0.000 2.031) 4.856 15.949 ( 1.415 -0.000 -3.331) 3.619 15.967 ( 0.309 -0.000 -8.656) 8.662 16.798 ( 1.233 -0.000 0.145) 1.242 16.803 ( 2.044 -0.000 2.300) 3.078 17.038 ( -3.596 0.000 0.894) 3.705 17.077 ( -1.821 0.000 7.778) 7.988 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.548 ( -12.036 -9.926 4.975) 16.375 0.598 ( -17.793 -8.454 -5.991) 20.590 1.057 ( -19.725 -13.944 10.819) 26.468 1.227 ( -0.947 -0.344 1.534) 1.835 1.296 ( 0.462 -2.286 6.132) 6.561 1.375 ( -0.805 -1.417 3.253) 3.639 1.440 ( -2.253 0.236 -0.683) 2.366 1.487 ( -1.656 -3.754 -0.706) 4.163 1.596 ( -1.009 0.978 -1.508) 2.061 1.634 ( -1.989 1.161 -0.478) 2.352 1.878 ( 5.958 0.448 -1.617) 6.190 1.941 ( 2.784 5.198 -1.630) 6.118 2.024 ( 1.701 -0.891 -3.179) 3.714 2.046 ( 1.914 4.523 1.152) 5.045 2.136 ( 4.233 -1.990 2.428) 5.270 2.198 ( 1.757 0.596 -1.779) 2.570 2.267 ( 0.302 -4.948 1.659) 5.228 2.319 ( -2.224 1.702 -4.496) 5.297 2.385 ( -0.242 -1.748 -4.871) 5.180 2.604 ( 2.029 -1.900 -2.009) 3.430 2.610 ( -1.352 0.516 0.754) 1.631 2.736 ( 4.319 -0.964 -6.605) 7.950 3.063 ( 1.421 3.215 1.503) 3.823 3.142 ( 0.224 2.054 1.131) 2.356 3.196 ( -8.334 8.906 7.395) 14.264 3.289 ( 2.691 -2.620 0.777) 3.835 3.391 ( 3.757 0.672 -5.228) 6.473 3.514 ( 1.357 -2.950 1.420) 3.544 3.560 ( -6.052 -4.275 2.704) 7.888 3.699 ( -5.704 1.624 5.874) 8.347 3.876 ( 1.623 -2.199 -0.629) 2.804 4.038 ( 1.149 -1.049 -1.693) 2.299 4.084 ( 1.337 -5.215 -0.826) 5.447 4.215 ( -0.544 -1.724 1.187) 2.162 4.522 ( 2.685 4.869 -4.378) 7.077 4.655 ( -3.140 6.717 5.415) 9.181 4.734 ( 2.650 1.641 -4.206) 5.235 4.756 ( 0.845 -1.326 -0.421) 1.628 4.888 ( -0.679 -1.670 -2.527) 3.105 4.934 ( 2.371 1.521 6.044) 6.668 5.203 ( -4.159 6.363 3.020) 8.180 5.442 ( -0.801 -6.910 0.095) 6.957 5.613 ( -0.663 -0.746 0.075) 1.001 5.708 ( 0.108 -1.331 1.506) 2.013 5.847 ( -0.447 1.161 -3.487) 3.702 6.000 ( 1.387 -3.138 2.443) 4.211 6.168 ( 0.638 2.178 0.369) 2.300 6.344 ( 2.011 0.132 2.288) 3.049 6.470 ( 0.377 1.868 -2.063) 2.808 6.617 ( 3.451 2.533 -2.979) 5.215 6.688 ( -0.897 -0.251 -0.091) 0.935 6.823 ( 0.615 -0.866 -0.246) 1.091 7.395 ( -0.844 1.627 -0.483) 1.896 7.552 ( 0.808 0.614 5.050) 5.151 7.711 ( 1.784 1.071 -1.563) 2.602 7.727 ( 2.472 -0.272 -2.130) 3.275 7.876 ( 1.308 0.438 -2.190) 2.588 7.895 ( 0.831 0.249 0.739) 1.140 7.921 ( -0.668 1.789 0.473) 1.968 8.015 ( -1.442 -2.745 3.586) 4.741 8.142 ( -1.451 -0.187 1.869) 2.374 8.194 ( -0.727 -0.827 1.958) 2.246 8.275 ( 0.708 0.281 -4.915) 4.974 8.302 ( 0.139 -0.170 3.459) 3.466 8.932 ( -0.606 -1.455 1.760) 2.363 9.102 ( 0.478 -0.480 0.504) 0.844 9.149 ( -0.335 1.029 -1.700) 2.015 9.179 ( 3.409 -3.648 -2.313) 5.502 11.873 ( 0.010 -0.456 0.510) 0.685 11.940 ( -0.354 0.168 0.033) 0.393 11.947 ( 0.393 0.143 -0.090) 0.428 11.971 ( 0.258 -0.607 -0.600) 0.892 15.340 ( 0.269 2.436 0.569) 2.516 15.379 ( 0.498 0.586 -1.294) 1.505 15.495 ( -1.410 -1.264 3.586) 4.055 15.589 ( -0.457 3.836 4.663) 6.056 15.803 ( -4.704 2.157 -0.933) 5.258 15.828 ( -1.201 5.868 -1.125) 6.095 16.016 ( 0.418 -4.439 -0.562) 4.494 16.127 ( 7.146 -9.927 -4.962) 13.200 16.798 ( 1.720 0.925 0.510) 2.019 16.857 ( 1.124 -1.833 1.498) 2.620 16.969 ( -3.948 3.716 3.497) 6.452 17.136 ( -0.040 -1.490 3.932) 4.205 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.356 ( -17.420 0.000 4.404) 17.968 0.417 ( -13.278 0.000 18.277) 22.592 0.777 ( -28.724 0.000 22.105) 36.245 1.220 ( -0.952 0.000 0.555) 1.101 1.319 ( -0.560 0.000 5.344) 5.373 1.395 ( 1.203 -0.000 5.719) 5.845 1.412 ( -1.718 0.000 -0.196) 1.729 1.439 ( -1.255 0.000 -2.082) 2.431 1.597 ( 1.549 -0.000 -1.956) 2.495 1.632 ( -3.364 0.000 2.872) 4.423 1.913 ( 3.309 -0.000 -1.094) 3.485 1.996 ( 3.164 -0.000 -3.824) 4.963 2.022 ( 1.179 -0.000 -1.117) 1.624 2.112 ( -0.748 0.000 0.931) 1.194 2.180 ( 2.680 -0.000 4.399) 5.151 2.208 ( 3.265 -0.000 -1.469) 3.580 2.236 ( 3.514 -0.000 -0.848) 3.614 2.286 ( -2.629 0.000 -4.848) 5.515 2.348 ( 3.917 -0.000 -5.361) 6.639 2.576 ( -2.231 0.000 -2.523) 3.367 2.625 ( 1.647 -0.000 0.427) 1.702 2.723 ( 5.678 -0.000 -10.399) 11.848 3.105 ( 0.997 -0.000 0.159) 1.010 3.168 ( -1.751 0.000 1.815) 2.522 3.268 ( 0.824 -0.000 -1.595) 1.796 3.287 ( -4.816 0.000 8.705) 9.949 3.380 ( 0.830 -0.000 -5.420) 5.483 3.456 ( -8.955 0.000 4.157) 9.873 3.509 ( 1.135 -0.000 5.505) 5.620 3.694 ( -3.760 0.000 1.016) 3.895 3.850 ( 1.372 -0.000 -3.612) 3.864 4.031 ( -1.626 0.000 3.910) 4.234 4.047 ( 3.111 -0.000 -1.693) 3.542 4.202 ( -0.574 0.000 0.163) 0.597 4.565 ( 2.522 -0.000 -6.359) 6.840 4.678 ( -3.038 0.000 -5.490) 6.274 4.766 ( 2.508 -0.000 4.383) 5.050 4.806 ( 4.904 -0.000 -0.643) 4.946 4.828 ( -2.489 0.000 -3.765) 4.513 5.016 ( 3.702 -0.000 9.204) 9.921 5.270 ( -2.881 0.000 0.839) 3.000 5.338 ( -2.485 0.000 3.321) 4.148 5.622 ( 1.950 -0.000 1.897) 2.721 5.727 ( 3.148 -0.000 2.460) 3.995 5.818 ( -3.482 0.000 -4.163) 5.428 5.995 ( 0.720 -0.000 1.999) 2.124 6.197 ( 0.272 -0.000 1.608) 1.631 6.373 ( 1.349 -0.000 2.096) 2.493 6.488 ( 0.944 -0.000 -1.845) 2.072 6.639 ( 3.099 -0.000 -5.535) 6.343 6.665 ( -0.033 0.000 -0.632) 0.633 6.811 ( -0.490 0.000 0.450) 0.665 7.398 ( -0.646 0.000 -0.427) 0.774 7.622 ( 2.920 -0.000 6.612) 7.228 7.719 ( 1.225 -0.000 -1.777) 2.158 7.758 ( 3.675 -0.000 1.016) 3.813 7.881 ( 0.548 -0.000 -3.140) 3.187 7.900 ( 1.216 -0.000 -0.117) 1.222 7.947 ( -1.268 0.000 1.252) 1.782 7.984 ( -1.975 0.000 1.692) 2.601 8.111 ( 0.986 -0.000 -1.008) 1.410 8.244 ( -0.307 0.000 -5.923) 5.931 8.255 ( 0.484 -0.000 5.394) 5.415 8.328 ( 1.455 -0.000 3.188) 3.504 8.923 ( -0.637 0.000 2.246) 2.334 9.100 ( -0.480 0.000 1.273) 1.360 9.125 ( 0.002 -0.000 -3.359) 3.359 9.143 ( -0.410 0.000 -1.679) 1.729 11.871 ( -0.123 0.000 0.811) 0.820 11.935 ( -0.298 0.000 -0.638) 0.704 11.955 ( 0.090 -0.000 0.653) 0.659 11.966 ( 0.756 -0.000 -0.082) 0.760 15.373 ( 0.259 0.000 -1.979) 1.995 15.373 ( 0.164 0.000 0.028) 0.167 15.480 ( -1.966 0.000 3.658) 4.153 15.684 ( 1.383 -0.000 -1.396) 1.965 15.789 ( -7.386 0.000 -7.818) 10.755 15.876 ( -0.463 0.000 -3.453) 3.484 15.983 ( 1.067 -0.000 2.423) 2.647 16.003 ( 5.416 -0.000 7.665) 9.386 16.829 ( 2.203 -0.000 0.089) 2.205 16.850 ( 1.496 -0.000 0.181) 1.507 16.979 ( -4.050 0.000 0.512) 4.083 17.173 ( 0.879 -0.000 1.682) 1.898 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.697 ( -5.170 0.000 15.025) 15.890 0.851 ( -7.071 0.000 16.496) 17.947 1.173 ( -1.375 0.000 -3.762) 4.005 1.334 ( 0.952 -0.000 -3.943) 4.057 1.378 ( -5.842 0.000 11.701) 13.079 1.426 ( -3.989 0.000 7.150) 8.187 1.443 ( 0.079 -0.000 2.539) 2.540 1.624 ( 3.394 -0.000 -2.241) 4.067 1.649 ( -0.485 0.000 0.874) 1.000 1.743 ( 0.671 -0.000 14.646) 14.661 1.838 ( 4.681 -0.000 -3.632) 5.925 1.927 ( 4.092 -0.000 -6.581) 7.749 1.964 ( 2.495 -0.000 -2.317) 3.405 2.138 ( -0.161 0.000 3.033) 3.038 2.170 ( -3.602 0.000 -0.616) 3.655 2.175 ( -3.138 0.000 3.427) 4.646 2.261 ( 0.356 -0.000 -0.398) 0.534 2.331 ( 5.902 -0.000 -3.816) 7.028 2.394 ( 4.449 -0.000 2.885) 5.302 2.475 ( -2.286 0.000 -6.414) 6.809 2.552 ( -0.597 0.000 3.844) 3.890 2.582 ( 3.602 -0.000 -3.337) 4.911 3.022 ( -3.984 0.000 -2.834) 4.889 3.106 ( 5.280 -0.000 -6.132) 8.092 3.234 ( -0.079 0.000 3.213) 3.214 3.395 ( -5.946 0.000 1.828) 6.221 3.429 ( 0.310 -0.000 -3.262) 3.276 3.436 ( -3.052 0.000 3.127) 4.370 3.630 ( -1.979 0.000 4.153) 4.601 3.744 ( 3.503 -0.000 -3.159) 4.717 3.786 ( -0.433 0.000 8.813) 8.824 4.065 ( 3.579 -0.000 -0.506) 3.615 4.077 ( -4.077 0.000 -0.511) 4.108 4.259 ( 0.676 -0.000 -11.050) 11.070 4.261 ( -2.011 0.000 5.237) 5.610 4.478 ( -0.125 0.000 -5.990) 5.991 4.587 ( -2.664 0.000 -5.329) 5.958 4.647 ( 2.525 -0.000 -6.608) 7.074 4.938 ( 0.833 -0.000 5.391) 5.455 5.164 ( -1.225 0.000 -2.527) 2.808 5.299 ( 2.704 -0.000 3.159) 4.158 5.387 ( -4.161 0.000 -0.160) 4.164 5.674 ( 0.365 -0.000 0.554) 0.664 5.681 ( -1.304 0.000 0.315) 1.341 5.894 ( 4.726 -0.000 3.554) 5.913 5.999 ( -4.932 0.000 0.272) 4.939 6.254 ( 0.558 -0.000 0.693) 0.890 6.311 ( 0.064 -0.000 -4.315) 4.315 6.512 ( 0.457 -0.000 1.697) 1.757 6.548 ( 2.893 -0.000 -2.889) 4.088 6.659 ( -1.964 0.000 1.269) 2.338 6.791 ( 1.904 -0.000 -2.442) 3.096 7.432 ( 1.010 -0.000 3.082) 3.243 7.660 ( -1.268 0.000 -4.926) 5.087 7.751 ( -3.552 0.000 1.690) 3.933 7.763 ( 2.538 -0.000 1.004) 2.730 7.794 ( -1.492 0.000 0.462) 1.562 7.893 ( 1.557 -0.000 -1.824) 2.399 7.942 ( -2.057 0.000 -0.691) 2.170 7.978 ( 1.583 -0.000 -0.276) 1.607 8.077 ( -1.241 0.000 -1.754) 2.148 8.105 ( -0.515 0.000 -0.067) 0.519 8.299 ( -3.299 0.000 4.128) 5.284 8.406 ( 2.070 -0.000 -0.329) 2.096 9.006 ( -1.958 0.000 3.019) 3.598 9.092 ( 2.857 -0.000 -1.465) 3.210 9.100 ( -2.591 0.000 0.971) 2.767 9.158 ( 2.320 -0.000 -0.806) 2.456 11.903 ( -0.265 0.000 0.757) 0.802 11.918 ( 0.563 -0.000 -0.432) 0.710 11.968 ( -1.428 0.000 0.990) 1.738 12.000 ( 1.433 -0.000 0.065) 1.434 15.325 ( 0.770 -0.000 -0.728) 1.060 15.345 ( -1.102 0.000 -1.092) 1.551 15.521 ( -3.829 0.000 0.669) 3.886 15.527 ( -2.132 0.000 1.348) 2.523 15.731 ( 1.731 -0.000 0.481) 1.797 15.770 ( 0.409 -0.000 -2.283) 2.320 16.081 ( 0.146 -0.000 2.153) 2.158 16.155 ( 2.613 -0.000 -1.519) 3.023 16.867 ( -2.159 0.000 0.400) 2.196 16.877 ( 1.364 -0.000 0.284) 1.394 16.921 ( -4.014 0.000 0.212) 4.019 16.922 ( -1.459 0.000 -0.096) 1.462 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.711 ( -4.785 0.167 15.882) 16.588 0.980 ( -0.726 -6.921 10.873) 12.909 1.157 ( 0.709 -2.095 -4.028) 4.595 1.329 ( 1.148 -0.545 -3.733) 3.943 1.380 ( -1.376 2.290 5.545) 6.155 1.416 ( -4.967 -1.958 5.100) 7.384 1.522 ( -0.968 -3.800 4.207) 5.751 1.602 ( -0.334 4.438 -2.614) 5.162 1.662 ( 2.431 -2.353 -2.776) 4.376 1.791 ( 2.108 3.119 5.512) 6.675 1.857 ( 4.193 1.204 -1.262) 4.542 1.917 ( 2.469 0.288 -2.014) 3.199 1.986 ( 1.464 0.134 -0.225) 1.488 2.075 ( -1.165 3.775 -0.764) 4.024 2.136 ( -3.270 3.331 5.384) 7.126 2.204 ( -0.572 -2.063 0.384) 2.175 2.291 ( 0.997 -3.541 -0.957) 3.801 2.334 ( -1.637 -0.171 -3.379) 3.758 2.417 ( 5.133 1.400 -2.121) 5.728 2.455 ( 1.507 -1.562 -2.915) 3.634 2.596 ( 0.192 -3.046 5.156) 5.992 2.660 ( 4.067 -5.059 -0.780) 6.537 2.972 ( -4.465 -0.936 -3.185) 5.564 3.070 ( 3.491 4.860 -1.800) 6.249 3.240 ( -1.167 1.356 2.136) 2.786 3.344 ( -3.561 2.526 2.796) 5.184 3.384 ( -1.824 -0.344 -0.825) 2.031 3.450 ( -3.058 -1.381 -1.979) 3.896 3.668 ( -0.262 -2.446 4.814) 5.406 3.769 ( 2.714 0.113 -2.857) 3.942 3.865 ( 0.431 -3.150 7.915) 8.530 4.028 ( -3.370 0.067 -0.561) 3.417 4.084 ( -0.167 -0.579 -0.635) 0.875 4.230 ( 2.528 -0.926 -7.672) 8.131 4.287 ( 1.115 -1.513 2.311) 2.979 4.450 ( 0.894 -0.384 -4.866) 4.963 4.562 ( -1.199 -2.385 -3.199) 4.166 4.623 ( 2.221 1.193 -4.757) 5.384 4.955 ( -0.219 2.268 5.215) 5.691 5.100 ( -2.104 3.535 -2.965) 5.071 5.277 ( -2.494 3.936 2.936) 5.508 5.408 ( 2.022 -3.032 -0.659) 3.704 5.671 ( -0.762 0.417 0.970) 1.302 5.677 ( -0.051 -0.087 0.526) 0.536 5.916 ( 0.166 1.772 1.676) 2.445 6.000 ( -0.522 -2.458 -0.315) 2.533 6.212 ( 0.112 4.590 0.278) 4.599 6.283 ( -0.146 1.127 -2.589) 2.828 6.512 ( -0.637 -0.178 2.118) 2.219 6.585 ( 2.025 -0.908 -2.677) 3.477 6.674 ( -1.483 -3.567 1.357) 4.094 6.796 ( 1.233 -0.253 -1.823) 2.215 7.434 ( 0.619 2.952 3.161) 4.369 7.571 ( -1.099 4.329 -5.345) 6.966 7.725 ( -3.694 0.724 3.560) 5.181 7.750 ( -0.067 2.414 0.796) 2.542 7.807 ( 1.170 -0.153 -2.241) 2.533 7.894 ( 1.225 0.272 -2.181) 2.516 7.929 ( -0.515 -1.093 1.220) 1.717 8.011 ( 1.863 -1.813 -1.580) 3.042 8.081 ( -2.325 -2.485 0.828) 3.503 8.126 ( -0.678 -2.638 0.336) 2.744 8.295 ( -1.899 0.058 3.543) 4.020 8.415 ( 1.391 0.625 -0.767) 1.706 9.012 ( -2.071 -1.096 2.255) 3.252 9.072 ( -0.888 0.553 0.409) 1.123 9.131 ( 1.162 -1.679 -1.554) 2.566 9.161 ( 1.791 1.229 -0.789) 2.311 11.902 ( -0.274 0.226 0.526) 0.635 11.922 ( 0.480 -0.134 -0.415) 0.648 11.961 ( -1.780 -0.191 0.855) 1.984 12.008 ( 1.243 0.350 -0.051) 1.292 15.304 ( -0.351 1.912 -0.118) 1.947 15.330 ( 0.379 0.611 -1.134) 1.343 15.520 ( -2.370 -2.312 2.210) 3.981 15.537 ( -3.215 -2.253 1.323) 4.142 15.733 ( 0.802 1.959 -0.678) 2.223 15.782 ( 3.478 -1.432 -0.858) 3.858 16.094 ( 0.156 -0.211 0.634) 0.686 16.152 ( 1.409 1.016 -2.584) 3.113 16.832 ( -4.665 -0.507 2.691) 5.410 16.893 ( -2.044 -0.656 0.108) 2.150 16.901 ( -0.531 0.059 0.313) 0.619 16.971 ( 4.592 -3.189 -0.339) 5.601 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.821 ( -2.077 -7.492 9.643) 12.386 1.106 ( 1.940 -3.792 1.761) 4.609 1.219 ( 3.670 -4.296 -0.814) 5.709 1.314 ( 0.314 2.002 -1.271) 2.392 1.353 ( -1.144 2.361 2.685) 3.754 1.454 ( -2.473 -2.943 2.762) 4.733 1.474 ( -1.466 7.061 -3.208) 7.892 1.543 ( 1.187 2.502 -0.427) 2.802 1.709 ( 1.112 -1.883 -1.308) 2.548 1.775 ( 0.404 1.844 0.748) 2.030 1.839 ( 3.138 3.453 -0.765) 4.728 1.896 ( -1.205 3.718 -3.014) 4.935 1.970 ( -0.193 1.291 -0.876) 1.572 2.033 ( 2.538 -0.622 -2.711) 3.765 2.100 ( -0.223 3.443 4.489) 5.662 2.231 ( 3.922 1.313 1.670) 4.461 2.300 ( -5.452 -3.108 -2.366) 6.707 2.362 ( 0.578 -3.569 -1.926) 4.096 2.439 ( 5.215 0.631 0.073) 5.253 2.490 ( 1.906 -2.996 -1.588) 3.890 2.688 ( -2.191 -5.207 3.642) 6.722 2.763 ( 5.082 -2.857 1.670) 6.065 2.916 ( -5.539 1.315 -2.707) 6.304 3.063 ( 4.019 -1.332 -0.207) 4.239 3.205 ( -2.939 2.096 2.792) 4.564 3.307 ( -4.542 1.968 6.457) 8.136 3.345 ( -0.281 2.673 -4.514) 5.254 3.453 ( -3.259 -4.414 0.229) 5.492 3.706 ( -1.790 0.463 0.864) 2.041 3.732 ( 0.530 2.158 -2.294) 3.194 3.959 ( -0.576 -2.534 7.578) 8.012 4.024 ( -4.199 -3.728 -1.154) 5.732 4.098 ( 1.526 -0.109 1.320) 2.021 4.247 ( 4.426 -2.339 -6.289) 8.038 4.331 ( 3.361 -0.137 1.979) 3.903 4.455 ( 1.157 -1.253 -2.946) 3.404 4.595 ( 0.282 -3.817 -2.747) 4.711 4.618 ( 2.575 -0.941 -1.578) 3.163 4.922 ( -1.998 3.814 4.301) 6.086 5.007 ( -1.139 4.071 -1.945) 4.653 5.214 ( -4.524 1.707 2.537) 5.461 5.469 ( 4.502 -1.322 -0.542) 4.723 5.653 ( -1.105 0.685 -0.037) 1.300 5.699 ( 1.124 -1.296 -0.176) 1.725 5.900 ( -1.233 -0.882 -0.956) 1.792 5.995 ( 1.703 3.438 -3.427) 5.144 6.164 ( -0.152 1.849 2.494) 3.108 6.241 ( 0.088 2.352 -1.940) 3.050 6.534 ( -1.716 -1.937 2.473) 3.579 6.577 ( -0.851 0.529 -0.274) 1.039 6.735 ( -0.603 -2.375 2.441) 3.459 6.795 ( -0.040 -0.315 -0.841) 0.899 7.395 ( -0.188 3.540 1.703) 3.933 7.478 ( 0.792 2.902 -5.160) 5.973 7.693 ( -0.862 2.388 0.587) 2.606 7.736 ( -1.047 0.198 3.198) 3.371 7.803 ( 2.075 0.105 -2.484) 3.238 7.880 ( 0.623 -0.060 -3.234) 3.294 7.946 ( -1.760 -0.498 0.734) 1.971 8.054 ( 2.841 -1.803 -0.382) 3.386 8.119 ( -2.235 -3.217 2.795) 4.812 8.157 ( -1.281 -1.789 0.840) 2.355 8.305 ( -0.979 -0.560 1.726) 2.062 8.398 ( 0.744 2.014 -1.061) 2.395 9.029 ( -1.568 -1.827 1.117) 2.654 9.061 ( -1.572 -0.017 0.171) 1.581 9.135 ( 1.528 2.054 0.209) 2.568 9.162 ( 1.466 -0.969 -2.062) 2.709 11.899 ( -0.344 0.167 0.436) 0.580 11.925 ( 0.491 -0.071 -0.574) 0.759 11.952 ( -1.749 -0.077 0.591) 1.847 12.011 ( 0.946 0.476 -0.053) 1.061 15.281 ( -0.410 0.582 0.201) 0.740 15.319 ( 1.005 0.702 -0.821) 1.476 15.543 ( -1.893 -0.653 2.534) 3.230 15.564 ( -3.517 -3.512 2.444) 5.539 15.701 ( 0.455 1.996 -0.600) 2.134 15.836 ( 3.866 -1.325 -0.354) 4.102 16.095 ( 1.081 0.110 -1.782) 2.087 16.124 ( 0.911 1.484 -3.417) 3.835 16.830 ( -4.545 -1.628 3.665) 6.061 16.886 ( -0.458 0.854 2.377) 2.567 16.910 ( -0.548 -1.664 -0.483) 1.817 17.055 ( 4.514 -2.767 -1.678) 5.554 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.961 ( -1.066 -5.505 2.289) 6.056 1.139 ( -6.247 3.652 1.168) 7.330 1.233 ( 2.077 2.412 2.263) 3.905 1.299 ( 1.374 3.702 -0.985) 4.070 1.331 ( 3.486 -2.593 -0.927) 4.443 1.379 ( -0.170 1.177 -2.214) 2.514 1.484 ( 2.173 -2.070 -5.688) 6.431 1.512 ( 0.622 1.606 2.630) 3.144 1.694 ( 1.472 3.511 -2.545) 4.579 1.745 ( -1.025 2.707 0.754) 2.991 1.794 ( 0.015 4.236 -3.006) 5.195 1.851 ( 3.329 -1.946 0.210) 3.861 1.938 ( -1.662 0.738 -0.216) 1.831 2.058 ( -0.219 2.192 3.669) 4.279 2.087 ( 3.711 -0.845 -2.552) 4.582 2.234 ( 5.004 3.440 0.836) 6.129 2.310 ( -0.702 -1.131 -2.601) 2.921 2.355 ( -5.441 -1.112 -1.107) 5.663 2.480 ( 5.369 0.561 1.111) 5.512 2.574 ( 0.508 -4.701 0.363) 4.743 2.728 ( -2.375 -0.275 1.086) 2.626 2.827 ( -6.046 0.907 -0.483) 6.133 2.876 ( 5.323 -3.951 2.177) 6.977 3.102 ( 2.510 1.901 -2.874) 4.263 3.165 ( -4.942 0.043 2.938) 5.750 3.265 ( -3.169 1.040 6.029) 6.890 3.308 ( -1.953 -1.107 -2.008) 3.011 3.499 ( 0.447 -1.919 -0.741) 2.105 3.668 ( -1.228 1.374 1.030) 2.111 3.714 ( -0.745 -1.200 -0.547) 1.514 3.999 ( -4.472 -0.623 5.048) 6.772 4.040 ( -2.154 -1.970 -1.236) 3.170 4.136 ( 3.328 -0.799 1.578) 3.768 4.272 ( 5.135 -0.611 -6.720) 8.479 4.385 ( 0.775 -0.250 3.963) 4.046 4.464 ( 0.135 -1.690 -0.881) 1.910 4.623 ( -0.172 -0.534 -1.450) 1.554 4.676 ( 3.350 -3.063 -0.306) 4.550 4.872 ( -2.658 1.448 0.585) 3.083 4.950 ( 0.747 1.886 0.795) 2.179 5.181 ( -5.381 -0.501 3.672) 6.534 5.514 ( 4.700 0.135 -1.279) 4.873 5.638 ( 0.295 0.027 -1.212) 1.248 5.720 ( -0.548 -1.438 -2.091) 2.596 5.905 ( 1.538 6.154 -2.831) 6.946 5.923 ( 1.051 -3.430 -3.082) 4.729 6.161 ( 0.457 0.553 1.013) 1.241 6.202 ( 0.803 1.406 -1.296) 2.074 6.559 ( -2.330 -1.002 2.842) 3.809 6.565 ( -1.120 0.180 1.453) 1.843 6.740 ( -2.668 1.516 4.361) 5.333 6.812 ( -0.274 -1.684 0.241) 1.723 7.353 ( -0.223 1.951 0.074) 1.965 7.445 ( 2.284 -0.570 -4.663) 5.224 7.658 ( 0.084 1.667 0.223) 1.684 7.741 ( 0.274 0.910 1.882) 2.109 7.814 ( 2.405 -0.615 -1.882) 3.115 7.877 ( 1.310 -0.808 -3.297) 3.638 7.930 ( -3.290 -0.102 0.996) 3.439 8.099 ( 1.544 -1.367 0.207) 2.072 8.159 ( -1.731 -0.961 2.844) 3.465 8.178 ( -0.827 -1.925 1.279) 2.454 8.306 ( -0.745 -0.150 0.035) 0.761 8.359 ( 0.568 2.747 -0.929) 2.955 9.046 ( -1.517 0.182 0.314) 1.560 9.052 ( -0.503 -1.327 0.559) 1.526 9.114 ( -0.035 1.538 0.607) 1.654 9.183 ( 2.541 -0.861 -2.196) 3.467 11.896 ( -0.422 0.066 0.439) 0.612 11.925 ( 0.213 0.049 -0.664) 0.699 11.944 ( -0.816 -0.045 0.398) 0.909 12.009 ( 0.498 0.562 0.047) 0.752 15.275 ( -0.373 -0.191 -0.480) 0.637 15.323 ( 1.218 -0.329 0.014) 1.261 15.548 ( -1.851 -0.386 2.690) 3.288 15.598 ( -2.972 -2.172 2.923) 4.700 15.679 ( 0.262 0.619 -0.334) 0.751 15.871 ( 1.361 0.299 0.778) 1.596 16.085 ( 1.609 0.855 -5.706) 5.990 16.098 ( 2.424 0.429 -2.025) 3.188 16.837 ( -2.251 -0.403 3.000) 3.772 16.888 ( -2.108 -0.504 3.049) 3.741 16.934 ( -0.409 -1.645 0.749) 1.853 17.108 ( 3.499 -1.050 -2.803) 4.604 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.923 ( -5.453 10.126 3.880) 12.138 0.976 ( -6.525 6.263 4.621) 10.157 1.216 ( 0.808 2.310 1.149) 2.704 1.322 ( 0.416 -3.893 -0.486) 3.946 1.359 ( -1.588 -1.113 -0.784) 2.092 1.423 ( 7.102 -2.774 -3.135) 8.244 1.501 ( 3.302 0.750 -1.237) 3.605 1.526 ( 0.104 -2.757 -2.392) 3.651 1.638 ( 2.265 1.365 -4.115) 4.892 1.692 ( -1.271 4.088 3.469) 5.510 1.752 ( 1.557 0.698 -1.492) 2.266 1.887 ( -0.195 0.138 -0.904) 0.935 1.962 ( 0.303 -3.487 2.827) 4.499 2.032 ( 1.090 3.390 4.273) 5.562 2.120 ( 2.847 -1.396 -3.035) 4.389 2.214 ( 0.144 4.343 0.620) 4.390 2.272 ( 0.921 0.466 -2.320) 2.539 2.345 ( -0.469 -0.268 -0.393) 0.668 2.492 ( -0.736 3.106 1.381) 3.478 2.599 ( -2.054 0.676 1.593) 2.686 2.693 ( -2.748 0.706 -1.437) 3.181 2.770 ( -1.548 2.999 1.848) 3.848 2.992 ( 3.167 -2.590 2.363) 4.724 3.041 ( 1.235 1.519 -6.703) 6.983 3.169 ( -6.096 -3.264 7.701) 10.350 3.259 ( 0.612 0.264 -3.063) 3.135 3.333 ( -1.134 -2.681 2.412) 3.780 3.513 ( 2.061 -0.264 -1.623) 2.637 3.655 ( -0.473 0.570 2.680) 2.780 3.761 ( 0.982 -3.895 -1.478) 4.280 3.975 ( -5.889 1.568 4.719) 7.708 4.016 ( -1.738 1.231 -1.963) 2.896 4.181 ( 3.604 -0.324 0.055) 3.619 4.293 ( 2.558 -1.466 -3.617) 4.666 4.350 ( -1.913 4.723 0.626) 5.134 4.514 ( 0.172 -3.541 0.219) 3.552 4.601 ( -1.650 0.614 -1.153) 2.104 4.754 ( 3.110 -2.934 1.284) 4.464 4.829 ( -2.096 0.571 -3.669) 4.264 4.978 ( 2.300 -2.054 2.217) 3.798 5.172 ( -5.650 -1.339 4.893) 7.593 5.524 ( 3.432 1.769 -2.689) 4.706 5.642 ( 0.849 0.294 -1.240) 1.531 5.702 ( -2.802 -0.684 -1.979) 3.498 5.833 ( 2.980 3.272 -1.798) 4.777 5.986 ( 2.693 -4.821 -3.425) 6.498 6.156 ( -0.160 1.276 1.200) 1.759 6.209 ( 1.588 -2.121 -1.579) 3.084 6.554 ( -1.894 1.387 2.839) 3.684 6.564 ( -0.395 0.228 1.644) 1.706 6.722 ( -2.507 0.603 3.780) 4.576 6.828 ( -0.510 -0.317 0.552) 0.816 7.336 ( 0.041 -0.117 -0.436) 0.454 7.474 ( 2.690 -3.462 -4.491) 6.277 7.651 ( 1.176 0.169 0.732) 1.395 7.734 ( 0.175 0.940 0.852) 1.281 7.835 ( 2.074 -0.637 -1.683) 2.746 7.879 ( 0.844 -0.126 -2.319) 2.471 7.917 ( -2.254 -0.563 1.119) 2.579 8.126 ( -0.234 -1.466 -0.410) 1.540 8.151 ( -2.017 1.513 2.289) 3.405 8.198 ( -0.673 -0.103 0.917) 1.142 8.308 ( 0.564 2.129 -0.584) 2.279 8.324 ( 0.633 -0.673 0.560) 1.081 9.034 ( -1.226 0.869 2.675) 3.068 9.062 ( 0.152 -0.043 -1.013) 1.025 9.103 ( -0.110 -0.432 -0.255) 0.513 9.201 ( 2.453 -0.131 -2.402) 3.436 11.894 ( -0.523 -0.009 0.509) 0.729 11.921 ( 0.025 0.101 -0.439) 0.451 11.946 ( 0.491 -0.212 0.237) 0.585 12.002 ( -0.033 0.694 0.214) 0.727 15.275 ( -0.343 -0.889 -0.863) 1.286 15.343 ( 0.880 -0.813 -0.159) 1.209 15.557 ( -1.862 -0.750 2.652) 3.325 15.608 ( -1.475 0.148 1.386) 2.029 15.688 ( -0.627 -1.828 0.935) 2.147 15.855 ( -1.902 2.013 1.334) 3.075 16.062 ( 2.112 0.424 -3.772) 4.344 16.106 ( 4.383 0.321 -4.123) 6.026 16.837 ( -0.359 0.858 2.273) 2.456 16.898 ( -1.839 -1.023 2.086) 2.963 16.957 ( -2.123 -1.438 1.885) 3.182 17.116 ( 1.814 0.466 -3.795) 4.232 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.743 ( -7.623 8.918 10.173) 15.528 0.871 ( -5.121 5.678 12.343) 14.519 1.209 ( 0.897 0.448 0.041) 1.004 1.334 ( -2.913 -0.126 0.166) 2.920 1.371 ( -0.511 -1.424 -1.281) 1.982 1.457 ( 1.808 2.382 1.213) 3.227 1.544 ( 1.658 -0.482 -1.976) 2.624 1.558 ( -1.726 -4.106 5.728) 7.256 1.631 ( 0.296 1.961 0.418) 2.027 1.688 ( 5.464 -3.187 -3.989) 7.478 1.738 ( 1.323 3.737 0.071) 3.964 1.877 ( 0.153 -0.136 0.691) 0.720 1.990 ( -0.231 0.802 2.647) 2.775 2.072 ( 2.569 -2.584 2.674) 4.520 2.112 ( -4.773 0.466 -2.220) 5.285 2.184 ( 5.314 -0.906 -1.208) 5.525 2.281 ( 2.562 1.171 0.932) 2.967 2.332 ( 1.387 1.916 -2.152) 3.198 2.405 ( -3.761 4.735 2.384) 6.500 2.560 ( -1.985 2.767 1.653) 3.785 2.637 ( -2.028 2.205 -2.981) 4.227 2.714 ( -0.289 4.801 1.425) 5.016 3.002 ( 0.876 -2.418 -6.251) 6.759 3.066 ( 0.698 -1.993 -0.251) 2.127 3.229 ( -2.725 -2.300 4.338) 5.616 3.262 ( -0.595 -3.182 1.043) 3.401 3.366 ( 1.463 -0.602 0.337) 1.617 3.536 ( 1.463 -1.467 -1.773) 2.727 3.653 ( -1.429 2.175 4.020) 4.789 3.798 ( 1.513 -1.313 -5.334) 5.698 3.895 ( -6.910 5.521 7.344) 11.497 3.988 ( 1.871 0.002 -2.230) 2.911 4.212 ( 2.478 0.137 -0.296) 2.499 4.235 ( -4.530 4.959 2.530) 7.177 4.322 ( 1.544 -2.310 -5.756) 6.392 4.551 ( -0.007 -1.021 -4.833) 4.940 4.586 ( -0.390 -2.134 -1.002) 2.389 4.769 ( -2.306 1.318 -5.855) 6.429 4.831 ( 1.611 -2.554 2.862) 4.161 5.056 ( 2.631 -3.488 1.438) 4.600 5.191 ( -3.800 -2.790 4.886) 6.789 5.483 ( 0.172 2.819 -2.603) 3.841 5.627 ( 0.606 0.349 -0.217) 0.732 5.709 ( -1.349 -1.966 -0.223) 2.395 5.813 ( 2.805 2.057 -0.064) 3.479 6.069 ( 2.975 -3.577 -3.554) 5.854 6.136 ( -2.357 0.096 3.081) 3.880 6.265 ( 1.654 -3.999 -2.566) 5.030 6.522 ( -1.553 2.565 3.167) 4.361 6.573 ( 1.581 -0.031 -0.569) 1.681 6.713 ( -1.328 1.069 2.071) 2.683 6.818 ( 0.136 1.154 -0.855) 1.443 7.352 ( 0.259 -1.783 0.099) 1.804 7.540 ( 2.206 -5.088 -3.900) 6.780 7.681 ( 1.859 -1.359 1.419) 2.705 7.733 ( -0.543 -0.650 0.690) 1.092 7.842 ( 0.656 0.084 -2.034) 2.139 7.880 ( 0.480 -0.620 -0.669) 1.031 7.914 ( -0.431 -0.016 0.251) 0.499 8.101 ( -2.049 2.610 -0.245) 3.327 8.142 ( -0.625 -0.550 -0.733) 1.109 8.181 ( -0.722 2.137 0.451) 2.300 8.274 ( -0.650 1.273 2.332) 2.735 8.365 ( 1.639 -1.477 0.579) 2.281 9.021 ( -1.685 1.385 3.261) 3.923 9.060 ( 1.034 -0.182 -1.260) 1.640 9.116 ( 0.809 -0.881 -0.722) 1.397 9.193 ( 1.297 1.493 -2.494) 3.182 11.894 ( -0.442 -0.084 0.616) 0.763 11.919 ( 0.327 0.108 -0.313) 0.465 11.960 ( 1.112 -0.441 0.363) 1.251 11.990 ( -0.471 0.710 0.439) 0.958 15.288 ( -0.458 -1.788 -0.851) 2.033 15.355 ( 0.256 -0.490 -1.060) 1.195 15.562 ( -2.321 0.030 1.752) 2.908 15.594 ( -0.555 0.681 0.934) 1.282 15.728 ( -1.081 -3.083 0.573) 3.317 15.800 ( -2.608 2.720 0.256) 3.777 16.064 ( 1.610 0.018 -0.437) 1.668 16.112 ( 5.267 0.922 -4.353) 6.895 16.832 ( 0.144 0.964 1.770) 2.020 16.908 ( 0.654 0.234 0.541) 0.880 16.960 ( -4.197 -1.112 1.754) 4.683 17.081 ( -1.360 1.259 -4.558) 4.920 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.655 ( -8.675 1.412 14.395) 16.866 0.859 ( -3.963 3.371 16.239) 17.053 1.201 ( -0.864 -0.052 -2.500) 2.646 1.334 ( -3.283 -0.844 8.777) 9.409 1.360 ( 0.192 0.608 -3.408) 3.467 1.433 ( -2.353 1.853 4.081) 5.062 1.508 ( -3.589 5.720 5.076) 8.448 1.614 ( 3.374 1.664 0.185) 3.766 1.649 ( -2.753 -3.498 9.932) 10.883 1.655 ( -1.393 2.931 4.147) 5.266 1.798 ( 7.847 -3.548 -7.717) 11.563 1.896 ( 3.027 -1.369 -3.292) 4.677 1.989 ( 0.756 1.031 -1.807) 2.214 2.086 ( -2.633 -2.893 0.883) 4.010 2.142 ( 0.512 -2.732 1.833) 3.330 2.257 ( 7.667 2.764 -2.100) 8.416 2.263 ( -3.096 0.351 -1.687) 3.543 2.283 ( 1.035 1.130 2.882) 3.264 2.360 ( 1.970 1.673 1.678) 3.082 2.516 ( -0.433 1.988 0.365) 2.067 2.572 ( -1.969 1.199 -3.237) 3.974 2.632 ( 0.868 5.073 -2.110) 5.563 3.035 ( 1.039 -3.966 -4.835) 6.340 3.079 ( -1.234 -1.196 -1.656) 2.386 3.234 ( 0.497 0.678 -0.162) 0.857 3.354 ( -2.966 -6.282 5.166) 8.658 3.394 ( 1.609 -0.958 0.125) 1.876 3.521 ( -2.443 2.786 -2.107) 4.263 3.626 ( -1.090 1.214 4.822) 5.091 3.768 ( 1.226 2.305 -4.232) 4.973 3.800 ( -4.310 4.751 7.447) 9.829 4.018 ( 3.815 -1.116 -0.859) 4.067 4.136 ( -3.608 2.191 -1.216) 4.393 4.243 ( 0.165 0.288 4.459) 4.472 4.316 ( -0.182 -0.905 -8.500) 8.550 4.516 ( -0.751 0.141 -5.740) 5.791 4.616 ( 1.033 -2.497 -5.824) 6.421 4.688 ( -2.094 1.528 -6.397) 6.902 4.892 ( 0.979 -1.151 4.428) 4.679 5.139 ( 1.425 -3.671 -0.249) 3.946 5.243 ( -0.807 -2.887 3.618) 4.699 5.432 ( -2.019 1.607 -0.458) 2.621 5.646 ( 1.152 -1.162 1.067) 1.953 5.705 ( -1.908 0.100 -1.333) 2.330 5.833 ( 3.924 -0.006 2.748) 4.790 6.052 ( -3.003 2.062 0.535) 3.681 6.198 ( 0.962 -4.859 0.259) 4.960 6.313 ( 0.695 -2.528 -3.430) 4.317 6.497 ( -0.905 0.938 2.777) 3.067 6.572 ( 3.077 1.834 -2.889) 4.602 6.683 ( -1.280 2.144 1.384) 2.855 6.797 ( 1.267 0.921 -2.085) 2.608 7.392 ( 0.670 -1.977 1.583) 2.620 7.621 ( 1.245 -5.682 -3.267) 6.672 7.728 ( 1.265 -1.281 1.780) 2.532 7.753 ( -1.267 -2.242 -0.101) 2.577 7.821 ( -0.943 1.317 -0.541) 1.708 7.890 ( 0.995 -0.230 -1.522) 1.832 7.923 ( 0.148 -1.462 -0.003) 1.470 8.031 ( -1.859 3.647 -0.750) 4.162 8.117 ( -0.369 1.862 -2.302) 2.983 8.134 ( -0.455 2.638 -0.211) 2.685 8.288 ( -2.673 -1.562 4.343) 5.334 8.392 ( 1.819 0.027 -0.075) 1.820 9.008 ( -1.630 0.746 3.410) 3.852 9.068 ( 1.382 -0.455 -1.098) 1.823 9.136 ( 1.604 -0.715 -0.623) 1.863 9.149 ( -0.369 2.800 -1.107) 3.033 11.898 ( -0.254 -0.240 0.839) 0.909 11.918 ( 0.509 0.180 -0.425) 0.687 11.975 ( -0.627 0.219 0.866) 1.091 11.984 ( 1.117 -0.190 0.229) 1.156 15.310 ( -0.148 -1.792 -0.905) 2.013 15.353 ( -0.604 -0.520 -1.305) 1.529 15.538 ( -2.016 0.912 1.024) 2.438 15.577 ( -2.523 1.445 0.636) 2.977 15.736 ( -1.886 1.096 0.390) 2.216 15.768 ( 0.607 -1.255 -2.051) 2.480 16.073 ( 0.674 0.668 1.629) 1.885 16.129 ( 4.539 -0.181 -2.020) 4.972 16.837 ( 0.551 -0.307 1.325) 1.468 16.904 ( 2.973 2.403 -0.240) 3.830 16.942 ( -4.645 -0.722 0.651) 4.746 17.000 ( -6.351 1.585 -3.498) 7.421 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.824 ( -0.151 0.000 14.963) 14.964 0.930 ( -6.146 0.000 15.875) 17.023 1.115 ( 2.024 -0.000 -6.053) 6.382 1.313 ( 1.759 -0.000 -3.679) 4.078 1.392 ( -3.731 0.000 5.274) 6.461 1.423 ( -5.653 0.000 7.978) 9.778 1.503 ( 2.907 -0.000 2.641) 3.927 1.633 ( 1.811 -0.000 -3.966) 4.360 1.647 ( 2.160 -0.000 -2.452) 3.267 1.861 ( 1.828 -0.000 -3.553) 3.996 1.869 ( 1.276 -0.000 0.739) 1.474 1.909 ( 1.727 -0.000 -4.035) 4.389 2.032 ( 0.628 -0.000 4.465) 4.509 2.083 ( -2.369 0.000 -3.705) 4.397 2.142 ( -2.262 0.000 -0.282) 2.280 2.241 ( 3.365 -0.000 12.914) 13.345 2.250 ( -2.858 0.000 -1.706) 3.329 2.292 ( 0.344 -0.000 -6.075) 6.085 2.449 ( 2.069 -0.000 -3.027) 3.666 2.463 ( 6.946 -0.000 -3.841) 7.937 2.605 ( 0.126 -0.000 4.435) 4.437 2.635 ( 4.122 -0.000 -1.865) 4.525 2.905 ( -5.036 0.000 -2.367) 5.565 3.128 ( 3.897 -0.000 -4.395) 5.874 3.281 ( -0.207 0.000 4.325) 4.330 3.294 ( -6.099 0.000 1.241) 6.224 3.381 ( -0.070 0.000 -6.174) 6.175 3.404 ( -5.008 0.000 5.198) 7.218 3.678 ( 0.528 -0.000 5.928) 5.952 3.787 ( 3.254 -0.000 -1.993) 3.815 3.886 ( -0.110 0.000 5.093) 5.094 4.003 ( -3.615 0.000 1.750) 4.016 4.051 ( -1.785 0.000 -3.042) 3.527 4.225 ( 7.617 -0.000 -7.643) 10.790 4.287 ( -0.642 0.000 5.219) 5.258 4.447 ( 3.031 -0.000 -2.896) 4.192 4.511 ( -2.834 0.000 -0.076) 2.835 4.634 ( 4.355 -0.000 -5.906) 7.338 4.999 ( -1.186 0.000 5.030) 5.168 5.084 ( -2.918 0.000 -4.458) 5.328 5.318 ( -1.750 0.000 -1.632) 2.393 5.391 ( 2.386 -0.000 4.654) 5.230 5.671 ( -1.333 0.000 0.811) 1.560 5.679 ( 0.172 -0.000 0.233) 0.290 5.901 ( -5.499 0.000 -1.101) 5.608 6.016 ( 4.174 -0.000 4.080) 5.837 6.250 ( -2.409 0.000 0.886) 2.567 6.265 ( -0.082 0.000 -3.313) 3.314 6.543 ( 1.322 -0.000 0.592) 1.449 6.565 ( 3.342 -0.000 -3.555) 4.879 6.627 ( -3.353 0.000 1.531) 3.686 6.794 ( 1.744 -0.000 -2.567) 3.103 7.489 ( 0.410 -0.000 4.241) 4.261 7.555 ( -2.810 0.000 -5.359) 6.051 7.712 ( -4.844 0.000 4.337) 6.502 7.787 ( 0.624 -0.000 -1.612) 1.729 7.805 ( 1.532 -0.000 -0.103) 1.535 7.898 ( 1.190 -0.000 -1.068) 1.599 7.910 ( -1.166 0.000 0.711) 1.365 8.008 ( 2.562 -0.000 -3.056) 3.988 8.053 ( -1.120 0.000 2.601) 2.832 8.098 ( -0.455 0.000 0.698) 0.833 8.296 ( -2.288 0.000 3.016) 3.785 8.427 ( 1.214 -0.000 -1.072) 1.620 8.991 ( -2.831 0.000 1.620) 3.262 9.073 ( -2.108 0.000 1.611) 2.653 9.121 ( 2.433 -0.000 -1.679) 2.956 9.184 ( 1.882 -0.000 -1.131) 2.196 11.902 ( -0.435 0.000 0.109) 0.449 11.923 ( 0.474 -0.000 -0.272) 0.547 11.949 ( -1.921 0.000 1.077) 2.202 12.019 ( 0.925 -0.000 -0.442) 1.025 15.318 ( -0.556 0.000 -0.807) 0.980 15.340 ( 1.260 -0.000 0.185) 1.274 15.480 ( -3.041 0.000 2.681) 4.054 15.507 ( -2.157 0.000 1.690) 2.740 15.765 ( 1.691 -0.000 -1.529) 2.280 15.792 ( 4.568 -0.000 -0.399) 4.585 16.094 ( -0.784 0.000 0.868) 1.170 16.153 ( 0.093 -0.000 -2.187) 2.189 16.803 ( -3.795 0.000 1.714) 4.164 16.844 ( -2.870 0.000 0.104) 2.872 16.950 ( 2.742 -0.000 1.250) 3.014 16.976 ( 4.250 -0.000 1.179) 4.410 ======================= Grid point 109 (53/88) ======================= q-point: ( 0.29 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.829 ( -2.766 2.454 14.335) 14.804 1.081 ( 1.753 -5.104 5.625) 7.795 1.147 ( 2.763 -6.334 -2.569) 7.373 1.316 ( 2.170 -0.487 -3.722) 4.336 1.376 ( -5.968 0.798 5.700) 8.292 1.419 ( -1.955 -0.078 4.368) 4.786 1.565 ( 1.856 -0.271 -0.463) 1.932 1.581 ( 0.761 4.754 -0.465) 4.837 1.656 ( 0.949 -2.188 -3.631) 4.344 1.813 ( 0.641 3.150 -3.614) 4.837 1.873 ( 0.032 0.359 -1.407) 1.452 1.915 ( 0.430 0.848 -1.166) 1.504 1.996 ( 0.047 2.692 -1.269) 2.976 2.049 ( 0.129 1.319 0.077) 1.327 2.138 ( -1.141 -0.601 -1.264) 1.806 2.193 ( -5.781 -0.794 -2.293) 6.269 2.292 ( 4.201 -1.170 -5.411) 6.950 2.359 ( 5.917 0.024 9.660) 11.328 2.437 ( 0.029 -0.407 -3.210) 3.236 2.502 ( 4.953 -0.258 -2.140) 5.401 2.633 ( -0.489 -1.866 2.515) 3.170 2.715 ( 3.245 -6.448 -3.509) 8.026 2.866 ( -3.601 -0.497 -0.557) 3.678 3.113 ( 3.045 2.683 -1.048) 4.192 3.235 ( -3.482 2.044 3.450) 5.311 3.305 ( -0.943 0.332 -2.773) 2.948 3.351 ( -1.764 -1.221 0.736) 2.268 3.384 ( -5.266 0.958 5.257) 7.502 3.713 ( -1.129 0.597 4.048) 4.245 3.765 ( 1.155 2.569 -2.726) 3.920 3.914 ( -2.659 -3.824 -1.395) 4.862 3.996 ( -1.252 0.806 6.956) 7.113 4.072 ( 0.710 -3.941 -1.122) 4.158 4.242 ( 5.548 0.447 -3.826) 6.754 4.355 ( 2.995 -2.646 3.433) 5.268 4.457 ( 4.355 0.653 -2.030) 4.850 4.519 ( -2.281 -3.184 0.748) 3.988 4.638 ( 5.120 0.491 -3.489) 6.216 4.979 ( -3.490 3.262 2.394) 5.344 5.024 ( -1.825 1.164 -2.881) 3.604 5.249 ( -1.550 4.699 0.966) 5.041 5.474 ( 3.097 -2.942 2.503) 4.951 5.657 ( -1.444 0.633 0.494) 1.653 5.688 ( 0.895 -0.687 -0.753) 1.356 5.852 ( -4.237 -0.583 -1.340) 4.482 6.054 ( 2.703 2.248 1.328) 3.758 6.206 ( -2.229 2.225 1.448) 3.466 6.250 ( -0.391 0.314 -1.672) 1.746 6.522 ( -0.335 1.012 0.917) 1.406 6.571 ( -0.617 0.429 -2.026) 2.161 6.675 ( 0.529 -5.420 0.372) 5.459 6.794 ( 0.960 0.050 -1.915) 2.143 7.464 ( -1.198 4.021 0.645) 4.245 7.498 ( -0.407 2.340 -2.276) 3.290 7.708 ( -3.281 -0.799 3.580) 4.922 7.758 ( 0.309 2.191 0.401) 2.249 7.813 ( 1.869 0.124 -1.484) 2.390 7.867 ( -0.677 1.382 -1.502) 2.151 7.938 ( 0.398 -0.290 -0.433) 0.656 8.034 ( 0.632 -3.928 -0.411) 3.999 8.076 ( 0.362 -0.997 2.363) 2.591 8.122 ( -0.524 -2.089 1.061) 2.401 8.295 ( -1.965 -0.488 2.076) 2.900 8.419 ( 0.531 0.998 -1.503) 1.881 8.986 ( -2.554 -1.473 0.907) 3.085 9.061 ( -1.425 0.488 1.717) 2.284 9.142 ( 1.917 -1.316 -2.109) 3.139 9.179 ( 1.220 1.560 -0.776) 2.127 11.898 ( -0.527 0.018 -0.003) 0.528 11.925 ( 0.364 0.012 -0.279) 0.458 11.941 ( -1.592 -0.109 0.917) 1.840 12.020 ( 0.530 0.180 -0.664) 0.868 15.295 ( -0.254 1.486 0.100) 1.510 15.344 ( 1.237 1.188 0.155) 1.722 15.494 ( -3.057 -2.424 2.465) 4.615 15.524 ( -1.463 -2.280 2.861) 3.941 15.747 ( 1.915 2.797 -0.679) 3.457 15.846 ( 4.572 -1.572 -1.123) 4.964 16.087 ( -0.794 0.007 -1.134) 1.384 16.132 ( -0.131 0.828 -2.245) 2.397 16.791 ( -3.441 -0.892 2.672) 4.446 16.845 ( -1.718 -2.495 -0.494) 3.070 16.950 ( 1.944 2.604 2.570) 4.143 17.051 ( 4.376 -2.508 0.270) 5.052 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.893 ( -1.495 -4.036 7.573) 8.710 1.151 ( 3.666 -0.736 -0.595) 3.787 1.270 ( 3.524 -2.741 -1.688) 4.773 1.318 ( 1.850 -1.137 -1.889) 2.878 1.349 ( -3.429 1.425 2.630) 4.551 1.393 ( -2.985 3.094 -0.216) 4.305 1.482 ( 3.010 4.274 -2.396) 5.750 1.561 ( 0.784 1.660 -0.586) 1.927 1.704 ( -1.519 -3.509 -0.558) 3.865 1.748 ( -0.664 2.570 -2.303) 3.514 1.845 ( 1.941 2.844 -4.198) 5.430 1.867 ( -0.349 2.118 1.038) 2.384 1.939 ( -2.673 2.588 -0.952) 3.841 2.076 ( 2.902 -1.704 0.137) 3.368 2.111 ( -0.849 1.690 -0.258) 1.909 2.174 ( -4.281 -3.808 -3.376) 6.650 2.310 ( 0.422 -0.427 -5.762) 5.793 2.384 ( 4.654 2.819 0.851) 5.508 2.505 ( 1.647 -5.259 3.396) 6.473 2.537 ( 3.913 -0.906 -0.551) 4.054 2.688 ( -0.743 -3.002 2.618) 4.051 2.795 ( -2.329 -0.378 -0.125) 2.362 2.852 ( 2.122 -3.200 -2.408) 4.532 3.101 ( 1.168 0.596 -1.752) 2.188 3.187 ( -2.539 3.017 2.410) 4.621 3.276 ( -0.693 0.177 -3.548) 3.620 3.295 ( -6.405 2.811 8.717) 11.176 3.436 ( -0.625 -4.732 2.068) 5.201 3.689 ( -1.138 1.593 1.884) 2.717 3.737 ( 2.244 2.235 -0.509) 3.207 3.926 ( -4.366 -3.238 -2.192) 5.861 4.032 ( -0.719 -0.324 6.532) 6.580 4.135 ( 0.866 -2.890 0.800) 3.122 4.267 ( 5.106 -0.686 -5.233) 7.343 4.414 ( 1.254 -0.138 3.637) 3.850 4.472 ( 3.458 1.265 -0.918) 3.794 4.579 ( 0.851 -4.531 -1.218) 4.769 4.675 ( 4.242 -0.872 0.668) 4.382 4.891 ( -4.167 3.689 0.130) 5.567 4.980 ( -0.988 1.672 -0.626) 2.040 5.186 ( -1.900 2.663 3.496) 4.788 5.543 ( 4.037 -0.886 -0.275) 4.142 5.640 ( -1.064 0.202 0.674) 1.276 5.691 ( 0.148 0.220 -2.354) 2.369 5.849 ( -1.121 -3.408 -2.314) 4.269 5.999 ( 1.127 5.648 -2.031) 6.108 6.176 ( -1.130 0.692 0.925) 1.616 6.229 ( 0.681 1.902 -0.857) 2.195 6.528 ( -2.281 -1.722 2.486) 3.788 6.554 ( -1.617 -0.593 0.191) 1.733 6.750 ( -0.647 -2.061 1.931) 2.897 6.787 ( 0.377 -0.340 -1.052) 1.168 7.396 ( -0.433 3.459 -0.143) 3.489 7.446 ( 0.744 1.985 -2.659) 3.401 7.692 ( 0.090 1.841 -0.062) 1.845 7.759 ( -0.996 -0.088 3.475) 3.616 7.822 ( 2.563 -0.266 -2.309) 3.460 7.843 ( -0.376 -0.593 -2.033) 2.151 7.923 ( -0.973 0.883 -0.082) 1.316 8.104 ( 2.044 -0.354 0.196) 2.084 8.116 ( -1.317 -4.692 2.585) 5.517 8.152 ( -0.821 -1.372 1.502) 2.193 8.296 ( -1.717 -0.354 0.836) 1.942 8.390 ( 0.142 1.757 -1.663) 2.423 9.002 ( -1.495 -2.334 0.032) 2.772 9.055 ( -0.864 0.272 1.876) 2.083 9.149 ( 0.078 2.079 -0.434) 2.126 9.169 ( 1.900 -1.305 -2.158) 3.158 11.894 ( -0.519 -0.052 0.106) 0.532 11.924 ( -0.303 0.110 0.052) 0.327 11.939 ( -0.183 -0.268 0.285) 0.432 12.016 ( 0.010 0.225 -0.632) 0.671 15.277 ( -0.141 0.863 0.313) 0.929 15.335 ( 0.809 0.824 0.182) 1.169 15.519 ( -2.594 -2.066 2.192) 3.975 15.571 ( -0.876 -2.127 3.886) 4.516 15.713 ( 1.370 2.788 -0.081) 3.108 15.890 ( 2.473 -0.202 -0.387) 2.511 16.067 ( 0.344 -0.038 -4.618) 4.630 16.110 ( 0.885 0.474 -2.008) 2.245 16.801 ( -3.594 -1.936 3.352) 5.282 16.876 ( -0.213 -2.537 -0.930) 2.711 16.940 ( 0.054 2.110 3.956) 4.484 17.113 ( 3.760 -1.098 -1.319) 4.133 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.977 ( -0.578 -2.773 2.699) 3.913 1.104 ( -0.127 10.514 3.601) 11.114 1.259 ( -1.657 2.122 0.535) 2.745 1.306 ( 1.043 0.435 0.241) 1.155 1.332 ( -1.376 0.559 -1.775) 2.314 1.405 ( 7.021 -5.039 -4.860) 9.916 1.471 ( 2.459 -1.008 -3.667) 4.529 1.549 ( 0.937 1.682 0.480) 1.984 1.657 ( -3.710 2.028 -5.121) 6.641 1.715 ( 1.354 2.247 -0.237) 2.634 1.789 ( 1.560 2.218 -1.510) 3.104 1.879 ( -0.278 0.411 -1.628) 1.702 1.918 ( -1.767 -3.941 3.755) 5.723 2.061 ( -1.935 -0.371 -4.535) 4.945 2.124 ( -0.305 0.179 3.432) 3.450 2.198 ( -0.738 -3.645 -1.298) 3.939 2.243 ( -1.887 1.554 -5.965) 6.447 2.405 ( 3.671 1.492 1.590) 4.270 2.574 ( 5.122 2.885 -1.307) 6.022 2.593 ( 0.521 -1.614 3.452) 3.846 2.681 ( -3.816 2.645 0.375) 4.658 2.760 ( -2.544 -0.944 2.107) 3.436 2.952 ( 1.530 -6.186 -0.526) 6.394 3.078 ( 0.607 2.163 -3.566) 4.215 3.140 ( -2.696 0.959 5.238) 5.968 3.242 ( -1.472 0.754 -1.892) 2.513 3.304 ( -1.813 -1.875 6.550) 7.050 3.499 ( 0.496 -2.618 -1.183) 2.916 3.679 ( 0.153 0.623 2.337) 2.424 3.741 ( 2.337 0.271 1.570) 2.828 3.928 ( -2.439 -2.726 -2.045) 4.191 4.042 ( -2.535 2.099 5.498) 6.408 4.179 ( 0.650 -1.737 -0.544) 1.933 4.284 ( 4.317 -0.481 -5.943) 7.361 4.404 ( -2.674 3.343 2.569) 4.992 4.493 ( 3.335 -0.658 -0.169) 3.404 4.609 ( -0.319 0.706 0.198) 0.800 4.741 ( 3.252 -2.645 0.721) 4.253 4.809 ( -3.786 2.101 -0.607) 4.372 4.963 ( -0.520 -0.916 -0.166) 1.067 5.171 ( -1.482 0.904 5.677) 5.936 5.561 ( 3.119 1.225 -3.984) 5.206 5.650 ( -1.086 -1.115 2.759) 3.168 5.663 ( 1.011 1.119 -3.977) 4.253 5.901 ( 2.422 -3.942 -4.545) 6.485 5.910 ( 0.383 3.666 -1.188) 3.872 6.169 ( -0.193 0.150 -0.118) 0.271 6.201 ( 0.688 0.810 -1.420) 1.774 6.548 ( -2.664 -1.296 3.134) 4.313 6.564 ( -1.166 -1.057 1.523) 2.190 6.739 ( -2.954 1.487 3.992) 5.184 6.814 ( 0.077 -1.448 0.325) 1.486 7.350 ( -0.065 1.932 0.102) 1.936 7.433 ( 2.377 -1.060 -4.098) 4.855 7.673 ( 1.139 0.907 -0.245) 1.477 7.749 ( -1.726 1.179 1.001) 2.318 7.834 ( 2.178 -0.204 -2.948) 3.671 7.859 ( 1.082 -1.930 -2.506) 3.342 7.910 ( -0.919 0.332 2.995) 3.150 8.115 ( 0.418 0.113 -0.219) 0.485 8.160 ( -1.810 -0.105 2.692) 3.246 8.181 ( -0.820 -2.058 1.312) 2.575 8.297 ( -0.109 -1.382 -0.082) 1.388 8.353 ( 0.097 2.054 -1.171) 2.366 9.028 ( -0.922 -1.829 0.687) 2.161 9.061 ( 0.409 -0.152 0.893) 0.994 9.112 ( -0.808 1.897 0.408) 2.102 9.191 ( 1.569 -1.182 -2.918) 3.518 11.892 ( -0.456 -0.073 0.323) 0.564 11.921 ( -0.130 0.049 0.106) 0.175 11.948 ( 0.735 -0.395 0.094) 0.840 12.006 ( -0.605 0.277 -0.389) 0.771 15.267 ( 0.022 0.352 -0.095) 0.365 15.336 ( 0.221 -0.261 -0.198) 0.395 15.537 ( -2.210 -1.177 2.373) 3.449 15.611 ( -0.378 -0.689 3.525) 3.611 15.690 ( 0.622 1.235 0.653) 1.529 15.880 ( -1.153 2.058 0.389) 2.391 16.054 ( 2.117 -0.551 -4.876) 5.344 16.112 ( 2.763 -0.539 -3.483) 4.479 16.824 ( -3.049 -2.197 3.090) 4.865 16.898 ( 0.439 -0.002 0.723) 0.847 16.935 ( -1.898 -0.024 3.081) 3.619 17.130 ( 2.703 0.901 -2.964) 4.111 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.929 ( -0.881 12.966 4.899) 13.888 0.990 ( -0.823 3.522 8.845) 9.556 1.225 ( -0.078 1.047 0.152) 1.061 1.315 ( 0.035 -0.421 -0.997) 1.083 1.331 ( -0.910 -1.733 -0.568) 2.038 1.496 ( -0.324 -2.677 -1.845) 3.268 1.506 ( -0.917 -0.851 -1.886) 2.263 1.525 ( 6.353 -0.735 -3.125) 7.118 1.606 ( 0.195 -2.060 -3.007) 3.650 1.710 ( 2.776 0.519 0.125) 2.827 1.775 ( 1.142 0.789 -1.358) 1.942 1.867 ( 0.028 -1.296 -0.972) 1.620 1.992 ( -1.221 -2.639 4.041) 4.978 2.037 ( -3.856 -2.526 -3.998) 6.102 2.107 ( -1.987 2.350 1.572) 3.456 2.195 ( 1.927 -0.847 -3.968) 4.492 2.262 ( 1.993 -2.690 0.927) 3.474 2.408 ( 0.453 1.454 1.421) 2.083 2.483 ( 1.703 8.765 -0.662) 8.953 2.604 ( -1.502 3.345 0.595) 3.714 2.626 ( -1.614 0.516 1.566) 2.308 2.765 ( -3.012 1.024 3.491) 4.723 3.009 ( 4.128 2.956 -4.887) 7.047 3.026 ( -1.423 -2.173 -0.403) 2.628 3.192 ( -3.307 -3.778 9.348) 10.611 3.226 ( -0.157 -1.040 -1.469) 1.806 3.352 ( 0.142 -1.710 0.943) 1.958 3.521 ( 1.099 -0.806 -1.943) 2.373 3.699 ( 1.454 -0.047 2.294) 2.716 3.753 ( -0.513 -0.345 -1.287) 1.428 3.959 ( 0.862 -0.721 1.899) 2.207 3.989 ( -3.415 3.178 4.436) 6.438 4.197 ( -0.196 -1.477 -3.898) 4.173 4.286 ( 1.547 0.573 -2.823) 3.270 4.315 ( -1.796 5.348 0.365) 5.653 4.515 ( 0.739 -0.558 -2.505) 2.670 4.588 ( 0.437 1.573 1.125) 1.983 4.741 ( -2.045 1.170 -4.680) 5.240 4.817 ( 1.576 -2.413 2.621) 3.896 4.993 ( -1.812 -3.975 0.217) 4.373 5.191 ( -0.331 0.037 6.176) 6.185 5.506 ( -0.351 2.861 -5.582) 6.282 5.650 ( 3.597 1.073 -1.600) 4.080 5.673 ( -1.771 -1.283 2.188) 3.093 5.866 ( 3.157 2.030 -1.671) 4.108 5.982 ( 1.738 -6.022 -3.886) 7.374 6.153 ( -1.461 1.340 0.843) 2.154 6.214 ( 1.158 -2.406 -1.845) 3.246 6.555 ( -1.582 0.694 2.579) 3.104 6.572 ( -0.777 -0.437 1.511) 1.754 6.725 ( -2.417 0.325 4.123) 4.791 6.824 ( -0.692 0.173 0.481) 0.861 7.339 ( 0.369 -0.303 0.284) 0.555 7.466 ( 2.677 -3.337 -4.792) 6.423 7.682 ( 1.413 -0.763 -0.210) 1.619 7.722 ( -2.266 0.340 1.032) 2.513 7.828 ( 0.902 -0.032 -3.817) 3.923 7.878 ( 1.673 -0.780 -2.047) 2.756 7.926 ( 0.371 0.360 3.331) 3.371 8.102 ( -1.271 0.797 -1.275) 1.969 8.146 ( -1.708 1.232 2.694) 3.420 8.193 ( -1.146 0.050 1.039) 1.548 8.313 ( 0.471 2.075 -0.234) 2.140 8.343 ( 0.782 -2.689 0.344) 2.821 9.043 ( -1.379 0.499 2.521) 2.917 9.066 ( 1.185 0.204 -0.068) 1.204 9.099 ( -0.029 -0.814 -0.494) 0.952 9.194 ( 0.781 -0.143 -3.242) 3.337 11.892 ( -0.316 -0.105 0.549) 0.642 11.921 ( 0.255 0.006 -0.100) 0.274 11.965 ( 1.222 -0.519 0.254) 1.352 11.993 ( -1.117 0.318 -0.018) 1.162 15.267 ( 0.166 -0.368 -0.199) 0.450 15.339 ( -0.266 -0.501 -1.279) 1.399 15.547 ( -2.243 -0.697 2.458) 3.399 15.621 ( 0.026 1.237 2.009) 2.359 15.694 ( -0.736 -0.842 1.568) 1.925 15.827 ( -1.343 2.712 -0.214) 3.034 16.064 ( 2.037 -0.893 -2.202) 3.130 16.126 ( 3.818 -0.532 -5.008) 6.320 16.847 ( -1.675 -1.233 2.183) 3.016 16.895 ( -2.608 0.862 4.298) 5.101 16.938 ( -0.816 -0.716 -0.288) 1.123 17.097 ( 1.528 2.987 -4.082) 5.284 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.759 ( -4.188 9.937 10.081) 14.762 0.996 ( 1.326 4.077 11.713) 12.473 1.199 ( 1.162 1.995 -2.915) 3.719 1.330 ( -0.332 -1.572 2.015) 2.577 1.340 ( -0.703 -0.990 -1.356) 1.820 1.471 ( -2.429 2.480 2.220) 4.121 1.536 ( 2.045 -2.751 -5.273) 6.289 1.549 ( -4.920 -3.301 3.125) 6.698 1.672 ( 2.965 -0.909 2.805) 4.182 1.737 ( 0.965 1.281 1.370) 2.110 1.777 ( 6.790 -2.503 -4.789) 8.678 1.901 ( 2.338 -0.754 -0.364) 2.484 2.003 ( -2.254 1.098 0.145) 2.512 2.031 ( -2.175 -2.338 2.295) 3.932 2.092 ( -1.539 -2.712 -0.650) 3.185 2.216 ( 0.246 -1.706 -2.592) 3.112 2.327 ( 3.288 -0.424 3.030) 4.491 2.367 ( 0.925 5.168 -2.159) 5.677 2.392 ( 0.841 2.176 0.603) 2.410 2.515 ( -2.287 2.677 -4.543) 5.748 2.620 ( 1.425 3.840 5.549) 6.897 2.713 ( -1.133 3.849 1.609) 4.323 2.998 ( 3.798 -0.218 -1.910) 4.257 3.029 ( -3.195 -1.055 -2.343) 4.100 3.227 ( -0.947 -1.051 -0.414) 1.474 3.283 ( -3.382 -3.746 8.710) 10.066 3.378 ( 1.402 -1.883 -2.877) 3.714 3.512 ( -1.812 0.912 -1.662) 2.622 3.692 ( 0.259 3.506 3.440) 4.919 3.761 ( 0.854 -2.215 -4.129) 4.763 3.898 ( -2.585 5.380 7.132) 9.300 4.030 ( 2.064 -1.203 1.967) 3.094 4.133 ( -3.641 3.236 -3.363) 5.919 4.266 ( -0.152 0.433 -1.169) 1.256 4.277 ( 2.710 0.349 -3.098) 4.130 4.493 ( -0.072 1.023 -4.732) 4.842 4.587 ( 2.154 -0.095 -1.969) 2.920 4.665 ( -1.690 2.555 -5.361) 6.174 4.885 ( 0.062 -3.008 4.143) 5.121 5.053 ( -1.814 -5.372 -0.878) 5.738 5.229 ( -1.329 -1.439 5.311) 5.661 5.442 ( 0.827 1.819 -3.799) 4.292 5.660 ( 1.844 0.542 1.008) 2.170 5.680 ( -1.542 -0.639 0.185) 1.680 5.875 ( 3.126 0.129 0.859) 3.245 6.041 ( -0.197 -1.776 -4.798) 5.120 6.141 ( -1.034 -1.873 3.005) 3.689 6.259 ( 0.842 -3.130 -2.328) 3.991 6.531 ( -1.436 2.176 2.781) 3.812 6.585 ( 0.572 -0.583 -0.619) 1.024 6.719 ( -1.063 1.691 2.616) 3.292 6.807 ( -0.159 0.878 -0.880) 1.253 7.370 ( 0.641 -2.405 1.404) 2.858 7.521 ( 1.395 -4.819 -4.982) 7.070 7.709 ( -0.596 -1.995 -0.430) 2.126 7.721 ( -1.240 -0.866 2.777) 3.162 7.815 ( 0.486 -0.195 -3.205) 3.247 7.889 ( 1.589 -0.343 -2.111) 2.664 7.935 ( 0.699 1.137 2.419) 2.763 8.055 ( -1.157 2.182 -2.021) 3.191 8.127 ( -1.867 1.490 1.829) 3.008 8.171 ( -1.139 2.010 0.562) 2.377 8.292 ( -0.449 0.993 2.324) 2.567 8.390 ( 1.102 -1.800 -0.280) 2.129 9.028 ( -1.432 1.161 2.830) 3.378 9.075 ( 1.041 0.526 -0.292) 1.202 9.119 ( 0.562 -2.002 -0.878) 2.257 9.172 ( 0.266 1.339 -2.538) 2.882 11.896 ( -0.209 -0.216 0.699) 0.761 11.922 ( 0.456 0.092 -0.383) 0.602 11.975 ( -1.282 0.266 0.499) 1.402 11.989 ( 1.175 -0.532 0.211) 1.307 15.280 ( 0.059 -1.242 -0.045) 1.244 15.332 ( -0.412 -0.372 -1.893) 1.972 15.545 ( -2.099 0.408 2.312) 3.149 15.596 ( -1.876 2.440 1.692) 3.512 15.710 ( -1.431 -1.616 0.393) 2.194 15.787 ( 1.979 2.065 -0.834) 2.979 16.085 ( 1.142 -0.609 -0.143) 1.302 16.136 ( 3.312 -0.604 -4.538) 5.650 16.856 ( -0.517 1.062 2.797) 3.036 16.880 ( -5.325 -1.189 3.098) 6.274 16.938 ( -0.130 -0.008 -1.067) 1.075 17.022 ( 1.537 4.945 -3.471) 6.234 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.963 ( -9.211 0.000 12.539) 15.559 1.007 ( 1.973 -0.000 12.829) 12.980 1.127 ( 6.578 -0.000 -5.543) 8.602 1.310 ( 2.366 -0.000 -3.110) 3.908 1.356 ( -7.749 0.000 6.032) 9.820 1.433 ( -1.937 0.000 4.313) 4.728 1.559 ( 0.405 -0.000 -0.915) 1.001 1.601 ( 0.746 -0.000 -3.737) 3.811 1.656 ( 2.266 -0.000 -4.063) 4.652 1.814 ( -1.594 0.000 -3.569) 3.909 1.872 ( 2.472 -0.000 -3.503) 4.287 1.930 ( 2.408 -0.000 1.031) 2.619 2.026 ( 2.495 -0.000 -6.619) 7.073 2.048 ( -3.511 0.000 4.052) 5.362 2.080 ( -3.476 0.000 -1.106) 3.648 2.137 ( -4.445 0.000 -1.521) 4.698 2.274 ( 4.395 -0.000 -7.605) 8.784 2.399 ( -2.265 0.000 -3.779) 4.405 2.486 ( 6.106 -0.000 6.903) 9.216 2.521 ( 3.951 -0.000 -4.309) 5.846 2.626 ( 1.479 -0.000 -4.775) 4.999 2.656 ( 1.206 -0.000 2.508) 2.783 2.841 ( -1.921 0.000 1.990) 2.766 3.149 ( 2.723 -0.000 -1.878) 3.308 3.243 ( -1.314 0.000 1.770) 2.204 3.299 ( -3.025 0.000 3.212) 4.412 3.315 ( -0.490 0.000 -3.272) 3.308 3.400 ( -4.687 0.000 7.659) 8.979 3.745 ( -1.831 0.000 5.975) 6.250 3.783 ( -0.092 0.000 -1.482) 1.485 3.842 ( -0.864 0.000 -4.731) 4.810 4.017 ( 1.524 -0.000 -3.036) 3.397 4.046 ( -2.150 0.000 9.426) 9.668 4.286 ( 7.456 -0.000 -5.193) 9.086 4.379 ( 1.408 -0.000 8.305) 8.423 4.474 ( -2.805 0.000 2.214) 3.573 4.502 ( 5.734 -0.000 -1.887) 6.036 4.674 ( 6.557 -0.000 -3.049) 7.231 4.971 ( -3.227 0.000 -5.624) 6.484 4.999 ( -3.504 0.000 2.123) 4.098 5.303 ( 0.961 -0.000 -0.001) 0.961 5.479 ( 1.191 -0.000 4.722) 4.870 5.647 ( -2.761 0.000 1.007) 2.939 5.689 ( 2.354 -0.000 -1.825) 2.979 5.810 ( -2.979 0.000 -0.796) 3.083 6.105 ( -0.431 0.000 2.597) 2.633 6.198 ( -4.037 0.000 2.503) 4.750 6.239 ( 0.038 -0.000 -1.019) 1.020 6.545 ( 0.165 -0.000 -3.448) 3.452 6.578 ( 3.444 -0.000 -4.668) 5.801 6.607 ( -1.924 0.000 4.089) 4.519 6.789 ( 1.514 -0.000 -3.087) 3.438 7.468 ( -0.861 0.000 -3.572) 3.674 7.529 ( -1.175 0.000 3.489) 3.682 7.678 ( -4.087 0.000 2.779) 4.943 7.782 ( 1.203 -0.000 -1.073) 1.613 7.816 ( 0.665 -0.000 -1.222) 1.391 7.904 ( 0.353 -0.000 -0.871) 0.940 7.922 ( -0.008 0.000 2.648) 2.648 7.987 ( -0.860 0.000 -1.176) 1.457 8.096 ( 2.078 -0.000 1.758) 2.722 8.108 ( 0.343 -0.000 1.165) 1.215 8.282 ( -2.378 0.000 1.524) 2.824 8.420 ( -0.094 0.000 -1.897) 1.899 8.959 ( -2.569 0.000 1.617) 3.035 9.064 ( -1.261 0.000 1.799) 2.197 9.133 ( 1.698 -0.000 -2.507) 3.028 9.195 ( 0.951 -0.000 -1.316) 1.624 11.892 ( -0.714 0.000 -0.028) 0.714 11.928 ( 0.507 -0.000 -0.337) 0.609 11.932 ( -1.396 0.000 1.050) 1.747 12.019 ( 0.119 -0.000 -1.183) 1.189 15.312 ( 0.347 -0.000 0.093) 0.359 15.366 ( 1.025 -0.000 0.497) 1.139 15.479 ( -1.749 0.000 4.202) 4.552 15.497 ( -1.745 0.000 2.651) 3.174 15.795 ( 2.873 -0.000 -0.097) 2.875 15.858 ( 4.539 -0.000 -2.286) 5.082 16.070 ( -1.960 0.000 -0.973) 2.188 16.120 ( -0.799 0.000 -2.353) 2.485 16.776 ( -1.964 0.000 1.861) 2.706 16.806 ( -1.810 0.000 0.360) 1.845 17.015 ( 2.774 -0.000 1.446) 3.128 17.060 ( 2.869 -0.000 2.203) 3.617 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.905 ( -5.683 1.907 11.087) 12.604 1.161 ( 4.479 -1.711 -2.117) 5.241 1.190 ( 1.715 -7.970 2.113) 8.421 1.311 ( 0.451 0.051 -3.062) 3.096 1.333 ( -5.713 -1.314 6.284) 8.594 1.423 ( -0.854 2.061 1.094) 2.485 1.554 ( -0.709 -0.598 -3.596) 3.713 1.563 ( 0.245 3.614 -4.556) 5.821 1.633 ( -1.360 -0.893 0.369) 1.669 1.775 ( 0.520 1.839 -3.800) 4.253 1.859 ( 1.700 1.081 -2.769) 3.424 1.917 ( 1.047 3.105 -1.439) 3.579 1.962 ( -2.018 3.586 -2.127) 4.632 2.058 ( -3.813 -0.497 -0.255) 3.854 2.085 ( -1.274 -3.071 -1.821) 3.791 2.119 ( 2.163 -0.458 1.554) 2.703 2.273 ( 2.206 -0.096 -8.420) 8.704 2.364 ( -1.183 -3.437 -4.057) 5.447 2.496 ( -0.227 0.677 -1.928) 2.056 2.549 ( 3.038 -0.362 2.071) 3.694 2.678 ( 1.659 -2.888 1.637) 3.711 2.711 ( 1.586 -5.807 -3.301) 6.865 2.850 ( 0.567 0.752 3.753) 3.869 3.143 ( 1.774 2.760 -1.554) 3.631 3.222 ( -2.147 1.902 3.368) 4.424 3.264 ( 1.111 1.771 -3.342) 3.941 3.324 ( -4.617 0.109 5.969) 7.547 3.399 ( -1.763 -1.133 5.266) 5.668 3.724 ( -1.576 2.060 3.561) 4.406 3.781 ( 0.965 1.034 0.794) 1.622 3.839 ( -0.679 -2.296 -3.050) 3.878 4.043 ( 0.597 -2.603 -0.194) 2.678 4.090 ( -2.127 -2.111 5.996) 6.703 4.300 ( 6.055 1.815 -4.147) 7.560 4.425 ( -4.167 -0.774 5.980) 7.329 4.520 ( 3.171 -3.753 1.908) 5.271 4.533 ( 6.722 1.316 -2.185) 7.190 4.716 ( 5.386 0.173 -0.068) 5.389 4.896 ( -3.403 2.055 -3.489) 5.289 4.974 ( -3.116 0.270 -0.299) 3.142 5.264 ( 0.563 4.946 2.819) 5.721 5.540 ( 1.166 -2.731 0.362) 2.992 5.630 ( -2.951 -0.042 2.860) 4.110 5.702 ( 3.174 0.324 -2.317) 3.943 5.794 ( -0.443 -0.768 -1.074) 1.392 6.056 ( -4.196 3.023 -0.704) 5.219 6.180 ( -1.289 1.296 2.024) 2.728 6.253 ( 0.728 -0.202 0.954) 1.217 6.515 ( -0.314 0.841 -1.940) 2.138 6.536 ( -1.150 1.058 -0.095) 1.565 6.692 ( 1.236 -5.399 -0.370) 5.551 6.785 ( 0.965 0.056 -2.267) 2.465 7.434 ( 0.563 1.984 -1.681) 2.661 7.492 ( -1.462 4.022 1.454) 4.520 7.684 ( -2.163 -1.884 0.420) 2.900 7.776 ( 0.170 1.150 1.418) 1.833 7.812 ( 0.707 -0.142 -2.449) 2.553 7.863 ( 0.357 2.492 -0.096) 2.519 7.931 ( -0.128 0.723 0.299) 0.793 8.036 ( -1.331 -5.298 2.492) 6.004 8.120 ( 2.589 -0.269 -0.351) 2.627 8.138 ( 0.498 -1.229 1.871) 2.293 8.274 ( -2.475 -0.634 1.063) 2.767 8.397 ( -0.617 0.837 -2.224) 2.455 8.961 ( -1.820 -1.462 1.536) 2.794 9.064 ( -0.660 0.199 1.887) 2.009 9.140 ( 1.370 -1.108 -3.098) 3.564 9.182 ( 0.242 1.317 -1.032) 1.691 11.888 ( -0.683 -0.161 0.216) 0.734 11.924 ( -0.446 0.231 0.450) 0.674 11.935 ( 0.230 -0.390 0.044) 0.455 12.010 ( -0.334 0.035 -1.361) 1.402 15.302 ( 0.379 1.614 0.848) 1.862 15.363 ( 0.655 1.497 0.126) 1.639 15.489 ( -1.496 -1.122 3.695) 4.141 15.544 ( -0.826 -3.241 3.988) 5.205 15.783 ( 2.484 3.741 0.034) 4.490 15.898 ( 3.320 -1.227 -1.931) 4.032 16.041 ( -1.672 0.103 -2.763) 3.231 16.100 ( -0.397 -0.271 -2.602) 2.646 16.772 ( -2.266 -0.491 2.571) 3.462 16.823 ( -0.468 -2.802 -0.221) 2.849 17.011 ( 1.119 3.154 3.185) 4.620 17.115 ( 2.323 -1.749 0.537) 2.957 ======================= Grid point 118 (60/88) ======================= q-point: (-0.43 -0.71 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.935 ( -2.894 -3.358 6.640) 7.984 1.208 ( 0.383 -2.184 -0.388) 2.251 1.277 ( 1.060 -3.507 -4.613) 5.891 1.289 ( -3.580 4.605 1.746) 6.089 1.338 ( 2.443 0.147 -0.441) 2.487 1.388 ( 2.530 0.963 -2.284) 3.542 1.490 ( 0.961 1.793 -2.245) 3.029 1.537 ( -2.073 -0.487 -0.408) 2.168 1.631 ( -2.921 1.198 -2.920) 4.301 1.738 ( 0.861 -0.493 -2.122) 2.343 1.842 ( 0.990 3.624 -4.562) 5.909 1.867 ( -1.598 0.494 -0.975) 1.936 1.887 ( 0.894 1.225 1.136) 1.895 2.004 ( -4.905 0.927 -2.090) 5.412 2.100 ( -0.840 -1.911 -2.173) 3.013 2.180 ( 3.376 -1.906 0.427) 3.900 2.212 ( -1.144 1.041 -4.611) 4.864 2.417 ( -0.185 -1.003 -1.356) 1.696 2.532 ( 1.013 -7.467 -0.949) 7.595 2.599 ( 1.587 -1.972 1.440) 2.912 2.695 ( -1.685 1.010 0.237) 1.979 2.816 ( -1.113 -7.918 -5.217) 9.547 2.847 ( 2.683 5.179 6.846) 8.993 3.088 ( 0.651 2.193 -1.141) 2.556 3.191 ( 0.372 3.161 1.407) 3.480 3.249 ( 0.499 0.187 -0.461) 0.704 3.308 ( -4.229 0.606 8.347) 9.377 3.455 ( 0.393 -2.722 1.297) 3.041 3.710 ( -1.130 1.309 4.261) 4.598 3.777 ( -0.560 0.783 2.011) 2.230 3.863 ( 1.612 -2.667 -1.976) 3.690 4.078 ( 0.037 0.023 2.731) 2.731 4.138 ( -1.247 -3.032 0.396) 3.302 4.292 ( 4.875 1.541 -5.506) 7.514 4.419 ( -5.785 -0.106 4.634) 7.413 4.548 ( 6.043 2.479 -1.691) 6.747 4.603 ( 2.262 -1.683 0.774) 2.924 4.750 ( 1.759 0.109 0.590) 1.858 4.821 ( -2.239 2.405 0.105) 3.288 4.943 ( -1.739 -0.008 -1.310) 2.177 5.228 ( 0.051 2.775 5.665) 6.309 5.550 ( -1.280 -0.335 -4.125) 4.332 5.648 ( -0.370 -0.756 4.281) 4.363 5.700 ( 4.479 1.837 -2.590) 5.491 5.822 ( 0.741 -3.406 -1.933) 3.986 5.964 ( -1.668 3.309 -3.120) 4.844 6.166 ( -0.299 0.480 0.546) 0.786 6.232 ( 0.676 3.145 -1.087) 3.396 6.517 ( -2.007 -1.879 2.226) 3.537 6.532 ( -1.510 -1.672 0.978) 2.456 6.748 ( -1.954 -0.408 1.687) 2.614 6.791 ( 1.689 -1.733 -1.265) 2.730 7.393 ( -0.429 3.307 0.781) 3.425 7.439 ( 1.790 1.677 -1.796) 3.040 7.684 ( 0.413 0.025 -2.116) 2.156 7.752 ( -2.496 1.167 -0.388) 2.783 7.829 ( 1.975 -1.645 -0.763) 2.682 7.838 ( 0.705 0.849 -1.379) 1.766 7.931 ( -0.316 0.325 3.375) 3.405 8.111 ( -1.103 -3.026 1.879) 3.728 8.144 ( 1.727 -0.571 -0.537) 1.896 8.164 ( -0.320 -0.602 2.137) 2.243 8.272 ( -1.369 -1.119 0.215) 1.781 8.364 ( -0.651 0.949 -1.992) 2.301 8.988 ( -1.056 -2.383 1.270) 2.899 9.072 ( 0.411 -0.057 1.734) 1.783 9.136 ( -0.103 1.413 -1.710) 2.221 9.166 ( 0.592 -0.810 -2.180) 2.400 11.888 ( -0.476 -0.230 0.458) 0.699 11.922 ( -0.106 0.099 0.280) 0.316 11.947 ( 0.783 -0.587 0.061) 0.980 11.997 ( -0.888 0.021 -1.156) 1.458 15.285 ( 0.228 1.416 0.966) 1.729 15.343 ( 0.286 1.186 -0.304) 1.258 15.518 ( -1.501 -1.149 3.527) 4.001 15.607 ( -0.254 -2.237 3.668) 4.304 15.740 ( 1.187 3.544 0.739) 3.810 15.900 ( -0.624 1.585 -0.884) 1.919 16.028 ( 1.446 -1.376 -4.078) 4.540 16.097 ( 1.312 -1.048 -3.738) 4.098 16.786 ( -2.445 -1.632 3.150) 4.308 16.868 ( 0.510 -2.939 -0.944) 3.128 16.983 ( -0.912 3.334 4.660) 5.802 17.145 ( 1.842 -0.051 -1.522) 2.390 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 1.018 ( -0.121 -3.916 4.976) 6.333 1.144 ( -3.124 9.454 2.599) 10.290 1.232 ( -1.222 -1.219 1.030) 2.010 1.297 ( 0.655 0.446 -1.871) 2.032 1.322 ( 1.082 1.141 -1.022) 1.876 1.431 ( 1.634 -2.756 -3.398) 4.671 1.475 ( -1.586 1.374 -2.852) 3.541 1.542 ( -1.944 -3.900 2.111) 4.842 1.562 ( 4.884 0.954 -6.275) 8.008 1.746 ( 0.398 0.342 -3.064) 3.109 1.778 ( 0.452 0.559 -1.161) 1.365 1.832 ( 1.752 0.700 -5.610) 5.919 1.942 ( -1.331 -2.881 3.644) 4.832 1.963 ( -2.814 -1.988 0.710) 3.518 2.101 ( -0.820 -0.435 -3.060) 3.198 2.162 ( 0.692 -0.716 -4.946) 5.045 2.268 ( 4.327 -2.174 2.603) 5.498 2.397 ( -2.969 -0.270 -1.190) 3.210 2.598 ( -3.138 0.477 -0.564) 3.224 2.619 ( -0.915 4.286 0.858) 4.466 2.683 ( 3.094 -1.641 2.008) 4.037 2.782 ( 1.468 4.267 3.184) 5.523 2.914 ( -3.558 -6.886 -1.293) 7.858 3.078 ( 2.873 1.827 -2.767) 4.388 3.174 ( -1.316 -0.150 5.328) 5.490 3.231 ( -0.687 1.572 2.700) 3.199 3.340 ( -0.795 -1.350 3.186) 3.550 3.492 ( 0.685 -1.906 -1.480) 2.509 3.705 ( -1.687 0.519 2.572) 3.119 3.764 ( -1.931 0.749 1.968) 2.858 3.937 ( 3.417 -3.599 1.575) 5.206 4.061 ( -1.715 3.812 4.105) 5.859 4.154 ( 0.483 -0.839 -4.489) 4.592 4.281 ( 3.800 0.128 -6.398) 7.442 4.380 ( -4.358 2.727 4.387) 6.759 4.528 ( 0.970 2.694 -1.014) 3.037 4.628 ( 2.012 0.880 0.749) 2.320 4.719 ( -2.382 1.456 -2.326) 3.634 4.824 ( 1.667 -0.569 3.275) 3.719 4.934 ( -1.476 -1.456 -1.106) 2.350 5.234 ( -0.929 1.118 6.514) 6.674 5.501 ( -0.806 1.409 -5.452) 5.689 5.667 ( -1.067 0.149 2.308) 2.547 5.704 ( 5.720 1.742 -2.170) 6.361 5.871 ( -1.676 -3.687 -1.423) 4.292 5.918 ( 4.726 0.274 -5.010) 6.893 6.158 ( -0.847 0.573 0.016) 1.022 6.193 ( 0.705 0.543 -1.654) 1.878 6.543 ( -1.821 -1.598 2.791) 3.696 6.560 ( -1.592 -1.650 2.036) 3.067 6.732 ( -3.105 0.643 3.935) 5.054 6.821 ( 0.233 -0.637 0.343) 0.760 7.351 ( -0.541 1.500 0.667) 1.729 7.440 ( 3.578 -0.166 -3.480) 4.994 7.677 ( 0.614 -0.092 -2.079) 2.170 7.714 ( -1.882 0.285 -0.395) 1.944 7.823 ( 1.064 0.655 -2.484) 2.781 7.865 ( 2.184 -1.128 -1.851) 3.077 7.951 ( -1.021 -0.291 4.947) 5.060 8.113 ( 0.716 1.931 -1.415) 2.499 8.158 ( -2.188 -0.380 3.050) 3.773 8.183 ( -0.358 -0.726 1.144) 1.402 8.301 ( 0.587 -2.865 -0.174) 2.930 8.336 ( -0.441 0.924 -1.185) 1.566 9.026 ( -1.046 -2.300 1.623) 3.003 9.085 ( 1.094 0.652 0.040) 1.275 9.101 ( -0.471 1.135 0.356) 1.279 9.173 ( 0.804 -0.958 -3.037) 3.285 11.891 ( -0.294 -0.183 0.629) 0.718 11.922 ( 0.259 -0.017 -0.093) 0.276 11.967 ( 1.210 -0.708 0.238) 1.422 11.982 ( -1.430 -0.004 -0.620) 1.559 15.275 ( 0.473 0.768 0.741) 1.167 15.328 ( 0.022 0.433 -1.157) 1.235 15.535 ( -1.922 -0.475 3.475) 4.000 15.641 ( -0.263 -0.194 1.721) 1.752 15.707 ( -0.847 1.974 2.198) 3.073 15.854 ( -0.763 2.001 -0.798) 2.286 16.050 ( 2.331 -1.447 -2.664) 3.824 16.109 ( 2.725 -1.324 -5.344) 6.143 16.812 ( -2.362 -1.940 3.154) 4.392 16.908 ( 0.990 -2.041 -1.323) 2.626 16.945 ( -2.534 3.277 5.289) 6.718 17.132 ( 1.636 1.884 -3.068) 3.955 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 ( -2.238 11.104 4.277) 12.108 1.117 ( 3.297 1.461 6.690) 7.600 1.239 ( -0.039 -0.085 1.109) 1.113 1.277 ( -1.368 -1.117 -2.850) 3.353 1.321 ( -0.783 -1.324 0.874) 1.769 1.421 ( -0.716 -1.960 -5.414) 5.802 1.480 ( 1.039 -3.819 -1.354) 4.183 1.529 ( -1.889 2.138 -0.302) 2.869 1.670 ( 2.555 -4.437 4.670) 6.930 1.736 ( 0.912 -2.824 -5.527) 6.273 1.781 ( 6.354 1.563 -2.955) 7.180 1.852 ( -0.636 -5.011 -3.633) 6.222 1.955 ( -1.238 -1.414 0.736) 2.018 2.024 ( -0.544 -2.662 4.697) 5.426 2.064 ( 0.367 1.447 -3.984) 4.255 2.181 ( 1.642 -2.288 -2.242) 3.600 2.352 ( 3.649 -1.795 1.320) 4.275 2.371 ( -0.995 -0.148 -1.310) 1.652 2.480 ( -5.171 6.249 -0.111) 8.112 2.555 ( 1.624 5.439 -0.902) 5.748 2.727 ( 2.852 0.480 3.940) 4.887 2.760 ( -0.526 3.983 4.204) 5.815 2.946 ( -5.317 -2.706 -1.987) 6.288 3.058 ( 5.154 1.678 -2.261) 5.873 3.201 ( -2.484 -0.701 2.151) 3.360 3.251 ( -3.390 -2.842 7.706) 8.885 3.347 ( -0.021 -0.159 -1.874) 1.881 3.510 ( 0.143 0.047 -1.590) 1.597 3.699 ( -2.065 -1.613 -0.713) 2.716 3.742 ( -1.457 1.478 1.216) 2.405 3.990 ( -3.810 3.697 6.583) 8.457 4.036 ( 3.487 -1.617 3.229) 5.020 4.121 ( -0.576 1.485 -5.903) 6.114 4.273 ( 3.944 0.392 -7.051) 8.089 4.326 ( -0.435 3.738 4.493) 5.861 4.487 ( -0.577 1.334 -1.931) 2.416 4.619 ( 2.133 2.120 -0.482) 3.045 4.670 ( -0.622 1.699 -3.227) 3.699 4.867 ( 0.057 -1.458 3.378) 3.679 4.957 ( -1.574 -3.887 -0.506) 4.223 5.230 ( -4.024 0.848 4.580) 6.156 5.460 ( 3.270 1.050 -3.786) 5.112 5.659 ( -1.648 0.013 0.521) 1.728 5.708 ( 3.469 1.784 -0.864) 3.995 5.898 ( 2.017 -0.890 -1.021) 2.430 5.954 ( 1.429 -3.802 -5.479) 6.820 6.144 ( -0.748 0.397 1.661) 1.865 6.207 ( 0.666 -2.354 -1.778) 3.024 6.559 ( -1.188 0.501 2.146) 2.504 6.571 ( -1.562 -0.626 1.871) 2.517 6.732 ( -2.501 -0.579 4.500) 5.180 6.817 ( -0.582 1.049 0.301) 1.237 7.350 ( 0.009 -1.202 0.773) 1.429 7.457 ( 2.735 -1.492 -4.957) 5.854 7.673 ( -1.148 -1.191 -0.782) 1.830 7.717 ( 0.222 -0.782 1.109) 1.375 7.807 ( 1.298 0.584 -2.585) 2.951 7.882 ( 1.969 -0.454 -2.740) 3.404 7.963 ( -1.934 0.411 3.159) 3.727 8.074 ( 0.855 2.250 -1.321) 2.746 8.153 ( -1.618 1.311 3.199) 3.817 8.184 ( -1.165 0.641 0.934) 1.625 8.315 ( -0.250 0.867 0.134) 0.912 8.355 ( 0.725 -3.062 -0.444) 3.178 9.047 ( -1.285 0.345 2.217) 2.586 9.081 ( -0.852 -0.950 -1.089) 1.678 9.096 ( 1.295 0.286 0.426) 1.393 9.173 ( 1.217 0.098 -2.531) 2.810 11.895 ( -0.265 -0.173 0.686) 0.755 11.924 ( 0.513 -0.003 -0.521) 0.731 11.966 ( -1.689 0.043 0.028) 1.690 11.991 ( 1.210 -0.705 0.297) 1.431 15.276 ( 0.340 0.181 0.615) 0.726 15.317 ( 0.217 0.014 -1.755) 1.768 15.543 ( -1.998 -0.227 3.308) 3.871 15.626 ( -2.331 2.077 1.763) 3.585 15.688 ( -1.233 -0.008 0.574) 1.360 15.831 ( 2.087 1.339 -0.164) 2.485 16.078 ( 1.902 -1.204 -1.260) 2.580 16.118 ( 2.507 -1.022 -5.803) 6.403 16.839 ( -2.318 -1.662 2.991) 4.133 16.897 ( -3.598 2.742 4.701) 6.524 16.930 ( 0.884 -0.220 -1.070) 1.405 17.088 ( 2.549 3.179 -3.300) 5.244 ======================= Grid point 124 (63/88) ======================= q-point: (-0.57 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.923 ( -11.142 0.000 11.714) 16.166 1.145 ( -0.191 0.000 5.305) 5.309 1.165 ( 5.880 -0.000 -7.508) 9.536 1.260 ( -8.773 0.000 3.366) 9.396 1.326 ( 0.289 -0.000 1.924) 1.945 1.445 ( -1.136 0.000 2.336) 2.597 1.513 ( -0.314 0.000 -3.500) 3.514 1.567 ( -0.634 0.000 -3.717) 3.770 1.611 ( -1.132 0.000 -4.862) 4.992 1.761 ( -0.819 0.000 -1.374) 1.600 1.890 ( 3.312 -0.000 -3.849) 5.078 1.956 ( 0.495 -0.000 -2.295) 2.347 1.958 ( -3.794 0.000 -3.493) 5.157 1.980 ( 0.357 -0.000 -3.842) 3.858 2.072 ( -3.413 0.000 5.820) 6.747 2.154 ( 3.498 -0.000 1.928) 3.994 2.274 ( -4.624 0.000 -2.343) 5.184 2.278 ( 8.004 -0.000 -7.532) 10.991 2.484 ( -1.740 0.000 -4.748) 5.057 2.563 ( -0.076 0.000 0.029) 0.082 2.605 ( -0.306 0.000 -5.483) 5.491 2.697 ( 0.738 -0.000 1.092) 1.318 2.908 ( 3.279 -0.000 6.952) 7.687 3.166 ( 1.876 -0.000 -1.855) 2.638 3.258 ( -4.914 0.000 2.783) 5.647 3.278 ( 2.863 -0.000 -0.549) 2.915 3.316 ( 1.838 -0.000 2.433) 3.050 3.403 ( -3.491 0.000 5.302) 6.348 3.743 ( -3.524 0.000 4.615) 5.807 3.792 ( 1.546 -0.000 0.397) 1.596 3.826 ( 1.857 -0.000 -1.385) 2.316 3.998 ( -0.188 0.000 -2.674) 2.681 4.096 ( -3.747 0.000 7.970) 8.806 4.350 ( 7.284 -0.000 -5.886) 9.365 4.394 ( -8.129 0.000 6.027) 10.119 4.553 ( 4.942 -0.000 5.247) 7.208 4.593 ( 7.812 -0.000 -2.481) 8.196 4.757 ( 4.490 -0.000 -2.258) 5.025 4.865 ( -1.984 0.000 -3.017) 3.611 4.943 ( -3.507 0.000 -0.438) 3.534 5.338 ( 1.520 -0.000 1.989) 2.503 5.502 ( -3.190 0.000 0.702) 3.266 5.626 ( -1.959 0.000 3.593) 4.093 5.720 ( 4.121 -0.000 -2.882) 5.029 5.803 ( 2.481 -0.000 0.808) 2.609 6.009 ( -9.200 0.000 -0.029) 9.200 6.223 ( -0.449 0.000 4.120) 4.145 6.248 ( 0.569 -0.000 1.847) 1.932 6.498 ( -0.600 0.000 -3.267) 3.321 6.571 ( 2.801 -0.000 -5.905) 6.535 6.632 ( -0.052 0.000 2.479) 2.480 6.781 ( 1.903 -0.000 -3.253) 3.769 7.454 ( 1.806 -0.000 -0.160) 1.813 7.525 ( -2.905 0.000 1.985) 3.518 7.643 ( -1.967 0.000 0.871) 2.151 7.786 ( -1.271 0.000 -3.658) 3.873 7.807 ( 1.833 -0.000 0.485) 1.896 7.887 ( -0.234 0.000 -1.356) 1.376 7.962 ( 0.383 -0.000 3.545) 3.566 7.977 ( -0.873 0.000 1.937) 2.124 8.129 ( 0.623 -0.000 0.254) 0.673 8.151 ( 3.062 -0.000 -0.111) 3.065 8.254 ( -2.459 0.000 1.631) 2.951 8.381 ( -1.301 0.000 -2.495) 2.813 8.945 ( -1.754 0.000 2.395) 2.969 9.072 ( -0.326 0.000 2.002) 2.029 9.123 ( 1.207 -0.000 -3.388) 3.597 9.185 ( 0.020 -0.000 -1.751) 1.751 11.882 ( -0.733 0.000 0.577) 0.933 11.928 ( -0.320 0.000 0.883) 0.939 11.933 ( 0.583 -0.000 -0.484) 0.758 11.997 ( -0.578 0.000 -1.782) 1.874 15.329 ( 0.912 -0.000 0.819) 1.226 15.380 ( 0.385 -0.000 -0.160) 0.417 15.511 ( -1.275 0.000 4.136) 4.328 15.518 ( -0.091 0.000 5.463) 5.463 15.853 ( 3.054 -0.000 0.788) 3.154 15.889 ( 3.314 -0.000 -3.997) 5.192 16.009 ( -2.663 0.000 -2.334) 3.541 16.071 ( -1.762 0.000 -2.525) 3.079 16.775 ( -0.631 0.000 1.765) 1.874 16.790 ( -0.717 0.000 0.477) 0.861 17.074 ( 1.783 -0.000 2.105) 2.759 17.110 ( -0.162 0.000 2.084) 2.090 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.898 ( -9.096 -1.346 10.592) 14.026 1.123 ( -9.028 -2.141 -3.246) 9.830 1.199 ( 3.923 -3.201 -8.276) 9.702 1.272 ( -0.297 -2.857 1.891) 3.439 1.359 ( -1.389 -1.707 6.818) 7.164 1.422 ( 0.250 2.491 -0.590) 2.572 1.494 ( 0.117 1.566 -2.135) 2.651 1.545 ( -1.290 -0.977 1.245) 2.041 1.579 ( -2.275 -0.938 -3.580) 4.344 1.747 ( 1.520 1.338 -3.901) 4.395 1.838 ( -4.068 2.723 -2.700) 5.590 1.877 ( 0.832 2.523 -1.218) 2.923 1.952 ( 2.400 2.321 -3.757) 5.026 1.979 ( -1.291 -0.061 -0.788) 1.513 2.068 ( -1.043 -0.406 1.204) 1.644 2.170 ( 1.519 1.168 -4.647) 5.027 2.227 ( 1.312 0.469 2.984) 3.293 2.382 ( 3.500 -3.609 -1.005) 5.127 2.432 ( -1.930 -2.366 -2.142) 3.730 2.572 ( -2.415 -3.324 0.080) 4.110 2.629 ( -0.464 -5.612 -6.682) 8.738 2.705 ( -0.481 -0.655 -0.547) 0.979 2.966 ( 3.022 1.650 6.031) 6.944 3.146 ( 1.213 3.909 -1.379) 4.319 3.226 ( -1.287 -0.451 2.665) 2.994 3.269 ( 2.537 2.731 -2.203) 4.330 3.346 ( -1.710 1.874 5.971) 6.487 3.428 ( 0.554 -2.871 2.007) 3.547 3.734 ( -3.517 0.800 4.580) 5.830 3.793 ( -0.613 1.294 1.901) 2.380 3.851 ( 3.183 -1.467 -0.341) 3.521 4.025 ( 0.599 -4.997 -3.572) 6.171 4.112 ( -3.595 -0.676 5.999) 7.026 4.349 ( 5.391 2.780 -4.708) 7.678 4.366 ( -7.625 -1.231 4.045) 8.719 4.629 ( 4.292 0.366 2.474) 4.968 4.632 ( 6.916 1.160 -1.085) 7.096 4.753 ( 0.672 0.365 -5.276) 5.331 4.845 ( 0.108 1.177 2.303) 2.588 4.916 ( -2.220 -0.422 -1.083) 2.506 5.316 ( -0.250 4.308 4.720) 6.395 5.496 ( -2.883 -1.959 -2.077) 4.057 5.642 ( -1.507 -1.468 2.886) 3.571 5.740 ( 3.849 -0.037 -2.633) 4.664 5.819 ( 2.243 1.760 1.303) 3.135 5.940 ( -5.121 -0.473 -1.271) 5.297 6.200 ( -0.477 2.742 2.518) 3.753 6.278 ( 1.000 1.070 0.814) 1.675 6.481 ( -0.753 -1.043 -1.452) 1.940 6.526 ( 0.660 1.559 -1.324) 2.150 6.701 ( 0.276 -4.437 -0.391) 4.463 6.783 ( 1.844 -0.338 -2.321) 2.984 7.451 ( -0.304 3.417 1.730) 3.842 7.482 ( 0.632 2.199 0.523) 2.347 7.657 ( -0.266 -1.775 -0.809) 1.969 7.739 ( -1.911 1.099 -3.742) 4.343 7.829 ( 1.821 -0.514 0.398) 1.933 7.861 ( 0.202 1.732 -0.247) 1.761 7.954 ( -0.377 0.961 3.117) 3.283 8.047 ( -0.897 -4.576 2.799) 5.439 8.142 ( 1.090 -1.302 -1.593) 2.328 8.177 ( 2.436 -0.003 -0.006) 2.436 8.248 ( -1.935 -0.282 1.969) 2.775 8.352 ( -1.395 0.290 -2.204) 2.625 8.958 ( -1.270 -1.452 2.477) 3.139 9.084 ( 0.350 -0.163 2.019) 2.055 9.121 ( 1.142 -0.894 -3.715) 3.988 9.164 ( -0.433 1.032 -1.549) 1.911 11.883 ( -0.571 -0.274 0.833) 1.047 11.927 ( 0.201 0.340 0.242) 0.464 11.944 ( 0.669 -0.700 0.105) 0.974 11.981 ( -0.877 -0.022 -1.732) 1.941 15.323 ( 0.581 1.983 1.196) 2.387 15.368 ( 0.267 1.473 -0.626) 1.622 15.522 ( -0.617 -0.165 4.750) 4.792 15.583 ( -0.313 -2.812 4.361) 5.198 15.820 ( 1.762 4.534 -0.391) 4.880 15.906 ( 0.064 0.644 -2.534) 2.616 15.990 ( 0.053 -1.989 -2.044) 2.852 16.056 ( -0.627 -1.801 -3.488) 3.975 16.773 ( -0.836 -0.099 2.177) 2.334 16.822 ( 0.480 -2.826 -0.153) 2.870 17.057 ( -0.653 3.510 3.796) 5.211 17.140 ( 0.381 -1.324 0.121) 1.383 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.939 ( -6.351 -5.561 6.428) 10.610 1.081 ( -10.756 -6.024 -2.239) 12.530 1.193 ( -2.219 -0.026 -4.272) 4.814 1.326 ( 1.159 0.274 4.033) 4.205 1.389 ( 1.423 2.274 1.269) 2.968 1.404 ( 4.497 -1.111 -4.462) 6.432 1.489 ( -2.050 -2.108 4.163) 5.096 1.528 ( 0.626 5.180 0.546) 5.246 1.553 ( 0.696 -0.891 -5.872) 5.980 1.711 ( 1.378 1.076 -5.752) 6.012 1.763 ( -2.635 -0.127 -1.272) 2.928 1.889 ( -3.540 -2.603 3.790) 5.803 1.908 ( 6.282 3.126 -4.209) 8.183 1.955 ( -0.494 1.455 2.054) 2.565 2.079 ( 1.939 -0.269 -2.127) 2.890 2.133 ( 1.216 0.054 -5.130) 5.272 2.287 ( 2.919 -1.909 3.801) 5.158 2.355 ( -3.352 -0.052 -2.179) 3.999 2.539 ( -3.703 -5.417 2.331) 6.963 2.614 ( -0.135 -1.987 0.003) 1.992 2.657 ( 0.053 -3.692 -2.512) 4.466 2.736 ( -1.284 -5.938 -3.380) 6.952 2.949 ( 1.609 6.368 4.058) 7.721 3.101 ( 1.119 1.511 -0.802) 2.044 3.221 ( 1.112 3.006 1.460) 3.522 3.268 ( 1.198 0.589 -0.309) 1.371 3.326 ( -3.043 -0.444 5.433) 6.243 3.479 ( 1.553 -0.804 0.303) 1.774 3.704 ( -4.618 1.115 2.517) 5.376 3.781 ( -0.648 1.212 3.127) 3.415 3.921 ( 3.018 -3.348 1.758) 4.838 4.096 ( 2.227 -4.567 -5.516) 7.500 4.108 ( -3.373 1.226 3.848) 5.262 4.311 ( 5.133 3.472 -5.869) 8.535 4.353 ( -7.137 -2.233 4.489) 8.722 4.598 ( 0.695 5.072 0.135) 5.121 4.675 ( 4.170 1.241 1.196) 4.513 4.710 ( -0.908 1.146 -4.537) 4.767 4.860 ( 2.090 0.393 3.589) 4.172 4.902 ( -1.127 -0.442 -1.575) 1.987 5.280 ( -3.431 2.482 6.424) 7.694 5.483 ( 0.208 -0.224 -3.492) 3.505 5.664 ( -1.657 -0.967 1.181) 2.253 5.756 ( 4.222 0.320 -2.455) 4.895 5.804 ( -2.791 -0.637 -0.905) 3.003 5.936 ( 4.672 -0.097 -2.252) 5.187 6.168 ( -1.329 1.664 0.982) 2.345 6.235 ( 2.124 4.228 -1.835) 5.075 6.511 ( -1.681 -3.028 2.260) 4.135 6.529 ( -0.196 -1.200 1.118) 1.652 6.731 ( -1.980 -0.298 1.464) 2.480 6.808 ( 1.618 -1.718 -1.002) 2.564 7.384 ( -1.631 3.309 0.766) 3.768 7.477 ( 3.777 2.036 -0.609) 4.334 7.670 ( 0.916 0.112 -2.441) 2.609 7.691 ( -1.335 -0.245 -1.988) 2.407 7.836 ( 0.764 0.990 -0.932) 1.559 7.864 ( 2.203 -0.621 -0.390) 2.322 7.956 ( -2.568 -0.096 4.129) 4.863 8.117 ( -0.705 -3.235 1.871) 3.803 8.156 ( 1.837 1.038 -2.198) 3.046 8.183 ( -0.521 0.113 2.146) 2.211 8.264 ( -0.075 -2.088 0.362) 2.120 8.329 ( -0.829 0.147 -1.354) 1.595 8.992 ( -1.069 -2.079 2.437) 3.378 9.097 ( 0.454 0.169 -0.890) 1.013 9.118 ( 0.416 0.839 -0.423) 1.027 9.150 ( 1.052 -1.021 -1.919) 2.416 11.889 ( -0.359 -0.304 0.891) 1.008 11.925 ( 0.438 0.180 -0.201) 0.514 11.963 ( -0.711 -0.445 -0.334) 0.903 11.967 ( 0.448 -0.559 -0.446) 0.844 15.303 ( 0.293 1.661 1.145) 2.039 15.341 ( 0.523 1.491 -1.044) 1.894 15.542 ( -1.206 0.202 4.396) 4.563 15.630 ( -0.987 -1.435 1.559) 2.337 15.761 ( -0.789 4.032 1.618) 4.415 15.864 ( -1.242 1.078 -1.228) 2.053 16.029 ( 2.148 -2.109 -1.661) 3.438 16.072 ( 2.222 -2.202 -5.545) 6.367 16.790 ( -0.939 -1.153 2.649) 3.038 16.871 ( 1.090 -2.746 -0.824) 3.067 17.011 ( -2.320 3.732 4.750) 6.471 17.146 ( 0.735 0.505 -1.846) 2.051 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 1.004 ( -6.467 -4.353 1.926) 8.030 1.095 ( -8.540 -6.617 1.887) 10.967 1.178 ( -0.208 -2.118 1.210) 2.448 1.307 ( 0.981 4.746 0.375) 4.860 1.356 ( 2.897 3.466 -0.687) 4.569 1.408 ( -1.760 3.015 -1.357) 3.745 1.446 ( 5.477 -0.992 -3.692) 6.679 1.545 ( -0.263 0.723 -0.450) 0.891 1.628 ( 3.935 -7.085 1.904) 8.325 1.664 ( -0.389 -0.752 -4.457) 4.537 1.771 ( 0.360 -1.950 -3.373) 3.912 1.865 ( 4.871 3.348 -2.127) 6.281 1.940 ( -1.745 -0.137 2.368) 2.945 1.987 ( -0.533 -3.977 4.427) 5.975 2.085 ( 4.302 0.969 -2.940) 5.300 2.146 ( 2.827 -2.565 -2.714) 4.684 2.329 ( -2.014 -1.097 -2.344) 3.279 2.361 ( 1.920 -2.394 1.761) 3.538 2.507 ( -5.517 3.051 1.618) 6.508 2.621 ( -1.050 0.724 0.172) 1.287 2.725 ( 0.001 -2.144 0.867) 2.313 2.808 ( -2.173 -6.321 -2.214) 7.041 2.893 ( 2.367 4.807 4.331) 6.889 3.084 ( 2.140 0.403 -4.712) 5.191 3.193 ( -3.922 1.387 5.286) 6.726 3.253 ( -0.894 0.785 3.093) 3.314 3.346 ( -0.761 0.332 0.063) 0.833 3.496 ( 1.657 -0.659 -1.317) 2.217 3.668 ( -3.929 -0.148 1.923) 4.376 3.763 ( -0.547 2.534 0.845) 2.727 4.000 ( -2.987 -2.117 5.798) 6.857 4.071 ( -1.350 0.846 0.391) 1.640 4.122 ( 4.284 0.661 -5.196) 6.767 4.281 ( 4.066 1.330 -5.161) 6.704 4.362 ( -2.984 -1.434 3.637) 4.918 4.519 ( -1.203 4.223 0.658) 4.440 4.653 ( -1.589 1.449 -2.157) 3.046 4.688 ( 3.353 1.943 0.021) 3.876 4.881 ( 0.034 0.592 0.100) 0.601 4.909 ( 0.890 -1.370 1.400) 2.152 5.235 ( -6.485 2.055 4.764) 8.305 5.483 ( 3.981 -0.061 -2.655) 4.786 5.653 ( -0.963 0.563 -0.795) 1.370 5.756 ( 1.792 1.875 -2.223) 3.416 5.822 ( -0.375 -5.082 -2.233) 5.563 5.959 ( 5.241 1.605 -3.783) 6.660 6.147 ( -0.778 -0.095 0.986) 1.259 6.196 ( 1.645 1.397 -1.323) 2.532 6.549 ( -0.891 -1.488 2.236) 2.830 6.557 ( -1.785 -1.456 2.554) 3.439 6.725 ( -2.851 -0.209 3.817) 4.769 6.828 ( -0.056 0.116 0.464) 0.482 7.345 ( -0.573 0.671 0.012) 0.882 7.466 ( 3.603 1.954 -3.437) 5.349 7.648 ( -0.693 -0.128 -1.174) 1.369 7.709 ( 1.341 -1.321 -0.038) 1.882 7.822 ( 1.421 1.028 -1.486) 2.299 7.881 ( 2.055 -0.130 -2.202) 3.015 7.954 ( -3.764 -0.195 2.846) 4.723 8.121 ( 1.344 2.724 -0.626) 3.102 8.156 ( -1.850 -1.219 2.605) 3.419 8.193 ( -0.179 0.210 1.130) 1.163 8.309 ( 0.554 -3.095 -0.456) 3.178 8.316 ( -0.320 0.203 -0.487) 0.618 9.028 ( -1.284 -1.919 2.251) 3.225 9.077 ( -0.363 0.896 -0.965) 1.366 9.109 ( 0.072 0.497 -0.336) 0.605 9.174 ( 2.734 -0.509 -1.744) 3.283 11.894 ( -0.343 -0.149 0.789) 0.873 11.925 ( 0.574 0.030 -0.781) 0.970 11.951 ( -1.325 -0.128 -0.112) 1.335 11.990 ( 0.923 -0.853 0.358) 1.306 15.288 ( -0.164 0.898 0.110) 0.920 15.324 ( 1.203 0.955 -0.720) 1.696 15.547 ( -1.740 0.304 3.886) 4.268 15.633 ( -1.805 0.152 0.362) 1.847 15.700 ( -2.040 2.680 1.342) 3.626 15.854 ( 0.265 -0.143 0.822) 0.875 16.066 ( 1.884 -1.581 -1.546) 2.905 16.090 ( 3.582 -1.099 -6.487) 7.491 16.818 ( -1.010 -1.356 2.835) 3.301 16.905 ( -0.366 -0.723 0.064) 0.813 16.960 ( -2.164 2.911 4.002) 5.401 17.123 ( 1.697 1.429 -3.131) 3.838 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.859 ( -12.990 0.000 13.980) 19.083 0.966 ( -14.378 0.000 -6.451) 15.759 1.181 ( 5.865 -0.000 -5.858) 8.290 1.263 ( 1.195 -0.000 1.665) 2.049 1.371 ( -2.390 0.000 9.201) 9.506 1.447 ( -3.280 0.000 4.996) 5.977 1.481 ( -0.889 0.000 -1.397) 1.656 1.523 ( 0.838 -0.000 -2.905) 3.023 1.533 ( -4.119 0.000 -0.703) 4.178 1.754 ( 1.906 -0.000 -1.578) 2.474 1.811 ( -5.303 0.000 -1.491) 5.508 1.923 ( 1.327 -0.000 -4.150) 4.357 1.957 ( 5.602 -0.000 -4.319) 7.074 1.983 ( 3.274 -0.000 -2.284) 3.992 2.048 ( -4.058 0.000 3.091) 5.101 2.191 ( 3.301 -0.000 -3.726) 4.978 2.256 ( -1.676 0.000 5.937) 6.169 2.383 ( -4.204 0.000 -2.488) 4.885 2.404 ( 8.842 -0.000 0.747) 8.873 2.453 ( -6.899 0.000 -4.455) 8.212 2.576 ( 2.260 -0.000 -4.282) 4.842 2.689 ( -1.619 0.000 -1.482) 2.195 3.033 ( 2.713 -0.000 4.373) 5.147 3.184 ( 3.255 -0.000 -2.812) 4.302 3.223 ( -2.710 0.000 2.852) 3.934 3.303 ( 2.303 -0.000 -2.229) 3.205 3.400 ( -2.123 0.000 2.406) 3.208 3.405 ( 3.563 -0.000 3.014) 4.666 3.728 ( -5.138 0.000 3.650) 6.302 3.815 ( -0.065 0.000 0.738) 0.741 3.855 ( 0.113 -0.000 3.263) 3.265 3.965 ( 1.154 -0.000 -3.812) 3.983 4.108 ( -3.157 0.000 5.305) 6.174 4.304 ( -9.028 0.000 4.969) 10.305 4.402 ( 7.003 -0.000 -6.709) 9.698 4.684 ( 3.809 -0.000 4.071) 5.575 4.691 ( 3.561 -0.000 -0.854) 3.661 4.727 ( 3.141 -0.000 -8.573) 9.130 4.882 ( -2.391 0.000 -1.441) 2.792 4.883 ( 1.855 -0.000 3.367) 3.844 5.392 ( 0.610 -0.000 3.678) 3.728 5.425 ( -5.086 0.000 -0.043) 5.086 5.626 ( -1.711 0.000 1.271) 2.132 5.746 ( 1.252 -0.000 -1.853) 2.236 5.860 ( -5.597 0.000 -1.296) 5.745 5.903 ( 4.805 -0.000 3.977) 6.238 6.240 ( -2.158 0.000 2.862) 3.585 6.297 ( 1.703 -0.000 2.980) 3.433 6.460 ( 0.294 -0.000 -2.610) 2.626 6.546 ( 2.705 -0.000 -6.246) 6.807 6.654 ( 0.109 -0.000 1.195) 1.200 6.782 ( 2.223 -0.000 -3.000) 3.734 7.480 ( -3.906 0.000 0.600) 3.952 7.522 ( 3.483 -0.000 3.481) 4.924 7.643 ( 1.115 -0.000 0.682) 1.307 7.712 ( -0.805 0.000 -4.491) 4.562 7.844 ( 1.497 -0.000 0.405) 1.551 7.874 ( 0.135 -0.000 -0.827) 0.838 7.986 ( -1.166 0.000 2.326) 2.602 8.012 ( 0.329 -0.000 3.902) 3.916 8.113 ( -0.822 0.000 -2.752) 2.872 8.193 ( 3.352 -0.000 -2.751) 4.336 8.258 ( -0.797 0.000 4.002) 4.081 8.330 ( -1.477 0.000 -1.432) 2.057 8.952 ( -1.319 0.000 3.196) 3.458 9.097 ( 0.277 -0.000 2.271) 2.288 9.101 ( 1.120 -0.000 -3.829) 3.990 9.159 ( -0.390 0.000 -2.173) 2.207 11.881 ( -0.577 0.000 1.150) 1.287 11.938 ( 0.794 -0.000 -0.611) 1.002 11.940 ( 0.429 -0.000 0.955) 1.047 11.963 ( -0.871 0.000 -1.801) 2.000 15.355 ( 0.790 -0.000 0.818) 1.137 15.375 ( -0.120 0.000 -1.021) 1.028 15.539 ( -1.568 0.000 4.554) 4.816 15.595 ( 1.746 -0.000 4.862) 5.166 15.881 ( 1.569 -0.000 -4.717) 4.971 15.890 ( 1.169 -0.000 -3.395) 3.591 15.957 ( -0.976 0.000 1.739) 1.994 16.005 ( -2.700 0.000 -1.596) 3.136 16.790 ( 0.144 -0.000 0.401) 0.426 16.794 ( 0.859 -0.000 1.060) 1.364 17.102 ( -2.639 0.000 1.055) 2.842 17.128 ( 1.280 -0.000 2.881) 3.152 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.831 ( -13.225 -3.111 2.729) 13.857 0.865 ( -13.762 -4.728 7.207) 16.238 1.181 ( 1.949 1.496 -2.624) 3.594 1.325 ( 2.048 -4.459 2.860) 5.679 1.410 ( 0.268 0.419 0.209) 0.540 1.418 ( -2.624 0.421 5.703) 6.292 1.484 ( -2.566 0.475 1.264) 2.900 1.517 ( 1.730 -0.205 -3.193) 3.638 1.549 ( -3.437 -5.137 6.476) 8.952 1.733 ( -5.718 2.701 0.974) 6.398 1.742 ( 4.350 2.939 -5.643) 7.707 1.887 ( 0.942 2.455 -1.127) 2.861 1.951 ( 3.729 0.876 -3.416) 5.133 2.001 ( 2.296 1.711 0.703) 2.949 2.074 ( 2.578 -2.659 -1.278) 3.917 2.163 ( 2.671 3.775 -2.185) 5.114 2.291 ( -0.665 -2.016 4.130) 4.644 2.318 ( -3.128 0.868 -3.280) 4.615 2.421 ( -5.866 -5.019 -0.449) 7.733 2.536 ( 3.715 -6.325 0.715) 7.370 2.598 ( 1.928 -2.184 -3.477) 4.536 2.665 ( -1.841 -1.241 -2.502) 3.345 3.050 ( 1.595 2.765 2.517) 4.065 3.152 ( 0.513 4.113 -1.253) 4.330 3.245 ( 1.581 -2.662 -1.198) 3.319 3.289 ( 2.676 2.492 -1.389) 3.911 3.358 ( -3.606 3.545 4.074) 6.494 3.478 ( 2.914 -2.273 1.208) 3.887 3.693 ( -5.630 0.540 2.719) 6.275 3.809 ( -0.708 0.615 2.249) 2.437 3.899 ( -0.646 -2.807 2.455) 3.785 3.991 ( 0.855 -4.508 -4.564) 6.471 4.116 ( -1.963 -0.041 4.598) 5.000 4.276 ( -6.966 -2.178 3.535) 8.109 4.386 ( 5.733 3.706 -6.437) 9.383 4.668 ( -0.759 1.631 -3.460) 3.899 4.695 ( 1.790 3.366 -3.655) 5.281 4.740 ( 3.968 0.167 1.875) 4.392 4.868 ( -1.216 -1.322 -1.991) 2.681 4.917 ( 3.539 0.986 3.274) 4.921 5.328 ( -4.928 4.117 4.134) 7.637 5.452 ( -0.031 -2.285 -0.405) 2.320 5.630 ( -1.628 -1.427 0.631) 2.255 5.745 ( -1.877 -0.893 0.152) 2.085 5.800 ( 0.099 1.890 -2.727) 3.320 5.975 ( 4.688 -0.713 2.473) 5.349 6.200 ( -2.270 3.282 1.799) 4.378 6.313 ( 2.667 3.039 -0.757) 4.114 6.464 ( -0.537 -2.073 0.729) 2.262 6.530 ( 2.332 0.088 -2.487) 3.411 6.696 ( -0.430 -3.032 -0.085) 3.064 6.791 ( 2.004 -1.059 -2.192) 3.154 7.422 ( -2.766 2.944 0.123) 4.041 7.553 ( 3.538 2.561 2.259) 4.918 7.671 ( 2.325 -0.661 0.694) 2.514 7.676 ( -0.110 1.118 -3.076) 3.275 7.848 ( 0.372 0.473 -0.412) 0.729 7.875 ( 1.415 -0.126 -0.232) 1.439 7.964 ( -2.335 1.678 2.333) 3.703 8.069 ( -0.608 -3.305 2.816) 4.384 8.124 ( 0.545 -3.483 -2.874) 4.549 8.202 ( 1.798 -0.076 -3.366) 3.817 8.259 ( -1.032 1.429 3.742) 4.136 8.321 ( 0.019 -0.183 0.156) 0.241 8.972 ( -1.051 -1.380 3.366) 3.786 9.089 ( 0.629 -0.036 -2.989) 3.055 9.125 ( 1.114 -0.921 0.537) 1.542 9.138 ( -0.038 0.053 -1.381) 1.382 11.886 ( -0.435 -0.311 1.206) 1.319 11.933 ( 0.633 0.513 -0.836) 1.168 11.948 ( -0.774 -0.039 -0.637) 1.003 11.960 ( 0.730 -0.926 0.427) 1.254 15.343 ( 0.182 2.195 0.683) 2.306 15.360 ( 0.239 0.945 -1.118) 1.483 15.559 ( -1.384 -0.679 4.011) 4.297 15.621 ( 0.144 0.793 1.684) 1.867 15.825 ( -0.552 3.920 -0.917) 4.064 15.855 ( -1.894 0.886 -2.146) 2.996 16.002 ( 1.489 -2.755 0.692) 3.207 16.015 ( 1.222 -3.302 -3.231) 4.778 16.790 ( 0.346 -0.075 1.342) 1.388 16.836 ( 1.436 -2.564 -0.302) 2.954 17.061 ( -3.140 2.388 2.259) 4.546 17.150 ( 0.718 0.465 0.322) 0.914 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.828 ( -12.939 -8.372 5.229) 16.274 0.901 ( -9.720 -7.069 6.123) 13.488 1.175 ( 1.783 -0.380 0.138) 1.828 1.377 ( 0.217 2.291 1.576) 2.790 1.402 ( -2.224 0.729 0.794) 2.472 1.417 ( 1.546 -0.380 -2.962) 3.363 1.499 ( 3.169 1.404 -0.044) 3.467 1.535 ( -0.956 -1.592 3.517) 3.977 1.586 ( 1.392 -1.138 3.270) 3.732 1.676 ( 3.571 3.880 -6.922) 8.702 1.730 ( 0.107 -3.409 -1.145) 3.598 1.873 ( -2.594 -1.186 3.544) 4.549 1.965 ( 2.302 -0.913 -0.416) 2.511 1.994 ( 2.054 3.156 2.234) 4.378 2.126 ( 3.854 -0.262 -3.637) 5.305 2.135 ( 4.739 0.308 0.618) 4.789 2.275 ( -2.626 -1.016 -2.884) 4.030 2.341 ( 0.210 -2.119 0.341) 2.157 2.458 ( -6.308 -4.592 2.873) 8.314 2.597 ( -2.023 -0.988 -0.666) 2.348 2.673 ( 1.990 -6.296 1.698) 6.818 2.689 ( -0.685 -3.529 -2.755) 4.529 3.014 ( 1.828 4.691 2.303) 5.536 3.082 ( 0.408 2.419 -5.053) 5.617 3.244 ( -3.887 4.886 5.058) 8.035 3.264 ( 2.030 -0.012 -3.912) 4.407 3.336 ( -0.645 -1.102 2.757) 3.039 3.514 ( 2.323 0.780 -0.586) 2.519 3.656 ( -3.420 0.675 2.579) 4.336 3.805 ( 0.523 1.564 0.602) 1.756 3.947 ( -4.875 -3.810 4.256) 7.510 4.028 ( -1.052 -2.686 -4.954) 5.732 4.140 ( 2.586 -0.628 1.893) 3.266 4.293 ( -4.387 -4.028 2.193) 6.347 4.333 ( 4.104 3.614 -4.980) 7.396 4.590 ( -0.804 5.161 -0.868) 5.295 4.635 ( -1.768 0.920 -3.627) 4.138 4.762 ( 3.307 2.367 1.872) 4.477 4.857 ( -1.363 -0.616 -3.492) 3.798 4.956 ( 4.260 1.072 3.368) 5.535 5.243 ( -6.849 3.308 4.286) 8.731 5.484 ( 2.112 -1.735 -1.714) 3.226 5.640 ( -1.098 -0.992 -0.356) 1.522 5.737 ( -2.094 -0.126 -0.907) 2.286 5.787 ( 2.373 -0.782 -2.113) 3.273 6.022 ( 5.715 1.701 -1.452) 6.137 6.147 ( -2.355 1.149 1.810) 3.184 6.257 ( 2.578 4.563 -2.239) 5.699 6.513 ( -1.599 -3.137 3.018) 4.638 6.548 ( 1.347 -0.622 0.186) 1.495 6.717 ( -1.589 -0.618 1.547) 2.302 6.819 ( 0.864 -1.419 -0.843) 1.863 7.361 ( -1.035 2.249 -0.343) 2.499 7.529 ( 3.211 3.997 -1.793) 5.432 7.647 ( 0.598 0.917 -0.697) 1.298 7.707 ( 1.981 -0.748 0.761) 2.250 7.840 ( 0.955 0.657 -0.948) 1.497 7.886 ( 1.403 0.178 -1.604) 2.139 7.936 ( -3.292 0.193 2.083) 3.900 8.121 ( -1.619 -2.767 1.975) 3.766 8.159 ( 1.738 0.729 -3.142) 3.664 8.188 ( -1.083 -0.693 1.118) 1.703 8.265 ( -0.667 -1.835 1.074) 2.228 8.328 ( 1.239 0.664 0.700) 1.570 9.006 ( -1.175 -1.548 3.347) 3.870 9.074 ( 0.133 0.278 -2.477) 2.496 9.115 ( 0.104 0.639 -0.690) 0.946 9.176 ( 2.799 -1.549 -1.045) 3.366 11.893 ( -0.429 -0.185 0.970) 1.077 11.924 ( 0.123 0.111 -1.232) 1.243 11.944 ( 0.042 0.077 0.300) 0.313 11.984 ( 0.516 -0.981 0.472) 1.205 15.307 ( -0.473 2.019 -0.461) 2.124 15.347 ( 1.136 0.844 -0.379) 1.465 15.567 ( -1.616 0.881 3.650) 4.088 15.611 ( -1.470 -0.548 -0.391) 1.617 15.745 ( -1.737 4.212 0.425) 4.575 15.839 ( -2.421 -1.223 1.256) 2.989 16.046 ( 1.667 -1.469 -1.503) 2.683 16.070 ( 4.998 -2.281 -4.697) 7.228 16.810 ( 0.039 -0.929 1.923) 2.136 16.886 ( 1.495 -2.060 -0.500) 2.594 17.004 ( -3.891 2.904 3.361) 5.906 17.132 ( 0.369 0.984 -2.686) 2.884 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.676 ( -14.360 0.000 5.021) 15.212 0.813 ( -12.245 0.000 16.047) 20.185 1.226 ( 2.045 -0.000 0.285) 2.065 1.279 ( -4.034 0.000 5.768) 7.039 1.416 ( -0.548 0.000 0.359) 0.655 1.444 ( -8.979 0.000 8.521) 12.379 1.450 ( -1.838 0.000 0.754) 1.987 1.492 ( -2.043 0.000 9.722) 9.934 1.527 ( 2.829 -0.000 -2.469) 3.755 1.727 ( -4.532 0.000 1.598) 4.806 1.789 ( 5.992 -0.000 -4.952) 7.773 1.904 ( 2.329 -0.000 -4.454) 5.026 1.996 ( 3.212 -0.000 -3.071) 4.444 2.050 ( 6.998 -0.000 -1.105) 7.085 2.054 ( 2.553 -0.000 0.989) 2.737 2.212 ( 3.485 -0.000 -2.623) 4.362 2.255 ( -4.609 0.000 -1.870) 4.974 2.302 ( -3.219 0.000 0.115) 3.221 2.312 ( -5.023 0.000 2.951) 5.826 2.534 ( 3.804 -0.000 -0.861) 3.901 2.571 ( 2.939 -0.000 -4.164) 5.097 2.629 ( -1.545 0.000 -1.083) 1.887 3.097 ( 0.857 -0.000 1.553) 1.774 3.184 ( 2.844 -0.000 -7.810) 8.312 3.218 ( -1.624 0.000 2.076) 2.636 3.324 ( 2.290 -0.000 -0.077) 2.291 3.393 ( -0.888 0.000 1.850) 2.052 3.492 ( 3.048 -0.000 2.393) 3.875 3.649 ( -7.953 0.000 3.353) 8.631 3.806 ( -0.442 0.000 -1.771) 1.826 3.855 ( -6.438 0.000 4.715) 7.980 3.959 ( 3.585 -0.000 -3.972) 5.351 4.134 ( -2.126 0.000 7.541) 7.834 4.220 ( -4.485 0.000 1.162) 4.633 4.426 ( 5.066 -0.000 -7.804) 9.304 4.639 ( -0.696 0.000 -5.856) 5.898 4.740 ( 2.446 -0.000 -4.372) 5.010 4.778 ( 2.860 -0.000 2.488) 3.791 4.817 ( -2.668 0.000 -2.764) 3.842 4.988 ( 5.814 -0.000 3.268) 6.669 5.342 ( -4.351 0.000 -0.076) 4.352 5.429 ( -2.139 0.000 4.826) 5.279 5.614 ( -0.282 0.000 0.722) 0.775 5.730 ( -0.864 0.000 1.831) 2.025 5.799 ( 0.101 -0.000 -4.261) 4.262 6.015 ( 1.646 -0.000 4.551) 4.840 6.227 ( -1.768 0.000 1.700) 2.453 6.355 ( 2.223 -0.000 -0.147) 2.228 6.454 ( 1.142 -0.000 -0.199) 1.159 6.529 ( 2.974 -0.000 -5.013) 5.829 6.663 ( -0.254 0.000 0.765) 0.806 6.785 ( 2.028 -0.000 -2.789) 3.448 7.420 ( -2.593 0.000 -0.381) 2.621 7.618 ( 3.065 -0.000 1.860) 3.586 7.679 ( 1.202 -0.000 -1.704) 2.085 7.711 ( 4.007 -0.000 3.349) 5.223 7.856 ( -0.132 0.000 -0.762) 0.774 7.872 ( 1.065 -0.000 -1.281) 1.666 7.985 ( -1.504 0.000 1.482) 2.111 8.037 ( -2.630 0.000 1.045) 2.831 8.079 ( 1.553 -0.000 -0.918) 1.804 8.182 ( 0.751 -0.000 -5.147) 5.202 8.301 ( -0.062 0.000 3.825) 3.826 8.324 ( 1.271 -0.000 0.748) 1.475 8.971 ( -1.216 0.000 3.867) 4.053 9.078 ( 1.258 -0.000 -3.597) 3.811 9.124 ( -0.265 0.000 1.933) 1.951 9.129 ( -0.107 0.000 -1.659) 1.662 11.887 ( -0.422 0.000 1.364) 1.428 11.930 ( -0.240 0.000 -1.762) 1.778 11.950 ( 0.852 -0.000 0.097) 0.858 11.960 ( 0.358 -0.000 1.069) 1.127 15.355 ( -0.383 0.000 -1.593) 1.639 15.372 ( 0.298 -0.000 0.387) 0.488 15.553 ( -2.050 0.000 3.335) 3.915 15.649 ( 1.067 -0.000 -1.648) 1.963 15.825 ( -3.128 0.000 -2.974) 4.316 15.841 ( -0.327 0.000 -4.110) 4.123 15.990 ( 1.817 -0.000 2.222) 2.870 15.997 ( 0.788 -0.000 3.282) 3.376 16.804 ( 1.031 -0.000 0.259) 1.063 16.823 ( 1.659 -0.000 0.021) 1.659 17.052 ( -3.823 0.000 0.208) 3.828 17.169 ( 0.486 -0.000 -0.267) 0.555 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.658 ( -10.911 -4.500 11.744) 16.650 0.806 ( -11.252 -1.270 15.007) 18.800 1.202 ( 0.512 1.673 2.075) 2.714 1.344 ( -7.119 -3.988 6.052) 10.159 1.395 ( 0.391 -0.441 -3.606) 3.654 1.410 ( -0.755 0.391 3.207) 3.318 1.510 ( -1.845 -4.244 6.211) 7.745 1.539 ( 3.456 0.051 -1.333) 3.704 1.579 ( -4.547 -5.484 11.505) 13.532 1.674 ( -3.543 2.438 2.517) 4.983 1.765 ( 7.559 4.959 -8.821) 12.631 1.888 ( 2.206 1.573 -3.057) 4.085 1.979 ( 1.740 1.279 -0.543) 2.227 2.071 ( 4.268 1.826 1.288) 4.818 2.142 ( 6.901 -1.645 -1.810) 7.321 2.170 ( -4.026 1.743 -0.791) 4.458 2.236 ( 1.816 -0.190 -2.263) 2.908 2.302 ( 1.044 -2.780 -0.954) 3.119 2.347 ( -5.565 -4.617 4.937) 8.756 2.542 ( -1.640 -1.678 -2.198) 3.215 2.610 ( 1.800 -3.881 -4.438) 6.165 2.642 ( 0.980 -2.090 1.344) 2.671 3.089 ( 0.612 1.970 0.694) 2.176 3.106 ( -0.561 4.582 -6.511) 7.981 3.236 ( 0.876 -1.469 -2.510) 3.037 3.339 ( 0.737 4.773 2.304) 5.351 3.348 ( -0.880 1.397 3.480) 3.852 3.537 ( 2.662 -0.439 -0.061) 2.699 3.627 ( -5.767 -2.042 3.908) 7.259 3.804 ( -0.571 -1.606 -1.626) 2.355 3.853 ( -7.422 -3.891 3.474) 9.071 3.975 ( 3.349 -0.585 -3.506) 4.884 4.168 ( -1.170 -0.951 7.516) 7.665 4.211 ( -2.273 -2.010 -1.050) 3.211 4.387 ( 3.068 3.094 -7.416) 8.601 4.594 ( -0.979 0.419 -5.432) 5.536 4.667 ( 0.024 5.032 -4.179) 6.542 4.798 ( -1.247 -1.878 -5.891) 6.308 4.823 ( 1.309 0.369 3.859) 4.092 5.042 ( 5.814 1.854 3.177) 6.880 5.271 ( -4.778 3.819 2.020) 6.441 5.453 ( -1.277 -1.983 1.454) 2.771 5.622 ( 0.118 -0.109 0.686) 0.704 5.745 ( 0.667 1.030 1.397) 1.859 5.770 ( 0.083 -0.945 -2.779) 2.937 6.057 ( 0.870 -1.333 2.345) 2.834 6.185 ( -0.735 4.168 0.986) 4.346 6.331 ( 1.956 3.733 -3.254) 5.325 6.478 ( -0.579 -1.737 2.808) 3.352 6.549 ( 3.368 -1.389 -2.911) 4.663 6.688 ( -0.768 -2.255 0.611) 2.459 6.797 ( 1.574 -1.296 -2.167) 2.976 7.386 ( -0.987 1.887 -0.104) 2.132 7.614 ( 2.539 4.196 -1.216) 5.053 7.677 ( 2.086 1.121 0.441) 2.408 7.739 ( 2.118 1.761 2.105) 3.467 7.842 ( -0.409 -0.222 -0.663) 0.810 7.888 ( 1.275 -0.469 -1.437) 1.977 7.938 ( -2.017 2.341 0.469) 3.125 8.068 ( -2.149 -3.523 0.974) 4.240 8.121 ( 1.739 -3.548 -1.501) 4.226 8.166 ( -0.225 -0.874 -3.727) 3.835 8.282 ( -1.820 2.715 3.963) 5.137 8.354 ( 2.111 -0.211 0.848) 2.285 8.994 ( -1.340 -1.197 3.689) 4.103 9.068 ( 1.053 0.291 -2.807) 3.012 9.121 ( 0.597 0.280 -0.756) 1.003 9.155 ( 0.792 -2.622 -0.051) 2.739 11.893 ( -0.409 -0.134 1.117) 1.197 11.919 ( 0.081 0.053 -1.069) 1.073 11.956 ( 0.986 0.380 0.390) 1.126 11.976 ( 0.128 -0.791 0.729) 1.083 15.331 ( -0.533 1.715 -1.307) 2.221 15.364 ( 0.367 0.786 -0.198) 0.890 15.561 ( -2.108 -0.977 1.757) 2.913 15.614 ( -1.109 1.827 -1.201) 2.452 15.791 ( -0.932 1.438 -1.966) 2.608 15.793 ( -3.742 0.111 -0.137) 3.747 16.037 ( 1.114 -1.318 1.784) 2.482 16.054 ( 5.288 -2.460 -1.146) 5.944 16.812 ( 0.809 -0.099 0.843) 1.172 16.863 ( 2.305 -2.475 -0.516) 3.421 17.012 ( -4.257 0.995 0.808) 4.446 17.133 ( -2.351 1.784 -3.266) 4.402 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.635 ( -7.087 0.000 15.130) 16.707 0.808 ( -10.181 0.000 16.846) 19.684 1.227 ( -1.511 0.000 -0.805) 1.712 1.299 ( -9.526 0.000 20.880) 22.950 1.371 ( -0.228 0.000 -3.745) 3.752 1.422 ( -3.474 0.000 4.424) 5.625 1.437 ( -2.376 0.000 2.834) 3.698 1.569 ( 4.439 -0.000 -1.050) 4.561 1.583 ( -2.495 0.000 11.231) 11.505 1.691 ( -3.021 0.000 3.280) 4.459 1.814 ( 5.349 -0.000 -7.260) 9.018 1.914 ( 4.659 -0.000 -4.858) 6.732 1.987 ( 0.398 -0.000 -3.871) 3.891 2.128 ( 3.553 -0.000 -2.109) 4.132 2.158 ( -1.560 0.000 1.506) 2.168 2.167 ( 6.264 -0.000 -1.734) 6.499 2.249 ( 1.361 -0.000 1.313) 1.891 2.279 ( 1.088 -0.000 -0.599) 1.242 2.308 ( -1.715 0.000 5.486) 5.748 2.503 ( -0.750 0.000 -1.926) 2.067 2.575 ( 2.847 -0.000 -4.040) 4.942 2.618 ( -1.993 0.000 -1.902) 2.755 3.092 ( -1.836 0.000 -0.831) 2.015 3.121 ( 3.044 -0.000 -9.537) 10.011 3.216 ( -1.040 0.000 1.993) 2.248 3.377 ( 2.161 -0.000 1.918) 2.890 3.420 ( 0.502 -0.000 2.532) 2.581 3.516 ( -4.998 0.000 0.183) 5.002 3.599 ( -0.648 0.000 5.074) 5.116 3.762 ( -0.384 0.000 -3.640) 3.660 3.775 ( -7.945 0.000 5.706) 9.781 3.999 ( 5.265 -0.000 -2.661) 5.899 4.141 ( -4.910 0.000 3.001) 5.755 4.218 ( 0.321 -0.000 4.327) 4.338 4.379 ( 1.019 -0.000 -9.983) 10.035 4.558 ( -0.901 0.000 -5.753) 5.823 4.698 ( 1.098 -0.000 -7.195) 7.278 4.709 ( -2.712 0.000 -6.842) 7.360 4.860 ( 1.600 -0.000 4.443) 4.723 5.128 ( 5.844 -0.000 1.809) 6.117 5.280 ( -2.611 0.000 0.132) 2.614 5.432 ( -3.536 0.000 4.030) 5.361 5.642 ( 2.135 -0.000 0.661) 2.235 5.732 ( -2.178 0.000 -3.349) 3.995 5.784 ( 3.225 -0.000 3.031) 4.426 6.049 ( -2.561 0.000 2.817) 3.807 6.232 ( 0.479 -0.000 0.956) 1.069 6.354 ( 0.857 -0.000 -4.066) 4.155 6.485 ( 0.720 -0.000 1.697) 1.844 6.533 ( 2.963 -0.000 -3.415) 4.521 6.666 ( -0.755 0.000 1.220) 1.435 6.787 ( 1.858 -0.000 -2.625) 3.216 7.398 ( -0.113 0.000 0.892) 0.900 7.672 ( 2.827 -0.000 -1.071) 3.023 7.707 ( 2.491 -0.000 0.600) 2.563 7.791 ( 0.381 -0.000 0.483) 0.615 7.822 ( -2.204 0.000 -0.276) 2.221 7.881 ( 1.973 -0.000 -1.760) 2.644 7.974 ( -0.904 0.000 0.505) 1.036 7.988 ( -2.287 0.000 -0.881) 2.451 8.105 ( 0.904 -0.000 0.058) 0.905 8.126 ( -0.609 0.000 -4.026) 4.071 8.318 ( -2.690 0.000 2.797) 3.881 8.366 ( 2.367 -0.000 0.390) 2.399 8.994 ( -1.425 0.000 3.893) 4.145 9.069 ( 1.857 -0.000 -2.163) 2.851 9.126 ( -1.601 0.000 1.236) 2.022 9.129 ( 1.546 -0.000 -0.505) 1.626 11.896 ( -0.291 0.000 1.226) 1.260 11.916 ( 0.373 -0.000 -0.840) 0.919 11.972 ( -0.435 0.000 1.047) 1.134 11.973 ( 1.441 -0.000 0.222) 1.458 15.332 ( -0.048 0.000 -1.513) 1.514 15.370 ( -0.519 0.000 -0.465) 0.697 15.546 ( -2.110 0.000 1.843) 2.802 15.595 ( -2.708 0.000 -3.363) 4.318 15.742 ( -3.192 0.000 -0.277) 3.204 15.798 ( -0.118 0.000 -2.863) 2.866 16.045 ( 0.624 -0.000 2.869) 2.936 16.087 ( 5.111 -0.000 1.491) 5.324 16.833 ( 2.195 -0.000 0.165) 2.201 16.850 ( 1.639 -0.000 -0.138) 1.645 16.983 ( -4.048 0.000 -0.170) 4.051 17.084 ( -7.141 0.000 -4.610) 8.499 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.967 ( 2.083 -0.000 -8.740) 8.985 0.967 ( -2.083 0.000 8.740) 8.985 1.200 ( 5.087 -0.000 -8.548) 9.947 1.200 ( -5.087 0.000 8.548) 9.947 1.499 ( -0.863 0.000 0.075) 0.866 1.499 ( 0.863 -0.000 -0.075) 0.866 1.545 ( 2.934 -0.000 -2.503) 3.857 1.545 ( -2.934 0.000 2.503) 3.857 1.684 ( 7.644 -0.000 -7.719) 10.863 1.684 ( -7.644 0.000 7.719) 10.863 1.878 ( -0.928 0.000 0.284) 0.970 1.878 ( 0.928 -0.000 -0.284) 0.970 2.077 ( -2.777 0.000 -8.569) 9.008 2.077 ( 2.777 -0.000 8.569) 9.008 2.173 ( 2.133 -0.000 -2.784) 3.507 2.173 ( -2.133 0.000 2.784) 3.507 2.321 ( -2.724 0.000 -6.754) 7.283 2.321 ( 2.724 -0.000 6.754) 7.283 2.387 ( -0.544 0.000 -3.523) 3.565 2.387 ( 0.544 -0.000 3.523) 3.565 2.603 ( 0.106 -0.000 -1.616) 1.620 2.603 ( -0.106 0.000 1.616) 1.620 3.001 ( 5.953 -0.000 -2.367) 6.406 3.001 ( -5.953 0.000 2.367) 6.406 3.317 ( -1.038 0.000 -4.991) 5.098 3.317 ( 1.038 -0.000 4.991) 5.098 3.437 ( 3.910 -0.000 -1.858) 4.329 3.437 ( -3.910 0.000 1.858) 4.329 3.703 ( 1.381 -0.000 -1.752) 2.231 3.703 ( -1.381 0.000 1.752) 2.231 4.008 ( 2.654 -0.000 -11.328) 11.634 4.008 ( -2.654 0.000 11.328) 11.634 4.068 ( -2.862 0.000 -0.111) 2.864 4.068 ( 2.862 -0.000 0.111) 2.864 4.369 ( 2.418 -0.000 -4.491) 5.100 4.369 ( -2.418 0.000 4.491) 5.100 4.539 ( 1.130 -0.000 -2.019) 2.314 4.539 ( -1.130 0.000 2.019) 2.314 5.067 ( -0.804 0.000 -5.943) 5.998 5.067 ( 0.804 -0.000 5.943) 5.998 5.356 ( -4.613 0.000 -2.160) 5.093 5.356 ( 4.613 -0.000 2.160) 5.093 5.686 ( -0.396 0.000 -0.270) 0.479 5.686 ( 0.396 -0.000 0.270) 0.479 5.976 ( -5.142 0.000 -3.081) 5.994 5.976 ( 5.142 -0.000 3.081) 5.994 6.253 ( -1.201 0.000 -0.421) 1.272 6.253 ( 1.201 -0.000 0.421) 1.272 6.525 ( 0.239 -0.000 -0.084) 0.253 6.525 ( -0.239 0.000 0.084) 0.253 6.719 ( 3.148 -0.000 -3.753) 4.899 6.719 ( -3.148 0.000 3.753) 4.899 7.530 ( -1.100 0.000 -5.843) 5.945 7.530 ( 1.100 -0.000 5.843) 5.945 7.778 ( -1.367 0.000 0.018) 1.367 7.778 ( 1.367 -0.000 -0.018) 1.367 7.840 ( 3.607 -0.000 -2.994) 4.688 7.840 ( -3.607 0.000 2.994) 4.688 7.942 ( 1.958 -0.000 -1.231) 2.313 7.942 ( -1.958 0.000 1.231) 2.313 8.090 ( 0.793 -0.000 -1.285) 1.510 8.090 ( -0.793 0.000 1.285) 1.510 8.373 ( 2.735 -0.000 -2.597) 3.772 8.373 ( -2.735 0.000 2.597) 3.772 9.057 ( 2.821 -0.000 -1.848) 3.372 9.057 ( -2.821 0.000 1.848) 3.372 9.131 ( 2.533 -0.000 -1.614) 3.003 9.131 ( -2.533 0.000 1.614) 3.003 11.912 ( 0.494 -0.000 -0.216) 0.539 11.912 ( -0.494 0.000 0.216) 0.539 11.991 ( 1.584 -0.000 -0.905) 1.825 11.991 ( -1.584 0.000 0.905) 1.825 15.325 ( -1.031 0.000 -0.613) 1.199 15.325 ( 1.031 -0.000 0.613) 1.199 15.535 ( 0.520 -0.000 -0.452) 0.689 15.535 ( -0.520 0.000 0.452) 0.689 15.741 ( -1.015 0.000 -0.624) 1.192 15.741 ( 1.015 -0.000 0.624) 1.192 16.121 ( 0.930 -0.000 -1.676) 1.917 16.121 ( -0.930 0.000 1.676) 1.917 16.876 ( -1.433 0.000 0.366) 1.479 16.876 ( 1.433 -0.000 -0.366) 1.479 16.922 ( -0.423 0.000 -0.060) 0.428 16.922 ( 0.423 -0.000 0.060) 0.428 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.939 ( 4.278 -0.523 -10.292) 11.159 1.009 ( -0.173 -0.866 7.812) 7.861 1.194 ( 1.379 -0.564 -5.418) 5.619 1.239 ( -1.279 -2.370 5.676) 6.282 1.455 ( 2.909 4.928 -4.864) 7.510 1.482 ( -0.695 3.973 4.210) 5.830 1.537 ( -4.233 -0.964 4.055) 5.941 1.549 ( 1.961 -0.344 -3.103) 3.687 1.689 ( -4.631 -2.052 4.055) 6.488 1.722 ( 5.272 -1.156 -5.314) 7.574 1.866 ( -0.981 1.024 -2.618) 2.977 1.889 ( 0.123 0.178 -1.231) 1.250 1.973 ( -1.846 1.074 -4.281) 4.784 2.073 ( 0.952 5.250 4.356) 6.888 2.164 ( -2.597 0.360 0.299) 2.639 2.200 ( 1.657 -1.330 -1.369) 2.527 2.271 ( -4.339 -1.925 -2.773) 5.497 2.359 ( 0.551 1.726 1.537) 2.376 2.398 ( 3.966 -1.901 -0.687) 4.452 2.427 ( 2.970 -1.197 3.499) 4.743 2.626 ( 0.134 -4.320 -3.754) 5.725 2.647 ( 0.419 -5.597 -2.044) 5.973 2.954 ( -5.428 1.429 1.705) 5.866 3.041 ( 4.411 0.038 0.756) 4.475 3.269 ( -0.754 1.300 -3.788) 4.075 3.330 ( -0.970 1.980 5.202) 5.651 3.413 ( -2.831 -0.225 0.245) 2.850 3.462 ( 1.063 -0.129 2.111) 2.368 3.708 ( 1.169 0.825 -2.733) 3.084 3.725 ( 0.936 -0.944 0.921) 1.618 3.966 ( -0.365 -2.513 -5.109) 5.705 4.025 ( -3.476 -3.166 -3.035) 5.597 4.075 ( 1.475 0.662 5.400) 5.637 4.146 ( 3.124 -2.368 4.072) 5.652 4.355 ( 3.193 1.296 -4.555) 5.712 4.383 ( -0.001 0.142 6.036) 6.038 4.547 ( 0.181 -1.067 -0.359) 1.140 4.572 ( 0.783 -2.046 3.300) 3.961 5.002 ( -1.522 2.385 -5.438) 6.130 5.073 ( -0.765 3.169 4.970) 5.944 5.302 ( -4.186 0.742 -1.117) 4.396 5.406 ( 5.572 0.417 1.110) 5.697 5.671 ( -1.112 0.818 -0.831) 1.611 5.691 ( 0.373 -0.319 0.411) 0.640 5.908 ( -4.198 0.808 -3.528) 5.543 6.015 ( 3.422 2.391 3.013) 5.148 6.228 ( 0.194 1.439 -2.112) 2.563 6.250 ( -0.590 1.779 2.379) 3.028 6.535 ( -1.214 -1.732 0.660) 2.216 6.541 ( 0.940 -1.822 -1.557) 2.574 6.728 ( -1.676 -1.852 1.076) 2.720 6.743 ( 1.182 -2.286 -0.794) 2.693 7.458 ( -1.187 3.287 -4.406) 5.623 7.525 ( -0.112 4.798 4.831) 6.810 7.745 ( -1.463 1.941 -0.384) 2.461 7.771 ( 1.555 1.652 -0.531) 2.330 7.829 ( -2.837 -0.008 3.751) 4.703 7.839 ( 2.021 1.464 -2.181) 3.314 7.938 ( -1.235 -1.067 -1.167) 2.006 7.991 ( 2.669 -2.803 1.482) 4.145 8.111 ( -0.828 -2.813 0.303) 2.948 8.123 ( 0.565 -2.779 0.211) 2.844 8.362 ( -2.419 0.147 2.172) 3.255 8.372 ( 2.083 1.002 -2.860) 3.678 9.043 ( -2.684 -0.203 0.855) 2.824 9.073 ( 2.137 -0.603 -1.544) 2.704 9.117 ( -1.853 0.231 0.766) 2.018 9.143 ( 1.928 0.095 -0.516) 1.999 11.908 ( -0.486 0.078 -0.017) 0.493 11.914 ( 0.367 -0.008 -0.174) 0.406 11.979 ( -1.748 0.208 0.595) 1.858 11.997 ( 1.248 -0.005 -0.910) 1.544 15.303 ( -0.585 1.261 -0.130) 1.396 15.326 ( 1.229 1.250 0.921) 1.980 15.549 ( -0.952 -2.141 -0.041) 2.344 15.568 ( -0.081 -2.455 1.672) 2.971 15.729 ( -0.740 0.539 0.574) 1.081 15.760 ( 3.488 -0.459 -1.074) 3.678 16.105 ( -1.602 1.489 0.422) 2.228 16.108 ( 0.230 0.875 -1.553) 1.797 16.865 ( -2.229 -1.373 -1.071) 2.829 16.884 ( -3.858 -2.080 1.427) 4.609 16.934 ( 2.568 0.360 1.834) 3.176 16.963 ( 5.694 -0.872 -0.322) 5.769 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.954 ( 3.906 -3.058 -7.250) 8.785 1.075 ( 0.976 -2.732 3.033) 4.197 1.187 ( 1.940 -1.469 -5.859) 6.344 1.282 ( -1.773 -0.656 3.213) 3.728 1.371 ( 2.652 5.002 -2.259) 6.096 1.424 ( -1.719 4.801 3.947) 6.449 1.502 ( -4.849 2.259 -0.247) 5.355 1.570 ( -0.512 -1.559 1.895) 2.507 1.674 ( 2.015 3.962 -2.680) 5.190 1.741 ( 1.143 -1.305 -2.441) 2.994 1.773 ( -0.280 3.277 -5.006) 5.990 1.871 ( -0.666 0.609 -0.061) 0.905 2.007 ( -1.238 0.221 4.243) 4.425 2.038 ( 1.977 0.074 2.158) 2.928 2.126 ( -0.067 1.963 -0.654) 2.070 2.193 ( -1.601 -0.737 -4.061) 4.427 2.299 ( -2.165 -4.042 1.257) 4.754 2.329 ( -1.010 0.957 -2.288) 2.678 2.449 ( 4.971 -0.438 -0.636) 5.031 2.525 ( 3.085 -3.862 4.969) 7.008 2.673 ( 0.962 -3.291 -4.519) 5.672 2.759 ( 1.963 -8.499 -2.353) 9.034 2.893 ( -4.841 1.684 1.702) 5.401 3.067 ( 2.236 1.079 0.335) 2.505 3.223 ( -1.496 1.667 -1.451) 2.669 3.308 ( -2.735 1.646 3.121) 4.465 3.407 ( 1.481 -0.501 -3.080) 3.454 3.466 ( -2.355 1.321 4.469) 5.222 3.695 ( -0.004 -0.952 0.755) 1.215 3.728 ( -0.525 1.278 -0.073) 1.384 3.977 ( -3.702 -0.483 -1.401) 3.987 4.047 ( 3.703 -5.283 -7.122) 9.610 4.123 ( 0.178 -0.532 5.773) 5.800 4.206 ( 1.009 0.756 4.619) 4.788 4.358 ( 4.425 -2.268 -5.779) 7.624 4.437 ( 1.355 -1.156 5.941) 6.202 4.572 ( 0.352 -1.957 -0.379) 2.024 4.639 ( 1.913 -1.922 4.632) 5.367 4.916 ( -1.557 3.270 -4.237) 5.573 5.026 ( -1.647 3.864 3.402) 5.405 5.257 ( -2.984 0.428 -0.059) 3.015 5.449 ( 5.167 0.081 -0.158) 5.170 5.636 ( -1.211 1.404 -1.004) 2.108 5.707 ( 0.323 -0.543 0.249) 0.679 5.849 ( -2.385 0.232 -3.186) 3.986 5.989 ( -0.274 4.526 2.967) 5.419 6.196 ( 1.135 1.546 -2.421) 3.089 6.218 ( -1.126 2.758 2.233) 3.723 6.561 ( -0.995 -2.179 0.475) 2.442 6.571 ( 0.429 -1.985 -0.984) 2.257 6.755 ( 0.149 -2.477 -1.537) 2.919 6.789 ( -0.375 -2.399 1.465) 2.836 7.380 ( -0.391 2.734 -2.600) 3.793 7.459 ( -0.932 5.101 3.119) 6.051 7.698 ( -1.147 2.144 -0.131) 2.435 7.758 ( 2.032 1.318 -0.770) 2.541 7.819 ( 0.795 0.866 -1.310) 1.760 7.831 ( -1.795 0.204 3.473) 3.915 7.940 ( -1.142 -1.181 -1.247) 2.062 8.063 ( 2.384 -1.945 1.522) 3.432 8.155 ( -0.145 -2.649 -0.403) 2.684 8.170 ( -0.602 -2.931 1.155) 3.208 8.343 ( -0.238 1.979 -1.143) 2.298 8.352 ( -0.378 0.549 -0.451) 0.805 9.034 ( -1.767 -0.828 0.336) 1.980 9.091 ( -0.279 0.008 1.105) 1.139 9.104 ( 0.997 -0.407 -2.854) 3.050 9.152 ( 0.467 0.426 1.327) 1.470 11.903 ( -0.295 0.041 -0.143) 0.330 11.917 ( 0.256 -0.004 -0.124) 0.285 11.962 ( -1.508 0.347 0.238) 1.565 12.002 ( 0.812 -0.102 -0.623) 1.029 15.280 ( -0.059 1.189 -0.061) 1.192 15.327 ( 0.883 0.559 1.290) 1.660 15.576 ( -1.436 -2.155 0.590) 2.656 15.600 ( 0.286 -0.580 0.285) 0.707 15.719 ( -1.271 0.579 1.980) 2.423 15.810 ( 4.947 -2.001 -1.507) 5.545 16.056 ( -2.169 2.256 -0.750) 3.218 16.088 ( -0.124 0.735 -0.759) 1.064 16.870 ( -0.612 -1.593 -1.659) 2.380 16.889 ( -3.340 -1.260 1.815) 4.005 16.972 ( 0.867 -1.053 3.474) 3.733 17.018 ( 5.316 -0.286 -1.259) 5.471 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.989 ( 0.793 -1.209 -1.934) 2.415 1.147 ( 5.988 -4.569 -6.486) 9.940 1.218 ( -3.274 -2.791 1.941) 4.720 1.261 ( -1.214 1.546 0.618) 2.060 1.323 ( -0.534 4.306 1.740) 4.675 1.362 ( 0.563 1.985 0.771) 2.203 1.419 ( -2.885 2.441 0.552) 3.819 1.595 ( -0.890 -0.444 2.305) 2.511 1.607 ( 2.947 3.065 -4.096) 5.903 1.732 ( -0.089 0.333 -0.964) 1.024 1.753 ( -0.273 -0.872 -1.176) 1.489 1.862 ( 0.757 0.494 0.233) 0.934 1.999 ( -1.280 0.449 5.032) 5.211 2.035 ( -0.454 1.667 -3.222) 3.656 2.146 ( 0.999 -0.255 3.878) 4.013 2.183 ( 0.656 -2.857 -4.233) 5.149 2.272 ( -0.041 3.194 -1.258) 3.433 2.347 ( -2.642 -2.721 -0.068) 3.793 2.503 ( 3.553 -1.204 0.638) 3.805 2.623 ( 0.877 -2.845 2.834) 4.111 2.683 ( 0.928 0.028 -3.565) 3.684 2.806 ( -1.338 1.969 -1.187) 2.660 2.933 ( 0.568 -7.701 2.781) 8.207 3.045 ( 0.005 3.070 -2.195) 3.774 3.196 ( -1.255 -1.252 1.345) 2.226 3.255 ( -1.226 3.837 -0.858) 4.118 3.414 ( 0.567 -0.430 -0.291) 0.769 3.452 ( -0.775 0.439 1.073) 1.394 3.694 ( -0.843 1.034 -0.491) 1.421 3.735 ( 0.310 -1.369 2.284) 2.680 3.937 ( -1.791 0.458 -1.464) 2.358 4.125 ( 5.532 -2.986 -6.334) 8.924 4.143 ( -3.313 -0.575 4.782) 5.846 4.201 ( -0.295 2.265 3.105) 3.855 4.422 ( 3.055 -3.512 -3.598) 5.884 4.474 ( -0.284 0.880 3.455) 3.576 4.604 ( 0.567 -1.561 -0.664) 1.789 4.714 ( 1.882 -1.818 4.243) 4.984 4.829 ( -1.522 2.758 -3.440) 4.664 4.982 ( -1.063 1.636 1.476) 2.446 5.240 ( -0.755 -0.114 0.071) 0.767 5.486 ( 1.830 -0.278 -0.066) 1.852 5.612 ( 0.577 0.308 -0.019) 0.655 5.701 ( -1.103 0.418 -0.637) 1.341 5.830 ( -0.145 -0.556 -1.752) 1.844 5.929 ( -1.004 2.944 1.746) 3.567 6.175 ( 0.085 0.568 -0.640) 0.860 6.184 ( -0.255 1.455 0.676) 1.624 6.583 ( -0.229 -0.902 0.037) 0.932 6.593 ( 0.039 -0.851 -0.211) 0.878 6.783 ( 0.669 -1.390 -1.527) 2.170 6.817 ( -0.737 -0.652 1.385) 1.699 7.343 ( 0.152 0.710 -1.039) 1.268 7.404 ( -0.672 2.291 1.366) 2.751 7.665 ( -0.437 0.895 -0.088) 1.000 7.755 ( 1.085 0.430 -0.498) 1.269 7.814 ( 0.361 0.050 -0.278) 0.458 7.830 ( -0.723 0.208 1.361) 1.555 7.940 ( -0.617 -0.466 -0.396) 0.868 8.103 ( 0.630 -0.665 0.724) 1.168 8.183 ( 0.460 -1.262 -0.411) 1.404 8.211 ( -0.250 -1.288 0.741) 1.506 8.307 ( -0.714 0.747 -0.218) 1.056 8.332 ( 0.029 1.134 -0.843) 1.413 9.045 ( -0.584 -1.393 0.466) 1.581 9.074 ( -0.475 1.266 0.078) 1.354 9.117 ( 1.180 -0.771 -1.823) 2.305 9.152 ( -0.373 0.470 1.401) 1.525 11.900 ( -0.063 -0.023 -0.055) 0.087 11.917 ( 0.101 0.026 -0.075) 0.129 11.949 ( -0.636 0.169 0.054) 0.660 12.006 ( 0.286 -0.068 -0.215) 0.364 15.266 ( 0.034 0.495 -0.062) 0.500 15.334 ( 0.304 0.040 0.656) 0.725 15.594 ( -1.902 -1.073 1.721) 2.781 15.602 ( 1.620 0.457 -1.667) 2.369 15.713 ( -0.650 0.156 0.981) 1.187 15.872 ( 2.971 -1.585 -0.392) 3.390 16.000 ( -1.861 1.591 -0.602) 2.521 16.076 ( -0.109 0.237 -0.155) 0.303 16.881 ( 0.267 -1.009 -1.609) 1.918 16.888 ( -1.465 0.021 1.652) 2.208 17.010 ( -0.581 -1.003 2.399) 2.664 17.043 ( 2.635 0.345 -1.408) 3.008 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.923 ( 5.870 -0.000 -11.211) 12.655 1.044 ( 3.883 -0.000 0.959) 4.000 1.205 ( 3.781 -0.000 -3.394) 5.081 1.220 ( -5.072 0.000 10.014) 11.225 1.510 ( -3.537 0.000 4.030) 5.362 1.513 ( 1.780 -0.000 -4.352) 4.702 1.521 ( 2.654 -0.000 -2.807) 3.863 1.559 ( 1.854 -0.000 -2.021) 2.742 1.635 ( -8.377 0.000 7.740) 11.405 1.726 ( 6.134 -0.000 -6.054) 8.618 1.852 ( -1.882 0.000 -0.044) 1.883 1.886 ( 2.321 -0.000 -3.137) 3.902 1.929 ( -1.158 0.000 -7.099) 7.192 2.137 ( -4.421 0.000 0.696) 4.476 2.156 ( 0.882 -0.000 -4.258) 4.348 2.165 ( -2.573 0.000 6.669) 7.149 2.207 ( -4.910 0.000 -2.668) 5.588 2.351 ( 1.788 -0.000 -5.215) 5.513 2.441 ( 3.904 -0.000 -1.579) 4.211 2.475 ( 4.131 -0.000 6.597) 7.783 2.572 ( 2.465 -0.000 -5.727) 6.235 2.582 ( 0.069 -0.000 -2.375) 2.376 2.945 ( -5.415 0.000 5.817) 7.948 3.077 ( 3.978 -0.000 0.060) 3.979 3.256 ( -0.632 0.000 -2.355) 2.439 3.366 ( -1.626 0.000 3.019) 3.429 3.384 ( -5.489 0.000 3.973) 6.776 3.485 ( 1.646 -0.000 2.482) 2.978 3.725 ( 3.122 -0.000 -4.595) 5.555 3.736 ( 2.895 -0.000 -0.099) 2.897 3.916 ( 3.597 -0.000 -7.948) 8.724 3.938 ( -7.785 0.000 2.708) 8.243 4.150 ( 4.803 -0.000 -0.229) 4.809 4.160 ( 0.214 -0.000 9.817) 9.819 4.373 ( 4.075 -0.000 -6.563) 7.725 4.425 ( 1.149 -0.000 6.840) 6.936 4.557 ( -1.574 0.000 4.683) 4.941 4.578 ( 3.346 -0.000 3.202) 4.631 4.969 ( -2.517 0.000 -5.636) 6.173 5.103 ( -4.244 0.000 3.772) 5.678 5.289 ( -0.081 0.000 -0.913) 0.917 5.461 ( 4.400 -0.000 1.461) 4.636 5.664 ( -0.935 0.000 -1.233) 1.547 5.688 ( -0.525 0.000 0.929) 1.067 5.857 ( -4.078 0.000 -3.212) 5.191 6.085 ( 4.260 -0.000 0.776) 4.330 6.230 ( -0.921 0.000 0.173) 0.937 6.270 ( -1.110 0.000 2.292) 2.547 6.516 ( 0.101 -0.000 -1.280) 1.284 6.516 ( -0.305 0.000 -1.401) 1.434 6.707 ( -3.455 0.000 4.452) 5.635 6.722 ( 2.090 -0.000 -3.593) 4.157 7.449 ( -1.181 0.000 -3.882) 4.058 7.595 ( -1.359 0.000 5.102) 5.280 7.735 ( -2.272 0.000 -1.638) 2.800 7.791 ( 1.179 -0.000 -0.703) 1.373 7.821 ( -3.083 0.000 3.773) 4.872 7.867 ( 2.384 -0.000 -2.309) 3.319 7.945 ( -0.102 0.000 2.324) 2.326 7.970 ( 1.732 -0.000 0.086) 1.734 8.097 ( -0.164 0.000 1.102) 1.114 8.097 ( 1.121 -0.000 -0.388) 1.186 8.349 ( -2.978 0.000 1.819) 3.490 8.382 ( 1.850 -0.000 -2.836) 3.386 9.026 ( -2.938 0.000 1.804) 3.448 9.072 ( 2.055 -0.000 -3.044) 3.673 9.109 ( -2.004 0.000 1.443) 2.470 9.155 ( 2.067 -0.000 -1.431) 2.514 11.904 ( -0.620 0.000 0.239) 0.665 11.915 ( 0.414 -0.000 -0.543) 0.683 11.969 ( -1.785 0.000 0.589) 1.879 11.999 ( 0.783 -0.000 -1.285) 1.505 15.312 ( -0.157 0.000 0.316) 0.353 15.354 ( 1.145 -0.000 0.895) 1.453 15.539 ( -0.673 0.000 2.234) 2.333 15.543 ( -0.397 0.000 1.805) 1.849 15.744 ( 2.328 -0.000 -0.464) 2.373 15.776 ( 2.615 -0.000 -0.593) 2.682 16.101 ( -2.533 0.000 -0.118) 2.536 16.102 ( -0.162 0.000 -2.496) 2.501 16.829 ( -2.756 0.000 0.667) 2.835 16.846 ( -2.329 0.000 0.144) 2.334 16.972 ( 3.502 -0.000 0.799) 3.592 17.012 ( 5.609 -0.000 2.323) 6.071 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.922 ( 7.168 -1.514 -10.531) 12.828 1.078 ( 4.458 -0.160 -3.277) 5.536 1.186 ( 0.304 1.686 1.209) 2.097 1.273 ( -1.778 -1.819 4.801) 5.434 1.461 ( 3.873 5.501 -5.056) 8.415 1.480 ( -1.221 2.092 -2.871) 3.756 1.485 ( -5.655 0.816 3.418) 6.658 1.558 ( -1.429 0.457 3.789) 4.076 1.653 ( -2.242 -4.043 -0.780) 4.689 1.737 ( 1.955 0.403 -3.396) 3.939 1.812 ( 1.412 4.530 -6.336) 7.916 1.862 ( 0.895 -0.386 -2.249) 2.451 1.967 ( 0.753 -4.479 1.001) 4.651 2.095 ( -0.185 2.714 0.839) 2.847 2.104 ( -6.423 -0.727 -0.655) 6.497 2.150 ( -1.438 0.788 -1.231) 2.050 2.210 ( -2.304 -3.127 0.944) 3.997 2.338 ( 0.267 -0.127 -4.481) 4.491 2.464 ( 4.285 -0.775 -2.433) 4.988 2.532 ( 0.988 -2.416 1.845) 3.196 2.605 ( 3.827 -4.151 -6.108) 8.317 2.639 ( 2.331 -5.235 1.045) 5.825 2.925 ( -2.804 2.454 6.796) 7.751 3.099 ( 1.821 1.020 -0.371) 2.120 3.233 ( -0.189 1.345 -1.213) 1.821 3.319 ( -4.442 2.150 3.359) 5.969 3.395 ( -0.964 -1.124 0.550) 1.580 3.498 ( -1.605 1.384 3.900) 4.438 3.705 ( 2.901 0.701 -2.320) 3.780 3.752 ( 1.582 1.013 0.215) 1.890 3.913 ( -5.977 -1.941 1.480) 6.456 3.964 ( 5.287 -4.759 -5.343) 8.896 4.166 ( 1.395 1.492 3.745) 4.266 4.231 ( 0.144 -1.235 5.285) 5.429 4.358 ( 5.719 0.722 -7.974) 9.840 4.482 ( 2.642 -0.277 6.107) 6.660 4.562 ( -1.095 0.285 3.574) 3.749 4.659 ( 3.037 -2.090 5.711) 6.797 4.909 ( -2.453 1.059 -4.431) 5.174 5.058 ( -5.371 1.773 1.537) 5.861 5.273 ( 1.010 2.280 1.110) 2.730 5.491 ( 3.635 0.702 -1.056) 3.850 5.646 ( 0.128 0.745 -1.391) 1.583 5.700 ( -0.642 -0.843 2.123) 2.373 5.808 ( -2.711 0.054 -2.835) 3.923 6.072 ( 0.208 4.335 0.740) 4.403 6.213 ( 0.418 1.480 -1.684) 2.280 6.262 ( -1.170 1.840 3.074) 3.769 6.515 ( -1.380 -2.061 -0.067) 2.481 6.532 ( 0.357 -2.210 -1.955) 2.972 6.715 ( -0.887 -1.598 0.681) 1.951 6.747 ( -0.096 -2.926 -0.139) 2.931 7.406 ( 0.016 2.221 -2.223) 3.142 7.553 ( -2.131 5.345 3.516) 6.743 7.704 ( -2.040 0.612 -1.566) 2.643 7.779 ( 0.676 1.285 -1.594) 2.156 7.831 ( -2.150 -0.638 3.600) 4.241 7.851 ( 0.991 1.902 -0.501) 2.202 7.930 ( 0.811 0.783 0.415) 1.201 8.051 ( 2.067 -4.181 1.637) 4.943 8.101 ( -0.801 -1.678 0.273) 1.879 8.136 ( 0.607 -2.197 0.352) 2.306 8.338 ( -2.711 -0.470 1.287) 3.037 8.366 ( 1.021 1.525 -3.015) 3.529 9.015 ( -2.130 -0.246 1.811) 2.807 9.078 ( 1.694 -1.073 -3.345) 3.900 9.099 ( -1.386 0.329 1.181) 1.850 9.163 ( 0.883 -0.062 -0.626) 1.084 11.901 ( -0.431 0.046 0.333) 0.547 11.916 ( 0.379 -0.087 -0.619) 0.731 11.956 ( -1.467 0.200 0.390) 1.531 11.998 ( 0.267 -0.279 -1.231) 1.290 15.305 ( 0.270 1.239 0.879) 1.543 15.355 ( 0.719 1.290 0.648) 1.612 15.544 ( -0.816 -0.994 2.168) 2.520 15.587 ( -0.008 -2.080 2.194) 3.024 15.749 ( 1.422 1.716 1.109) 2.489 15.812 ( 4.232 -1.687 -1.643) 4.843 16.060 ( -3.007 1.537 -1.184) 3.579 16.083 ( -0.474 0.174 -2.243) 2.300 16.829 ( -1.223 -1.716 -0.325) 2.132 16.841 ( -2.761 -1.559 1.204) 3.391 17.004 ( 2.885 0.362 1.820) 3.430 17.067 ( 4.542 0.588 1.807) 4.924 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.981 ( 7.145 -3.015 -5.215) 9.346 1.097 ( 5.998 -2.200 -7.562) 9.900 1.182 ( 0.128 -0.740 -0.628) 0.979 1.275 ( -2.502 1.308 3.051) 4.157 1.397 ( -1.556 3.568 1.006) 4.021 1.407 ( -0.246 4.477 0.314) 4.495 1.441 ( -2.443 1.817 1.382) 3.344 1.574 ( -1.034 -1.696 1.236) 2.339 1.663 ( -1.540 3.159 -3.552) 4.997 1.716 ( -0.593 -1.002 -3.515) 3.703 1.726 ( 2.965 0.919 -4.109) 5.150 1.870 ( -0.172 0.085 0.601) 0.631 2.000 ( -4.143 -0.700 3.737) 5.623 2.047 ( -2.572 2.713 -1.941) 4.212 2.079 ( -1.956 -3.539 -3.914) 5.627 2.169 ( 0.604 -0.805 1.869) 2.122 2.211 ( -3.408 -0.838 -1.304) 3.744 2.353 ( 3.934 -2.216 -1.441) 4.739 2.511 ( 2.564 -2.657 -0.962) 3.816 2.604 ( 0.756 -3.748 2.279) 4.451 2.661 ( 2.723 -1.980 -4.024) 5.247 2.756 ( 0.983 -7.587 -4.537) 8.894 2.906 ( 0.072 3.280 8.973) 9.554 3.067 ( -0.404 2.416 -2.052) 3.196 3.200 ( -0.911 1.335 1.508) 2.210 3.280 ( -2.286 1.128 1.026) 2.748 3.408 ( 1.292 -0.849 -1.326) 2.037 3.471 ( -2.312 1.848 3.237) 4.386 3.711 ( 1.519 1.408 -1.530) 2.575 3.763 ( 2.952 0.346 3.195) 4.363 3.906 ( -3.939 -1.609 2.573) 4.972 4.057 ( 3.169 -5.190 -4.358) 7.482 4.158 ( -0.578 1.693 1.326) 2.227 4.243 ( -1.872 1.620 3.139) 3.997 4.389 ( 7.203 -2.186 -5.797) 9.501 4.525 ( 1.016 1.889 4.657) 5.128 4.581 ( 0.294 -1.860 1.263) 2.268 4.737 ( 1.529 -0.956 4.566) 4.909 4.842 ( -1.389 2.397 -2.845) 3.971 4.991 ( -4.273 1.591 0.127) 4.562 5.264 ( 1.766 1.616 2.591) 3.528 5.495 ( 1.807 0.423 -2.774) 3.338 5.635 ( 1.619 0.939 -0.330) 1.900 5.706 ( -0.738 0.792 2.061) 2.328 5.791 ( -0.733 -1.712 -2.279) 2.943 5.987 ( -2.857 4.946 1.077) 5.813 6.181 ( -0.352 1.270 -0.950) 1.624 6.223 ( -0.529 3.273 0.742) 3.398 6.550 ( -0.743 -2.817 0.223) 2.922 6.562 ( -0.175 -2.447 -0.838) 2.593 6.748 ( 1.052 -2.504 -1.464) 3.086 6.791 ( -1.326 -2.569 1.421) 3.221 7.366 ( 1.378 2.209 -1.052) 2.808 7.466 ( -2.205 5.100 2.888) 6.263 7.668 ( -1.016 0.756 -1.697) 2.118 7.753 ( -0.215 0.518 -2.956) 3.009 7.825 ( -0.144 0.846 0.394) 0.944 7.840 ( -1.101 0.724 2.597) 2.913 7.946 ( 2.019 -0.263 1.317) 2.425 8.101 ( 0.230 -0.617 0.602) 0.892 8.156 ( 0.532 -3.616 0.215) 3.661 8.173 ( -0.326 -2.438 1.090) 2.691 8.318 ( -2.018 1.556 0.322) 2.569 8.334 ( 0.467 0.388 -2.745) 2.811 9.023 ( -0.981 -1.199 1.881) 2.437 9.084 ( 0.350 0.147 -1.964) 2.001 9.097 ( 0.422 -0.880 -0.533) 1.112 9.161 ( -0.728 0.345 0.408) 0.903 11.900 ( -0.181 -0.017 0.512) 0.543 11.917 ( 0.258 -0.043 -0.607) 0.661 11.946 ( -0.524 0.014 0.184) 0.556 11.998 ( -0.310 -0.491 -0.835) 1.017 15.289 ( 0.448 1.712 0.858) 1.967 15.342 ( -0.217 0.776 0.308) 0.863 15.572 ( -0.897 -1.407 2.492) 2.999 15.615 ( 1.377 -0.020 -0.391) 1.432 15.738 ( 0.790 1.613 1.741) 2.502 15.869 ( 3.307 -1.706 -1.247) 3.925 16.001 ( -2.647 1.471 -0.851) 3.145 16.067 ( -0.691 -0.259 -1.524) 1.694 16.847 ( -0.051 -1.832 -1.386) 2.297 16.859 ( -2.569 -2.225 1.791) 3.842 17.028 ( 1.111 0.730 3.053) 3.330 17.084 ( 3.114 1.821 -0.608) 3.658 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 1.037 ( 5.445 0.654 0.430) 5.501 1.191 ( -0.554 -1.008 0.737) 1.366 1.207 ( 4.715 -5.444 -4.025) 8.251 1.257 ( 3.459 0.174 -1.196) 3.664 1.322 ( -5.789 4.031 2.843) 7.605 1.341 ( -0.729 2.794 1.171) 3.116 1.414 ( 1.643 0.401 -1.295) 2.130 1.566 ( -3.599 1.297 -1.519) 4.116 1.594 ( -0.091 -0.752 0.595) 0.964 1.723 ( 0.287 -0.324 1.024) 1.112 1.752 ( 1.323 -3.719 -3.947) 5.582 1.834 ( -4.885 1.867 -0.700) 5.276 1.977 ( -0.952 0.715 -1.966) 2.298 2.025 ( -1.517 -1.701 4.103) 4.694 2.104 ( 0.368 -2.441 -4.726) 5.332 2.129 ( -6.973 -1.961 -2.857) 7.786 2.248 ( 2.250 -0.965 4.518) 5.139 2.400 ( 1.923 -1.015 -1.519) 2.653 2.545 ( 3.399 2.811 -1.592) 4.689 2.651 ( 0.419 1.963 -2.048) 2.868 2.683 ( 0.165 -2.760 3.674) 4.599 2.795 ( -0.286 -1.438 0.156) 1.474 2.967 ( -1.589 -3.192 2.945) 4.624 3.001 ( 0.965 1.881 -3.788) 4.338 3.223 ( 0.187 -2.253 3.781) 4.405 3.243 ( 0.234 2.663 0.291) 2.689 3.418 ( 0.910 0.234 -1.051) 1.410 3.448 ( -0.965 0.425 0.639) 1.233 3.706 ( 2.791 0.333 -0.374) 2.835 3.771 ( 1.810 2.531 -0.592) 3.168 3.942 ( -0.655 -2.053 5.924) 6.304 4.102 ( -3.616 -2.284 -0.646) 4.326 4.147 ( 3.992 -0.282 -4.923) 6.345 4.197 ( -3.221 3.055 2.070) 4.899 4.443 ( 3.904 -0.643 -3.007) 4.969 4.497 ( -1.635 3.496 2.902) 4.829 4.619 ( 1.050 -0.396 0.818) 1.388 4.719 ( -1.992 2.861 -2.759) 4.446 4.833 ( 1.741 -0.857 3.098) 3.656 4.950 ( -2.205 -0.556 -1.280) 2.609 5.275 ( 2.753 1.458 2.470) 3.976 5.471 ( -1.846 0.828 -2.899) 3.536 5.627 ( 1.715 1.405 0.644) 2.309 5.715 ( 0.217 0.133 2.511) 2.524 5.814 ( 1.341 -2.673 -2.130) 3.671 5.909 ( -3.041 1.543 0.822) 3.508 6.166 ( -0.089 -0.197 -0.605) 0.643 6.179 ( -0.739 1.359 -0.020) 1.547 6.580 ( 0.128 -1.298 -0.316) 1.342 6.588 ( -0.501 -1.271 0.144) 1.374 6.785 ( 1.382 -1.495 -1.219) 2.373 6.814 ( -1.354 -0.808 1.184) 1.971 7.351 ( 1.763 0.878 -0.493) 2.030 7.402 ( -1.657 2.279 1.710) 3.296 7.654 ( 0.367 -0.481 -1.148) 1.297 7.728 ( -1.986 -0.447 -2.072) 2.904 7.817 ( 0.634 0.424 -0.427) 0.875 7.832 ( -1.062 0.531 1.634) 2.020 7.974 ( 3.044 0.712 1.629) 3.525 8.101 ( -1.410 0.320 -0.076) 1.448 8.189 ( 0.580 -0.730 -0.160) 0.946 8.210 ( -0.701 -0.840 0.502) 1.204 8.298 ( -0.276 -0.853 0.395) 0.980 8.320 ( 0.100 -0.097 -1.309) 1.316 9.051 ( 0.003 -1.467 1.294) 1.956 9.071 ( 0.514 0.755 -0.647) 1.119 9.112 ( 0.291 -0.894 -0.937) 1.327 9.146 ( -1.350 0.515 0.157) 1.454 11.903 ( -0.075 0.013 0.562) 0.567 11.915 ( 0.038 -0.036 -0.456) 0.459 11.951 ( 0.758 -0.365 0.085) 0.845 11.997 ( -0.868 -0.461 -0.366) 1.049 15.275 ( 0.518 1.029 0.815) 1.411 15.328 ( -0.926 0.454 -0.582) 1.184 15.593 ( -1.009 -0.550 2.535) 2.783 15.614 ( 1.709 0.667 -1.872) 2.621 15.735 ( 2.181 1.286 0.657) 2.615 15.871 ( -2.399 1.328 -0.936) 2.897 15.993 ( 1.084 -1.414 0.847) 1.973 16.063 ( -0.662 -0.827 -1.059) 1.498 16.869 ( 0.517 -1.699 -1.360) 2.237 16.879 ( -1.478 -1.381 1.274) 2.390 17.031 ( -0.684 1.514 3.036) 3.461 17.060 ( 1.717 2.616 -2.296) 3.881 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 1.048 ( 3.597 4.973 2.793) 6.743 1.127 ( -2.974 6.488 0.677) 7.170 1.237 ( -0.855 1.024 3.744) 3.975 1.284 ( -1.878 -3.833 -0.867) 4.355 1.297 ( 3.662 0.808 -2.998) 4.802 1.339 ( -0.989 -3.177 -1.544) 3.668 1.488 ( 5.661 -5.095 -1.222) 7.714 1.553 ( -2.897 -2.526 -0.492) 3.875 1.624 ( 1.482 -2.107 4.263) 4.980 1.743 ( -4.064 0.429 -0.378) 4.104 1.759 ( -0.853 -1.436 3.715) 4.073 1.810 ( -0.418 -5.395 -5.675) 7.841 1.971 ( 0.992 -0.285 -0.352) 1.091 2.028 ( -2.641 1.013 -2.478) 3.760 2.102 ( -0.051 -2.253 1.830) 2.903 2.146 ( -2.600 -4.063 -1.956) 5.205 2.308 ( 3.141 -0.739 3.041) 4.434 2.400 ( -3.584 -0.861 -1.875) 4.136 2.478 ( 5.554 7.800 0.076) 9.576 2.566 ( -3.169 5.824 -1.482) 6.794 2.731 ( 1.186 0.624 4.479) 4.675 2.807 ( -3.039 0.682 -0.808) 3.217 2.943 ( 5.493 1.339 -1.656) 5.891 3.023 ( -4.165 -1.397 0.651) 4.441 3.234 ( 1.842 0.060 2.241) 2.902 3.276 ( 0.308 -1.968 -1.305) 2.381 3.417 ( -0.024 -0.148 1.889) 1.895 3.445 ( 0.202 -0.697 -2.141) 2.261 3.728 ( 1.625 0.314 0.238) 1.672 3.732 ( 1.638 2.781 -0.935) 3.360 4.007 ( 2.112 -1.506 3.889) 4.674 4.092 ( -3.535 -0.919 -0.899) 3.761 4.126 ( -2.156 3.470 2.946) 5.037 4.152 ( 1.320 -0.499 -5.916) 6.082 4.419 ( -2.697 4.369 4.715) 6.971 4.439 ( 1.375 3.039 -4.788) 5.835 4.611 ( -0.048 2.301 1.421) 2.705 4.641 ( -0.985 2.781 -3.007) 4.212 4.897 ( 1.386 -3.002 3.481) 4.801 4.954 ( -0.785 -2.937 -3.081) 4.328 5.297 ( 4.519 0.819 1.436) 4.812 5.406 ( -5.428 1.019 -1.643) 5.762 5.648 ( 3.397 -0.141 0.919) 3.522 5.707 ( -2.195 0.639 0.463) 2.332 5.865 ( 1.305 -1.943 2.200) 3.212 5.909 ( -0.465 -3.273 -2.315) 4.036 6.174 ( -0.903 -1.209 1.203) 1.930 6.178 ( 0.589 -1.743 -1.503) 2.376 6.587 ( 0.502 0.523 -0.335) 0.799 6.592 ( -0.498 0.516 0.410) 0.826 6.794 ( -0.282 1.089 1.716) 2.052 6.809 ( 0.346 0.827 -1.621) 1.853 7.365 ( 0.768 -1.168 1.474) 2.031 7.392 ( -0.356 -1.809 -1.279) 2.243 7.676 ( 1.464 -1.729 -0.365) 2.295 7.714 ( -2.561 -1.428 -0.677) 3.009 7.817 ( 0.148 0.036 0.478) 0.502 7.825 ( -0.018 0.126 -0.539) 0.553 7.991 ( 3.047 1.675 1.723) 3.881 8.062 ( -2.602 1.716 -1.486) 3.453 8.188 ( 0.165 1.187 0.841) 1.464 8.202 ( -0.175 1.228 -0.883) 1.522 8.323 ( 0.599 -1.552 0.514) 1.741 8.335 ( -0.224 -1.700 -0.071) 1.717 9.062 ( 1.211 0.762 0.460) 1.503 9.080 ( 0.375 -0.838 -0.746) 1.183 9.115 ( -1.628 0.216 2.561) 3.042 9.131 ( 0.014 -0.383 -2.417) 2.448 11.906 ( 0.163 -0.031 0.435) 0.465 11.913 ( -0.174 -0.069 -0.310) 0.362 11.968 ( 1.491 -0.458 -0.011) 1.560 11.993 ( -1.296 -0.324 0.038) 1.337 15.277 ( 0.651 0.054 0.992) 1.188 15.307 ( -1.113 0.165 -1.359) 1.764 15.602 ( -0.990 0.035 2.077) 2.301 15.606 ( 1.444 0.701 -1.839) 2.441 15.739 ( 3.667 1.390 -0.902) 4.024 15.807 ( -4.704 2.139 0.494) 5.191 16.042 ( 1.494 -2.107 1.038) 2.784 16.069 ( -0.555 -1.342 -0.707) 1.615 16.892 ( -0.593 -0.456 1.459) 1.639 16.893 ( 1.244 -1.330 -1.566) 2.402 16.999 ( 0.837 3.159 -1.311) 3.521 17.012 ( -2.141 2.576 0.902) 3.469 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 1.005 ( 3.568 4.174 -10.482) 11.833 1.005 ( -3.568 4.174 10.482) 11.833 1.244 ( 1.412 1.700 -7.071) 7.409 1.244 ( -1.412 1.700 7.071) 7.409 1.385 ( -0.062 -5.340 -3.777) 6.541 1.385 ( 0.062 -5.340 3.777) 6.541 1.555 ( 0.899 -0.177 -2.882) 3.024 1.555 ( -0.899 -0.177 2.882) 3.024 1.709 ( -1.088 -1.291 -1.549) 2.291 1.709 ( 1.088 -1.291 1.549) 2.291 1.853 ( -0.122 -4.544 -6.554) 7.976 1.853 ( 0.122 -4.544 6.554) 7.976 1.983 ( -1.595 -0.197 0.170) 1.616 1.983 ( 1.595 -0.197 -0.170) 1.616 2.167 ( -0.629 -2.581 -3.151) 4.121 2.167 ( 0.629 -2.581 3.151) 4.121 2.348 ( -2.892 1.572 -0.418) 3.318 2.348 ( 2.892 1.572 0.418) 3.318 2.431 ( -1.104 4.230 -3.033) 5.321 2.431 ( 1.104 4.230 3.033) 5.321 2.726 ( -1.802 4.651 -2.238) 5.467 2.726 ( 1.802 4.651 2.238) 5.467 2.987 ( -5.217 -0.332 -1.372) 5.405 2.987 ( 5.217 -0.332 1.372) 5.405 3.277 ( 0.142 -1.293 -5.021) 5.187 3.277 ( -0.142 -1.293 5.021) 5.187 3.440 ( 1.612 -0.200 -5.392) 5.632 3.440 ( -1.612 -0.200 5.392) 5.632 3.719 ( -1.294 0.390 -0.721) 1.532 3.719 ( 1.294 0.390 0.721) 1.532 4.043 ( -0.302 2.201 -5.408) 5.846 4.043 ( 0.302 2.201 5.408) 5.846 4.118 ( -1.348 0.734 -6.210) 6.397 4.118 ( 1.348 0.734 6.210) 6.397 4.369 ( 2.013 2.416 -6.245) 6.992 4.369 ( -2.013 2.416 6.245) 6.992 4.583 ( -0.314 2.171 -2.088) 3.028 4.583 ( 0.314 2.171 2.088) 3.028 4.985 ( -0.401 -4.045 -4.589) 6.130 4.985 ( 0.401 -4.045 4.589) 6.130 5.345 ( -0.332 -0.243 -4.747) 4.764 5.345 ( 0.332 -0.243 4.747) 4.764 5.680 ( -2.140 -0.070 -0.542) 2.209 5.680 ( 2.140 -0.070 0.542) 2.209 5.932 ( -1.287 -2.516 -4.387) 5.218 5.932 ( 1.287 -2.516 4.387) 5.218 6.207 ( 1.054 -2.290 -2.787) 3.758 6.207 ( -1.054 -2.290 2.787) 3.758 6.570 ( 0.934 1.843 -1.027) 2.308 6.570 ( -0.934 1.843 1.027) 2.308 6.773 ( 0.611 2.408 -2.224) 3.334 6.773 ( -0.611 2.408 2.224) 3.334 7.425 ( -0.127 -4.087 -3.646) 5.479 7.425 ( 0.127 -4.087 3.646) 5.479 7.723 ( -0.010 -2.310 -1.444) 2.724 7.723 ( 0.010 -2.310 1.444) 2.724 7.824 ( 1.900 -0.448 -3.205) 3.753 7.824 ( -1.900 -0.448 3.205) 3.753 7.996 ( -1.565 2.199 -2.824) 3.906 7.996 ( 1.565 2.199 2.824) 3.906 8.164 ( 0.431 2.707 -1.246) 3.011 8.164 ( -0.431 2.707 1.246) 3.011 8.354 ( 1.659 -1.251 -2.735) 3.435 8.354 ( -1.659 -1.251 2.735) 3.435 9.068 ( -1.363 0.550 -0.689) 1.623 9.068 ( 1.363 0.550 0.689) 1.623 9.125 ( -0.249 -0.392 -1.700) 1.763 9.125 ( 0.249 -0.392 1.700) 1.763 11.911 ( 0.138 -0.067 -0.616) 0.635 11.911 ( -0.138 -0.067 0.616) 0.635 11.987 ( -0.986 -0.259 0.106) 1.025 11.987 ( 0.986 -0.259 -0.106) 1.025 15.295 ( -0.518 -0.730 -1.346) 1.616 15.295 ( 0.518 -0.730 1.346) 1.616 15.593 ( 0.705 1.537 -1.696) 2.395 15.593 ( -0.705 1.537 1.696) 2.395 15.746 ( 2.001 1.025 -2.113) 3.085 15.746 ( -2.001 1.025 2.113) 3.085 16.086 ( -0.120 -1.769 -0.560) 1.859 16.086 ( 0.120 -1.769 0.560) 1.859 16.905 ( -0.541 -0.200 -1.899) 1.984 16.905 ( 0.541 -0.200 1.899) 1.984 16.951 ( 3.992 2.965 -3.168) 5.896 16.951 ( -3.992 2.965 3.168) 5.896 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.904 ( 7.752 -0.000 -12.097) 14.368 1.099 ( 7.458 -0.000 -8.121) 11.026 1.233 ( -7.196 0.000 8.952) 11.486 1.241 ( 0.578 -0.000 -0.193) 0.609 1.454 ( -5.457 0.000 2.237) 5.898 1.462 ( 0.605 -0.000 -5.074) 5.110 1.535 ( 1.872 -0.000 -4.379) 4.763 1.550 ( 0.728 -0.000 -3.397) 3.475 1.606 ( -5.833 0.000 10.166) 11.721 1.733 ( 2.648 -0.000 -5.524) 6.126 1.834 ( -0.603 0.000 1.109) 1.262 1.846 ( 5.047 -0.000 -9.654) 10.894 1.940 ( -0.058 0.000 0.119) 0.132 2.035 ( -6.942 0.000 -0.598) 6.968 2.117 ( 1.029 -0.000 -4.876) 4.983 2.150 ( 1.131 -0.000 3.552) 3.727 2.174 ( -3.083 0.000 3.446) 4.623 2.309 ( -1.020 0.000 -1.759) 2.033 2.467 ( 1.938 -0.000 -3.413) 3.925 2.518 ( 1.502 -0.000 -1.151) 1.892 2.573 ( 5.776 -0.000 -6.494) 8.691 2.620 ( -0.289 0.000 1.063) 1.102 2.975 ( -1.308 0.000 9.687) 9.775 3.123 ( 1.531 -0.000 -0.874) 1.763 3.244 ( 0.937 -0.000 -0.539) 1.081 3.338 ( -3.153 0.000 0.151) 3.156 3.360 ( -2.606 0.000 4.251) 4.986 3.508 ( -2.953 0.000 1.919) 3.522 3.725 ( 4.624 -0.000 -3.608) 5.865 3.776 ( 2.372 -0.000 -0.018) 2.372 3.867 ( -5.217 0.000 4.537) 6.914 3.941 ( 4.493 -0.000 -3.716) 5.830 4.212 ( 2.870 -0.000 -1.708) 3.339 4.244 ( -3.264 0.000 8.919) 9.497 4.372 ( 8.638 -0.000 -9.894) 13.134 4.529 ( 1.857 -0.000 4.464) 4.834 4.590 ( -3.222 0.000 8.644) 9.225 4.699 ( 3.511 -0.000 4.680) 5.850 4.869 ( -2.115 0.000 -3.769) 4.322 5.022 ( -6.162 0.000 -0.134) 6.164 5.322 ( 2.610 -0.000 1.393) 2.958 5.512 ( 1.437 -0.000 -1.847) 2.340 5.644 ( 1.230 -0.000 -2.001) 2.349 5.700 ( -1.479 0.000 3.834) 4.110 5.782 ( -0.394 0.000 -1.912) 1.952 6.100 ( -1.809 0.000 -2.786) 3.322 6.236 ( 1.183 -0.000 0.601) 1.327 6.283 ( -1.610 0.000 4.752) 5.017 6.486 ( -1.247 0.000 -1.196) 1.728 6.496 ( 0.209 -0.000 -2.931) 2.938 6.704 ( -3.012 0.000 4.518) 5.430 6.712 ( 1.662 -0.000 -3.525) 3.897 7.421 ( 1.316 -0.000 -0.853) 1.568 7.599 ( -2.953 0.000 2.573) 3.916 7.677 ( -2.154 0.000 -1.154) 2.444 7.783 ( -1.733 0.000 -2.209) 2.808 7.824 ( -1.227 0.000 3.128) 3.360 7.865 ( 1.044 -0.000 -1.805) 2.086 7.980 ( 0.901 -0.000 2.256) 2.429 8.003 ( 0.717 -0.000 2.013) 2.137 8.105 ( 0.925 -0.000 -1.009) 1.369 8.117 ( 0.820 -0.000 0.591) 1.011 8.316 ( -2.733 0.000 1.320) 3.035 8.367 ( 0.066 -0.000 -2.769) 2.770 9.008 ( -2.172 0.000 2.855) 3.588 9.061 ( 1.549 -0.000 -4.077) 4.361 9.099 ( -0.861 0.000 1.411) 1.653 9.162 ( 0.766 -0.000 -1.662) 1.830 11.900 ( -0.477 0.000 0.876) 0.997 11.915 ( 0.544 -0.000 -0.992) 1.132 11.948 ( -1.188 0.000 0.406) 1.256 11.988 ( -0.174 0.000 -1.514) 1.524 15.325 ( 0.633 -0.000 1.100) 1.269 15.374 ( 0.362 -0.000 0.169) 0.400 15.564 ( 0.217 -0.000 2.737) 2.746 15.569 ( -0.487 0.000 4.059) 4.088 15.801 ( 3.658 -0.000 0.485) 3.690 15.808 ( 2.318 -0.000 -1.412) 2.714 16.036 ( -3.186 0.000 -2.023) 3.774 16.063 ( -0.729 0.000 -2.878) 2.968 16.803 ( -1.283 0.000 0.531) 1.389 16.816 ( -1.668 0.000 0.502) 1.741 17.043 ( 3.441 -0.000 0.997) 3.582 17.119 ( 2.270 -0.000 3.126) 3.863 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.943 ( 9.218 -3.936 -9.196) 13.603 1.109 ( 5.908 0.822 -6.110) 8.539 1.168 ( -2.403 1.223 -2.194) 3.476 1.265 ( -6.682 -2.042 4.607) 8.370 1.428 ( -3.572 1.195 2.152) 4.338 1.439 ( -0.164 1.625 -1.920) 2.520 1.478 ( 2.618 2.391 -0.997) 3.683 1.571 ( -0.763 0.042 0.252) 0.805 1.600 ( -2.601 -1.049 1.816) 3.342 1.706 ( -1.049 1.997 -3.414) 4.092 1.795 ( 4.705 4.035 -5.289) 8.148 1.870 ( 1.068 -0.787 -0.489) 1.414 1.951 ( -2.409 -3.269 -0.115) 4.063 1.979 ( -5.482 -1.086 -1.443) 5.772 2.079 ( -0.096 2.394 -1.901) 3.058 2.151 ( -3.845 1.196 -1.130) 4.183 2.218 ( 3.763 -0.812 5.064) 6.361 2.331 ( 2.921 -3.232 0.925) 4.453 2.463 ( -1.032 -1.866 -2.185) 3.053 2.559 ( 1.248 -3.933 -0.451) 4.151 2.613 ( 3.569 -3.756 -4.422) 6.812 2.642 ( -0.960 -3.231 -2.598) 4.255 3.015 ( 0.334 1.675 9.197) 9.355 3.100 ( 0.567 2.791 -2.170) 3.580 3.232 ( 0.838 2.086 -0.265) 2.263 3.284 ( -2.976 1.715 1.372) 3.699 3.393 ( 0.560 -1.764 0.828) 2.027 3.483 ( -3.369 0.498 1.603) 3.764 3.746 ( 4.021 1.049 -2.001) 4.612 3.804 ( 2.273 -0.139 1.710) 2.848 3.863 ( -3.537 -1.740 5.035) 6.395 3.982 ( 1.396 -3.728 -3.565) 5.344 4.197 ( 1.757 2.285 -1.568) 3.282 4.256 ( -3.577 0.454 4.597) 5.843 4.408 ( 10.826 -0.559 -8.070) 13.514 4.563 ( -3.750 -0.946 5.287) 6.550 4.598 ( 1.584 1.931 5.098) 5.677 4.745 ( -1.107 -0.806 1.905) 2.346 4.847 ( 0.661 0.178 -0.584) 0.900 4.964 ( -4.639 0.650 -1.173) 4.829 5.335 ( 2.800 2.156 3.015) 4.646 5.495 ( -0.127 0.804 -3.553) 3.645 5.653 ( 2.546 -0.302 -1.486) 2.963 5.717 ( -2.145 -1.105 3.264) 4.059 5.775 ( 2.560 1.146 -0.537) 2.856 6.023 ( -5.165 3.526 -1.932) 6.545 6.217 ( 1.060 3.245 0.842) 3.516 6.276 ( -0.787 3.037 1.278) 3.388 6.493 ( -1.238 -3.102 0.454) 3.371 6.510 ( 0.031 -2.900 -2.293) 3.697 6.715 ( 0.470 -1.771 -0.163) 1.840 6.739 ( -1.103 -3.013 0.621) 3.268 7.419 ( 2.811 2.252 0.184) 3.606 7.540 ( -3.284 4.732 2.393) 6.237 7.656 ( -1.158 0.232 -1.144) 1.644 7.735 ( -2.103 0.710 -4.111) 4.672 7.834 ( -0.461 0.118 1.776) 1.838 7.860 ( -0.132 0.796 0.479) 0.939 7.975 ( 2.173 0.547 2.294) 3.207 8.078 ( -1.457 -3.347 0.374) 3.669 8.106 ( 1.895 -1.696 0.376) 2.571 8.149 ( 0.431 -1.949 0.104) 1.999 8.306 ( -2.251 -0.284 1.231) 2.581 8.338 ( -0.101 1.287 -3.007) 3.273 9.013 ( -1.523 -0.608 3.207) 3.602 9.058 ( 1.302 -1.024 -4.264) 4.574 9.102 ( -0.165 0.181 1.647) 1.665 9.156 ( -0.309 0.036 -1.338) 1.374 11.903 ( -0.399 0.008 1.201) 1.266 11.914 ( 0.537 -0.067 -1.103) 1.229 11.943 ( -0.349 -0.084 0.327) 0.485 11.980 ( -0.626 -0.454 -1.267) 1.484 15.326 ( 0.533 1.408 1.333) 2.010 15.361 ( -0.064 1.543 -0.354) 1.584 15.572 ( 0.100 -0.117 3.549) 3.552 15.614 ( 0.393 -1.356 1.227) 1.871 15.788 ( 1.634 2.138 1.151) 2.927 15.859 ( 2.597 -1.805 -1.427) 3.469 15.991 ( -2.215 0.857 -1.313) 2.713 16.042 ( -1.063 -0.374 -2.500) 2.742 16.812 ( -0.371 -1.742 -0.314) 1.808 16.817 ( -1.620 -1.360 1.011) 2.345 17.071 ( 2.572 0.790 1.543) 3.102 17.132 ( 0.669 1.537 1.200) 2.061 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 1.058 ( 5.368 -4.470 -1.020) 7.060 1.123 ( -0.397 -3.399 -1.436) 3.711 1.171 ( 9.362 -2.144 -9.466) 13.485 1.260 ( -7.637 -1.561 6.078) 9.884 1.362 ( -2.021 4.287 3.248) 5.746 1.396 ( -1.460 2.178 -0.915) 2.777 1.466 ( 3.470 3.737 0.486) 5.123 1.557 ( -4.447 2.515 -2.560) 5.714 1.590 ( -1.245 -0.259 4.363) 4.544 1.649 ( 0.292 -2.233 -7.003) 7.356 1.762 ( 5.066 2.845 -2.180) 6.205 1.839 ( -5.335 2.972 1.375) 6.260 1.969 ( -1.292 -1.620 1.823) 2.760 1.994 ( -1.296 -3.211 -1.217) 3.670 2.042 ( -0.572 0.317 0.712) 0.967 2.081 ( -1.876 1.252 -3.891) 4.497 2.282 ( 2.910 -0.664 4.603) 5.486 2.373 ( -0.892 -0.595 -3.253) 3.425 2.552 ( 3.723 -5.993 2.022) 7.340 2.632 ( -1.084 -4.092 0.874) 4.323 2.654 ( 1.057 -1.183 -1.901) 2.476 2.692 ( -1.225 -7.181 -4.211) 8.414 3.006 ( -0.910 4.342 6.915) 8.216 3.040 ( 1.555 3.796 -3.992) 5.724 3.225 ( 0.538 -0.325 2.602) 2.677 3.257 ( -1.062 0.142 -0.485) 1.176 3.424 ( 2.059 -0.430 -0.753) 2.234 3.455 ( -2.495 0.878 1.301) 2.948 3.746 ( 4.236 1.361 -1.124) 4.589 3.801 ( -1.960 1.078 0.461) 2.284 3.934 ( -0.001 -3.221 7.173) 7.862 4.018 ( -1.350 -3.439 -4.581) 5.885 4.174 ( 3.535 1.954 -2.039) 4.524 4.220 ( -3.887 2.192 2.013) 4.895 4.466 ( 8.742 -0.301 -5.473) 10.318 4.538 ( -5.942 1.811 5.244) 8.129 4.634 ( 3.080 -0.171 2.190) 3.783 4.716 ( -3.232 1.224 -2.228) 4.111 4.861 ( 1.671 0.281 2.399) 2.937 4.917 ( -2.596 0.210 -1.692) 3.106 5.350 ( 3.206 1.886 4.080) 5.520 5.448 ( -2.143 1.117 -4.242) 4.883 5.674 ( 3.238 0.483 -0.054) 3.275 5.723 ( -2.616 -0.302 1.609) 3.086 5.795 ( 4.783 -0.171 0.091) 4.787 5.908 ( -5.980 2.878 -1.001) 6.712 6.182 ( 0.922 2.447 0.390) 2.644 6.209 ( -1.269 3.531 -0.350) 3.769 6.544 ( -0.197 -3.162 0.246) 3.178 6.549 ( -0.290 -2.992 -0.556) 3.057 6.758 ( 1.978 -2.587 -1.430) 3.556 6.778 ( -2.082 -2.663 1.446) 3.676 7.401 ( 3.296 3.058 -0.413) 4.515 7.448 ( -3.287 4.404 1.979) 5.840 7.648 ( 0.591 -0.206 -0.167) 0.648 7.691 ( -2.033 -0.083 -3.082) 3.693 7.832 ( 0.834 0.773 -0.059) 1.139 7.844 ( -1.214 0.982 1.345) 2.060 8.016 ( 3.232 -0.459 1.946) 3.801 8.081 ( -2.174 -0.740 -0.767) 2.421 8.172 ( 1.067 -2.534 -0.179) 2.755 8.181 ( -0.513 -1.959 0.969) 2.245 8.295 ( -1.374 0.401 1.511) 2.081 8.308 ( 0.418 0.115 -2.844) 2.876 9.037 ( -0.781 -1.330 3.046) 3.414 9.062 ( 0.910 -1.045 -3.624) 3.880 9.110 ( 0.650 0.135 1.175) 1.350 9.140 ( -1.285 0.329 -0.748) 1.523 11.906 ( -0.340 0.034 1.101) 1.153 11.912 ( 0.319 -0.000 -0.982) 1.033 11.952 ( 0.829 -0.512 0.310) 1.022 11.976 ( -1.087 -0.681 -0.727) 1.474 15.310 ( 0.547 1.848 1.143) 2.240 15.331 ( -0.621 1.397 -0.711) 1.686 15.598 ( -0.390 -0.297 3.433) 3.468 15.622 ( 0.980 0.288 -2.361) 2.572 15.788 ( 2.410 1.493 2.253) 3.621 15.860 ( -1.993 0.787 -2.474) 3.273 15.987 ( 1.092 -1.074 1.195) 1.943 16.030 ( -1.322 -1.013 -1.846) 2.487 16.837 ( 0.514 -1.963 -1.041) 2.281 16.841 ( -1.467 -2.254 1.223) 2.955 17.076 ( 0.679 1.902 2.535) 3.242 17.103 ( 0.572 2.501 -1.575) 3.010 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 1.154 ( -2.298 -1.580 -5.117) 5.828 1.154 ( 2.298 -1.580 5.117) 5.828 1.226 ( 0.602 0.397 -1.055) 1.278 1.226 ( -0.602 0.397 1.055) 1.278 1.340 ( 1.883 2.313 -2.849) 4.125 1.340 ( -1.883 2.313 2.849) 4.125 1.468 ( -4.466 -1.226 -0.722) 4.688 1.468 ( 4.466 -1.226 0.722) 4.688 1.650 ( -2.184 -2.500 -6.736) 7.509 1.650 ( 2.184 -2.500 6.736) 7.509 1.759 ( -2.458 1.043 -0.272) 2.684 1.759 ( 2.458 1.043 0.272) 2.684 1.997 ( -0.886 -0.059 -3.203) 3.323 1.997 ( 0.886 -0.059 3.203) 3.323 2.071 ( 1.626 -2.717 -4.284) 5.327 2.071 ( -1.626 -2.717 4.284) 5.327 2.343 ( -3.155 -0.778 -3.593) 4.844 2.343 ( 3.155 -0.778 3.593) 4.844 2.608 ( -2.320 2.949 -0.722) 3.821 2.608 ( 2.320 2.949 0.722) 3.821 2.750 ( -1.094 -3.879 -3.910) 5.615 2.750 ( 1.094 -3.879 3.910) 5.615 2.981 ( 3.054 1.029 -5.613) 6.472 2.981 ( -3.054 1.029 5.613) 6.472 3.252 ( 1.332 -0.558 -2.322) 2.734 3.252 ( -1.332 -0.558 2.322) 2.734 3.431 ( 2.659 0.553 -4.165) 4.972 3.431 ( -2.659 0.553 4.165) 4.972 3.761 ( -0.465 1.168 -1.767) 2.168 3.761 ( 0.465 1.168 1.767) 2.168 4.019 ( -1.544 -2.239 -5.200) 5.868 4.019 ( 1.544 -2.239 5.200) 5.868 4.163 ( 4.087 2.034 -4.285) 6.261 4.163 ( -4.087 2.034 4.285) 6.261 4.480 ( 3.876 2.688 -3.774) 6.041 4.480 ( -3.876 2.688 3.774) 6.041 4.657 ( -1.266 1.640 -2.512) 3.257 4.657 ( 1.266 1.640 2.512) 3.257 4.894 ( -1.405 -1.121 -2.702) 3.245 4.894 ( 1.405 -1.121 2.702) 3.245 5.373 ( -0.942 1.871 -6.008) 6.363 5.373 ( 0.942 1.871 6.008) 6.363 5.693 ( -3.812 0.936 -0.211) 3.930 5.693 ( 3.812 0.936 0.211) 3.930 5.851 ( -3.241 -1.647 -0.097) 3.637 5.851 ( 3.241 -1.647 0.097) 3.637 6.165 ( 0.453 0.541 -0.781) 1.052 6.165 ( -0.453 0.541 0.781) 1.052 6.582 ( 0.523 -1.466 -0.387) 1.604 6.582 ( -0.523 -1.466 0.387) 1.604 6.799 ( 1.793 -1.223 -2.208) 3.096 6.799 ( -1.793 -1.223 2.208) 3.096 7.382 ( 1.467 1.712 -1.980) 3.000 7.382 ( -1.467 1.712 1.980) 3.000 7.670 ( -0.818 -0.915 -1.626) 2.037 7.670 ( 0.818 -0.915 1.626) 2.037 7.827 ( 1.383 0.597 -1.606) 2.201 7.827 ( -1.383 0.597 1.606) 2.201 8.051 ( -0.120 0.929 -3.757) 3.871 8.051 ( 0.120 0.929 3.757) 3.871 8.200 ( 0.196 -0.544 -0.367) 0.685 8.200 ( -0.196 -0.544 0.367) 0.685 8.306 ( -0.049 -1.200 -1.071) 1.610 8.306 ( 0.049 -1.200 1.071) 1.610 9.067 ( 0.410 -0.901 -1.724) 1.988 9.067 ( -0.410 -0.901 1.724) 1.988 9.119 ( 0.240 0.227 -1.504) 1.540 9.119 ( -0.240 0.227 1.504) 1.540 11.909 ( 0.278 -0.017 -0.933) 0.974 11.909 ( -0.278 -0.017 0.933) 0.974 11.973 ( -1.366 -0.615 -0.291) 1.526 11.973 ( 1.366 -0.615 0.291) 1.526 15.300 ( -0.657 0.985 -1.346) 1.793 15.300 ( 0.657 0.985 1.346) 1.793 15.610 ( 1.200 0.236 -3.052) 3.288 15.610 ( -1.200 0.236 3.052) 3.288 15.800 ( 0.111 1.775 -4.015) 4.391 15.800 ( -0.111 1.775 4.015) 4.391 16.031 ( -1.319 -1.648 -1.429) 2.549 16.031 ( 1.319 -1.648 1.429) 2.549 16.869 ( 1.672 -1.859 -2.215) 3.340 16.869 ( -1.672 -1.859 2.215) 3.340 17.052 ( 2.181 2.942 -4.394) 5.720 17.052 ( -2.181 2.942 4.394) 5.720 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 0.951 ( 11.181 -0.000 -6.261) 12.815 1.125 ( -3.261 0.000 -3.605) 4.861 1.137 ( 1.937 -0.000 -8.689) 8.903 1.181 ( -9.079 0.000 8.287) 12.293 1.438 ( -0.578 0.000 2.687) 2.748 1.448 ( 1.377 -0.000 -1.895) 2.343 1.516 ( -0.543 0.000 -0.227) 0.589 1.521 ( -0.243 0.000 -1.688) 1.705 1.645 ( -2.815 0.000 8.936) 9.369 1.700 ( 2.043 -0.000 -7.295) 7.576 1.851 ( 5.901 -0.000 -6.046) 8.449 1.851 ( 0.770 -0.000 1.217) 1.440 1.895 ( -2.552 0.000 -0.802) 2.675 1.919 ( -6.106 0.000 0.877) 6.168 2.099 ( 2.439 -0.000 -3.078) 3.927 2.131 ( -3.626 0.000 0.775) 3.708 2.298 ( 6.801 -0.000 5.162) 8.538 2.327 ( 0.766 -0.000 4.343) 4.410 2.427 ( -1.842 0.000 -2.380) 3.010 2.487 ( -3.321 0.000 -5.031) 6.028 2.601 ( -2.315 0.000 3.926) 4.557 2.603 ( 5.626 -0.000 -6.817) 8.839 3.069 ( -0.518 0.000 7.199) 7.218 3.113 ( 0.510 -0.000 -3.043) 3.086 3.260 ( 1.521 -0.000 -0.885) 1.760 3.285 ( -2.542 0.000 0.156) 2.547 3.392 ( 1.331 -0.000 2.856) 3.151 3.454 ( -3.339 0.000 -0.555) 3.385 3.784 ( 4.406 -0.000 -1.412) 4.627 3.820 ( 0.098 -0.000 0.390) 0.402 3.859 ( -0.874 0.000 5.557) 5.626 3.931 ( -1.091 0.000 -3.503) 3.669 4.225 ( 4.864 -0.000 -5.477) 7.325 4.253 ( -5.846 0.000 6.909) 9.050 4.456 ( 12.085 -0.000 -8.665) 14.871 4.543 ( -8.153 0.000 7.880) 11.338 4.653 ( 2.052 -0.000 3.271) 3.861 4.722 ( -3.185 0.000 -0.235) 3.193 4.863 ( 2.870 -0.000 0.564) 2.925 4.926 ( -3.702 0.000 -1.051) 3.848 5.394 ( 2.985 -0.000 2.599) 3.958 5.473 ( -2.026 0.000 -3.111) 3.713 5.662 ( 3.467 -0.000 -2.291) 4.155 5.696 ( -3.439 0.000 2.781) 4.423 5.833 ( 6.159 -0.000 1.466) 6.331 5.982 ( -7.247 0.000 -2.642) 7.713 6.277 ( 2.537 -0.000 0.131) 2.540 6.303 ( -1.825 0.000 2.719) 3.275 6.457 ( -1.519 0.000 0.823) 1.727 6.462 ( 0.704 -0.000 -3.428) 3.499 6.704 ( -2.561 0.000 3.858) 4.631 6.705 ( 2.107 -0.000 -3.358) 3.964 7.475 ( 4.299 -0.000 1.233) 4.473 7.559 ( -4.108 0.000 0.687) 4.165 7.649 ( -0.653 0.000 0.929) 1.136 7.693 ( -2.429 0.000 -4.311) 4.948 7.844 ( 0.047 -0.000 1.997) 1.998 7.863 ( 0.116 -0.000 -1.010) 1.017 8.020 ( 1.553 -0.000 0.560) 1.651 8.033 ( -1.037 0.000 2.781) 2.968 8.108 ( 2.702 -0.000 -3.188) 4.179 8.125 ( -1.572 0.000 1.465) 2.149 8.301 ( -0.819 0.000 1.877) 2.048 8.328 ( -0.654 0.000 -2.581) 2.662 9.014 ( -1.641 0.000 3.867) 4.201 9.037 ( 1.401 -0.000 -4.377) 4.596 9.114 ( 0.243 -0.000 1.980) 1.995 9.144 ( -0.257 0.000 -2.060) 2.076 11.907 ( -0.662 0.000 1.655) 1.782 11.912 ( 0.764 -0.000 -1.444) 1.634 11.943 ( 0.117 -0.000 0.547) 0.559 11.963 ( -0.708 0.000 -1.265) 1.449 15.351 ( 0.713 -0.000 1.151) 1.354 15.371 ( -0.317 0.000 -0.660) 0.732 15.601 ( 1.363 -0.000 0.503) 1.453 15.605 ( -1.134 0.000 3.668) 3.839 15.828 ( 1.308 -0.000 0.065) 1.310 15.848 ( 1.086 -0.000 -1.098) 1.544 15.981 ( -0.661 0.000 0.243) 0.705 16.014 ( -1.140 0.000 -2.811) 3.033 16.795 ( -0.177 0.000 0.170) 0.245 16.799 ( -0.814 0.000 0.293) 0.865 17.108 ( 2.863 -0.000 0.702) 2.947 17.147 ( -1.431 0.000 0.931) 1.707 ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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| 1.046 ( -3.190 -2.128 -1.408) 4.086 1.046 ( 3.190 -2.128 1.408) 4.086 1.174 ( 10.181 -2.329 -8.760) 13.632 1.174 ( -10.181 -2.329 8.760) 13.632 1.422 ( 0.437 2.700 -1.586) 3.162 1.422 ( -0.437 2.700 1.586) 3.162 1.525 ( -1.579 -0.839 -2.274) 2.893 1.525 ( 1.579 -0.839 2.274) 2.893 1.639 ( 0.133 3.373 -5.862) 6.764 1.639 ( -0.133 3.373 5.862) 6.764 1.843 ( 2.234 2.165 -2.702) 4.121 1.843 ( -2.234 2.165 2.702) 4.121 1.922 ( 3.190 -3.703 -3.953) 6.286 1.922 ( -3.190 -3.703 3.953) 6.286 2.085 ( 0.494 2.598 -1.818) 3.209 2.085 ( -0.494 2.598 1.818) 3.209 2.336 ( -2.687 0.907 -4.562) 5.372 2.336 ( 2.687 0.907 4.562) 5.372 2.489 ( -2.850 -6.898 -5.648) 9.359 2.489 ( 2.850 -6.898 5.648) 9.359 2.624 ( 2.456 -1.968 -4.811) 5.749 2.624 ( -2.456 -1.968 4.811) 5.749 3.083 ( 1.463 2.116 -4.518) 5.199 3.083 ( -1.463 2.116 4.518) 5.199 3.251 ( -1.505 1.410 0.045) 2.063 3.251 ( 1.505 1.410 -0.045) 2.063 3.433 ( -1.139 -0.891 -1.584) 2.145 3.433 ( 1.139 -0.891 1.584) 2.145 3.797 ( 0.383 1.266 -0.637) 1.468 3.797 ( -0.383 1.266 0.637) 1.468 3.924 ( -0.901 -3.183 -5.527) 6.441 3.924 ( 0.901 -3.183 5.527) 6.441 4.226 ( 4.787 1.509 -5.115) 7.166 4.226 ( -4.787 1.509 5.115) 7.166 4.510 ( 10.457 -0.234 -7.649) 12.958 4.510 ( -10.457 -0.234 7.649) 12.958 4.685 ( -3.776 0.526 -1.646) 4.153 4.685 ( 3.776 0.526 1.646) 4.153 4.892 ( -2.273 0.160 -1.436) 2.693 4.892 ( 2.273 0.160 1.436) 2.693 5.424 ( -1.642 1.265 -4.555) 5.005 5.424 ( 1.642 1.265 4.555) 5.005 5.689 ( 2.360 -0.998 -1.813) 3.139 5.689 ( -2.360 -0.998 1.813) 3.139 5.883 ( -5.534 2.307 -3.261) 6.825 5.883 ( 5.534 2.307 3.261) 6.825 6.256 ( 0.224 4.076 -2.273) 4.672 6.256 ( -0.224 4.076 2.273) 4.672 6.490 ( 0.664 -3.579 -1.814) 4.067 6.490 ( -0.664 -3.579 1.814) 4.067 6.725 ( 1.746 -2.399 -2.438) 3.841 6.725 ( -1.746 -2.399 2.438) 3.841 7.489 ( -3.597 3.576 -0.363) 5.084 7.489 ( 3.597 3.576 0.363) 5.084 7.659 ( -1.089 -0.039 -2.376) 2.614 7.659 ( 1.089 -0.039 2.376) 2.614 7.852 ( -0.242 0.565 -0.858) 1.056 7.852 ( 0.242 0.565 0.858) 1.056 8.038 ( 0.316 -0.849 -3.766) 3.874 8.038 ( -0.316 -0.849 3.766) 3.874 8.141 ( 0.883 -2.530 -2.354) 3.567 8.141 ( -0.883 -2.530 2.354) 3.567 8.305 ( 0.349 0.604 -2.467) 2.564 8.305 ( -0.349 0.604 2.467) 2.564 9.032 ( 1.277 -0.888 -4.094) 4.379 9.032 ( -1.277 -0.888 4.094) 4.379 9.128 ( -0.618 0.169 -1.841) 1.949 9.128 ( 0.618 0.169 1.841) 1.949 11.910 ( 0.648 0.024 -1.461) 1.599 11.910 ( -0.648 0.024 1.461) 1.599 11.954 ( -0.789 -0.420 -0.777) 1.185 11.954 ( 0.789 -0.420 0.777) 1.185 15.348 ( -0.334 1.612 -1.105) 1.983 15.348 ( 0.334 1.612 1.105) 1.983 15.612 ( 0.265 -0.207 -2.547) 2.569 15.612 ( -0.265 -0.207 2.547) 2.569 15.837 ( -1.092 0.513 -2.987) 3.222 15.837 ( 1.092 0.513 2.987) 3.222 15.994 ( -1.232 -0.533 -1.971) 2.385 15.994 ( 1.232 -0.533 1.971) 2.385 16.808 ( 0.817 -1.493 -1.143) 2.050 16.808 ( -0.817 -1.493 1.143) 2.050 17.122 ( -0.186 1.330 -1.852) 2.288 17.122 ( 0.186 1.330 1.852) 2.288 =================== 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 3/24696 10.0 81.809 84.247 85.408 0.000 -21.704 0.000 3/24696 20.0 14.717 18.004 17.171 -0.000 -3.990 0.000 3/24696 30.0 6.549 8.070 7.743 -0.000 -1.700 0.000 3/24696 40.0 4.019 4.920 4.759 -0.000 -1.012 0.000 3/24696 50.0 2.865 3.484 3.392 -0.000 -0.710 0.000 3/24696 60.0 2.219 2.685 2.627 -0.000 -0.547 0.000 3/24696 70.0 1.811 2.183 2.144 -0.000 -0.445 0.000 3/24696 80.0 1.530 1.840 1.812 -0.000 -0.377 0.000 3/24696 90.0 1.327 1.592 1.571 -0.000 -0.327 0.000 3/24696 100.0 1.172 1.404 1.388 -0.000 -0.290 0.000 3/24696 110.0 1.050 1.257 1.245 -0.000 -0.261 0.000 3/24696 120.0 0.952 1.139 1.129 -0.000 -0.237 0.000 3/24696 130.0 0.872 1.042 1.034 -0.000 -0.218 0.000 3/24696 140.0 0.805 0.960 0.955 -0.000 -0.202 0.000 3/24696 150.0 0.748 0.891 0.887 -0.000 -0.188 0.000 3/24696 160.0 0.698 0.832 0.829 -0.000 -0.176 0.000 3/24696 170.0 0.656 0.780 0.779 -0.000 -0.166 0.000 3/24696 180.0 0.618 0.735 0.734 -0.000 -0.157 0.000 3/24696 190.0 0.585 0.695 0.695 -0.000 -0.149 0.000 3/24696 200.0 0.555 0.659 0.660 -0.000 -0.142 0.000 3/24696 210.0 0.528 0.627 0.628 -0.000 -0.135 0.000 3/24696 220.0 0.504 0.598 0.600 -0.000 -0.130 0.000 3/24696 230.0 0.482 0.572 0.574 -0.000 -0.124 0.000 3/24696 240.0 0.462 0.547 0.550 -0.000 -0.119 0.000 3/24696 250.0 0.444 0.525 0.528 -0.000 -0.115 0.000 3/24696 260.0 0.427 0.505 0.508 -0.000 -0.111 0.000 3/24696 270.0 0.411 0.486 0.489 -0.000 -0.107 0.000 3/24696 280.0 0.397 0.469 0.472 -0.000 -0.103 0.000 3/24696 290.0 0.383 0.453 0.456 -0.000 -0.100 0.000 3/24696 300.0 0.371 0.438 0.441 -0.000 -0.097 0.000 3/24696 310.0 0.359 0.424 0.427 -0.000 -0.094 0.000 3/24696 320.0 0.348 0.410 0.414 -0.000 -0.091 0.000 3/24696 330.0 0.337 0.398 0.402 -0.000 -0.088 0.000 3/24696 340.0 0.328 0.386 0.390 -0.000 -0.086 0.000 3/24696 350.0 0.318 0.375 0.379 -0.000 -0.083 0.000 3/24696 360.0 0.310 0.365 0.369 -0.000 -0.081 0.000 3/24696 370.0 0.302 0.355 0.359 -0.000 -0.079 0.000 3/24696 380.0 0.294 0.346 0.350 -0.000 -0.077 0.000 3/24696 390.0 0.286 0.337 0.341 -0.000 -0.075 0.000 3/24696 400.0 0.279 0.329 0.333 -0.000 -0.074 0.000 3/24696 410.0 0.273 0.321 0.325 -0.000 -0.072 0.000 3/24696 420.0 0.266 0.313 0.317 -0.000 -0.070 0.000 3/24696 430.0 0.260 0.306 0.310 -0.000 -0.069 0.000 3/24696 440.0 0.254 0.299 0.303 -0.000 -0.067 0.000 3/24696 450.0 0.249 0.292 0.296 -0.000 -0.066 0.000 3/24696 460.0 0.243 0.286 0.290 -0.000 -0.064 0.000 3/24696 470.0 0.238 0.280 0.284 -0.000 -0.063 0.000 3/24696 480.0 0.233 0.274 0.278 -0.000 -0.062 0.000 3/24696 490.0 0.229 0.269 0.272 -0.000 -0.061 0.000 3/24696 500.0 0.224 0.263 0.267 -0.000 -0.059 0.000 3/24696 510.0 0.220 0.258 0.262 -0.000 -0.058 0.000 3/24696 520.0 0.216 0.253 0.257 -0.000 -0.057 0.000 3/24696 530.0 0.212 0.248 0.252 -0.000 -0.056 0.000 3/24696 540.0 0.208 0.244 0.248 -0.000 -0.055 0.000 3/24696 550.0 0.204 0.240 0.243 -0.000 -0.054 0.000 3/24696 560.0 0.200 0.235 0.239 -0.000 -0.053 0.000 3/24696 570.0 0.197 0.231 0.235 -0.000 -0.052 0.000 3/24696 580.0 0.194 0.227 0.231 -0.000 -0.051 0.000 3/24696 590.0 0.190 0.223 0.227 -0.000 -0.051 0.000 3/24696 600.0 0.187 0.220 0.223 -0.000 -0.050 0.000 3/24696 610.0 0.184 0.216 0.219 -0.000 -0.049 0.000 3/24696 620.0 0.181 0.213 0.216 -0.000 -0.048 0.000 3/24696 630.0 0.178 0.209 0.213 -0.000 -0.047 0.000 3/24696 640.0 0.176 0.206 0.209 -0.000 -0.047 0.000 3/24696 650.0 0.173 0.203 0.206 -0.000 -0.046 0.000 3/24696 660.0 0.170 0.200 0.203 -0.000 -0.045 0.000 3/24696 670.0 0.168 0.197 0.200 -0.000 -0.045 0.000 3/24696 680.0 0.165 0.194 0.197 -0.000 -0.044 0.000 3/24696 690.0 0.163 0.191 0.194 -0.000 -0.043 0.000 3/24696 700.0 0.161 0.188 0.192 -0.000 -0.043 0.000 3/24696 710.0 0.159 0.186 0.189 -0.000 -0.042 0.000 3/24696 720.0 0.156 0.183 0.186 -0.000 -0.042 0.000 3/24696 730.0 0.154 0.181 0.184 -0.000 -0.041 0.000 3/24696 740.0 0.152 0.178 0.181 -0.000 -0.041 0.000 3/24696 750.0 0.150 0.176 0.179 -0.000 -0.040 0.000 3/24696 760.0 0.148 0.174 0.177 -0.000 -0.040 0.000 3/24696 770.0 0.146 0.171 0.174 -0.000 -0.039 0.000 3/24696 780.0 0.144 0.169 0.172 -0.000 -0.039 0.000 3/24696 790.0 0.143 0.167 0.170 -0.000 -0.038 0.000 3/24696 800.0 0.141 0.165 0.168 -0.000 -0.038 0.000 3/24696 810.0 0.139 0.163 0.166 -0.000 -0.037 0.000 3/24696 820.0 0.137 0.161 0.164 -0.000 -0.037 0.000 3/24696 830.0 0.136 0.159 0.162 -0.000 -0.036 0.000 3/24696 840.0 0.134 0.157 0.160 -0.000 -0.036 0.000 3/24696 850.0 0.133 0.155 0.158 -0.000 -0.035 0.000 3/24696 860.0 0.131 0.154 0.156 -0.000 -0.035 0.000 3/24696 870.0 0.130 0.152 0.154 -0.000 -0.035 0.000 3/24696 880.0 0.128 0.150 0.153 -0.000 -0.034 0.000 3/24696 890.0 0.127 0.148 0.151 -0.000 -0.034 0.000 3/24696 900.0 0.125 0.147 0.149 -0.000 -0.033 0.000 3/24696 910.0 0.124 0.145 0.148 -0.000 -0.033 0.000 3/24696 920.0 0.123 0.144 0.146 -0.000 -0.033 0.000 3/24696 930.0 0.121 0.142 0.145 -0.000 -0.032 0.000 3/24696 940.0 0.120 0.141 0.143 -0.000 -0.032 0.000 3/24696 950.0 0.119 0.139 0.142 -0.000 -0.032 0.000 3/24696 960.0 0.118 0.138 0.140 -0.000 -0.031 0.000 3/24696 970.0 0.116 0.136 0.139 -0.000 -0.031 0.000 3/24696 980.0 0.115 0.135 0.137 -0.000 -0.031 0.000 3/24696 990.0 0.114 0.133 0.136 -0.000 -0.030 0.000 3/24696 1000.0 0.113 0.132 0.134 -0.000 -0.030 0.000 3/24696 Thermal conductivity related properties were written into "kappa-m776.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:23:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|