----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 13:38:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.890802660021612 0.000000000000000 0.000000000000000 b 0.000000000000000 13.618024559999997 0.000000000000000 c -0.132009948222722 0.000000000000000 7.816613387578583 Atomic positions (fractional): *1 Rb 0.72142630245205 0.19631501173022 0.78362112363049 85.468 2 Rb 0.72142630245205 0.30368498826978 0.28362112363049 85.468 3 Rb 0.27857369754795 0.69631501173022 0.71637887636951 85.468 4 Rb 0.27857369754795 0.80368498826978 0.21637887636951 85.468 *5 Na 0.77024458782987 0.90832664677553 0.96127737435724 22.990 6 Na 0.77024458782987 0.59167335322447 0.46127737435724 22.990 7 Na 0.22975541217014 0.09167335322447 0.03872262564276 22.990 8 Na 0.22975541217014 0.40832664677553 0.53872262564276 22.990 *9 Si 0.70147534984151 0.45480395546612 0.78859077642749 28.085 *10 Si 0.20621451438342 0.36863301113807 0.97914173045459 28.085 11 Si 0.79378548561658 0.86863301113807 0.52085826954541 28.085 12 Si 0.29852465015849 0.95480395546611 0.71140922357251 28.085 13 Si 0.79378548561658 0.63136698886193 0.02085826954541 28.085 14 Si 0.29852465015849 0.54519604453389 0.21140922357251 28.085 15 Si 0.70147534984151 0.04519604453389 0.28859077642749 28.085 16 Si 0.20621451438342 0.13136698886193 0.47914173045459 28.085 *17 O 0.37814296715315 0.07053839261285 0.33193087731284 15.999 *18 O 0.24188903116061 0.93413902236703 0.90746162020900 15.999 19 O 0.37814296715315 0.42946160738715 0.83193087731284 15.999 *20 O 0.11926748975621 0.88772192274962 0.57388407343600 15.999 21 O 0.75811096883939 0.43413902236703 0.59253837979100 15.999 22 O 0.62185703284685 0.92946160738715 0.66806912268716 15.999 *23 O 0.25254602425247 0.42748869876018 0.16452805368496 15.999 24 O 0.25254602425247 0.07251130123982 0.66452805368496 15.999 *25 O 0.27365983088446 0.25587618454444 0.99783442519270 15.999 26 O 0.88073251024379 0.11227807725038 0.42611592656400 15.999 27 O 0.74745397574753 0.92748869876018 0.33547194631504 15.999 28 O 0.62185703284685 0.57053839261285 0.16806912268716 15.999 29 O 0.74745397574753 0.57251130123982 0.83547194631504 15.999 30 O 0.88073251024379 0.38772192274962 0.92611592656400 15.999 31 O 0.72634016911554 0.74412381545556 0.00216557480730 15.999 32 O 0.24188903116061 0.56586097763297 0.40746162020900 15.999 33 O 0.27365983088446 0.24412381545556 0.49783442519270 15.999 34 O 0.75811096883939 0.06586097763297 0.09253837979100 15.999 35 O 0.11926748975621 0.61227807725038 0.07388407343600 15.999 36 O 0.72634016911554 0.75587618454444 0.50216557480730 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.890802660021612 0.000000000000000 0.000000000000000 b 0.000000000000000 13.618024559999997 0.000000000000000 c -0.132009948222722 0.000000000000000 7.816613387578583 Atomic positions (fractional): *1 Rb 0.72142630245205 0.19631501173022 0.78362112363049 85.468 > 1 2 Rb 0.72142630245205 0.30368498826978 0.28362112363049 85.468 > 2 3 Rb 0.27857369754795 0.69631501173022 0.71637887636951 85.468 > 3 4 Rb 0.27857369754795 0.80368498826978 0.21637887636951 85.468 > 4 *5 Na 0.77024458782987 0.90832664677553 0.96127737435724 22.990 > 5 6 Na 0.77024458782987 0.59167335322447 0.46127737435724 22.990 > 6 7 Na 0.22975541217014 0.09167335322447 0.03872262564276 22.990 > 7 8 Na 0.22975541217014 0.40832664677553 0.53872262564276 22.990 > 8 *9 Si 0.70147534984151 0.45480395546612 0.78859077642749 28.085 > 9 *10 Si 0.20621451438342 0.36863301113807 0.97914173045459 28.085 > 10 11 Si 0.79378548561658 0.86863301113807 0.52085826954541 28.085 > 11 12 Si 0.29852465015849 0.95480395546611 0.71140922357251 28.085 > 12 13 Si 0.79378548561658 0.63136698886193 0.02085826954541 28.085 > 13 14 Si 0.29852465015849 0.54519604453389 0.21140922357251 28.085 > 14 15 Si 0.70147534984151 0.04519604453389 0.28859077642749 28.085 > 15 16 Si 0.20621451438342 0.13136698886193 0.47914173045459 28.085 > 16 *17 O 0.37814296715315 0.07053839261285 0.33193087731284 15.999 > 17 *18 O 0.24188903116061 0.93413902236703 0.90746162020900 15.999 > 18 19 O 0.37814296715315 0.42946160738715 0.83193087731284 15.999 > 19 *20 O 0.11926748975621 0.88772192274962 0.57388407343600 15.999 > 20 21 O 0.75811096883939 0.43413902236703 0.59253837979100 15.999 > 21 22 O 0.62185703284685 0.92946160738715 0.66806912268716 15.999 > 22 *23 O 0.25254602425247 0.42748869876018 0.16452805368496 15.999 > 23 24 O 0.25254602425247 0.07251130123982 0.66452805368496 15.999 > 24 *25 O 0.27365983088446 0.25587618454444 0.99783442519270 15.999 > 25 26 O 0.88073251024379 0.11227807725038 0.42611592656400 15.999 > 26 27 O 0.74745397574753 0.92748869876018 0.33547194631504 15.999 > 27 28 O 0.62185703284685 0.57053839261285 0.16806912268716 15.999 > 28 29 O 0.74745397574753 0.57251130123982 0.83547194631504 15.999 > 29 30 O 0.88073251024379 0.38772192274962 0.92611592656400 15.999 > 30 31 O 0.72634016911554 0.74412381545556 0.00216557480730 15.999 > 31 32 O 0.24188903116061 0.56586097763297 0.40746162020900 15.999 > 32 33 O 0.27365983088446 0.24412381545556 0.49783442519270 15.999 > 33 34 O 0.75811096883939 0.06586097763297 0.09253837979100 15.999 > 34 35 O 0.11926748975621 0.61227807725038 0.07388407343600 15.999 > 35 36 O 0.72634016911554 0.75587618454444 0.50216557480730 15.999 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.781605320043225 0.000000000000000 0.000000000000000 b 0.000000000000000 13.618024559999997 0.000000000000000 c -0.264019896445444 0.000000000000000 15.633226775157166 Atomic positions (fractional): *1 Rb 0.36071315122603 0.19631501173022 0.39181056181524 85.468 > 1 2 Rb 0.86071315122603 0.19631501173022 0.39181056181524 85.468 > 1 3 Rb 0.36071315122603 0.19631501173022 0.89181056181524 85.468 > 1 4 Rb 0.86071315122603 0.19631501173022 0.89181056181524 85.468 > 1 5 Rb 0.36071315122603 0.30368498826978 0.14181056181525 85.468 > 2 6 Rb 0.86071315122603 0.30368498826978 0.14181056181525 85.468 > 2 7 Rb 0.36071315122603 0.30368498826978 0.64181056181524 85.468 > 2 8 Rb 0.86071315122603 0.30368498826978 0.64181056181524 85.468 > 2 9 Rb 0.13928684877397 0.69631501173022 0.35818943818476 85.468 > 3 10 Rb 0.63928684877397 0.69631501173022 0.35818943818476 85.468 > 3 11 Rb 0.13928684877397 0.69631501173022 0.85818943818476 85.468 > 3 12 Rb 0.63928684877397 0.69631501173022 0.85818943818476 85.468 > 3 13 Rb 0.13928684877397 0.80368498826978 0.10818943818476 85.468 > 4 14 Rb 0.63928684877397 0.80368498826978 0.10818943818476 85.468 > 4 15 Rb 0.13928684877397 0.80368498826978 0.60818943818476 85.468 > 4 16 Rb 0.63928684877397 0.80368498826978 0.60818943818476 85.468 > 4 *17 Na 0.38512229391493 0.90832664677553 0.48063868717862 22.990 > 5 18 Na 0.88512229391493 0.90832664677553 0.48063868717862 22.990 > 5 19 Na 0.38512229391493 0.90832664677553 0.98063868717862 22.990 > 5 20 Na 0.88512229391493 0.90832664677553 0.98063868717862 22.990 > 5 21 Na 0.38512229391493 0.59167335322447 0.23063868717862 22.990 > 6 22 Na 0.88512229391493 0.59167335322447 0.23063868717862 22.990 > 6 23 Na 0.38512229391493 0.59167335322447 0.73063868717862 22.990 > 6 24 Na 0.88512229391493 0.59167335322447 0.73063868717862 22.990 > 6 25 Na 0.11487770608507 0.09167335322447 0.01936131282138 22.990 > 7 26 Na 0.61487770608507 0.09167335322447 0.01936131282138 22.990 > 7 27 Na 0.11487770608507 0.09167335322447 0.51936131282138 22.990 > 7 28 Na 0.61487770608507 0.09167335322447 0.51936131282138 22.990 > 7 29 Na 0.11487770608507 0.40832664677553 0.26936131282138 22.990 > 8 30 Na 0.61487770608507 0.40832664677553 0.26936131282138 22.990 > 8 31 Na 0.11487770608507 0.40832664677553 0.76936131282138 22.990 > 8 32 Na 0.61487770608507 0.40832664677553 0.76936131282138 22.990 > 8 *33 Si 0.35073767492076 0.45480395546612 0.39429538821375 28.085 > 9 34 Si 0.85073767492076 0.45480395546612 0.39429538821375 28.085 > 9 35 Si 0.35073767492076 0.45480395546612 0.89429538821375 28.085 > 9 36 Si 0.85073767492076 0.45480395546612 0.89429538821375 28.085 > 9 *37 Si 0.10310725719171 0.36863301113807 0.48957086522729 28.085 > 10 38 Si 0.60310725719171 0.36863301113807 0.48957086522729 28.085 > 10 39 Si 0.10310725719171 0.36863301113807 0.98957086522729 28.085 > 10 40 Si 0.60310725719171 0.36863301113807 0.98957086522729 28.085 > 10 41 Si 0.39689274280829 0.86863301113807 0.26042913477271 28.085 > 11 42 Si 0.89689274280829 0.86863301113807 0.26042913477271 28.085 > 11 43 Si 0.39689274280829 0.86863301113807 0.76042913477271 28.085 > 11 44 Si 0.89689274280829 0.86863301113807 0.76042913477271 28.085 > 11 45 Si 0.14926232507925 0.95480395546611 0.35570461178625 28.085 > 12 46 Si 0.64926232507924 0.95480395546611 0.35570461178625 28.085 > 12 47 Si 0.14926232507925 0.95480395546611 0.85570461178625 28.085 > 12 48 Si 0.64926232507924 0.95480395546611 0.85570461178625 28.085 > 12 49 Si 0.39689274280829 0.63136698886193 0.01042913477271 28.085 > 13 50 Si 0.89689274280829 0.63136698886193 0.01042913477271 28.085 > 13 51 Si 0.39689274280829 0.63136698886193 0.51042913477271 28.085 > 13 52 Si 0.89689274280829 0.63136698886193 0.51042913477271 28.085 > 13 53 Si 0.14926232507925 0.54519604453389 0.10570461178625 28.085 > 14 54 Si 0.64926232507924 0.54519604453389 0.10570461178625 28.085 > 14 55 Si 0.14926232507925 0.54519604453389 0.60570461178625 28.085 > 14 56 Si 0.64926232507924 0.54519604453389 0.60570461178625 28.085 > 14 57 Si 0.35073767492076 0.04519604453389 0.14429538821375 28.085 > 15 58 Si 0.85073767492076 0.04519604453389 0.14429538821375 28.085 > 15 59 Si 0.35073767492076 0.04519604453389 0.64429538821375 28.085 > 15 60 Si 0.85073767492076 0.04519604453389 0.64429538821375 28.085 > 15 61 Si 0.10310725719171 0.13136698886193 0.23957086522729 28.085 > 16 62 Si 0.60310725719171 0.13136698886193 0.23957086522729 28.085 > 16 63 Si 0.10310725719171 0.13136698886193 0.73957086522729 28.085 > 16 64 Si 0.60310725719171 0.13136698886193 0.73957086522729 28.085 > 16 *65 O 0.18907148357658 0.07053839261285 0.16596543865642 15.999 > 17 66 O 0.68907148357658 0.07053839261285 0.16596543865642 15.999 > 17 67 O 0.18907148357658 0.07053839261285 0.66596543865642 15.999 > 17 68 O 0.68907148357658 0.07053839261285 0.66596543865642 15.999 > 17 *69 O 0.12094451558030 0.93413902236703 0.45373081010450 15.999 > 18 70 O 0.62094451558030 0.93413902236703 0.45373081010450 15.999 > 18 71 O 0.12094451558030 0.93413902236703 0.95373081010450 15.999 > 18 72 O 0.62094451558030 0.93413902236703 0.95373081010450 15.999 > 18 73 O 0.18907148357658 0.42946160738715 0.41596543865642 15.999 > 19 74 O 0.68907148357658 0.42946160738715 0.41596543865642 15.999 > 19 75 O 0.18907148357658 0.42946160738715 0.91596543865642 15.999 > 19 76 O 0.68907148357658 0.42946160738715 0.91596543865642 15.999 > 19 *77 O 0.05963374487810 0.88772192274962 0.28694203671800 15.999 > 20 78 O 0.55963374487810 0.88772192274962 0.28694203671800 15.999 > 20 79 O 0.05963374487810 0.88772192274962 0.78694203671800 15.999 > 20 80 O 0.55963374487810 0.88772192274962 0.78694203671800 15.999 > 20 81 O 0.37905548441970 0.43413902236703 0.29626918989550 15.999 > 21 82 O 0.87905548441970 0.43413902236703 0.29626918989550 15.999 > 21 83 O 0.37905548441970 0.43413902236703 0.79626918989550 15.999 > 21 84 O 0.87905548441970 0.43413902236703 0.79626918989550 15.999 > 21 85 O 0.31092851642342 0.92946160738715 0.33403456134358 15.999 > 22 86 O 0.81092851642342 0.92946160738715 0.33403456134358 15.999 > 22 87 O 0.31092851642342 0.92946160738715 0.83403456134358 15.999 > 22 88 O 0.81092851642342 0.92946160738715 0.83403456134358 15.999 > 22 *89 O 0.12627301212623 0.42748869876018 0.08226402684248 15.999 > 23 90 O 0.62627301212623 0.42748869876018 0.08226402684248 15.999 > 23 91 O 0.12627301212623 0.42748869876018 0.58226402684248 15.999 > 23 92 O 0.62627301212623 0.42748869876018 0.58226402684248 15.999 > 23 93 O 0.12627301212623 0.07251130123982 0.33226402684248 15.999 > 24 94 O 0.62627301212623 0.07251130123982 0.33226402684248 15.999 > 24 95 O 0.12627301212623 0.07251130123982 0.83226402684248 15.999 > 24 96 O 0.62627301212623 0.07251130123982 0.83226402684248 15.999 > 24 *97 O 0.13682991544223 0.25587618454444 0.49891721259635 15.999 > 25 98 O 0.63682991544223 0.25587618454444 0.49891721259635 15.999 > 25 99 O 0.13682991544223 0.25587618454444 0.99891721259635 15.999 > 25 100 O 0.63682991544223 0.25587618454444 0.99891721259635 15.999 > 25 101 O 0.44036625512190 0.11227807725038 0.21305796328200 15.999 > 26 102 O 0.94036625512190 0.11227807725038 0.21305796328200 15.999 > 26 103 O 0.44036625512190 0.11227807725038 0.71305796328200 15.999 > 26 104 O 0.94036625512190 0.11227807725038 0.71305796328200 15.999 > 26 105 O 0.37372698787377 0.92748869876018 0.16773597315752 15.999 > 27 106 O 0.87372698787377 0.92748869876018 0.16773597315752 15.999 > 27 107 O 0.37372698787377 0.92748869876018 0.66773597315752 15.999 > 27 108 O 0.87372698787377 0.92748869876018 0.66773597315752 15.999 > 27 109 O 0.31092851642342 0.57053839261285 0.08403456134358 15.999 > 28 110 O 0.81092851642342 0.57053839261285 0.08403456134358 15.999 > 28 111 O 0.31092851642342 0.57053839261285 0.58403456134358 15.999 > 28 112 O 0.81092851642342 0.57053839261285 0.58403456134358 15.999 > 28 113 O 0.37372698787377 0.57251130123982 0.41773597315752 15.999 > 29 114 O 0.87372698787377 0.57251130123982 0.41773597315752 15.999 > 29 115 O 0.37372698787377 0.57251130123982 0.91773597315752 15.999 > 29 116 O 0.87372698787377 0.57251130123982 0.91773597315752 15.999 > 29 117 O 0.44036625512190 0.38772192274962 0.46305796328200 15.999 > 30 118 O 0.94036625512190 0.38772192274962 0.46305796328200 15.999 > 30 119 O 0.44036625512190 0.38772192274962 0.96305796328200 15.999 > 30 120 O 0.94036625512190 0.38772192274962 0.96305796328200 15.999 > 30 121 O 0.36317008455777 0.74412381545556 0.00108278740365 15.999 > 31 122 O 0.86317008455777 0.74412381545556 0.00108278740365 15.999 > 31 123 O 0.36317008455777 0.74412381545556 0.50108278740365 15.999 > 31 124 O 0.86317008455777 0.74412381545556 0.50108278740365 15.999 > 31 125 O 0.12094451558030 0.56586097763297 0.20373081010450 15.999 > 32 126 O 0.62094451558030 0.56586097763297 0.20373081010450 15.999 > 32 127 O 0.12094451558030 0.56586097763297 0.70373081010450 15.999 > 32 128 O 0.62094451558030 0.56586097763297 0.70373081010450 15.999 > 32 129 O 0.13682991544223 0.24412381545556 0.24891721259635 15.999 > 33 130 O 0.63682991544223 0.24412381545556 0.24891721259635 15.999 > 33 131 O 0.13682991544223 0.24412381545556 0.74891721259635 15.999 > 33 132 O 0.63682991544223 0.24412381545556 0.74891721259635 15.999 > 33 133 O 0.37905548441970 0.06586097763297 0.04626918989550 15.999 > 34 134 O 0.87905548441970 0.06586097763297 0.04626918989550 15.999 > 34 135 O 0.37905548441970 0.06586097763297 0.54626918989550 15.999 > 34 136 O 0.87905548441970 0.06586097763297 0.54626918989550 15.999 > 34 137 O 0.05963374487810 0.61227807725038 0.03694203671800 15.999 > 35 138 O 0.55963374487810 0.61227807725038 0.03694203671800 15.999 > 35 139 O 0.05963374487810 0.61227807725038 0.53694203671800 15.999 > 35 140 O 0.55963374487810 0.61227807725038 0.53694203671800 15.999 > 35 141 O 0.36317008455777 0.75587618454444 0.25108278740365 15.999 > 36 142 O 0.86317008455777 0.75587618454444 0.25108278740365 15.999 > 36 143 O 0.36317008455777 0.75587618454444 0.75108278740365 15.999 > 36 144 O 0.86317008455777 0.75587618454444 0.75108278740365 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5745652 0.0000000 0.0038868 0.0000000 2.5451511 0.0000000 0.0038873 0.0000000 2.5496144 -------------------------- Born effective charges -------------------------- 1 Rb 1.2532358 0.0110814 0.0020033 0.0054178 1.2349918 0.1466646 0.0076557 0.0897047 1.2788545 2 Rb 1.2532358 -0.0110814 0.0020033 -0.0054178 1.2349918 -0.1466646 0.0076557 -0.0897047 1.2788545 3 Rb 1.2532358 -0.0110814 0.0020033 -0.0054178 1.2349918 -0.1466646 0.0076557 -0.0897047 1.2788545 4 Rb 1.2532358 0.0110814 0.0020033 0.0054178 1.2349918 0.1466646 0.0076557 0.0897047 1.2788545 5 Na 1.0599245 -0.0058113 0.0165340 0.0115216 1.0774988 0.0088943 0.0043830 0.0410633 1.1389086 6 Na 1.0599245 0.0058113 0.0165340 -0.0115216 1.0774988 -0.0088943 0.0043830 -0.0410633 1.1389086 7 Na 1.0599245 -0.0058113 0.0165340 0.0115216 1.0774988 0.0088943 0.0043830 0.0410633 1.1389086 8 Na 1.0599245 0.0058113 0.0165340 -0.0115216 1.0774988 -0.0088943 0.0043830 -0.0410633 1.1389086 9 Si 3.0771038 -0.0903845 0.1618873 0.1382556 2.8564700 0.0870795 -0.1679869 0.1685385 2.9512054 10 Si 3.1801637 0.0996074 -0.1101607 -0.1036402 2.9700625 0.1513212 0.1963065 -0.0483109 2.6786206 11 Si 3.1801637 -0.0996074 -0.1101607 0.1036402 2.9700625 -0.1513212 0.1963065 0.0483109 2.6786206 12 Si 3.0771038 0.0903845 0.1618873 -0.1382556 2.8564700 -0.0870795 -0.1679869 -0.1685385 2.9512054 13 Si 3.1801637 0.0996074 -0.1101607 -0.1036402 2.9700625 0.1513212 0.1963065 -0.0483109 2.6786206 14 Si 3.0771038 -0.0903845 0.1618873 0.1382556 2.8564700 0.0870795 -0.1679869 0.1685385 2.9512054 15 Si 3.0771038 0.0903845 0.1618873 -0.1382556 2.8564700 -0.0870795 -0.1679869 -0.1685385 2.9512054 16 Si 3.1801637 -0.0996074 -0.1101607 0.1036402 2.9700625 -0.1513212 0.1963065 0.0483109 2.6786206 17 O -2.2911617 0.4877918 0.6354906 0.4174007 -1.2890454 -0.2364690 0.5201410 -0.2943475 -1.5333377 18 O -1.3415529 -0.0253921 0.0557635 -0.0108299 -1.3248451 0.1448012 0.1074791 0.1025385 -1.9696331 19 O -2.2911617 -0.4877918 0.6354906 -0.4174007 -1.2890454 0.2364690 0.5201410 0.2943475 -1.5333377 20 O -2.3222161 -0.4954027 -0.6507379 -0.3530101 -1.4291219 -0.2873991 -0.5441860 -0.2854260 -1.4612218 21 O -1.3415529 0.0253921 0.0557635 0.0108299 -1.3248451 -0.1448012 0.1074791 -0.1025385 -1.9696331 22 O -2.2911617 0.4877918 0.6354906 0.4174007 -1.2890454 -0.2364690 0.5201410 -0.2943475 -1.5333377 23 O -1.1592711 -0.1296295 -0.1288910 -0.1014487 -2.1942649 -0.6344378 -0.1026416 -0.6109629 -1.7772050 24 O -1.1592711 0.1296295 -0.1288910 0.1014487 -2.1942649 0.6344378 -0.1026416 0.6109629 -1.7772050 25 O -1.4562260 0.0777883 0.0181109 0.1299590 -1.9017459 0.0101223 -0.0211508 0.0383561 -1.3061915 26 O -2.3222161 -0.4954027 -0.6507379 -0.3530101 -1.4291219 -0.2873991 -0.5441860 -0.2854260 -1.4612218 27 O -1.1592711 0.1296295 -0.1288910 0.1014487 -2.1942649 0.6344378 -0.1026416 0.6109629 -1.7772050 28 O -2.2911617 -0.4877918 0.6354906 -0.4174007 -1.2890454 0.2364690 0.5201410 0.2943475 -1.5333377 29 O -1.1592711 -0.1296295 -0.1288910 -0.1014487 -2.1942649 -0.6344378 -0.1026416 -0.6109629 -1.7772050 30 O -2.3222161 0.4954027 -0.6507379 0.3530101 -1.4291219 0.2873991 -0.5441860 0.2854260 -1.4612218 31 O -1.4562260 0.0777883 0.0181109 0.1299590 -1.9017459 0.0101223 -0.0211508 0.0383561 -1.3061915 32 O -1.3415529 0.0253921 0.0557635 0.0108299 -1.3248451 -0.1448012 0.1074791 -0.1025385 -1.9696331 33 O -1.4562260 -0.0777883 0.0181109 -0.1299590 -1.9017459 -0.0101223 -0.0211508 -0.0383561 -1.3061915 34 O -1.3415529 -0.0253921 0.0557635 -0.0108299 -1.3248451 0.1448012 0.1074791 0.1025385 -1.9696331 35 O -2.3222161 0.4954027 -0.6507379 0.3530101 -1.4291219 0.2873991 -0.5441860 0.2854260 -1.4612218 36 O -1.4562260 -0.0777883 0.0181109 -0.1299590 -1.9017459 -0.0101223 -0.0211508 -0.0383561 -1.3061915 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 281 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 281 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 31), data: (1296, 49) @ (49, 31) |-- (296, 281), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 31), data: (1296, 49) @ (49, 31) |-- (296, 281), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 1.884 Solver_block: 200 / 1120 - Time: 1.669 Solver_block: 300 / 1120 - Time: 1.668 Solver_block: 400 / 1120 - Time: 1.678 Solver_block: 500 / 1120 - Time: 1.670 Solver_block: 600 / 1120 - Time: 1.671 Solver_block: 700 / 1120 - Time: 1.666 Solver_block: 800 / 1120 - Time: 1.675 Solver_block: 900 / 1120 - Time: 1.669 Solver_block: 1000 / 1120 - Time: 1.675 Solver_block: 1100 / 1120 - Time: 1.673 Solver_block: 1120 / 1120 - Time: 0.522 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 19.631 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 281 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 281 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 31), data: (1296, 49) @ (49, 31) |-- (296, 281), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 31), data: (1296, 49) @ (49, 31) |-- (296, 281), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) 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 13:39:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:39:40]------------------------- 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): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.890802660021612 0.000000000000000 0.000000000000000 b 0.000000000000000 13.618024559999997 0.000000000000000 c -0.132009948222722 0.000000000000000 7.816613387578583 Atomic positions (fractional): 1 Rb 0.72142630245205 0.19631501173022 0.78362112363049 85.468 2 Rb 0.72142630245205 0.30368498826978 0.28362112363049 85.468 3 Rb 0.27857369754795 0.69631501173022 0.71637887636951 85.468 4 Rb 0.27857369754795 0.80368498826978 0.21637887636951 85.468 5 Na 0.77024458782987 0.90832664677553 0.96127737435724 22.990 6 Na 0.77024458782987 0.59167335322447 0.46127737435724 22.990 7 Na 0.22975541217014 0.09167335322447 0.03872262564276 22.990 8 Na 0.22975541217014 0.40832664677553 0.53872262564276 22.990 9 Si 0.70147534984151 0.45480395546612 0.78859077642749 28.085 10 Si 0.20621451438342 0.36863301113807 0.97914173045459 28.085 11 Si 0.79378548561658 0.86863301113807 0.52085826954541 28.085 12 Si 0.29852465015849 0.95480395546611 0.71140922357251 28.085 13 Si 0.79378548561658 0.63136698886193 0.02085826954541 28.085 14 Si 0.29852465015849 0.54519604453389 0.21140922357251 28.085 15 Si 0.70147534984151 0.04519604453389 0.28859077642749 28.085 16 Si 0.20621451438342 0.13136698886193 0.47914173045459 28.085 17 O 0.37814296715315 0.07053839261285 0.33193087731284 15.999 18 O 0.24188903116061 0.93413902236703 0.90746162020900 15.999 19 O 0.37814296715315 0.42946160738715 0.83193087731284 15.999 20 O 0.11926748975621 0.88772192274962 0.57388407343600 15.999 21 O 0.75811096883939 0.43413902236703 0.59253837979100 15.999 22 O 0.62185703284685 0.92946160738715 0.66806912268716 15.999 23 O 0.25254602425247 0.42748869876018 0.16452805368496 15.999 24 O 0.25254602425247 0.07251130123982 0.66452805368496 15.999 25 O 0.27365983088446 0.25587618454444 0.99783442519270 15.999 26 O 0.88073251024379 0.11227807725038 0.42611592656400 15.999 27 O 0.74745397574753 0.92748869876018 0.33547194631504 15.999 28 O 0.62185703284685 0.57053839261285 0.16806912268716 15.999 29 O 0.74745397574753 0.57251130123982 0.83547194631504 15.999 30 O 0.88073251024379 0.38772192274962 0.92611592656400 15.999 31 O 0.72634016911554 0.74412381545556 0.00216557480730 15.999 32 O 0.24188903116061 0.56586097763297 0.40746162020900 15.999 33 O 0.27365983088446 0.24412381545556 0.49783442519270 15.999 34 O 0.75811096883939 0.06586097763297 0.09253837979100 15.999 35 O 0.11926748975621 0.61227807725038 0.07388407343600 15.999 36 O 0.72634016911554 0.75587618454444 0.50216557480730 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.781605320043225 0.000000000000000 0.000000000000000 b 0.000000000000000 13.618024559999997 0.000000000000000 c -0.264019896445444 0.000000000000000 15.633226775157166 Atomic positions (fractional): 1 Rb 0.36071315122603 0.19631501173022 0.39181056181524 85.468 > 1 2 Rb 0.86071315122603 0.19631501173022 0.39181056181524 85.468 > 1 3 Rb 0.36071315122603 0.19631501173022 0.89181056181524 85.468 > 1 4 Rb 0.86071315122603 0.19631501173022 0.89181056181524 85.468 > 1 5 Rb 0.36071315122603 0.30368498826978 0.14181056181525 85.468 > 5 6 Rb 0.86071315122603 0.30368498826978 0.14181056181525 85.468 > 5 7 Rb 0.36071315122603 0.30368498826978 0.64181056181524 85.468 > 5 8 Rb 0.86071315122603 0.30368498826978 0.64181056181524 85.468 > 5 9 Rb 0.13928684877397 0.69631501173022 0.35818943818476 85.468 > 9 10 Rb 0.63928684877397 0.69631501173022 0.35818943818476 85.468 > 9 11 Rb 0.13928684877397 0.69631501173022 0.85818943818476 85.468 > 9 12 Rb 0.63928684877397 0.69631501173022 0.85818943818476 85.468 > 9 13 Rb 0.13928684877397 0.80368498826978 0.10818943818476 85.468 > 13 14 Rb 0.63928684877397 0.80368498826978 0.10818943818476 85.468 > 13 15 Rb 0.13928684877397 0.80368498826978 0.60818943818476 85.468 > 13 16 Rb 0.63928684877397 0.80368498826978 0.60818943818476 85.468 > 13 17 Na 0.38512229391493 0.90832664677553 0.48063868717862 22.990 > 17 18 Na 0.88512229391493 0.90832664677553 0.48063868717862 22.990 > 17 19 Na 0.38512229391493 0.90832664677553 0.98063868717862 22.990 > 17 20 Na 0.88512229391493 0.90832664677553 0.98063868717862 22.990 > 17 21 Na 0.38512229391493 0.59167335322447 0.23063868717862 22.990 > 21 22 Na 0.88512229391493 0.59167335322447 0.23063868717862 22.990 > 21 23 Na 0.38512229391493 0.59167335322447 0.73063868717862 22.990 > 21 24 Na 0.88512229391493 0.59167335322447 0.73063868717862 22.990 > 21 25 Na 0.11487770608507 0.09167335322447 0.01936131282138 22.990 > 25 26 Na 0.61487770608507 0.09167335322447 0.01936131282138 22.990 > 25 27 Na 0.11487770608507 0.09167335322447 0.51936131282138 22.990 > 25 28 Na 0.61487770608507 0.09167335322447 0.51936131282138 22.990 > 25 29 Na 0.11487770608507 0.40832664677553 0.26936131282138 22.990 > 29 30 Na 0.61487770608507 0.40832664677553 0.26936131282138 22.990 > 29 31 Na 0.11487770608507 0.40832664677553 0.76936131282138 22.990 > 29 32 Na 0.61487770608507 0.40832664677553 0.76936131282138 22.990 > 29 33 Si 0.35073767492076 0.45480395546612 0.39429538821375 28.085 > 33 34 Si 0.85073767492076 0.45480395546612 0.39429538821375 28.085 > 33 35 Si 0.35073767492076 0.45480395546612 0.89429538821375 28.085 > 33 36 Si 0.85073767492076 0.45480395546612 0.89429538821375 28.085 > 33 37 Si 0.10310725719171 0.36863301113807 0.48957086522729 28.085 > 37 38 Si 0.60310725719171 0.36863301113807 0.48957086522729 28.085 > 37 39 Si 0.10310725719171 0.36863301113807 0.98957086522729 28.085 > 37 40 Si 0.60310725719171 0.36863301113807 0.98957086522729 28.085 > 37 41 Si 0.39689274280829 0.86863301113807 0.26042913477271 28.085 > 41 42 Si 0.89689274280829 0.86863301113807 0.26042913477271 28.085 > 41 43 Si 0.39689274280829 0.86863301113807 0.76042913477271 28.085 > 41 44 Si 0.89689274280829 0.86863301113807 0.76042913477271 28.085 > 41 45 Si 0.14926232507925 0.95480395546611 0.35570461178625 28.085 > 45 46 Si 0.64926232507924 0.95480395546611 0.35570461178625 28.085 > 45 47 Si 0.14926232507925 0.95480395546611 0.85570461178625 28.085 > 45 48 Si 0.64926232507924 0.95480395546611 0.85570461178625 28.085 > 45 49 Si 0.39689274280829 0.63136698886193 0.01042913477271 28.085 > 49 50 Si 0.89689274280829 0.63136698886193 0.01042913477271 28.085 > 49 51 Si 0.39689274280829 0.63136698886193 0.51042913477271 28.085 > 49 52 Si 0.89689274280829 0.63136698886193 0.51042913477271 28.085 > 49 53 Si 0.14926232507925 0.54519604453389 0.10570461178625 28.085 > 53 54 Si 0.64926232507924 0.54519604453389 0.10570461178625 28.085 > 53 55 Si 0.14926232507925 0.54519604453389 0.60570461178625 28.085 > 53 56 Si 0.64926232507924 0.54519604453389 0.60570461178625 28.085 > 53 57 Si 0.35073767492076 0.04519604453389 0.14429538821375 28.085 > 57 58 Si 0.85073767492076 0.04519604453389 0.14429538821375 28.085 > 57 59 Si 0.35073767492076 0.04519604453389 0.64429538821375 28.085 > 57 60 Si 0.85073767492076 0.04519604453389 0.64429538821375 28.085 > 57 61 Si 0.10310725719171 0.13136698886193 0.23957086522729 28.085 > 61 62 Si 0.60310725719171 0.13136698886193 0.23957086522729 28.085 > 61 63 Si 0.10310725719171 0.13136698886193 0.73957086522729 28.085 > 61 64 Si 0.60310725719171 0.13136698886193 0.73957086522729 28.085 > 61 65 O 0.18907148357658 0.07053839261285 0.16596543865642 15.999 > 65 66 O 0.68907148357658 0.07053839261285 0.16596543865642 15.999 > 65 67 O 0.18907148357658 0.07053839261285 0.66596543865642 15.999 > 65 68 O 0.68907148357658 0.07053839261285 0.66596543865642 15.999 > 65 69 O 0.12094451558030 0.93413902236703 0.45373081010450 15.999 > 69 70 O 0.62094451558030 0.93413902236703 0.45373081010450 15.999 > 69 71 O 0.12094451558030 0.93413902236703 0.95373081010450 15.999 > 69 72 O 0.62094451558030 0.93413902236703 0.95373081010450 15.999 > 69 73 O 0.18907148357658 0.42946160738715 0.41596543865642 15.999 > 73 74 O 0.68907148357658 0.42946160738715 0.41596543865642 15.999 > 73 75 O 0.18907148357658 0.42946160738715 0.91596543865642 15.999 > 73 76 O 0.68907148357658 0.42946160738715 0.91596543865642 15.999 > 73 77 O 0.05963374487810 0.88772192274962 0.28694203671800 15.999 > 77 78 O 0.55963374487810 0.88772192274962 0.28694203671800 15.999 > 77 79 O 0.05963374487810 0.88772192274962 0.78694203671800 15.999 > 77 80 O 0.55963374487810 0.88772192274962 0.78694203671800 15.999 > 77 81 O 0.37905548441970 0.43413902236703 0.29626918989550 15.999 > 81 82 O 0.87905548441970 0.43413902236703 0.29626918989550 15.999 > 81 83 O 0.37905548441970 0.43413902236703 0.79626918989550 15.999 > 81 84 O 0.87905548441970 0.43413902236703 0.79626918989550 15.999 > 81 85 O 0.31092851642342 0.92946160738715 0.33403456134358 15.999 > 85 86 O 0.81092851642342 0.92946160738715 0.33403456134358 15.999 > 85 87 O 0.31092851642342 0.92946160738715 0.83403456134358 15.999 > 85 88 O 0.81092851642342 0.92946160738715 0.83403456134358 15.999 > 85 89 O 0.12627301212623 0.42748869876018 0.08226402684248 15.999 > 89 90 O 0.62627301212623 0.42748869876018 0.08226402684248 15.999 > 89 91 O 0.12627301212623 0.42748869876018 0.58226402684248 15.999 > 89 92 O 0.62627301212623 0.42748869876018 0.58226402684248 15.999 > 89 93 O 0.12627301212623 0.07251130123982 0.33226402684248 15.999 > 93 94 O 0.62627301212623 0.07251130123982 0.33226402684248 15.999 > 93 95 O 0.12627301212623 0.07251130123982 0.83226402684248 15.999 > 93 96 O 0.62627301212623 0.07251130123982 0.83226402684248 15.999 > 93 97 O 0.13682991544223 0.25587618454444 0.49891721259635 15.999 > 97 98 O 0.63682991544223 0.25587618454444 0.49891721259635 15.999 > 97 99 O 0.13682991544223 0.25587618454444 0.99891721259635 15.999 > 97 100 O 0.63682991544223 0.25587618454444 0.99891721259635 15.999 > 97 101 O 0.44036625512190 0.11227807725038 0.21305796328200 15.999 > 101 102 O 0.94036625512190 0.11227807725038 0.21305796328200 15.999 > 101 103 O 0.44036625512190 0.11227807725038 0.71305796328200 15.999 > 101 104 O 0.94036625512190 0.11227807725038 0.71305796328200 15.999 > 101 105 O 0.37372698787377 0.92748869876018 0.16773597315752 15.999 > 105 106 O 0.87372698787377 0.92748869876018 0.16773597315752 15.999 > 105 107 O 0.37372698787377 0.92748869876018 0.66773597315752 15.999 > 105 108 O 0.87372698787377 0.92748869876018 0.66773597315752 15.999 > 105 109 O 0.31092851642342 0.57053839261285 0.08403456134358 15.999 > 109 110 O 0.81092851642342 0.57053839261285 0.08403456134358 15.999 > 109 111 O 0.31092851642342 0.57053839261285 0.58403456134358 15.999 > 109 112 O 0.81092851642342 0.57053839261285 0.58403456134358 15.999 > 109 113 O 0.37372698787377 0.57251130123982 0.41773597315752 15.999 > 113 114 O 0.87372698787377 0.57251130123982 0.41773597315752 15.999 > 113 115 O 0.37372698787377 0.57251130123982 0.91773597315752 15.999 > 113 116 O 0.87372698787377 0.57251130123982 0.91773597315752 15.999 > 113 117 O 0.44036625512190 0.38772192274962 0.46305796328200 15.999 > 117 118 O 0.94036625512190 0.38772192274962 0.46305796328200 15.999 > 117 119 O 0.44036625512190 0.38772192274962 0.96305796328200 15.999 > 117 120 O 0.94036625512190 0.38772192274962 0.96305796328200 15.999 > 117 121 O 0.36317008455777 0.74412381545556 0.00108278740365 15.999 > 121 122 O 0.86317008455777 0.74412381545556 0.00108278740365 15.999 > 121 123 O 0.36317008455777 0.74412381545556 0.50108278740365 15.999 > 121 124 O 0.86317008455777 0.74412381545556 0.50108278740365 15.999 > 121 125 O 0.12094451558030 0.56586097763297 0.20373081010450 15.999 > 125 126 O 0.62094451558030 0.56586097763297 0.20373081010450 15.999 > 125 127 O 0.12094451558030 0.56586097763297 0.70373081010450 15.999 > 125 128 O 0.62094451558030 0.56586097763297 0.70373081010450 15.999 > 125 129 O 0.13682991544223 0.24412381545556 0.24891721259635 15.999 > 129 130 O 0.63682991544223 0.24412381545556 0.24891721259635 15.999 > 129 131 O 0.13682991544223 0.24412381545556 0.74891721259635 15.999 > 129 132 O 0.63682991544223 0.24412381545556 0.74891721259635 15.999 > 129 133 O 0.37905548441970 0.06586097763297 0.04626918989550 15.999 > 133 134 O 0.87905548441970 0.06586097763297 0.04626918989550 15.999 > 133 135 O 0.37905548441970 0.06586097763297 0.54626918989550 15.999 > 133 136 O 0.87905548441970 0.06586097763297 0.54626918989550 15.999 > 133 137 O 0.05963374487810 0.61227807725038 0.03694203671800 15.999 > 137 138 O 0.55963374487810 0.61227807725038 0.03694203671800 15.999 > 137 139 O 0.05963374487810 0.61227807725038 0.53694203671800 15.999 > 137 140 O 0.55963374487810 0.61227807725038 0.53694203671800 15.999 > 137 141 O 0.36317008455777 0.75587618454444 0.25108278740365 15.999 > 141 142 O 0.86317008455777 0.75587618454444 0.25108278740365 15.999 > 141 143 O 0.36317008455777 0.75587618454444 0.75108278740365 15.999 > 141 144 O 0.86317008455777 0.75587618454444 0.75108278740365 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5745652 0.0000000 0.0038868 0.0000000 2.5451511 0.0000000 0.0038873 0.0000000 2.5496144 -------------------------- Born effective charges -------------------------- 1 Rb 1.2532358 0.0110814 0.0020033 0.0054178 1.2349918 0.1466646 0.0076557 0.0897047 1.2788545 2 Rb 1.2532358 -0.0110814 0.0020033 -0.0054178 1.2349918 -0.1466646 0.0076557 -0.0897047 1.2788545 3 Rb 1.2532358 -0.0110814 0.0020033 -0.0054178 1.2349918 -0.1466646 0.0076557 -0.0897047 1.2788545 4 Rb 1.2532358 0.0110814 0.0020033 0.0054178 1.2349918 0.1466646 0.0076557 0.0897047 1.2788545 5 Na 1.0599245 -0.0058113 0.0165340 0.0115216 1.0774988 0.0088943 0.0043830 0.0410633 1.1389086 6 Na 1.0599245 0.0058113 0.0165340 -0.0115216 1.0774988 -0.0088943 0.0043830 -0.0410633 1.1389086 7 Na 1.0599245 -0.0058113 0.0165340 0.0115216 1.0774988 0.0088943 0.0043830 0.0410633 1.1389086 8 Na 1.0599245 0.0058113 0.0165340 -0.0115216 1.0774988 -0.0088943 0.0043830 -0.0410633 1.1389086 9 Si 3.0771038 -0.0903845 0.1618873 0.1382556 2.8564700 0.0870795 -0.1679869 0.1685385 2.9512054 10 Si 3.1801637 0.0996074 -0.1101607 -0.1036402 2.9700625 0.1513212 0.1963065 -0.0483109 2.6786206 11 Si 3.1801637 -0.0996074 -0.1101607 0.1036402 2.9700625 -0.1513212 0.1963065 0.0483109 2.6786206 12 Si 3.0771038 0.0903845 0.1618873 -0.1382556 2.8564700 -0.0870795 -0.1679869 -0.1685385 2.9512054 13 Si 3.1801637 0.0996074 -0.1101607 -0.1036402 2.9700625 0.1513212 0.1963065 -0.0483109 2.6786206 14 Si 3.0771038 -0.0903845 0.1618873 0.1382556 2.8564700 0.0870795 -0.1679869 0.1685385 2.9512054 15 Si 3.0771038 0.0903845 0.1618873 -0.1382556 2.8564700 -0.0870795 -0.1679869 -0.1685385 2.9512054 16 Si 3.1801637 -0.0996074 -0.1101607 0.1036402 2.9700625 -0.1513212 0.1963065 0.0483109 2.6786206 17 O -2.2911617 0.4877918 0.6354906 0.4174007 -1.2890454 -0.2364690 0.5201410 -0.2943475 -1.5333377 18 O -1.3415529 -0.0253921 0.0557635 -0.0108299 -1.3248451 0.1448012 0.1074791 0.1025385 -1.9696331 19 O -2.2911617 -0.4877918 0.6354906 -0.4174007 -1.2890454 0.2364690 0.5201410 0.2943475 -1.5333377 20 O -2.3222161 -0.4954027 -0.6507379 -0.3530101 -1.4291219 -0.2873991 -0.5441860 -0.2854260 -1.4612218 21 O -1.3415529 0.0253921 0.0557635 0.0108299 -1.3248451 -0.1448012 0.1074791 -0.1025385 -1.9696331 22 O -2.2911617 0.4877918 0.6354906 0.4174007 -1.2890454 -0.2364690 0.5201410 -0.2943475 -1.5333377 23 O -1.1592711 -0.1296295 -0.1288910 -0.1014487 -2.1942649 -0.6344378 -0.1026416 -0.6109629 -1.7772050 24 O -1.1592711 0.1296295 -0.1288910 0.1014487 -2.1942649 0.6344378 -0.1026416 0.6109629 -1.7772050 25 O -1.4562260 0.0777883 0.0181109 0.1299590 -1.9017459 0.0101223 -0.0211508 0.0383561 -1.3061915 26 O -2.3222161 -0.4954027 -0.6507379 -0.3530101 -1.4291219 -0.2873991 -0.5441860 -0.2854260 -1.4612218 27 O -1.1592711 0.1296295 -0.1288910 0.1014487 -2.1942649 0.6344378 -0.1026416 0.6109629 -1.7772050 28 O -2.2911617 -0.4877918 0.6354906 -0.4174007 -1.2890454 0.2364690 0.5201410 0.2943475 -1.5333377 29 O -1.1592711 -0.1296295 -0.1288910 -0.1014487 -2.1942649 -0.6344378 -0.1026416 -0.6109629 -1.7772050 30 O -2.3222161 0.4954027 -0.6507379 0.3530101 -1.4291219 0.2873991 -0.5441860 0.2854260 -1.4612218 31 O -1.4562260 0.0777883 0.0181109 0.1299590 -1.9017459 0.0101223 -0.0211508 0.0383561 -1.3061915 32 O -1.3415529 0.0253921 0.0557635 0.0108299 -1.3248451 -0.1448012 0.1074791 -0.1025385 -1.9696331 33 O -1.4562260 -0.0777883 0.0181109 -0.1299590 -1.9017459 -0.0101223 -0.0211508 -0.0383561 -1.3061915 34 O -1.3415529 -0.0253921 0.0557635 -0.0108299 -1.3248451 0.1448012 0.1074791 0.1025385 -1.9696331 35 O -2.3222161 0.4954027 -0.6507379 0.3530101 -1.4291219 0.2873991 -0.5441860 0.2854260 -1.4612218 36 O -1.4562260 -0.0777883 0.0181109 -0.1299590 -1.9017459 -0.0101223 -0.0211508 -0.0383561 -1.3061915 ---------------------------------------------------------------------------- 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 69, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 77, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 97, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xz) -0.00000001 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:40:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:40:44]------------------------- 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): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.890802660021612 0.000000000000000 0.000000000000000 b 0.000000000000000 13.618024559999997 0.000000000000000 c -0.132009948222722 0.000000000000000 7.816613387578583 Atomic positions (fractional): 1 Rb 0.72142630245205 0.19631501173022 0.78362112363049 85.468 2 Rb 0.72142630245205 0.30368498826978 0.28362112363049 85.468 3 Rb 0.27857369754795 0.69631501173022 0.71637887636951 85.468 4 Rb 0.27857369754795 0.80368498826978 0.21637887636951 85.468 5 Na 0.77024458782987 0.90832664677553 0.96127737435724 22.990 6 Na 0.77024458782987 0.59167335322447 0.46127737435724 22.990 7 Na 0.22975541217014 0.09167335322447 0.03872262564276 22.990 8 Na 0.22975541217014 0.40832664677553 0.53872262564276 22.990 9 Si 0.70147534984151 0.45480395546612 0.78859077642749 28.085 10 Si 0.20621451438342 0.36863301113807 0.97914173045459 28.085 11 Si 0.79378548561658 0.86863301113807 0.52085826954541 28.085 12 Si 0.29852465015849 0.95480395546611 0.71140922357251 28.085 13 Si 0.79378548561658 0.63136698886193 0.02085826954541 28.085 14 Si 0.29852465015849 0.54519604453389 0.21140922357251 28.085 15 Si 0.70147534984151 0.04519604453389 0.28859077642749 28.085 16 Si 0.20621451438342 0.13136698886193 0.47914173045459 28.085 17 O 0.37814296715315 0.07053839261285 0.33193087731284 15.999 18 O 0.24188903116061 0.93413902236703 0.90746162020900 15.999 19 O 0.37814296715315 0.42946160738715 0.83193087731284 15.999 20 O 0.11926748975621 0.88772192274962 0.57388407343600 15.999 21 O 0.75811096883939 0.43413902236703 0.59253837979100 15.999 22 O 0.62185703284685 0.92946160738715 0.66806912268716 15.999 23 O 0.25254602425247 0.42748869876018 0.16452805368496 15.999 24 O 0.25254602425247 0.07251130123982 0.66452805368496 15.999 25 O 0.27365983088446 0.25587618454444 0.99783442519270 15.999 26 O 0.88073251024379 0.11227807725038 0.42611592656400 15.999 27 O 0.74745397574753 0.92748869876018 0.33547194631504 15.999 28 O 0.62185703284685 0.57053839261285 0.16806912268716 15.999 29 O 0.74745397574753 0.57251130123982 0.83547194631504 15.999 30 O 0.88073251024379 0.38772192274962 0.92611592656400 15.999 31 O 0.72634016911554 0.74412381545556 0.00216557480730 15.999 32 O 0.24188903116061 0.56586097763297 0.40746162020900 15.999 33 O 0.27365983088446 0.24412381545556 0.49783442519270 15.999 34 O 0.75811096883939 0.06586097763297 0.09253837979100 15.999 35 O 0.11926748975621 0.61227807725038 0.07388407343600 15.999 36 O 0.72634016911554 0.75587618454444 0.50216557480730 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.781605320043225 0.000000000000000 0.000000000000000 b 0.000000000000000 13.618024559999997 0.000000000000000 c -0.264019896445444 0.000000000000000 15.633226775157166 Atomic positions (fractional): 1 Rb 0.36071315122603 0.19631501173022 0.39181056181524 85.468 > 1 2 Rb 0.86071315122603 0.19631501173022 0.39181056181524 85.468 > 1 3 Rb 0.36071315122603 0.19631501173022 0.89181056181524 85.468 > 1 4 Rb 0.86071315122603 0.19631501173022 0.89181056181524 85.468 > 1 5 Rb 0.36071315122603 0.30368498826978 0.14181056181525 85.468 > 5 6 Rb 0.86071315122603 0.30368498826978 0.14181056181525 85.468 > 5 7 Rb 0.36071315122603 0.30368498826978 0.64181056181524 85.468 > 5 8 Rb 0.86071315122603 0.30368498826978 0.64181056181524 85.468 > 5 9 Rb 0.13928684877397 0.69631501173022 0.35818943818476 85.468 > 9 10 Rb 0.63928684877397 0.69631501173022 0.35818943818476 85.468 > 9 11 Rb 0.13928684877397 0.69631501173022 0.85818943818476 85.468 > 9 12 Rb 0.63928684877397 0.69631501173022 0.85818943818476 85.468 > 9 13 Rb 0.13928684877397 0.80368498826978 0.10818943818476 85.468 > 13 14 Rb 0.63928684877397 0.80368498826978 0.10818943818476 85.468 > 13 15 Rb 0.13928684877397 0.80368498826978 0.60818943818476 85.468 > 13 16 Rb 0.63928684877397 0.80368498826978 0.60818943818476 85.468 > 13 17 Na 0.38512229391493 0.90832664677553 0.48063868717862 22.990 > 17 18 Na 0.88512229391493 0.90832664677553 0.48063868717862 22.990 > 17 19 Na 0.38512229391493 0.90832664677553 0.98063868717862 22.990 > 17 20 Na 0.88512229391493 0.90832664677553 0.98063868717862 22.990 > 17 21 Na 0.38512229391493 0.59167335322447 0.23063868717862 22.990 > 21 22 Na 0.88512229391493 0.59167335322447 0.23063868717862 22.990 > 21 23 Na 0.38512229391493 0.59167335322447 0.73063868717862 22.990 > 21 24 Na 0.88512229391493 0.59167335322447 0.73063868717862 22.990 > 21 25 Na 0.11487770608507 0.09167335322447 0.01936131282138 22.990 > 25 26 Na 0.61487770608507 0.09167335322447 0.01936131282138 22.990 > 25 27 Na 0.11487770608507 0.09167335322447 0.51936131282138 22.990 > 25 28 Na 0.61487770608507 0.09167335322447 0.51936131282138 22.990 > 25 29 Na 0.11487770608507 0.40832664677553 0.26936131282138 22.990 > 29 30 Na 0.61487770608507 0.40832664677553 0.26936131282138 22.990 > 29 31 Na 0.11487770608507 0.40832664677553 0.76936131282138 22.990 > 29 32 Na 0.61487770608507 0.40832664677553 0.76936131282138 22.990 > 29 33 Si 0.35073767492076 0.45480395546612 0.39429538821375 28.085 > 33 34 Si 0.85073767492076 0.45480395546612 0.39429538821375 28.085 > 33 35 Si 0.35073767492076 0.45480395546612 0.89429538821375 28.085 > 33 36 Si 0.85073767492076 0.45480395546612 0.89429538821375 28.085 > 33 37 Si 0.10310725719171 0.36863301113807 0.48957086522729 28.085 > 37 38 Si 0.60310725719171 0.36863301113807 0.48957086522729 28.085 > 37 39 Si 0.10310725719171 0.36863301113807 0.98957086522729 28.085 > 37 40 Si 0.60310725719171 0.36863301113807 0.98957086522729 28.085 > 37 41 Si 0.39689274280829 0.86863301113807 0.26042913477271 28.085 > 41 42 Si 0.89689274280829 0.86863301113807 0.26042913477271 28.085 > 41 43 Si 0.39689274280829 0.86863301113807 0.76042913477271 28.085 > 41 44 Si 0.89689274280829 0.86863301113807 0.76042913477271 28.085 > 41 45 Si 0.14926232507925 0.95480395546611 0.35570461178625 28.085 > 45 46 Si 0.64926232507924 0.95480395546611 0.35570461178625 28.085 > 45 47 Si 0.14926232507925 0.95480395546611 0.85570461178625 28.085 > 45 48 Si 0.64926232507924 0.95480395546611 0.85570461178625 28.085 > 45 49 Si 0.39689274280829 0.63136698886193 0.01042913477271 28.085 > 49 50 Si 0.89689274280829 0.63136698886193 0.01042913477271 28.085 > 49 51 Si 0.39689274280829 0.63136698886193 0.51042913477271 28.085 > 49 52 Si 0.89689274280829 0.63136698886193 0.51042913477271 28.085 > 49 53 Si 0.14926232507925 0.54519604453389 0.10570461178625 28.085 > 53 54 Si 0.64926232507924 0.54519604453389 0.10570461178625 28.085 > 53 55 Si 0.14926232507925 0.54519604453389 0.60570461178625 28.085 > 53 56 Si 0.64926232507924 0.54519604453389 0.60570461178625 28.085 > 53 57 Si 0.35073767492076 0.04519604453389 0.14429538821375 28.085 > 57 58 Si 0.85073767492076 0.04519604453389 0.14429538821375 28.085 > 57 59 Si 0.35073767492076 0.04519604453389 0.64429538821375 28.085 > 57 60 Si 0.85073767492076 0.04519604453389 0.64429538821375 28.085 > 57 61 Si 0.10310725719171 0.13136698886193 0.23957086522729 28.085 > 61 62 Si 0.60310725719171 0.13136698886193 0.23957086522729 28.085 > 61 63 Si 0.10310725719171 0.13136698886193 0.73957086522729 28.085 > 61 64 Si 0.60310725719171 0.13136698886193 0.73957086522729 28.085 > 61 65 O 0.18907148357658 0.07053839261285 0.16596543865642 15.999 > 65 66 O 0.68907148357658 0.07053839261285 0.16596543865642 15.999 > 65 67 O 0.18907148357658 0.07053839261285 0.66596543865642 15.999 > 65 68 O 0.68907148357658 0.07053839261285 0.66596543865642 15.999 > 65 69 O 0.12094451558030 0.93413902236703 0.45373081010450 15.999 > 69 70 O 0.62094451558030 0.93413902236703 0.45373081010450 15.999 > 69 71 O 0.12094451558030 0.93413902236703 0.95373081010450 15.999 > 69 72 O 0.62094451558030 0.93413902236703 0.95373081010450 15.999 > 69 73 O 0.18907148357658 0.42946160738715 0.41596543865642 15.999 > 73 74 O 0.68907148357658 0.42946160738715 0.41596543865642 15.999 > 73 75 O 0.18907148357658 0.42946160738715 0.91596543865642 15.999 > 73 76 O 0.68907148357658 0.42946160738715 0.91596543865642 15.999 > 73 77 O 0.05963374487810 0.88772192274962 0.28694203671800 15.999 > 77 78 O 0.55963374487810 0.88772192274962 0.28694203671800 15.999 > 77 79 O 0.05963374487810 0.88772192274962 0.78694203671800 15.999 > 77 80 O 0.55963374487810 0.88772192274962 0.78694203671800 15.999 > 77 81 O 0.37905548441970 0.43413902236703 0.29626918989550 15.999 > 81 82 O 0.87905548441970 0.43413902236703 0.29626918989550 15.999 > 81 83 O 0.37905548441970 0.43413902236703 0.79626918989550 15.999 > 81 84 O 0.87905548441970 0.43413902236703 0.79626918989550 15.999 > 81 85 O 0.31092851642342 0.92946160738715 0.33403456134358 15.999 > 85 86 O 0.81092851642342 0.92946160738715 0.33403456134358 15.999 > 85 87 O 0.31092851642342 0.92946160738715 0.83403456134358 15.999 > 85 88 O 0.81092851642342 0.92946160738715 0.83403456134358 15.999 > 85 89 O 0.12627301212623 0.42748869876018 0.08226402684248 15.999 > 89 90 O 0.62627301212623 0.42748869876018 0.08226402684248 15.999 > 89 91 O 0.12627301212623 0.42748869876018 0.58226402684248 15.999 > 89 92 O 0.62627301212623 0.42748869876018 0.58226402684248 15.999 > 89 93 O 0.12627301212623 0.07251130123982 0.33226402684248 15.999 > 93 94 O 0.62627301212623 0.07251130123982 0.33226402684248 15.999 > 93 95 O 0.12627301212623 0.07251130123982 0.83226402684248 15.999 > 93 96 O 0.62627301212623 0.07251130123982 0.83226402684248 15.999 > 93 97 O 0.13682991544223 0.25587618454444 0.49891721259635 15.999 > 97 98 O 0.63682991544223 0.25587618454444 0.49891721259635 15.999 > 97 99 O 0.13682991544223 0.25587618454444 0.99891721259635 15.999 > 97 100 O 0.63682991544223 0.25587618454444 0.99891721259635 15.999 > 97 101 O 0.44036625512190 0.11227807725038 0.21305796328200 15.999 > 101 102 O 0.94036625512190 0.11227807725038 0.21305796328200 15.999 > 101 103 O 0.44036625512190 0.11227807725038 0.71305796328200 15.999 > 101 104 O 0.94036625512190 0.11227807725038 0.71305796328200 15.999 > 101 105 O 0.37372698787377 0.92748869876018 0.16773597315752 15.999 > 105 106 O 0.87372698787377 0.92748869876018 0.16773597315752 15.999 > 105 107 O 0.37372698787377 0.92748869876018 0.66773597315752 15.999 > 105 108 O 0.87372698787377 0.92748869876018 0.66773597315752 15.999 > 105 109 O 0.31092851642342 0.57053839261285 0.08403456134358 15.999 > 109 110 O 0.81092851642342 0.57053839261285 0.08403456134358 15.999 > 109 111 O 0.31092851642342 0.57053839261285 0.58403456134358 15.999 > 109 112 O 0.81092851642342 0.57053839261285 0.58403456134358 15.999 > 109 113 O 0.37372698787377 0.57251130123982 0.41773597315752 15.999 > 113 114 O 0.87372698787377 0.57251130123982 0.41773597315752 15.999 > 113 115 O 0.37372698787377 0.57251130123982 0.91773597315752 15.999 > 113 116 O 0.87372698787377 0.57251130123982 0.91773597315752 15.999 > 113 117 O 0.44036625512190 0.38772192274962 0.46305796328200 15.999 > 117 118 O 0.94036625512190 0.38772192274962 0.46305796328200 15.999 > 117 119 O 0.44036625512190 0.38772192274962 0.96305796328200 15.999 > 117 120 O 0.94036625512190 0.38772192274962 0.96305796328200 15.999 > 117 121 O 0.36317008455777 0.74412381545556 0.00108278740365 15.999 > 121 122 O 0.86317008455777 0.74412381545556 0.00108278740365 15.999 > 121 123 O 0.36317008455777 0.74412381545556 0.50108278740365 15.999 > 121 124 O 0.86317008455777 0.74412381545556 0.50108278740365 15.999 > 121 125 O 0.12094451558030 0.56586097763297 0.20373081010450 15.999 > 125 126 O 0.62094451558030 0.56586097763297 0.20373081010450 15.999 > 125 127 O 0.12094451558030 0.56586097763297 0.70373081010450 15.999 > 125 128 O 0.62094451558030 0.56586097763297 0.70373081010450 15.999 > 125 129 O 0.13682991544223 0.24412381545556 0.24891721259635 15.999 > 129 130 O 0.63682991544223 0.24412381545556 0.24891721259635 15.999 > 129 131 O 0.13682991544223 0.24412381545556 0.74891721259635 15.999 > 129 132 O 0.63682991544223 0.24412381545556 0.74891721259635 15.999 > 129 133 O 0.37905548441970 0.06586097763297 0.04626918989550 15.999 > 133 134 O 0.87905548441970 0.06586097763297 0.04626918989550 15.999 > 133 135 O 0.37905548441970 0.06586097763297 0.54626918989550 15.999 > 133 136 O 0.87905548441970 0.06586097763297 0.54626918989550 15.999 > 133 137 O 0.05963374487810 0.61227807725038 0.03694203671800 15.999 > 137 138 O 0.55963374487810 0.61227807725038 0.03694203671800 15.999 > 137 139 O 0.05963374487810 0.61227807725038 0.53694203671800 15.999 > 137 140 O 0.55963374487810 0.61227807725038 0.53694203671800 15.999 > 137 141 O 0.36317008455777 0.75587618454444 0.25108278740365 15.999 > 141 142 O 0.86317008455777 0.75587618454444 0.25108278740365 15.999 > 141 143 O 0.36317008455777 0.75587618454444 0.75108278740365 15.999 > 141 144 O 0.86317008455777 0.75587618454444 0.75108278740365 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5745652 0.0000000 0.0038868 0.0000000 2.5451511 0.0000000 0.0038873 0.0000000 2.5496144 -------------------------- Born effective charges -------------------------- 1 Rb 1.2532358 0.0110814 0.0020033 0.0054178 1.2349918 0.1466646 0.0076557 0.0897047 1.2788545 2 Rb 1.2532358 -0.0110814 0.0020033 -0.0054178 1.2349918 -0.1466646 0.0076557 -0.0897047 1.2788545 3 Rb 1.2532358 -0.0110814 0.0020033 -0.0054178 1.2349918 -0.1466646 0.0076557 -0.0897047 1.2788545 4 Rb 1.2532358 0.0110814 0.0020033 0.0054178 1.2349918 0.1466646 0.0076557 0.0897047 1.2788545 5 Na 1.0599245 -0.0058113 0.0165340 0.0115216 1.0774988 0.0088943 0.0043830 0.0410633 1.1389086 6 Na 1.0599245 0.0058113 0.0165340 -0.0115216 1.0774988 -0.0088943 0.0043830 -0.0410633 1.1389086 7 Na 1.0599245 -0.0058113 0.0165340 0.0115216 1.0774988 0.0088943 0.0043830 0.0410633 1.1389086 8 Na 1.0599245 0.0058113 0.0165340 -0.0115216 1.0774988 -0.0088943 0.0043830 -0.0410633 1.1389086 9 Si 3.0771038 -0.0903845 0.1618873 0.1382556 2.8564700 0.0870795 -0.1679869 0.1685385 2.9512054 10 Si 3.1801637 0.0996074 -0.1101607 -0.1036402 2.9700625 0.1513212 0.1963065 -0.0483109 2.6786206 11 Si 3.1801637 -0.0996074 -0.1101607 0.1036402 2.9700625 -0.1513212 0.1963065 0.0483109 2.6786206 12 Si 3.0771038 0.0903845 0.1618873 -0.1382556 2.8564700 -0.0870795 -0.1679869 -0.1685385 2.9512054 13 Si 3.1801637 0.0996074 -0.1101607 -0.1036402 2.9700625 0.1513212 0.1963065 -0.0483109 2.6786206 14 Si 3.0771038 -0.0903845 0.1618873 0.1382556 2.8564700 0.0870795 -0.1679869 0.1685385 2.9512054 15 Si 3.0771038 0.0903845 0.1618873 -0.1382556 2.8564700 -0.0870795 -0.1679869 -0.1685385 2.9512054 16 Si 3.1801637 -0.0996074 -0.1101607 0.1036402 2.9700625 -0.1513212 0.1963065 0.0483109 2.6786206 17 O -2.2911617 0.4877918 0.6354906 0.4174007 -1.2890454 -0.2364690 0.5201410 -0.2943475 -1.5333377 18 O -1.3415529 -0.0253921 0.0557635 -0.0108299 -1.3248451 0.1448012 0.1074791 0.1025385 -1.9696331 19 O -2.2911617 -0.4877918 0.6354906 -0.4174007 -1.2890454 0.2364690 0.5201410 0.2943475 -1.5333377 20 O -2.3222161 -0.4954027 -0.6507379 -0.3530101 -1.4291219 -0.2873991 -0.5441860 -0.2854260 -1.4612218 21 O -1.3415529 0.0253921 0.0557635 0.0108299 -1.3248451 -0.1448012 0.1074791 -0.1025385 -1.9696331 22 O -2.2911617 0.4877918 0.6354906 0.4174007 -1.2890454 -0.2364690 0.5201410 -0.2943475 -1.5333377 23 O -1.1592711 -0.1296295 -0.1288910 -0.1014487 -2.1942649 -0.6344378 -0.1026416 -0.6109629 -1.7772050 24 O -1.1592711 0.1296295 -0.1288910 0.1014487 -2.1942649 0.6344378 -0.1026416 0.6109629 -1.7772050 25 O -1.4562260 0.0777883 0.0181109 0.1299590 -1.9017459 0.0101223 -0.0211508 0.0383561 -1.3061915 26 O -2.3222161 -0.4954027 -0.6507379 -0.3530101 -1.4291219 -0.2873991 -0.5441860 -0.2854260 -1.4612218 27 O -1.1592711 0.1296295 -0.1288910 0.1014487 -2.1942649 0.6344378 -0.1026416 0.6109629 -1.7772050 28 O -2.2911617 -0.4877918 0.6354906 -0.4174007 -1.2890454 0.2364690 0.5201410 0.2943475 -1.5333377 29 O -1.1592711 -0.1296295 -0.1288910 -0.1014487 -2.1942649 -0.6344378 -0.1026416 -0.6109629 -1.7772050 30 O -2.3222161 0.4954027 -0.6507379 0.3530101 -1.4291219 0.2873991 -0.5441860 0.2854260 -1.4612218 31 O -1.4562260 0.0777883 0.0181109 0.1299590 -1.9017459 0.0101223 -0.0211508 0.0383561 -1.3061915 32 O -1.3415529 0.0253921 0.0557635 0.0108299 -1.3248451 -0.1448012 0.1074791 -0.1025385 -1.9696331 33 O -1.4562260 -0.0777883 0.0181109 -0.1299590 -1.9017459 -0.0101223 -0.0211508 -0.0383561 -1.3061915 34 O -1.3415529 -0.0253921 0.0557635 -0.0108299 -1.3248451 0.1448012 0.1074791 0.1025385 -1.9696331 35 O -2.3222161 0.4954027 -0.6507379 0.3530101 -1.4291219 0.2873991 -0.5441860 0.2854260 -1.4612218 36 O -1.4562260 -0.0777883 0.0181109 -0.1299590 -1.9017459 -0.0101223 -0.0211508 -0.0383561 -1.3061915 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- 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 ... [ 10 4 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: 0.52, Number of G-points: 303, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/96) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 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 1.500 ( 0.000 0.000 0.000) 0.000 1.533 ( 0.000 0.000 0.000) 0.000 1.686 ( 0.000 0.000 0.000) 0.000 1.795 ( 0.000 0.000 0.000) 0.000 1.928 ( 0.000 0.000 0.000) 0.000 1.950 ( 0.000 0.000 0.000) 0.000 2.030 ( 0.000 0.000 0.000) 0.000 2.155 ( 0.000 0.000 0.000) 0.000 2.479 ( 0.000 0.000 0.000) 0.000 2.577 ( 0.000 0.000 0.000) 0.000 2.702 ( 0.000 0.000 0.000) 0.000 2.736 ( 0.000 0.000 0.000) 0.000 2.781 ( 0.000 0.000 0.000) 0.000 2.869 ( 0.000 0.000 0.000) 0.000 3.128 ( 0.000 0.000 0.000) 0.000 3.311 ( 0.000 0.000 0.000) 0.000 3.468 ( 0.000 0.000 0.000) 0.000 3.478 ( 0.000 0.000 0.000) 0.000 3.740 ( 0.000 0.000 0.000) 0.000 3.954 ( 0.000 0.000 0.000) 0.000 4.001 ( 0.000 0.000 0.000) 0.000 4.114 ( 0.000 0.000 0.000) 0.000 4.579 ( 0.000 0.000 0.000) 0.000 4.579 ( 0.000 0.000 0.000) 0.000 4.686 ( 0.000 0.000 0.000) 0.000 4.752 ( 0.000 0.000 0.000) 0.000 4.845 ( 0.000 0.000 0.000) 0.000 4.985 ( 0.000 0.000 0.000) 0.000 5.173 ( 0.000 0.000 0.000) 0.000 5.410 ( 0.000 0.000 0.000) 0.000 5.664 ( 0.000 0.000 0.000) 0.000 5.803 ( 0.000 0.000 0.000) 0.000 5.857 ( 0.000 0.000 0.000) 0.000 5.864 ( 0.000 0.000 0.000) 0.000 6.003 ( 0.000 0.000 0.000) 0.000 6.036 ( 0.000 0.000 0.000) 0.000 6.093 ( 0.000 0.000 0.000) 0.000 6.138 ( 0.000 0.000 0.000) 0.000 6.180 ( 0.000 0.000 0.000) 0.000 6.613 ( 0.000 0.000 0.000) 0.000 6.792 ( 0.000 0.000 0.000) 0.000 7.342 ( 0.000 0.000 0.000) 0.000 7.450 ( 0.000 0.000 0.000) 0.000 7.505 ( 0.000 0.000 0.000) 0.000 7.765 ( 0.000 0.000 0.000) 0.000 8.075 ( 0.000 0.000 0.000) 0.000 8.268 ( 0.000 0.000 0.000) 0.000 8.360 ( 0.000 0.000 0.000) 0.000 8.541 ( 0.000 0.000 0.000) 0.000 8.739 ( 0.000 0.000 0.000) 0.000 9.197 ( 0.000 0.000 0.000) 0.000 9.487 ( 0.000 0.000 0.000) 0.000 9.511 ( 0.000 0.000 0.000) 0.000 9.652 ( 0.000 0.000 0.000) 0.000 9.709 ( 0.000 0.000 0.000) 0.000 10.604 ( 0.000 0.000 0.000) 0.000 10.632 ( 0.000 0.000 0.000) 0.000 11.360 ( 0.000 0.000 0.000) 0.000 11.391 ( 0.000 0.000 0.000) 0.000 11.837 ( 0.000 0.000 0.000) 0.000 11.982 ( 0.000 0.000 0.000) 0.000 12.395 ( 0.000 0.000 0.000) 0.000 12.398 ( 0.000 0.000 0.000) 0.000 12.697 ( 0.000 0.000 0.000) 0.000 12.911 ( 0.000 0.000 0.000) 0.000 13.681 ( 0.000 0.000 0.000) 0.000 13.848 ( 0.000 0.000 0.000) 0.000 13.967 ( 0.000 0.000 0.000) 0.000 14.072 ( 0.000 0.000 0.000) 0.000 14.693 ( 0.000 0.000 0.000) 0.000 14.753 ( 0.000 0.000 0.000) 0.000 14.957 ( 0.000 0.000 0.000) 0.000 14.988 ( 0.000 0.000 0.000) 0.000 15.375 ( 0.000 0.000 0.000) 0.000 15.437 ( 0.000 0.000 0.000) 0.000 16.975 ( 0.000 0.000 0.000) 0.000 17.049 ( 0.000 0.000 0.000) 0.000 19.763 ( 0.000 0.000 0.000) 0.000 19.863 ( 0.000 0.000 0.000) 0.000 21.531 ( 0.000 0.000 0.000) 0.000 21.541 ( 0.000 0.000 0.000) 0.000 21.786 ( 0.000 0.000 0.000) 0.000 21.985 ( 0.000 0.000 0.000) 0.000 22.139 ( 0.000 0.000 0.000) 0.000 22.369 ( 0.000 0.000 0.000) 0.000 27.729 ( 0.000 0.000 0.000) 0.000 27.733 ( 0.000 0.000 0.000) 0.000 28.283 ( 0.000 0.000 0.000) 0.000 28.299 ( 0.000 0.000 0.000) 0.000 28.326 ( 0.000 0.000 0.000) 0.000 28.327 ( 0.000 0.000 0.000) 0.000 28.806 ( 0.000 0.000 0.000) 0.000 28.867 ( 0.000 0.000 0.000) 0.000 29.481 ( 0.000 0.000 0.000) 0.000 29.894 ( 0.000 0.000 0.000) 0.000 30.215 ( 0.000 0.000 0.000) 0.000 30.459 ( 0.000 0.000 0.000) 0.000 31.038 ( 0.000 0.000 0.000) 0.000 31.042 ( 0.000 0.000 0.000) 0.000 32.005 ( 0.000 0.000 0.000) 0.000 32.069 ( 0.000 0.000 0.000) 0.000 32.113 ( 0.000 0.000 0.000) 0.000 32.529 ( 0.000 0.000 0.000) 0.000 32.835 ( 0.000 0.000 0.000) 0.000 33.479 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/96) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 30.264 0.000 -0.900) 30.278 0.663 ( 31.391 0.000 2.503) 31.490 1.067 ( 47.221 0.000 -2.724) 47.299 1.531 ( 2.277 0.000 0.805) 2.415 1.550 ( 1.529 0.000 0.790) 1.721 1.686 ( -1.322 0.000 5.035) 5.205 1.853 ( 0.531 0.000 -3.379) 3.421 1.968 ( 2.306 0.000 3.646) 4.314 2.040 ( 8.583 0.000 -6.274) 10.631 2.064 ( 3.492 0.000 2.941) 4.566 2.147 ( -0.609 0.000 -3.163) 3.221 2.508 ( 1.318 0.000 3.656) 3.886 2.577 ( 0.763 0.000 -2.219) 2.347 2.695 ( -0.594 0.000 0.324) 0.677 2.877 ( 10.811 0.000 1.005) 10.858 2.929 ( 3.314 0.000 0.987) 3.458 3.043 ( -5.471 0.000 -7.114) 8.974 3.128 ( 4.264 0.000 6.051) 7.402 3.324 ( 0.751 0.000 1.929) 2.070 3.513 ( 2.631 0.000 0.964) 2.802 3.519 ( 0.409 0.000 -0.894) 0.983 3.732 ( -1.174 0.000 -2.328) 2.607 3.965 ( -2.749 0.000 8.009) 8.468 4.086 ( 5.844 0.000 8.273) 10.129 4.138 ( 1.049 0.000 -3.299) 3.462 4.574 ( 8.191 0.000 -8.361) 11.705 4.674 ( 2.555 0.000 -2.992) 3.934 4.681 ( 2.953 0.000 7.557) 8.113 4.729 ( 0.443 0.000 -1.815) 1.868 4.821 ( -1.478 0.000 -2.355) 2.780 5.211 ( 3.466 0.000 -2.981) 4.571 5.365 ( 0.964 0.000 -23.898) 23.918 5.455 ( 4.123 0.000 -4.324) 5.974 5.621 ( -2.974 0.000 -0.047) 2.975 5.831 ( -1.985 0.000 -5.909) 6.233 5.849 ( -0.408 0.000 8.067) 8.078 5.976 ( 9.731 0.000 4.515) 10.727 5.990 ( -2.101 0.000 0.562) 2.175 6.047 ( -0.361 0.000 8.517) 8.525 6.156 ( 5.469 0.000 3.635) 6.567 6.182 ( 3.243 0.000 10.522) 11.010 6.380 ( 13.112 0.000 3.090) 13.471 6.640 ( 2.173 0.000 -0.748) 2.298 6.731 ( -5.872 0.000 0.958) 5.950 7.413 ( -5.402 0.000 -0.909) 5.478 7.580 ( 9.970 0.000 -0.808) 10.002 7.645 ( -3.305 0.000 -3.240) 4.628 7.776 ( 3.184 0.000 -0.947) 3.322 8.052 ( -1.512 0.000 -2.304) 2.756 8.268 ( -1.168 0.000 8.008) 8.093 8.361 ( 2.222 0.000 -4.689) 5.188 8.621 ( 6.801 0.000 -2.473) 7.236 8.814 ( 6.004 0.000 3.457) 6.928 9.165 ( -2.522 0.000 3.645) 4.433 9.560 ( 6.418 0.000 0.797) 6.467 9.568 ( 4.961 0.000 -0.555) 4.992 9.718 ( 3.159 0.000 -0.144) 3.162 9.726 ( 1.660 0.000 -1.367) 2.150 10.568 ( -3.992 0.000 -0.200) 3.997 10.570 ( -5.676 0.000 -1.042) 5.771 11.341 ( -0.596 0.000 0.948) 1.120 11.372 ( -0.798 0.000 1.198) 1.440 11.831 ( 0.167 0.000 -3.443) 3.447 11.949 ( -2.033 0.000 -2.236) 3.021 12.550 ( 12.628 0.000 1.237) 12.688 12.561 ( 12.593 0.000 1.671) 12.703 12.635 ( -5.710 0.000 0.925) 5.784 13.245 ( -12.079 0.000 12.197) 17.166 13.575 ( -10.298 0.000 3.646) 10.924 13.815 ( -14.453 0.000 -0.497) 14.461 13.839 ( -15.778 0.000 -2.327) 15.948 14.156 ( -30.274 0.000 -10.140) 31.927 14.685 ( -13.140 0.000 0.373) 13.145 14.740 ( -15.249 0.000 -1.147) 15.292 15.011 ( 5.621 0.000 0.137) 5.622 15.297 ( -6.943 0.000 -0.505) 6.961 15.430 ( 6.437 0.000 0.541) 6.460 15.629 ( 35.004 0.000 -18.965) 39.812 17.226 ( 22.410 0.000 0.084) 22.410 17.681 ( 13.591 0.000 27.310) 30.505 19.504 ( -21.726 0.000 0.704) 21.738 19.579 ( -23.236 0.000 -0.825) 23.251 21.508 ( -3.234 0.000 0.559) 3.282 21.553 ( -1.361 0.000 -0.228) 1.380 22.007 ( 18.398 0.000 -1.177) 18.436 22.124 ( 6.147 0.000 -9.402) 11.233 22.237 ( 14.538 0.000 9.125) 17.164 22.341 ( -2.169 0.000 -0.819) 2.318 27.725 ( -0.276 0.000 -0.082) 0.288 27.731 ( -0.128 0.000 -0.021) 0.130 28.285 ( -3.360 0.000 -0.275) 3.371 28.301 ( -2.519 0.000 -0.398) 2.550 28.537 ( 22.492 0.000 -0.472) 22.496 28.888 ( 7.891 0.000 0.148) 7.892 28.950 ( 8.056 0.000 0.289) 8.061 29.580 ( 9.132 0.000 1.094) 9.198 29.931 ( 3.754 0.000 -2.442) 4.478 30.235 ( 2.028 0.000 -0.900) 2.218 30.476 ( 2.606 0.000 -14.902) 15.128 30.971 ( -0.163 0.000 69.433) 69.433 31.030 ( -0.729 0.000 0.044) 0.730 31.171 ( -2.588 0.000 -63.888) 63.941 31.964 ( -3.959 0.000 0.988) 4.080 32.014 ( -5.139 0.000 2.599) 5.758 32.083 ( -3.065 0.000 -2.126) 3.730 32.484 ( -4.463 0.000 0.836) 4.541 32.776 ( -9.966 0.000 7.292) 12.349 33.367 ( -10.544 0.000 -0.713) 10.568 ======================= Grid point 2 (3/96) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 26.928 0.000 -0.388) 26.931 1.234 ( 21.672 0.000 0.396) 21.676 1.531 ( 0.378 0.000 0.536) 0.656 1.579 ( 1.995 0.000 2.261) 3.015 1.712 ( 5.578 0.000 0.959) 5.660 1.836 ( -1.124 0.000 -1.911) 2.217 1.866 ( 21.978 0.000 7.428) 23.199 2.016 ( 5.686 0.000 1.968) 6.017 2.044 ( -3.157 0.000 -4.171) 5.231 2.168 ( 6.045 0.000 4.430) 7.495 2.233 ( 3.895 0.000 -6.552) 7.623 2.483 ( -3.665 0.000 3.386) 4.990 2.625 ( 5.294 0.000 -2.930) 6.050 2.720 ( 3.725 0.000 3.555) 5.149 2.904 ( -3.623 0.000 -2.995) 4.701 2.935 ( -3.528 0.000 -2.674) 4.427 3.161 ( 5.383 0.000 -2.580) 5.969 3.181 ( -0.504 0.000 5.747) 5.770 3.416 ( 9.264 0.000 1.688) 9.416 3.478 ( -6.355 0.000 4.459) 7.763 3.532 ( 1.400 0.000 2.559) 2.917 3.691 ( -1.887 0.000 -4.202) 4.606 3.899 ( 0.505 0.000 1.953) 2.017 4.077 ( -6.169 0.000 4.831) 7.836 4.299 ( 15.322 0.000 -4.906) 16.088 4.617 ( -3.714 0.000 -3.465) 5.079 4.703 ( 1.357 0.000 -1.260) 1.852 4.802 ( 2.894 0.000 -6.855) 7.441 4.935 ( 17.751 0.000 4.281) 18.260 5.034 ( 21.416 0.000 -2.545) 21.566 5.288 ( 3.383 0.000 -2.067) 3.965 5.353 ( -1.355 0.000 -7.881) 7.996 5.517 ( -0.144 0.000 -3.226) 3.229 5.553 ( -2.661 0.000 0.616) 2.731 5.802 ( -0.825 0.000 -6.643) 6.694 5.816 ( -2.797 0.000 0.541) 2.849 5.985 ( 1.142 0.000 1.663) 2.017 6.054 ( 0.102 0.000 4.471) 4.473 6.263 ( 18.600 0.000 3.293) 18.890 6.300 ( 8.219 0.000 6.566) 10.520 6.316 ( 11.526 0.000 2.116) 11.718 6.569 ( -8.945 0.000 1.713) 9.107 6.682 ( 1.704 0.000 -0.950) 1.951 6.684 ( 16.377 0.000 1.729) 16.468 7.327 ( -1.255 0.000 -0.722) 1.448 7.507 ( -8.843 0.000 -0.393) 8.852 7.838 ( 12.164 0.000 1.040) 12.208 7.934 ( 11.867 0.000 0.053) 11.867 8.055 ( 4.348 0.000 -5.644) 7.124 8.213 ( -3.274 0.000 -0.240) 3.283 8.513 ( 11.604 0.000 2.523) 11.875 8.777 ( 8.050 0.000 -3.683) 8.853 8.945 ( 6.186 0.000 4.352) 7.564 9.127 ( -0.719 0.000 5.901) 5.944 9.707 ( 8.509 0.000 -3.591) 9.235 9.722 ( 8.846 0.000 0.584) 8.865 9.782 ( 4.083 0.000 -0.019) 4.083 9.823 ( 7.154 0.000 4.941) 8.695 10.425 ( -7.434 0.000 -2.849) 7.961 10.431 ( -8.885 0.000 -1.280) 8.976 11.394 ( 6.289 0.000 2.046) 6.613 11.407 ( 4.756 0.000 2.101) 5.199 11.835 ( -0.496 0.000 -5.350) 5.373 11.907 ( -2.456 0.000 -4.083) 4.764 12.409 ( -14.398 0.000 2.539) 14.620 12.818 ( 9.272 0.000 2.083) 9.503 12.851 ( 10.094 0.000 1.885) 10.268 12.895 ( -20.561 0.000 5.025) 21.167 13.291 ( -16.292 0.000 3.471) 16.657 13.404 ( -23.886 0.000 -2.011) 23.970 13.422 ( -21.186 0.000 0.034) 21.186 13.606 ( -22.992 0.000 -5.413) 23.621 14.275 ( -24.399 0.000 0.284) 24.401 14.319 ( -24.615 0.000 0.228) 24.616 14.944 ( -9.176 0.000 0.044) 9.177 15.101 ( -11.770 0.000 -0.179) 11.771 15.888 ( 32.169 0.000 1.463) 32.202 16.311 ( 31.486 0.000 -8.602) 32.640 17.801 ( 32.153 0.000 0.795) 32.162 18.086 ( 24.220 0.000 11.523) 26.822 19.012 ( -24.395 0.000 0.436) 24.399 19.077 ( -23.208 0.000 -0.456) 23.212 21.376 ( -10.150 0.000 0.653) 10.171 21.446 ( -9.239 0.000 -0.305) 9.244 22.221 ( 5.372 0.000 -3.047) 6.176 22.295 ( 0.787 0.000 1.313) 1.531 22.407 ( 15.865 0.000 -3.685) 16.287 22.600 ( 16.184 0.000 3.664) 16.594 27.723 ( 0.196 0.000 -0.148) 0.246 27.731 ( 0.147 0.000 -0.013) 0.148 28.193 ( -5.272 0.000 -0.287) 5.280 28.226 ( -4.760 0.000 -0.512) 4.787 29.093 ( 27.503 0.000 -0.564) 27.509 29.116 ( 13.877 0.000 0.413) 13.883 29.193 ( 16.838 0.000 0.702) 16.852 29.816 ( 12.742 0.000 1.419) 12.821 30.030 ( 5.608 0.000 -1.410) 5.782 30.303 ( 4.920 0.000 -1.584) 5.169 30.548 ( 4.775 0.000 -4.612) 6.639 30.999 ( 0.734 0.000 16.414) 16.430 31.014 ( -0.645 0.000 0.377) 0.747 31.077 ( -4.110 0.000 -17.119) 17.606 31.847 ( -7.390 0.000 1.485) 7.538 31.871 ( -8.682 0.000 2.431) 9.016 31.990 ( -5.552 0.000 -1.746) 5.820 32.351 ( -8.294 0.000 1.256) 8.389 32.536 ( -12.402 0.000 1.681) 12.515 33.076 ( -17.014 0.000 -1.234) 17.059 ======================= Grid point 3 (4/96) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 1.005 0.000 2.176) 2.396 1.524 ( -0.461 0.000 0.217) 0.510 1.587 ( 1.355 0.000 0.624) 1.492 1.683 ( 11.758 0.000 -0.178) 11.759 1.803 ( -1.085 0.000 -1.279) 1.677 1.932 ( 8.538 0.000 -2.009) 8.771 2.005 ( 7.219 0.000 5.581) 9.125 2.024 ( 0.919 0.000 0.421) 1.011 2.263 ( 1.182 0.000 -2.135) 2.441 2.265 ( 8.672 0.000 2.586) 9.049 2.299 ( 5.650 0.000 6.007) 8.246 2.408 ( -0.705 0.000 -2.961) 3.043 2.734 ( 0.608 0.000 -1.446) 1.568 2.757 ( -6.017 0.000 -1.702) 6.253 2.936 ( 11.427 0.000 6.305) 13.051 2.948 ( 11.163 0.000 -0.940) 11.202 3.103 ( -7.208 0.000 6.476) 9.690 3.196 ( 1.695 0.000 -5.655) 5.904 3.242 ( -11.345 0.000 8.692) 14.292 3.574 ( 1.611 0.000 0.898) 1.844 3.611 ( 4.976 0.000 3.723) 6.215 3.697 ( 3.496 0.000 0.445) 3.524 3.927 ( -6.411 0.000 -3.264) 7.194 3.945 ( 0.914 0.000 1.305) 1.593 4.466 ( -11.056 0.000 -3.141) 11.493 4.636 ( 12.562 0.000 -2.533) 12.815 4.776 ( 4.394 0.000 -5.679) 7.181 4.924 ( 9.804 0.000 -7.789) 12.522 5.191 ( 0.299 0.000 -3.532) 3.545 5.230 ( -4.041 0.000 -11.154) 11.863 5.316 ( -0.481 0.000 -0.778) 0.915 5.355 ( -1.809 0.000 -3.024) 3.524 5.497 ( 8.690 0.000 5.152) 10.102 5.664 ( 14.259 0.000 4.510) 14.955 5.717 ( -6.966 0.000 -1.424) 7.110 5.818 ( 3.596 0.000 -6.636) 7.548 5.970 ( -2.833 0.000 1.237) 3.092 6.095 ( 4.491 0.000 1.755) 4.821 6.399 ( -5.807 0.000 5.637) 8.093 6.496 ( 8.924 0.000 6.653) 11.131 6.583 ( 4.464 0.000 -2.089) 4.929 6.630 ( 15.137 0.000 1.589) 15.220 6.776 ( 11.215 0.000 -0.042) 11.215 7.037 ( 14.075 0.000 -0.037) 14.075 7.354 ( -1.290 0.000 1.480) 1.963 7.411 ( 9.975 0.000 0.617) 9.994 7.943 ( 1.116 0.000 -0.042) 1.117 8.152 ( -2.555 0.000 -2.641) 3.675 8.230 ( 15.696 0.000 0.789) 15.716 8.329 ( 18.677 0.000 -3.543) 19.010 8.810 ( 17.118 0.000 3.869) 17.550 8.961 ( 11.252 0.000 -3.231) 11.707 9.065 ( 5.576 0.000 4.242) 7.007 9.152 ( 2.988 0.000 6.333) 7.002 9.851 ( 1.845 0.000 -1.109) 2.152 9.879 ( 5.409 0.000 -2.254) 5.860 9.935 ( 11.384 0.000 4.702) 12.317 10.012 ( 10.928 0.000 6.155) 12.542 10.281 ( -1.493 0.000 -3.991) 4.261 10.329 ( 0.485 0.000 -6.288) 6.307 11.560 ( 9.323 0.000 1.555) 9.452 11.575 ( 9.629 0.000 2.548) 9.961 11.763 ( -7.654 0.000 -6.338) 9.937 11.789 ( -11.714 0.000 -2.888) 12.064 12.112 ( -11.682 0.000 2.092) 11.867 12.436 ( -20.433 0.000 5.299) 21.109 12.606 ( -29.539 0.000 -0.298) 29.541 12.627 ( -28.128 0.000 -0.420) 28.131 13.000 ( -16.243 0.000 2.724) 16.469 13.113 ( -12.453 0.000 -2.899) 12.786 13.189 ( -5.931 0.000 2.010) 6.262 13.257 ( -8.239 0.000 -1.634) 8.399 13.840 ( -11.078 0.000 0.099) 11.078 13.850 ( -15.104 0.000 0.334) 15.107 14.727 ( -11.530 0.000 -0.127) 11.530 14.831 ( -14.315 0.000 -0.226) 14.316 16.565 ( 32.111 0.000 1.653) 32.153 16.898 ( 26.028 0.000 -3.545) 26.268 18.417 ( 6.870 0.000 1.003) 6.943 18.449 ( -5.401 0.000 1.953) 5.743 18.626 ( 7.392 0.000 0.037) 7.392 18.860 ( 17.449 0.000 2.821) 17.676 21.081 ( -18.777 0.000 0.576) 18.786 21.172 ( -17.625 0.000 -0.358) 17.629 22.335 ( 4.004 0.000 -0.201) 4.009 22.353 ( 7.511 0.000 -2.026) 7.779 22.656 ( 7.432 0.000 -1.759) 7.638 22.834 ( 6.281 0.000 2.454) 6.743 27.737 ( 1.185 0.000 -0.167) 1.197 27.742 ( 1.065 0.000 0.010) 1.065 28.078 ( -5.752 0.000 -0.121) 5.753 28.114 ( -5.942 0.000 -0.364) 5.953 29.431 ( 16.211 0.000 0.774) 16.229 29.471 ( 15.414 0.000 0.995) 15.446 29.712 ( 25.407 0.000 -0.560) 25.413 30.051 ( 9.375 0.000 0.635) 9.396 30.135 ( 3.849 0.000 -1.101) 4.003 30.451 ( 9.872 0.000 -1.449) 9.978 30.667 ( 6.912 0.000 0.859) 6.965 30.936 ( -4.469 0.000 -22.709) 23.145 31.006 ( -0.424 0.000 1.225) 1.296 31.085 ( 2.981 0.000 18.504) 18.742 31.670 ( -10.851 0.000 1.413) 10.943 31.672 ( -9.598 0.000 0.880) 9.639 31.878 ( -4.505 0.000 -1.030) 4.621 32.167 ( -8.892 0.000 0.589) 8.912 32.299 ( -10.633 0.000 0.534) 10.646 32.702 ( -18.835 0.000 -1.356) 18.884 ======================= Grid point 4 (5/96) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( -1.496 0.000 1.743) 2.297 1.509 ( -0.889 0.000 0.282) 0.933 1.604 ( 1.470 0.000 0.300) 1.501 1.707 ( -2.417 0.000 0.285) 2.433 1.800 ( -3.199 0.000 -4.234) 5.307 1.996 ( 2.057 0.000 3.193) 3.798 2.048 ( 1.127 0.000 2.487) 2.731 2.182 ( 4.694 0.000 -1.594) 4.958 2.242 ( -2.349 0.000 0.056) 2.349 2.362 ( 1.359 0.000 2.894) 3.197 2.392 ( 4.345 0.000 2.932) 5.242 2.583 ( 10.477 0.000 -4.133) 11.263 2.658 ( -1.865 0.000 -4.054) 4.462 2.714 ( 3.192 0.000 2.713) 4.190 2.930 ( -8.076 0.000 5.340) 9.682 3.059 ( -6.480 0.000 6.159) 8.940 3.180 ( 5.671 0.000 -10.656) 12.071 3.226 ( 11.783 0.000 5.597) 13.045 3.320 ( 11.644 0.000 5.376) 12.825 3.551 ( -2.897 0.000 -3.060) 4.213 3.658 ( 0.007 0.000 5.404) 5.404 3.795 ( 5.617 0.000 9.437) 10.982 3.917 ( 5.024 0.000 -3.788) 6.292 3.932 ( -1.210 0.000 -0.507) 1.312 4.220 ( -9.792 0.000 0.065) 9.792 4.722 ( -11.464 0.000 -9.123) 14.651 4.731 ( -2.904 0.000 -8.905) 9.367 5.057 ( -3.533 0.000 -5.742) 6.741 5.108 ( -2.579 0.000 -4.796) 5.446 5.147 ( 3.757 0.000 3.463) 5.109 5.286 ( 0.952 0.000 -1.397) 1.691 5.320 ( 0.674 0.000 -0.376) 0.771 5.534 ( -8.280 0.000 -1.830) 8.480 5.770 ( 6.316 0.000 4.926) 8.010 5.898 ( 5.298 0.000 1.598) 5.534 5.925 ( 0.432 0.000 -0.898) 0.997 5.979 ( 12.641 0.000 -6.789) 14.348 6.249 ( 10.948 0.000 -2.293) 11.185 6.297 ( -4.262 0.000 5.464) 6.930 6.504 ( -5.732 0.000 0.316) 5.741 6.741 ( 10.569 0.000 3.763) 11.219 6.847 ( 5.932 0.000 1.593) 6.143 6.942 ( 3.118 0.000 -2.493) 3.992 7.004 ( -8.864 0.000 2.034) 9.095 7.636 ( 8.266 0.000 1.122) 8.342 7.647 ( 19.172 0.000 3.084) 19.418 7.968 ( 1.661 0.000 0.687) 1.798 8.093 ( -3.617 0.000 -4.915) 6.103 8.509 ( 9.907 0.000 1.228) 9.983 8.666 ( 12.147 0.000 -3.317) 12.592 9.185 ( 12.098 0.000 1.463) 12.186 9.194 ( 12.468 0.000 4.002) 13.095 9.206 ( 6.890 0.000 6.788) 9.672 9.312 ( 16.304 0.000 -2.543) 16.502 9.795 ( -6.047 0.000 0.715) 6.089 9.807 ( -8.914 0.000 0.225) 8.917 10.250 ( 20.668 0.000 3.085) 20.897 10.317 ( 20.000 0.000 2.960) 20.218 10.481 ( 12.922 0.000 -6.977) 14.685 10.482 ( 17.360 0.000 -3.586) 17.726 11.412 ( -21.863 0.000 1.619) 21.923 11.464 ( -19.911 0.000 -3.883) 20.286 11.573 ( -20.784 0.000 1.029) 20.809 11.622 ( -21.054 0.000 0.360) 21.057 11.907 ( 1.578 0.000 -1.884) 2.458 12.135 ( -1.262 0.000 1.503) 1.963 12.201 ( -1.809 0.000 0.450) 1.864 12.239 ( -4.760 0.000 2.715) 5.480 12.642 ( -19.440 0.000 1.305) 19.484 12.790 ( -15.933 0.000 -3.768) 16.373 12.855 ( -19.247 0.000 1.627) 19.315 12.928 ( -20.991 0.000 0.186) 20.992 13.885 ( 12.728 0.000 0.277) 12.731 13.918 ( 12.276 0.000 0.582) 12.290 14.477 ( -12.845 0.000 -0.299) 12.849 14.524 ( -15.582 0.000 -0.291) 15.585 17.166 ( 26.455 0.000 1.371) 26.491 17.378 ( 21.256 0.000 -0.908) 21.275 18.080 ( -20.073 0.000 -0.427) 20.077 18.141 ( -17.407 0.000 -0.195) 17.408 19.283 ( 36.012 0.000 0.711) 36.019 19.469 ( 33.404 0.000 1.939) 33.461 20.612 ( -26.908 0.000 0.252) 26.909 20.730 ( -25.350 0.000 -0.466) 25.354 22.455 ( 7.369 0.000 -0.255) 7.373 22.517 ( 8.080 0.000 -1.787) 8.275 22.709 ( -1.794 0.000 -0.825) 1.974 22.871 ( -1.944 0.000 1.912) 2.727 27.773 ( 2.278 0.000 -0.143) 2.283 27.776 ( 2.236 0.000 0.029) 2.236 27.966 ( -4.996 0.000 0.026) 4.996 27.994 ( -5.362 0.000 -0.174) 5.365 29.752 ( 14.530 0.000 1.151) 14.576 29.761 ( 12.447 0.000 1.427) 12.528 30.026 ( 2.921 0.000 -1.391) 3.236 30.154 ( -2.514 0.000 -1.183) 2.779 30.285 ( 15.451 0.000 -0.118) 15.452 30.680 ( 10.767 0.000 -1.002) 10.814 30.790 ( 1.947 0.000 1.742) 2.613 30.900 ( 4.495 0.000 -11.898) 12.719 30.979 ( -2.380 0.000 2.160) 3.214 31.154 ( 2.827 0.000 8.782) 9.226 31.442 ( -10.909 0.000 0.382) 10.915 31.469 ( -9.739 0.000 -0.146) 9.740 31.852 ( 3.054 0.000 -0.549) 3.103 32.020 ( -4.892 0.000 -0.024) 4.892 32.109 ( -7.567 0.000 0.538) 7.586 32.328 ( -17.196 0.000 -0.966) 17.223 ======================= Grid point 5 (6/96) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 0.000 0.000 0.000) 0.000 1.498 ( 0.000 0.000 -0.000) 0.000 1.647 ( 0.000 0.000 0.000) 0.000 1.666 ( -0.000 0.000 -0.000) 0.000 1.741 ( 0.000 0.000 0.000) 0.000 2.024 ( 0.000 0.000 0.000) 0.000 2.061 ( 0.000 0.000 -0.000) 0.000 2.211 ( 0.000 0.000 -0.000) 0.000 2.215 ( 0.000 0.000 -0.000) 0.000 2.382 ( 0.000 0.000 -0.000) 0.000 2.439 ( 0.000 0.000 0.000) 0.000 2.616 ( 0.000 0.000 0.000) 0.000 2.656 ( 0.000 0.000 -0.000) 0.000 2.831 ( 0.000 0.000 0.000) 0.000 2.910 ( 0.000 0.000 -0.000) 0.000 2.949 ( -0.000 0.000 0.000) 0.000 3.228 ( 0.000 0.000 -0.000) 0.000 3.335 ( 0.000 0.000 -0.000) 0.000 3.465 ( 0.000 0.000 -0.000) 0.000 3.516 ( -0.000 0.000 -0.000) 0.000 3.643 ( 0.000 0.000 -0.000) 0.000 3.902 ( 0.000 0.000 0.000) 0.000 3.930 ( 0.000 0.000 0.000) 0.000 3.963 ( 0.000 0.000 -0.000) 0.000 4.176 ( 0.000 0.000 0.000) 0.000 4.504 ( 0.000 0.000 -0.000) 0.000 4.638 ( 0.000 0.000 0.000) 0.000 4.998 ( 0.000 0.000 -0.000) 0.000 5.096 ( 0.000 0.000 -0.000) 0.000 5.203 ( 0.000 0.000 -0.000) 0.000 5.329 ( 0.000 0.000 -0.000) 0.000 5.370 ( -0.000 0.000 -0.000) 0.000 5.388 ( 0.000 0.000 0.000) 0.000 5.791 ( 0.000 0.000 -0.000) 0.000 5.954 ( 0.000 0.000 -0.000) 0.000 5.954 ( -0.000 0.000 -0.000) 0.000 6.195 ( 0.000 0.000 -0.000) 0.000 6.195 ( -0.000 0.000 0.000) 0.000 6.415 ( -0.000 0.000 0.000) 0.000 6.422 ( 0.000 0.000 0.000) 0.000 6.840 ( 0.000 0.000 -0.000) 0.000 6.900 ( -0.000 0.000 -0.000) 0.000 6.927 ( 0.000 0.000 0.000) 0.000 6.934 ( 0.000 0.000 0.000) 0.000 7.713 ( 0.000 0.000 -0.000) 0.000 7.912 ( 0.000 0.000 -0.000) 0.000 7.992 ( 0.000 0.000 0.000) 0.000 8.000 ( 0.000 0.000 0.000) 0.000 8.609 ( -0.000 0.000 0.000) 0.000 8.790 ( 0.000 0.000 -0.000) 0.000 9.283 ( 0.000 0.000 0.000) 0.000 9.285 ( -0.000 0.000 -0.000) 0.000 9.416 ( 0.000 0.000 -0.000) 0.000 9.551 ( -0.000 0.000 0.000) 0.000 9.671 ( 0.000 0.000 -0.000) 0.000 9.688 ( 0.000 0.000 -0.000) 0.000 10.695 ( 0.000 0.000 -0.000) 0.000 10.730 ( 0.000 0.000 0.000) 0.000 10.737 ( 0.000 0.000 0.000) 0.000 10.780 ( 0.000 0.000 -0.000) 0.000 10.946 ( -0.000 0.000 -0.000) 0.000 11.054 ( -0.000 0.000 -0.000) 0.000 11.145 ( 0.000 0.000 0.000) 0.000 11.196 ( -0.000 0.000 0.000) 0.000 12.119 ( 0.000 0.000 -0.000) 0.000 12.203 ( 0.000 0.000 0.000) 0.000 12.231 ( 0.000 0.000 -0.000) 0.000 12.263 ( 0.000 0.000 0.000) 0.000 12.331 ( -0.000 0.000 -0.000) 0.000 12.538 ( 0.000 0.000 -0.000) 0.000 12.625 ( 0.000 0.000 0.000) 0.000 12.672 ( 0.000 0.000 0.000) 0.000 14.163 ( -0.000 0.000 -0.000) 0.000 14.172 ( -0.000 0.000 0.000) 0.000 14.227 ( 0.000 0.000 -0.000) 0.000 14.229 ( 0.000 0.000 -0.000) 0.000 17.651 ( -0.000 0.000 -0.000) 0.000 17.661 ( 0.000 0.000 0.000) 0.000 17.776 ( -0.000 0.000 -0.000) 0.000 17.781 ( 0.000 0.000 0.000) 0.000 19.990 ( -0.000 0.000 -0.000) 0.000 20.000 ( 0.000 0.000 0.000) 0.000 20.089 ( 0.000 0.000 0.000) 0.000 20.196 ( -0.000 0.000 0.000) 0.000 22.607 ( -0.000 0.000 -0.000) 0.000 22.613 ( 0.000 0.000 0.000) 0.000 22.627 ( 0.000 0.000 -0.000) 0.000 22.821 ( -0.000 0.000 0.000) 0.000 27.811 ( 0.000 0.000 -0.000) 0.000 27.813 ( 0.000 0.000 -0.000) 0.000 27.899 ( 0.000 0.000 0.000) 0.000 27.924 ( -0.000 0.000 -0.000) 0.000 29.958 ( 0.000 0.000 0.000) 0.000 29.972 ( 0.000 0.000 0.000) 0.000 29.972 ( -0.000 0.000 -0.000) 0.000 30.059 ( -0.000 0.000 -0.000) 0.000 30.494 ( 0.000 0.000 -0.000) 0.000 30.783 ( 0.000 0.000 0.000) 0.000 30.790 ( 0.000 0.000 0.000) 0.000 30.964 ( 0.000 0.000 0.000) 0.000 31.001 ( 0.000 0.000 -0.000) 0.000 31.188 ( 0.000 0.000 0.000) 0.000 31.294 ( 0.000 0.000 0.000) 0.000 31.336 ( 0.000 0.000 -0.000) 0.000 31.976 ( 0.000 0.000 -0.000) 0.000 31.990 ( 0.000 0.000 -0.000) 0.000 32.019 ( -0.000 0.000 0.000) 0.000 32.045 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 11 (7/96) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.462 ( 0.000 24.815 0.000) 24.815 0.563 ( 0.000 29.869 0.000) 29.869 0.912 ( 0.000 41.983 0.000) 41.983 1.324 ( 0.000 -13.122 0.000) 13.122 1.522 ( 0.000 -18.426 0.000) 18.426 1.666 ( 0.000 -2.241 0.000) 2.241 1.683 ( 0.000 6.010 0.000) 6.010 1.963 ( 0.000 1.241 0.000) 1.241 2.017 ( 0.000 -1.097 0.000) 1.097 2.119 ( 0.000 10.896 0.000) 10.896 2.159 ( 0.000 -0.819 0.000) 0.819 2.520 ( 0.000 3.372 0.000) 3.372 2.562 ( 0.000 -3.298 0.000) 3.298 2.566 ( 0.000 -15.625 0.000) 15.625 2.673 ( 0.000 -5.695 0.000) 5.695 2.732 ( 0.000 -5.350 0.000) 5.350 3.012 ( 0.000 10.639 0.000) 10.639 3.293 ( 0.000 -3.009 0.000) 3.009 3.399 ( 0.000 -2.348 0.000) 2.348 3.445 ( 0.000 -0.804 0.000) 0.804 3.552 ( 0.000 3.509 0.000) 3.509 3.690 ( 0.000 -4.828 0.000) 4.828 3.929 ( 0.000 2.138 0.000) 2.138 4.021 ( 0.000 2.090 0.000) 2.090 4.132 ( 0.000 0.230 0.000) 0.230 4.409 ( 0.000 -15.278 0.000) 15.278 4.599 ( 0.000 2.073 0.000) 2.073 4.697 ( 0.000 -2.077 0.000) 2.077 4.733 ( 0.000 4.921 0.000) 4.921 4.947 ( 0.000 -4.021 0.000) 4.021 4.996 ( 0.000 8.745 0.000) 8.745 5.168 ( 0.000 -1.103 0.000) 1.103 5.450 ( 0.000 4.230 0.000) 4.230 5.638 ( 0.000 -3.218 0.000) 3.218 5.783 ( 0.000 -0.053 0.000) 0.053 5.867 ( 0.000 -2.730 0.000) 2.730 5.923 ( 0.000 3.092 0.000) 3.092 5.985 ( 0.000 -2.147 0.000) 2.147 6.062 ( 0.000 3.454 0.000) 3.454 6.090 ( 0.000 -0.135 0.000) 0.135 6.155 ( 0.000 -1.999 0.000) 1.999 6.191 ( 0.000 1.063 0.000) 1.063 6.862 ( 0.000 6.164 0.000) 6.164 6.972 ( 0.000 0.158 0.000) 0.158 7.400 ( 0.000 6.182 0.000) 6.182 7.479 ( 0.000 -2.184 0.000) 2.184 7.480 ( 0.000 -2.318 0.000) 2.318 7.707 ( 0.000 -6.125 0.000) 6.125 8.102 ( 0.000 2.930 0.000) 2.930 8.248 ( 0.000 -2.566 0.000) 2.566 8.411 ( 0.000 5.093 0.000) 5.093 8.633 ( 0.000 -4.896 0.000) 4.896 8.800 ( 0.000 6.125 0.000) 6.125 9.121 ( 0.000 -7.574 0.000) 7.574 9.521 ( 0.000 0.787 0.000) 0.787 9.537 ( 0.000 -0.100 0.000) 0.100 9.666 ( 0.000 1.338 0.000) 1.338 9.714 ( 0.000 -0.797 0.000) 0.797 10.610 ( 0.000 0.562 0.000) 0.562 10.629 ( 0.000 -0.275 0.000) 0.275 11.364 ( 0.000 0.418 0.000) 0.418 11.386 ( 0.000 -0.531 0.000) 0.531 11.856 ( 0.000 1.963 0.000) 1.963 11.957 ( 0.000 -2.451 0.000) 2.451 12.403 ( 0.000 0.683 0.000) 0.683 12.410 ( 0.000 0.328 0.000) 0.328 12.906 ( 0.000 0.022 0.000) 0.022 12.910 ( 0.000 -0.108 0.000) 0.108 13.869 ( 0.000 2.143 0.000) 2.143 13.952 ( 0.000 -1.144 0.000) 1.144 14.068 ( 0.000 -0.331 0.000) 0.331 14.077 ( 0.000 -0.980 0.000) 0.980 14.704 ( 0.000 1.061 0.000) 1.061 14.746 ( 0.000 -0.742 0.000) 0.742 14.962 ( 0.000 0.523 0.000) 0.523 14.984 ( 0.000 -0.387 0.000) 0.387 15.383 ( 0.000 0.849 0.000) 0.849 15.427 ( 0.000 -1.011 0.000) 1.011 17.069 ( 0.000 2.094 0.000) 2.094 17.172 ( 0.000 -2.317 0.000) 2.317 19.870 ( 0.000 0.693 0.000) 0.693 19.905 ( 0.000 -0.834 0.000) 0.834 21.532 ( 0.000 0.135 0.000) 0.135 21.539 ( 0.000 -0.164 0.000) 0.164 21.956 ( 0.000 0.460 0.000) 0.460 21.980 ( 0.000 -0.544 0.000) 0.544 22.175 ( 0.000 3.695 0.000) 3.695 22.338 ( 0.000 -3.304 0.000) 3.304 27.730 ( 0.000 0.054 0.000) 0.054 27.733 ( 0.000 -0.056 0.000) 0.056 28.299 ( 0.000 0.008 0.000) 0.008 28.299 ( 0.000 -0.001 0.000) 0.001 28.326 ( 0.000 0.018 0.000) 0.018 28.327 ( 0.000 -0.016 0.000) 0.016 28.815 ( 0.000 0.861 0.000) 0.861 28.857 ( 0.000 -0.979 0.000) 0.979 29.917 ( 0.000 2.316 0.000) 2.316 30.020 ( 0.000 -2.099 0.000) 2.099 30.466 ( 0.000 0.735 0.000) 0.735 30.508 ( 0.000 -1.060 0.000) 1.060 31.038 ( 0.000 0.011 0.000) 0.011 31.041 ( 0.000 -0.096 0.000) 0.096 32.023 ( 0.000 1.681 0.000) 1.681 32.067 ( 0.000 -0.306 0.000) 0.306 32.556 ( 0.000 2.992 0.000) 2.992 32.766 ( 0.000 -6.456 0.000) 6.456 33.543 ( 0.000 6.023 0.000) 6.023 33.755 ( 0.000 -3.580 0.000) 3.580 ======================= Grid point 12 (8/96) ======================= q-point: ( 0.10 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( 21.790 15.189 -1.751) 26.619 0.881 ( 22.514 16.852 -3.704) 28.365 1.334 ( 19.364 2.142 1.156) 19.516 1.401 ( 17.237 7.440 0.496) 18.780 1.598 ( 3.957 -4.008 -0.881) 5.701 1.689 ( 5.593 3.875 -0.127) 6.806 1.764 ( 3.530 -2.083 2.870) 5.004 1.922 ( -0.653 -1.934 -1.740) 2.682 1.949 ( -3.237 -4.891 -2.777) 6.490 2.183 ( 4.709 6.913 -0.300) 8.370 2.196 ( 2.677 1.810 -1.060) 3.401 2.533 ( 2.130 -5.239 -1.758) 5.922 2.544 ( 0.371 0.896 4.203) 4.313 2.668 ( 1.980 -1.656 3.581) 4.414 2.785 ( 12.969 -8.470 1.106) 15.529 2.938 ( 9.873 -4.445 -0.587) 10.843 3.010 ( 1.029 1.734 0.848) 2.188 3.190 ( -10.515 6.697 -5.941) 13.810 3.350 ( 0.643 2.097 1.478) 2.645 3.402 ( 0.583 -8.842 0.004) 8.861 3.577 ( 1.932 3.051 1.107) 3.777 3.676 ( -1.057 -4.760 -1.256) 5.035 3.969 ( 1.358 1.784 1.542) 2.721 4.082 ( 2.526 -0.640 5.158) 5.779 4.106 ( -0.557 -0.616 6.447) 6.501 4.454 ( 2.977 -14.999 4.167) 15.849 4.628 ( 8.180 3.545 -6.315) 10.925 4.692 ( 3.782 -0.120 -4.450) 5.841 4.768 ( 1.313 5.073 0.394) 5.255 4.954 ( -1.924 4.981 -0.747) 5.391 5.179 ( 6.887 -7.189 -11.179) 14.969 5.212 ( 5.575 -4.000 -5.150) 8.579 5.487 ( 3.506 3.894 -0.439) 5.258 5.631 ( -0.073 -0.030 0.904) 0.908 5.759 ( -2.664 -4.187 1.719) 5.252 5.863 ( 0.796 -4.785 1.105) 4.975 5.951 ( -0.214 5.516 -6.448) 8.488 6.018 ( 2.597 0.476 6.881) 7.370 6.099 ( 4.481 -0.355 6.834) 8.180 6.113 ( 3.943 2.966 1.476) 5.150 6.183 ( 3.430 -1.292 -0.535) 3.704 6.309 ( 9.104 -5.261 5.177) 11.720 6.839 ( -1.769 12.182 0.843) 12.338 6.856 ( -3.604 9.982 0.613) 10.630 7.370 ( -8.168 -3.223 -3.253) 9.364 7.522 ( 4.298 -6.193 -0.326) 7.546 7.606 ( 6.937 -1.340 -1.341) 7.192 7.714 ( 4.500 -4.500 -2.339) 6.780 8.134 ( -0.937 5.384 0.957) 5.548 8.247 ( 0.649 -1.585 4.056) 4.403 8.408 ( 1.363 4.890 -4.232) 6.609 8.601 ( 3.382 -3.115 -2.171) 5.085 8.859 ( 4.951 4.432 3.242) 7.393 9.105 ( -1.291 -6.127 4.452) 7.682 9.572 ( 5.304 0.957 -0.769) 5.445 9.580 ( 4.985 0.746 0.811) 5.105 9.717 ( 3.518 0.043 0.084) 3.519 9.725 ( 1.484 -0.107 -0.408) 1.543 10.561 ( -4.479 -0.198 -0.732) 4.543 10.570 ( -5.400 -0.202 -1.165) 5.528 11.340 ( -0.893 0.175 1.243) 1.540 11.365 ( -0.953 -0.677 1.275) 1.729 11.841 ( -0.211 1.431 -2.994) 3.325 11.929 ( -1.727 -2.066 -2.585) 3.733 12.550 ( 12.188 0.528 0.802) 12.226 12.569 ( 13.240 0.070 1.505) 13.325 12.704 ( -7.798 6.468 1.404) 10.228 13.053 ( -5.961 -13.321 6.555) 15.998 13.697 ( -12.647 7.794 3.864) 15.350 13.812 ( -14.413 -0.340 -0.371) 14.422 13.855 ( -15.930 1.811 -1.925) 16.147 14.069 ( -21.831 -7.847 -6.888) 24.199 14.693 ( -12.662 0.779 0.407) 12.692 14.731 ( -13.423 -0.939 -0.591) 13.468 15.017 ( 6.852 0.794 0.060) 6.898 15.201 ( 11.001 -11.442 -2.287) 16.036 15.406 ( 15.830 -3.033 -0.882) 16.142 15.432 ( 14.712 -3.510 -2.797) 15.382 17.296 ( 22.218 5.559 -1.066) 22.928 17.543 ( 23.544 -8.995 11.786) 27.823 19.554 ( -25.579 2.478 1.671) 25.753 19.580 ( -23.681 0.032 -0.599) 23.688 21.517 ( -2.992 0.736 0.498) 3.122 21.546 ( -1.641 -0.657 -0.047) 1.768 22.062 ( 8.916 3.949 0.440) 9.762 22.148 ( 11.382 0.785 -8.087) 13.984 22.250 ( 12.130 1.488 7.042) 14.105 22.324 ( -0.068 -1.772 -0.390) 1.815 27.726 ( -0.261 0.071 -0.063) 0.278 27.730 ( -0.142 -0.129 -0.024) 0.193 28.289 ( -3.240 0.377 -0.295) 3.275 28.300 ( -2.626 -0.151 -0.384) 2.658 28.570 ( 24.674 3.849 -0.495) 24.978 28.895 ( 8.223 0.368 0.175) 8.233 28.939 ( 8.572 -1.455 -0.272) 8.698 29.095 ( 39.215 -31.753 0.317) 50.459 29.956 ( 3.699 2.485 -1.037) 4.575 30.104 ( 6.167 -6.733 -0.746) 9.161 30.487 ( 2.443 1.143 -7.576) 8.042 30.609 ( 8.073 -10.191 11.395) 17.288 31.029 ( -0.828 -0.059 -0.490) 0.964 31.032 ( -0.752 -0.424 -5.496) 5.563 31.979 ( -4.302 1.444 1.453) 4.765 32.019 ( -4.644 -0.339 1.266) 4.826 32.499 ( -5.693 2.715 0.875) 6.368 32.646 ( -11.546 -0.898 -4.148) 12.301 33.083 ( -35.519 31.088 3.384) 47.324 33.390 ( -13.871 1.654 -0.565) 13.981 ======================= Grid point 13 (9/96) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 22.771 4.983 2.850) 23.484 1.301 ( 15.818 5.098 -2.914) 16.873 1.484 ( 5.326 -4.708 2.114) 7.416 1.566 ( 1.835 -3.419 0.454) 3.907 1.736 ( 1.608 -1.153 1.300) 2.367 1.786 ( 2.233 2.602 -2.012) 3.975 1.903 ( 0.311 -6.548 1.277) 6.678 1.984 ( 5.026 -4.652 -2.199) 7.193 2.075 ( 19.069 12.984 3.378) 23.316 2.220 ( 1.027 2.746 1.269) 3.195 2.278 ( 4.020 4.583 -3.480) 7.020 2.549 ( -0.975 4.601 4.409) 6.446 2.585 ( 1.965 -4.866 -1.126) 5.368 2.679 ( 4.177 -2.940 3.455) 6.166 2.878 ( -3.494 3.161 -0.389) 4.728 3.042 ( -2.391 5.036 -4.523) 7.178 3.130 ( 3.653 -3.955 4.346) 6.919 3.180 ( 7.776 1.803 -4.396) 9.113 3.346 ( -0.537 -8.248 3.500) 8.976 3.432 ( 5.147 -1.303 -2.113) 5.714 3.573 ( -2.114 1.566 4.922) 5.581 3.624 ( -3.053 -5.297 -0.877) 6.176 3.922 ( -0.801 2.386 1.394) 2.877 4.058 ( -5.052 -2.496 1.723) 5.892 4.282 ( 17.196 -0.170 -1.785) 17.289 4.541 ( 6.915 -11.632 -0.268) 13.535 4.708 ( -4.097 7.720 -2.690) 9.144 4.843 ( 3.033 2.232 -3.427) 5.092 4.988 ( 12.149 2.624 0.804) 12.455 5.025 ( 19.495 -1.634 -2.735) 19.754 5.250 ( 2.411 -2.374 -4.047) 5.276 5.291 ( 1.643 -3.832 -6.026) 7.328 5.536 ( 0.059 2.501 0.422) 2.537 5.629 ( -2.847 5.265 -2.654) 6.547 5.707 ( 0.269 -5.911 0.320) 5.926 5.896 ( -1.339 -1.251 -5.600) 5.892 5.939 ( 3.048 2.104 1.926) 4.175 6.056 ( 1.150 0.446 3.020) 3.263 6.220 ( 6.473 -5.877 6.583) 10.944 6.273 ( 9.363 -2.401 0.647) 9.687 6.335 ( 13.763 4.647 4.816) 15.304 6.538 ( 12.789 -5.661 2.199) 14.158 6.715 ( -6.186 11.246 -0.686) 12.853 6.911 ( 5.410 12.567 1.811) 13.801 7.223 ( -4.316 -7.473 -2.573) 9.005 7.461 ( -5.515 -6.294 1.136) 8.445 7.852 ( 13.188 1.090 0.179) 13.234 7.900 ( 12.647 -2.320 -1.428) 12.937 8.115 ( 1.951 4.913 -3.113) 6.134 8.218 ( -2.591 0.067 -0.460) 2.632 8.549 ( 11.341 3.879 0.247) 11.989 8.738 ( 8.464 -4.056 -2.655) 9.754 8.971 ( 5.389 2.483 4.373) 7.371 9.094 ( 0.505 -3.222 6.068) 6.889 9.711 ( 8.047 0.459 -3.451) 8.767 9.727 ( 8.617 0.273 -0.774) 8.656 9.785 ( 4.594 0.504 1.886) 4.992 9.820 ( 6.820 -0.528 4.767) 8.338 10.423 ( -7.792 -0.189 -2.571) 8.208 10.428 ( -8.284 -0.286 -1.990) 8.524 11.388 ( 6.050 -0.447 2.253) 6.472 11.399 ( 4.870 -0.731 2.246) 5.412 11.838 ( -0.827 0.618 -5.199) 5.301 11.893 ( -2.165 -1.457 -4.482) 5.186 12.463 ( -14.817 5.557 3.066) 16.119 12.771 ( -13.546 -8.312 6.029) 16.998 12.836 ( 6.208 -0.585 0.099) 6.236 12.850 ( 8.611 -0.447 1.610) 8.771 13.360 ( -18.659 4.889 2.606) 19.464 13.405 ( -23.191 0.125 -1.380) 23.232 13.436 ( -21.604 1.860 -0.471) 21.689 13.579 ( -22.393 -2.855 -4.018) 22.929 14.285 ( -24.512 0.957 0.206) 24.532 14.315 ( -24.671 -0.393 0.197) 24.675 14.962 ( -9.074 1.972 0.039) 9.286 15.075 ( -11.098 -2.691 -0.152) 11.420 15.903 ( 33.392 1.925 0.985) 33.462 16.164 ( 35.716 -12.235 -4.927) 38.074 17.864 ( 31.397 5.619 0.202) 31.897 18.055 ( 26.579 -3.348 7.809) 27.904 19.025 ( -24.788 1.276 0.513) 24.826 19.070 ( -23.660 -0.789 -0.218) 23.674 21.386 ( -10.088 1.061 0.524) 10.157 21.435 ( -9.382 -1.101 -0.162) 9.447 22.194 ( 5.607 -0.820 -0.736) 5.714 22.268 ( 1.406 -2.646 1.412) 3.312 22.484 ( 13.965 5.612 -3.778) 15.517 22.594 ( 15.607 -0.739 2.153) 15.772 27.724 ( 0.196 0.093 -0.123) 0.249 27.729 ( 0.167 -0.133 -0.028) 0.215 28.199 ( -5.220 0.614 -0.321) 5.266 28.222 ( -4.845 -0.383 -0.481) 4.884 29.121 ( 15.260 1.000 -0.147) 15.293 29.136 ( 19.738 2.455 0.398) 19.894 29.207 ( 23.802 3.507 0.411) 24.062 29.680 ( 21.263 -14.406 0.845) 25.698 30.053 ( 5.412 2.415 -1.172) 6.041 30.227 ( 6.147 -6.880 -1.706) 9.382 30.560 ( 4.763 1.363 -3.450) 6.037 30.768 ( 6.039 -15.639 2.681) 16.978 31.006 ( -1.025 0.119 -2.431) 2.641 31.015 ( -0.592 -0.277 -0.515) 0.832 31.854 ( -7.736 0.883 2.079) 8.059 31.883 ( -8.579 -0.215 1.923) 8.794 32.294 ( -14.294 11.679 -0.797) 18.476 32.378 ( -11.050 2.837 -1.000) 11.452 32.609 ( -15.312 12.930 1.966) 20.137 33.043 ( -18.732 -4.038 -1.124) 19.195 ======================= Grid point 14 (10/96) ======================= q-point: ( 0.30 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 0.593 0.314 1.847) 1.965 1.488 ( 1.318 -2.835 1.058) 3.300 1.612 ( 1.189 0.539 -0.118) 1.311 1.667 ( 10.418 -0.480 1.434) 10.527 1.724 ( 0.262 -3.192 0.623) 3.263 1.905 ( 5.460 -4.104 -0.025) 6.831 2.012 ( 9.654 0.545 -0.596) 9.687 2.037 ( 0.271 0.396 -0.937) 1.053 2.214 ( 2.114 -0.380 -0.266) 2.165 2.279 ( 5.083 -0.682 1.767) 5.425 2.324 ( -2.450 2.933 2.811) 4.744 2.531 ( -2.276 -0.866 -0.567) 2.501 2.639 ( 4.530 4.532 0.858) 6.465 2.833 ( 8.237 0.784 3.454) 8.966 2.945 ( -3.099 1.455 -1.048) 3.581 2.961 ( 10.755 1.337 -2.952) 11.233 3.095 ( -5.459 -0.112 7.507) 9.283 3.204 ( -6.453 -2.758 2.580) 7.477 3.247 ( -1.532 4.530 0.605) 4.820 3.504 ( 0.733 -4.378 -1.987) 4.863 3.630 ( 4.725 -3.051 3.693) 6.729 3.674 ( 7.434 0.947 4.489) 8.736 3.892 ( -5.043 0.707 -0.611) 5.129 3.996 ( 0.759 0.415 -2.083) 2.256 4.554 ( -7.398 7.681 -2.121) 10.873 4.667 ( 10.882 2.844 -3.276) 11.715 4.741 ( 9.761 -3.329 -3.592) 10.920 4.866 ( 6.135 -6.541 -5.824) 10.693 5.172 ( -1.267 -1.118 -4.281) 4.602 5.193 ( -3.461 -1.389 -7.957) 8.788 5.282 ( -1.414 -2.323 -2.179) 3.485 5.353 ( 3.444 -2.046 -1.200) 4.181 5.532 ( 3.363 4.051 -1.572) 5.495 5.636 ( 3.143 0.439 0.256) 3.184 5.732 ( 5.815 0.177 -1.351) 5.973 5.879 ( 0.745 1.218 -2.602) 2.968 5.951 ( -1.610 0.633 5.354) 5.626 6.122 ( 4.872 0.261 2.097) 5.311 6.330 ( 2.608 -2.961 4.230) 5.784 6.475 ( 9.956 -3.207 3.200) 10.939 6.547 ( -0.239 1.117 -1.919) 2.233 6.677 ( 6.890 -2.957 1.796) 7.710 6.836 ( 10.866 8.644 0.624) 13.899 7.088 ( 8.917 1.921 1.380) 9.226 7.256 ( 10.192 -3.305 0.828) 10.747 7.426 ( 5.743 -2.264 2.217) 6.559 7.983 ( 2.024 3.784 -1.087) 4.427 8.135 ( 0.639 -2.652 -0.942) 2.886 8.248 ( 13.910 2.660 -2.280) 14.345 8.330 ( 16.466 -0.260 -2.514) 16.659 8.835 ( 16.427 2.364 2.279) 16.752 8.938 ( 12.064 -2.328 -2.253) 12.492 9.078 ( 5.162 1.235 4.498) 6.958 9.136 ( 3.407 -1.542 6.329) 7.351 9.848 ( 2.511 -0.098 -1.418) 2.886 9.871 ( 4.035 -0.767 -1.690) 4.442 9.952 ( 11.596 1.606 4.890) 12.686 10.006 ( 11.157 -0.740 6.137) 12.755 10.288 ( -1.045 0.746 -4.505) 4.684 10.322 ( 0.278 -0.719 -6.062) 6.111 11.557 ( 9.609 -0.244 1.920) 9.802 11.567 ( 9.782 -0.716 2.505) 10.123 11.760 ( -8.387 0.111 -5.508) 10.034 11.790 ( -9.964 -0.382 -4.354) 10.880 12.146 ( -13.460 3.772 2.902) 14.276 12.370 ( -19.084 -6.193 5.021) 20.683 12.608 ( -29.307 0.213 -0.291) 29.309 12.622 ( -28.274 -0.450 -0.422) 28.281 13.032 ( -17.194 2.720 1.145) 17.445 13.101 ( -14.770 -1.022 -2.336) 14.989 13.207 ( -4.135 1.506 1.818) 4.762 13.252 ( -7.475 -0.540 -0.375) 7.504 13.841 ( -11.913 0.104 0.050) 11.914 13.848 ( -14.627 -0.157 0.190) 14.629 14.742 ( -11.829 1.603 -0.170) 11.938 14.816 ( -13.832 -1.539 -0.248) 13.919 16.592 ( 32.152 3.002 1.244) 32.316 16.818 ( 28.472 -7.384 -2.203) 29.496 18.429 ( 1.640 0.908 0.732) 2.012 18.449 ( -5.647 -0.111 1.563) 5.860 18.672 ( 12.062 4.525 0.115) 12.884 18.836 ( 17.494 -2.662 2.078) 17.817 21.094 ( -18.599 1.325 0.427) 18.651 21.158 ( -17.767 -1.414 -0.246) 17.825 22.317 ( 5.895 -1.159 -0.965) 6.085 22.337 ( 6.394 -1.438 0.830) 6.606 22.703 ( 6.507 4.077 -2.210) 7.991 22.820 ( 6.061 -1.540 1.334) 6.394 27.737 ( 1.174 0.075 -0.141) 1.185 27.741 ( 1.091 -0.086 -0.016) 1.094 28.085 ( -5.812 0.607 -0.154) 5.846 28.109 ( -5.940 -0.464 -0.327) 5.967 29.437 ( 16.065 0.612 0.846) 16.099 29.466 ( 15.436 -0.586 1.030) 15.481 29.768 ( 24.462 5.924 -0.345) 25.171 30.020 ( 11.616 -3.654 0.753) 12.201 30.157 ( 4.414 2.459 -1.413) 5.246 30.381 ( 9.743 -7.413 -1.774) 12.370 30.678 ( 6.850 1.235 -0.171) 6.963 30.840 ( 1.447 -9.023 -12.050) 15.123 31.005 ( 0.048 -0.050 1.388) 1.389 31.021 ( 2.265 -1.931 8.283) 8.801 31.673 ( -9.811 0.298 1.308) 9.902 31.680 ( -10.968 0.220 1.310) 11.048 32.037 ( -9.707 10.781 -0.272) 14.509 32.167 ( -9.448 -0.207 0.345) 9.456 32.342 ( -11.584 5.985 0.210) 13.040 32.657 ( -18.559 -5.081 -1.258) 19.284 ======================= Grid point 15 (11/96) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -1.170 0.639 1.722) 2.178 1.488 ( -0.579 -2.110 0.992) 2.402 1.623 ( 0.795 0.956 -0.058) 1.245 1.673 ( -1.588 -3.054 0.517) 3.481 1.792 ( -0.915 1.106 -2.759) 3.110 1.985 ( 2.436 -4.376 1.098) 5.127 2.021 ( -0.527 0.058 1.883) 1.956 2.136 ( 2.289 -4.694 -1.208) 5.360 2.256 ( -2.473 1.347 0.748) 2.914 2.303 ( 2.684 -2.378 1.310) 3.818 2.403 ( 5.448 1.162 1.812) 5.858 2.517 ( 3.843 -5.280 -2.236) 6.902 2.724 ( 1.196 6.003 -1.742) 6.364 2.808 ( -1.209 5.160 -0.116) 5.301 2.928 ( -6.721 -0.188 4.939) 8.343 3.010 ( -4.062 -4.871 5.076) 8.123 3.165 ( 5.267 -0.591 -5.546) 7.671 3.206 ( 10.286 -1.481 2.092) 10.600 3.352 ( 10.496 3.017 4.688) 11.885 3.515 ( 1.187 -2.466 -1.848) 3.302 3.716 ( 2.496 0.431 7.495) 7.911 3.784 ( 0.462 -2.904 0.507) 2.984 3.846 ( 4.119 5.137 4.422) 7.932 3.989 ( -2.570 0.941 -3.094) 4.131 4.389 ( -4.063 13.688 -1.011) 14.314 4.706 ( -5.317 -1.586 -9.515) 11.015 4.784 ( -7.548 4.861 -5.831) 10.706 5.054 ( -4.015 -0.433 -5.129) 6.528 5.058 ( -0.328 -5.049 2.776) 5.771 5.104 ( 5.180 -4.544 -3.092) 7.552 5.252 ( 0.385 -0.305 -1.561) 1.636 5.353 ( 0.360 0.280 -1.131) 1.220 5.544 ( -6.049 1.013 -0.011) 6.133 5.683 ( 2.334 -5.053 -1.989) 5.911 5.917 ( 4.282 -0.719 -0.839) 4.422 5.942 ( 4.776 0.541 -3.585) 5.996 5.981 ( 7.971 2.710 2.125) 8.683 6.210 ( 1.651 -5.562 4.993) 7.654 6.363 ( 3.290 6.447 -1.150) 7.328 6.489 ( -4.036 -0.633 -0.622) 4.133 6.675 ( 7.859 -3.260 5.512) 10.138 6.751 ( 1.124 -10.145 -2.152) 10.432 6.970 ( 3.554 7.232 0.707) 8.089 7.105 ( -2.597 2.085 1.306) 3.577 7.603 ( 14.182 -0.458 1.971) 14.326 7.649 ( 11.810 -1.179 4.072) 12.548 8.020 ( 2.032 4.595 -1.518) 5.249 8.109 ( -1.662 0.918 -4.447) 4.835 8.526 ( 10.341 1.912 0.498) 10.528 8.640 ( 11.273 -2.695 -2.695) 11.900 9.193 ( 6.933 0.386 4.487) 8.268 9.201 ( 14.680 0.640 2.815) 14.961 9.210 ( 10.007 0.857 4.105) 10.850 9.290 ( 16.023 -2.156 -2.007) 16.292 9.793 ( -6.258 -0.188 0.732) 6.303 9.801 ( -8.254 -0.559 0.356) 8.281 10.266 ( 20.334 1.541 3.423) 20.678 10.313 ( 19.939 -0.489 3.387) 20.231 10.478 ( 14.574 -0.117 -6.342) 15.894 10.483 ( 15.783 -0.089 -5.062) 16.575 11.423 ( -21.435 1.152 0.628) 21.475 11.463 ( -20.370 -0.267 -2.756) 20.557 11.578 ( -20.568 0.622 0.968) 20.601 11.614 ( -20.682 -0.882 0.508) 20.707 11.921 ( 0.779 1.833 -1.290) 2.373 12.085 ( -1.451 -5.006 1.504) 5.425 12.203 ( -2.285 0.202 0.648) 2.383 12.225 ( -4.425 -1.025 1.789) 4.882 12.674 ( -18.463 2.761 0.779) 18.684 12.764 ( -16.397 -2.059 -2.073) 16.655 12.882 ( -19.421 1.936 0.425) 19.522 12.925 ( -20.758 -0.403 0.338) 20.764 13.890 ( 12.711 0.509 0.341) 12.726 13.913 ( 12.383 -0.478 0.550) 12.404 14.485 ( -13.222 0.813 -0.334) 13.252 14.518 ( -15.158 -0.589 -0.329) 15.173 17.189 ( 26.117 2.425 1.140) 26.254 17.336 ( 22.583 -4.044 -0.433) 22.946 18.088 ( -19.745 0.857 -0.405) 19.768 18.131 ( -17.864 -1.000 -0.243) 17.893 19.320 ( 35.259 3.579 0.654) 35.446 19.450 ( 33.524 -2.118 1.578) 33.628 20.630 ( -26.608 1.813 0.151) 26.670 20.713 ( -25.506 -1.747 -0.364) 25.569 22.454 ( 7.555 0.045 -0.160) 7.557 22.495 ( 7.982 -1.837 -0.512) 8.207 22.745 ( -1.829 3.269 -1.172) 3.925 22.854 ( -2.007 -1.776 1.131) 2.909 27.773 ( 2.276 0.060 -0.121) 2.280 27.776 ( 2.246 -0.052 0.001) 2.247 27.971 ( -5.067 0.459 0.002) 5.088 27.991 ( -5.324 -0.398 -0.141) 5.341 29.753 ( 14.229 0.131 1.246) 14.285 29.760 ( 12.774 -0.135 1.453) 12.857 30.047 ( 1.751 2.131 -1.215) 3.014 30.135 ( -1.425 -1.831 -0.932) 2.501 30.329 ( 14.388 4.601 -0.761) 15.125 30.601 ( 9.498 -7.390 -1.432) 12.120 30.816 ( 5.091 1.997 0.345) 5.479 30.885 ( 5.711 -1.459 -8.960) 10.726 30.990 ( -1.578 1.162 2.399) 3.097 31.093 ( 3.294 -4.741 7.117) 9.164 31.451 ( -10.773 0.642 0.296) 10.796 31.467 ( -9.911 -0.225 -0.096) 9.914 31.924 ( -0.646 5.640 0.105) 5.678 32.016 ( -4.749 -0.496 0.122) 4.777 32.133 ( -8.530 2.978 0.092) 9.036 32.300 ( -15.817 -3.075 -0.884) 16.137 ======================= Grid point 16 (12/96) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 0.000 1.017 0.000) 1.017 1.480 ( 0.000 -1.785 -0.000) 1.785 1.645 ( 0.000 -1.509 -0.000) 1.509 1.651 ( -0.000 -1.570 0.000) 1.570 1.756 ( 0.000 3.728 0.000) 3.728 2.003 ( 0.000 -6.232 -0.000) 6.232 2.026 ( 0.000 0.564 0.000) 0.564 2.148 ( 0.000 -5.662 -0.000) 5.662 2.231 ( 0.000 1.508 -0.000) 1.508 2.316 ( 0.000 -4.092 -0.000) 4.092 2.470 ( 0.000 3.079 -0.000) 3.079 2.591 ( 0.000 -2.359 -0.000) 2.359 2.692 ( 0.000 2.424 -0.000) 2.424 2.807 ( 0.000 -2.956 -0.000) 2.956 2.902 ( 0.000 0.027 0.000) 0.027 2.933 ( -0.000 -0.968 0.000) 0.968 3.210 ( 0.000 0.114 -0.000) 0.114 3.325 ( 0.000 -1.629 -0.000) 1.629 3.498 ( 0.000 3.014 -0.000) 3.014 3.540 ( 0.000 0.786 0.000) 0.786 3.755 ( 0.000 0.758 -0.000) 0.758 3.810 ( 0.000 1.764 0.000) 1.764 3.849 ( -0.000 -4.423 -0.000) 4.423 3.968 ( 0.000 1.948 -0.000) 1.948 4.435 ( 0.000 17.981 -0.000) 17.981 4.534 ( 0.000 3.114 -0.000) 3.114 4.649 ( 0.000 1.446 0.000) 1.446 4.977 ( 0.000 -3.661 -0.000) 3.661 5.086 ( 0.000 -0.244 -0.000) 0.244 5.176 ( 0.000 -2.522 -0.000) 2.522 5.280 ( 0.000 -2.288 -0.000) 2.288 5.375 ( -0.000 -0.510 0.000) 0.510 5.452 ( 0.000 4.338 0.000) 4.338 5.679 ( 0.000 -9.860 -0.000) 9.860 5.961 ( 0.000 0.961 0.000) 0.961 5.994 ( 0.000 3.901 -0.000) 3.901 6.131 ( 0.000 -6.126 -0.000) 6.126 6.177 ( -0.000 -2.231 0.000) 2.231 6.411 ( 0.000 0.321 -0.000) 0.321 6.451 ( 0.000 1.318 0.000) 1.318 6.753 ( 0.000 -3.441 -0.000) 3.441 6.759 ( 0.000 -5.638 0.000) 5.638 7.026 ( -0.000 4.303 0.000) 4.303 7.056 ( 0.000 3.905 -0.000) 3.905 7.716 ( 0.000 0.981 -0.000) 0.981 7.814 ( 0.000 -5.301 0.000) 5.301 8.054 ( 0.000 4.468 -0.000) 4.468 8.075 ( 0.000 4.296 0.000) 4.296 8.633 ( 0.000 2.262 0.000) 2.262 8.753 ( 0.000 -3.482 -0.000) 3.482 9.288 ( 0.111 0.270 -0.042) 0.295 9.288 ( -0.111 0.389 0.042) 0.406 9.428 ( 0.000 1.400 0.000) 1.400 9.520 ( -0.000 -2.856 0.000) 2.856 9.677 ( 0.000 0.379 -0.000) 0.379 9.685 ( 0.000 -0.218 0.000) 0.218 10.692 ( 0.000 -0.213 -0.000) 0.213 10.706 ( 0.000 -1.181 -0.000) 1.181 10.765 ( 0.000 1.487 0.000) 1.487 10.785 ( 0.000 0.304 -0.000) 0.304 10.966 ( -0.000 2.085 -0.000) 2.085 11.044 ( -0.000 -1.155 -0.000) 1.155 11.152 ( 0.000 0.736 0.000) 0.736 11.188 ( -0.000 -0.813 0.000) 0.813 12.106 ( 0.000 -0.980 -0.000) 0.980 12.153 ( 0.000 -3.908 0.000) 3.908 12.230 ( 0.000 0.000 0.000) 0.000 12.242 ( 0.000 -0.761 -0.000) 0.761 12.397 ( -0.000 4.449 -0.000) 4.449 12.513 ( 0.000 -2.132 -0.000) 2.132 12.646 ( 0.000 1.533 -0.000) 1.533 12.672 ( 0.000 -0.042 0.000) 0.042 14.163 ( -0.000 0.022 -0.000) 0.022 14.168 ( -0.000 -0.304 0.000) 0.304 14.230 ( 0.000 0.323 -0.000) 0.323 14.233 ( 0.000 0.305 -0.000) 0.305 17.667 ( -0.000 1.670 -0.000) 1.670 17.675 ( 0.000 1.494 0.000) 1.494 17.756 ( -0.000 -1.996 -0.000) 1.996 17.758 ( 0.000 -2.240 0.000) 2.240 20.008 ( -0.000 1.791 -0.000) 1.791 20.032 ( 0.000 3.215 0.000) 3.215 20.078 ( 0.000 -1.209 0.000) 1.209 20.170 ( -0.000 -2.699 0.000) 2.699 22.579 ( -0.000 -1.162 -0.000) 1.162 22.596 ( 0.000 -1.091 -0.000) 1.091 22.687 ( 0.000 3.851 0.000) 3.851 22.803 ( 0.000 -1.880 -0.000) 1.880 27.811 ( 0.000 0.043 -0.000) 0.043 27.813 ( 0.000 -0.031 -0.000) 0.031 27.903 ( 0.000 0.395 0.000) 0.395 27.921 ( -0.000 -0.360 -0.000) 0.360 29.960 ( 0.000 0.259 0.000) 0.259 29.970 ( 0.000 -0.175 0.000) 0.175 29.984 ( -0.000 1.262 -0.000) 1.262 30.045 ( -0.000 -1.344 -0.000) 1.344 30.520 ( 0.000 2.768 -0.000) 2.768 30.692 ( 0.000 -5.544 0.000) 5.544 30.869 ( 0.000 4.497 0.000) 4.497 30.981 ( -0.000 1.718 0.000) 1.718 30.990 ( 0.000 -1.257 -0.000) 1.257 31.126 ( 0.000 -5.454 0.000) 5.454 31.310 ( 0.000 1.058 0.000) 1.058 31.333 ( 0.000 -0.282 -0.000) 0.282 31.978 ( 0.000 0.238 -0.000) 0.238 32.001 ( -0.000 -1.115 -0.000) 1.115 32.018 ( 0.000 2.525 -0.000) 2.525 32.062 ( -0.000 0.817 -0.000) 0.817 ======================= Grid point 22 (13/96) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 0.000 -21.940 0.000) 21.940 0.898 ( 0.000 21.940 0.000) 21.940 1.079 ( 0.000 -25.717 0.000) 25.717 1.079 ( 0.000 25.717 0.000) 25.717 1.573 ( 0.000 -11.149 0.000) 11.149 1.573 ( 0.000 11.149 0.000) 11.149 1.950 ( 0.000 -22.376 0.000) 22.376 1.950 ( 0.000 22.376 0.000) 22.376 1.994 ( 0.000 -0.159 0.000) 0.159 1.994 ( 0.000 0.159 0.000) 0.159 2.284 ( 0.000 -8.672 0.000) 8.672 2.284 ( 0.000 8.672 0.000) 8.672 2.557 ( 0.000 -4.852 0.000) 4.852 2.557 ( 0.000 4.852 0.000) 4.852 2.623 ( 0.000 -5.759 0.000) 5.759 2.623 ( 0.000 5.759 0.000) 5.759 3.185 ( 0.000 -7.808 0.000) 7.808 3.185 ( 0.000 7.808 0.000) 7.808 3.416 ( 0.000 -2.322 0.000) 2.322 3.416 ( 0.000 2.322 0.000) 2.322 3.605 ( 0.000 -3.457 0.000) 3.457 3.605 ( 0.000 3.457 0.000) 3.457 4.042 ( 0.000 -3.447 0.000) 3.447 4.042 ( 0.000 3.447 0.000) 3.447 4.154 ( 0.000 -7.768 0.000) 7.768 4.154 ( 0.000 7.768 0.000) 7.768 4.649 ( 0.000 -2.998 0.000) 2.998 4.649 ( 0.000 2.998 0.000) 2.998 4.846 ( 0.000 -6.469 0.000) 6.469 4.846 ( 0.000 6.469 0.000) 6.469 5.118 ( 0.000 -4.559 0.000) 4.559 5.118 ( 0.000 4.559 0.000) 4.559 5.549 ( 0.000 -5.861 0.000) 5.861 5.549 ( 0.000 5.861 0.000) 5.861 5.812 ( 0.000 -2.809 0.000) 2.809 5.812 ( 0.000 2.809 0.000) 2.809 5.952 ( 0.000 -1.120 0.000) 1.120 5.952 ( 0.000 1.120 0.000) 1.120 6.106 ( 0.000 -0.987 0.000) 0.987 6.106 ( 0.000 0.987 0.000) 0.987 6.162 ( 0.000 -3.544 0.000) 3.544 6.162 ( 0.000 3.544 0.000) 3.544 6.955 ( 0.000 -2.855 0.000) 2.855 6.955 ( 0.000 2.855 0.000) 2.855 7.451 ( 0.000 -0.198 0.000) 0.198 7.451 ( 0.000 0.198 0.000) 0.198 7.556 ( 0.000 -9.401 0.000) 9.401 7.556 ( 0.000 9.401 0.000) 9.401 8.176 ( 0.000 -4.647 0.000) 4.647 8.176 ( 0.000 4.647 0.000) 4.647 8.524 ( 0.000 -6.579 0.000) 6.579 8.524 ( 0.000 6.579 0.000) 6.579 8.953 ( 0.000 -9.744 0.000) 9.744 8.953 ( 0.000 9.744 0.000) 9.744 9.532 ( 0.000 -0.405 0.000) 0.405 9.532 ( 0.000 0.405 0.000) 0.405 9.693 ( 0.000 -1.442 0.000) 1.442 9.693 ( 0.000 1.442 0.000) 1.442 10.621 ( 0.000 -0.578 0.000) 0.578 10.621 ( 0.000 0.578 0.000) 0.578 11.374 ( 0.000 -0.662 0.000) 0.662 11.374 ( 0.000 0.662 0.000) 0.662 11.904 ( 0.000 -3.045 0.000) 3.045 11.904 ( 0.000 3.045 0.000) 3.045 12.412 ( 0.000 -0.188 0.000) 0.188 12.412 ( 0.000 0.188 0.000) 0.188 12.907 ( 0.000 -0.111 0.000) 0.111 12.907 ( 0.000 0.111 0.000) 0.111 13.916 ( 0.000 -2.626 0.000) 2.626 13.916 ( 0.000 2.626 0.000) 2.626 14.065 ( 0.000 -0.148 0.000) 0.148 14.065 ( 0.000 0.148 0.000) 0.148 14.727 ( 0.000 -1.275 0.000) 1.275 14.727 ( 0.000 1.275 0.000) 1.275 14.974 ( 0.000 -0.670 0.000) 0.670 14.974 ( 0.000 0.670 0.000) 0.670 15.404 ( 0.000 -1.325 0.000) 1.325 15.404 ( 0.000 1.325 0.000) 1.325 17.119 ( 0.000 -3.114 0.000) 3.114 17.119 ( 0.000 3.114 0.000) 3.114 19.887 ( 0.000 -1.071 0.000) 1.071 19.887 ( 0.000 1.071 0.000) 1.071 21.536 ( 0.000 -0.210 0.000) 0.210 21.536 ( 0.000 0.210 0.000) 0.210 21.968 ( 0.000 -0.740 0.000) 0.740 21.968 ( 0.000 0.740 0.000) 0.740 22.259 ( 0.000 -4.904 0.000) 4.904 22.259 ( 0.000 4.904 0.000) 4.904 27.731 ( 0.000 -0.077 0.000) 0.077 27.731 ( 0.000 0.077 0.000) 0.077 28.299 ( 0.000 -0.006 0.000) 0.006 28.299 ( 0.000 0.006 0.000) 0.006 28.327 ( 0.000 -0.024 0.000) 0.024 28.327 ( 0.000 0.024 0.000) 0.024 28.835 ( 0.000 -1.292 0.000) 1.292 28.835 ( 0.000 1.292 0.000) 1.292 29.970 ( 0.000 -3.123 0.000) 3.123 29.970 ( 0.000 3.123 0.000) 3.123 30.485 ( 0.000 -1.245 0.000) 1.245 30.485 ( 0.000 1.245 0.000) 1.245 31.039 ( 0.000 -0.079 0.000) 0.079 31.039 ( 0.000 0.079 0.000) 0.079 32.053 ( 0.000 -1.288 0.000) 1.288 32.053 ( 0.000 1.288 0.000) 1.288 32.641 ( 0.000 -6.206 0.000) 6.206 32.641 ( 0.000 6.206 0.000) 6.206 33.663 ( 0.000 -6.216 0.000) 6.216 33.663 ( 0.000 6.216 0.000) 6.216 ======================= Grid point 24 (14/96) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 13.575 -14.590 -2.626) 20.101 1.058 ( 13.575 14.590 -2.626) 20.101 1.257 ( 11.539 -16.736 -1.473) 20.381 1.257 ( 11.539 16.736 -1.473) 20.381 1.687 ( 7.719 -3.203 -0.017) 8.357 1.687 ( 7.719 3.203 -0.017) 8.357 1.890 ( -4.316 -1.874 -3.999) 6.175 1.890 ( -4.316 1.874 -3.999) 6.175 2.084 ( 10.115 -19.418 4.825) 22.420 2.084 ( 10.115 19.418 4.825) 22.420 2.315 ( 3.835 -10.243 -1.650) 11.061 2.315 ( 3.835 10.243 -1.650) 11.061 2.584 ( 0.903 -5.733 3.296) 6.674 2.584 ( 0.903 5.733 3.296) 6.674 2.789 ( 14.044 -7.464 1.403) 15.966 2.789 ( 14.044 7.464 1.403) 15.966 3.164 ( -4.546 -9.938 -3.644) 11.520 3.164 ( -4.546 9.938 -3.644) 11.520 3.345 ( -2.717 -3.009 -1.707) 4.399 3.345 ( -2.717 3.009 -1.707) 4.399 3.614 ( 1.188 -1.745 1.877) 2.825 3.614 ( 1.188 1.745 1.877) 2.825 4.034 ( -1.657 -3.751 -1.473) 4.357 4.034 ( -1.657 3.751 -1.473) 4.357 4.202 ( 3.499 -10.732 10.505) 15.420 4.202 ( 3.499 10.732 10.505) 15.420 4.677 ( 7.555 -1.722 -4.893) 9.164 4.677 ( 7.555 1.722 -4.893) 9.164 4.892 ( 0.934 -7.697 -2.265) 8.077 4.892 ( 0.934 7.697 -2.265) 8.077 5.162 ( 4.380 -3.074 -4.198) 6.802 5.162 ( 4.380 3.074 -4.198) 6.802 5.576 ( 2.427 -5.079 0.569) 5.658 5.576 ( 2.427 5.079 0.569) 5.658 5.770 ( -2.424 -4.198 -1.446) 5.059 5.770 ( -2.424 4.198 -1.446) 5.059 6.010 ( 2.968 -1.578 6.068) 6.937 6.010 ( 2.968 1.578 6.068) 6.937 6.133 ( 1.198 -3.649 -6.136) 7.239 6.133 ( 1.198 3.649 -6.136) 7.239 6.207 ( 6.819 -5.588 6.361) 10.871 6.207 ( 6.819 5.588 6.361) 10.871 6.966 ( -0.085 -0.865 0.952) 1.289 6.966 ( -0.085 0.865 0.952) 1.289 7.386 ( -6.236 -6.215 -1.516) 8.934 7.386 ( -6.236 6.215 -1.516) 8.934 7.633 ( 8.527 -3.679 -2.292) 9.566 7.633 ( 8.527 3.679 -2.292) 9.566 8.209 ( 1.110 -2.899 2.157) 3.780 8.209 ( 1.110 2.899 2.157) 3.780 8.514 ( 1.724 -5.851 -3.411) 6.988 8.514 ( 1.724 5.851 -3.411) 6.988 8.971 ( 1.884 -7.457 4.269) 8.797 8.971 ( 1.884 7.457 4.269) 8.797 9.584 ( 5.046 -0.271 -0.087) 5.054 9.584 ( 5.046 0.271 -0.087) 5.054 9.721 ( 2.484 -0.317 0.346) 2.528 9.721 ( 2.484 0.317 0.346) 2.528 10.564 ( -5.177 -0.388 -1.156) 5.319 10.564 ( -5.177 0.388 -1.156) 5.319 11.350 ( -1.154 -0.804 1.378) 1.969 11.350 ( -1.154 0.804 1.378) 1.969 11.882 ( -1.050 -2.715 -2.767) 4.016 11.882 ( -1.050 2.715 -2.767) 4.016 12.563 ( 12.567 -0.674 0.968) 12.622 12.563 ( 12.567 0.674 0.968) 12.622 12.847 ( -6.855 -9.195 2.865) 11.822 12.847 ( -6.855 9.195 2.865) 11.822 13.793 ( -13.537 -2.391 0.556) 13.758 13.793 ( -13.537 2.391 0.556) 13.758 13.927 ( -16.012 -6.509 -2.107) 17.413 13.927 ( -16.012 6.509 -2.107) 17.413 14.711 ( -12.048 -1.123 0.197) 12.102 14.711 ( -12.048 1.123 0.197) 12.102 15.055 ( 11.678 -4.038 -0.396) 12.363 15.055 ( 11.678 4.038 -0.396) 12.363 15.400 ( 8.524 -1.199 -0.522) 8.623 15.400 ( 8.524 1.199 -0.522) 8.623 17.405 ( 23.903 -6.428 2.018) 24.835 17.405 ( 23.903 6.428 2.018) 24.835 19.577 ( -24.793 -0.454 0.697) 24.807 19.577 ( -24.793 0.454 0.697) 24.807 21.532 ( -2.304 -0.859 0.249) 2.471 21.532 ( -2.304 0.859 0.249) 2.471 22.127 ( 9.375 -2.747 -1.710) 9.918 22.127 ( 9.375 2.747 -1.710) 9.918 22.285 ( 6.765 -2.178 1.514) 7.266 22.285 ( 6.765 2.178 1.514) 7.266 27.728 ( -0.210 -0.119 -0.036) 0.244 27.728 ( -0.210 0.119 -0.036) 0.244 28.296 ( -2.920 -0.326 -0.343) 2.958 28.296 ( -2.920 0.326 -0.343) 2.958 28.701 ( 31.860 -11.533 -0.698) 33.890 28.701 ( 31.860 11.533 -0.698) 33.890 28.921 ( 8.546 -1.299 0.641) 8.668 28.921 ( 8.546 1.299 0.641) 8.668 30.015 ( 4.096 -3.829 -0.493) 5.629 30.015 ( 4.096 3.829 -0.493) 5.629 30.519 ( 3.192 -2.501 -0.101) 4.056 30.519 ( 3.192 2.501 -0.101) 4.056 31.029 ( -0.870 -0.050 -1.095) 1.400 31.029 ( -0.870 0.050 -1.095) 1.400 32.005 ( -4.616 -1.205 1.464) 4.991 32.005 ( -4.616 1.205 1.464) 4.991 32.569 ( -6.913 -4.799 -0.357) 8.423 32.569 ( -6.913 4.799 -0.357) 8.423 33.375 ( -23.127 -5.193 -0.166) 23.704 33.375 ( -23.127 5.193 -0.166) 23.704 ======================= Grid point 26 (15/96) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 13.275 -7.410 2.627) 15.429 1.373 ( 13.275 7.410 2.627) 15.429 1.432 ( 7.513 -9.181 -0.824) 11.892 1.432 ( 7.513 9.181 -0.824) 11.892 1.767 ( -0.509 -5.747 -0.196) 5.773 1.767 ( -0.509 5.747 -0.196) 5.773 1.883 ( 5.832 -5.872 -3.502) 8.986 1.883 ( 5.832 5.872 -3.502) 8.986 2.230 ( 1.651 -2.335 0.934) 3.008 2.230 ( 1.651 2.335 0.934) 3.008 2.440 ( 4.173 -10.939 0.973) 11.748 2.440 ( 4.173 10.939 0.973) 11.748 2.615 ( 4.030 -3.437 4.991) 7.277 2.615 ( 4.030 3.437 4.991) 7.277 3.034 ( -1.960 -9.265 0.184) 9.471 3.034 ( -1.960 9.265 0.184) 9.471 3.105 ( 8.694 -4.313 -1.663) 9.846 3.105 ( 8.694 4.313 -1.663) 9.846 3.347 ( 2.869 -7.090 -4.808) 9.034 3.347 ( 2.869 7.090 -4.808) 9.034 3.580 ( -3.696 -0.740 5.044) 6.297 3.580 ( -3.696 0.740 5.044) 6.297 3.986 ( -2.449 -4.413 -0.233) 5.052 3.986 ( -2.449 4.413 -0.233) 5.052 4.351 ( 12.922 -7.811 1.549) 15.178 4.351 ( 12.922 7.811 1.549) 15.178 4.838 ( -3.913 -4.861 -3.250) 7.036 4.838 ( -3.913 4.861 -3.250) 7.036 4.997 ( 17.402 -2.149 -1.254) 17.579 4.997 ( 17.402 2.149 -1.254) 17.579 5.245 ( 3.177 -1.300 -4.065) 5.320 5.245 ( 3.177 1.300 -4.065) 5.320 5.593 ( -1.771 -4.061 -0.806) 4.503 5.593 ( -1.771 4.061 -0.806) 4.503 5.773 ( 2.628 -7.827 -2.366) 8.589 5.773 ( 2.628 7.827 -2.366) 8.589 6.031 ( -0.342 -3.982 3.982) 5.641 6.031 ( -0.342 3.982 3.982) 5.641 6.202 ( 6.721 -4.019 0.251) 7.835 6.202 ( 6.721 4.019 0.251) 7.835 6.434 ( 13.749 -5.651 4.085) 15.416 6.434 ( 13.749 5.651 4.085) 15.416 6.924 ( -2.797 -9.996 -0.010) 10.380 6.924 ( -2.797 9.996 -0.010) 10.380 7.280 ( -2.508 -11.841 -0.161) 12.105 7.280 ( -2.508 11.841 -0.161) 12.105 7.870 ( 13.408 -1.038 -1.140) 13.497 7.870 ( 13.408 1.038 -1.140) 13.497 8.194 ( -0.763 -3.019 -1.234) 3.350 8.194 ( -0.763 3.019 -1.234) 3.350 8.643 ( 9.819 -5.760 -1.840) 11.531 8.643 ( 9.819 5.760 -1.840) 11.531 9.027 ( 3.254 -3.602 5.477) 7.319 9.027 ( 3.254 3.602 5.477) 7.319 9.723 ( 7.873 -0.658 -2.847) 8.398 9.723 ( 7.873 0.658 -2.847) 8.398 9.803 ( 5.947 -1.201 4.340) 7.460 9.803 ( 5.947 1.201 4.340) 7.460 10.423 ( -7.956 -0.202 -2.496) 8.341 10.423 ( -7.956 0.202 -2.496) 8.341 11.387 ( 5.356 -0.415 2.413) 5.889 11.387 ( 5.356 0.415 2.413) 5.889 11.861 ( -1.537 -1.756 -4.950) 5.472 11.861 ( -1.537 1.756 -4.950) 5.472 12.600 ( -15.597 -8.929 4.313) 18.483 12.600 ( -15.597 8.929 4.313) 18.483 12.841 ( 9.290 -0.528 0.820) 9.341 12.841 ( 9.290 0.528 0.820) 9.341 13.404 ( -21.803 -0.527 -0.121) 21.809 13.404 ( -21.803 0.527 -0.121) 21.809 13.506 ( -21.330 -4.774 -1.284) 21.895 13.506 ( -21.330 4.774 -1.284) 21.895 14.303 ( -24.677 -0.910 0.152) 24.694 14.303 ( -24.677 0.910 0.152) 24.694 15.014 ( -9.589 -3.496 -0.035) 10.207 15.014 ( -9.589 3.496 -0.035) 10.207 15.978 ( 36.229 -6.940 -0.823) 36.897 15.978 ( 36.229 6.940 -0.823) 36.897 17.971 ( 29.829 -5.536 2.388) 30.432 17.971 ( 29.829 5.536 2.388) 30.432 19.050 ( -24.531 -1.290 0.260) 24.566 19.050 ( -24.531 1.290 0.260) 24.566 21.411 ( -9.778 -1.448 0.191) 9.886 21.411 ( -9.778 1.448 0.191) 9.886 22.214 ( 3.278 -2.636 1.120) 4.353 22.214 ( 3.278 2.636 1.120) 4.353 22.563 ( 14.364 -2.877 -1.249) 14.703 22.563 ( 14.364 2.877 -1.249) 14.703 27.726 ( 0.190 -0.152 -0.071) 0.253 27.726 ( 0.190 0.152 -0.071) 0.253 28.212 ( -5.047 -0.678 -0.403) 5.108 28.212 ( -5.047 0.678 -0.403) 5.108 29.140 ( 14.146 -0.945 0.347) 14.182 29.140 ( 14.146 0.945 0.347) 14.182 29.385 ( 30.276 -14.653 0.245) 33.637 29.385 ( 30.276 14.653 0.245) 33.637 30.117 ( 5.492 -4.598 -1.200) 7.262 30.117 ( 5.492 4.598 -1.200) 7.262 30.606 ( 5.123 -4.286 -1.159) 6.780 30.606 ( 5.123 4.286 -1.159) 6.780 31.010 ( -0.728 -0.285 -0.617) 0.996 31.010 ( -0.728 0.285 -0.617) 0.996 31.872 ( -8.271 -0.889 2.059) 8.570 31.872 ( -8.271 0.889 2.059) 8.570 32.376 ( -11.211 -2.233 -0.115) 11.432 32.376 ( -11.211 2.233 -0.115) 11.432 32.899 ( -21.432 -12.598 -0.559) 24.867 32.899 ( -21.432 12.598 -0.559) 24.867 ======================= Grid point 28 (16/96) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 0.351 -0.944 1.423) 1.744 1.453 ( 0.351 0.944 1.423) 1.744 1.624 ( 3.613 -2.032 0.679) 4.201 1.624 ( 3.613 2.032 0.679) 4.201 1.790 ( 4.710 -7.033 1.798) 8.654 1.790 ( 4.710 7.033 1.798) 8.654 2.028 ( 5.161 -1.045 -3.117) 6.119 2.028 ( 5.161 1.045 -3.117) 6.119 2.244 ( 2.362 -2.629 0.259) 3.544 2.244 ( 2.362 2.629 0.259) 3.544 2.412 ( -3.484 -6.600 2.175) 7.774 2.412 ( -3.484 6.600 2.175) 7.774 2.784 ( 9.497 -5.657 4.389) 11.894 2.784 ( 9.497 5.657 4.389) 11.894 2.970 ( -2.882 -0.898 -6.600) 7.258 2.970 ( -2.882 0.898 -6.600) 7.258 3.134 ( -3.274 -4.032 7.263) 8.929 3.134 ( -3.274 4.032 7.263) 8.929 3.373 ( -0.534 -8.347 -1.775) 8.550 3.373 ( -0.534 8.347 -1.775) 8.550 3.651 ( 8.046 -3.231 4.515) 9.775 3.651 ( 8.046 3.231 4.515) 9.775 3.948 ( -0.750 -4.467 -1.157) 4.675 3.948 ( -0.750 4.467 -1.157) 4.675 4.676 ( 12.000 -4.251 -1.126) 12.780 4.676 ( 12.000 4.251 -1.126) 12.780 4.733 ( -1.465 -5.681 -5.082) 7.762 4.733 ( -1.465 5.681 -5.082) 7.762 5.179 ( -2.335 -1.514 -4.115) 4.968 5.179 ( -2.335 1.514 -4.115) 4.968 5.289 ( 0.687 -3.589 -3.049) 4.759 5.289 ( 0.687 3.589 -3.049) 4.759 5.612 ( 4.842 -3.727 -3.814) 7.203 5.612 ( 4.842 3.727 -3.814) 7.203 5.797 ( 1.071 -6.454 -0.143) 6.544 5.797 ( 1.071 6.454 -0.143) 6.544 6.041 ( 1.417 -6.549 6.290) 9.191 6.041 ( 1.417 6.549 6.290) 9.191 6.382 ( 9.146 -5.944 0.177) 10.909 6.382 ( 9.146 5.944 0.177) 10.909 6.602 ( 0.019 -4.086 0.194) 4.091 6.602 ( 0.019 4.086 0.194) 4.091 7.000 ( 8.693 -8.309 2.138) 12.214 7.000 ( 8.693 8.309 2.138) 12.214 7.331 ( 9.906 -7.113 1.734) 12.318 7.331 ( 9.906 7.113 1.734) 12.318 8.063 ( 3.161 -4.582 -1.461) 5.755 8.063 ( 3.161 4.582 -1.461) 5.755 8.306 ( 13.378 -2.596 -2.401) 13.837 8.306 ( 13.378 2.596 -2.401) 13.837 8.886 ( 14.296 -3.018 -0.374) 14.616 8.886 ( 14.296 3.018 -0.374) 14.616 9.105 ( 4.308 -1.672 5.607) 7.266 9.105 ( 4.308 1.672 5.607) 7.266 9.855 ( 2.990 -0.812 -1.566) 3.471 9.855 ( 2.990 0.812 -1.566) 3.471 9.984 ( 11.538 -1.623 5.757) 12.997 9.984 ( 11.538 1.623 5.757) 12.997 10.305 ( -0.275 -1.038 -5.433) 5.538 10.305 ( -0.275 1.038 -5.433) 5.538 11.556 ( 9.904 -0.291 2.367) 10.187 11.556 ( 9.904 0.291 2.367) 10.187 11.773 ( -8.719 -1.154 -5.191) 10.213 11.773 ( -8.719 1.154 -5.191) 10.213 12.245 ( -16.535 -6.637 4.165) 18.297 12.245 ( -16.535 6.637 4.165) 18.297 12.614 ( -28.751 -0.402 -0.358) 28.756 12.614 ( -28.751 0.402 -0.358) 28.756 13.076 ( -17.140 -1.843 -1.324) 17.290 13.076 ( -17.141 1.843 -1.324) 17.290 13.235 ( -4.892 -1.357 1.493) 5.292 13.235 ( -4.892 1.357 1.493) 5.292 13.844 ( -13.454 -0.226 0.021) 13.456 13.844 ( -13.454 0.226 0.021) 13.456 14.780 ( -12.735 -2.260 -0.242) 12.936 14.780 ( -12.735 2.260 -0.242) 12.936 16.680 ( 31.415 -6.612 -0.071) 32.103 16.680 ( 31.415 6.612 -0.071) 32.103 18.443 ( -3.991 -0.563 0.928) 4.136 18.443 ( -3.991 0.563 0.928) 4.136 18.765 ( 16.494 -4.870 0.715) 17.213 18.765 ( 16.494 4.870 0.715) 17.213 21.126 ( -18.168 -1.916 0.075) 18.269 21.126 ( -18.168 1.916 0.075) 18.269 22.313 ( 6.393 -0.766 0.737) 6.481 22.313 ( 6.393 0.766 0.737) 6.481 22.775 ( 5.850 -3.364 -0.987) 6.820 22.775 ( 5.850 3.364 -0.987) 6.820 27.739 ( 1.139 -0.113 -0.078) 1.147 27.739 ( 1.139 0.113 -0.078) 1.147 28.098 ( -5.904 -0.749 -0.239) 5.956 28.098 ( -5.904 0.749 -0.239) 5.956 29.451 ( 15.716 -0.889 0.982) 15.772 29.451 ( 15.716 0.889 0.982) 15.772 29.908 ( 19.415 -8.107 0.394) 21.044 29.908 ( 19.415 8.107 0.394) 21.044 30.235 ( 6.804 -6.525 -2.029) 9.643 30.235 ( 6.804 6.525 -2.029) 9.643 30.720 ( 6.073 -3.795 -3.027) 7.774 30.720 ( 6.073 3.795 -3.027) 7.774 31.007 ( 0.455 -0.296 1.873) 1.951 31.007 ( 0.455 0.296 1.873) 1.951 31.679 ( -10.415 -0.255 1.324) 10.502 31.679 ( -10.415 0.255 1.324) 10.502 32.147 ( -10.198 -2.426 0.434) 10.492 32.147 ( -10.198 2.426 0.434) 10.492 32.514 ( -16.495 -10.157 -0.862) 19.391 32.514 ( -16.495 10.157 -0.862) 19.391 ======================= Grid point 30 (17/96) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -0.506 -1.764 1.665) 2.478 1.447 ( -0.506 1.764 1.665) 2.478 1.632 ( -0.618 -1.094 -0.319) 1.297 1.632 ( -0.618 1.094 -0.319) 1.297 1.867 ( 1.198 -6.338 0.002) 6.450 1.867 ( 1.198 6.338 0.002) 6.450 2.057 ( 0.019 -3.291 -0.369) 3.311 2.057 ( 0.019 3.291 -0.369) 3.311 2.281 ( -1.190 -1.033 0.653) 1.706 2.281 ( -1.190 1.033 0.653) 1.706 2.438 ( 6.506 -3.028 0.033) 7.177 2.438 ( 6.506 3.028 0.033) 7.177 2.822 ( -4.853 -3.835 -1.540) 6.374 2.822 ( -4.853 3.835 -1.540) 6.374 2.939 ( -1.849 -2.029 5.373) 6.033 2.939 ( -1.849 2.029 5.373) 6.033 3.177 ( 7.355 -1.535 -2.221) 7.835 3.177 ( 7.355 1.535 -2.221) 7.835 3.429 ( 6.197 -5.460 2.316) 8.578 3.429 ( 6.197 5.460 2.316) 8.578 3.741 ( 1.033 -3.262 4.431) 5.598 3.741 ( 1.033 3.262 4.431) 5.598 3.960 ( 0.660 -4.915 -0.094) 4.960 3.960 ( 0.660 4.915 -0.094) 4.960 4.614 ( -3.000 -9.310 -7.245) 12.172 4.614 ( -3.000 9.310 -7.245) 12.172 4.908 ( -1.511 -8.591 2.925) 9.200 4.908 ( -1.511 8.591 2.925) 9.200 5.056 ( -0.159 -1.147 -5.120) 5.249 5.056 ( -0.159 1.147 -5.120) 5.249 5.301 ( 0.836 -4.564 -1.523) 4.884 5.301 ( 0.836 4.564 -1.523) 4.884 5.598 ( -4.629 -4.645 -2.458) 7.003 5.598 ( -4.629 4.645 -2.458) 7.003 5.919 ( 7.475 -1.243 -3.965) 8.553 5.919 ( 7.475 1.243 -3.965) 8.553 6.084 ( 2.105 -7.048 6.259) 9.658 6.084 ( 2.105 7.048 6.259) 9.658 6.465 ( -1.602 -3.578 -1.261) 4.118 6.465 ( -1.602 3.578 -1.261) 4.118 6.644 ( 6.024 -0.972 1.440) 6.270 6.644 ( 6.024 0.972 1.440) 6.270 7.074 ( 0.132 -4.180 1.167) 4.342 7.074 ( 0.132 4.180 1.167) 4.342 7.622 ( 12.488 -1.615 3.505) 13.071 7.622 ( 12.488 1.615 3.505) 13.071 8.095 ( 1.253 -2.767 -3.419) 4.573 8.095 ( 1.253 2.767 -3.419) 4.573 8.578 ( 10.365 -3.557 -1.190) 11.023 8.578 ( 10.365 3.557 -1.190) 11.023 9.200 ( 8.457 -0.349 5.160) 9.913 9.200 ( 8.457 0.349 5.160) 9.913 9.245 ( 15.334 -2.447 -0.633) 15.540 9.245 ( 15.334 2.447 -0.633) 15.540 9.792 ( -7.051 -0.227 0.631) 7.083 9.792 ( -7.051 0.227 0.631) 7.083 10.296 ( 19.922 -1.426 3.784) 20.328 10.296 ( 19.922 1.426 3.784) 20.328 10.479 ( 15.249 -0.245 -6.120) 16.433 10.479 ( 15.249 0.245 -6.120) 16.433 11.448 ( -20.898 -1.340 -1.026) 20.966 11.448 ( -20.898 1.340 -1.026) 20.966 11.594 ( -20.293 -1.064 0.790) 20.336 11.594 ( -20.293 1.064 0.790) 20.336 11.984 ( -0.872 -4.979 0.282) 5.062 11.984 ( -0.872 4.979 0.282) 5.062 12.210 ( -3.324 -0.592 1.021) 3.527 12.210 ( -3.324 0.592 1.021) 3.527 12.723 ( -17.178 -2.407 -0.557) 17.354 12.723 ( -17.178 2.407 -0.557) 17.354 12.911 ( -20.173 -1.158 0.330) 20.209 12.911 ( -20.173 1.158 0.330) 20.209 13.902 ( 12.592 -0.714 0.461) 12.621 13.902 ( 12.592 0.714 0.461) 12.621 14.503 ( -14.167 -1.004 -0.368) 14.207 14.503 ( -14.167 1.004 -0.368) 14.207 17.253 ( 24.823 -4.417 0.470) 25.217 17.253 ( 24.823 4.417 0.470) 25.217 18.109 ( -18.869 -1.310 -0.337) 18.917 18.109 ( -18.869 1.310 -0.337) 18.917 19.393 ( 34.096 -3.895 0.911) 34.330 19.393 ( 34.096 3.895 0.911) 34.330 20.672 ( -25.986 -2.510 -0.106) 26.107 20.672 ( -25.986 2.510 -0.106) 26.107 22.465 ( 7.862 -1.245 0.184) 7.963 22.465 ( 7.862 1.245 0.184) 7.963 22.807 ( -2.017 -3.200 -0.420) 3.806 22.807 ( -2.017 3.200 -0.420) 3.806 27.774 ( 2.265 -0.079 -0.063) 2.267 27.774 ( 2.265 0.079 -0.063) 2.267 27.981 ( -5.212 -0.605 -0.066) 5.247 27.981 ( -5.212 0.605 -0.066) 5.247 29.757 ( 13.517 -0.205 1.407) 13.592 29.757 ( 13.517 0.205 1.407) 13.592 30.093 ( -0.158 -2.563 -0.908) 2.723 30.093 ( -0.158 2.563 -0.908) 2.723 30.449 ( 12.156 -8.145 -1.565) 14.716 30.449 ( 12.156 8.145 -1.565) 14.716 30.853 ( 6.771 -1.940 -3.306) 7.780 30.853 ( 6.771 1.940 -3.306) 7.780 31.024 ( 0.772 -2.691 3.901) 4.802 31.024 ( 0.772 2.691 3.901) 4.802 31.461 ( -10.325 -0.436 0.073) 10.335 31.461 ( -10.325 0.436 0.073) 10.335 31.996 ( -3.894 -2.048 0.460) 4.424 31.996 ( -3.894 2.048 0.460) 4.424 32.218 ( -12.153 -5.457 -0.619) 13.336 32.218 ( -12.153 5.457 -0.619) 13.336 ======================= Grid point 32 (18/96) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 0.000 -2.060 -0.000) 2.060 1.442 ( 0.000 2.060 -0.000) 2.060 1.625 ( 0.000 -0.411 -0.000) 0.411 1.625 ( 0.000 0.411 -0.000) 0.411 1.868 ( 0.000 -7.413 0.000) 7.413 1.868 ( 0.000 7.413 -0.000) 7.413 2.059 ( 0.000 -3.376 0.000) 3.376 2.059 ( 0.000 3.376 0.000) 3.376 2.263 ( 0.000 -2.064 -0.000) 2.064 2.263 ( 0.000 2.064 -0.000) 2.064 2.535 ( 0.000 -3.566 0.000) 3.566 2.535 ( 0.000 3.566 -0.000) 3.566 2.742 ( 0.000 -3.325 -0.000) 3.325 2.742 ( 0.000 3.325 -0.000) 3.325 2.916 ( 0.000 -1.022 0.000) 1.022 2.916 ( 0.000 1.022 0.000) 1.022 3.259 ( 0.000 -4.570 0.000) 4.570 3.259 ( 0.000 4.570 -0.000) 4.570 3.534 ( 0.000 -0.834 -0.000) 0.834 3.534 ( 0.000 0.834 0.000) 0.834 3.752 ( 0.000 -4.757 0.000) 4.757 3.752 ( 0.000 4.757 0.000) 4.757 3.951 ( 0.000 -4.898 0.000) 4.898 3.951 ( -0.000 4.898 -0.000) 4.898 4.590 ( 0.000 -1.519 -0.000) 1.519 4.590 ( 0.000 1.519 0.000) 1.519 4.810 ( 0.000 -14.216 0.000) 14.216 4.810 ( 0.000 14.216 -0.000) 14.216 5.113 ( 0.000 -3.309 -0.000) 3.309 5.113 ( 0.000 3.309 -0.000) 3.309 5.315 ( 0.000 -5.222 0.000) 5.222 5.315 ( 0.000 5.222 -0.000) 5.222 5.531 ( 0.000 -5.142 0.000) 5.142 5.531 ( 0.000 5.142 0.000) 5.142 6.001 ( 0.000 -3.626 0.000) 3.626 6.001 ( 0.000 3.626 -0.000) 3.626 6.109 ( 0.000 -4.645 -0.000) 4.645 6.109 ( 0.000 4.645 0.000) 4.645 6.436 ( 0.000 -2.014 -0.000) 2.014 6.436 ( 0.000 2.014 0.000) 2.014 6.724 ( 0.000 -0.464 0.000) 0.464 6.724 ( 0.000 0.464 -0.000) 0.464 7.069 ( 0.000 -1.227 -0.000) 1.227 7.069 ( 0.000 1.227 -0.000) 1.227 7.750 ( 0.000 -2.382 -0.000) 2.382 7.750 ( 0.000 2.382 -0.000) 2.382 8.111 ( 0.000 -0.765 -0.000) 0.765 8.111 ( 0.000 0.765 0.000) 0.765 8.685 ( 0.000 -3.441 0.000) 3.441 8.685 ( 0.000 3.441 -0.000) 3.441 9.291 ( -0.000 -0.046 -0.000) 0.046 9.291 ( 0.000 0.046 0.000) 0.046 9.466 ( -0.000 -2.663 0.000) 2.663 9.466 ( -0.000 2.663 0.000) 2.663 9.682 ( 0.000 -0.181 -0.000) 0.181 9.682 ( 0.000 0.181 -0.000) 0.181 10.692 ( 0.000 -0.328 -0.000) 0.328 10.692 ( 0.000 0.328 -0.000) 0.328 10.784 ( 0.000 -0.535 0.000) 0.535 10.784 ( 0.000 0.535 0.000) 0.535 11.011 ( -0.000 -2.377 -0.000) 2.377 11.011 ( -0.000 2.377 -0.000) 2.377 11.169 ( 0.000 -1.071 0.000) 1.071 11.169 ( -0.000 1.071 0.000) 1.071 12.103 ( 0.000 -1.157 -0.000) 1.157 12.103 ( 0.000 1.157 0.000) 1.157 12.233 ( 0.000 -0.284 0.000) 0.284 12.233 ( 0.000 0.284 0.000) 0.284 12.466 ( 0.000 -3.038 -0.000) 3.038 12.466 ( 0.000 3.038 -0.000) 3.038 12.667 ( -0.000 -0.648 0.000) 0.648 12.667 ( 0.000 0.648 0.000) 0.648 14.164 ( -0.000 -0.138 -0.000) 0.138 14.164 ( 0.000 0.138 0.000) 0.138 14.235 ( -0.000 -0.094 -0.000) 0.094 14.235 ( 0.000 0.094 -0.000) 0.094 17.707 ( -0.000 -1.136 -0.000) 1.136 17.707 ( 0.000 1.136 0.000) 1.136 17.715 ( 0.000 -0.840 0.000) 0.840 17.715 ( -0.000 0.840 -0.000) 0.840 20.046 ( -0.000 -2.087 -0.000) 2.087 20.046 ( 0.000 2.087 0.000) 2.087 20.105 ( 0.000 -4.160 0.000) 4.160 20.105 ( -0.000 4.160 0.000) 4.160 22.576 ( 0.000 -0.689 -0.000) 0.689 22.576 ( 0.000 0.689 -0.000) 0.689 22.755 ( 0.000 -3.319 0.000) 3.319 22.755 ( 0.000 3.319 -0.000) 3.319 27.812 ( 0.000 -0.051 -0.000) 0.051 27.812 ( 0.000 0.051 -0.000) 0.051 27.912 ( 0.000 -0.534 0.000) 0.534 27.912 ( -0.000 0.534 -0.000) 0.534 29.966 ( 0.000 -0.299 -0.000) 0.299 29.966 ( 0.000 0.299 0.000) 0.299 30.014 ( 0.000 -1.844 -0.000) 1.844 30.014 ( -0.000 1.844 -0.000) 1.844 30.593 ( 0.000 -4.943 -0.000) 4.943 30.593 ( 0.000 4.943 0.000) 4.943 30.948 ( 0.000 -3.580 -0.000) 3.580 30.948 ( 0.000 3.580 0.000) 3.580 31.030 ( 0.000 -4.058 -0.000) 4.058 31.030 ( 0.000 4.058 0.000) 4.058 31.325 ( 0.000 -0.611 0.000) 0.611 31.325 ( 0.000 0.611 -0.000) 0.611 31.986 ( 0.000 -0.613 -0.000) 0.613 31.986 ( 0.000 0.613 -0.000) 0.613 32.058 ( 0.000 -1.333 -0.000) 1.333 32.058 ( -0.000 1.333 -0.000) 1.333 ======================= Grid point 55 (19/96) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( -1.430 0.000 24.422) 24.464 0.649 ( -8.532 0.000 30.766) 31.927 0.713 ( 2.538 0.000 32.489) 32.588 1.555 ( -0.611 0.000 5.046) 5.083 1.581 ( 1.136 0.000 3.827) 3.992 1.795 ( 4.094 0.000 -6.347) 7.553 1.881 ( -5.313 0.000 6.797) 8.627 1.941 ( -5.851 0.000 -0.621) 5.883 1.968 ( 4.092 0.000 0.824) 4.174 2.044 ( 1.709 0.000 0.462) 1.770 2.122 ( -3.286 0.000 -2.553) 4.161 2.430 ( 2.628 0.000 -6.518) 7.028 2.515 ( -3.675 0.000 -2.807) 4.624 2.632 ( -1.517 0.000 -7.795) 7.942 2.793 ( 5.306 0.000 -2.119) 5.713 2.822 ( 0.572 0.000 2.802) 2.860 3.001 ( -5.219 0.000 -8.430) 9.915 3.010 ( 8.285 0.000 3.393) 8.953 3.353 ( 2.413 0.000 -2.410) 3.410 3.363 ( -3.858 0.000 -9.673) 10.414 3.455 ( 3.113 0.000 -0.511) 3.155 3.716 ( 3.584 0.000 -7.827) 8.609 3.762 ( 6.829 0.000 -13.504) 15.132 3.813 ( 0.239 0.000 -7.294) 7.298 4.293 ( 2.854 0.000 2.825) 4.015 4.300 ( -2.197 0.000 -12.465) 12.657 4.680 ( -3.954 0.000 -1.283) 4.157 4.718 ( 2.195 0.000 2.128) 3.057 4.813 ( -1.936 0.000 5.424) 5.759 4.891 ( -1.941 0.000 5.094) 5.451 5.083 ( -11.634 0.000 4.219) 12.376 5.293 ( -3.181 0.000 8.058) 8.663 5.443 ( -0.444 0.000 3.154) 3.185 5.628 ( 1.993 0.000 -3.922) 4.399 5.709 ( -2.226 0.000 -4.923) 5.403 5.806 ( 3.137 0.000 -8.114) 8.699 5.928 ( 1.622 0.000 -3.615) 3.962 5.977 ( -0.019 0.000 3.426) 3.426 6.138 ( -6.414 0.000 1.192) 6.524 6.179 ( 2.820 0.000 4.818) 5.583 6.294 ( 4.362 0.000 5.880) 7.321 6.599 ( -0.898 0.000 -1.863) 2.068 6.846 ( 1.178 0.000 5.828) 5.946 6.935 ( 14.458 0.000 6.702) 15.936 7.397 ( -6.835 0.000 3.251) 7.569 7.512 ( -2.199 0.000 5.985) 6.376 7.533 ( -0.122 0.000 2.505) 2.508 7.791 ( -0.844 0.000 1.868) 2.049 8.039 ( -1.350 0.000 -3.071) 3.355 8.264 ( 2.148 0.000 -0.672) 2.251 8.522 ( -2.672 0.000 -1.761) 3.200 8.567 ( 2.245 0.000 -3.595) 4.239 8.770 ( 3.615 0.000 3.280) 4.881 9.147 ( 2.979 0.000 -3.850) 4.868 9.530 ( 0.343 0.000 3.523) 3.540 9.571 ( 0.670 0.000 2.944) 3.020 9.755 ( -4.134 0.000 1.702) 4.470 9.763 ( -1.294 0.000 4.256) 4.448 10.600 ( 0.234 0.000 -0.400) 0.464 10.614 ( -0.853 0.000 -1.551) 1.770 11.360 ( 0.094 0.000 -0.007) 0.094 11.381 ( 1.042 0.000 -0.742) 1.279 11.807 ( -0.412 0.000 -2.311) 2.347 11.929 ( -1.845 0.000 -4.331) 4.708 12.399 ( 2.266 0.000 0.063) 2.267 12.423 ( 0.910 0.000 -0.148) 0.922 12.732 ( 0.317 0.000 2.998) 3.015 12.958 ( 16.420 0.000 0.901) 16.445 13.696 ( 4.559 0.000 1.151) 4.702 13.973 ( -22.120 0.000 -2.153) 22.224 13.973 ( -0.540 0.000 0.587) 0.798 14.043 ( -7.581 0.000 -4.303) 8.717 14.705 ( -0.777 0.000 0.918) 1.203 14.752 ( 0.556 0.000 -0.075) 0.561 14.946 ( -0.181 0.000 -0.873) 0.892 14.978 ( -0.205 0.000 -0.838) 0.862 15.375 ( 0.382 0.000 0.016) 0.383 15.429 ( 0.452 0.000 -0.675) 0.812 16.978 ( -0.333 0.000 0.327) 0.467 17.175 ( 17.825 0.000 -3.245) 18.118 19.797 ( 0.940 0.000 2.881) 3.030 20.054 ( 0.597 0.000 -2.338) 2.413 21.523 ( 0.746 0.000 -0.569) 0.938 21.538 ( -0.339 0.000 -0.319) 0.465 21.819 ( -1.875 0.000 2.787) 3.359 22.108 ( -0.452 0.000 -2.385) 2.427 22.374 ( -0.666 0.000 0.505) 0.836 22.377 ( 1.311 0.000 3.387) 3.632 27.729 ( -0.072 0.000 -0.039) 0.082 27.734 ( -0.008 0.000 0.074) 0.075 28.284 ( -0.468 0.000 0.111) 0.481 28.298 ( -0.576 0.000 -0.135) 0.592 28.326 ( -0.307 0.000 -0.013) 0.308 28.328 ( -0.434 0.000 0.027) 0.435 28.816 ( 0.014 0.000 0.853) 0.853 28.856 ( 0.288 0.000 -0.663) 0.723 29.581 ( 0.917 0.000 8.262) 8.313 29.912 ( -0.344 0.000 -1.394) 1.436 30.192 ( -0.644 0.000 -1.892) 1.999 30.707 ( 0.732 0.000 -5.317) 5.368 31.098 ( -0.206 0.000 5.291) 5.295 31.861 ( -0.344 0.000 -11.758) 11.763 32.069 ( 1.600 0.000 1.455) 2.162 32.208 ( -1.255 0.000 7.128) 7.237 32.509 ( -8.794 0.000 -1.526) 8.925 32.552 ( 0.741 0.000 0.113) 0.750 33.310 ( 7.173 0.000 -0.857) 7.224 33.448 ( -0.640 0.000 -2.801) 2.873 ======================= Grid point 56 (20/96) ======================= q-point: ( 0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( 21.511 0.000 6.935) 22.601 0.811 ( 21.677 0.000 14.603) 26.137 1.394 ( 35.236 0.000 22.446) 41.778 1.595 ( 3.876 0.000 5.065) 6.378 1.611 ( 2.881 0.000 4.802) 5.600 1.765 ( -1.568 0.000 0.409) 1.621 1.806 ( -1.423 0.000 -0.574) 1.535 1.935 ( 2.140 0.000 -3.312) 3.944 2.039 ( 3.145 0.000 0.941) 3.283 2.058 ( -2.776 0.000 -5.074) 5.784 2.104 ( 4.428 0.000 0.945) 4.528 2.474 ( 0.710 0.000 -7.621) 7.654 2.550 ( 5.258 0.000 -0.727) 5.308 2.689 ( 3.636 0.000 -3.047) 4.744 2.860 ( -5.517 0.000 -7.768) 9.528 2.921 ( 11.816 0.000 2.759) 12.134 2.986 ( 6.580 0.000 2.208) 6.941 3.102 ( 3.500 0.000 -1.199) 3.699 3.345 ( 2.740 0.000 -12.034) 12.342 3.359 ( -2.554 0.000 0.349) 2.578 3.517 ( 2.593 0.000 -0.257) 2.606 3.728 ( -1.946 0.000 0.730) 2.078 3.863 ( 3.001 0.000 -12.618) 12.970 3.872 ( 0.859 0.000 -14.176) 14.202 4.389 ( 12.217 0.000 -8.157) 14.690 4.453 ( 13.395 0.000 11.877) 17.902 4.547 ( -5.625 0.000 -6.794) 8.820 4.728 ( -2.203 0.000 0.160) 2.209 4.808 ( 2.360 0.000 5.637) 6.111 4.829 ( -2.026 0.000 2.686) 3.364 5.099 ( 7.770 0.000 1.617) 7.936 5.256 ( 0.221 0.000 5.286) 5.290 5.464 ( 2.146 0.000 2.088) 2.994 5.613 ( -2.456 0.000 -0.359) 2.482 5.698 ( -0.097 0.000 -5.150) 5.151 5.878 ( 0.348 0.000 -8.886) 8.893 5.883 ( -2.768 0.000 -2.832) 3.960 6.056 ( 7.853 0.000 1.620) 8.018 6.059 ( -0.391 0.000 3.053) 3.078 6.261 ( 5.365 0.000 4.513) 7.010 6.456 ( 8.778 0.000 2.969) 9.266 6.587 ( -0.485 0.000 -4.075) 4.103 6.692 ( -13.318 0.000 17.548) 22.029 6.823 ( -3.387 0.000 7.475) 8.207 7.436 ( -5.728 0.000 3.225) 6.574 7.551 ( 6.942 0.000 -0.798) 6.988 7.608 ( 8.945 0.000 3.627) 9.653 7.757 ( -1.123 0.000 -0.008) 1.123 7.995 ( -2.616 0.000 -2.725) 3.777 8.338 ( 6.397 0.000 0.046) 6.397 8.437 ( -8.542 0.000 3.417) 9.200 8.541 ( 4.264 0.000 -4.425) 6.145 8.887 ( 7.061 0.000 3.618) 7.934 9.195 ( 1.842 0.000 -1.416) 2.323 9.593 ( 4.579 0.000 1.963) 4.982 9.593 ( 1.466 0.000 2.266) 2.699 9.756 ( 1.583 0.000 3.901) 4.210 9.784 ( 6.721 0.000 5.033) 8.396 10.538 ( -6.364 0.000 -1.761) 6.603 10.565 ( -4.334 0.000 -0.114) 4.336 11.349 ( 0.218 0.000 -0.254) 0.334 11.382 ( 0.294 0.000 -0.149) 0.330 11.750 ( -2.406 0.000 -3.074) 3.903 11.876 ( -2.580 0.000 -3.861) 4.644 12.559 ( 12.277 0.000 -0.360) 12.282 12.592 ( 13.948 0.000 1.072) 13.989 12.677 ( -5.679 0.000 2.780) 6.323 13.280 ( -8.309 0.000 -9.749) 12.809 13.659 ( -8.719 0.000 3.812) 9.516 13.687 ( -9.639 0.000 -9.387) 13.455 13.810 ( -14.895 0.000 0.129) 14.896 13.892 ( -15.301 0.000 -5.082) 16.123 14.689 ( -13.290 0.000 0.020) 13.290 14.713 ( -11.059 0.000 -1.037) 11.107 15.006 ( 6.557 0.000 -0.490) 6.576 15.097 ( 21.880 0.000 -10.560) 24.295 15.349 ( 4.825 0.000 -0.802) 4.891 15.427 ( 6.418 0.000 -0.764) 6.463 17.227 ( 22.797 0.000 0.019) 22.797 17.693 ( 25.139 0.000 -12.117) 27.907 19.539 ( -22.533 0.000 2.253) 22.646 19.645 ( -29.746 0.000 1.790) 29.800 21.516 ( -2.803 0.000 0.164) 2.808 21.543 ( -1.589 0.000 -0.728) 1.747 22.012 ( 17.699 0.000 1.618) 17.773 22.100 ( 2.036 0.000 2.573) 3.281 22.343 ( -1.758 0.000 1.075) 2.061 22.510 ( 11.450 0.000 9.264) 14.729 27.724 ( -0.297 0.000 -0.015) 0.297 27.732 ( -0.158 0.000 0.038) 0.163 28.283 ( -3.338 0.000 0.121) 3.340 28.295 ( -2.741 0.000 -0.141) 2.744 28.517 ( 21.337 0.000 -1.148) 21.368 28.880 ( 10.085 0.000 -2.709) 10.443 28.944 ( 8.238 0.000 -0.424) 8.249 29.147 ( 48.058 0.000 -35.958) 60.021 29.689 ( 8.607 0.000 7.674) 11.531 29.941 ( 3.181 0.000 -2.522) 4.059 30.207 ( 2.361 0.000 -1.164) 2.632 30.714 ( 0.022 0.000 -7.162) 7.162 31.087 ( -0.870 0.000 4.983) 5.058 31.792 ( -6.764 0.000 -7.688) 10.240 32.061 ( -2.489 0.000 1.911) 3.138 32.134 ( -6.167 0.000 6.416) 8.899 32.165 ( -19.187 0.000 14.339) 23.953 32.529 ( -3.227 0.000 2.269) 3.945 32.989 ( -23.283 0.000 8.998) 24.961 33.319 ( -11.343 0.000 -3.608) 11.903 ======================= Grid point 57 (21/96) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 24.681 0.000 -5.016) 25.185 1.305 ( 24.367 0.000 6.785) 25.294 1.570 ( -1.085 0.000 2.508) 2.733 1.620 ( -1.807 0.000 1.237) 2.190 1.705 ( 0.562 0.000 -0.168) 0.587 1.832 ( -0.297 0.000 0.734) 0.791 1.947 ( 2.107 0.000 -3.615) 4.184 2.068 ( 4.338 0.000 -7.694) 8.833 2.080 ( 2.052 0.000 2.571) 3.289 2.152 ( 19.302 0.000 13.853) 23.758 2.227 ( 9.420 0.000 1.711) 9.574 2.484 ( -3.566 0.000 -6.874) 7.744 2.534 ( 1.410 0.000 -5.412) 5.593 2.794 ( 8.551 0.000 0.877) 8.596 2.797 ( -1.899 0.000 -1.582) 2.472 2.919 ( -7.863 0.000 3.171) 8.478 3.219 ( -1.300 0.000 4.996) 5.162 3.270 ( 6.304 0.000 4.460) 7.722 3.414 ( 20.047 0.000 -0.713) 20.059 3.440 ( 5.571 0.000 -9.124) 10.690 3.546 ( 0.082 0.000 1.450) 1.452 3.697 ( 0.280 0.000 2.606) 2.621 3.838 ( -0.575 0.000 -6.002) 6.029 3.879 ( -0.526 0.000 -14.029) 14.039 4.430 ( 1.848 0.000 3.451) 3.915 4.542 ( -0.289 0.000 -4.491) 4.500 4.680 ( -0.342 0.000 0.432) 0.551 4.682 ( -2.714 0.000 -1.679) 3.191 4.942 ( 8.520 0.000 -3.265) 9.124 4.987 ( 16.236 0.000 -0.422) 16.241 5.285 ( 8.563 0.000 4.258) 9.563 5.296 ( 2.484 0.000 1.579) 2.944 5.519 ( 2.791 0.000 1.936) 3.397 5.591 ( 1.837 0.000 2.688) 3.256 5.691 ( 0.643 0.000 -3.332) 3.393 5.714 ( -8.044 0.000 -7.638) 11.093 5.981 ( 5.739 0.000 -3.198) 6.570 6.095 ( 3.831 0.000 3.182) 4.980 6.282 ( 12.176 0.000 -1.474) 12.265 6.409 ( 9.630 0.000 2.164) 9.870 6.489 ( 0.101 0.000 6.515) 6.516 6.573 ( 0.019 0.000 -1.419) 1.419 6.728 ( 10.777 0.000 3.880) 11.455 6.747 ( -3.168 0.000 7.275) 7.935 7.339 ( -2.259 0.000 1.887) 2.944 7.519 ( -7.103 0.000 1.780) 7.323 7.881 ( 16.362 0.000 2.457) 16.545 7.883 ( 11.751 0.000 -2.665) 12.050 7.959 ( 0.061 0.000 -2.297) 2.298 8.292 ( -4.433 0.000 5.646) 7.179 8.555 ( 12.879 0.000 -0.528) 12.890 8.661 ( 7.186 0.000 -6.480) 9.676 9.038 ( 7.043 0.000 4.278) 8.241 9.230 ( 1.828 0.000 2.685) 3.248 9.653 ( 4.995 0.000 -1.105) 5.116 9.689 ( 5.353 0.000 -2.202) 5.788 9.856 ( 7.388 0.000 4.847) 8.836 9.955 ( 8.795 0.000 5.839) 10.557 10.373 ( -8.747 0.000 -1.495) 8.874 10.419 ( -8.984 0.000 0.580) 9.003 11.420 ( 7.112 0.000 0.014) 7.112 11.436 ( 5.348 0.000 0.527) 5.374 11.727 ( -0.719 0.000 -3.622) 3.693 11.825 ( -2.486 0.000 -3.105) 3.978 12.476 ( -13.437 0.000 3.445) 13.872 12.823 ( 9.131 0.000 -0.758) 9.162 12.884 ( 9.665 0.000 1.103) 9.728 12.938 ( -20.420 0.000 -2.544) 20.578 13.343 ( -20.554 0.000 -3.858) 20.913 13.361 ( -19.110 0.000 2.628) 19.290 13.431 ( -18.719 0.000 0.939) 18.742 13.474 ( -21.302 0.000 -4.897) 21.858 14.277 ( -24.511 0.000 0.009) 24.511 14.315 ( -24.369 0.000 -0.591) 24.376 14.945 ( -9.197 0.000 0.122) 9.198 15.069 ( -10.733 0.000 -2.528) 11.027 15.887 ( 32.316 0.000 -1.256) 32.340 15.998 ( 38.762 0.000 -14.878) 41.519 17.817 ( 33.066 0.000 0.602) 33.071 18.191 ( 24.937 0.000 -2.750) 25.088 19.026 ( -25.514 0.000 0.773) 25.525 19.068 ( -25.115 0.000 -0.393) 25.118 21.389 ( -9.921 0.000 0.569) 9.937 21.433 ( -9.299 0.000 -0.911) 9.343 22.183 ( 5.307 0.000 1.042) 5.409 22.277 ( 2.128 0.000 -2.168) 3.038 22.434 ( 14.557 0.000 5.328) 15.501 22.772 ( 11.597 0.000 8.088) 14.139 27.721 ( 0.135 0.000 -0.043) 0.142 27.731 ( 0.143 0.000 0.006) 0.143 28.194 ( -5.120 0.000 0.346) 5.132 28.218 ( -4.737 0.000 -0.194) 4.741 29.067 ( 29.931 0.000 -2.304) 30.020 29.119 ( 14.026 0.000 -0.428) 14.032 29.177 ( 13.963 0.000 -0.697) 13.981 29.890 ( 24.903 0.000 -26.018) 36.015 29.897 ( 10.378 0.000 4.719) 11.400 30.041 ( 7.678 0.000 -8.873) 11.734 30.296 ( 6.666 0.000 1.507) 6.834 30.706 ( -0.215 0.000 -6.486) 6.489 31.074 ( -0.397 0.000 4.878) 4.895 31.592 ( -10.588 0.000 6.983) 12.684 31.885 ( -9.825 0.000 6.706) 11.896 31.953 ( -9.531 0.000 4.807) 10.674 31.990 ( -6.042 0.000 1.917) 6.339 32.422 ( -7.519 0.000 4.461) 8.742 32.565 ( -18.139 0.000 1.844) 18.232 33.015 ( -17.321 0.000 -4.384) 17.867 ======================= Grid point 58 (22/96) ======================= q-point: ( 0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 5.659 0.000 2.633) 6.242 1.542 ( -0.978 0.000 1.192) 1.541 1.589 ( -0.355 0.000 0.118) 0.374 1.700 ( 8.794 0.000 1.554) 8.931 1.764 ( -3.185 0.000 -2.906) 4.312 1.809 ( 12.398 0.000 -7.744) 14.618 2.010 ( 4.421 0.000 -4.266) 6.143 2.084 ( -0.293 0.000 2.534) 2.551 2.205 ( 8.748 0.000 0.565) 8.766 2.332 ( 5.405 0.000 0.873) 5.475 2.393 ( -3.529 0.000 -1.717) 3.924 2.430 ( 4.596 0.000 6.913) 8.302 2.648 ( 7.318 0.000 -6.728) 9.941 2.730 ( -8.453 0.000 -0.178) 8.455 2.781 ( 1.658 0.000 -6.607) 6.811 3.040 ( 11.343 0.000 1.802) 11.485 3.212 ( 5.100 0.000 3.114) 5.975 3.283 ( -4.706 0.000 10.578) 11.577 3.419 ( -8.183 0.000 5.349) 9.776 3.493 ( -0.117 0.000 -6.987) 6.988 3.753 ( 6.317 0.000 10.175) 11.977 3.764 ( 2.718 0.000 -0.820) 2.839 3.853 ( 2.598 0.000 0.794) 2.717 3.892 ( 2.650 0.000 -6.264) 6.802 4.444 ( -8.044 0.000 2.270) 8.358 4.628 ( 7.165 0.000 2.444) 7.571 4.683 ( 8.009 0.000 -11.969) 14.402 4.685 ( 3.323 0.000 -3.346) 4.715 4.959 ( -4.480 0.000 -12.981) 13.732 5.212 ( 6.746 0.000 1.940) 7.019 5.287 ( -7.455 0.000 0.240) 7.459 5.325 ( 0.229 0.000 1.022) 1.047 5.583 ( -4.436 0.000 -6.011) 7.470 5.645 ( 3.361 0.000 -4.100) 5.302 5.659 ( 10.400 0.000 5.883) 11.948 5.822 ( 10.556 0.000 5.164) 11.751 6.012 ( -2.822 0.000 1.828) 3.363 6.185 ( 2.685 0.000 5.840) 6.428 6.358 ( -2.392 0.000 -6.997) 7.395 6.615 ( 1.363 0.000 1.556) 2.069 6.666 ( 8.557 0.000 7.440) 11.340 6.676 ( 13.987 0.000 1.461) 14.063 6.772 ( 8.166 0.000 1.754) 8.352 7.001 ( 15.370 0.000 -2.656) 15.598 7.384 ( -2.883 0.000 0.820) 2.997 7.403 ( 8.968 0.000 -1.516) 9.095 7.980 ( 3.010 0.000 3.223) 4.410 8.082 ( 3.028 0.000 -1.254) 3.278 8.260 ( 18.319 0.000 -2.135) 18.443 8.308 ( 8.947 0.000 4.108) 9.844 8.844 ( 11.903 0.000 -7.399) 14.015 8.848 ( 15.339 0.000 -1.478) 15.410 9.166 ( 5.385 0.000 5.102) 7.418 9.282 ( 3.324 0.000 4.833) 5.866 9.809 ( 9.051 0.000 -3.533) 9.716 9.819 ( 5.687 0.000 -1.817) 5.970 10.018 ( 7.726 0.000 0.490) 7.741 10.072 ( 0.072 0.000 -1.731) 1.733 10.248 ( -0.307 0.000 1.170) 1.210 10.322 ( 4.642 0.000 8.036) 9.281 11.589 ( 8.662 0.000 1.002) 8.720 11.609 ( 8.836 0.000 -0.700) 8.864 11.680 ( -3.841 0.000 0.055) 3.842 11.760 ( -4.628 0.000 -0.121) 4.630 12.156 ( -16.689 0.000 2.224) 16.836 12.477 ( -20.974 0.000 -1.569) 21.033 12.607 ( -30.061 0.000 0.436) 30.064 12.617 ( -28.299 0.000 -0.419) 28.302 13.021 ( -15.504 0.000 -4.921) 16.266 13.053 ( -17.796 0.000 2.073) 17.916 13.226 ( -5.184 0.000 1.270) 5.338 13.228 ( -3.645 0.000 -1.269) 3.860 13.838 ( -11.057 0.000 -0.282) 11.060 13.849 ( -14.885 0.000 -0.353) 14.889 14.726 ( -11.714 0.000 0.108) 11.714 14.811 ( -13.899 0.000 -1.429) 13.972 16.565 ( 32.120 0.000 -1.423) 32.152 16.719 ( 31.757 0.000 -10.887) 33.571 18.441 ( 1.750 0.000 1.043) 2.037 18.481 ( -12.720 0.000 0.572) 12.733 18.626 ( 12.002 0.000 0.019) 12.002 18.879 ( 22.396 0.000 -1.664) 22.458 21.098 ( -18.694 0.000 0.947) 18.718 21.158 ( -17.614 0.000 -0.897) 17.637 22.313 ( 7.471 0.000 -0.553) 7.491 22.327 ( 4.240 0.000 -0.519) 4.272 22.675 ( 7.112 0.000 3.336) 7.856 22.932 ( 3.382 0.000 4.915) 5.966 27.733 ( 1.157 0.000 -0.108) 1.163 27.742 ( 1.066 0.000 -0.010) 1.066 28.082 ( -5.677 0.000 0.411) 5.692 28.107 ( -5.831 0.000 -0.203) 5.835 29.434 ( 16.174 0.000 -0.669) 16.188 29.482 ( 15.247 0.000 -0.388) 15.252 29.654 ( 25.447 0.000 -3.322) 25.663 30.077 ( 7.206 0.000 1.334) 7.328 30.108 ( 3.820 0.000 -1.160) 3.992 30.345 ( 16.030 0.000 -21.742) 27.012 30.486 ( 11.269 0.000 4.299) 12.061 30.724 ( 2.942 0.000 -2.531) 3.881 31.077 ( 0.264 0.000 5.205) 5.212 31.418 ( -6.815 0.000 7.894) 10.429 31.695 ( -9.548 0.000 2.793) 9.948 31.719 ( -12.651 0.000 2.950) 12.990 31.877 ( -4.668 0.000 1.011) 4.776 32.201 ( -12.405 0.000 2.485) 12.652 32.293 ( -9.490 0.000 -0.647) 9.512 32.643 ( -18.210 0.000 -4.082) 18.662 ======================= Grid point 59 (23/96) ======================= q-point: ( 0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -2.206 0.000 3.763) 4.363 1.538 ( -0.778 0.000 2.261) 2.392 1.610 ( 1.616 0.000 0.392) 1.663 1.687 ( -2.693 0.000 -1.692) 3.180 1.725 ( -1.680 0.000 -2.446) 2.968 2.037 ( 3.775 0.000 -0.180) 3.780 2.090 ( 1.611 0.000 0.582) 1.713 2.104 ( 4.215 0.000 -4.432) 6.116 2.251 ( -4.047 0.000 0.816) 4.128 2.382 ( -0.142 0.000 -0.016) 0.143 2.493 ( 2.217 0.000 5.261) 5.709 2.513 ( 11.464 0.000 -2.359) 11.704 2.616 ( -2.195 0.000 -0.501) 2.252 2.771 ( 6.421 0.000 2.015) 6.730 2.889 ( 8.598 0.000 -13.123) 15.689 3.082 ( -7.657 0.000 6.822) 10.255 3.242 ( -8.338 0.000 8.857) 12.164 3.279 ( 5.506 0.000 1.483) 5.702 3.416 ( 10.460 0.000 3.184) 10.934 3.447 ( -2.939 0.000 -5.218) 5.988 3.748 ( -10.527 0.000 -1.396) 10.619 3.781 ( 2.658 0.000 -7.260) 7.732 3.867 ( 1.402 0.000 -0.521) 1.496 3.968 ( 1.351 0.000 1.621) 2.111 4.343 ( -0.788 0.000 9.693) 9.725 4.581 ( -10.757 0.000 -2.967) 11.159 4.656 ( 2.859 0.000 3.746) 4.712 4.898 ( 6.212 0.000 -8.346) 10.404 4.979 ( 5.496 0.000 -7.397) 9.215 5.174 ( -0.950 0.000 0.234) 0.979 5.330 ( 4.970 0.000 4.791) 6.903 5.340 ( 1.322 0.000 2.085) 2.468 5.467 ( -6.278 0.000 -4.292) 7.605 5.739 ( 5.794 0.000 -8.953) 10.665 5.885 ( 5.662 0.000 5.706) 8.038 5.910 ( -3.438 0.000 -0.536) 3.480 6.017 ( 6.782 0.000 3.678) 7.715 6.267 ( 7.093 0.000 3.553) 7.933 6.301 ( -1.948 0.000 -4.497) 4.901 6.544 ( -5.365 0.000 2.777) 6.041 6.848 ( 8.077 0.000 5.232) 9.624 6.875 ( 5.815 0.000 0.857) 5.878 6.890 ( 2.021 0.000 -1.822) 2.721 7.053 ( -8.127 0.000 2.386) 8.470 7.600 ( 7.217 0.000 -3.317) 7.943 7.627 ( 19.039 0.000 -5.447) 19.802 8.057 ( 2.888 0.000 6.227) 6.864 8.060 ( -2.197 0.000 2.908) 3.645 8.531 ( 8.529 0.000 0.467) 8.542 8.578 ( 12.181 0.000 -4.156) 12.870 9.143 ( 14.311 0.000 -10.265) 17.612 9.145 ( 11.676 0.000 -6.796) 13.509 9.276 ( 5.560 0.000 4.887) 7.402 9.367 ( 4.585 0.000 4.981) 6.770 9.815 ( -4.168 0.000 0.964) 4.278 9.817 ( -6.684 0.000 0.523) 6.704 10.257 ( 20.843 0.000 -4.886) 21.408 10.279 ( 20.441 0.000 -3.022) 20.663 10.413 ( 13.499 0.000 3.586) 13.968 10.565 ( 15.643 0.000 7.695) 17.434 11.467 ( -15.237 0.000 3.940) 15.738 11.528 ( -18.211 0.000 8.454) 20.077 11.607 ( -21.485 0.000 2.025) 21.580 11.642 ( -23.410 0.000 1.192) 23.440 11.866 ( 3.766 0.000 -1.837) 4.190 12.138 ( -0.934 0.000 -1.038) 1.397 12.190 ( -2.678 0.000 -1.401) 3.022 12.246 ( -5.145 0.000 -2.208) 5.599 12.669 ( -20.323 0.000 1.157) 20.356 12.691 ( -15.609 0.000 -4.758) 16.318 12.881 ( -20.447 0.000 0.686) 20.459 12.919 ( -20.838 0.000 -1.205) 20.873 13.889 ( 12.805 0.000 0.054) 12.805 13.924 ( 12.543 0.000 -0.027) 12.543 14.472 ( -13.173 0.000 -0.174) 13.174 14.511 ( -15.317 0.000 -0.815) 15.339 17.165 ( 26.509 0.000 -1.267) 26.539 17.291 ( 24.717 0.000 -6.388) 25.529 18.063 ( -20.987 0.000 -1.011) 21.012 18.119 ( -18.459 0.000 -1.704) 18.537 19.308 ( 35.881 0.000 1.490) 35.912 19.495 ( 32.582 0.000 0.014) 32.582 20.628 ( -27.095 0.000 1.206) 27.121 20.715 ( -25.448 0.000 -0.851) 25.462 22.455 ( 7.900 0.000 0.197) 7.903 22.484 ( 8.935 0.000 -0.810) 8.972 22.723 ( -2.015 0.000 2.053) 2.877 22.919 ( -4.248 0.000 1.934) 4.668 27.769 ( 2.315 0.000 -0.134) 2.319 27.776 ( 2.232 0.000 -0.026) 2.232 27.970 ( -5.017 0.000 0.319) 5.027 27.990 ( -5.266 0.000 -0.209) 5.271 29.751 ( 14.116 0.000 -1.423) 14.188 29.770 ( 12.351 0.000 -0.875) 12.382 29.975 ( 3.949 0.000 -2.438) 4.641 30.119 ( -2.773 0.000 -1.775) 3.292 30.287 ( 14.889 0.000 0.543) 14.899 30.595 ( 9.136 0.000 -11.436) 14.637 30.717 ( 9.612 0.000 3.691) 10.297 30.858 ( 10.084 0.000 0.808) 10.116 31.058 ( -2.911 0.000 5.081) 5.855 31.283 ( -7.599 0.000 1.932) 7.841 31.464 ( -11.518 0.000 1.521) 11.618 31.509 ( -7.956 0.000 3.862) 8.844 31.847 ( 2.927 0.000 0.102) 2.929 32.011 ( -5.630 0.000 -0.850) 5.694 32.116 ( -7.602 0.000 0.428) 7.614 32.289 ( -15.888 0.000 -2.640) 16.106 ======================= Grid point 60 (24/96) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( -1.603 0.000 3.704) 4.036 1.526 ( -0.283 0.000 2.349) 2.366 1.603 ( -2.034 0.000 -3.667) 4.194 1.641 ( 0.105 0.000 -0.477) 0.489 1.786 ( 5.767 0.000 2.959) 6.482 2.004 ( -4.671 0.000 -1.951) 5.062 2.082 ( -1.995 0.000 1.700) 2.621 2.165 ( 1.387 0.000 -3.239) 3.524 2.198 ( -0.548 0.000 -1.360) 1.467 2.365 ( -2.031 0.000 -1.163) 2.341 2.490 ( -3.033 0.000 3.632) 4.732 2.615 ( 0.673 0.000 -0.726) 0.990 2.656 ( 5.593 0.000 0.561) 5.621 2.929 ( 5.289 0.000 2.428) 5.819 2.932 ( -5.930 0.000 8.275) 10.180 3.006 ( -5.283 0.000 -0.151) 5.285 3.151 ( 5.122 0.000 -1.272) 5.278 3.284 ( -6.718 0.000 -5.662) 8.786 3.429 ( -10.700 0.000 -3.611) 11.293 3.458 ( 4.090 0.000 -4.636) 6.182 3.570 ( -1.025 0.000 -4.493) 4.608 3.749 ( -8.139 0.000 -10.760) 13.492 3.958 ( 5.988 0.000 3.472) 6.922 3.962 ( 3.708 0.000 0.117) 3.710 4.204 ( -9.161 0.000 3.711) 9.884 4.648 ( 14.723 0.000 10.708) 18.205 4.799 ( 8.257 0.000 7.190) 10.948 4.952 ( 1.259 0.000 -4.399) 4.576 5.065 ( 3.204 0.000 -3.367) 4.648 5.204 ( 0.215 0.000 1.575) 1.590 5.351 ( -3.365 0.000 -0.507) 3.403 5.362 ( 0.418 0.000 2.960) 2.990 5.436 ( 6.076 0.000 4.290) 7.438 5.783 ( -4.301 0.000 -0.404) 4.320 5.849 ( 3.733 0.000 -7.914) 8.750 5.965 ( -0.567 0.000 0.546) 0.787 6.078 ( 0.766 0.000 -4.159) 4.229 6.251 ( -4.914 0.000 -2.307) 5.429 6.460 ( 7.168 0.000 3.362) 7.917 6.486 ( 1.195 0.000 6.588) 6.695 6.849 ( -5.312 0.000 -2.725) 5.971 6.857 ( -8.144 0.000 1.134) 8.222 6.938 ( 0.555 0.000 0.541) 0.775 6.984 ( 3.992 0.000 2.841) 4.899 7.667 ( -0.562 0.000 -2.698) 2.756 7.795 ( -4.392 0.000 -6.582) 7.912 8.065 ( -1.940 0.000 5.079) 5.437 8.095 ( 5.942 0.000 4.939) 7.726 8.604 ( -1.319 0.000 -0.573) 1.438 8.742 ( 3.636 0.000 -3.974) 5.386 9.206 ( -6.780 0.000 -8.630) 10.975 9.208 ( -4.300 0.000 -9.386) 10.324 9.383 ( 0.422 0.000 1.527) 1.584 9.493 ( 3.741 0.000 -1.167) 3.919 9.709 ( -1.156 0.000 2.390) 2.655 9.738 ( -2.201 0.000 2.516) 3.343 10.653 ( 1.939 0.000 -1.083) 2.221 10.703 ( -0.735 0.000 -1.579) 1.742 10.788 ( 3.558 0.000 2.557) 4.382 10.810 ( 0.239 0.000 1.422) 1.442 10.969 ( -0.334 0.000 2.350) 2.374 11.057 ( 1.786 0.000 1.277) 2.195 11.292 ( 2.052 0.000 10.844) 11.036 11.318 ( -3.022 0.000 9.828) 10.283 12.090 ( 8.138 0.000 -2.108) 8.407 12.188 ( -2.504 0.000 -3.387) 4.212 12.221 ( -7.885 0.000 1.054) 7.955 12.250 ( -5.990 0.000 -1.216) 6.113 12.326 ( 0.841 0.000 -0.283) 0.887 12.492 ( 6.743 0.000 -3.609) 7.648 12.608 ( -2.581 0.000 -1.527) 2.999 12.673 ( 1.371 0.000 -0.469) 1.449 14.164 ( -2.791 0.000 0.106) 2.793 14.171 ( -5.391 0.000 -0.119) 5.392 14.222 ( 2.813 0.000 -0.598) 2.876 14.223 ( 5.019 0.000 -0.332) 5.030 17.619 ( -20.578 0.000 -2.129) 20.687 17.657 ( 19.734 0.000 -0.827) 19.752 17.737 ( -9.175 0.000 -3.643) 9.871 17.743 ( 10.138 0.000 -2.926) 10.552 20.003 ( -21.160 0.000 1.215) 21.195 20.015 ( 20.188 0.000 1.276) 20.228 20.090 ( -10.109 0.000 -0.029) 10.109 20.188 ( 9.139 0.000 -0.862) 9.179 22.617 ( -2.367 0.000 0.930) 2.543 22.631 ( 3.367 0.000 1.539) 3.702 22.638 ( 3.187 0.000 0.893) 3.310 22.809 ( -3.397 0.000 -1.103) 3.571 27.810 ( 0.275 0.000 -0.031) 0.277 27.812 ( -0.101 0.000 -0.081) 0.129 27.901 ( -0.189 0.000 0.174) 0.257 27.923 ( 0.214 0.000 -0.138) 0.255 29.906 ( -4.817 0.000 -3.415) 5.905 29.926 ( -3.235 0.000 -3.550) 4.803 29.991 ( 4.991 0.000 0.765) 5.050 30.062 ( 3.403 0.000 -0.053) 3.403 30.507 ( 0.482 0.000 1.183) 1.277 30.725 ( 3.238 0.000 -4.096) 5.221 30.804 ( 0.724 0.000 1.229) 1.426 31.001 ( -3.188 0.000 3.745) 4.918 31.067 ( 6.915 0.000 -0.571) 6.938 31.109 ( -6.911 0.000 -0.220) 6.914 31.317 ( 0.026 0.000 1.955) 1.955 31.402 ( -1.614 0.000 3.530) 3.882 31.971 ( 0.775 0.000 -0.430) 0.886 31.986 ( -0.845 0.000 -0.332) 0.908 32.009 ( -1.434 0.000 -0.839) 1.661 32.035 ( 2.533 0.000 -0.906) 2.690 ======================= Grid point 61 (25/96) ======================= q-point: (-0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -0.228 0.000 2.613) 2.623 1.529 ( 0.490 0.000 2.125) 2.181 1.575 ( -0.685 0.000 -3.014) 3.091 1.674 ( 2.783 0.000 -2.094) 3.482 1.883 ( 1.717 0.000 3.241) 3.668 1.894 ( -4.964 0.000 -6.288) 8.011 2.031 ( -2.024 0.000 1.369) 2.443 2.176 ( -1.315 0.000 -1.553) 2.035 2.226 ( 2.651 0.000 -2.042) 3.347 2.287 ( -6.446 0.000 -3.370) 7.274 2.367 ( -7.929 0.000 -0.305) 7.935 2.621 ( 0.966 0.000 -0.449) 1.066 2.746 ( -14.610 0.000 5.892) 15.754 2.781 ( 4.571 0.000 6.458) 7.912 2.888 ( 2.479 0.000 1.834) 3.084 2.984 ( 2.020 0.000 -1.375) 2.444 3.016 ( -15.505 0.000 -12.067) 19.647 3.151 ( -13.760 0.000 -6.025) 15.021 3.337 ( 7.079 0.000 1.282) 7.195 3.534 ( 2.457 0.000 -3.251) 4.075 3.586 ( 1.454 0.000 -2.224) 2.657 3.669 ( 1.021 0.000 -2.187) 2.414 3.940 ( -4.648 0.000 3.028) 5.548 4.009 ( -0.400 0.000 3.524) 3.547 4.275 ( 11.919 0.000 3.037) 12.300 4.853 ( -4.612 0.000 0.390) 4.628 4.915 ( 5.812 0.000 7.714) 9.658 5.006 ( 2.683 0.000 -6.910) 7.412 5.162 ( -0.618 0.000 -0.777) 0.993 5.172 ( 10.070 0.000 0.429) 10.079 5.350 ( 3.035 0.000 5.141) 5.970 5.367 ( 0.383 0.000 4.127) 4.145 5.592 ( 6.644 0.000 4.152) 7.835 5.715 ( -4.815 0.000 1.911) 5.180 5.811 ( -7.428 0.000 -4.289) 8.577 5.929 ( -0.719 0.000 -1.154) 1.359 6.115 ( -6.726 0.000 2.252) 7.093 6.143 ( 5.506 0.000 -6.983) 8.892 6.354 ( -13.895 0.000 6.463) 15.325 6.507 ( -4.145 0.000 1.514) 4.413 6.712 ( -4.379 0.000 0.190) 4.384 6.821 ( -3.238 0.000 -0.367) 3.259 6.966 ( 6.653 0.000 -1.560) 6.833 6.986 ( -5.136 0.000 1.825) 5.450 7.562 ( -9.141 0.000 -4.510) 10.193 7.564 ( -16.104 0.000 -3.765) 16.538 8.023 ( -1.605 0.000 4.564) 4.838 8.189 ( 2.339 0.000 3.397) 4.124 8.483 ( -10.170 0.000 -1.228) 10.244 8.682 ( -10.910 0.000 -2.371) 11.165 9.022 ( -7.815 0.000 -9.263) 12.119 9.028 ( -13.303 0.000 -10.380) 16.873 9.214 ( -11.703 0.000 4.287) 12.464 9.360 ( -12.785 0.000 2.492) 13.025 9.791 ( 4.671 0.000 0.349) 4.684 9.812 ( 7.709 0.000 0.646) 7.736 10.209 ( -22.351 0.000 -0.939) 22.371 10.231 ( -22.514 0.000 -3.233) 22.744 10.601 ( -14.422 0.000 5.158) 15.317 10.620 ( -10.269 0.000 5.583) 11.688 11.459 ( 21.899 0.000 5.156) 22.498 11.561 ( 18.076 0.000 0.664) 18.088 11.621 ( 21.125 0.000 8.990) 22.959 11.635 ( 16.063 0.000 1.673) 16.149 11.947 ( 0.072 0.000 1.959) 1.960 12.068 ( -0.861 0.000 -4.799) 4.876 12.159 ( 5.882 0.000 -3.829) 7.018 12.170 ( 2.436 0.000 -2.339) 3.377 12.615 ( 17.671 0.000 -1.227) 17.714 12.816 ( 19.366 0.000 -1.821) 19.452 12.827 ( 17.788 0.000 -0.408) 17.793 12.923 ( 20.514 0.000 -0.205) 20.515 13.880 ( -12.760 0.000 -0.133) 12.761 13.902 ( -12.225 0.000 -0.817) 12.252 14.483 ( 12.819 0.000 0.209) 12.821 14.520 ( 15.244 0.000 -0.647) 15.258 17.113 ( -27.235 0.000 -3.172) 27.419 17.323 ( -21.788 0.000 -5.334) 22.432 18.078 ( 19.972 0.000 -0.537) 19.979 18.127 ( 18.188 0.000 -1.417) 18.244 19.284 ( -36.485 0.000 0.889) 36.495 19.432 ( -34.971 0.000 -1.449) 35.001 20.618 ( 26.313 0.000 0.772) 26.325 20.734 ( 25.191 0.000 -0.141) 25.191 22.465 ( -7.476 0.000 0.622) 7.501 22.532 ( -9.095 0.000 -0.594) 9.115 22.754 ( 3.394 0.000 3.171) 4.644 22.860 ( 3.686 0.000 0.801) 3.772 27.775 ( -2.209 0.000 -0.123) 2.213 27.775 ( -2.234 0.000 0.075) 2.235 27.968 ( 5.176 0.000 0.227) 5.181 27.997 ( 5.549 0.000 0.024) 5.549 29.715 ( -13.649 0.000 -2.002) 13.795 29.717 ( -11.989 0.000 -2.542) 12.255 30.032 ( -4.252 0.000 -0.267) 4.261 30.158 ( 2.469 0.000 -1.022) 2.672 30.282 ( -16.063 0.000 -0.341) 16.066 30.656 ( -9.416 0.000 -9.039) 13.052 30.750 ( -9.805 0.000 4.338) 10.722 30.976 ( 3.206 0.000 2.150) 3.860 30.990 ( -5.560 0.000 -4.569) 7.197 31.180 ( 6.871 0.000 11.146) 13.093 31.453 ( 10.034 0.000 1.444) 10.138 31.482 ( 7.353 0.000 0.480) 7.369 31.869 ( -1.883 0.000 1.064) 2.163 32.007 ( 4.453 0.000 -1.439) 4.679 32.093 ( 7.571 0.000 -0.639) 7.598 32.327 ( 17.172 0.000 -1.166) 17.212 ======================= Grid point 62 (26/96) ======================= q-point: (-0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -2.721 0.000 0.397) 2.750 1.544 ( 0.719 0.000 2.124) 2.242 1.557 ( -1.028 0.000 -1.998) 2.247 1.684 ( -7.613 0.000 -0.483) 7.628 1.800 ( -6.548 0.000 -9.065) 11.183 1.841 ( -0.926 0.000 1.869) 2.086 1.953 ( -15.110 0.000 -2.646) 15.340 2.038 ( 2.066 0.000 1.918) 2.819 2.157 ( -4.823 0.000 -5.264) 7.140 2.261 ( 0.702 0.000 -1.597) 1.745 2.264 ( -4.388 0.000 -0.362) 4.403 2.526 ( -4.830 0.000 6.719) 8.275 2.702 ( 5.343 0.000 -4.107) 6.739 2.732 ( -6.612 0.000 -2.934) 7.233 2.868 ( -11.403 0.000 -4.070) 12.107 2.893 ( 4.074 0.000 1.684) 4.408 3.007 ( 5.442 0.000 -1.251) 5.584 3.058 ( 5.236 0.000 -5.163) 7.353 3.426 ( 0.643 0.000 9.371) 9.393 3.517 ( -4.063 0.000 -3.128) 5.127 3.572 ( -3.298 0.000 -0.005) 3.298 3.722 ( 3.463 0.000 0.902) 3.579 3.887 ( -1.296 0.000 -2.945) 3.218 3.978 ( -2.518 0.000 1.721) 3.050 4.508 ( 9.278 0.000 0.320) 9.284 4.671 ( -11.161 0.000 0.468) 11.171 4.899 ( -5.148 0.000 4.876) 7.091 4.961 ( -4.513 0.000 -2.599) 5.208 5.229 ( -3.093 0.000 -10.596) 11.039 5.354 ( -1.465 0.000 1.223) 1.908 5.392 ( -9.543 0.000 10.774) 14.393 5.412 ( 6.841 0.000 4.925) 8.429 5.464 ( 2.012 0.000 -4.234) 4.687 5.557 ( -15.763 0.000 -3.307) 16.107 5.747 ( 5.137 0.000 6.267) 8.103 5.978 ( 2.665 0.000 1.015) 2.852 5.991 ( -4.202 0.000 8.055) 9.085 6.118 ( -7.533 0.000 3.599) 8.349 6.235 ( -1.270 0.000 -7.412) 7.520 6.370 ( 0.060 0.000 -4.370) 4.370 6.642 ( -12.479 0.000 2.971) 12.828 6.688 ( -11.236 0.000 5.926) 12.703 6.734 ( -9.010 0.000 -3.557) 9.687 7.003 ( -13.299 0.000 -2.760) 13.582 7.331 ( 3.206 0.000 -0.857) 3.318 7.385 ( -5.445 0.000 -1.767) 5.725 7.982 ( -3.736 0.000 3.450) 5.085 8.149 ( -10.311 0.000 0.167) 10.312 8.275 ( -4.237 0.000 1.143) 4.389 8.374 ( -14.717 0.000 0.227) 14.719 8.709 ( -14.489 0.000 -6.160) 15.744 8.895 ( -5.681 0.000 -8.431) 10.166 9.029 ( -7.497 0.000 2.392) 7.869 9.136 ( -7.731 0.000 4.588) 8.990 9.817 ( -3.927 0.000 -2.955) 4.915 9.843 ( -7.293 0.000 -4.045) 8.340 9.924 ( -5.970 0.000 2.375) 6.425 9.971 ( -3.619 0.000 1.326) 3.855 10.390 ( -3.383 0.000 5.131) 6.146 10.456 ( -3.847 0.000 5.230) 6.492 11.527 ( -10.067 0.000 -1.614) 10.196 11.529 ( -10.838 0.000 -1.193) 10.903 11.880 ( 14.286 0.000 5.165) 15.191 11.897 ( 3.720 0.000 4.462) 5.809 12.063 ( 8.249 0.000 -2.322) 8.569 12.289 ( 20.749 0.000 -6.417) 21.719 12.618 ( 29.098 0.000 0.707) 29.106 12.637 ( 29.111 0.000 0.477) 29.115 12.945 ( 15.339 0.000 -2.364) 15.520 13.141 ( 9.705 0.000 0.178) 9.707 13.148 ( 6.406 0.000 -1.631) 6.611 13.284 ( 12.195 0.000 0.289) 12.198 13.833 ( 11.396 0.000 -0.491) 11.406 13.838 ( 14.800 0.000 -0.618) 14.813 14.732 ( 11.458 0.000 0.331) 11.462 14.818 ( 13.778 0.000 -1.405) 13.849 16.500 ( -32.309 0.000 -3.933) 32.547 16.830 ( -26.494 0.000 -8.464) 27.813 18.407 ( -7.721 0.000 0.183) 7.723 18.429 ( 0.088 0.000 0.336) 0.347 18.625 ( -6.885 0.000 0.080) 6.886 18.789 ( -15.313 0.000 -3.468) 15.700 21.077 ( 18.361 0.000 0.217) 18.363 21.173 ( 17.568 0.000 -0.190) 17.569 22.339 ( -4.573 0.000 0.264) 4.581 22.350 ( -8.053 0.000 -1.824) 8.257 22.738 ( -5.652 0.000 5.312) 7.756 22.866 ( -3.919 0.000 4.085) 5.661 27.740 ( -1.154 0.000 0.116) 1.160 27.741 ( -1.018 0.000 -0.074) 1.020 28.085 ( 5.977 0.000 0.476) 5.996 28.120 ( 6.158 0.000 0.186) 6.161 29.410 ( -15.540 0.000 -1.070) 15.577 29.438 ( -14.598 0.000 -2.261) 14.772 29.683 ( -26.333 0.000 -1.728) 26.390 30.057 ( -8.591 0.000 0.850) 8.633 30.141 ( -3.722 0.000 -1.124) 3.887 30.398 ( -15.092 0.000 -19.532) 24.683 30.522 ( -10.857 0.000 4.008) 11.573 30.845 ( -7.099 0.000 -3.626) 7.972 31.033 ( 1.864 0.000 3.873) 4.299 31.423 ( 15.733 0.000 19.152) 24.785 31.627 ( 6.532 0.000 -3.474) 7.399 31.664 ( 10.029 0.000 0.828) 10.064 31.921 ( 5.892 0.000 2.984) 6.605 32.153 ( 9.072 0.000 -1.331) 9.169 32.281 ( 10.391 0.000 -0.519) 10.404 32.696 ( 18.565 0.000 -1.979) 18.670 ======================= Grid point 63 (27/96) ======================= q-point: (-0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( -24.774 0.000 -4.910) 25.256 1.322 ( -23.010 0.000 7.571) 24.224 1.553 ( -0.149 0.000 2.430) 2.435 1.557 ( 0.590 0.000 1.036) 1.192 1.636 ( -1.980 0.000 -2.853) 3.473 1.851 ( -2.798 0.000 -0.151) 2.802 1.888 ( 2.575 0.000 2.066) 3.301 2.033 ( -7.822 0.000 -0.567) 7.842 2.108 ( 4.460 0.000 1.667) 4.761 2.109 ( -10.148 0.000 3.145) 10.625 2.286 ( 1.590 0.000 -1.892) 2.472 2.460 ( -4.699 0.000 1.260) 4.865 2.658 ( -4.605 0.000 1.366) 4.803 2.673 ( 0.434 0.000 -1.619) 1.676 2.868 ( 6.389 0.000 -5.070) 8.156 2.966 ( 0.515 0.000 -0.596) 0.788 3.043 ( -2.528 0.000 -3.899) 4.647 3.169 ( 3.510 0.000 -9.444) 10.075 3.371 ( -8.362 0.000 4.851) 9.667 3.430 ( -2.372 0.000 -5.830) 6.294 3.470 ( -2.796 0.000 3.507) 4.485 3.795 ( 2.643 0.000 4.013) 4.805 3.814 ( -6.664 0.000 -4.315) 7.939 3.869 ( -7.278 0.000 -10.164) 12.501 4.437 ( -12.735 0.000 3.231) 13.139 4.621 ( 0.416 0.000 -4.642) 4.661 4.739 ( -9.987 0.000 1.274) 10.068 4.837 ( -14.077 0.000 -4.861) 14.892 4.904 ( -3.023 0.000 1.822) 3.530 5.047 ( -17.173 0.000 0.655) 17.186 5.392 ( -2.235 0.000 6.728) 7.089 5.453 ( 3.720 0.000 2.034) 4.239 5.520 ( 0.654 0.000 -5.994) 6.030 5.542 ( 3.114 0.000 -1.293) 3.372 5.827 ( 1.436 0.000 2.200) 2.627 5.929 ( -7.516 0.000 -2.635) 7.964 5.960 ( -1.142 0.000 7.455) 7.542 6.073 ( 4.392 0.000 10.788) 11.648 6.159 ( -6.486 0.000 -5.622) 8.583 6.167 ( -15.510 0.000 -5.561) 16.476 6.404 ( -8.530 0.000 7.017) 11.045 6.566 ( 7.351 0.000 0.011) 7.351 6.648 ( -16.390 0.000 -1.133) 16.429 6.716 ( -0.389 0.000 3.223) 3.246 7.361 ( 2.567 0.000 2.214) 3.390 7.506 ( 8.897 0.000 -0.624) 8.919 7.842 ( -9.606 0.000 1.325) 9.697 7.905 ( -9.978 0.000 -0.858) 10.015 8.165 ( -6.313 0.000 4.147) 7.554 8.242 ( -1.796 0.000 0.584) 1.888 8.500 ( -4.946 0.000 -0.515) 4.973 8.764 ( -6.786 0.000 -5.695) 8.860 8.880 ( -7.022 0.000 -0.178) 7.024 9.056 ( -0.624 0.000 0.582) 0.853 9.722 ( -4.892 0.000 1.514) 5.121 9.728 ( -3.519 0.000 -1.466) 3.812 9.818 ( -4.733 0.000 2.248) 5.239 9.832 ( -8.225 0.000 4.798) 9.522 10.460 ( 6.623 0.000 1.228) 6.736 10.482 ( 4.724 0.000 2.318) 5.262 11.352 ( -5.458 0.000 -1.386) 5.631 11.357 ( -4.920 0.000 -2.234) 5.404 11.900 ( -2.054 0.000 -0.234) 2.067 11.961 ( -0.302 0.000 0.072) 0.310 12.390 ( 16.684 0.000 1.279) 16.733 12.688 ( 10.027 0.000 -6.219) 11.800 12.810 ( -10.964 0.000 -1.754) 11.103 12.856 ( -2.122 0.000 0.110) 2.125 13.228 ( 14.885 0.000 -2.277) 15.059 13.425 ( 23.040 0.000 0.288) 23.042 13.432 ( 24.027 0.000 0.609) 24.035 13.652 ( 22.425 0.000 -1.131) 22.453 14.265 ( 24.230 0.000 -0.503) 24.235 14.311 ( 25.133 0.000 -0.423) 25.137 14.945 ( 8.777 0.000 0.162) 8.778 15.074 ( 11.032 0.000 -2.540) 11.321 15.830 ( -30.981 0.000 -3.426) 31.170 16.216 ( -33.771 0.000 -13.757) 36.465 17.793 ( -31.809 0.000 0.324) 31.811 17.901 ( -32.426 0.000 -3.657) 32.632 19.010 ( 24.556 0.000 0.261) 24.557 19.077 ( 25.102 0.000 -0.539) 25.108 21.366 ( 9.994 0.000 -0.160) 9.995 21.447 ( 9.251 0.000 -0.188) 9.253 22.212 ( -5.387 0.000 -1.995) 5.745 22.270 ( -3.466 0.000 -0.584) 3.514 22.531 ( -13.272 0.000 7.002) 15.006 22.697 ( -12.159 0.000 7.932) 14.518 27.727 ( -0.225 0.000 0.143) 0.266 27.731 ( -0.105 0.000 -0.018) 0.107 28.203 ( 5.300 0.000 0.578) 5.331 28.235 ( 4.809 0.000 0.297) 4.818 29.088 ( -29.841 0.000 -2.351) 29.933 29.106 ( -13.519 0.000 -0.634) 13.534 29.148 ( -13.267 0.000 -1.003) 13.305 29.851 ( -11.056 0.000 3.814) 11.696 29.953 ( -23.888 0.000 -30.132) 38.452 30.064 ( -8.339 0.000 -5.578) 10.033 30.339 ( -6.995 0.000 1.337) 7.122 30.734 ( -3.384 0.000 -2.586) 4.259 31.065 ( 1.321 0.000 5.111) 5.279 31.746 ( 5.312 0.000 -7.597) 9.270 31.833 ( 23.882 0.000 27.314) 36.282 31.853 ( 8.294 0.000 0.629) 8.318 32.064 ( 6.974 0.000 5.117) 8.649 32.341 ( 8.635 0.000 -0.602) 8.656 32.505 ( 11.366 0.000 -0.346) 11.371 33.063 ( 16.724 0.000 -2.513) 16.912 ======================= Grid point 64 (28/96) ======================= q-point: (-0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( -18.536 0.000 9.882) 21.006 0.839 ( -22.654 0.000 15.330) 27.354 1.406 ( -30.556 0.000 19.364) 36.175 1.571 ( -0.104 0.000 4.482) 4.483 1.587 ( -4.929 0.000 4.706) 6.815 1.667 ( 4.268 0.000 -0.634) 4.315 1.916 ( 0.110 0.000 1.860) 1.863 1.941 ( -1.180 0.000 1.267) 1.731 2.008 ( 0.154 0.000 -1.930) 1.936 2.162 ( -2.629 0.000 2.388) 3.552 2.214 ( -9.756 0.000 4.981) 10.954 2.394 ( 1.135 0.000 -7.092) 7.182 2.617 ( -3.102 0.000 2.639) 4.073 2.724 ( 3.597 0.000 -1.382) 3.853 2.842 ( -12.297 0.000 -8.621) 15.018 2.874 ( -6.785 0.000 0.179) 6.787 2.943 ( -3.203 0.000 -1.754) 3.652 3.076 ( -4.635 0.000 -4.100) 6.188 3.297 ( 2.885 0.000 -4.745) 5.553 3.436 ( 0.125 0.000 -5.805) 5.807 3.461 ( -2.624 0.000 -3.235) 4.166 3.692 ( -0.940 0.000 -9.652) 9.698 3.707 ( -4.934 0.000 -14.933) 15.727 3.823 ( -1.095 0.000 -3.195) 3.377 4.247 ( -1.450 0.000 1.822) 2.329 4.421 ( -10.050 0.000 -13.761) 17.040 4.691 ( 0.770 0.000 0.787) 1.101 4.713 ( -0.955 0.000 0.241) 0.985 4.862 ( -4.094 0.000 9.279) 10.142 4.896 ( 0.397 0.000 4.197) 4.215 5.349 ( -2.393 0.000 7.872) 8.228 5.395 ( -10.975 0.000 -8.136) 13.662 5.482 ( -2.954 0.000 2.995) 4.206 5.579 ( 1.721 0.000 -4.452) 4.773 5.792 ( -2.516 0.000 -8.711) 9.067 5.817 ( -8.200 0.000 -4.637) 9.420 5.865 ( 3.022 0.000 -0.372) 3.045 6.005 ( -1.794 0.000 4.422) 4.772 6.139 ( 0.650 0.000 1.083) 1.263 6.221 ( 0.553 0.000 4.803) 4.835 6.355 ( -4.417 0.000 7.812) 8.974 6.407 ( 10.022 0.000 21.057) 23.320 6.626 ( -1.172 0.000 -1.859) 2.198 6.775 ( 5.078 0.000 5.157) 7.237 7.459 ( 5.588 0.000 3.232) 6.455 7.587 ( -3.160 0.000 -4.077) 5.158 7.640 ( -8.979 0.000 4.765) 10.165 7.794 ( -0.683 0.000 1.835) 1.958 8.077 ( -2.865 0.000 -0.233) 2.874 8.212 ( 0.652 0.000 -0.530) 0.841 8.488 ( 2.149 0.000 1.990) 2.929 8.625 ( -6.373 0.000 -2.298) 6.774 8.764 ( -3.390 0.000 0.563) 3.436 9.085 ( 2.850 0.000 -2.894) 4.062 9.593 ( -6.139 0.000 4.106) 7.385 9.622 ( -5.832 0.000 3.117) 6.613 9.765 ( 0.971 0.000 3.238) 3.381 9.779 ( -0.402 0.000 2.753) 2.782 10.568 ( 3.243 0.000 -0.301) 3.257 10.581 ( 3.775 0.000 0.020) 3.775 11.323 ( 1.936 0.000 -0.418) 1.980 11.336 ( 2.145 0.000 -1.863) 2.841 11.839 ( -3.213 0.000 -2.520) 4.084 11.946 ( -0.546 0.000 -2.576) 2.633 12.526 ( -12.322 0.000 -1.471) 12.409 12.526 ( -11.316 0.000 -0.099) 11.316 12.652 ( 7.685 0.000 2.638) 8.126 12.982 ( 1.872 0.000 -8.033) 8.248 13.515 ( 12.275 0.000 -1.919) 12.424 13.829 ( 14.274 0.000 0.794) 14.296 13.856 ( 15.149 0.000 -0.117) 15.149 14.141 ( 21.535 0.000 -7.919) 22.945 14.674 ( 13.209 0.000 -0.565) 13.221 14.745 ( 15.226 0.000 -0.685) 15.242 15.000 ( -5.783 0.000 -0.829) 5.842 15.217 ( -6.427 0.000 -10.161) 12.023 15.410 ( -4.925 0.000 -1.143) 5.056 15.438 ( -32.576 0.000 -11.151) 34.431 17.228 ( -21.985 0.000 0.455) 21.990 17.297 ( -24.069 0.000 -2.509) 24.199 19.514 ( 22.690 0.000 1.451) 22.737 19.645 ( 28.917 0.000 1.360) 28.949 21.496 ( 3.149 0.000 -0.414) 3.176 21.554 ( 1.297 0.000 -0.177) 1.309 22.052 ( -16.905 0.000 2.662) 17.114 22.126 ( -2.872 0.000 -0.826) 2.988 22.378 ( -1.027 0.000 2.652) 2.843 22.448 ( -9.578 0.000 9.478) 13.475 27.727 ( 0.152 0.000 0.080) 0.172 27.732 ( 0.146 0.000 0.032) 0.150 28.292 ( 3.057 0.000 0.342) 3.076 28.309 ( 2.252 0.000 0.223) 2.263 28.534 ( -21.844 0.000 -0.605) 21.853 28.876 ( -9.507 0.000 -2.680) 9.877 28.931 ( -7.451 0.000 -1.019) 7.520 29.184 ( -48.850 0.000 -39.550) 62.853 29.651 ( -7.571 0.000 6.722) 10.124 29.955 ( -3.702 0.000 -0.983) 3.831 30.234 ( -3.488 0.000 -1.000) 3.629 30.699 ( -0.247 0.000 -3.210) 3.219 31.090 ( 0.789 0.000 5.459) 5.516 31.832 ( 3.207 0.000 -10.612) 11.086 31.996 ( 5.435 0.000 0.956) 5.519 32.180 ( 3.692 0.000 6.643) 7.600 32.393 ( 23.812 0.000 15.200) 28.250 32.486 ( 5.376 0.000 0.614) 5.411 32.782 ( 20.921 0.000 10.685) 23.491 33.346 ( 10.204 0.000 -2.594) 10.528 ======================= Grid point 65 (29/96) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( -3.826 15.749 11.332) 19.775 0.887 ( -12.354 17.023 24.077) 31.971 1.145 ( 6.513 15.589 12.870) 21.238 1.403 ( -0.600 0.200 11.616) 11.634 1.615 ( -4.389 -12.394 7.015) 14.903 1.661 ( -0.887 0.512 0.838) 1.323 1.794 ( 4.049 -2.205 2.298) 5.151 1.935 ( -4.056 -0.480 -2.880) 4.998 1.988 ( -2.149 -2.320 -1.571) 3.531 2.096 ( 0.012 3.210 -0.008) 3.210 2.199 ( -0.645 7.178 1.475) 7.357 2.448 ( 2.042 0.203 -6.065) 6.403 2.497 ( -0.647 1.669 -1.572) 2.382 2.649 ( -0.089 -1.261 -3.484) 3.706 2.720 ( 1.138 -9.525 2.026) 9.805 2.749 ( 7.281 -8.754 0.408) 11.394 2.969 ( -0.889 3.770 0.101) 3.875 3.094 ( -5.220 4.220 -10.171) 12.186 3.308 ( -0.295 -2.752 -4.650) 5.411 3.393 ( 4.308 -1.466 -6.633) 8.044 3.494 ( 1.462 3.419 -4.249) 5.646 3.589 ( 1.869 -5.950 -10.561) 12.265 3.753 ( 3.546 0.468 -9.964) 10.587 3.882 ( 2.454 2.319 -9.763) 10.330 4.218 ( 2.271 -4.605 -1.117) 5.255 4.290 ( 3.222 -3.023 -3.309) 5.520 4.651 ( -4.228 -1.749 0.566) 4.610 4.704 ( -3.933 -2.702 -0.345) 4.785 4.798 ( 0.884 4.973 6.874) 8.530 5.000 ( 1.167 0.245 3.285) 3.495 5.075 ( -10.031 3.977 5.658) 12.184 5.274 ( -3.754 -2.597 6.859) 8.239 5.482 ( -0.087 4.203 2.967) 5.145 5.643 ( 1.554 0.296 -1.369) 2.092 5.734 ( 0.075 1.579 -7.855) 8.012 5.794 ( 1.991 -3.555 -3.557) 5.409 5.861 ( 0.613 -2.140 -3.644) 4.270 5.923 ( -2.189 -3.739 -0.001) 4.333 6.104 ( 4.106 -2.799 2.765) 5.687 6.143 ( -1.492 -0.907 2.112) 2.741 6.386 ( 2.618 4.832 11.448) 12.699 6.549 ( 3.413 -8.393 20.195) 22.134 6.817 ( 2.407 7.721 -5.215) 9.624 6.954 ( -0.030 1.836 3.477) 3.932 7.428 ( -2.657 2.701 2.338) 4.452 7.498 ( -3.311 -0.444 6.084) 6.941 7.514 ( 0.428 -3.658 0.587) 3.730 7.718 ( -2.178 -6.600 1.550) 7.121 8.084 ( 1.758 3.598 -2.806) 4.890 8.238 ( 2.445 -3.071 -1.230) 4.114 8.438 ( -2.931 -1.496 0.398) 3.315 8.548 ( -1.658 -3.585 -5.530) 6.795 8.848 ( 3.487 7.987 4.345) 9.738 9.162 ( 4.268 -3.211 0.744) 5.393 9.543 ( 0.301 1.383 2.560) 2.925 9.575 ( 0.683 0.105 2.958) 3.038 9.743 ( -2.024 -0.606 3.936) 4.467 9.757 ( -1.027 -0.663 3.885) 4.073 10.593 ( -0.509 0.047 -0.964) 1.091 10.613 ( -1.064 -0.338 -1.404) 1.794 11.354 ( 0.798 -0.041 -0.215) 0.827 11.375 ( 1.076 -0.625 -0.767) 1.462 11.823 ( -1.240 1.832 -2.419) 3.278 11.918 ( -2.317 -1.824 -3.478) 4.560 12.395 ( 1.094 0.185 -0.325) 1.157 12.413 ( 1.532 -0.237 -0.066) 1.552 12.828 ( -1.126 5.687 -2.010) 6.136 12.942 ( 10.590 -1.592 0.792) 10.738 13.749 ( 4.053 4.479 -4.661) 7.630 13.922 ( -7.688 -3.764 -3.860) 9.389 14.008 ( -5.108 1.452 -0.997) 5.403 14.034 ( -2.585 -0.582 -2.644) 3.744 14.714 ( -0.570 0.956 0.772) 1.355 14.749 ( 0.248 -0.452 0.034) 0.517 14.952 ( -0.396 0.579 -0.823) 1.082 14.975 ( -0.228 -0.404 -0.830) 0.951 15.383 ( 0.249 0.909 0.078) 0.946 15.424 ( 0.169 -0.673 -0.384) 0.793 17.014 ( -0.739 3.161 -1.828) 3.726 17.143 ( 9.156 -3.022 -2.899) 10.068 19.837 ( 1.045 3.407 1.347) 3.810 19.988 ( 0.715 -4.996 0.834) 5.115 21.524 ( 0.553 0.090 -0.610) 0.828 21.532 ( -0.271 -0.373 -0.465) 0.655 21.892 ( -1.981 5.938 1.339) 6.401 22.091 ( -2.191 -3.229 -0.384) 3.921 22.275 ( 1.547 -1.601 6.149) 6.539 22.392 ( 1.607 -2.535 3.188) 4.379 27.730 ( -0.046 0.089 -0.024) 0.103 27.733 ( -0.017 -0.094 0.086) 0.128 28.292 ( -0.458 0.421 -0.303) 0.692 28.298 ( -0.546 -0.025 -0.152) 0.568 28.326 ( -0.293 0.033 -0.005) 0.295 28.327 ( -0.379 -0.024 0.026) 0.380 28.817 ( 0.119 0.507 0.624) 0.813 28.853 ( 0.492 -0.682 -0.313) 0.897 29.801 ( 0.210 13.723 -3.146) 14.081 29.931 ( -0.295 1.603 -2.183) 2.724 30.233 ( -0.494 6.010 -3.032) 6.749 30.634 ( 0.496 -8.084 -4.437) 9.234 31.115 ( -0.467 2.109 6.497) 6.846 31.489 ( -2.888 -26.501 16.196) 31.192 31.959 ( 1.502 1.166 -3.508) 3.990 32.082 ( 1.160 -3.478 1.585) 3.994 32.583 ( 0.758 3.424 1.946) 4.011 32.717 ( -2.790 0.974 -2.974) 4.193 33.477 ( 0.105 7.595 -8.346) 11.285 33.512 ( 1.574 6.535 -7.535) 10.097 ======================= Grid point 66 (30/96) ======================= q-point: ( 0.10 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 23.465 12.044 3.442) 26.599 0.970 ( 15.017 15.342 12.721) 24.954 1.389 ( 10.358 -13.048 4.770) 17.329 1.578 ( 6.986 -2.245 7.986) 10.845 1.667 ( 8.529 4.137 6.058) 11.250 1.684 ( 6.462 -2.460 0.763) 6.957 1.843 ( 5.055 7.160 3.395) 9.399 1.882 ( 0.204 1.198 0.927) 1.528 1.922 ( -0.324 -5.906 -0.889) 5.981 2.140 ( 2.726 4.472 -1.349) 5.408 2.204 ( 0.723 4.884 -0.744) 4.993 2.489 ( 2.286 1.497 -3.886) 4.750 2.599 ( 6.773 1.775 0.544) 7.023 2.692 ( -0.800 2.431 -6.714) 7.186 2.847 ( 14.148 -7.387 4.704) 16.639 2.923 ( -3.011 2.562 -3.069) 5.005 2.957 ( 11.525 -6.098 -2.669) 13.309 3.020 ( -0.826 -1.931 -1.067) 2.356 3.295 ( -0.167 -2.043 -6.200) 6.530 3.400 ( -3.424 -3.654 -1.166) 5.142 3.502 ( 1.828 1.863 -6.561) 7.061 3.660 ( 1.138 -5.422 -1.348) 5.702 3.795 ( 2.603 -0.125 -10.607) 10.923 3.908 ( -1.157 -1.723 -14.015) 14.168 4.375 ( 10.276 0.400 1.312) 10.367 4.505 ( 17.832 3.120 2.242) 18.242 4.544 ( -2.656 -1.578 -5.559) 6.360 4.604 ( -3.157 -5.307 2.431) 6.636 4.836 ( 2.038 3.180 6.269) 7.319 4.943 ( -4.299 3.368 2.130) 5.862 5.084 ( 6.303 0.883 2.331) 6.778 5.229 ( -0.064 -2.854 4.193) 5.072 5.502 ( 1.680 4.204 1.839) 4.887 5.633 ( -1.838 1.518 -0.639) 2.467 5.759 ( 1.109 3.209 -7.127) 7.894 5.775 ( -4.674 -8.170 -2.012) 9.625 5.873 ( 2.325 -1.619 -0.796) 2.943 5.938 ( 3.476 -1.888 -4.634) 6.093 6.178 ( 5.462 3.902 2.060) 7.021 6.240 ( 7.975 -1.613 3.722) 8.948 6.458 ( 3.698 -1.189 8.133) 9.013 6.519 ( -5.606 -9.061 17.245) 20.272 6.747 ( -4.445 11.753 -6.189) 14.007 6.939 ( 0.405 8.703 5.553) 10.331 7.366 ( -7.574 -4.315 2.746) 9.139 7.559 ( 5.122 -5.865 4.324) 8.907 7.584 ( 7.948 1.391 0.916) 8.121 7.682 ( 1.626 -5.525 -0.337) 5.769 8.098 ( -2.211 8.044 -3.592) 9.083 8.310 ( 5.790 -4.107 -0.891) 7.154 8.394 ( -3.100 -0.301 2.052) 3.730 8.519 ( 3.347 -3.342 -4.511) 6.536 8.942 ( 5.383 6.037 4.392) 9.204 9.193 ( 0.150 -2.536 1.932) 3.192 9.585 ( 2.841 0.479 1.870) 3.435 9.610 ( 2.294 0.320 1.901) 2.996 9.764 ( 2.715 0.793 3.751) 4.698 9.784 ( 6.244 -0.069 4.762) 7.854 10.536 ( -6.197 -0.180 -1.715) 6.432 10.546 ( -4.483 -1.271 -0.445) 4.680 11.351 ( 0.232 0.317 -0.186) 0.435 11.376 ( 0.257 -0.631 -0.166) 0.702 11.767 ( -2.593 1.796 -3.056) 4.392 11.856 ( -2.742 -2.021 -3.533) 4.908 12.556 ( 12.572 0.372 -0.279) 12.580 12.591 ( 13.794 -0.544 0.452) 13.812 12.742 ( -6.185 6.317 1.963) 9.056 13.103 ( -4.346 -13.149 -2.605) 14.091 13.706 ( -10.350 2.187 -6.683) 12.513 13.745 ( -11.366 3.979 -4.150) 12.737 13.811 ( -15.626 0.625 0.391) 15.644 13.883 ( -15.351 -1.096 -4.129) 15.935 14.695 ( -12.964 0.610 -0.196) 12.980 14.713 ( -11.330 -0.098 -0.837) 11.361 15.007 ( 7.618 0.221 -0.755) 7.658 15.060 ( 17.751 -2.901 -6.106) 18.995 15.360 ( 4.659 1.152 -0.548) 4.831 15.416 ( 5.968 -1.204 -0.574) 6.115 17.270 ( 23.327 4.505 -1.176) 23.788 17.564 ( 26.257 -10.626 -6.580) 29.080 19.565 ( -23.490 2.097 1.267) 23.617 19.631 ( -27.964 -1.331 1.567) 28.039 21.520 ( -2.556 0.383 -0.138) 2.588 21.537 ( -1.656 -0.493 -0.696) 1.863 22.078 ( 16.917 5.180 0.860) 17.713 22.131 ( 4.533 2.855 3.691) 6.505 22.327 ( -0.314 -1.050 1.144) 1.584 22.455 ( 9.501 -5.170 8.032) 13.473 27.725 ( -0.290 0.117 0.007) 0.313 27.730 ( -0.169 -0.130 0.050) 0.219 28.286 ( -3.255 0.289 0.055) 3.268 28.294 ( -2.819 -0.102 -0.116) 2.823 28.543 ( 23.117 2.982 -1.670) 23.368 28.832 ( 30.510 -11.286 -12.125) 34.717 28.908 ( 9.269 -0.566 0.884) 9.328 28.974 ( 17.306 -4.744 -3.033) 18.199 29.877 ( 6.444 9.520 -3.593) 12.044 29.961 ( 3.340 1.768 -3.657) 5.259 30.263 ( 3.595 7.210 -2.730) 8.506 30.648 ( 0.900 -7.327 -5.838) 9.412 31.099 ( -1.146 1.522 6.029) 6.323 31.410 ( -4.862 -22.431 15.704) 27.810 31.947 ( -2.589 1.285 -2.512) 3.829 32.057 ( -3.669 -2.723 2.145) 5.047 32.544 ( -5.812 2.875 1.730) 6.711 32.571 ( -9.635 6.951 -0.991) 11.922 33.138 ( -26.643 13.524 0.940) 29.893 33.336 ( -14.151 1.051 -4.207) 14.800 ======================= Grid point 67 (31/96) ======================= q-point: ( 0.20 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 19.998 8.334 -2.820) 21.848 1.348 ( 21.166 5.512 7.406) 23.092 1.544 ( 2.486 -3.090 3.088) 5.027 1.616 ( 1.704 -2.843 3.434) 4.773 1.711 ( -0.438 0.754 -2.573) 2.716 1.782 ( 0.614 -2.716 2.189) 3.542 1.850 ( 6.974 -8.108 -4.872) 11.752 1.953 ( 1.935 -6.282 -2.200) 6.932 2.156 ( 1.306 3.183 -1.477) 3.744 2.212 ( 2.908 1.025 -0.517) 3.127 2.311 ( 13.798 10.191 7.642) 18.779 2.541 ( 2.591 1.180 -3.768) 4.722 2.596 ( -3.044 8.760 -4.189) 10.176 2.713 ( 5.102 -2.047 -0.543) 5.524 2.862 ( -0.748 -0.191 3.424) 3.510 2.920 ( -5.401 1.315 -3.271) 6.449 3.204 ( 1.838 -1.393 4.172) 4.767 3.237 ( 10.488 -1.818 5.179) 11.837 3.331 ( 1.806 -6.534 -5.283) 8.594 3.415 ( 18.568 -5.756 2.507) 19.600 3.555 ( 1.074 2.069 -4.066) 4.687 3.656 ( 1.373 -3.175 1.102) 3.631 3.840 ( 0.566 0.237 -7.084) 7.110 3.874 ( 0.350 -0.780 -11.809) 11.839 4.394 ( 2.795 -1.412 2.809) 4.206 4.519 ( 0.958 -5.963 -2.817) 6.664 4.648 ( -1.934 5.645 -2.918) 6.642 4.822 ( -5.248 4.759 1.479) 7.237 4.949 ( 15.495 1.491 0.729) 15.583 5.002 ( 12.526 2.078 -0.143) 12.698 5.229 ( 5.867 -3.071 1.177) 6.726 5.274 ( 5.138 -3.132 4.183) 7.328 5.531 ( -0.435 2.461 -0.761) 2.612 5.589 ( -2.149 -0.046 -0.953) 2.351 5.656 ( -4.016 -4.277 -5.042) 7.735 5.783 ( 2.595 2.958 -2.744) 4.797 5.975 ( 6.974 0.877 1.590) 7.206 6.048 ( 7.984 -1.328 -1.927) 8.319 6.317 ( 6.001 1.208 -0.920) 6.190 6.400 ( -2.030 -3.076 5.831) 6.898 6.447 ( 11.036 -1.660 5.982) 12.662 6.559 ( 5.079 -5.749 2.376) 8.031 6.705 ( 1.187 10.784 0.336) 10.854 6.964 ( 2.479 11.862 3.048) 12.496 7.239 ( -3.342 -7.347 3.107) 8.648 7.491 ( -5.523 -5.516 1.644) 7.977 7.852 ( 11.571 -1.385 -1.403) 11.738 7.869 ( 16.216 -1.169 1.258) 16.306 8.051 ( -0.430 7.834 -1.873) 8.066 8.274 ( -3.572 -2.443 4.008) 5.898 8.548 ( 12.987 0.604 -1.448) 13.082 8.648 ( 8.068 -1.982 -5.209) 9.806 9.065 ( 6.113 3.002 4.256) 8.031 9.211 ( 1.744 -2.468 3.788) 4.845 9.656 ( 4.999 0.394 -1.428) 5.214 9.683 ( 5.119 -0.642 -2.169) 5.597 9.878 ( 7.482 2.113 4.930) 9.205 9.947 ( 8.558 -0.872 5.686) 10.312 10.375 ( -8.650 0.186 -1.260) 8.744 10.405 ( -8.528 -1.246 0.235) 8.622 11.419 ( 6.867 -0.046 0.301) 6.874 11.431 ( 5.543 -0.498 0.561) 5.593 11.734 ( -1.212 0.952 -3.474) 3.800 11.805 ( -2.431 -1.968 -3.132) 4.427 12.531 ( -13.725 5.736 2.932) 15.162 12.829 ( 2.795 -0.616 -1.251) 3.124 12.845 ( -9.902 -7.079 0.571) 12.186 12.875 ( 8.124 -1.185 0.587) 8.231 13.349 ( -22.242 1.109 -3.561) 22.552 13.396 ( -21.309 1.008 0.615) 21.341 13.426 ( -18.105 0.950 -1.222) 18.171 13.481 ( -19.523 0.214 -2.805) 19.725 14.284 ( -24.626 0.674 -0.219) 24.637 14.311 ( -24.528 -0.473 -0.612) 24.540 14.960 ( -9.092 1.563 -0.158) 9.227 15.048 ( -10.181 -2.155 -2.115) 10.620 15.886 ( 33.272 0.110 -2.079) 33.337 15.956 ( 38.262 -3.608 -10.790) 39.918 17.862 ( 32.731 4.708 -0.353) 33.070 18.118 ( 27.773 -6.947 -2.391) 28.729 19.037 ( -25.821 0.993 0.488) 25.845 19.064 ( -25.338 -0.352 -0.266) 25.342 21.395 ( -9.877 0.612 0.282) 9.900 21.425 ( -9.402 -0.739 -0.737) 9.460 22.207 ( 4.302 2.700 2.399) 5.617 22.304 ( -0.152 0.633 0.415) 0.772 22.460 ( 16.460 4.151 2.984) 17.235 22.717 ( 12.271 -5.636 6.394) 14.940 27.722 ( 0.137 0.140 -0.027) 0.198 27.729 ( 0.148 -0.151 0.010) 0.211 28.198 ( -5.080 0.458 0.240) 5.107 28.215 ( -4.802 -0.274 -0.134) 4.811 29.098 ( 23.107 2.396 -2.453) 23.360 29.154 ( 21.566 4.896 -1.077) 22.141 29.165 ( 14.244 -1.254 -0.729) 14.318 29.603 ( 28.377 -17.348 -10.371) 34.839 30.013 ( 6.081 2.704 -2.517) 7.115 30.063 ( 6.568 0.758 -7.885) 10.291 30.382 ( 8.031 8.127 -2.220) 11.639 30.666 ( 1.220 -4.529 -5.391) 7.146 31.082 ( -0.564 1.062 5.705) 5.831 31.322 ( -3.865 -16.089 13.218) 21.178 31.853 ( -6.500 1.133 -1.203) 6.706 31.935 ( -8.309 -1.994 2.627) 8.940 32.293 ( -13.720 13.021 0.342) 18.918 32.422 ( -8.833 -0.191 4.433) 9.885 32.644 ( -20.077 10.050 1.379) 22.494 32.984 ( -18.810 -3.674 -4.276) 19.636 ======================= Grid point 68 (32/96) ======================= q-point: ( 0.30 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 4.918 0.054 2.403) 5.474 1.526 ( -0.267 -1.266 2.257) 2.602 1.617 ( -0.194 1.467 0.918) 1.742 1.699 ( 5.814 0.542 1.136) 5.949 1.726 ( -0.968 -1.014 -1.456) 2.020 1.840 ( 9.703 0.957 -4.968) 10.942 1.998 ( 4.669 -2.387 -1.750) 5.528 2.027 ( 4.037 -4.220 0.482) 5.860 2.176 ( 4.673 -0.773 -1.105) 4.864 2.295 ( 4.867 -3.767 -0.778) 6.204 2.386 ( -1.147 2.397 1.119) 2.883 2.520 ( -2.547 0.425 -1.061) 2.792 2.681 ( 5.209 7.672 2.638) 9.641 2.739 ( -0.822 1.551 -7.744) 7.940 2.800 ( -1.284 0.017 -5.788) 5.929 3.010 ( 9.669 -4.329 3.374) 11.118 3.222 ( 5.036 0.973 0.912) 5.210 3.311 ( -5.132 2.364 9.394) 10.962 3.331 ( -0.681 -3.678 1.480) 4.023 3.480 ( -3.945 -3.409 0.985) 5.306 3.734 ( 6.362 0.210 5.067) 8.136 3.806 ( 8.639 -0.934 6.401) 10.792 3.824 ( -2.945 1.117 -4.602) 5.577 3.893 ( 4.167 -0.519 -6.541) 7.773 4.517 ( -6.542 6.250 0.966) 9.099 4.626 ( 8.730 -0.375 -0.309) 8.744 4.654 ( 11.992 -1.554 -8.493) 14.777 4.726 ( 1.587 -0.015 -3.680) 4.008 4.998 ( -6.926 6.268 -7.534) 12.001 5.196 ( 5.716 -0.825 4.104) 7.085 5.239 ( -5.182 -3.776 -0.698) 6.450 5.358 ( -1.325 -0.388 0.769) 1.580 5.527 ( 6.270 -4.770 1.241) 7.975 5.581 ( -1.920 -0.982 -4.302) 4.812 5.661 ( 5.062 1.934 -3.241) 6.314 5.863 ( 3.239 -2.723 -0.107) 4.233 6.088 ( 2.217 7.810 6.794) 10.586 6.198 ( 5.113 1.388 4.776) 7.133 6.347 ( 0.565 -1.588 -4.756) 5.046 6.474 ( 3.618 -6.148 0.159) 7.135 6.630 ( 7.016 -3.186 5.320) 9.363 6.675 ( 5.408 -5.065 1.128) 7.495 6.874 ( 9.986 10.451 1.457) 14.528 7.099 ( 10.875 5.746 -0.349) 12.304 7.280 ( 7.976 -3.546 0.602) 8.749 7.451 ( 4.988 -1.048 -0.219) 5.102 7.989 ( 2.844 1.399 1.839) 3.664 8.087 ( 0.947 -0.730 -1.459) 1.886 8.241 ( 17.184 0.374 0.351) 17.191 8.321 ( 10.833 -0.001 1.905) 10.999 8.837 ( 14.554 -0.189 -4.150) 15.135 8.849 ( 13.036 -0.299 -4.546) 13.809 9.182 ( 5.128 1.682 4.916) 7.301 9.266 ( 3.513 -1.756 4.969) 6.333 9.802 ( 7.582 -0.369 -2.898) 8.125 9.816 ( 6.572 -0.501 -2.573) 7.076 10.032 ( 6.678 1.345 -0.173) 6.815 10.070 ( 1.329 -0.308 -1.775) 2.239 10.256 ( 0.496 0.910 2.432) 2.644 10.310 ( 4.070 -1.193 7.293) 8.436 11.589 ( 8.557 0.161 0.842) 8.600 11.607 ( 9.702 -0.329 0.207) 9.710 11.683 ( -3.995 0.489 -0.252) 4.033 11.740 ( -4.526 -1.870 -0.480) 4.921 12.199 ( -17.547 4.499 2.039) 18.229 12.423 ( -20.479 -5.372 -0.415) 21.176 12.609 ( -29.653 0.121 0.359) 29.655 12.615 ( -28.536 -0.191 -0.188) 28.538 13.019 ( -14.661 0.168 -3.660) 15.112 13.050 ( -17.502 -0.634 -0.401) 17.518 13.236 ( -3.972 1.131 0.712) 4.190 13.244 ( -6.235 1.049 -0.504) 6.342 13.838 ( -11.632 0.038 -0.312) 11.636 13.846 ( -14.358 -0.302 -0.354) 14.365 14.739 ( -11.965 1.268 -0.120) 12.032 14.799 ( -13.519 -1.297 -1.221) 13.636 16.576 ( 32.410 1.351 -2.295) 32.519 16.683 ( 32.319 -3.420 -8.776) 33.663 18.447 ( -1.913 0.585 0.796) 2.154 18.474 ( -11.678 -0.652 0.496) 11.707 18.666 ( 15.349 4.009 -0.555) 15.873 18.842 ( 22.097 -3.714 -1.740) 22.475 21.106 ( -18.511 0.838 0.662) 18.542 21.148 ( -17.731 -0.980 -0.640) 17.770 22.316 ( 6.272 0.966 1.045) 6.432 22.347 ( 4.613 0.875 0.018) 4.696 22.703 ( 6.825 3.268 2.458) 7.956 22.890 ( 3.978 -4.327 3.942) 7.078 27.735 ( 1.145 0.127 -0.090) 1.156 27.741 ( 1.082 -0.128 -0.019) 1.090 28.086 ( -5.722 0.450 0.305) 5.748 28.104 ( -5.827 -0.330 -0.126) 5.838 29.440 ( 16.165 0.674 -0.707) 16.194 29.475 ( 15.452 -0.751 -0.536) 15.480 29.712 ( 24.671 6.178 -3.499) 25.673 30.029 ( 11.868 -5.917 -0.835) 13.288 30.119 ( 4.521 1.134 -1.572) 4.919 30.235 ( 12.457 -6.985 -11.699) 18.462 30.572 ( 10.068 5.791 -1.323) 11.690 30.712 ( 3.990 -1.473 -2.247) 4.810 31.084 ( 0.346 0.933 5.644) 5.731 31.266 ( -2.046 -10.503 9.206) 14.116 31.685 ( -9.745 0.444 0.107) 9.756 31.723 ( -12.094 -0.793 2.364) 12.348 32.046 ( -9.613 11.108 0.645) 14.704 32.199 ( -11.753 -0.507 3.108) 12.167 32.330 ( -11.523 5.013 -1.265) 12.630 32.601 ( -17.929 -4.587 -3.791) 18.891 ======================= Grid point 69 (33/96) ======================= q-point: ( 0.40 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -1.951 0.218 3.409) 3.933 1.525 ( -1.066 -1.234 2.225) 2.759 1.618 ( 0.068 0.285 -0.043) 0.296 1.672 ( -1.671 -1.845 -0.707) 2.588 1.757 ( -0.124 4.423 -0.279) 4.433 1.983 ( 3.544 -4.303 -1.273) 5.718 2.070 ( 1.763 -3.350 0.294) 3.797 2.078 ( 2.791 -2.248 -1.881) 4.047 2.262 ( -2.631 0.696 0.032) 2.721 2.324 ( 1.085 -3.830 0.915) 4.085 2.452 ( 6.539 -1.261 1.139) 6.757 2.490 ( 0.871 -2.141 0.793) 2.444 2.676 ( -0.419 3.768 -3.446) 5.123 2.804 ( 2.012 -1.464 -1.196) 2.761 2.883 ( 8.578 4.287 -7.698) 12.297 3.102 ( -6.198 -0.711 5.581) 8.371 3.213 ( -4.707 -0.783 9.176) 10.342 3.292 ( 5.417 -0.240 3.527) 6.468 3.384 ( 6.106 -0.896 0.098) 6.172 3.474 ( 3.219 0.574 -1.337) 3.533 3.700 ( -2.149 -2.633 -7.050) 7.827 3.783 ( -8.347 -0.645 -8.564) 11.977 3.891 ( 3.170 3.519 5.871) 7.543 3.979 ( 0.534 0.707 -0.221) 0.913 4.443 ( 2.234 8.096 6.152) 10.411 4.651 ( 2.784 -0.956 2.983) 4.191 4.694 ( -10.868 10.533 -0.503) 15.143 4.912 ( 4.747 1.549 -7.239) 8.794 4.954 ( 7.517 -1.826 -7.439) 10.732 5.126 ( -1.614 -5.065 0.342) 5.327 5.286 ( 3.097 -2.135 4.697) 6.018 5.367 ( 2.039 0.166 2.294) 3.074 5.503 ( -4.616 2.799 -3.147) 6.249 5.646 ( 3.863 -8.650 -2.186) 9.723 5.815 ( 6.662 -1.735 -3.461) 7.705 5.876 ( 1.214 -3.169 -2.764) 4.376 6.102 ( -0.222 5.214 5.136) 7.322 6.291 ( 2.648 -0.900 3.303) 4.328 6.330 ( -0.910 3.573 -2.530) 4.471 6.510 ( 0.916 -1.166 2.287) 2.725 6.705 ( -0.197 -8.934 -1.104) 9.004 6.799 ( 6.973 -4.746 5.098) 9.856 7.001 ( 3.235 7.387 1.732) 8.249 7.139 ( -3.680 2.719 1.531) 4.825 7.595 ( 11.925 1.707 -2.932) 12.399 7.657 ( 12.268 1.092 -3.574) 12.824 8.054 ( 1.857 0.391 4.329) 4.727 8.073 ( 1.210 0.530 2.271) 2.627 8.533 ( 9.993 0.480 -0.114) 10.005 8.574 ( 10.782 -0.619 -2.791) 11.154 9.137 ( 13.140 -0.200 -8.752) 15.789 9.147 ( 13.015 -0.177 -7.994) 15.275 9.287 ( 5.218 1.244 4.600) 7.067 9.353 ( 4.514 -1.504 4.899) 6.829 9.807 ( -4.953 -0.464 0.454) 4.996 9.814 ( -5.439 -0.417 0.720) 5.502 10.261 ( 20.269 0.481 -4.831) 20.842 10.281 ( 20.230 -0.037 -3.942) 20.611 10.433 ( 13.833 2.196 4.569) 14.733 10.543 ( 15.275 -2.328 7.141) 17.022 11.474 ( -14.982 0.903 4.490) 15.666 11.526 ( -17.135 -0.621 7.329) 18.647 11.612 ( -21.794 0.534 1.994) 21.892 11.637 ( -23.189 -0.526 1.388) 23.237 11.894 ( 2.519 3.260 -1.211) 4.294 12.093 ( -0.497 -4.744 -0.657) 4.815 12.194 ( -3.306 0.404 -1.364) 3.599 12.225 ( -5.459 -1.562 -1.864) 5.977 12.681 ( -18.646 1.005 -0.231) 18.675 12.697 ( -15.770 0.396 -3.363) 16.129 12.885 ( -21.032 0.645 -0.066) 21.042 12.918 ( -21.025 -0.323 -1.105) 21.056 13.895 ( 12.825 0.594 0.073) 12.839 13.920 ( 12.628 -0.467 0.012) 12.637 14.478 ( -13.461 0.637 -0.289) 13.480 14.506 ( -14.975 -0.533 -0.747) 15.003 17.179 ( 26.457 1.445 -1.834) 26.560 17.266 ( 25.238 -2.367 -5.407) 25.919 18.070 ( -20.667 0.783 -1.101) 20.711 18.110 ( -18.879 -0.930 -1.590) 18.968 19.339 ( 35.352 3.089 1.015) 35.502 19.471 ( 33.053 -2.594 0.001) 33.154 20.641 ( -26.765 1.354 0.905) 26.815 20.703 ( -25.597 -1.284 -0.549) 25.635 22.460 ( 7.823 0.698 0.772) 7.892 22.488 ( 8.303 0.045 -0.183) 8.306 22.746 ( -2.082 2.612 1.421) 3.630 22.888 ( -3.736 -3.211 1.538) 5.161 27.770 ( 2.304 0.103 -0.118) 2.309 27.775 ( 2.245 -0.101 -0.042) 2.248 27.973 ( -5.067 0.337 0.237) 5.084 27.988 ( -5.242 -0.277 -0.136) 5.251 29.754 ( 13.882 0.341 -1.337) 13.951 29.768 ( 12.630 -0.231 -0.965) 12.669 30.000 ( 2.406 2.552 -2.395) 4.247 30.102 ( -2.325 -1.836 -1.836) 3.485 30.312 ( 15.128 2.791 -0.308) 15.386 30.512 ( 12.003 -6.724 -6.605) 15.261 30.768 ( 8.275 3.587 0.406) 9.028 30.850 ( 9.431 -0.875 0.616) 9.492 31.072 ( -2.411 1.590 4.934) 5.717 31.219 ( -4.086 -5.663 3.663) 7.885 31.467 ( -11.025 0.259 1.134) 11.086 31.489 ( -8.970 -1.187 2.129) 9.296 31.928 ( -1.195 6.150 0.049) 6.265 32.014 ( -5.542 0.154 -0.157) 5.546 32.128 ( -8.376 1.762 -0.356) 8.566 32.264 ( -14.603 -2.720 -2.412) 15.048 ======================= Grid point 70 (34/96) ======================= q-point: (-0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -1.680 0.318 3.108) 3.547 1.500 ( -1.170 -2.111 1.405) 2.793 1.613 ( -0.339 0.432 -1.646) 1.735 1.639 ( -0.722 -0.532 -0.474) 1.015 1.810 ( 4.302 3.069 3.508) 6.343 1.989 ( -1.554 -2.260 -1.432) 3.094 2.046 ( -3.148 -2.959 1.858) 4.703 2.120 ( 0.783 -4.101 -1.975) 4.618 2.221 ( -0.229 2.276 -0.980) 2.488 2.327 ( -1.102 -3.195 0.554) 3.424 2.480 ( -2.393 0.643 0.837) 2.615 2.564 ( 2.698 -3.131 -2.059) 4.618 2.705 ( 3.220 1.402 0.954) 3.639 2.840 ( 1.130 -7.209 0.517) 7.315 2.950 ( -4.759 1.089 5.928) 7.679 2.990 ( -3.198 0.651 1.658) 3.661 3.170 ( 3.772 3.261 1.217) 5.133 3.330 ( -5.166 1.840 -1.758) 5.759 3.415 ( -8.056 0.330 -7.652) 11.116 3.506 ( 2.497 0.375 -2.265) 3.392 3.614 ( -3.544 1.621 -7.416) 8.377 3.692 ( -1.559 -4.172 -8.768) 9.835 3.911 ( -1.638 1.466 1.905) 2.909 3.972 ( 3.641 0.912 3.741) 5.300 4.422 ( -5.870 17.368 -0.633) 18.344 4.682 ( 12.955 3.484 10.743) 17.187 4.803 ( 8.918 -0.450 6.928) 11.301 4.941 ( -0.010 -2.918 -2.093) 3.591 5.044 ( 1.989 -0.797 -4.259) 4.768 5.169 ( 2.501 -3.411 0.309) 4.241 5.303 ( -1.463 -1.661 1.718) 2.802 5.408 ( -0.002 -0.170 2.598) 2.603 5.450 ( 1.845 2.757 0.677) 3.385 5.673 ( 0.811 -9.226 -0.527) 9.276 5.869 ( 2.409 1.537 -5.466) 6.168 5.974 ( 2.644 -0.638 -3.497) 4.430 6.077 ( -1.883 1.100 -1.014) 2.405 6.239 ( -5.924 -2.706 1.299) 6.641 6.384 ( 5.337 -1.010 0.043) 5.432 6.528 ( -1.061 -2.736 4.091) 5.034 6.692 ( -1.227 -2.034 -0.530) 2.434 6.854 ( -2.455 -4.205 4.551) 6.665 7.040 ( 0.023 4.390 1.092) 4.524 7.063 ( -1.581 5.351 0.326) 5.589 7.670 ( -1.554 1.086 -3.070) 3.609 7.758 ( -4.520 -2.832 -4.177) 6.775 8.105 ( -0.032 3.158 3.343) 4.599 8.124 ( 5.180 2.292 3.861) 6.855 8.626 ( -0.718 2.103 -0.715) 2.334 8.719 ( 2.933 -2.247 -2.878) 4.683 9.209 ( -5.467 0.276 -8.745) 10.317 9.212 ( -5.158 0.234 -9.085) 10.450 9.394 ( 1.043 1.229 1.042) 1.919 9.471 ( 3.247 -2.131 -0.766) 3.958 9.707 ( -1.555 -0.014 2.075) 2.593 9.730 ( -2.153 -0.816 2.215) 3.196 10.654 ( 1.153 0.150 -1.255) 1.711 10.686 ( -0.794 -1.435 -1.394) 2.152 10.798 ( 4.039 0.801 1.974) 4.566 10.812 ( 1.044 0.067 1.326) 1.689 10.989 ( 0.131 1.945 2.198) 2.938 11.052 ( 1.823 -0.679 1.343) 2.364 11.292 ( 0.653 0.065 10.563) 10.583 11.312 ( -2.776 -0.674 9.893) 10.298 12.088 ( 5.808 0.162 -1.242) 5.942 12.165 ( -6.450 -3.397 0.488) 7.306 12.200 ( -2.108 -0.091 -2.282) 3.108 12.230 ( -1.594 -1.116 -1.024) 2.198 12.383 ( -1.396 4.057 -1.140) 4.439 12.484 ( 4.109 -1.059 -2.546) 4.948 12.619 ( -1.101 1.120 -2.055) 2.586 12.666 ( 0.979 -0.794 -1.031) 1.628 14.164 ( -3.155 0.024 0.113) 3.157 14.168 ( -4.881 -0.216 -0.021) 4.886 14.225 ( 3.376 0.288 -0.557) 3.434 14.227 ( 4.342 0.265 -0.467) 4.375 17.633 ( -20.114 1.537 -2.281) 20.301 17.668 ( 19.376 1.102 -1.108) 19.439 17.717 ( -15.111 -2.020 -3.282) 15.595 17.728 ( 15.839 -1.472 -2.647) 16.126 20.019 ( -12.788 1.564 0.986) 12.921 20.042 ( 11.892 2.766 0.891) 12.242 20.080 ( -9.637 -1.027 0.126) 9.692 20.165 ( 8.876 -2.429 -0.609) 9.223 22.601 ( 0.963 -0.992 1.847) 2.307 22.610 ( -0.631 -0.759 1.200) 1.554 22.689 ( 2.471 3.266 0.229) 4.102 22.793 ( -2.201 -1.745 -0.975) 2.973 27.811 ( 0.222 0.034 -0.037) 0.228 27.812 ( -0.043 -0.020 -0.072) 0.086 27.905 ( -0.135 0.339 0.124) 0.385 27.920 ( 0.151 -0.313 -0.097) 0.361 29.909 ( -4.736 0.339 -3.492) 5.894 29.924 ( -3.607 -0.290 -3.578) 5.089 30.001 ( 4.826 1.015 0.675) 4.977 30.051 ( 3.666 -1.132 0.088) 3.837 30.529 ( 0.975 2.414 0.915) 2.759 30.671 ( 2.780 -4.294 -1.723) 5.397 30.855 ( 0.777 4.210 -0.662) 4.332 31.014 ( -1.402 0.666 2.879) 3.271 31.032 ( 2.435 -2.993 -1.231) 4.050 31.090 ( -4.743 -1.799 1.969) 5.442 31.329 ( 0.216 1.111 1.827) 2.149 31.385 ( -0.806 -1.593 3.003) 3.493 31.972 ( 0.570 0.218 -0.447) 0.757 31.992 ( -4.058 -0.793 -0.754) 4.203 32.014 ( 3.258 2.096 -0.453) 3.900 32.050 ( 0.904 0.806 -1.007) 1.575 ======================= Grid point 71 (35/96) ======================= q-point: (-0.40 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -0.229 0.150 2.060) 2.078 1.487 ( -0.043 -2.913 0.652) 2.985 1.608 ( -0.007 1.970 -1.310) 2.366 1.654 ( 1.685 -1.604 -1.134) 2.588 1.841 ( -3.313 -0.994 0.568) 3.505 1.946 ( -4.617 0.215 -2.376) 5.198 2.000 ( 2.117 -1.058 0.846) 2.513 2.136 ( 0.623 -4.016 -0.610) 4.110 2.239 ( 0.293 1.372 -0.890) 1.661 2.267 ( -3.986 -0.407 -1.851) 4.414 2.381 ( -7.110 1.568 -0.947) 7.342 2.546 ( -2.146 -6.604 -0.000) 6.944 2.776 ( -2.014 1.469 3.449) 4.255 2.834 ( -2.449 4.412 1.691) 5.322 2.872 ( 2.397 -2.338 -0.412) 3.374 2.929 ( -2.702 -2.196 -1.658) 3.856 3.097 ( -8.809 6.016 -3.925) 11.367 3.167 ( -12.713 1.251 -6.463) 14.317 3.327 ( 5.996 -0.392 1.374) 6.164 3.544 ( 1.541 -1.679 1.041) 2.506 3.578 ( -0.858 -2.030 -4.176) 4.722 3.679 ( -0.355 2.652 -4.725) 5.429 3.885 ( -0.835 -0.006 4.609) 4.684 4.037 ( 0.744 -0.775 1.303) 1.688 4.419 ( 5.042 13.631 0.586) 14.546 4.872 ( -4.116 1.671 0.085) 4.443 4.918 ( 2.078 -0.238 5.669) 6.042 4.943 ( 1.232 -7.392 -3.400) 8.229 5.120 ( 8.582 -1.296 1.337) 8.782 5.199 ( 2.579 -1.893 2.293) 3.936 5.303 ( 2.873 -0.341 3.015) 4.178 5.410 ( 1.195 -0.187 4.113) 4.287 5.522 ( 3.590 -0.141 -0.582) 3.640 5.729 ( 1.668 -0.528 1.760) 2.482 5.889 ( 0.065 1.119 -1.359) 1.761 5.905 ( -7.376 3.400 -0.789) 8.161 6.076 ( -3.222 -5.523 -3.646) 7.361 6.090 ( -5.204 -3.568 1.446) 6.473 6.403 ( -5.916 3.812 0.943) 7.101 6.524 ( 1.794 0.391 3.426) 3.887 6.586 ( -7.430 -3.901 -1.524) 8.529 6.795 ( -3.401 -9.245 1.859) 10.025 6.980 ( -3.029 8.695 1.350) 9.306 7.093 ( 1.246 2.562 0.291) 2.864 7.534 ( -14.465 -1.321 -4.646) 15.250 7.552 ( -10.970 -0.944 -3.262) 11.484 8.083 ( -1.665 5.074 3.547) 6.411 8.196 ( 1.195 0.046 3.098) 3.321 8.511 ( -10.044 3.023 -1.039) 10.540 8.655 ( -10.289 -2.853 -1.835) 10.834 9.023 ( -10.126 0.629 -9.677) 14.021 9.043 ( -10.518 0.732 -9.301) 14.059 9.230 ( -12.095 1.715 3.852) 12.809 9.331 ( -12.921 -2.831 2.439) 13.450 9.787 ( 5.251 -0.289 0.215) 5.264 9.803 ( 7.050 -0.881 0.543) 7.126 10.215 ( -22.140 0.566 -1.381) 22.190 10.230 ( -22.389 -0.118 -2.961) 22.584 10.603 ( -13.685 0.194 4.865) 14.526 10.617 ( -11.167 -0.342 5.380) 12.400 11.480 ( 21.799 2.189 5.223) 22.523 11.562 ( 18.458 -0.232 1.758) 18.543 11.603 ( 19.794 -1.282 6.334) 20.822 11.627 ( 16.640 -1.049 2.418) 16.847 11.951 ( 0.370 0.661 1.594) 1.765 12.034 ( 0.167 -3.045 -3.069) 4.326 12.160 ( 5.018 0.191 -3.361) 6.042 12.172 ( 2.605 -0.069 -2.485) 3.601 12.650 ( 17.592 3.390 -1.335) 17.965 12.778 ( 18.149 -2.689 -0.449) 18.352 12.858 ( 19.094 1.797 -1.883) 19.271 12.913 ( 20.244 -1.034 -0.694) 20.282 13.883 ( -12.682 0.355 -0.212) 12.689 13.899 ( -12.296 -0.306 -0.692) 12.319 14.490 ( 13.160 0.716 0.097) 13.179 14.516 ( 14.876 -0.394 -0.511) 14.890 17.136 ( -26.843 2.433 -3.362) 27.162 17.282 ( -23.124 -3.978 -4.849) 23.959 18.085 ( 19.755 0.698 -0.650) 19.778 18.119 ( 18.494 -0.784 -1.273) 18.555 19.316 ( -35.827 3.068 0.398) 35.960 19.418 ( -34.891 -1.472 -1.218) 34.943 20.635 ( 26.118 1.784 0.645) 26.187 20.717 ( 25.327 -1.706 0.002) 25.384 22.463 ( -7.840 -0.082 0.592) 7.862 22.504 ( -8.716 -2.284 0.163) 9.012 22.784 ( 3.254 2.604 2.297) 4.759 22.853 ( 3.670 -0.766 0.953) 3.869 27.775 ( -2.218 0.013 -0.088) 2.220 27.775 ( -2.231 0.004 0.045) 2.232 27.973 ( 5.244 0.446 0.189) 5.267 27.993 ( 5.507 -0.409 0.046) 5.522 29.714 ( -13.413 -0.058 -2.105) 13.577 29.716 ( -12.242 -0.114 -2.478) 12.491 30.050 ( -3.224 1.818 -0.524) 3.739 30.134 ( 0.584 -2.115 -1.036) 2.426 30.327 ( -14.744 4.501 -0.770) 15.435 30.569 ( -11.670 -6.969 -5.003) 14.484 30.815 ( -7.871 4.750 1.230) 9.275 30.970 ( -5.494 -2.350 -3.809) 7.087 30.989 ( 2.717 1.420 2.756) 4.122 31.113 ( 3.978 -5.514 10.097) 12.173 31.460 ( 9.750 0.561 1.247) 9.845 31.477 ( 7.776 -0.410 0.496) 7.803 31.928 ( 1.598 4.503 0.514) 4.806 32.003 ( 4.402 -0.490 -1.143) 4.575 32.123 ( 8.509 3.553 -0.721) 9.250 32.298 ( 15.833 -3.100 -1.110) 16.172 ======================= Grid point 72 (36/96) ======================= q-point: (-0.30 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -2.118 0.787 0.233) 2.271 1.491 ( -0.139 -2.700 1.048) 2.900 1.600 ( -0.943 1.692 -0.724) 2.068 1.641 ( -9.499 -2.610 -1.326) 9.940 1.717 ( -2.038 -3.090 -0.821) 3.791 1.866 ( -0.829 -3.414 -2.343) 4.222 2.014 ( -12.877 6.225 -0.232) 14.305 2.063 ( 0.470 1.869 1.273) 2.310 2.170 ( -1.017 0.657 -3.752) 3.943 2.232 ( -3.919 -1.220 -2.179) 4.647 2.299 ( 0.872 3.179 -0.290) 3.309 2.552 ( 1.281 -6.530 1.198) 6.761 2.623 ( -6.479 1.940 -1.691) 6.971 2.716 ( -7.302 -1.482 -4.016) 8.464 2.883 ( -6.037 2.463 -3.557) 7.427 2.958 ( 3.319 2.063 -3.126) 5.004 3.019 ( 5.048 3.168 -0.772) 6.009 3.098 ( 4.763 3.075 -1.561) 5.881 3.416 ( 1.273 -1.427 8.091) 8.313 3.521 ( -5.228 3.251 -0.193) 6.160 3.570 ( -0.890 -5.771 -1.532) 6.037 3.641 ( -1.704 -2.837 0.841) 3.414 3.881 ( -0.238 0.848 -1.144) 1.444 4.011 ( -2.836 -0.037 -0.131) 2.839 4.543 ( 4.700 3.165 -2.608) 6.238 4.682 ( -12.719 -0.236 -1.198) 12.778 4.843 ( -5.761 -1.541 4.126) 7.252 4.936 ( -1.482 -5.473 -0.193) 5.673 5.239 ( -3.660 1.549 -3.140) 5.065 5.287 ( -0.524 -3.971 1.992) 4.474 5.366 ( 1.951 -0.121 6.120) 6.425 5.435 ( -0.134 -1.122 4.742) 4.875 5.538 ( -6.604 6.981 -3.299) 10.160 5.618 ( -2.199 6.072 1.217) 6.571 5.720 ( -8.589 -2.269 1.886) 9.082 5.881 ( -0.193 -5.390 -2.703) 6.033 5.997 ( 2.144 -2.799 8.349) 9.063 6.076 ( -1.232 -6.076 -3.554) 7.146 6.289 ( -8.021 6.903 1.826) 10.739 6.392 ( -2.246 2.122 -3.090) 4.370 6.599 ( -4.899 -3.250 -2.621) 6.437 6.638 ( -8.621 -4.696 4.114) 10.644 6.842 ( -12.569 8.639 0.868) 15.276 7.043 ( -9.861 1.997 -2.877) 10.464 7.266 ( -3.447 -3.197 1.312) 4.882 7.377 ( -2.613 -2.032 -2.080) 3.909 8.027 ( -4.868 3.884 2.953) 6.892 8.138 ( -9.311 -1.381 0.799) 9.447 8.300 ( -6.117 2.413 0.580) 6.601 8.368 ( -13.485 -0.669 0.154) 13.503 8.752 ( -12.821 4.117 -6.086) 14.777 8.880 ( -6.916 -1.676 -7.452) 10.304 9.037 ( -7.495 0.823 2.458) 7.931 9.106 ( -7.757 -2.741 3.993) 9.145 9.819 ( -3.834 0.220 -3.064) 4.912 9.837 ( -6.077 -0.584 -3.715) 7.146 9.927 ( -6.443 0.503 1.865) 6.726 9.964 ( -4.432 -0.819 1.333) 4.700 10.400 ( -3.408 0.978 4.935) 6.076 10.446 ( -3.716 -1.045 5.041) 6.349 11.518 ( -10.502 -0.616 -1.392) 10.611 11.522 ( -10.662 -0.616 -1.363) 10.766 11.876 ( 9.721 0.295 4.924) 10.901 11.908 ( 6.644 0.094 5.047) 8.344 12.081 ( 11.125 2.313 -2.955) 11.741 12.244 ( 19.116 -4.388 -5.218) 20.296 12.619 ( 29.148 0.206 0.690) 29.157 12.633 ( 29.117 -0.383 0.545) 29.124 12.993 ( 16.645 4.572 -2.355) 17.421 13.124 ( 12.866 -1.329 0.171) 12.936 13.165 ( 4.748 1.285 -1.844) 5.253 13.254 ( 9.704 -2.909 -0.427) 10.140 13.836 ( 12.299 0.226 -0.391) 12.307 13.839 ( 14.236 0.088 -0.567) 14.248 14.745 ( 11.679 1.374 0.099) 11.760 14.806 ( 13.348 -1.214 -1.137) 13.451 16.528 ( -32.293 3.104 -4.173) 32.709 16.753 ( -28.730 -7.185 -7.118) 30.458 18.420 ( -2.830 0.919 -0.157) 2.980 18.431 ( 0.749 0.140 0.270) 0.809 18.663 ( -11.074 3.605 -0.598) 11.661 18.776 ( -15.462 -1.478 -3.111) 15.841 21.091 ( 18.230 1.449 0.177) 18.288 21.159 ( 17.655 -1.460 -0.109) 17.716 22.315 ( -6.952 -1.169 -0.722) 7.086 22.344 ( -5.542 -1.338 1.033) 5.794 22.769 ( -5.500 2.948 3.789) 7.300 22.858 ( -4.069 -1.018 3.745) 5.623 27.740 ( -1.142 0.018 0.088) 1.145 27.741 ( -1.047 -0.022 -0.038) 1.048 28.091 ( 6.033 0.583 0.418) 6.076 28.116 ( 6.157 -0.473 0.214) 6.179 29.413 ( -15.413 0.339 -1.271) 15.469 29.433 ( -14.741 -0.527 -2.106) 14.900 29.732 ( -25.421 5.153 -2.356) 26.045 30.000 ( -13.070 -5.915 -1.802) 14.459 30.163 ( -4.479 1.978 -0.946) 4.986 30.301 ( -12.090 -6.360 -9.794) 16.809 30.619 ( -10.140 6.902 -0.898) 12.299 30.821 ( -7.442 -2.780 -2.774) 8.415 31.046 ( 2.131 1.490 4.882) 5.531 31.255 ( 8.149 -11.586 15.140) 20.733 31.631 ( 7.062 0.763 -2.707) 7.602 31.669 ( 10.052 -0.543 0.471) 10.078 32.074 ( 11.944 9.030 3.155) 15.302 32.158 ( 10.228 0.336 -0.885) 10.272 32.327 ( 10.990 6.604 -0.965) 12.858 32.651 ( 18.259 -5.069 -1.883) 19.043 ======================= Grid point 73 (37/96) ======================= q-point: (-0.20 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -18.641 7.051 -0.794) 19.946 1.390 ( -15.148 5.055 5.706) 16.958 1.472 ( -2.551 -5.066 1.689) 5.919 1.594 ( 0.822 -1.699 2.437) 3.082 1.733 ( 0.414 0.834 -1.805) 2.031 1.743 ( -7.079 5.079 -0.217) 8.715 1.907 ( 3.163 -3.465 0.785) 4.757 2.005 ( -6.387 -1.567 0.419) 6.590 2.133 ( -7.907 3.275 4.075) 9.479 2.177 ( 0.559 3.332 -2.059) 3.957 2.320 ( 0.839 4.022 -0.624) 4.156 2.474 ( -5.668 1.138 -1.747) 6.040 2.615 ( 0.552 -6.426 -0.124) 6.451 2.624 ( -1.360 -5.264 0.078) 5.437 2.808 ( 1.101 2.814 -5.219) 6.030 3.007 ( -3.022 -2.144 -5.042) 6.257 3.104 ( 0.466 7.126 1.007) 7.212 3.209 ( 4.810 2.213 -8.397) 9.927 3.352 ( -9.640 -1.112 5.220) 11.019 3.395 ( -4.986 -0.323 -3.821) 6.291 3.484 ( -1.126 -0.797 0.184) 1.392 3.660 ( 0.431 -10.595 2.217) 10.833 3.847 ( -2.663 2.139 -4.690) 5.803 3.905 ( -7.648 2.225 -7.101) 10.671 4.391 ( -14.847 -3.863 3.603) 15.759 4.512 ( -8.476 -10.766 -4.003) 14.275 4.763 ( -0.717 6.460 1.883) 6.767 4.869 ( -10.192 0.710 -2.558) 10.532 4.973 ( -5.635 4.646 -0.214) 7.306 5.043 ( -16.782 -0.980 0.243) 16.812 5.380 ( -1.039 -0.681 7.395) 7.498 5.415 ( 0.190 -3.728 1.182) 3.915 5.521 ( 2.080 2.983 -1.260) 3.849 5.636 ( -0.264 7.147 -1.103) 7.236 5.724 ( 3.102 -7.553 4.286) 9.222 5.841 ( -5.011 -3.098 -5.057) 7.764 5.984 ( -5.012 -5.942 0.962) 7.833 6.026 ( -3.488 -4.652 -2.373) 6.280 6.214 ( 2.662 7.378 8.482) 11.553 6.221 ( -15.011 4.861 -3.077) 16.076 6.372 ( -2.196 -1.783 6.164) 6.782 6.486 ( -14.398 -7.368 -0.488) 16.181 6.734 ( 5.733 10.279 1.470) 11.861 6.874 ( -5.432 9.423 -1.787) 11.023 7.307 ( 5.038 -4.842 3.546) 7.836 7.447 ( 6.178 -5.432 0.062) 8.227 7.862 ( -10.731 1.710 1.137) 10.925 7.909 ( -9.859 -0.062 0.518) 9.873 8.186 ( -4.963 2.207 3.050) 6.229 8.245 ( -2.005 0.066 0.638) 2.105 8.551 ( -6.228 4.781 -1.276) 7.955 8.723 ( -8.046 -3.707 -4.655) 10.008 8.902 ( -5.485 2.088 -0.491) 5.890 9.025 ( -0.719 -3.139 0.851) 3.331 9.732 ( -4.276 1.025 0.953) 4.499 9.738 ( -2.736 0.895 -1.310) 3.163 9.801 ( -6.432 -1.149 3.219) 7.284 9.824 ( -7.815 -1.281 3.601) 8.700 10.463 ( 6.372 0.362 1.442) 6.543 10.479 ( 5.081 -0.283 2.184) 5.538 11.342 ( -5.469 -0.767 -1.556) 5.738 11.349 ( -5.045 -0.780 -2.084) 5.514 11.906 ( -1.684 0.828 0.275) 1.896 11.955 ( -0.371 -0.829 0.419) 1.001 12.427 ( 16.886 3.979 0.343) 17.352 12.640 ( 14.657 -5.132 -4.539) 16.179 12.814 ( -10.820 0.395 -1.508) 10.931 12.834 ( -7.751 -1.280 -0.017) 7.856 13.296 ( 16.607 6.003 -2.901) 17.896 13.418 ( 22.757 -0.602 0.180) 22.765 13.448 ( 23.683 1.524 0.308) 23.734 13.605 ( 21.902 -4.790 -1.499) 22.470 14.275 ( 24.221 0.911 -0.634) 24.247 14.307 ( 24.943 -0.467 -0.529) 24.953 14.959 ( 8.630 1.571 -0.153) 8.773 15.052 ( 10.273 -2.289 -2.153) 10.743 15.848 ( -32.081 2.140 -3.582) 32.351 16.092 ( -35.755 -10.569 -9.347) 38.438 17.850 ( -30.963 4.364 -1.290) 31.296 17.907 ( -32.059 0.463 -3.690) 32.275 19.021 ( 24.738 1.087 0.089) 24.762 19.068 ( 25.003 -0.941 -0.433) 25.024 21.378 ( 9.881 1.192 -0.186) 9.955 21.434 ( 9.291 -1.293 -0.199) 9.383 22.191 ( -4.634 0.136 0.021) 4.636 22.286 ( -0.683 -1.005 1.536) 1.958 22.553 ( -15.350 2.917 4.239) 16.189 22.681 ( -12.972 -1.918 6.323) 14.558 27.727 ( -0.215 0.045 0.123) 0.252 27.730 ( -0.135 -0.083 0.015) 0.159 28.209 ( 5.249 0.586 0.512) 5.306 28.232 ( 4.894 -0.390 0.320) 4.920 29.107 ( -15.251 0.770 -1.534) 15.347 29.134 ( -18.492 1.200 -4.609) 19.095 29.151 ( -23.420 3.652 1.178) 23.733 29.590 ( -26.769 -17.320 -9.487) 33.265 30.050 ( -6.830 2.771 -2.911) 7.925 30.091 ( -8.345 1.546 -8.479) 11.997 30.420 ( -8.681 7.977 -2.599) 12.072 30.697 ( -4.329 -4.192 -2.377) 6.478 31.084 ( 1.538 2.253 6.403) 6.960 31.415 ( 6.154 -20.055 17.360) 27.230 31.770 ( 6.700 1.704 -4.722) 8.372 31.863 ( 8.644 -2.251 0.428) 8.943 32.342 ( 10.968 4.339 2.504) 12.058 32.435 ( 17.603 4.054 4.265) 18.561 32.567 ( 13.892 16.880 -1.750) 21.932 33.028 ( 18.200 -4.231 -2.596) 18.864 ======================= Grid point 74 (38/96) ======================= q-point: (-0.10 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -20.048 15.384 4.415) 25.654 1.061 ( -11.193 17.599 13.668) 24.937 1.379 ( -10.034 -8.956 4.788) 14.276 1.566 ( -12.585 1.336 10.509) 16.450 1.669 ( -4.393 5.834 1.226) 7.405 1.693 ( 2.797 4.001 3.789) 6.179 1.817 ( -11.034 -2.634 7.582) 13.645 1.958 ( 2.030 -0.633 1.384) 2.537 1.983 ( -0.277 -0.684 -0.459) 0.869 2.164 ( -3.510 -0.922 0.040) 3.630 2.270 ( -5.783 4.786 3.853) 8.438 2.420 ( 0.736 2.217 -6.901) 7.285 2.596 ( -3.195 -2.641 2.259) 4.721 2.642 ( 2.034 -8.349 0.745) 8.625 2.783 ( -11.859 -5.924 0.098) 13.257 2.811 ( -7.591 -3.136 -10.166) 13.070 2.984 ( -3.292 3.879 0.443) 5.106 3.190 ( -3.504 8.990 -3.635) 10.311 3.300 ( 4.192 -4.381 -8.334) 10.306 3.349 ( -2.224 -1.105 -3.075) 3.952 3.492 ( -3.224 -0.460 -6.207) 7.009 3.632 ( -0.723 -7.830 -6.631) 10.287 3.732 ( -5.651 4.472 -13.360) 15.180 3.824 ( 1.889 1.447 -6.404) 6.831 4.193 ( -1.967 -3.961 2.870) 5.272 4.328 ( -6.223 -8.964 -8.265) 13.689 4.719 ( -3.456 0.861 0.632) 3.617 4.748 ( -1.607 2.694 -0.830) 3.244 4.819 ( -3.565 2.227 7.495) 8.594 4.982 ( 0.717 2.622 2.405) 3.630 5.316 ( -9.087 -4.329 0.711) 10.090 5.348 ( -3.860 -2.120 6.756) 8.064 5.514 ( -2.639 3.614 2.268) 5.016 5.608 ( 0.029 2.086 -2.260) 3.076 5.752 ( 0.004 -2.317 -6.354) 6.763 5.780 ( -0.806 -4.322 -0.848) 4.477 5.859 ( -2.658 0.247 -3.673) 4.540 5.974 ( -2.139 -5.679 -1.879) 6.353 6.073 ( -1.771 1.045 3.170) 3.779 6.247 ( -8.359 -7.121 -0.587) 10.996 6.345 ( 3.206 5.673 10.216) 12.117 6.378 ( 6.955 0.479 19.684) 20.882 6.791 ( -1.837 11.909 -2.374) 12.281 6.868 ( 5.887 6.477 2.173) 9.018 7.440 ( 6.513 -2.969 1.878) 7.400 7.523 ( -0.735 -5.237 0.090) 5.290 7.643 ( -10.075 0.772 3.737) 10.774 7.767 ( -3.863 -3.089 2.512) 5.548 8.107 ( -3.328 3.110 -1.068) 4.678 8.210 ( -0.417 -0.746 -0.869) 1.219 8.489 ( -1.418 1.049 0.670) 1.887 8.582 ( -4.249 -3.140 -3.397) 6.281 8.826 ( -1.649 5.425 1.131) 5.781 9.060 ( 3.894 -3.561 0.128) 5.279 9.602 ( -6.104 0.968 3.482) 7.093 9.629 ( -6.107 0.358 3.424) 7.011 9.752 ( 0.708 -0.823 2.909) 3.105 9.770 ( -0.241 -1.001 2.656) 2.849 10.568 ( 3.096 0.229 -0.088) 3.105 10.582 ( 3.832 -0.043 -0.017) 3.832 11.312 ( 1.930 -0.590 -0.841) 2.186 11.328 ( 2.273 -0.781 -1.843) 3.029 11.854 ( -2.612 1.784 -1.775) 3.628 11.939 ( -0.657 -1.261 -1.944) 2.408 12.533 ( -11.505 0.572 -0.383) 11.525 12.534 ( -12.773 0.658 -1.513) 12.879 12.697 ( 9.245 4.436 1.109) 10.314 12.913 ( 4.461 -6.099 -4.680) 8.888 13.598 ( 11.505 7.672 -4.289) 14.479 13.818 ( 14.118 -1.422 0.064) 14.190 13.866 ( 14.918 1.086 -0.210) 14.959 14.045 ( 16.564 -8.822 -6.618) 19.899 14.680 ( 12.876 0.669 -0.670) 12.911 14.728 ( 13.300 -1.584 -0.806) 13.418 15.004 ( -6.571 0.611 -0.955) 6.668 15.123 ( -14.757 -7.314 -6.580) 17.736 15.385 ( -10.228 -0.371 -1.229) 10.309 15.424 ( -10.438 -1.174 -1.967) 10.687 17.297 ( -21.754 4.164 -3.531) 22.428 17.310 ( -23.813 1.227 -2.732) 24.001 19.537 ( 23.703 2.127 0.769) 23.810 19.622 ( 27.315 -2.068 1.216) 27.421 21.504 ( 2.866 0.804 -0.478) 3.015 21.543 ( 1.501 -1.018 -0.280) 1.835 22.102 ( -9.378 4.969 3.092) 11.054 22.182 ( -10.025 5.073 -0.392) 11.243 22.340 ( 1.545 -4.311 3.888) 6.007 22.387 ( -13.344 -5.172 6.966) 15.916 27.727 ( 0.162 0.057 0.083) 0.191 27.731 ( 0.141 -0.111 0.058) 0.188 28.296 ( 2.945 0.363 0.298) 2.982 28.307 ( 2.361 -0.160 0.229) 2.378 28.560 ( -23.581 2.938 -1.258) 23.797 28.849 ( -26.387 -8.552 -12.135) 30.277 28.912 ( -11.769 -2.980 -0.785) 12.165 28.941 ( -17.063 -6.024 -2.373) 18.250 29.881 ( -7.409 11.374 -5.806) 14.764 29.974 ( -3.726 1.687 -2.172) 4.631 30.284 ( -4.435 6.610 -2.788) 8.434 30.641 ( -1.272 -6.540 -2.984) 7.300 31.111 ( 0.719 2.470 6.777) 7.249 31.500 ( 1.470 -25.676 16.582) 30.600 31.892 ( 5.022 1.412 -4.386) 6.816 32.011 ( 5.579 -3.554 0.971) 6.686 32.514 ( 5.913 3.719 1.553) 7.156 32.680 ( 6.321 -2.324 -0.749) 6.776 33.054 ( 30.739 24.326 0.471) 39.203 33.358 ( 12.921 0.538 -3.354) 13.360 ======================= Grid point 75 (39/96) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -3.839 -22.153 2.272) 22.598 0.887 ( -3.839 22.153 2.272) 22.598 1.263 ( -5.240 -19.585 14.993) 25.215 1.263 ( -5.240 19.585 14.993) 25.215 1.656 ( 0.412 -3.504 4.296) 5.559 1.656 ( 0.412 3.504 4.296) 5.559 1.882 ( -1.488 -6.743 -2.899) 7.489 1.882 ( -1.488 6.743 -2.899) 7.489 2.051 ( 1.358 -8.463 3.038) 9.094 2.051 ( 1.358 8.463 3.038) 9.094 2.348 ( -1.593 -11.218 4.585) 12.223 2.348 ( -1.593 11.218 4.585) 12.223 2.554 ( 3.922 -1.703 -3.118) 5.292 2.554 ( 3.922 1.703 -3.118) 5.292 2.628 ( 2.270 -2.916 1.177) 3.878 2.628 ( 2.270 2.916 1.177) 3.878 3.076 ( -5.215 -5.741 -8.116) 11.226 3.076 ( -5.215 5.741 -8.116) 11.226 3.321 ( 1.966 -4.373 -5.910) 7.611 3.321 ( 1.966 4.373 -5.910) 7.611 3.537 ( 3.497 -1.645 -7.045) 8.036 3.537 ( 3.497 1.645 -7.045) 8.036 3.833 ( 0.379 -6.445 -12.545) 14.109 3.833 ( 0.379 6.445 -12.545) 14.109 4.210 ( 5.637 -3.777 1.214) 6.892 4.210 ( 5.637 3.777 1.214) 6.892 4.659 ( -4.804 -2.088 0.185) 5.241 4.659 ( -4.804 2.088 0.185) 5.241 4.912 ( -0.580 -6.538 5.252) 8.407 4.912 ( -0.580 6.538 5.252) 8.407 5.193 ( -4.315 -6.005 5.249) 9.068 5.193 ( -4.315 6.005 5.249) 9.068 5.587 ( 0.875 -6.247 2.767) 6.889 5.587 ( 0.875 6.247 2.767) 6.889 5.737 ( 0.042 -0.729 -5.844) 5.890 5.737 ( 0.042 0.729 -5.844) 5.890 5.883 ( 0.334 -1.728 -3.734) 4.128 5.883 ( 0.334 1.728 -3.734) 4.128 6.101 ( 2.728 -2.194 2.000) 4.032 6.101 ( 2.728 2.194 2.000) 4.032 6.449 ( 0.243 -3.357 16.900) 17.232 6.449 ( 0.243 3.357 16.900) 17.232 6.957 ( 1.396 -3.921 -0.370) 4.178 6.957 ( 1.396 3.921 -0.370) 4.178 7.444 ( -1.243 -1.482 0.800) 2.094 7.444 ( -1.243 1.482 0.800) 2.094 7.580 ( -2.886 -7.519 2.890) 8.557 7.580 ( -2.886 7.519 2.890) 8.557 8.161 ( 2.589 -4.704 -1.993) 5.727 8.161 ( 2.589 4.704 -1.993) 5.727 8.472 ( -3.247 -3.916 -3.799) 6.349 8.472 ( -3.247 3.916 -3.799) 6.349 9.026 ( 4.020 -10.014 5.154) 11.958 9.026 ( 4.020 10.014 5.154) 11.958 9.567 ( 0.528 -0.968 2.772) 2.983 9.567 ( 0.528 0.968 2.772) 2.983 9.744 ( -0.829 -0.577 3.953) 4.080 9.744 ( -0.829 0.577 3.953) 4.080 10.602 ( -1.020 -0.736 -1.453) 1.922 10.602 ( -1.020 0.736 -1.453) 1.922 11.362 ( 1.094 -0.698 -0.705) 1.476 11.362 ( 1.094 0.698 -0.705) 1.476 11.870 ( -2.025 -2.987 -2.663) 4.485 11.870 ( -2.025 2.987 -2.663) 4.485 12.406 ( 1.106 -0.627 -0.557) 1.388 12.406 ( 1.106 0.627 -0.557) 1.388 12.902 ( 2.819 -2.830 -0.530) 4.029 12.902 ( 2.819 2.830 -0.530) 4.029 13.838 ( -0.485 -5.015 -6.294) 8.062 13.838 ( -0.485 5.015 -6.294) 8.062 14.025 ( -1.441 -0.521 -1.373) 2.057 14.025 ( -1.441 0.521 -1.373) 2.057 14.735 ( -0.146 -1.077 0.422) 1.166 14.735 ( -0.146 1.077 0.422) 1.166 14.964 ( -0.337 -0.665 -0.804) 1.096 14.964 ( -0.337 0.665 -0.804) 1.096 15.405 ( 0.106 -1.285 0.042) 1.290 15.405 ( 0.106 1.285 0.042) 1.290 17.079 ( 1.779 -3.726 -2.765) 4.970 17.079 ( 1.779 3.726 -2.765) 4.970 19.905 ( 0.955 -4.017 1.188) 4.297 19.905 ( 0.955 4.017 1.188) 4.297 21.527 ( 0.108 -0.201 -0.637) 0.677 21.527 ( 0.108 0.201 -0.637) 0.677 22.000 ( -2.453 -5.681 1.963) 6.492 22.000 ( -2.453 5.681 1.963) 6.492 22.320 ( 2.122 -4.463 4.257) 6.523 22.320 ( 2.122 4.463 4.257) 6.523 27.731 ( -0.023 -0.074 0.037) 0.086 27.731 ( -0.023 0.074 0.037) 0.086 28.296 ( -0.501 -0.118 -0.222) 0.560 28.296 ( -0.501 0.118 -0.222) 0.560 28.327 ( -0.316 -0.035 0.014) 0.318 28.327 ( -0.316 0.035 0.014) 0.318 28.834 ( 0.367 -1.157 0.167) 1.225 28.834 ( 0.367 1.157 0.167) 1.225 29.933 ( -0.300 -2.403 -2.663) 3.600 29.933 ( -0.300 2.403 -2.663) 3.600 30.428 ( -0.061 -13.017 -4.231) 13.688 30.428 ( -0.061 13.017 -4.231) 13.688 31.197 ( -1.329 -7.936 11.103) 13.712 31.197 ( -1.329 7.936 11.103) 13.712 32.012 ( 1.493 -3.817 -2.935) 5.041 32.012 ( 1.493 3.817 -2.935) 5.041 32.662 ( -0.385 -4.672 1.782) 5.016 32.662 ( -0.385 4.672 1.782) 5.016 33.558 ( 0.019 -1.845 -7.745) 7.962 33.558 ( 0.019 1.845 -7.745) 7.962 ======================= Grid point 77 (40/96) ======================= q-point: ( 0.10 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 16.626 -17.002 1.427) 23.822 1.033 ( 16.626 17.002 1.427) 23.822 1.340 ( 8.494 -16.244 9.316) 20.562 1.340 ( 8.494 16.244 9.316) 20.562 1.686 ( 1.533 -1.246 -0.922) 2.180 1.686 ( 1.533 1.246 -0.922) 2.180 1.848 ( -1.635 -1.996 -0.469) 2.623 1.848 ( -1.635 1.996 -0.469) 2.623 2.153 ( 6.542 -5.545 0.462) 8.588 2.153 ( 6.542 5.545 0.462) 8.588 2.365 ( 4.831 -17.124 5.921) 18.752 2.365 ( 4.831 17.124 5.921) 18.752 2.639 ( 2.934 -6.047 -1.597) 6.908 2.639 ( 2.934 6.047 -1.597) 6.908 2.824 ( 16.590 -5.319 2.832) 17.651 2.824 ( 16.590 5.319 2.832) 17.651 2.991 ( -3.670 -4.254 -8.234) 9.968 2.991 ( -3.670 4.254 -8.234) 9.968 3.296 ( -3.455 -3.514 -2.731) 5.634 3.296 ( -3.455 3.514 -2.731) 5.634 3.581 ( 1.117 -4.279 -5.212) 6.835 3.581 ( 1.117 4.279 -5.212) 6.835 3.839 ( 0.517 -4.259 -12.069) 12.809 3.839 ( 0.517 4.259 -12.069) 12.809 4.431 ( 8.153 -5.459 3.040) 10.272 4.431 ( 8.153 5.459 3.040) 10.272 4.572 ( 4.924 -1.702 -1.732) 5.490 4.572 ( 4.924 1.702 -1.732) 5.490 4.909 ( -0.879 -4.273 5.362) 6.913 4.909 ( -0.879 4.273 5.362) 6.913 5.157 ( 1.101 -4.792 2.340) 5.446 5.157 ( 1.101 4.792 2.340) 5.446 5.608 ( 0.347 -6.501 2.090) 6.837 5.608 ( 0.347 6.501 2.090) 6.837 5.708 ( -2.230 -3.896 -4.439) 6.313 5.708 ( -2.230 3.896 -4.439) 6.313 5.919 ( 3.468 -2.845 -4.631) 6.447 5.919 ( 3.468 2.845 -4.631) 6.447 6.214 ( 7.555 -1.561 2.175) 8.015 6.214 ( 7.555 1.561 2.175) 8.015 6.430 ( -1.789 -0.908 13.467) 13.616 6.430 ( -1.789 0.908 13.467) 13.616 6.966 ( -0.893 -8.465 -0.898) 8.559 6.966 ( -0.893 8.465 -0.898) 8.559 7.399 ( -4.436 -8.982 3.229) 10.525 7.399 ( -4.436 8.982 3.229) 10.525 7.611 ( 7.596 -2.290 1.020) 7.999 7.611 ( 7.596 2.290 1.020) 7.999 8.223 ( 0.875 -5.253 -2.076) 5.715 8.223 ( 0.875 5.253 -2.076) 5.715 8.438 ( 2.733 -4.324 -2.615) 5.745 8.438 ( 2.733 4.324 -2.615) 5.745 9.084 ( 1.987 -8.179 5.063) 9.822 9.084 ( 1.987 8.179 5.063) 9.822 9.602 ( 2.120 -1.016 1.717) 2.911 9.602 ( 2.120 1.016 1.717) 2.911 9.778 ( 4.845 -0.592 4.161) 6.414 9.778 ( 4.845 0.592 4.161) 6.414 10.534 ( -5.542 -0.112 -1.339) 5.702 10.534 ( -5.542 0.112 -1.339) 5.702 11.362 ( 0.212 -0.798 -0.174) 0.843 11.362 ( 0.212 0.798 -0.174) 0.843 11.810 ( -2.787 -2.716 -3.166) 5.017 11.810 ( -2.787 2.716 -3.166) 5.017 12.573 ( 13.138 -1.188 -0.103) 13.192 12.573 ( 13.138 1.188 -0.103) 13.192 12.891 ( -5.199 -9.770 0.642) 11.086 12.891 ( -5.199 9.770 0.642) 11.086 13.749 ( -10.985 -1.996 -5.810) 12.586 13.749 ( -10.985 1.996 -5.810) 12.586 13.850 ( -15.795 -2.483 -1.730) 16.083 13.850 ( -15.795 2.483 -1.730) 16.083 14.707 ( -12.125 -0.546 -0.526) 12.149 14.707 ( -12.125 0.546 -0.526) 12.149 15.020 ( 11.259 -1.297 -2.054) 11.518 15.020 ( 11.259 1.297 -2.054) 11.518 15.388 ( 5.121 -1.707 -0.390) 5.412 15.388 ( 5.121 1.707 -0.390) 5.412 17.387 ( 24.950 -8.117 -3.022) 26.411 17.387 ( 24.950 8.117 -3.022) 26.411 19.602 ( -25.378 -1.849 1.120) 25.470 19.602 ( -25.378 1.849 1.120) 25.470 21.528 ( -2.056 -0.490 -0.521) 2.177 21.528 ( -2.056 0.490 -0.521) 2.177 22.150 ( 12.261 -1.984 2.631) 12.696 22.150 ( 12.261 1.984 2.631) 12.696 22.355 ( 3.632 -4.604 4.099) 7.155 22.355 ( 3.632 4.604 4.099) 7.155 27.728 ( -0.235 -0.149 0.042) 0.282 27.728 ( -0.235 0.149 0.042) 0.282 28.291 ( -3.030 -0.241 -0.048) 3.040 28.291 ( -3.030 0.241 -0.048) 3.040 28.637 ( 28.757 -7.673 -4.271) 30.068 28.637 ( 28.757 7.673 -4.271) 30.068 28.928 ( 8.987 -1.784 0.402) 9.171 28.928 ( 8.987 1.784 0.402) 9.171 29.965 ( 3.301 -1.872 -3.159) 4.937 29.965 ( 3.301 1.872 -3.159) 4.937 30.459 ( 3.082 -12.141 -4.239) 13.224 30.459 ( 3.082 12.141 -4.239) 13.224 31.163 ( -2.028 -6.534 10.209) 12.290 31.163 ( -2.028 6.534 10.209) 12.290 31.997 ( -2.966 -3.457 -1.694) 4.860 31.997 ( -2.966 3.457 -1.694) 4.860 32.588 ( -6.666 -2.076 2.058) 7.278 32.588 ( -6.666 2.076 2.058) 7.278 33.315 ( -20.455 -4.632 -4.769) 21.508 33.315 ( -20.455 4.632 -4.769) 21.508 ======================= Grid point 79 (41/96) ======================= q-point: ( 0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 13.373 -10.190 1.194) 16.855 1.414 ( 13.373 10.190 1.194) 16.855 1.500 ( 9.851 -8.933 6.535) 14.817 1.500 ( 9.851 8.933 6.535) 14.817 1.726 ( 2.464 -3.683 -3.246) 5.493 1.726 ( 2.464 3.683 -3.246) 5.493 1.835 ( 1.760 -5.828 -1.157) 6.197 1.835 ( 1.760 5.828 -1.157) 6.197 2.201 ( -0.425 -1.746 -2.839) 3.360 2.201 ( -0.425 1.746 -2.839) 3.360 2.489 ( 1.845 -7.080 1.472) 7.463 2.489 ( 1.845 7.080 1.472) 7.463 2.711 ( 5.540 -1.509 1.185) 5.863 2.711 ( 5.540 1.509 1.185) 5.863 2.893 ( -4.994 -4.896 -4.637) 8.391 2.893 ( -4.994 4.896 -4.637) 8.391 3.213 ( 5.896 -4.224 3.269) 7.956 3.213 ( 5.896 4.224 3.269) 7.956 3.279 ( 13.637 -6.330 1.990) 15.166 3.279 ( 13.637 6.330 1.990) 15.166 3.606 ( 1.719 -2.660 -2.704) 4.165 3.606 ( 1.719 2.660 -2.704) 4.165 3.852 ( 1.400 -1.204 -8.818) 9.009 3.852 ( 1.400 1.204 -8.818) 9.009 4.417 ( 2.293 -3.962 0.625) 4.620 4.417 ( 2.293 3.962 0.625) 4.620 4.774 ( -3.336 -6.721 -2.434) 7.888 4.774 ( -3.336 6.721 -2.434) 7.888 5.020 ( 15.698 -2.312 5.248) 16.713 5.020 ( 15.698 2.312 5.248) 16.713 5.215 ( 3.239 -2.192 0.300) 3.922 5.215 ( 3.239 2.192 0.300) 3.922 5.559 ( -4.053 -1.939 -2.024) 4.928 5.559 ( -4.053 1.939 -2.024) 4.928 5.704 ( 1.998 -7.337 -3.308) 8.292 5.704 ( 1.998 7.337 -3.308) 8.292 6.037 ( 8.520 -2.164 -0.844) 8.831 6.037 ( 8.520 2.164 -0.844) 8.831 6.331 ( 1.050 -2.599 5.532) 6.201 6.331 ( 1.050 2.599 5.532) 6.201 6.472 ( 8.094 -3.452 2.218) 9.074 6.472 ( 8.094 3.452 2.218) 9.074 6.940 ( 0.048 -12.269 1.003) 12.310 6.940 ( 0.048 12.269 1.003) 12.310 7.310 ( -2.707 -12.374 2.540) 12.919 7.310 ( -2.707 12.374 2.540) 12.919 7.848 ( 13.718 -0.776 -0.118) 13.740 7.848 ( 13.718 0.776 -0.118) 13.740 8.192 ( -1.572 -6.473 0.447) 6.676 8.192 ( -1.572 6.473 0.447) 6.676 8.592 ( 10.567 -3.506 -2.987) 11.527 8.592 ( 10.567 3.506 -2.987) 11.527 9.140 ( 3.513 -4.664 4.521) 7.385 9.140 ( 3.513 4.664 4.521) 7.385 9.668 ( 4.912 -0.879 -1.926) 5.349 9.668 ( 4.912 0.879 -1.926) 5.349 9.920 ( 7.955 -2.099 5.304) 9.789 9.920 ( 7.955 2.099 5.304) 9.789 10.384 ( -8.352 -0.881 -0.583) 8.419 10.384 ( -8.352 0.881 -0.583) 8.419 11.422 ( 6.161 -0.402 0.586) 6.201 11.422 ( 6.161 0.402 0.586) 6.201 11.764 ( -2.033 -2.164 -3.267) 4.414 11.764 ( -2.033 2.164 -3.267) 4.414 12.671 ( -14.932 -9.060 1.738) 17.552 12.671 ( -14.932 9.060 1.738) 17.552 12.852 ( 9.353 -1.302 0.118) 9.444 12.852 ( 9.353 1.302 0.118) 9.444 13.377 ( -22.900 -1.719 -2.588) 23.110 13.377 ( -22.900 1.719 -2.588) 23.110 13.467 ( -18.071 -1.879 -1.422) 18.224 13.467 ( -18.071 1.879 -1.422) 18.224 14.299 ( -24.714 -0.840 -0.542) 24.734 14.299 ( -24.714 0.840 -0.542) 24.734 15.000 ( -9.278 -2.667 -1.049) 9.710 15.000 ( -9.278 2.667 -1.049) 9.710 15.902 ( 35.837 -1.860 -5.003) 36.233 15.902 ( 35.837 1.860 -5.003) 36.233 17.978 ( 31.283 -7.481 -1.685) 32.209 17.978 ( 31.283 7.481 -1.685) 32.209 19.054 ( -25.776 -0.756 0.059) 25.787 19.054 ( -25.776 0.756 0.059) 25.787 21.410 ( -9.671 -0.884 -0.283) 9.715 21.410 ( -9.671 0.884 -0.283) 9.715 22.269 ( 2.267 -3.462 3.178) 5.218 22.269 ( 2.267 3.462 3.178) 5.218 22.585 ( 13.903 -8.040 2.898) 16.320 22.585 ( 13.903 8.040 2.898) 16.320 27.726 ( 0.145 -0.200 0.001) 0.247 27.726 ( 0.145 0.200 0.001) 0.247 28.208 ( -4.952 -0.498 0.030) 4.977 28.208 ( -4.952 0.498 0.030) 4.977 29.135 ( 15.653 -1.827 -1.389) 15.820 29.135 ( 15.653 1.827 -1.389) 15.820 29.318 ( 29.898 -12.688 -4.693) 32.816 29.318 ( 29.898 12.688 -4.693) 32.816 30.051 ( 4.795 -1.632 -3.636) 6.235 30.051 ( 4.795 1.632 -3.636) 6.235 30.543 ( 5.064 -8.437 -3.505) 10.446 30.543 ( 5.064 8.437 -3.505) 10.446 31.132 ( -1.117 -5.337 8.981) 10.506 31.132 ( -1.117 5.337 8.981) 10.506 31.891 ( -7.327 -2.563 -0.208) 7.766 31.891 ( -7.327 2.563 -0.208) 7.766 32.404 ( -11.029 -2.198 2.563) 11.534 32.404 ( -11.029 2.198 2.563) 11.534 32.861 ( -21.456 -10.170 -2.897) 23.920 32.861 ( -21.456 10.170 -2.897) 23.920 ======================= Grid point 81 (42/96) ======================= q-point: ( 0.30 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 1.055 -0.944 3.249) 3.544 1.507 ( 1.055 0.944 3.249) 3.544 1.651 ( 0.337 -2.917 1.588) 3.338 1.651 ( 0.337 2.917 1.588) 3.338 1.800 ( 5.238 -5.238 -1.737) 7.609 1.800 ( 5.238 5.238 -1.737) 7.609 1.969 ( 6.617 -1.412 -1.486) 6.927 1.969 ( 6.617 1.412 -1.486) 6.927 2.216 ( 4.014 -4.163 -2.128) 6.162 2.216 ( 4.014 4.163 -2.128) 6.162 2.461 ( -2.625 -4.834 0.996) 5.590 2.461 ( -2.625 4.834 0.996) 5.590 2.771 ( -1.930 -2.033 -8.714) 9.154 2.771 ( -1.930 2.033 -8.714) 9.154 2.870 ( 6.088 -9.764 3.574) 12.049 2.870 ( 6.088 9.764 3.574) 12.049 3.267 ( 4.418 -3.289 -0.138) 5.509 3.267 ( 4.418 3.289 -0.138) 5.509 3.393 ( -5.207 -5.075 6.643) 9.848 3.393 ( -5.207 5.075 6.643) 9.848 3.765 ( 7.923 -2.241 3.372) 8.898 3.765 ( 7.923 2.241 3.372) 8.898 3.864 ( 2.214 -2.191 -4.397) 5.389 3.864 ( 2.214 2.191 -4.397) 5.389 4.609 ( 5.473 -1.872 -1.574) 5.995 4.609 ( 5.473 1.872 -1.574) 5.995 4.664 ( 3.754 -4.383 -4.361) 7.234 4.664 ( 3.754 4.383 -4.361) 7.234 5.136 ( -5.756 -6.041 0.161) 8.346 5.136 ( -5.756 6.041 0.161) 8.346 5.267 ( 2.582 -7.006 1.592) 7.634 5.267 ( 2.582 7.006 1.592) 7.634 5.532 ( 1.474 -3.250 -3.046) 4.692 5.532 ( 1.474 3.250 -3.046) 4.692 5.756 ( 2.701 -7.078 -3.108) 8.189 5.756 ( 2.701 7.078 -3.108) 8.189 6.191 ( 3.389 -3.172 6.732) 8.177 6.191 ( 3.389 3.172 6.732) 8.177 6.377 ( 5.064 -5.382 -1.599) 7.561 6.377 ( 5.064 5.382 -1.599) 7.561 6.607 ( 3.225 -1.665 2.000) 4.144 6.607 ( 3.225 1.665 2.000) 4.144 7.050 ( 7.794 -8.150 1.250) 11.346 7.050 ( 7.794 8.150 1.250) 11.346 7.359 ( 10.245 -7.774 0.421) 12.867 7.359 ( 10.245 7.774 0.421) 12.867 8.038 ( 2.320 -3.552 -0.098) 4.244 8.038 ( 2.320 3.552 -0.098) 4.244 8.289 ( 12.820 -3.281 0.790) 13.257 8.289 ( 12.820 3.281 0.790) 13.257 8.840 ( 13.943 -0.478 -4.179) 14.564 8.840 ( 13.943 0.478 -4.179) 14.564 9.223 ( 4.311 -2.611 4.886) 7.020 9.223 ( 4.311 2.611 4.886) 7.020 9.804 ( 6.793 -0.562 -2.795) 7.367 9.804 ( 6.793 0.562 -2.795) 7.367 10.057 ( 4.060 -1.162 -1.372) 4.440 10.057 ( 4.060 1.162 -1.372) 4.440 10.282 ( 2.426 -1.718 5.166) 5.960 10.282 ( 2.426 1.718 5.166) 5.960 11.597 ( 9.434 -0.629 0.930) 9.500 11.597 ( 9.434 0.629 0.930) 9.500 11.704 ( -4.238 -1.770 -0.717) 4.649 11.704 ( -4.238 1.770 -0.717) 4.649 12.306 ( -19.138 -6.671 1.216) 20.304 12.306 ( -19.138 6.671 1.216) 20.304 12.611 ( -29.042 -0.170 0.160) 29.043 12.611 ( -29.042 0.170 0.160) 29.043 13.032 ( -15.504 -1.064 -2.446) 15.732 13.032 ( -15.504 1.064 -2.446) 15.732 13.252 ( -5.799 -0.295 0.084) 5.807 13.252 ( -5.799 0.295 0.084) 5.807 13.840 ( -13.019 -0.254 -0.347) 13.027 13.840 ( -13.019 0.254 -0.347) 13.027 14.769 ( -12.676 -1.826 -0.680) 12.825 14.769 ( -12.676 1.826 -0.680) 12.825 16.618 ( 32.764 -3.138 -4.948) 33.284 16.618 ( 32.764 3.138 -4.948) 33.284 18.460 ( -7.911 -0.771 0.510) 7.965 18.460 ( -7.911 0.771 0.510) 7.965 18.756 ( 20.051 -5.273 -1.469) 20.785 18.756 ( 20.051 5.273 -1.469) 20.785 21.126 ( -18.094 -1.250 -0.002) 18.137 21.126 ( -18.094 1.250 -0.002) 18.137 22.341 ( 5.138 -1.292 1.603) 5.535 22.341 ( 5.138 1.292 1.603) 5.535 22.791 ( 5.462 -5.795 2.266) 8.279 22.791 ( 5.462 5.795 2.266) 8.279 27.738 ( 1.115 -0.180 -0.050) 1.131 27.738 ( 1.115 0.180 -0.050) 1.131 28.096 ( -5.794 -0.545 0.076) 5.821 28.096 ( -5.794 0.545 0.076) 5.821 29.457 ( 15.897 -1.048 -0.685) 15.946 29.457 ( 15.897 1.048 -0.685) 15.946 29.867 ( 21.388 -10.028 -3.894) 23.941 29.867 ( 21.388 10.028 -3.894) 23.941 30.152 ( 5.969 -2.622 -3.907) 7.600 30.152 ( 5.969 2.622 -3.907) 7.600 30.663 ( 6.904 -3.919 -1.712) 8.121 30.663 ( 6.904 3.919 -1.712) 8.121 31.128 ( 0.230 -4.463 7.373) 8.622 31.128 ( 0.230 4.463 7.373) 8.622 31.702 ( -10.836 -1.265 0.716) 10.933 31.702 ( -10.836 1.265 0.716) 10.933 32.170 ( -10.874 -3.143 1.660) 11.440 32.170 ( -10.874 3.143 1.660) 11.440 32.475 ( -16.154 -8.798 -2.669) 18.587 32.475 ( -16.154 8.798 -2.669) 18.587 ======================= Grid point 83 (43/96) ======================= q-point: ( 0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -1.462 -1.145 2.724) 3.296 1.501 ( -1.462 1.145 2.724) 3.296 1.633 ( -0.973 -1.786 0.484) 2.091 1.633 ( -0.973 1.786 0.484) 2.091 1.872 ( 1.483 -7.182 0.221) 7.337 1.872 ( 1.483 7.182 0.221) 7.337 2.040 ( 2.346 -1.023 -0.832) 2.691 2.040 ( 2.346 1.023 -0.832) 2.691 2.279 ( -0.145 -1.522 -0.428) 1.587 2.279 ( -0.145 1.522 -0.428) 1.587 2.456 ( 3.074 -1.539 1.159) 3.628 2.456 ( 3.074 1.539 1.159) 3.628 2.737 ( -1.057 -3.783 -5.704) 6.925 2.737 ( -1.057 3.783 -5.704) 6.925 3.019 ( 4.930 -7.745 1.057) 9.241 3.019 ( 4.930 7.745 1.057) 9.241 3.238 ( -4.191 -3.175 8.469) 9.968 3.238 ( -4.191 3.175 8.469) 9.968 3.433 ( 7.665 -4.006 -1.200) 8.732 3.433 ( 7.665 4.006 -1.200) 8.732 3.727 ( -5.550 -4.076 -7.629) 10.277 3.727 ( -5.550 4.076 -7.629) 10.277 3.966 ( 1.381 -2.859 1.622) 3.565 3.966 ( 1.381 2.859 1.622) 3.565 4.583 ( 3.607 -6.329 4.114) 8.366 4.583 ( 3.607 6.329 4.114) 8.366 4.875 ( -1.119 -6.464 -5.976) 8.874 4.875 ( -1.119 6.464 -5.976) 8.874 5.001 ( 1.851 -6.608 0.130) 6.863 5.001 ( 1.851 6.608 0.130) 6.863 5.312 ( 1.760 -4.879 2.875) 5.930 5.312 ( 1.760 4.879 2.875) 5.930 5.544 ( -1.046 -2.313 -1.964) 3.210 5.544 ( -1.046 2.313 -1.964) 3.210 5.821 ( 4.402 -2.050 -4.936) 6.924 5.821 ( 4.402 2.050 -4.936) 6.924 6.206 ( -1.058 -6.152 4.689) 7.807 6.206 ( -1.058 6.152 4.689) 7.807 6.434 ( -0.062 -6.762 -1.314) 6.888 6.434 ( -0.062 6.762 -1.314) 6.888 6.694 ( 5.357 -5.609 3.101) 8.353 6.694 ( 5.357 5.609 3.101) 8.353 7.114 ( -0.089 -4.413 1.940) 4.821 7.114 ( -0.089 4.413 1.940) 4.821 7.646 ( 10.984 -2.352 -1.963) 11.403 7.646 ( 10.984 2.352 -1.963) 11.403 8.069 ( 2.786 -0.870 1.923) 3.495 8.069 ( 2.786 0.870 1.923) 3.495 8.553 ( 10.275 -1.483 -1.079) 10.437 8.553 ( 10.275 1.483 -1.079) 10.437 9.140 ( 13.158 -0.470 -8.209) 15.515 9.140 ( 13.158 0.470 -8.209) 15.515 9.318 ( 4.678 -1.983 4.577) 6.839 9.318 ( 4.678 1.983 4.577) 6.839 9.806 ( -4.966 -0.293 0.430) 4.993 9.806 ( -4.966 0.293 0.430) 4.993 10.273 ( 19.824 -0.677 -4.700) 20.384 10.273 ( 19.824 0.677 -4.700) 20.384 10.488 ( 14.578 -3.401 5.950) 16.109 10.488 ( 14.578 3.401 5.950) 16.109 11.501 ( -15.325 -1.771 5.575) 16.404 11.501 ( -15.325 1.771 5.575) 16.404 11.625 ( -22.500 -0.765 1.783) 22.583 11.625 ( -22.500 0.765 1.783) 22.583 11.985 ( 0.249 -6.165 -0.348) 6.180 11.985 ( 0.249 6.165 -0.348) 6.180 12.204 ( -4.496 -0.729 -1.534) 4.806 12.204 ( -4.496 0.729 -1.534) 4.806 12.697 ( -16.604 -0.510 -1.720) 16.701 12.697 ( -16.604 0.510 -1.720) 16.701 12.904 ( -21.367 -1.119 -0.919) 21.416 12.904 ( -21.367 1.119 -0.919) 21.416 13.908 ( 12.778 -0.758 0.071) 12.801 13.908 ( 12.778 0.758 0.071) 12.801 14.492 ( -14.191 -0.835 -0.542) 14.226 14.492 ( -14.191 0.835 -0.542) 14.226 17.217 ( 26.077 -2.636 -3.418) 26.432 17.217 ( 26.077 2.636 -3.418) 26.432 18.089 ( -19.823 -1.205 -1.334) 19.904 18.089 ( -19.823 1.205 -1.334) 19.904 19.408 ( 34.178 -3.976 0.269) 34.410 19.408 ( 34.178 3.976 0.269) 34.410 20.673 ( -26.092 -1.850 0.179) 26.159 20.673 ( -26.092 1.850 0.179) 26.159 22.478 ( 7.702 -1.011 0.893) 7.819 22.478 ( 7.702 1.011 0.893) 7.819 22.814 ( -2.679 -4.338 0.967) 5.189 22.814 ( -2.679 4.338 0.967) 5.189 27.773 ( 2.276 -0.144 -0.080) 2.282 27.773 ( 2.276 0.144 -0.080) 2.282 27.981 ( -5.168 -0.432 0.046) 5.186 27.981 ( -5.168 0.432 0.046) 5.186 29.762 ( 13.280 -0.419 -1.150) 13.336 29.762 ( 13.280 0.419 -1.150) 13.336 30.055 ( -0.631 -3.070 -2.142) 3.797 30.055 ( -0.631 3.070 -2.142) 3.797 30.391 ( 14.799 -5.788 -2.820) 16.139 30.391 ( 14.799 5.788 -2.820) 16.139 30.823 ( 8.287 -2.227 0.158) 8.583 30.823 ( 8.287 2.227 0.158) 8.583 31.123 ( -1.852 -4.166 4.664) 6.522 31.123 ( -1.852 4.166 4.664) 6.522 31.474 ( -10.276 -0.570 1.078) 10.348 31.474 ( -10.276 0.570 1.078) 10.348 32.003 ( -4.627 -1.867 0.188) 4.992 32.003 ( -4.627 1.867 0.188) 4.992 32.192 ( -11.350 -4.636 -1.682) 12.375 32.192 ( -11.350 4.636 -1.682) 12.375 ======================= Grid point 85 (44/96) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( -1.723 -1.405 1.965) 2.967 1.466 ( -1.723 1.405 1.965) 2.967 1.622 ( -0.017 -0.898 -0.037) 0.899 1.622 ( -0.017 0.898 -0.037) 0.899 1.897 ( 1.094 -5.928 2.174) 6.408 1.897 ( 1.094 5.928 2.174) 6.408 2.050 ( -1.061 -2.853 -0.443) 3.076 2.050 ( -1.061 2.853 -0.443) 3.076 2.271 ( -0.088 -2.924 0.424) 2.956 2.271 ( -0.088 2.924 0.424) 2.956 2.513 ( 0.028 -2.467 -1.539) 2.907 2.513 ( 0.028 2.467 -1.539) 2.907 2.733 ( 1.970 -3.351 -1.362) 4.119 2.733 ( 1.970 3.351 -1.362) 4.119 2.986 ( -4.980 -1.623 5.619) 7.682 2.986 ( -4.980 1.623 5.619) 7.682 3.274 ( 3.758 -6.764 1.800) 7.945 3.274 ( 3.758 6.765 1.800) 7.945 3.450 ( -8.056 -3.120 -8.017) 11.786 3.450 ( -8.056 3.120 -8.017) 11.786 3.646 ( -0.084 -2.759 -5.875) 6.491 3.646 ( -0.084 2.759 -5.875) 6.491 3.968 ( 0.437 -2.225 1.663) 2.812 3.968 ( 0.437 2.225 1.663) 2.812 4.718 ( 2.505 -8.223 1.299) 8.694 4.718 ( 2.505 8.223 1.299) 8.694 4.795 ( 3.982 -6.822 6.388) 10.159 4.795 ( 3.982 6.822 6.388) 10.159 5.087 ( 1.657 -4.580 -3.546) 6.024 5.087 ( 1.657 4.580 -3.546) 6.024 5.343 ( 0.946 -5.402 2.412) 5.992 5.343 ( 0.946 5.402 2.412) 5.992 5.526 ( 1.364 -5.591 -0.113) 5.756 5.526 ( 1.364 5.591 -0.113) 5.756 5.917 ( 4.089 -3.792 -5.310) 7.700 5.917 ( 4.089 3.792 -5.310) 7.700 6.153 ( -4.469 -5.752 2.391) 7.666 6.153 ( -4.469 5.752 2.391) 7.666 6.430 ( 0.644 -4.770 -0.592) 4.849 6.430 ( 0.644 4.770 -0.592) 4.849 6.758 ( -0.720 -5.748 3.291) 6.663 6.758 ( -0.720 5.748 3.291) 6.663 7.092 ( -1.282 -1.394 1.778) 2.597 7.092 ( -1.282 1.394 1.778) 2.597 7.710 ( -3.479 -2.612 -3.165) 5.380 7.710 ( -3.479 2.612 -3.165) 5.380 8.145 ( 2.998 -0.625 2.638) 4.042 8.145 ( 2.998 0.625 2.638) 4.042 8.671 ( 1.088 -2.724 -1.275) 3.198 8.671 ( 1.088 2.724 -1.275) 3.198 9.213 ( -5.082 -0.094 -8.811) 10.172 9.213 ( -5.082 0.095 -8.811) 10.172 9.427 ( 2.224 -2.301 0.074) 3.201 9.427 ( 2.224 2.301 0.074) 3.201 9.714 ( -2.053 -0.753 1.861) 2.872 9.714 ( -2.053 0.753 1.861) 2.872 10.663 ( -0.153 -0.914 -1.411) 1.688 10.663 ( -0.153 0.914 -1.411) 1.688 10.810 ( 3.076 -0.360 1.417) 3.405 10.810 ( 3.076 0.360 1.417) 3.405 11.028 ( 1.264 -1.920 1.706) 2.863 11.028 ( 1.264 1.920 1.706) 2.863 11.298 ( -1.647 -0.658 10.112) 10.266 11.298 ( -1.647 0.658 10.112) 10.266 12.108 ( -0.167 -2.219 0.443) 2.269 12.108 ( -0.167 2.220 0.443) 2.269 12.210 ( -1.505 -0.919 -1.914) 2.603 12.210 ( -1.505 0.919 -1.914) 2.603 12.448 ( 0.550 -2.839 -1.584) 3.297 12.448 ( 0.550 2.839 -1.584) 3.297 12.644 ( 0.297 -1.455 -1.993) 2.486 12.644 ( 0.297 1.455 -1.993) 2.486 14.165 ( -3.995 -0.097 0.090) 3.997 14.165 ( -3.995 0.097 0.090) 3.997 14.229 ( 3.851 -0.070 -0.552) 3.891 14.229 ( 3.851 0.070 -0.552) 3.891 17.672 ( -18.114 -2.440 -2.684) 18.473 17.672 ( -18.114 2.440 -2.684) 18.473 17.696 ( 18.044 -1.739 -1.871) 18.224 17.696 ( 18.044 1.739 -1.871) 18.224 20.052 ( -9.269 -1.801 0.507) 9.456 20.052 ( -9.269 1.801 0.507) 9.456 20.106 ( 8.582 -3.669 0.090) 9.334 20.106 ( 8.582 3.669 0.090) 9.334 22.597 ( -0.163 -0.407 1.721) 1.776 22.597 ( -0.163 0.407 1.721) 1.776 22.748 ( 0.370 -2.964 -0.549) 3.037 22.748 ( 0.370 2.964 -0.549) 3.037 27.811 ( 0.093 -0.038 -0.053) 0.114 27.811 ( 0.093 0.038 -0.053) 0.114 27.912 ( 0.004 -0.461 0.009) 0.461 27.912 ( 0.004 0.461 0.009) 0.461 29.917 ( -4.311 -0.438 -3.587) 5.625 29.917 ( -4.311 0.438 -3.587) 5.625 30.025 ( 4.290 -1.521 0.405) 4.570 30.025 ( 4.290 1.521 0.405) 4.570 30.591 ( 1.996 -4.116 -0.010) 4.575 30.591 ( 1.996 4.116 -0.010) 4.575 30.942 ( 1.283 -5.064 -1.708) 5.496 30.942 ( 1.283 5.064 -1.708) 5.496 31.052 ( -3.001 -2.139 3.186) 4.872 31.052 ( -3.001 2.139 3.186) 4.872 31.354 ( 0.076 -1.591 2.125) 2.656 31.354 ( 0.076 1.591 2.125) 2.656 31.979 ( -0.822 -0.526 -0.529) 1.110 31.979 ( -0.822 0.526 -0.529) 1.110 32.049 ( 1.021 -1.141 -0.872) 1.762 32.049 ( 1.021 1.141 -0.872) 1.762 ======================= Grid point 87 (45/96) ======================= q-point: (-0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( -0.162 -1.525 1.347) 2.041 1.444 ( -0.162 1.525 1.347) 2.042 1.632 ( 0.772 -0.874 -0.607) 1.315 1.632 ( 0.772 0.874 -0.607) 1.315 1.870 ( -4.836 -4.221 -0.013) 6.420 1.870 ( -4.836 4.221 -0.013) 6.420 2.056 ( 2.349 -4.375 -0.066) 4.966 2.056 ( 2.349 4.375 -0.066) 4.966 2.264 ( -1.209 -0.780 -0.550) 1.540 2.264 ( -1.209 0.780 -0.550) 1.540 2.434 ( -5.445 -4.625 -1.118) 7.231 2.434 ( -5.445 4.625 -1.118) 7.231 2.811 ( 1.891 -2.729 -1.624) 3.696 2.811 ( 1.891 2.729 -1.624) 3.696 2.900 ( -1.790 -2.034 2.319) 3.566 2.900 ( -1.790 2.034 2.319) 3.566 3.176 ( -10.021 -1.298 -4.678) 11.135 3.176 ( -10.021 1.298 -4.678) 11.135 3.386 ( 2.162 -7.975 1.249) 8.356 3.386 ( 2.162 7.975 1.249) 8.356 3.657 ( 0.330 -4.356 -2.964) 5.279 3.657 ( 0.330 4.356 -2.964) 5.279 3.967 ( -0.861 -6.228 0.918) 6.354 3.967 ( -0.861 6.228 0.918) 6.354 4.703 ( -1.192 -15.824 -2.609) 16.082 4.703 ( -1.192 15.824 -2.609) 16.082 4.911 ( -0.616 -1.359 4.568) 4.806 4.911 ( -0.616 1.359 4.568) 4.806 5.130 ( 6.532 -2.639 1.281) 7.161 5.130 ( 6.532 2.639 1.281) 7.161 5.358 ( 1.050 -4.016 3.391) 5.360 5.358 ( 1.050 4.016 3.391) 5.360 5.626 ( 7.149 -8.419 0.198) 11.046 5.626 ( 7.149 8.419 0.198) 11.046 5.948 ( -3.294 -6.124 -5.186) 8.674 5.948 ( -3.294 6.124 -5.186) 8.674 6.011 ( -8.048 -4.881 3.992) 10.224 6.011 ( -8.048 4.881 3.992) 10.224 6.468 ( 2.246 -3.504 -1.180) 4.326 6.468 ( 2.246 3.504 -1.180) 4.326 6.649 ( -8.282 -6.613 2.425) 10.872 6.649 ( -8.282 6.613 2.425) 10.872 7.083 ( -0.416 -2.942 1.925) 3.540 7.083 ( -0.416 2.942 1.925) 3.540 7.536 ( -12.794 -0.927 -4.073) 13.459 7.536 ( -12.794 0.927 -4.073) 13.459 8.167 ( -0.910 -3.372 2.816) 4.487 8.167 ( -0.910 3.372 2.816) 4.487 8.585 ( -9.629 -4.419 -1.047) 10.646 8.585 ( -9.629 4.419 -1.047) 10.646 9.041 ( -10.100 -0.888 -9.111) 13.632 9.041 ( -10.100 0.888 -9.111) 13.632 9.274 ( -12.755 -2.983 2.868) 13.410 9.274 ( -12.755 2.983 2.868) 13.410 9.788 ( 6.122 -0.525 0.263) 6.150 9.788 ( 6.122 0.525 0.263) 6.150 10.225 ( -22.096 -0.482 -2.254) 22.216 10.225 ( -22.096 0.482 -2.254) 22.216 10.609 ( -12.523 -0.437 4.864) 13.442 10.609 ( -12.523 0.437 4.864) 13.442 11.530 ( 21.256 -2.846 5.176) 22.062 11.530 ( 21.256 2.846 5.176) 22.062 11.603 ( 16.789 -1.134 2.300) 16.984 11.603 ( 16.789 1.134 2.300) 16.984 11.980 ( 0.837 -2.438 -0.042) 2.578 11.980 ( 0.837 2.438 -0.042) 2.578 12.166 ( 3.598 -0.460 -2.819) 4.593 12.166 ( 3.598 0.460 -2.819) 4.593 12.719 ( 17.732 -3.674 -0.829) 18.127 12.719 ( 17.732 3.674 -0.829) 18.127 12.889 ( 19.703 -1.549 -1.637) 19.832 12.889 ( 19.703 1.549 -1.637) 19.832 13.892 ( -12.486 -0.494 -0.429) 12.503 13.892 ( -12.486 0.494 -0.429) 12.503 14.505 ( 14.005 -0.796 -0.195) 14.029 14.505 ( 14.005 0.796 -0.195) 14.029 17.200 ( -25.436 -4.385 -3.965) 26.114 17.200 ( -25.436 4.385 -3.965) 26.114 18.102 ( 19.169 -1.044 -0.946) 19.221 18.102 ( 19.169 1.044 -0.946) 19.221 19.376 ( -35.009 -3.051 -0.534) 35.146 19.376 ( -35.009 3.051 -0.534) 35.146 20.677 ( 25.693 -2.472 0.331) 25.814 20.677 ( 25.693 2.472 0.331) 25.814 22.470 ( -8.376 -1.127 0.606) 8.474 22.470 ( -8.376 1.127 0.606) 8.474 22.829 ( 3.492 -1.966 1.399) 4.244 22.829 ( 3.492 1.966 1.399) 4.244 27.775 ( -2.228 -0.008 -0.019) 2.228 27.775 ( -2.228 0.008 -0.019) 2.228 27.983 ( 5.389 -0.605 0.109) 5.424 27.983 ( 5.389 0.605 0.109) 5.424 29.714 ( -12.836 -0.049 -2.310) 13.042 29.714 ( -12.836 0.049 -2.310) 13.042 30.091 ( -1.258 -2.459 -0.924) 2.913 30.091 ( -1.258 2.459 -0.924) 2.913 30.435 ( -13.711 -6.998 -2.392) 15.578 30.435 ( -13.711 6.998 -2.392) 15.578 30.903 ( -6.171 -4.598 -0.508) 7.712 30.903 ( -6.171 4.598 -0.508) 7.712 31.030 ( 2.136 -3.187 5.572) 6.765 31.030 ( 2.136 3.187 5.572) 6.765 31.469 ( 8.801 -0.438 0.775) 8.846 31.469 ( 8.801 0.438 0.775) 8.846 31.985 ( 4.056 -1.683 -0.469) 4.416 31.985 ( 4.056 1.683 -0.469) 4.416 32.216 ( 12.217 -5.582 -0.903) 13.462 32.216 ( 12.217 5.582 -0.903) 13.462 ======================= Grid point 89 (46/96) ======================= q-point: (-0.30 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -0.222 -1.803 1.007) 2.077 1.451 ( -0.222 1.803 1.007) 2.077 1.611 ( -5.164 -0.796 -0.826) 5.290 1.611 ( -5.164 0.796 -0.826) 5.290 1.758 ( -2.377 -6.325 -0.839) 6.808 1.758 ( -2.377 6.325 -0.839) 6.808 2.083 ( -3.142 -0.413 2.063) 3.781 2.083 ( -3.142 0.413 2.063) 3.781 2.199 ( -2.477 -2.770 -3.479) 5.090 2.199 ( -2.477 2.770 -3.479) 5.090 2.394 ( 1.741 -7.452 0.289) 7.658 2.394 ( 1.741 7.452 0.289) 7.658 2.682 ( -9.609 -2.432 -4.894) 11.055 2.682 ( -9.609 2.432 -4.894) 11.055 2.941 ( 0.737 -2.716 -3.389) 4.405 2.941 ( 0.737 2.716 -3.389) 4.405 3.107 ( 4.513 -3.429 -0.416) 5.683 3.107 ( 4.513 3.429 -0.416) 5.683 3.431 ( 1.645 -4.841 3.696) 6.308 3.431 ( 1.645 4.841 3.696) 6.308 3.606 ( -6.452 -3.587 -0.015) 7.382 3.606 ( -6.452 3.587 -0.015) 7.382 3.942 ( -1.217 -5.556 -0.944) 5.766 3.942 ( -1.217 5.556 -0.944) 5.766 4.622 ( -8.667 -5.321 -3.778) 10.849 4.622 ( -8.667 5.321 -3.778) 10.849 4.856 ( -0.838 -1.984 3.080) 3.758 4.856 ( -0.838 1.984 3.080) 3.758 5.251 ( -0.262 -0.216 1.202) 1.249 5.251 ( -0.262 0.216 1.202) 1.249 5.395 ( 1.300 -2.607 6.484) 7.109 5.395 ( 1.300 2.607 6.484) 7.109 5.658 ( -14.033 -4.880 -0.786) 14.879 5.658 ( -14.033 4.880 -0.786) 14.879 5.758 ( 3.506 -8.313 -2.086) 9.260 5.758 ( 3.506 8.313 -2.086) 9.260 5.979 ( -0.139 -2.806 0.777) 2.915 5.979 ( -0.139 2.806 0.777) 2.915 6.400 ( -7.223 -3.208 1.731) 8.091 6.400 ( -7.223 3.208 1.731) 8.091 6.566 ( -3.107 -1.396 -1.647) 3.783 6.566 ( -3.107 1.396 -1.647) 3.783 6.989 ( -9.614 -6.723 0.540) 11.744 6.989 ( -9.614 6.723 0.540) 11.744 7.304 ( -4.798 -5.219 -0.699) 7.124 7.304 ( -4.798 5.219 -0.699) 7.124 8.095 ( -7.113 -3.204 2.004) 8.054 8.095 ( -7.113 3.204 2.004) 8.054 8.345 ( -10.093 -2.007 0.026) 10.290 8.345 ( -10.093 2.007 0.026) 10.290 8.830 ( -9.643 -3.758 -6.215) 12.072 8.830 ( -9.643 3.758 -6.215) 12.072 9.060 ( -7.687 -1.841 2.981) 8.448 9.060 ( -7.687 1.841 2.981) 8.448 9.826 ( -4.356 -0.521 -3.324) 5.504 9.826 ( -4.356 0.521 -3.324) 5.504 9.943 ( -6.040 -1.202 1.388) 6.312 9.943 ( -6.040 1.202 1.388) 6.312 10.422 ( -3.498 -1.395 4.784) 6.088 10.422 ( -3.498 1.395 4.784) 6.088 11.513 ( -10.702 -0.177 -1.342) 10.787 11.513 ( -10.702 0.177 -1.342) 10.787 11.893 ( 7.480 -1.336 4.985) 9.088 11.893 ( 7.480 1.336 4.985) 9.088 12.152 ( 15.678 -5.042 -3.700) 16.879 12.152 ( 15.678 5.042 -3.700) 16.879 12.625 ( 29.155 -0.396 0.646) 29.165 12.625 ( 29.155 0.396 0.646) 29.165 13.079 ( 17.648 -3.942 -1.140) 18.118 13.079 ( 17.648 3.942 -1.140) 18.118 13.199 ( 4.452 -2.552 -1.484) 5.342 13.199 ( 4.452 2.552 -1.484) 5.342 13.839 ( 13.428 -0.097 -0.408) 13.434 13.839 ( 13.428 0.097 -0.408) 13.434 14.777 ( 12.407 -1.865 -0.500) 12.556 14.777 ( 12.407 1.865 -0.500) 12.556 16.617 ( -31.496 -6.612 -5.153) 32.593 16.617 ( -31.496 6.612 -5.153) 32.593 18.431 ( 1.073 -0.246 -0.063) 1.103 18.431 ( 1.073 0.246 -0.063) 1.103 18.732 ( -14.889 -3.354 -2.041) 15.398 18.732 ( -14.889 3.354 -2.041) 15.398 21.125 ( 17.920 -2.054 0.055) 18.037 21.125 ( 17.920 2.054 0.055) 18.037 22.315 ( -6.223 -1.209 0.843) 6.395 22.315 ( -6.223 1.209 0.843) 6.395 22.824 ( -4.732 -2.622 3.082) 6.227 22.824 ( -4.732 2.622 3.082) 6.227 27.740 ( -1.103 -0.030 0.029) 1.104 27.740 ( -1.103 0.030 0.029) 1.104 28.104 ( 6.122 -0.742 0.301) 6.174 28.104 ( 6.122 0.742 0.301) 6.174 29.422 ( -15.081 -0.623 -1.707) 15.190 29.422 ( -15.081 0.623 -1.707) 15.190 29.860 ( -21.492 -8.272 -3.506) 23.295 29.860 ( -21.492 8.272 -3.506) 23.295 30.212 ( -6.819 -3.486 -3.140) 8.277 30.212 ( -6.819 3.486 -3.140) 8.277 30.740 ( -8.451 -5.880 -0.974) 10.341 30.740 ( -8.451 5.880 -0.974) 10.341 31.101 ( 3.585 -5.122 8.838) 10.826 31.101 ( 3.585 5.122 8.838) 10.826 31.650 ( 8.487 -1.237 -1.236) 8.665 31.650 ( 8.487 1.237 -1.236) 8.665 32.152 ( 11.480 -1.336 0.929) 11.594 32.152 ( 11.480 1.336 0.929) 11.594 32.508 ( 16.193 -10.233 -1.471) 19.212 32.508 ( 16.193 10.233 -1.471) 19.212 ======================= Grid point 91 (47/96) ======================= q-point: (-0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( -9.702 -8.149 0.896) 12.702 1.352 ( -9.702 8.149 0.896) 12.702 1.494 ( -4.681 -6.334 4.441) 9.042 1.494 ( -4.681 6.334 4.441) 9.042 1.779 ( 1.365 -5.944 1.568) 6.297 1.779 ( 1.365 5.944 1.568) 6.297 1.930 ( -6.637 -6.742 0.029) 9.460 1.930 ( -6.637 6.742 0.029) 9.460 2.189 ( -1.442 -1.837 -2.159) 3.180 2.189 ( -1.442 1.837 -2.159) 3.180 2.444 ( 0.999 -8.735 -0.190) 8.794 2.444 ( 0.999 8.735 -0.190) 8.794 2.531 ( -3.684 -4.250 -2.197) 6.038 2.531 ( -3.684 4.250 -2.197) 6.038 2.933 ( -1.677 -6.895 -5.380) 8.905 2.933 ( -1.677 6.895 -5.380) 8.905 3.185 ( -4.458 -2.713 1.772) 5.511 3.185 ( -4.458 2.713 1.772) 5.511 3.417 ( -0.095 -3.273 -8.131) 8.765 3.417 ( -0.095 3.273 -8.131) 8.765 3.467 ( -3.433 -7.070 6.119) 9.960 3.467 ( -3.433 7.070 6.119) 9.960 3.903 ( -3.389 -2.753 -5.474) 7.003 3.903 ( -3.389 2.753 -5.474) 7.003 4.367 ( -13.809 -3.209 0.849) 14.203 4.367 ( -13.809 3.209 0.849) 14.203 4.866 ( -1.457 -2.709 -1.416) 3.386 4.866 ( -1.457 2.709 -1.416) 3.386 5.015 ( -13.398 -1.567 0.631) 13.504 5.015 ( -13.398 1.567 0.631) 13.504 5.375 ( -2.040 -0.396 5.879) 6.236 5.375 ( -2.040 0.396 5.879) 6.236 5.604 ( 2.449 -5.499 1.167) 6.132 5.604 ( 2.449 5.499 1.167) 6.132 5.772 ( -2.567 -5.963 -2.593) 6.990 5.772 ( -2.567 5.963 -2.593) 6.990 5.928 ( -4.102 -1.944 -3.406) 5.675 5.928 ( -4.102 1.944 -3.406) 5.675 6.317 ( -5.631 -4.634 1.066) 7.370 6.317 ( -5.631 4.634 1.066) 7.370 6.353 ( -7.449 -6.996 6.019) 11.860 6.353 ( -7.449 6.996 6.019) 11.860 6.910 ( 1.172 -6.665 -1.717) 6.982 6.910 ( 1.172 6.665 -1.717) 6.982 7.317 ( 4.053 -7.069 2.542) 8.536 7.317 ( 4.053 7.069 2.542) 8.536 7.894 ( -10.783 -1.536 1.403) 10.982 7.894 ( -10.783 1.536 1.403) 10.982 8.230 ( -2.858 -1.906 1.320) 3.680 8.230 ( -2.858 1.906 1.320) 3.680 8.644 ( -8.175 -4.828 -3.020) 9.963 8.644 ( -8.175 4.828 -3.020) 9.963 8.956 ( -2.599 -3.743 0.456) 4.579 8.956 ( -2.599 3.743 0.456) 4.579 9.749 ( -1.768 -0.251 -0.654) 1.902 9.749 ( -1.768 0.251 -0.654) 1.902 9.795 ( -8.813 -1.033 3.570) 9.564 9.795 ( -8.813 1.033 3.570) 9.564 10.472 ( 5.795 -0.492 1.841) 6.100 10.472 ( 5.795 0.492 1.841) 6.100 11.337 ( -5.279 -0.297 -1.824) 5.593 11.337 ( -5.279 0.297 -1.824) 5.593 11.931 ( -0.880 -1.608 0.740) 1.977 11.931 ( -0.880 1.608 0.740) 1.977 12.526 ( 16.868 -6.407 -1.688) 18.123 12.526 ( 16.868 6.407 -1.688) 18.123 12.821 ( -10.493 -0.385 -0.896) 10.538 12.821 ( -10.493 0.385 -0.896) 10.538 13.391 ( 20.419 -3.113 -1.327) 20.697 13.391 ( 20.419 3.113 -1.327) 20.697 13.503 ( 22.103 -5.084 -1.166) 22.711 13.503 ( 22.103 5.084 -1.166) 22.711 14.293 ( 24.485 -0.958 -0.700) 24.513 14.293 ( 24.485 0.958 -0.700) 24.513 15.001 ( 8.921 -2.840 -1.096) 9.426 15.001 ( 8.921 2.840 -1.096) 9.426 15.924 ( -34.776 -6.626 -4.846) 35.731 15.924 ( -34.776 6.626 -4.846) 35.731 17.904 ( -31.261 -1.282 -2.965) 31.427 17.904 ( -31.261 1.282 -2.965) 31.427 19.045 ( 24.897 -1.411 -0.204) 24.938 19.045 ( 24.897 1.411 -0.204) 24.938 21.405 ( 9.556 -1.688 -0.216) 9.706 21.405 ( 9.556 1.688 -0.216) 9.706 22.232 ( -1.818 -3.644 2.290) 4.672 22.232 ( -1.818 3.644 2.290) 4.672 22.625 ( -14.694 -4.032 3.662) 15.671 22.625 ( -14.694 4.032 3.662) 15.671 27.728 ( -0.184 -0.088 0.075) 0.218 27.728 ( -0.184 0.088 0.075) 0.218 28.222 ( 5.087 -0.674 0.395) 5.146 28.222 ( 5.087 0.674 0.395) 5.146 29.122 ( -13.582 -0.921 -1.754) 13.726 29.122 ( -13.582 0.921 -1.754) 13.726 29.310 ( -30.592 -12.293 -4.891) 33.330 29.310 ( -30.592 12.293 -4.891) 33.330 30.087 ( -5.748 -1.456 -2.977) 6.635 30.087 ( -5.748 1.456 -2.977) 6.635 30.580 ( -6.860 -8.268 -2.629) 11.060 30.580 ( -6.860 8.268 -2.629) 11.060 31.168 ( 2.441 -7.782 10.985) 13.681 31.168 ( 2.441 7.782 10.985) 13.681 31.813 ( 7.394 -2.811 -2.897) 8.424 31.813 ( 7.394 2.811 -2.897) 8.424 32.405 ( 11.873 -3.200 2.379) 12.525 32.405 ( 11.873 3.200 2.379) 12.525 32.882 ( 20.601 -12.526 -2.190) 24.210 32.882 ( 20.601 12.526 -2.190) 24.210 ======================= Grid point 93 (48/96) ======================= q-point: (-0.10 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -13.943 -15.925 2.637) 21.330 1.105 ( -13.943 15.925 2.637) 21.330 1.396 ( -4.729 -14.451 10.520) 18.490 1.396 ( -4.729 14.451 10.520) 18.490 1.722 ( -4.921 -0.926 2.133) 5.443 1.722 ( -4.921 0.926 2.133) 5.443 1.932 ( 1.151 -2.660 -1.425) 3.230 1.932 ( 1.151 2.660 -1.425) 3.230 2.076 ( -7.380 -10.167 4.585) 13.374 2.076 ( -7.380 10.167 4.585) 13.374 2.396 ( -3.409 -9.948 5.224) 11.742 2.396 ( -3.409 9.948 5.224) 11.742 2.522 ( 0.555 -4.739 -3.515) 5.927 2.522 ( 0.555 4.739 -3.515) 5.927 2.742 ( -12.874 -2.297 -2.296) 13.277 2.742 ( -12.874 2.297 -2.296) 13.277 3.124 ( 2.681 -10.023 -5.357) 11.676 3.124 ( 2.681 10.023 -5.357) 11.676 3.349 ( -7.587 -5.083 -2.148) 9.381 3.349 ( -7.587 5.083 -2.148) 9.381 3.493 ( 2.289 -4.764 -9.195) 10.605 3.493 ( 2.289 4.764 -9.195) 10.605 3.825 ( -1.008 -3.253 -10.614) 11.147 3.825 ( -1.008 3.253 -10.614) 11.147 4.181 ( -2.976 -4.353 0.577) 5.304 4.181 ( -2.976 4.353 0.577) 5.304 4.743 ( -5.039 -1.396 0.946) 5.313 4.743 ( -5.039 1.396 0.946) 5.313 4.933 ( -0.939 -6.747 2.478) 7.249 4.933 ( -0.939 6.747 2.478) 7.249 5.300 ( -5.392 -2.429 6.025) 8.442 5.300 ( -5.392 2.429 6.025) 8.442 5.596 ( -2.222 -4.106 2.126) 5.130 5.596 ( -2.222 4.106 2.126) 5.130 5.729 ( 0.231 -1.108 -4.956) 5.083 5.729 ( 0.231 1.108 -4.956) 5.083 5.888 ( -0.417 -3.790 -3.423) 5.124 5.888 ( -0.417 3.790 -3.423) 5.124 6.126 ( -5.685 -4.985 -0.209) 7.564 6.126 ( -5.685 4.985 -0.209) 7.564 6.401 ( 3.429 -0.136 15.090) 15.475 6.401 ( 3.429 0.136 15.090) 15.475 6.933 ( 0.875 -1.598 -1.800) 2.561 6.933 ( 0.875 1.598 -1.800) 2.561 7.422 ( 4.396 -3.611 1.534) 5.892 7.422 ( 4.396 3.611 1.534) 5.892 7.694 ( -8.368 -4.169 3.464) 9.970 7.694 ( -8.368 4.169 3.464) 9.970 8.172 ( -2.894 -3.279 -1.553) 4.641 8.172 ( -2.894 3.279 -1.553) 4.641 8.527 ( -2.947 -2.713 -2.552) 4.750 8.527 ( -2.947 2.713 -2.552) 4.750 8.951 ( 2.007 -7.471 2.545) 8.144 8.951 ( 2.007 7.471 2.545) 8.144 9.623 ( -6.282 -1.002 3.424) 7.224 9.623 ( -6.282 1.002 3.424) 7.224 9.751 ( 0.383 -0.718 2.443) 2.575 9.751 ( 0.383 0.718 2.443) 2.575 10.577 ( 3.457 -0.521 0.006) 3.496 10.577 ( 3.457 0.521 0.006) 3.496 11.313 ( 2.301 -0.610 -1.568) 2.851 11.313 ( 2.301 0.610 -1.568) 2.851 11.899 ( -1.584 -2.729 -1.315) 3.419 11.899 ( -1.584 2.729 -1.315) 3.419 12.540 ( -12.236 -0.086 -0.931) 12.271 12.540 ( -12.236 0.086 -0.931) 12.271 12.797 ( 8.298 -6.116 -1.398) 10.403 12.797 ( 8.298 6.116 -1.398) 10.403 13.747 ( 12.046 -7.093 -3.801) 14.487 13.747 ( 12.046 7.093 -3.801) 14.487 13.907 ( 14.114 -4.361 -2.206) 14.936 13.907 ( 14.114 4.361 -2.206) 14.936 14.699 ( 12.232 -1.353 -0.822) 12.334 14.699 ( 12.232 1.353 -0.822) 12.334 15.031 ( -9.781 -2.718 -1.911) 10.330 15.031 ( -9.781 2.718 -1.911) 10.330 15.399 ( -7.176 -1.409 -0.513) 7.331 15.399 ( -7.176 1.409 -0.513) 7.331 17.329 ( -23.050 -0.333 -3.704) 23.348 17.329 ( -23.050 0.333 -3.704) 23.348 19.580 ( 25.275 -2.405 0.708) 25.399 19.580 ( 25.275 2.405 0.708) 25.399 21.523 ( 2.186 -1.114 -0.462) 2.497 21.523 ( 2.186 1.114 -0.462) 2.497 22.213 ( -7.299 -5.978 4.389) 10.406 22.213 ( -7.299 5.978 4.389) 10.406 22.296 ( -8.631 -4.359 2.276) 9.934 22.296 ( -8.631 4.359 2.276) 9.934 27.729 ( 0.158 -0.103 0.081) 0.205 27.729 ( 0.158 0.103 0.081) 0.205 28.303 ( 2.648 -0.339 0.247) 2.681 28.303 ( 2.648 0.339 0.247) 2.681 28.653 ( -29.311 -7.798 -4.366) 30.643 28.653 ( -29.311 7.798 -4.366) 30.643 28.910 ( -7.757 -0.974 0.207) 7.821 28.910 ( -7.757 0.974 0.207) 7.821 29.981 ( -4.119 -1.705 -2.776) 5.251 29.981 ( -4.119 1.705 -2.776) 5.251 30.468 ( -3.748 -11.367 -3.724) 12.535 30.468 ( -3.748 11.367 -3.724) 12.535 31.202 ( 0.499 -8.693 11.514) 14.435 31.202 ( 0.499 8.693 11.514) 14.435 31.943 ( 5.180 -3.618 -3.445) 7.197 31.943 ( 5.180 3.618 -3.445) 7.197 32.599 ( 6.462 -5.097 2.197) 8.519 32.599 ( 6.462 5.097 2.197) 8.519 33.320 ( 20.180 -6.296 -4.612) 21.637 33.320 ( 20.180 6.296 -4.612) 21.637 ======================= Grid point 105 (49/96) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -1.699 0.000 18.941) 19.017 1.281 ( -10.762 0.000 24.715) 26.957 1.359 ( 10.576 0.000 27.384) 29.355 1.629 ( 0.624 0.000 0.528) 0.817 1.706 ( 1.645 0.000 7.734) 7.907 1.730 ( 1.152 0.000 1.968) 2.281 1.880 ( -4.355 0.000 -2.236) 4.895 1.959 ( -0.434 0.000 -0.015) 0.434 2.043 ( -7.006 0.000 -1.454) 7.156 2.054 ( 4.474 0.000 0.461) 4.498 2.077 ( -10.860 0.000 3.204) 11.323 2.236 ( 0.195 0.000 -8.820) 8.823 2.442 ( 3.291 0.000 -9.316) 9.880 2.468 ( -5.598 0.000 -3.855) 6.797 2.771 ( 3.566 0.000 -0.521) 3.604 2.778 ( -1.983 0.000 -9.769) 9.969 2.896 ( -0.343 0.000 1.420) 1.461 3.033 ( 8.044 0.000 -1.464) 8.176 3.126 ( -6.268 0.000 -11.597) 13.182 3.139 ( 6.831 0.000 -14.345) 15.889 3.333 ( 3.282 0.000 -5.951) 6.796 3.426 ( 8.415 0.000 -12.671) 15.211 3.685 ( -2.001 0.000 3.286) 3.847 3.767 ( 0.101 0.000 -1.085) 1.090 4.122 ( 3.718 0.000 -3.495) 5.103 4.274 ( -0.021 0.000 -4.270) 4.270 4.643 ( -2.545 0.000 -1.254) 2.837 4.694 ( 1.186 0.000 -2.505) 2.772 4.967 ( -3.767 0.000 7.271) 8.189 5.026 ( 1.043 0.000 5.901) 5.993 5.185 ( -6.340 0.000 5.104) 8.139 5.407 ( -2.025 0.000 0.443) 2.073 5.511 ( 2.242 0.000 -3.555) 4.203 5.516 ( -1.287 0.000 1.919) 2.310 5.672 ( 3.981 0.000 -3.174) 5.091 5.673 ( -0.999 0.000 -0.841) 1.306 5.882 ( -0.269 0.000 0.311) 0.411 5.998 ( -0.383 0.000 -0.923) 0.999 6.177 ( -4.672 0.000 1.970) 5.071 6.232 ( 3.244 0.000 0.244) 3.254 6.387 ( 3.764 0.000 3.111) 4.883 6.529 ( -2.252 0.000 -4.139) 4.712 7.007 ( 1.938 0.000 7.192) 7.449 7.061 ( 0.848 0.000 4.204) 4.289 7.513 ( 1.154 0.000 6.997) 7.092 7.601 ( -0.017 0.000 3.885) 3.886 7.689 ( -2.715 0.000 8.356) 8.786 7.811 ( -2.238 0.000 -0.548) 2.304 7.972 ( -1.033 0.000 -1.720) 2.006 8.212 ( 2.666 0.000 -4.926) 5.601 8.476 ( -3.165 0.000 -2.150) 3.826 8.482 ( 1.724 0.000 -3.221) 3.654 8.862 ( 3.374 0.000 4.798) 5.865 9.059 ( 1.558 0.000 -4.298) 4.571 9.611 ( -0.789 0.000 3.481) 3.570 9.641 ( 0.518 0.000 2.813) 2.860 9.802 ( -0.287 0.000 2.684) 2.699 9.848 ( -0.825 0.000 2.778) 2.898 10.579 ( -1.372 0.000 -1.239) 1.848 10.587 ( 0.562 0.000 -0.794) 0.973 11.360 ( -0.088 0.000 0.048) 0.100 11.368 ( 1.501 0.000 -0.388) 1.550 11.764 ( -0.995 0.000 -1.259) 1.605 11.830 ( -1.158 0.000 -4.285) 4.438 12.400 ( 3.019 0.000 0.110) 3.021 12.416 ( -0.832 0.000 -0.498) 0.970 12.812 ( -0.372 0.000 4.292) 4.308 12.960 ( 6.044 0.000 -1.180) 6.158 13.722 ( 7.653 0.000 1.326) 7.768 13.860 ( -15.177 0.000 -6.129) 16.368 13.989 ( -0.684 0.000 0.789) 1.044 14.007 ( 0.168 0.000 -0.275) 0.322 14.725 ( -0.863 0.000 0.868) 1.224 14.748 ( 0.891 0.000 -0.285) 0.936 14.931 ( -0.163 0.000 -0.363) 0.398 14.956 ( -0.289 0.000 -1.179) 1.214 15.379 ( 0.531 0.000 0.412) 0.672 15.411 ( 0.242 0.000 -0.894) 0.926 16.992 ( -1.084 0.000 1.152) 1.582 17.097 ( 6.388 0.000 -3.657) 7.361 19.867 ( 1.159 0.000 3.300) 3.498 19.995 ( 0.014 0.000 -2.920) 2.920 21.514 ( 0.850 0.000 -0.176) 0.868 21.528 ( -0.588 0.000 -0.566) 0.816 21.892 ( -2.159 0.000 3.823) 4.391 22.048 ( 0.325 0.000 -3.188) 3.204 22.395 ( -1.372 0.000 1.453) 1.998 22.432 ( 2.330 0.000 1.233) 2.636 27.729 ( -0.090 0.000 0.125) 0.154 27.735 ( 0.011 0.000 -0.017) 0.020 28.287 ( -0.699 0.000 0.149) 0.715 28.294 ( 0.522 0.000 -0.178) 0.552 28.326 ( -0.249 0.000 0.036) 0.251 28.328 ( -0.390 0.000 -0.014) 0.390 28.837 ( -0.132 0.000 0.877) 0.887 28.849 ( 0.514 0.000 -0.010) 0.514 29.767 ( 0.804 0.000 7.509) 7.552 29.881 ( -0.563 0.000 -1.272) 1.391 30.171 ( 0.094 0.000 1.511) 1.513 30.536 ( -0.915 0.000 -10.346) 10.387 31.238 ( -0.678 0.000 7.199) 7.231 31.597 ( 0.255 0.000 -11.372) 11.375 32.141 ( 2.015 0.000 5.190) 5.568 32.379 ( -1.420 0.000 8.059) 8.183 32.427 ( -3.812 0.000 -5.997) 7.106 32.561 ( 1.234 0.000 0.021) 1.234 33.291 ( 2.933 0.000 -0.586) 2.991 33.372 ( -0.982 0.000 -3.869) 3.992 ======================= Grid point 106 (50/96) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -2.715 0.000 25.528) 25.672 1.126 ( 11.212 0.000 13.064) 17.216 1.616 ( -0.437 0.000 -0.584) 0.730 1.727 ( -0.727 0.000 1.105) 1.322 1.733 ( -3.394 0.000 4.789) 5.870 1.827 ( 4.525 0.000 3.762) 5.885 1.902 ( -6.528 0.000 -2.870) 7.131 1.948 ( -2.871 0.000 -1.439) 3.212 1.958 ( 30.309 0.000 19.013) 35.779 2.001 ( 4.447 0.000 -1.472) 4.684 2.138 ( 3.571 0.000 2.129) 4.157 2.266 ( 2.443 0.000 -11.687) 11.939 2.418 ( -3.858 0.000 -9.548) 10.298 2.585 ( 8.352 0.000 -6.569) 10.626 2.813 ( 8.677 0.000 3.339) 9.297 2.968 ( 9.666 0.000 1.024) 9.720 2.995 ( 18.215 0.000 1.145) 18.251 3.055 ( -1.168 0.000 -9.920) 9.988 3.162 ( 2.976 0.000 -0.116) 2.978 3.327 ( 4.792 0.000 -4.516) 6.584 3.418 ( 7.353 0.000 -12.284) 14.316 3.577 ( 4.200 0.000 -13.336) 13.982 3.622 ( -1.032 0.000 -2.124) 2.361 3.752 ( -0.410 0.000 1.240) 1.306 4.257 ( 7.778 0.000 -3.418) 8.496 4.282 ( 1.062 0.000 -12.272) 12.318 4.649 ( 7.020 0.000 2.566) 7.474 4.698 ( -1.003 0.000 -1.933) 2.178 4.940 ( 0.664 0.000 5.329) 5.370 4.959 ( -5.773 0.000 8.652) 10.401 5.234 ( 9.480 0.000 7.538) 12.111 5.347 ( -2.626 0.000 2.577) 3.680 5.510 ( 0.105 0.000 1.251) 1.255 5.582 ( 3.810 0.000 -2.469) 4.540 5.643 ( -1.767 0.000 -0.561) 1.854 5.745 ( 3.066 0.000 -3.187) 4.423 5.817 ( -5.916 0.000 -0.765) 5.965 6.052 ( 6.174 0.000 -1.535) 6.362 6.136 ( 0.731 0.000 3.413) 3.491 6.297 ( 2.519 0.000 -1.633) 3.002 6.490 ( 4.470 0.000 0.689) 4.523 6.503 ( 1.074 0.000 -2.555) 2.772 6.930 ( -8.729 0.000 6.518) 10.894 6.985 ( -4.086 0.000 5.760) 7.062 7.530 ( -6.167 0.000 4.662) 7.731 7.628 ( 6.008 0.000 6.607) 8.930 7.735 ( 6.464 0.000 7.349) 9.787 7.745 ( -2.944 0.000 -1.854) 3.479 7.948 ( -0.954 0.000 -0.923) 1.327 8.271 ( 5.213 0.000 -6.590) 8.403 8.454 ( 1.501 0.000 -3.355) 3.675 8.465 ( -2.947 0.000 0.707) 3.031 8.966 ( 6.390 0.000 3.450) 7.262 9.112 ( 4.007 0.000 -5.750) 7.008 9.644 ( 1.947 0.000 2.530) 3.192 9.668 ( 0.400 0.000 4.405) 4.423 9.836 ( 1.519 0.000 2.565) 2.981 9.864 ( 6.797 0.000 1.791) 7.029 10.511 ( -5.348 0.000 -0.333) 5.359 10.564 ( -3.376 0.000 0.081) 3.377 11.335 ( -0.599 0.000 -0.966) 1.137 11.370 ( 0.251 0.000 -0.872) 0.907 11.716 ( -2.224 0.000 0.096) 2.226 11.806 ( -1.020 0.000 -2.454) 2.658 12.540 ( 11.858 0.000 -1.293) 11.928 12.601 ( 14.382 0.000 -0.277) 14.384 12.748 ( -6.056 0.000 3.737) 7.117 13.047 ( -3.068 0.000 -9.388) 9.877 13.560 ( -13.651 0.000 -4.148) 14.267 13.728 ( -8.031 0.000 2.778) 8.498 13.821 ( -15.246 0.000 0.872) 15.271 13.851 ( -15.356 0.000 -0.369) 15.360 14.690 ( -13.282 0.000 0.185) 13.284 14.693 ( -11.503 0.000 -0.970) 11.544 14.989 ( 11.346 0.000 -1.841) 11.494 14.997 ( 7.638 0.000 -0.267) 7.642 15.353 ( 1.466 0.000 0.654) 1.605 15.404 ( 5.750 0.000 -1.262) 5.886 17.230 ( 22.630 0.000 0.376) 22.633 17.465 ( 26.087 0.000 -8.597) 27.467 19.586 ( -24.302 0.000 1.933) 24.379 19.640 ( -28.002 0.000 -1.439) 28.039 21.520 ( -2.173 0.000 0.301) 2.194 21.524 ( -1.962 0.000 -0.955) 2.182 22.061 ( 14.405 0.000 2.508) 14.621 22.143 ( 5.691 0.000 1.029) 5.784 22.388 ( 2.177 0.000 3.103) 3.790 22.591 ( 12.768 0.000 -0.294) 12.771 27.725 ( -0.280 0.000 0.142) 0.314 27.732 ( -0.191 0.000 0.005) 0.191 28.290 ( -2.988 0.000 0.493) 3.028 28.295 ( -2.753 0.000 0.130) 2.756 28.500 ( 20.024 0.000 -0.149) 20.025 28.656 ( 28.234 0.000 -9.014) 29.638 28.937 ( 11.167 0.000 -0.389) 11.174 28.942 ( 8.434 0.000 0.163) 8.436 29.840 ( 5.550 0.000 5.175) 7.589 29.906 ( 2.947 0.000 -0.956) 3.098 30.225 ( 5.102 0.000 3.932) 6.441 30.531 ( 0.785 0.000 -10.006) 10.037 31.219 ( -1.212 0.000 6.875) 6.981 31.580 ( -1.652 0.000 -9.770) 9.909 32.136 ( -2.611 0.000 5.152) 5.776 32.259 ( -11.403 0.000 -1.785) 11.542 32.291 ( -7.413 0.000 7.583) 10.605 32.546 ( -2.805 0.000 -0.645) 2.878 33.102 ( -18.495 0.000 2.982) 18.734 33.223 ( -12.730 0.000 -5.125) 13.723 ======================= Grid point 107 (51/96) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 13.488 0.000 8.250) 15.811 1.432 ( 17.107 0.000 3.323) 17.427 1.607 ( -0.408 0.000 0.547) 0.682 1.644 ( -3.668 0.000 0.975) 3.795 1.701 ( -1.563 0.000 -0.234) 1.580 1.778 ( -4.583 0.000 -4.094) 6.145 1.862 ( -3.599 0.000 -7.212) 8.061 2.042 ( 9.975 0.000 4.170) 10.811 2.097 ( 3.457 0.000 -0.643) 3.516 2.205 ( 4.599 0.000 -0.166) 4.602 2.305 ( -3.821 0.000 -4.953) 6.256 2.362 ( 8.922 0.000 -8.033) 12.005 2.436 ( 12.492 0.000 9.517) 15.704 2.757 ( 8.046 0.000 -4.339) 9.142 2.855 ( -3.943 0.000 4.094) 5.684 2.977 ( -5.276 0.000 -0.518) 5.301 3.230 ( 4.883 0.000 -8.984) 10.226 3.241 ( -1.074 0.000 -4.594) 4.718 3.400 ( 10.114 0.000 -0.184) 10.115 3.426 ( 15.573 0.000 9.125) 18.049 3.562 ( 12.148 0.000 0.319) 12.152 3.613 ( 3.647 0.000 -8.933) 9.649 3.775 ( 4.346 0.000 4.343) 6.144 3.786 ( 13.371 0.000 2.478) 13.599 4.276 ( 1.148 0.000 -11.320) 11.378 4.377 ( 4.488 0.000 -8.782) 9.862 4.653 ( -3.670 0.000 -0.362) 3.688 4.838 ( -5.797 0.000 7.238) 9.273 4.931 ( -3.455 0.000 0.612) 3.509 4.953 ( 16.623 0.000 -1.320) 16.676 5.324 ( 0.211 0.000 0.800) 0.828 5.478 ( 6.702 0.000 11.482) 13.294 5.510 ( -0.075 0.000 -4.194) 4.195 5.612 ( -1.082 0.000 -0.100) 1.087 5.662 ( -3.158 0.000 5.191) 6.076 5.702 ( 9.204 0.000 3.270) 9.768 5.902 ( 13.818 0.000 -3.296) 14.206 6.176 ( 3.164 0.000 3.369) 4.622 6.189 ( 2.586 0.000 -7.631) 8.058 6.377 ( 10.048 0.000 -2.547) 10.366 6.517 ( -1.473 0.000 -1.214) 1.909 6.602 ( 7.885 0.000 2.862) 8.389 6.842 ( 0.964 0.000 4.661) 4.759 6.881 ( -4.924 0.000 3.473) 6.026 7.395 ( -6.096 0.000 3.007) 6.797 7.551 ( -8.549 0.000 0.095) 8.550 7.877 ( 11.422 0.000 2.131) 11.619 7.896 ( 7.606 0.000 -0.102) 7.607 8.008 ( 8.599 0.000 5.665) 10.297 8.369 ( -1.217 0.000 -0.240) 1.240 8.488 ( 10.792 0.000 -3.459) 11.333 8.521 ( 4.861 0.000 -6.244) 7.913 9.118 ( 7.987 0.000 2.852) 8.481 9.218 ( 6.198 0.000 -3.717) 7.227 9.664 ( 0.500 0.000 1.998) 2.059 9.664 ( 1.599 0.000 0.022) 1.599 9.931 ( 5.759 0.000 1.851) 6.049 10.021 ( 6.017 0.000 0.122) 6.018 10.381 ( -6.087 0.000 2.179) 6.465 10.463 ( -4.497 0.000 3.095) 5.460 11.393 ( 6.656 0.000 -2.165) 7.000 11.429 ( 5.867 0.000 -1.167) 5.982 11.708 ( 1.026 0.000 1.885) 2.146 11.782 ( -1.224 0.000 -0.952) 1.551 12.552 ( -13.254 0.000 3.584) 13.730 12.763 ( -6.398 0.000 -6.078) 8.825 12.846 ( -1.023 0.000 -3.314) 3.468 12.894 ( 10.103 0.000 -0.120) 10.103 13.254 ( -16.118 0.000 -3.760) 16.551 13.398 ( -21.612 0.000 1.092) 21.640 13.426 ( -23.283 0.000 -0.439) 23.287 13.461 ( -17.566 0.000 1.641) 17.642 14.279 ( -24.549 0.000 0.249) 24.551 14.295 ( -24.282 0.000 -1.245) 24.314 14.950 ( -8.931 0.000 0.330) 8.937 15.011 ( -8.718 0.000 -2.481) 9.064 15.786 ( 34.974 0.000 -5.304) 35.374 15.855 ( 32.038 0.000 -1.236) 32.062 17.827 ( 33.825 0.000 0.469) 33.828 18.057 ( 30.858 0.000 -7.688) 31.802 19.040 ( -26.792 0.000 0.551) 26.797 19.056 ( -26.798 0.000 -0.766) 26.809 21.402 ( -9.528 0.000 0.712) 9.555 21.410 ( -9.342 0.000 -1.116) 9.408 22.232 ( 3.745 0.000 2.476) 4.490 22.239 ( 3.378 0.000 -1.404) 3.658 22.576 ( 13.233 0.000 7.303) 15.115 22.862 ( 11.147 0.000 0.291) 11.151 27.722 ( 0.070 0.000 0.120) 0.139 27.731 ( 0.126 0.000 0.001) 0.126 28.207 ( -4.978 0.000 0.788) 5.040 28.217 ( -4.819 0.000 0.097) 4.820 29.015 ( 27.090 0.000 -1.558) 27.134 29.084 ( 15.361 0.000 -3.009) 15.653 29.187 ( 15.805 0.000 1.368) 15.864 29.415 ( 30.454 0.000 -13.861) 33.460 29.972 ( 6.647 0.000 2.118) 6.976 29.992 ( 5.129 0.000 -0.636) 5.168 30.380 ( 9.613 0.000 6.087) 11.378 30.567 ( 3.231 0.000 -6.872) 7.594 31.203 ( -0.337 0.000 6.848) 6.856 31.522 ( -3.638 0.000 -6.876) 7.779 32.005 ( -12.543 0.000 1.446) 12.626 32.044 ( -6.662 0.000 4.365) 7.965 32.087 ( -12.128 0.000 5.918) 13.495 32.439 ( -7.993 0.000 -2.747) 8.452 32.674 ( -20.774 0.000 7.337) 22.032 32.896 ( -17.750 0.000 -6.624) 18.946 ======================= Grid point 108 (52/96) ======================= q-point: ( 0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 11.444 0.000 -4.222) 12.198 1.603 ( 0.322 0.000 0.601) 0.682 1.603 ( 0.358 0.000 3.762) 3.779 1.692 ( -1.898 0.000 -3.029) 3.575 1.695 ( 4.281 0.000 -1.638) 4.584 1.721 ( 0.406 0.000 -0.128) 0.426 1.855 ( 10.641 0.000 -8.159) 13.409 2.119 ( -0.422 0.000 0.693) 0.811 2.203 ( 6.244 0.000 -7.782) 9.978 2.306 ( 3.633 0.000 -0.161) 3.637 2.326 ( 5.572 0.000 -0.516) 5.596 2.562 ( 2.399 0.000 5.045) 5.586 2.597 ( 9.093 0.000 4.338) 10.075 2.718 ( -7.324 0.000 -1.998) 7.591 2.747 ( -2.588 0.000 1.119) 2.820 3.037 ( 6.780 0.000 -1.335) 6.910 3.248 ( 5.588 0.000 -0.434) 5.605 3.310 ( 2.449 0.000 -9.226) 9.546 3.440 ( -2.069 0.000 -2.465) 3.218 3.493 ( -2.734 0.000 7.082) 7.591 3.637 ( -2.208 0.000 -6.267) 6.645 3.760 ( 1.808 0.000 -4.201) 4.573 3.955 ( 6.181 0.000 3.697) 7.202 4.013 ( 2.972 0.000 11.717) 12.088 4.454 ( 14.900 0.000 -6.580) 16.288 4.490 ( 4.063 0.000 -2.519) 4.780 4.601 ( 4.865 0.000 -0.643) 4.907 4.741 ( -2.942 0.000 5.830) 6.530 4.794 ( -8.888 0.000 -0.842) 8.928 5.180 ( 4.941 0.000 -1.927) 5.303 5.344 ( 1.860 0.000 0.611) 1.958 5.424 ( -3.565 0.000 5.494) 6.549 5.473 ( -2.283 0.000 1.031) 2.505 5.597 ( -0.257 0.000 0.113) 0.281 5.787 ( 9.418 0.000 4.325) 10.364 5.935 ( 11.175 0.000 4.738) 12.138 6.066 ( -1.817 0.000 4.142) 4.523 6.162 ( -2.032 0.000 -10.910) 11.097 6.316 ( 2.652 0.000 5.748) 6.330 6.589 ( 3.778 0.000 -3.240) 4.977 6.648 ( 18.208 0.000 -3.981) 18.638 6.770 ( 7.231 0.000 3.452) 8.012 6.867 ( 4.245 0.000 4.318) 6.055 6.959 ( 11.523 0.000 -1.129) 11.579 7.354 ( 4.274 0.000 -2.727) 5.070 7.379 ( -7.032 0.000 -1.226) 7.138 8.060 ( 8.473 0.000 3.796) 9.285 8.115 ( 9.031 0.000 3.617) 9.728 8.259 ( 13.675 0.000 2.044) 13.826 8.355 ( 2.749 0.000 -0.255) 2.761 8.656 ( 9.163 0.000 -9.644) 13.303 8.747 ( 12.601 0.000 -6.636) 14.242 9.269 ( 6.087 0.000 3.919) 7.239 9.339 ( 5.381 0.000 0.214) 5.385 9.750 ( 8.648 0.000 -1.632) 8.801 9.771 ( 8.926 0.000 -2.320) 9.223 9.989 ( -0.116 0.000 -1.026) 1.032 10.029 ( -3.645 0.000 -1.537) 3.956 10.352 ( 4.674 0.000 6.098) 7.683 10.494 ( 7.576 0.000 6.472) 9.964 11.572 ( 8.856 0.000 -1.732) 9.024 11.595 ( 9.525 0.000 -0.593) 9.543 11.739 ( 1.728 0.000 4.246) 4.584 11.766 ( 0.062 0.000 0.524) 0.527 12.215 ( -19.481 0.000 3.259) 19.752 12.378 ( -19.778 0.000 -6.947) 20.963 12.619 ( -29.557 0.000 0.597) 29.563 12.622 ( -30.554 0.000 0.884) 30.567 12.932 ( -15.381 0.000 -3.148) 15.700 13.086 ( -18.713 0.000 1.076) 18.744 13.193 ( -3.702 0.000 -2.018) 4.216 13.241 ( -4.377 0.000 0.238) 4.384 13.831 ( -11.773 0.000 -0.280) 11.776 13.837 ( -13.935 0.000 -0.666) 13.951 14.732 ( -11.853 0.000 0.430) 11.861 14.779 ( -12.985 0.000 -1.415) 13.062 16.514 ( 34.332 0.000 -7.362) 35.112 16.528 ( 32.033 0.000 -1.364) 32.062 18.457 ( -3.612 0.000 0.371) 3.631 18.475 ( -13.657 0.000 -0.855) 13.684 18.632 ( 17.329 0.000 0.673) 17.342 18.798 ( 25.121 0.000 -5.075) 25.628 21.121 ( -18.201 0.000 1.119) 18.235 21.136 ( -17.549 0.000 -1.116) 17.584 22.315 ( 5.267 0.000 -0.489) 5.290 22.328 ( 6.001 0.000 1.307) 6.141 22.777 ( 5.016 0.000 5.632) 7.541 22.994 ( 1.512 0.000 0.541) 1.605 27.733 ( 1.077 0.000 0.047) 1.078 27.742 ( 1.053 0.000 0.000) 1.053 28.094 ( -5.823 0.000 0.714) 5.867 28.105 ( -5.949 0.000 -0.067) 5.949 29.401 ( 15.663 0.000 -2.162) 15.811 29.439 ( 15.893 0.000 -2.955) 16.166 29.640 ( 24.146 0.000 2.263) 24.252 29.967 ( 21.877 0.000 -12.900) 25.397 30.094 ( 5.351 0.000 -0.493) 5.374 30.102 ( 6.430 0.000 1.144) 6.531 30.601 ( 11.111 0.000 5.801) 12.534 30.671 ( 7.444 0.000 -2.450) 7.837 31.212 ( 0.607 0.000 7.114) 7.140 31.426 ( -5.867 0.000 -4.067) 7.138 31.766 ( -10.673 0.000 1.716) 10.810 31.782 ( -15.536 0.000 2.590) 15.751 31.923 ( -6.044 0.000 3.218) 6.847 32.195 ( -14.015 0.000 -3.239) 14.384 32.350 ( -11.441 0.000 5.997) 12.918 32.535 ( -16.721 0.000 -5.864) 17.719 ======================= Grid point 109 (53/96) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( -0.242 0.000 -0.113) 0.267 1.594 ( -1.002 0.000 2.243) 2.456 1.610 ( -2.149 0.000 -0.508) 2.208 1.654 ( -0.866 0.000 -1.360) 1.612 1.709 ( 3.532 0.000 0.932) 3.653 1.941 ( 12.957 0.000 -4.726) 13.792 2.075 ( 6.810 0.000 -1.296) 6.932 2.084 ( -3.531 0.000 0.313) 3.545 2.251 ( -2.808 0.000 -1.731) 3.299 2.382 ( -0.318 0.000 -0.711) 0.779 2.440 ( 9.067 0.000 -5.268) 10.487 2.580 ( -0.445 0.000 1.780) 1.834 2.628 ( -0.355 0.000 2.762) 2.785 2.668 ( 5.659 0.000 -3.511) 6.660 2.869 ( 8.708 0.000 4.930) 10.007 3.098 ( -1.860 0.000 -3.120) 3.633 3.330 ( 0.955 0.000 -2.273) 2.465 3.353 ( -6.280 0.000 0.537) 6.303 3.434 ( 8.184 0.000 -2.458) 8.545 3.441 ( -3.575 0.000 7.747) 8.532 3.554 ( -3.165 0.000 -12.121) 12.527 3.663 ( -9.912 0.000 -1.676) 10.053 3.954 ( -2.958 0.000 5.562) 6.300 3.997 ( -1.616 0.000 2.378) 2.875 4.502 ( -5.347 0.000 3.966) 6.657 4.637 ( 2.032 0.000 6.368) 6.684 4.687 ( 6.758 0.000 -8.047) 10.508 4.747 ( 3.612 0.000 -0.858) 3.712 4.828 ( 9.548 0.000 -3.730) 10.251 5.255 ( 2.784 0.000 3.806) 4.715 5.392 ( 0.379 0.000 2.817) 2.842 5.402 ( 3.009 0.000 3.387) 4.531 5.449 ( 0.819 0.000 4.622) 4.694 5.618 ( 3.232 0.000 -1.577) 3.596 5.895 ( -2.994 0.000 -0.511) 3.037 6.012 ( -0.773 0.000 5.571) 5.625 6.041 ( -1.078 0.000 -3.202) 3.378 6.176 ( 2.107 0.000 -5.411) 5.807 6.373 ( 6.357 0.000 5.650) 8.505 6.576 ( -0.572 0.000 -0.007) 0.572 6.875 ( 4.971 0.000 -1.130) 5.098 6.877 ( -0.328 0.000 0.446) 0.554 6.933 ( 4.572 0.000 2.353) 5.142 7.092 ( -6.364 0.000 0.916) 6.429 7.488 ( 17.713 0.000 -5.725) 18.615 7.533 ( 9.393 0.000 -2.627) 9.754 8.166 ( -1.201 0.000 5.527) 5.656 8.185 ( 2.143 0.000 5.192) 5.617 8.510 ( 10.052 0.000 -2.048) 10.258 8.510 ( 8.234 0.000 -2.500) 8.605 8.884 ( 11.324 0.000 -12.131) 16.595 8.953 ( 6.686 0.000 -9.287) 11.443 9.378 ( 5.017 0.000 4.184) 6.532 9.442 ( 4.550 0.000 1.757) 4.878 9.825 ( -4.040 0.000 0.187) 4.045 9.833 ( -3.321 0.000 0.623) 3.379 10.189 ( 23.335 0.000 -1.461) 23.381 10.209 ( 24.098 0.000 -2.387) 24.216 10.535 ( 11.428 0.000 6.107) 12.957 10.705 ( 11.227 0.000 4.653) 12.153 11.599 ( -10.493 0.000 7.260) 12.760 11.647 ( -20.400 0.000 1.383) 20.447 11.656 ( -22.497 0.000 -0.316) 22.499 11.723 ( -16.411 0.000 8.551) 18.505 11.841 ( 7.377 0.000 -0.145) 7.378 12.097 ( -0.225 0.000 -2.672) 2.681 12.150 ( -5.706 0.000 -2.119) 6.086 12.160 ( -5.073 0.000 -4.988) 7.114 12.610 ( -15.695 0.000 -2.597) 15.908 12.695 ( -19.868 0.000 1.472) 19.922 12.876 ( -21.018 0.000 -2.715) 21.192 12.886 ( -22.125 0.000 -0.074) 22.125 13.887 ( 12.776 0.000 -0.237) 12.778 13.916 ( 12.796 0.000 -0.700) 12.815 14.471 ( -13.586 0.000 0.167) 13.587 14.495 ( -14.648 0.000 -0.589) 14.660 17.131 ( 26.791 0.000 -1.423) 26.829 17.150 ( 27.926 0.000 -5.945) 28.552 18.046 ( -21.798 0.000 -0.339) 21.801 18.080 ( -19.996 0.000 -1.654) 20.065 19.341 ( 36.140 0.000 1.537) 36.173 19.463 ( 34.016 0.000 -2.858) 34.136 20.660 ( -26.702 0.000 1.675) 26.755 20.694 ( -25.426 0.000 -1.090) 25.450 22.463 ( 8.961 0.000 0.612) 8.982 22.483 ( 8.923 0.000 0.407) 8.932 22.785 ( -3.846 0.000 3.392) 5.128 22.936 ( -6.556 0.000 -0.447) 6.571 27.768 ( 2.296 0.000 -0.025) 2.296 27.776 ( 2.209 0.000 -0.010) 2.209 27.978 ( -5.230 0.000 0.457) 5.250 27.986 ( -5.338 0.000 -0.220) 5.342 29.700 ( 12.798 0.000 -2.847) 13.111 29.724 ( 11.543 0.000 -2.843) 11.888 29.962 ( 5.291 0.000 1.376) 5.467 30.085 ( -1.638 0.000 -1.432) 2.176 30.311 ( 15.092 0.000 1.767) 15.195 30.404 ( 16.786 0.000 -6.428) 17.975 30.804 ( 7.016 0.000 3.943) 8.048 30.864 ( 10.411 0.000 -0.207) 10.413 31.187 ( -4.306 0.000 6.665) 7.935 31.266 ( -9.309 0.000 -2.664) 9.683 31.495 ( -11.206 0.000 1.016) 11.252 31.574 ( -8.149 0.000 1.268) 8.247 31.860 ( 1.340 0.000 1.210) 1.805 31.982 ( -5.593 0.000 -1.844) 5.889 32.143 ( -9.294 0.000 2.257) 9.564 32.221 ( -13.606 0.000 -3.550) 14.062 ======================= Grid point 110 (54/96) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -0.451 0.000 2.863) 2.898 1.550 ( -3.076 0.000 -0.913) 3.208 1.583 ( -0.079 0.000 2.559) 2.560 1.635 ( -0.447 0.000 -0.285) 0.530 1.847 ( 7.651 0.000 2.572) 8.072 1.942 ( -9.042 0.000 -3.306) 9.627 2.116 ( 3.869 0.000 -0.872) 3.966 2.131 ( -1.310 0.000 2.502) 2.824 2.170 ( -2.249 0.000 -0.370) 2.280 2.335 ( -3.898 0.000 -1.997) 4.380 2.546 ( -4.469 0.000 0.835) 4.547 2.579 ( 3.842 0.000 -2.288) 4.472 2.709 ( 7.718 0.000 4.370) 8.870 2.849 ( 8.353 0.000 -7.025) 10.914 2.966 ( -9.858 0.000 -8.164) 12.800 3.022 ( 5.294 0.000 0.810) 5.356 3.176 ( -9.983 0.000 0.683) 10.006 3.260 ( -11.159 0.000 7.449) 13.417 3.388 ( 4.244 0.000 -0.971) 4.353 3.449 ( -4.322 0.000 3.817) 5.766 3.481 ( -5.817 0.000 -0.988) 5.900 3.571 ( 2.330 0.000 -6.097) 6.527 3.979 ( 1.957 0.000 1.440) 2.430 4.011 ( 6.648 0.000 1.147) 6.747 4.339 ( -6.850 0.000 8.556) 10.960 4.775 ( 2.911 0.000 -8.275) 8.772 4.824 ( 2.327 0.000 -5.740) 6.194 4.844 ( 14.005 0.000 2.861) 14.294 4.957 ( 3.622 0.000 -2.298) 4.290 5.183 ( -6.903 0.000 -4.470) 8.224 5.439 ( 0.827 0.000 3.494) 3.590 5.456 ( 0.978 0.000 5.427) 5.515 5.582 ( 11.714 0.000 11.473) 16.397 5.742 ( 7.244 0.000 -0.205) 7.247 5.793 ( -3.330 0.000 1.666) 3.724 5.955 ( -5.106 0.000 -1.821) 5.421 5.994 ( -2.300 0.000 -4.046) 4.654 6.123 ( -5.276 0.000 -9.043) 10.470 6.553 ( 7.755 0.000 4.968) 9.210 6.636 ( 4.987 0.000 5.703) 7.576 6.793 ( -7.289 0.000 -1.955) 7.547 6.859 ( -7.492 0.000 -1.120) 7.575 6.971 ( -1.589 0.000 2.326) 2.817 7.024 ( 3.274 0.000 0.716) 3.352 7.636 ( -0.798 0.000 -0.198) 0.822 7.683 ( -1.043 0.000 -3.494) 3.646 8.158 ( -3.201 0.000 3.142) 4.486 8.175 ( 2.822 0.000 2.364) 3.681 8.585 ( -1.313 0.000 -0.958) 1.625 8.648 ( 2.986 0.000 -4.241) 5.187 8.984 ( -2.356 0.000 -9.481) 9.769 8.984 ( -3.376 0.000 -9.163) 9.765 9.452 ( -0.294 0.000 3.621) 3.633 9.508 ( 0.409 0.000 1.155) 1.225 9.754 ( -0.556 0.000 1.715) 1.803 9.775 ( -0.976 0.000 0.923) 1.344 10.654 ( -1.963 0.000 0.741) 2.098 10.682 ( 0.910 0.000 -0.558) 1.067 10.826 ( 9.616 0.000 1.119) 9.681 10.832 ( -2.409 0.000 0.679) 2.503 11.037 ( -2.641 0.000 3.500) 4.384 11.092 ( -0.160 0.000 1.380) 1.389 11.520 ( 3.957 0.000 8.990) 9.822 11.531 ( -3.336 0.000 8.379) 9.018 12.051 ( 7.729 0.000 -1.123) 7.810 12.109 ( -4.508 0.000 -3.580) 5.756 12.223 ( -8.091 0.000 -0.961) 8.148 12.229 ( -1.372 0.000 -0.351) 1.417 12.334 ( -4.343 0.000 1.177) 4.499 12.412 ( 10.578 0.000 -3.280) 11.075 12.571 ( -4.287 0.000 -1.444) 4.524 12.638 ( 2.689 0.000 -2.784) 3.870 14.167 ( -2.076 0.000 0.201) 2.086 14.169 ( -8.298 0.000 -0.028) 8.298 14.207 ( 2.180 0.000 -0.614) 2.265 14.213 ( 7.780 0.000 -0.590) 7.802 17.581 ( -19.604 0.000 -1.034) 19.631 17.634 ( 18.235 0.000 -0.965) 18.261 17.649 ( 4.710 0.000 -3.971) 6.160 17.674 ( -3.285 0.000 -3.005) 4.452 20.037 ( -5.649 0.000 1.703) 5.901 20.051 ( 4.510 0.000 2.093) 4.972 20.085 ( -15.410 0.000 -0.496) 15.418 20.156 ( 14.806 0.000 -2.093) 14.953 22.642 ( -2.321 0.000 1.169) 2.599 22.657 ( 3.980 0.000 0.659) 4.034 22.674 ( 3.813 0.000 2.407) 4.509 22.776 ( -4.799 0.000 -1.965) 5.186 27.809 ( 0.425 0.000 -0.031) 0.426 27.810 ( -0.252 0.000 -0.076) 0.263 27.906 ( -0.341 0.000 0.279) 0.441 27.919 ( 0.364 0.000 -0.249) 0.441 29.837 ( -2.844 0.000 -2.528) 3.805 29.850 ( -1.327 0.000 -3.064) 3.339 30.008 ( 3.139 0.000 0.872) 3.258 30.051 ( 1.548 0.000 -0.886) 1.784 30.543 ( -0.334 0.000 2.125) 2.151 30.649 ( 4.026 0.000 -2.970) 5.003 30.826 ( 0.109 0.000 1.160) 1.166 30.956 ( -3.015 0.000 -5.253) 6.056 31.110 ( -4.033 0.000 5.551) 6.861 31.190 ( 5.472 0.000 2.888) 6.187 31.367 ( 0.707 0.000 2.547) 2.643 31.444 ( -3.352 0.000 0.239) 3.360 31.964 ( 2.462 0.000 -0.044) 2.462 31.977 ( -1.947 0.000 -0.443) 1.997 31.989 ( -4.233 0.000 -0.817) 4.312 32.009 ( 4.658 0.000 -1.384) 4.860 ======================= Grid point 111 (55/96) ======================= q-point: (-0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -1.692 0.000 -2.906) 3.362 1.514 ( -1.165 0.000 4.460) 4.609 1.591 ( 0.690 0.000 3.295) 3.366 1.640 ( 0.879 0.000 -1.250) 1.528 1.764 ( -6.737 0.000 -4.851) 8.302 1.932 ( -1.252 0.000 0.933) 1.561 2.090 ( -0.733 0.000 2.160) 2.281 2.145 ( -1.681 0.000 -1.373) 2.170 2.184 ( 2.849 0.000 0.963) 3.007 2.202 ( -11.151 0.000 -4.332) 11.963 2.350 ( -11.618 0.000 -1.241) 11.684 2.616 ( 0.418 0.000 -0.421) 0.593 2.771 ( -3.184 0.000 -7.053) 7.738 2.809 ( -8.372 0.000 -2.416) 8.713 2.901 ( 6.032 0.000 4.685) 7.638 3.026 ( -4.735 0.000 7.014) 8.463 3.062 ( -7.767 0.000 10.263) 12.870 3.085 ( -5.930 0.000 -1.239) 6.058 3.368 ( 6.524 0.000 2.954) 7.161 3.471 ( 2.465 0.000 -2.659) 3.626 3.519 ( 4.109 0.000 -2.944) 5.055 3.622 ( 3.509 0.000 -2.118) 4.099 4.041 ( -6.263 0.000 3.886) 7.371 4.050 ( 2.692 0.000 0.540) 2.746 4.337 ( 7.140 0.000 3.997) 8.182 4.773 ( -3.237 0.000 -7.379) 8.058 4.841 ( -0.034 0.000 -7.079) 7.079 4.986 ( 0.267 0.000 -4.461) 4.469 5.061 ( -3.435 0.000 -6.701) 7.530 5.135 ( 12.005 0.000 0.116) 12.006 5.457 ( -1.365 0.000 2.664) 2.993 5.465 ( 1.791 0.000 3.900) 4.291 5.685 ( -0.041 0.000 6.369) 6.369 5.740 ( -7.964 0.000 -3.021) 8.518 5.817 ( -6.286 0.000 -2.037) 6.608 5.916 ( 9.953 0.000 6.324) 11.792 6.035 ( 0.724 0.000 -5.262) 5.312 6.077 ( 7.460 0.000 -1.614) 7.633 6.477 ( -13.090 0.000 4.542) 13.855 6.559 ( -15.007 0.000 0.253) 15.009 6.728 ( 2.428 0.000 2.672) 3.610 6.844 ( 2.092 0.000 2.146) 2.997 6.946 ( 1.119 0.000 -0.014) 1.119 7.036 ( -4.283 0.000 2.858) 5.149 7.473 ( -12.351 0.000 -3.635) 12.875 7.501 ( -14.059 0.000 -1.877) 14.183 8.132 ( 0.401 0.000 5.399) 5.414 8.244 ( 2.842 0.000 1.981) 3.464 8.461 ( -10.677 0.000 -0.517) 10.690 8.580 ( -10.508 0.000 -6.144) 12.173 8.813 ( -12.439 0.000 -8.503) 15.068 8.854 ( -7.027 0.000 -5.443) 8.888 9.336 ( -8.760 0.000 6.067) 10.656 9.420 ( -7.745 0.000 2.398) 8.108 9.806 ( 2.140 0.000 0.875) 2.312 9.828 ( 5.076 0.000 0.711) 5.126 10.187 ( -23.840 0.000 -1.095) 23.866 10.195 ( -22.359 0.000 -0.608) 22.367 10.670 ( -11.820 0.000 1.031) 11.865 10.717 ( -8.855 0.000 3.410) 9.489 11.578 ( 22.623 0.000 4.941) 23.156 11.584 ( 16.852 0.000 1.695) 16.937 11.690 ( 8.456 0.000 2.988) 8.969 11.801 ( 19.144 0.000 6.006) 20.064 11.956 ( -6.479 0.000 -4.654) 7.977 11.992 ( 0.088 0.000 2.155) 2.157 12.100 ( 9.580 0.000 -1.492) 9.696 12.110 ( 4.069 0.000 -2.923) 5.010 12.592 ( 15.909 0.000 -0.890) 15.934 12.791 ( 20.809 0.000 -0.180) 20.809 12.793 ( 19.047 0.000 -2.309) 19.186 12.908 ( 21.043 0.000 -1.228) 21.079 13.883 ( -12.879 0.000 0.434) 12.886 13.887 ( -12.397 0.000 -0.508) 12.407 14.485 ( 13.185 0.000 0.045) 13.185 14.500 ( 14.561 0.000 -1.058) 14.600 17.056 ( -28.331 0.000 -1.631) 28.378 17.199 ( -24.650 0.000 -5.204) 25.193 18.063 ( 20.526 0.000 -0.680) 20.537 18.088 ( 20.125 0.000 -1.961) 20.221 19.322 ( -36.660 0.000 2.590) 36.751 19.403 ( -35.854 0.000 -1.326) 35.879 20.641 ( 25.782 0.000 1.285) 25.814 20.722 ( 25.398 0.000 -0.916) 25.414 22.479 ( -7.918 0.000 0.651) 7.945 22.506 ( -10.386 0.000 -1.397) 10.479 22.831 ( 5.524 0.000 3.727) 6.664 22.876 ( 6.073 0.000 0.052) 6.073 27.771 ( -2.192 0.000 -0.162) 2.198 27.776 ( -2.207 0.000 0.011) 2.207 27.974 ( 5.380 0.000 0.302) 5.388 27.995 ( 5.618 0.000 -0.213) 5.622 29.666 ( -11.919 0.000 -1.784) 12.052 29.679 ( -12.433 0.000 -1.080) 12.480 30.034 ( -4.101 0.000 0.622) 4.148 30.106 ( 0.847 0.000 -3.689) 3.785 30.281 ( -17.101 0.000 0.478) 17.108 30.474 ( -16.158 0.000 -6.978) 17.601 30.821 ( -8.371 0.000 2.123) 8.636 30.924 ( -3.982 0.000 -2.255) 4.577 31.067 ( 3.932 0.000 5.666) 6.897 31.352 ( 11.961 0.000 3.967) 12.602 31.478 ( 4.432 0.000 -0.375) 4.448 31.500 ( 9.379 0.000 2.828) 9.796 31.898 ( 0.475 0.000 1.652) 1.719 31.959 ( 3.270 0.000 -2.821) 4.318 32.097 ( 8.595 0.000 1.266) 8.688 32.280 ( 15.645 0.000 -3.027) 15.936 ======================= Grid point 112 (56/96) ======================= q-point: (-0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -7.207 0.000 3.367) 7.955 1.505 ( 2.984 0.000 -3.219) 4.389 1.609 ( 0.863 0.000 3.647) 3.748 1.655 ( -0.785 0.000 -1.743) 1.912 1.671 ( -4.632 0.000 -2.538) 5.282 1.822 ( -12.782 0.000 -7.444) 14.792 1.847 ( -4.422 0.000 -2.421) 5.042 2.092 ( 0.342 0.000 2.264) 2.289 2.110 ( -3.552 0.000 -1.023) 3.697 2.224 ( 0.025 0.000 0.528) 0.528 2.234 ( -2.915 0.000 -0.790) 3.020 2.620 ( -4.071 0.000 -0.054) 4.071 2.659 ( -0.415 0.000 1.332) 1.395 2.724 ( -2.757 0.000 1.887) 3.341 2.857 ( -9.328 0.000 4.839) 10.508 2.922 ( -1.013 0.000 -0.788) 1.283 3.022 ( 0.093 0.000 0.943) 0.948 3.040 ( 2.311 0.000 3.623) 4.298 3.443 ( -4.516 0.000 -3.263) 5.572 3.529 ( 1.588 0.000 1.808) 2.406 3.595 ( 5.411 0.000 0.233) 5.416 3.720 ( 4.872 0.000 -0.694) 4.921 3.867 ( -8.476 0.000 1.739) 8.653 4.012 ( -7.332 0.000 2.062) 7.616 4.488 ( 4.733 0.000 -1.870) 5.089 4.668 ( -5.846 0.000 -0.719) 5.890 4.840 ( 0.085 0.000 -10.142) 10.142 4.961 ( -2.907 0.000 0.134) 2.910 4.977 ( -9.124 0.000 -9.508) 13.178 5.243 ( -6.448 0.000 -8.026) 10.295 5.371 ( -4.984 0.000 -2.324) 5.499 5.475 ( -1.347 0.000 0.067) 1.348 5.585 ( -2.899 0.000 3.971) 4.917 5.638 ( -2.072 0.000 10.731) 10.930 5.786 ( 1.891 0.000 -3.144) 3.669 6.017 ( -2.561 0.000 1.301) 2.872 6.019 ( -1.557 0.000 -7.015) 7.186 6.188 ( -5.519 0.000 3.303) 6.432 6.279 ( -2.698 0.000 10.905) 11.233 6.350 ( 4.413 0.000 2.157) 4.912 6.612 ( -21.059 0.000 -5.652) 21.804 6.740 ( -8.698 0.000 5.259) 10.164 6.839 ( -4.993 0.000 6.296) 8.036 6.943 ( -11.392 0.000 -2.447) 11.652 7.311 ( 3.281 0.000 -0.895) 3.401 7.345 ( 0.633 0.000 -1.471) 1.601 8.081 ( -8.181 0.000 5.517) 9.867 8.168 ( -15.813 0.000 0.235) 15.815 8.281 ( 0.204 0.000 1.241) 1.258 8.350 ( -6.867 0.000 -1.955) 7.140 8.557 ( -10.197 0.000 -7.006) 12.372 8.716 ( -6.844 0.000 -7.067) 9.838 9.149 ( -9.798 0.000 7.195) 12.156 9.249 ( -8.306 0.000 4.825) 9.606 9.768 ( -4.272 0.000 -1.740) 4.613 9.776 ( -7.470 0.000 -2.258) 7.804 9.975 ( -2.255 0.000 2.042) 3.042 9.992 ( 0.103 0.000 0.353) 0.368 10.470 ( -5.674 0.000 1.836) 5.964 10.546 ( -5.966 0.000 3.017) 6.685 11.518 ( -11.896 0.000 0.279) 11.899 11.519 ( -10.307 0.000 1.042) 10.359 11.883 ( -1.904 0.000 -4.667) 5.040 11.938 ( 0.996 0.000 -2.134) 2.355 12.068 ( 18.480 0.000 4.897) 19.118 12.250 ( 22.071 0.000 1.800) 22.144 12.631 ( 28.940 0.000 0.471) 28.943 12.644 ( 30.188 0.000 0.128) 30.189 12.903 ( 15.105 0.000 -1.391) 15.169 13.129 ( 6.374 0.000 0.025) 6.374 13.134 ( 12.824 0.000 -0.745) 12.846 13.264 ( 8.999 0.000 -1.596) 9.139 13.824 ( 11.921 0.000 -0.265) 11.924 13.828 ( 14.316 0.000 -0.231) 14.317 14.741 ( 11.658 0.000 0.509) 11.669 14.780 ( 12.736 0.000 -1.850) 12.869 16.426 ( -32.748 0.000 -2.395) 32.835 16.638 ( -30.279 0.000 -7.730) 31.250 18.424 ( -1.972 0.000 1.211) 2.314 18.447 ( 2.375 0.000 0.854) 2.523 18.638 ( -12.323 0.000 1.423) 12.404 18.717 ( -17.391 0.000 -3.185) 17.680 21.090 ( 17.882 0.000 0.893) 17.905 21.164 ( 17.598 0.000 -0.688) 17.611 22.316 ( -7.744 0.000 -0.979) 7.806 22.346 ( -4.939 0.000 0.358) 4.952 22.859 ( -3.612 0.000 5.583) 6.649 22.927 ( -1.851 0.000 0.630) 1.955 27.739 ( -0.972 0.000 -0.152) 0.984 27.741 ( -1.102 0.000 0.042) 1.103 28.096 ( 6.144 0.000 0.432) 6.160 28.120 ( 6.226 0.000 -0.270) 6.232 29.383 ( -15.228 0.000 -2.261) 15.394 29.390 ( -15.142 0.000 -0.594) 15.154 29.685 ( -25.807 0.000 2.085) 25.891 29.962 ( -19.167 0.000 -13.629) 23.519 30.076 ( -6.206 0.000 0.790) 6.256 30.168 ( -8.709 0.000 -2.421) 9.039 30.587 ( -12.212 0.000 2.028) 12.380 30.790 ( -7.317 0.000 -2.702) 7.800 31.158 ( 3.377 0.000 7.150) 7.907 31.520 ( 2.124 0.000 -6.327) 6.675 31.700 ( 9.716 0.000 2.377) 10.002 31.720 ( 20.410 0.000 8.541) 22.125 32.003 ( 8.654 0.000 4.611) 9.806 32.098 ( 9.277 0.000 -3.698) 9.987 32.304 ( 11.264 0.000 3.023) 11.663 32.620 ( 17.391 0.000 -5.035) 18.105 ======================= Grid point 113 (57/96) ======================= q-point: (-0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -15.325 0.000 7.708) 17.155 1.461 ( -12.789 0.000 4.503) 13.558 1.594 ( -1.120 0.000 -0.699) 1.320 1.631 ( 1.934 0.000 4.081) 4.516 1.631 ( 2.694 0.000 4.175) 4.969 1.813 ( 4.878 0.000 -2.682) 5.567 1.870 ( 6.014 0.000 -6.859) 9.122 2.017 ( -5.721 0.000 0.351) 5.732 2.101 ( 0.844 0.000 -1.621) 1.828 2.168 ( -3.751 0.000 -0.149) 3.754 2.218 ( 0.195 0.000 -2.626) 2.634 2.473 ( -7.542 0.000 0.830) 7.588 2.652 ( -4.231 0.000 -1.039) 4.357 2.672 ( -5.195 0.000 -3.235) 6.120 2.798 ( 6.102 0.000 4.854) 7.797 2.942 ( 1.085 0.000 -2.785) 2.989 3.018 ( -1.145 0.000 -3.377) 3.566 3.035 ( -3.178 0.000 2.729) 4.189 3.311 ( -8.234 0.000 -3.123) 8.806 3.433 ( -9.957 0.000 1.960) 10.148 3.629 ( -4.351 0.000 7.495) 8.666 3.679 ( -11.965 0.000 -6.499) 13.616 3.736 ( -5.860 0.000 -1.881) 6.154 3.856 ( -4.569 0.000 1.157) 4.713 4.410 ( -14.378 0.000 -13.517) 19.734 4.419 ( -17.804 0.000 -4.612) 18.392 4.724 ( -3.584 0.000 -4.723) 5.929 4.779 ( -11.453 0.000 2.716) 11.771 4.915 ( 3.109 0.000 0.373) 3.131 5.065 ( -1.392 0.000 -0.151) 1.400 5.360 ( 1.535 0.000 -3.264) 3.607 5.482 ( -0.105 0.000 -2.967) 2.969 5.550 ( -2.417 0.000 6.875) 7.287 5.624 ( -1.607 0.000 7.961) 8.122 5.759 ( -4.862 0.000 -5.073) 7.026 5.914 ( -5.080 0.000 0.586) 5.114 6.002 ( 1.356 0.000 -7.431) 7.554 6.024 ( -23.285 0.000 -4.715) 23.758 6.150 ( -0.368 0.000 4.186) 4.203 6.287 ( -0.809 0.000 4.926) 4.992 6.533 ( 5.360 0.000 -2.244) 5.811 6.624 ( 1.731 0.000 12.230) 12.351 6.647 ( -12.746 0.000 1.581) 12.844 6.824 ( 1.935 0.000 5.214) 5.561 7.421 ( 5.809 0.000 3.658) 6.865 7.489 ( 9.182 0.000 -1.021) 9.238 7.890 ( -8.064 0.000 2.870) 8.559 7.900 ( -9.017 0.000 -0.033) 9.017 8.228 ( -8.041 0.000 2.143) 8.321 8.241 ( -4.129 0.000 -1.098) 4.273 8.432 ( -1.745 0.000 -4.179) 4.528 8.600 ( -3.439 0.000 -7.793) 8.518 8.955 ( -8.492 0.000 6.021) 10.410 9.110 ( -5.002 0.000 2.984) 5.824 9.702 ( -0.681 0.000 -1.062) 1.261 9.750 ( 2.313 0.000 0.045) 2.313 9.886 ( -7.680 0.000 4.297) 8.800 9.920 ( -6.402 0.000 2.749) 6.967 10.472 ( 4.126 0.000 -0.344) 4.141 10.519 ( 2.508 0.000 1.004) 2.701 11.327 ( -5.551 0.000 -0.281) 5.558 11.350 ( -5.104 0.000 1.176) 5.237 11.839 ( -2.568 0.000 -3.904) 4.673 11.904 ( -2.338 0.000 -4.773) 5.314 12.467 ( 17.172 0.000 5.544) 18.045 12.631 ( 12.101 0.000 -0.240) 12.103 12.786 ( -11.295 0.000 -0.247) 11.298 12.865 ( -7.025 0.000 0.637) 7.054 13.196 ( 14.464 0.000 -0.723) 14.482 13.430 ( 24.132 0.000 0.088) 24.132 13.433 ( 23.430 0.000 -0.431) 23.434 13.584 ( 19.847 0.000 -4.337) 20.316 14.259 ( 24.123 0.000 0.020) 24.123 14.301 ( 25.166 0.000 -0.521) 25.172 14.952 ( 8.232 0.000 0.549) 8.250 15.010 ( 9.368 0.000 -2.882) 9.801 15.764 ( -29.707 0.000 -2.457) 29.808 15.956 ( -35.501 0.000 -8.430) 36.488 17.823 ( -32.097 0.000 2.655) 32.207 17.865 ( -33.602 0.000 -1.078) 33.620 19.021 ( 25.657 0.000 0.682) 25.666 19.062 ( 26.756 0.000 -0.673) 26.765 21.371 ( 9.660 0.000 0.563) 9.677 21.438 ( 9.267 0.000 -0.674) 9.291 22.195 ( -4.140 0.000 0.361) 4.156 22.268 ( -3.686 0.000 0.171) 3.690 22.682 ( -13.041 0.000 6.774) 14.696 22.788 ( -11.400 0.000 0.072) 11.400 27.729 ( -0.204 0.000 0.089) 0.223 27.729 ( -0.052 0.000 -0.129) 0.139 28.214 ( 5.163 0.000 0.380) 5.177 28.236 ( 4.849 0.000 -0.292) 4.858 29.020 ( -23.220 0.000 -2.320) 23.336 29.080 ( -15.240 0.000 -2.132) 15.388 29.174 ( -18.986 0.000 2.398) 19.137 29.419 ( -30.327 0.000 -15.666) 34.135 29.937 ( -7.212 0.000 3.506) 8.019 30.034 ( -5.929 0.000 -1.303) 6.070 30.362 ( -9.335 0.000 1.437) 9.445 30.659 ( -5.129 0.000 -4.889) 7.086 31.211 ( 1.743 0.000 7.755) 7.949 31.552 ( 1.677 0.000 -9.644) 9.789 31.893 ( 8.877 0.000 3.011) 9.374 32.159 ( 19.275 0.000 4.642) 19.826 32.198 ( 9.011 0.000 7.028) 11.428 32.299 ( 10.225 0.000 -3.456) 10.793 32.570 ( 15.916 0.000 6.731) 17.281 32.973 ( 16.760 0.000 -5.703) 17.704 ======================= Grid point 114 (58/96) ======================= q-point: (-0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 4.361 0.000 22.633) 23.050 1.174 ( -13.073 0.000 14.596) 19.595 1.587 ( -0.225 0.000 -2.553) 2.563 1.651 ( 0.018 0.000 5.288) 5.288 1.682 ( 1.170 0.000 3.599) 3.784 1.822 ( -10.845 0.000 9.578) 14.469 1.942 ( -0.941 0.000 1.407) 1.693 1.954 ( 4.350 0.000 -2.587) 5.061 2.049 ( -8.069 0.000 8.493) 11.715 2.135 ( 0.492 0.000 -5.610) 5.632 2.224 ( -0.365 0.000 -7.362) 7.371 2.312 ( -8.260 0.000 3.024) 8.796 2.521 ( -8.563 0.000 -10.803) 13.786 2.602 ( -1.823 0.000 -10.274) 10.434 2.842 ( -10.986 0.000 2.866) 11.354 2.878 ( -0.494 0.000 3.000) 3.040 2.932 ( -10.933 0.000 -4.581) 11.854 2.934 ( 0.529 0.000 0.435) 0.685 3.178 ( -7.669 0.000 0.739) 7.705 3.264 ( 4.232 0.000 -15.283) 15.858 3.371 ( -14.339 0.000 -6.411) 15.707 3.377 ( -12.484 0.000 -6.243) 13.958 3.687 ( 0.518 0.000 5.142) 5.168 3.764 ( -1.490 0.000 -4.252) 4.505 4.145 ( -6.392 0.000 -10.381) 12.191 4.262 ( 0.171 0.000 -0.183) 0.250 4.681 ( -0.614 0.000 -0.891) 1.082 4.687 ( -1.525 0.000 -1.807) 2.364 4.979 ( 2.682 0.000 2.994) 4.019 5.050 ( -2.882 0.000 7.309) 7.857 5.337 ( -5.160 0.000 0.828) 5.225 5.427 ( -2.510 0.000 -5.779) 6.301 5.518 ( -1.221 0.000 4.763) 4.917 5.578 ( -2.954 0.000 4.506) 5.388 5.630 ( -3.318 0.000 -5.844) 6.720 5.724 ( -6.000 0.000 -4.659) 7.597 5.871 ( 0.367 0.000 2.433) 2.461 6.022 ( -0.480 0.000 -3.130) 3.167 6.174 ( 2.150 0.000 1.774) 2.788 6.247 ( -1.726 0.000 -0.291) 1.750 6.426 ( -8.039 0.000 2.890) 8.542 6.569 ( -0.973 0.000 -3.158) 3.305 6.849 ( 15.047 0.000 14.232) 20.711 6.917 ( 5.725 0.000 6.417) 8.600 7.548 ( 5.189 0.000 5.026) 7.224 7.567 ( -2.425 0.000 1.423) 2.812 7.766 ( -4.678 0.000 5.823) 7.469 7.826 ( 0.487 0.000 0.749) 0.893 8.049 ( -7.349 0.000 -1.415) 7.484 8.171 ( -0.709 0.000 -4.249) 4.308 8.440 ( 1.713 0.000 -3.367) 3.777 8.545 ( -2.749 0.000 -4.175) 4.999 8.843 ( -2.185 0.000 5.494) 5.913 9.051 ( -0.942 0.000 -0.835) 1.259 9.674 ( -2.907 0.000 1.638) 3.337 9.706 ( -8.003 0.000 5.200) 9.544 9.823 ( 3.135 0.000 1.323) 3.403 9.825 ( -1.955 0.000 2.056) 2.837 10.554 ( 2.889 0.000 -1.072) 3.081 10.576 ( 1.769 0.000 -0.378) 1.808 11.307 ( 2.819 0.000 -0.558) 2.873 11.326 ( 1.944 0.000 0.612) 2.038 11.784 ( -2.029 0.000 -1.687) 2.638 11.856 ( -1.720 0.000 -5.136) 5.416 12.506 ( -11.567 0.000 -0.289) 11.570 12.549 ( -10.814 0.000 1.696) 10.946 12.741 ( 7.752 0.000 5.444) 9.473 12.890 ( 3.837 0.000 -2.551) 4.608 13.490 ( 13.681 0.000 -0.437) 13.688 13.843 ( 14.613 0.000 -1.131) 14.657 13.845 ( 14.479 0.000 0.570) 14.490 13.950 ( 11.531 0.000 -8.072) 14.075 14.666 ( 13.199 0.000 -0.097) 13.200 14.723 ( 13.091 0.000 -1.172) 13.143 14.982 ( -6.562 0.000 -0.699) 6.599 15.044 ( -13.378 0.000 -4.169) 14.013 15.369 ( -8.731 0.000 -0.212) 8.734 15.388 ( -3.200 0.000 -0.884) 3.320 17.253 ( -22.310 0.000 2.080) 22.406 17.275 ( -21.715 0.000 -1.175) 21.747 19.555 ( 24.496 0.000 2.188) 24.593 19.643 ( 27.831 0.000 -0.858) 27.844 21.494 ( 2.730 0.000 0.233) 2.740 21.545 ( 1.325 0.000 -0.636) 1.470 22.106 ( -13.624 0.000 2.246) 13.808 22.123 ( -4.141 0.000 -0.135) 4.143 22.452 ( -6.140 0.000 4.071) 7.367 22.522 ( -11.485 0.000 -0.784) 11.511 27.729 ( 0.088 0.000 0.116) 0.146 27.732 ( 0.220 0.000 -0.071) 0.231 28.297 ( 2.757 0.000 0.146) 2.761 28.309 ( 2.256 0.000 -0.189) 2.264 28.523 ( -20.571 0.000 -0.059) 20.571 28.643 ( -27.995 0.000 -9.896) 29.692 28.922 ( -7.625 0.000 0.182) 7.627 28.941 ( -11.218 0.000 -0.169) 11.220 29.809 ( -4.828 0.000 6.620) 8.193 29.929 ( -3.926 0.000 -1.370) 4.158 30.218 ( -4.689 0.000 0.805) 4.757 30.576 ( -2.773 0.000 -8.077) 8.540 31.237 ( 0.540 0.000 7.608) 7.627 31.582 ( 1.446 0.000 -11.364) 11.456 32.053 ( 6.273 0.000 4.286) 7.597 32.344 ( 4.512 0.000 8.016) 9.199 32.402 ( 5.978 0.000 -5.110) 7.864 32.490 ( 6.500 0.000 -0.941) 6.568 32.993 ( 22.321 0.000 6.724) 23.312 33.265 ( 10.884 0.000 -4.613) 11.822 ======================= Grid point 115 (59/96) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -0.962 -1.398 21.638) 21.705 1.325 ( -7.423 -7.237 10.318) 14.627 1.452 ( 1.663 5.023 20.504) 21.176 1.646 ( 0.364 1.224 0.424) 1.346 1.695 ( -0.031 -1.968 5.500) 5.842 1.754 ( 0.305 7.344 6.146) 9.581 1.857 ( -1.567 -0.789 0.641) 1.867 1.886 ( -5.411 -8.184 4.510) 10.798 1.977 ( -2.244 4.568 1.118) 5.211 2.100 ( 0.168 0.946 -0.572) 1.118 2.207 ( -3.464 7.267 -2.785) 8.518 2.279 ( -0.093 6.250 -5.747) 8.491 2.397 ( 1.463 -3.935 -9.927) 10.778 2.519 ( -2.842 4.602 -2.787) 6.085 2.690 ( 3.084 -4.026 -2.396) 5.609 2.816 ( 1.411 -6.630 0.105) 6.780 2.888 ( -0.112 3.639 -2.785) 4.584 3.040 ( 3.358 -0.096 0.090) 3.361 3.160 ( 6.259 2.034 -11.759) 13.475 3.209 ( -4.655 4.750 -5.193) 8.438 3.286 ( 3.242 -3.967 -13.048) 14.018 3.383 ( 6.106 1.798 -7.979) 10.207 3.593 ( 1.277 -9.822 -2.029) 10.110 3.737 ( -2.831 -4.298 -5.112) 7.254 4.145 ( 4.595 2.557 -1.355) 5.430 4.261 ( 2.157 -1.621 -2.838) 3.916 4.641 ( -3.329 0.218 -0.347) 3.354 4.682 ( -1.994 -0.980 -1.559) 2.714 4.963 ( -0.791 1.703 7.265) 7.503 5.070 ( 2.650 0.139 2.498) 3.645 5.201 ( -7.668 3.302 6.108) 10.345 5.384 ( -3.758 -3.222 2.877) 5.726 5.515 ( 3.015 2.147 -4.696) 5.980 5.554 ( -0.165 1.468 -2.782) 3.150 5.641 ( 0.614 -0.093 0.179) 0.647 5.733 ( 2.399 3.542 -1.315) 4.475 5.843 ( -1.401 -3.455 1.429) 3.992 5.925 ( -0.717 -5.510 0.199) 5.560 6.141 ( 1.145 -3.771 0.687) 4.001 6.165 ( 0.726 -2.340 -0.371) 2.477 6.554 ( 3.009 11.545 4.443) 12.731 6.684 ( -2.865 13.838 -3.715) 14.612 6.882 ( 0.367 -9.249 9.399) 13.192 7.039 ( 1.350 -3.644 2.020) 4.380 7.516 ( 1.491 -0.938 5.641) 5.910 7.571 ( 0.078 -2.320 4.296) 4.883 7.670 ( -2.681 -1.541 8.134) 8.702 7.761 ( -3.117 -4.350 2.376) 5.855 8.002 ( 0.298 3.070 -3.747) 4.853 8.171 ( 2.084 -4.125 -5.356) 7.074 8.421 ( -1.401 -3.245 -1.253) 3.751 8.447 ( -1.218 -3.093 -3.348) 4.718 8.958 ( 3.331 9.143 5.374) 11.116 9.139 ( 2.408 4.325 -2.482) 5.537 9.608 ( -0.284 0.137 3.011) 3.027 9.640 ( 0.601 -0.369 2.359) 2.462 9.807 ( -0.435 0.501 2.658) 2.739 9.840 ( -0.837 -0.864 2.751) 3.002 10.574 ( -0.909 -0.233 -0.739) 1.194 10.586 ( -0.556 -0.321 -0.917) 1.119 11.357 ( 0.431 -0.180 0.295) 0.553 11.364 ( 1.450 -0.386 -0.162) 1.509 11.779 ( -1.264 1.605 -1.257) 2.399 11.835 ( -1.494 -0.029 -3.693) 3.984 12.392 ( 1.225 -0.688 0.009) 1.405 12.406 ( 0.847 -0.717 -0.508) 1.221 12.835 ( 0.288 2.250 1.958) 2.996 12.939 ( 4.733 -2.200 -1.303) 5.379 13.711 ( 4.022 -0.416 0.013) 4.043 13.806 ( -8.107 -4.551 -5.176) 10.640 14.004 ( -1.560 0.974 0.263) 1.858 14.012 ( 0.019 0.395 -0.164) 0.428 14.729 ( -0.480 0.417 0.540) 0.834 14.746 ( 0.662 -0.268 -0.288) 0.770 14.936 ( -0.290 0.530 -0.476) 0.769 14.953 ( -0.293 -0.254 -1.037) 1.107 15.388 ( 0.383 0.907 0.386) 1.058 15.413 ( 0.153 -0.019 -0.619) 0.638 17.000 ( -0.469 0.983 0.281) 1.125 17.075 ( 4.203 -2.180 -3.061) 5.639 19.883 ( 1.066 1.675 2.387) 3.105 19.971 ( 0.290 -2.333 -1.672) 2.884 21.513 ( 0.605 -0.050 -0.298) 0.677 21.521 ( -0.459 -0.510 -0.502) 0.851 21.946 ( -2.184 4.894 3.014) 6.149 22.061 ( -0.400 0.517 -2.031) 2.134 22.366 ( 0.121 -1.077 2.954) 3.146 22.432 ( 1.854 -1.268 0.462) 2.293 27.731 ( -0.064 0.129 0.125) 0.190 27.735 ( -0.004 -0.045 0.045) 0.064 28.289 ( -0.649 0.174 -0.003) 0.671 28.294 ( 0.273 -0.053 -0.179) 0.331 28.326 ( -0.255 0.038 0.030) 0.259 28.328 ( -0.355 -0.017 -0.003) 0.356 28.837 ( 0.005 0.269 1.030) 1.064 28.852 ( 0.510 0.010 0.181) 0.542 29.820 ( 0.253 4.412 2.405) 5.032 29.888 ( -0.482 0.456 -1.758) 1.879 30.210 ( 0.117 4.615 1.231) 4.777 30.482 ( -0.695 -5.761 -8.711) 10.466 31.274 ( -0.913 4.065 7.546) 8.620 31.556 ( -0.709 -5.933 -5.045) 7.820 31.985 ( 0.822 -9.377 4.828) 10.579 32.122 ( 0.818 -10.971 0.937) 11.042 32.620 ( 0.896 6.378 1.677) 6.656 32.682 ( -2.169 6.874 -0.498) 7.226 33.338 ( 1.455 4.437 -3.495) 5.833 33.397 ( -0.497 1.875 -4.893) 5.263 ======================= Grid point 116 (60/96) ======================= q-point: ( 0.10 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 10.259 2.631 18.198) 21.056 1.270 ( 4.212 8.116 13.486) 16.294 1.575 ( 8.226 -12.751 11.714) 19.169 1.633 ( -0.543 0.440 -2.338) 2.441 1.690 ( -0.783 -3.324 2.666) 4.332 1.745 ( -2.865 -3.581 1.046) 4.704 1.840 ( -2.523 -1.502 -0.945) 3.084 1.892 ( -0.808 -4.006 -1.025) 4.213 2.084 ( 11.033 6.345 5.555) 13.887 2.141 ( 6.311 2.997 2.177) 7.318 2.196 ( 3.835 9.537 0.042) 10.279 2.328 ( 4.917 8.295 -5.995) 11.354 2.420 ( -1.242 -2.301 -14.039) 14.280 2.598 ( 7.751 3.780 -0.699) 8.652 2.840 ( 7.572 0.039 -1.587) 7.737 2.941 ( 14.622 -2.705 2.099) 15.017 2.981 ( 13.873 -0.383 4.401) 14.559 3.087 ( -2.718 -3.074 0.648) 4.154 3.135 ( -0.280 3.230 -6.320) 7.103 3.328 ( 4.444 -0.175 -5.245) 6.877 3.365 ( 6.691 -3.688 -7.598) 10.775 3.534 ( 3.152 -7.252 -6.145) 10.015 3.591 ( 3.598 -0.115 -13.712) 14.177 3.686 ( 0.231 -5.667 -0.674) 5.712 4.275 ( 4.730 1.930 -5.575) 7.562 4.317 ( 3.370 1.935 -9.996) 10.725 4.625 ( 2.078 -1.553 2.831) 3.839 4.668 ( 4.978 -1.184 2.190) 5.566 4.972 ( 0.911 3.416 5.344) 6.408 5.065 ( -4.451 8.124 6.800) 11.491 5.170 ( 6.232 -5.139 4.881) 9.438 5.320 ( -1.444 -3.647 3.589) 5.316 5.544 ( 0.149 3.525 0.622) 3.582 5.604 ( 3.216 0.175 -5.197) 6.114 5.616 ( -2.586 -1.109 -0.526) 2.863 5.767 ( -2.911 -3.071 0.434) 4.254 5.809 ( 2.543 4.418 -2.032) 5.488 5.943 ( 3.132 -6.247 2.083) 7.292 6.176 ( 3.415 1.432 -1.907) 4.165 6.281 ( 8.501 -3.697 0.372) 9.278 6.535 ( -4.828 8.350 -0.481) 9.658 6.676 ( 1.927 12.670 -0.019) 12.816 6.800 ( -6.206 -9.062 9.462) 14.497 7.030 ( -1.549 1.098 1.398) 2.358 7.459 ( -7.058 -4.375 5.116) 9.754 7.656 ( -4.747 -6.939 1.765) 8.591 7.666 ( 8.472 1.064 5.579) 10.199 7.729 ( 5.352 -1.187 6.651) 8.619 8.016 ( 0.481 6.003 -3.268) 6.852 8.222 ( 4.508 -4.491 -6.611) 9.176 8.423 ( -0.060 -2.727 0.758) 2.831 8.438 ( 2.539 -1.897 -2.843) 4.258 9.031 ( 3.972 6.494 3.510) 8.383 9.164 ( 1.349 2.927 -4.037) 5.165 9.642 ( 1.457 0.095 2.867) 3.217 9.669 ( 0.164 -0.174 3.440) 3.448 9.838 ( 2.721 0.316 2.362) 3.617 9.861 ( 6.399 -0.377 1.784) 6.654 10.512 ( -5.101 0.160 -0.148) 5.105 10.547 ( -3.737 -1.552 0.407) 4.067 11.339 ( -0.440 0.472 -0.846) 1.064 11.365 ( 0.148 -0.592 -0.819) 1.021 11.732 ( -2.262 1.617 -0.031) 2.781 11.798 ( -1.535 -0.992 -1.757) 2.535 12.540 ( 12.451 0.344 -1.100) 12.504 12.589 ( 14.027 -1.268 -0.599) 14.097 12.782 ( -5.643 3.503 1.743) 6.867 12.988 ( -3.645 -5.766 -6.507) 9.428 13.574 ( -11.653 2.096 -3.953) 12.482 13.707 ( -8.724 -2.694 -0.294) 9.135 13.827 ( -15.597 0.850 0.902) 15.647 13.855 ( -15.109 0.024 0.045) 15.109 14.687 ( -12.533 0.005 -0.474) 12.542 14.696 ( -12.388 -0.033 -0.767) 12.412 14.988 ( 10.455 -0.074 -1.418) 10.551 14.994 ( 8.009 -0.277 -0.395) 8.023 15.363 ( 1.998 1.011 0.528) 2.301 15.400 ( 4.846 -0.514 -0.837) 4.944 17.251 ( 23.147 2.360 -0.493) 23.272 17.412 ( 25.608 -4.970 -6.396) 26.859 19.595 ( -24.684 0.889 1.286) 24.733 19.633 ( -27.230 -0.783 -0.961) 27.259 21.516 ( -2.107 -0.189 -0.275) 2.133 21.522 ( -1.855 -0.299 -0.514) 1.948 22.114 ( 13.133 5.000 2.024) 14.198 22.200 ( 10.944 5.015 2.273) 12.251 22.362 ( 0.125 -1.912 2.230) 2.940 22.538 ( 10.245 -5.474 0.264) 11.619 27.727 ( -0.288 0.133 0.131) 0.343 27.731 ( -0.214 -0.088 0.044) 0.236 28.291 ( -2.957 0.137 0.406) 2.988 28.295 ( -2.786 -0.044 0.160) 2.791 28.515 ( 20.956 1.605 -0.670) 21.028 28.621 ( 26.805 -3.266 -6.363) 27.743 28.929 ( 8.955 0.198 0.911) 9.003 28.953 ( 9.902 0.041 -0.247) 9.906 29.872 ( 4.383 2.673 1.185) 5.268 29.913 ( 2.890 0.494 -1.411) 3.254 30.264 ( 5.068 4.406 2.667) 7.226 30.489 ( 1.641 -4.484 -8.330) 9.602 31.249 ( -1.569 3.436 7.317) 8.234 31.519 ( -2.702 -7.425 -2.382) 8.253 31.956 ( -3.583 -7.266 3.175) 8.701 32.094 ( -3.516 -8.428 0.548) 9.148 32.547 ( -8.627 9.967 0.831) 13.208 32.610 ( -4.040 4.687 1.904) 6.474 33.139 ( -18.694 3.728 0.002) 19.062 33.229 ( -14.509 0.173 -5.406) 15.485 ======================= Grid point 117 (61/96) ======================= q-point: ( 0.20 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 12.554 9.766 7.213) 17.465 1.482 ( 16.122 4.801 3.658) 17.215 1.603 ( -1.079 0.267 1.927) 2.225 1.662 ( -1.896 0.321 0.331) 1.951 1.694 ( -1.757 -0.680 -0.127) 1.888 1.751 ( -1.622 -3.018 -2.392) 4.178 1.858 ( 1.415 -4.998 -3.944) 6.522 1.861 ( 9.608 -7.451 2.745) 12.464 2.143 ( 0.822 0.582 -0.346) 1.065 2.190 ( 1.658 -1.624 -0.150) 2.326 2.305 ( -3.097 2.647 -8.472) 9.401 2.418 ( 7.847 3.008 -6.843) 10.838 2.546 ( 8.561 8.669 4.601) 13.024 2.715 ( 3.911 -2.240 -1.282) 4.686 2.891 ( -1.264 2.211 0.603) 2.618 2.964 ( -5.184 -1.592 1.512) 5.630 3.166 ( 3.845 -3.010 -6.087) 7.804 3.247 ( -5.821 -4.144 -3.999) 8.188 3.362 ( 13.719 0.261 -1.495) 13.803 3.438 ( 19.815 0.512 6.928) 20.997 3.531 ( 14.032 -2.135 0.710) 14.211 3.598 ( 2.626 -3.891 -5.000) 6.858 3.750 ( 5.331 -1.036 2.052) 5.806 3.768 ( 12.828 -1.220 1.085) 12.931 4.282 ( 1.372 1.017 -8.926) 9.088 4.375 ( 2.467 -1.820 -9.107) 9.609 4.651 ( -0.336 3.043 2.006) 3.660 4.835 ( -1.725 -2.415 0.045) 2.969 5.012 ( 5.960 5.758 0.471) 8.301 5.052 ( 3.584 11.480 4.442) 12.821 5.271 ( 2.832 -5.517 2.893) 6.843 5.404 ( 8.080 -6.526 5.675) 11.835 5.543 ( -0.293 3.995 -0.203) 4.011 5.549 ( -5.044 -2.645 0.605) 5.727 5.592 ( -1.532 -4.845 1.150) 5.210 5.778 ( 4.931 -0.527 0.878) 5.036 5.951 ( 13.111 3.605 -3.297) 13.991 6.064 ( 8.719 -5.140 2.175) 10.352 6.238 ( 1.332 4.743 -4.778) 6.862 6.434 ( -0.895 -1.999 0.190) 2.198 6.522 ( 12.540 2.808 1.996) 13.004 6.672 ( -1.290 7.455 1.517) 7.716 6.740 ( 0.194 -3.662 5.321) 6.462 7.001 ( -0.275 5.426 -0.690) 5.477 7.312 ( -6.119 -5.250 3.264) 8.698 7.518 ( -6.929 -5.301 0.322) 8.730 7.870 ( 10.693 0.294 2.826) 11.064 7.908 ( 10.003 -0.224 2.123) 10.228 8.061 ( 5.587 5.789 2.862) 8.539 8.313 ( 1.531 -5.570 -1.318) 5.925 8.489 ( 9.110 0.967 -2.900) 9.610 8.533 ( 6.307 0.205 -5.194) 8.173 9.139 ( 6.449 2.449 2.270) 7.262 9.226 ( 4.694 -0.040 -2.491) 5.314 9.659 ( 1.182 -0.389 1.384) 1.861 9.661 ( 1.006 -0.342 0.561) 1.201 9.946 ( 5.640 1.587 1.256) 5.992 10.012 ( 5.867 -1.055 0.127) 5.962 10.388 ( -5.681 0.778 2.377) 6.207 10.446 ( -4.362 -1.722 3.050) 5.594 11.398 ( 6.573 0.489 -1.969) 6.879 11.423 ( 6.016 -0.586 -1.238) 6.170 11.716 ( 0.419 0.917 1.734) 2.006 11.771 ( -1.062 -1.194 -0.054) 1.599 12.581 ( -13.519 3.159 1.715) 13.989 12.745 ( -13.524 -2.728 -6.168) 15.112 12.832 ( 7.230 -0.530 -1.104) 7.333 12.877 ( 10.295 -1.643 -0.419) 10.433 13.272 ( -17.697 2.079 -2.950) 18.061 13.388 ( -22.083 -3.097 -0.168) 22.300 13.418 ( -20.263 1.889 0.490) 20.357 13.470 ( -18.615 0.061 0.431) 18.621 14.280 ( -24.529 0.102 -0.074) 24.529 14.291 ( -24.399 -0.346 -1.134) 24.428 14.958 ( -8.790 0.838 0.022) 8.830 15.001 ( -8.604 -1.043 -1.969) 8.888 15.791 ( 34.321 0.698 -4.412) 34.610 15.841 ( 32.276 -1.367 -1.695) 32.349 17.852 ( 33.699 2.685 -0.450) 33.809 18.011 ( 31.731 -4.390 -6.030) 32.596 19.045 ( -26.820 0.417 0.256) 26.824 19.055 ( -26.809 -0.075 -0.625) 26.816 21.400 ( -9.402 -0.072 0.119) 9.403 21.408 ( -9.391 -0.265 -0.603) 9.414 22.255 ( 3.533 3.272 0.901) 4.899 22.305 ( 0.532 4.376 0.569) 4.444 22.572 ( 15.077 0.631 6.208) 16.317 22.798 ( 11.823 -6.547 0.880) 13.544 27.723 ( 0.075 0.142 0.106) 0.193 27.729 ( 0.118 -0.124 0.026) 0.173 28.209 ( -4.963 0.204 0.656) 5.010 28.216 ( -4.847 -0.120 0.175) 4.852 29.031 ( 25.005 1.560 -2.601) 25.189 29.087 ( 17.067 -0.211 -3.940) 17.518 29.197 ( 18.097 1.673 1.881) 18.272 29.362 ( 28.839 -5.064 -8.357) 30.450 29.981 ( 5.765 0.837 -0.060) 5.826 29.997 ( 5.028 0.277 -0.987) 5.131 30.412 ( 8.962 3.265 3.658) 10.216 30.546 ( 4.248 -2.307 -5.660) 7.443 31.225 ( -0.831 2.532 7.134) 7.615 31.450 ( -3.805 -7.571 0.086) 8.474 31.849 ( -6.737 -3.762 0.994) 7.780 31.978 ( -7.984 -6.382 0.911) 10.262 32.315 ( -13.156 12.286 1.824) 18.093 32.494 ( -7.398 3.170 1.262) 8.147 32.690 ( -22.873 2.720 3.626) 23.318 32.870 ( -18.793 -2.968 -6.229) 20.020 ======================= Grid point 118 (62/96) ======================= q-point: ( 0.30 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 7.761 2.712 -2.659) 8.641 1.587 ( -0.345 -0.662 2.574) 2.680 1.633 ( -0.647 1.673 -0.366) 1.830 1.674 ( 1.004 0.799 -1.389) 1.891 1.701 ( -0.192 -0.613 -0.901) 1.107 1.762 ( 3.521 1.961 -2.062) 4.527 1.912 ( 11.003 4.641 -4.569) 12.786 2.046 ( 2.374 -5.598 0.937) 6.152 2.207 ( 6.040 -2.713 -0.103) 6.622 2.263 ( 5.622 -4.394 -2.426) 7.536 2.301 ( 3.445 2.293 -3.237) 5.254 2.512 ( 1.157 -2.730 0.829) 3.079 2.656 ( -4.793 -0.628 -1.636) 5.103 2.705 ( 4.732 -1.478 -0.205) 4.962 2.783 ( -3.505 7.161 3.090) 8.550 3.049 ( 7.874 -0.428 0.619) 7.910 3.203 ( 2.826 -3.687 -2.718) 5.382 3.271 ( 6.265 -2.215 -4.280) 7.904 3.463 ( 0.093 1.627 -3.469) 3.833 3.509 ( -3.417 1.003 6.185) 7.137 3.634 ( -3.935 -0.594 -7.110) 8.147 3.732 ( 0.519 -3.103 -3.680) 4.841 3.925 ( 7.101 -0.342 5.409) 8.933 4.001 ( 6.098 -1.764 8.368) 10.504 4.458 ( 13.669 0.849 -6.588) 15.197 4.507 ( 9.304 0.008 -5.711) 10.917 4.613 ( 0.257 2.346 3.080) 3.880 4.722 ( -5.071 -1.117 2.240) 5.655 4.957 ( -6.500 13.461 2.669) 15.184 5.183 ( 1.994 0.197 -0.768) 2.146 5.343 ( 4.720 -0.771 2.622) 5.454 5.412 ( -2.990 -0.812 6.023) 6.773 5.505 ( -2.378 2.219 -0.907) 3.377 5.546 ( 2.157 -4.900 0.692) 5.399 5.675 ( 7.978 -5.549 3.859) 10.456 5.845 ( 0.349 -7.709 -1.209) 7.811 6.184 ( -0.781 3.984 -8.101) 9.062 6.242 ( 7.588 9.552 6.310) 13.734 6.299 ( 7.276 -1.599 3.789) 8.358 6.454 ( 3.433 -6.623 -2.176) 7.771 6.672 ( 3.226 -3.237 1.125) 4.707 6.785 ( 4.206 -4.898 3.974) 7.581 6.860 ( 13.761 9.881 -1.378) 16.997 7.078 ( 9.975 5.318 -1.896) 11.462 7.272 ( 3.169 -2.410 -0.807) 4.063 7.421 ( -0.415 -0.321 -2.291) 2.350 8.058 ( 7.488 0.277 4.061) 8.523 8.108 ( 7.306 -0.976 3.281) 8.068 8.268 ( 12.928 1.346 2.031) 13.156 8.348 ( 5.065 -1.105 -0.390) 5.198 8.676 ( 9.508 1.957 -8.674) 13.018 8.738 ( 12.215 -0.937 -6.379) 13.812 9.272 ( 5.801 0.654 3.057) 6.590 9.330 ( 5.038 -1.188 0.723) 5.227 9.747 ( 8.327 -0.165 -1.626) 8.486 9.763 ( 8.583 -0.743 -2.146) 8.878 9.993 ( -0.432 0.572 -1.438) 1.607 10.024 ( -3.043 -0.556 -1.525) 3.449 10.372 ( 5.158 2.053 5.984) 8.163 10.473 ( 7.155 -2.199 6.183) 9.709 11.577 ( 9.046 0.515 -1.586) 9.199 11.595 ( 9.801 -0.114 -0.957) 9.848 11.736 ( 1.492 -0.062 3.799) 4.082 11.761 ( 0.263 -0.688 2.356) 2.468 12.235 ( -19.766 2.179 1.289) 19.928 12.354 ( -19.981 -2.638 -5.580) 20.912 12.620 ( -29.795 0.064 0.648) 29.802 12.622 ( -30.349 -0.035 0.806) 30.360 12.947 ( -14.704 1.660 -2.486) 15.005 13.050 ( -15.893 -3.085 0.330) 16.193 13.216 ( -6.131 1.676 -1.800) 6.605 13.243 ( -5.172 0.091 -0.260) 5.180 13.830 ( -12.139 -0.025 -0.346) 12.144 13.836 ( -13.306 -0.173 -0.513) 13.317 14.739 ( -11.994 0.724 0.190) 12.018 14.772 ( -12.791 -0.715 -1.119) 12.860 16.511 ( 34.055 -0.165 -6.217) 34.618 16.522 ( 32.472 -0.564 -2.230) 32.553 18.458 ( -5.269 0.127 0.166) 5.273 18.470 ( -12.367 -0.457 -0.672) 12.394 18.657 ( 18.832 2.499 -0.141) 18.997 18.773 ( 24.351 -2.585 -4.130) 24.834 21.122 ( -18.018 0.148 0.757) 18.034 21.133 ( -17.603 -0.311 -0.739) 17.621 22.338 ( 5.254 1.979 -0.423) 5.631 22.351 ( 4.500 1.948 1.399) 5.099 22.788 ( 5.200 1.577 4.776) 7.235 22.948 ( 2.385 -4.643 1.084) 5.331 27.734 ( 1.072 0.144 0.044) 1.083 27.741 ( 1.055 -0.128 0.012) 1.063 28.096 ( -5.850 0.187 0.579) 5.882 28.104 ( -5.939 -0.133 0.031) 5.940 29.406 ( 15.844 0.502 -2.266) 16.014 29.433 ( 15.812 -0.607 -2.831) 16.075 29.682 ( 23.893 4.383 1.096) 24.316 29.910 ( 22.056 -5.596 -8.402) 24.256 30.096 ( 6.038 0.240 -0.904) 6.110 30.105 ( 6.015 0.046 -0.178) 6.018 30.616 ( 10.478 1.551 3.688) 11.216 30.667 ( 7.896 -0.557 -1.850) 8.129 31.222 ( -0.018 1.261 6.837) 6.952 31.368 ( -4.451 -5.562 0.645) 7.153 31.687 ( -8.968 -1.944 0.041) 9.177 31.764 ( -12.638 -3.566 1.109) 13.178 32.059 ( -10.507 10.016 0.787) 14.537 32.260 ( -16.954 4.885 -0.354) 17.647 32.327 ( -9.918 -1.527 3.548) 10.644 32.503 ( -16.359 -3.498 -5.138) 17.500 ======================= Grid point 119 (63/96) ======================= q-point: ( 0.40 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -0.505 -0.206 -0.149) 0.566 1.564 ( -1.838 -1.830 1.011) 2.784 1.626 ( -0.955 1.027 0.522) 1.497 1.653 ( -0.996 -0.211 -0.867) 1.337 1.766 ( 3.549 5.029 0.608) 6.185 1.922 ( 11.805 -1.410 -3.324) 12.345 2.029 ( -0.640 -2.711 0.115) 2.788 2.100 ( 2.868 -1.071 0.321) 3.078 2.253 ( -2.100 0.203 -1.455) 2.563 2.341 ( 1.038 -3.830 -0.384) 3.987 2.428 ( 6.385 -0.099 -2.263) 6.774 2.530 ( 0.919 -3.587 1.056) 3.850 2.591 ( 1.285 -0.710 -1.759) 2.291 2.722 ( 3.100 -0.538 -1.797) 3.623 2.868 ( 5.104 4.206 1.900) 6.882 3.165 ( 0.999 -0.953 0.789) 1.590 3.269 ( 0.628 2.967 -4.408) 5.351 3.384 ( 2.313 -1.654 2.224) 3.610 3.429 ( -1.760 1.301 0.366) 2.219 3.461 ( -6.360 -1.213 -0.870) 6.533 3.513 ( 1.832 -0.241 -4.144) 4.537 3.636 ( -6.828 -3.434 -2.909) 8.178 3.994 ( -2.866 2.817 4.106) 5.745 3.998 ( -0.673 0.804 2.528) 2.736 4.550 ( -1.500 4.576 2.239) 5.310 4.662 ( 6.310 2.651 -2.301) 7.221 4.721 ( 4.630 -2.463 -2.188) 5.682 4.772 ( 5.477 0.664 -7.167) 9.044 4.843 ( 1.036 8.669 4.171) 9.676 5.210 ( 1.645 -4.433 6.045) 7.675 5.386 ( -1.026 -0.295 4.073) 4.210 5.433 ( 3.366 0.116 2.827) 4.397 5.464 ( -0.724 2.641 1.761) 3.256 5.598 ( 3.722 -2.734 -0.701) 4.671 5.797 ( -3.539 -7.537 -1.568) 8.473 5.842 ( 6.464 -8.706 1.923) 11.013 6.128 ( -3.158 6.019 -3.277) 7.546 6.289 ( -1.699 6.484 -1.049) 6.784 6.364 ( 0.349 -2.090 3.280) 3.905 6.553 ( 4.695 -3.564 1.350) 6.047 6.709 ( 1.515 -4.570 1.464) 5.032 6.884 ( 5.547 -4.972 2.423) 7.833 7.027 ( 3.224 7.561 0.446) 8.232 7.155 ( -4.554 2.678 -0.187) 5.287 7.506 ( 14.461 2.811 -4.353) 15.361 7.559 ( 10.193 1.742 -4.335) 11.212 8.157 ( 0.047 -0.584 5.141) 5.174 8.176 ( 2.886 -0.982 5.361) 6.167 8.513 ( 9.527 0.726 -1.523) 9.675 8.525 ( 8.899 0.705 -2.234) 9.202 8.896 ( 10.508 1.254 -11.420) 15.569 8.948 ( 7.345 -0.650 -9.334) 11.895 9.379 ( 4.901 0.356 3.551) 6.063 9.429 ( 4.446 -1.381 2.003) 5.068 9.813 ( -3.593 -0.757 0.109) 3.673 9.826 ( -3.531 -0.808 0.370) 3.641 10.192 ( 23.075 0.345 -1.578) 23.132 10.208 ( 23.733 -0.170 -2.206) 23.836 10.556 ( 11.214 2.207 5.651) 12.750 10.676 ( 11.034 -2.930 4.588) 12.304 11.612 ( -9.555 1.365 7.218) 12.053 11.647 ( -19.507 -0.046 1.080) 19.537 11.657 ( -22.408 0.137 0.379) 22.412 11.706 ( -16.290 -1.920 8.043) 18.269 11.875 ( 5.271 3.798 -0.402) 6.509 12.061 ( 1.350 -3.922 -2.286) 4.736 12.147 ( -6.964 0.074 -3.098) 7.623 12.160 ( -5.336 -0.203 -3.259) 6.256 12.628 ( -15.738 1.827 -2.150) 15.989 12.689 ( -18.615 -0.726 0.690) 18.642 12.873 ( -21.787 -0.109 -1.738) 21.856 12.884 ( -22.162 -0.302 -1.172) 22.195 13.892 ( 12.812 0.545 -0.295) 12.827 13.913 ( 12.817 -0.345 -0.626) 12.837 14.475 ( -13.728 0.391 0.068) 13.733 14.492 ( -14.476 -0.314 -0.470) 14.487 17.131 ( 27.048 0.079 -2.046) 27.126 17.145 ( 27.839 -0.489 -5.190) 28.322 18.051 ( -21.565 0.476 -0.514) 21.577 18.075 ( -20.294 -0.557 -1.441) 20.353 19.359 ( 35.888 1.855 0.871) 35.946 19.445 ( 34.397 -1.833 -2.226) 34.518 20.666 ( -26.441 0.562 1.273) 26.478 20.690 ( -25.538 -0.482 -0.676) 25.551 22.478 ( 8.403 1.284 0.560) 8.519 22.489 ( 8.516 0.545 0.424) 8.544 22.796 ( -3.871 1.401 2.850) 5.007 22.906 ( -5.855 -3.019 0.045) 6.588 27.769 ( 2.282 0.127 -0.020) 2.285 27.775 ( 2.220 -0.118 -0.009) 2.223 27.980 ( -5.250 0.123 0.347) 5.263 27.985 ( -5.327 -0.091 -0.130) 5.329 29.704 ( 12.631 0.399 -2.873) 12.960 29.721 ( 11.741 -0.325 -2.868) 12.091 29.982 ( 4.042 1.996 0.842) 4.586 30.069 ( -0.954 -1.707 -1.163) 2.275 30.321 ( 15.685 1.048 1.099) 15.758 30.386 ( 17.016 -1.758 -4.489) 17.685 30.815 ( 7.399 1.165 2.879) 8.024 30.858 ( 9.782 -0.650 0.085) 9.804 31.187 ( -4.472 0.259 5.562) 7.142 31.245 ( -7.838 -2.102 -0.832) 8.158 31.490 ( -9.729 -0.276 0.654) 9.755 31.534 ( -7.824 -2.859 1.478) 8.460 31.924 ( -2.005 5.174 -0.230) 5.554 32.008 ( -6.742 2.064 -0.582) 7.075 32.132 ( -9.022 -0.551 1.054) 9.100 32.204 ( -12.545 -1.868 -2.898) 13.010 ======================= Grid point 120 (64/96) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -1.462 -1.101 2.140) 2.815 1.526 ( -1.424 -1.127 1.345) 2.260 1.607 ( -0.518 1.312 0.708) 1.578 1.633 ( -0.688 -0.283 -0.227) 0.777 1.878 ( 5.356 3.135 2.656) 6.750 1.957 ( -5.152 1.377 -1.582) 5.563 2.088 ( -0.717 -3.919 1.356) 4.208 2.091 ( 0.806 -2.921 0.114) 3.032 2.203 ( -0.949 3.468 0.090) 3.596 2.325 ( -2.842 -0.859 -1.058) 3.151 2.490 ( -0.125 -4.223 -0.247) 4.232 2.523 ( -0.758 -3.539 -1.812) 4.048 2.721 ( 8.193 -0.955 0.360) 8.257 2.824 ( 3.136 -6.922 0.393) 7.610 2.913 ( 0.347 4.473 -7.134) 8.427 3.080 ( -8.257 -4.945 -1.563) 9.751 3.159 ( -5.574 8.073 -2.592) 10.147 3.301 ( -6.322 2.887 5.830) 9.071 3.413 ( -4.585 -2.465 5.115) 7.298 3.472 ( 2.617 -3.632 -3.624) 5.760 3.494 ( 0.440 5.776 0.685) 5.833 3.567 ( -0.942 1.459 -2.966) 3.437 3.972 ( 0.991 0.614 2.937) 3.160 4.027 ( 3.936 0.511 1.107) 4.120 4.447 ( -5.431 10.455 3.792) 12.377 4.772 ( 1.907 -3.720 -4.556) 6.183 4.824 ( 3.841 3.169 -8.558) 9.901 4.884 ( 9.917 3.145 -2.478) 10.695 4.951 ( 5.063 0.520 2.630) 5.730 5.194 ( -3.552 0.602 -1.540) 3.919 5.374 ( 0.026 -7.300 5.599) 9.200 5.481 ( 1.972 -3.424 1.530) 4.237 5.498 ( 2.151 1.054 6.063) 6.519 5.670 ( 3.489 -8.647 0.256) 9.328 5.799 ( 4.938 1.104 -0.131) 5.062 5.905 ( 0.133 -4.558 -2.863) 5.384 6.056 ( -3.669 6.745 -0.737) 7.714 6.195 ( -5.635 5.162 -4.796) 9.022 6.433 ( 5.340 -6.465 3.809) 9.210 6.554 ( -3.227 -9.769 -1.073) 10.344 6.778 ( 1.808 4.147 7.273) 8.565 6.943 ( -2.649 -3.207 3.876) 5.685 7.038 ( -4.284 7.931 -2.511) 9.357 7.062 ( 2.269 4.307 -0.179) 4.871 7.625 ( -1.450 -0.321 -0.816) 1.694 7.674 ( -2.345 -1.131 -3.152) 4.088 8.170 ( -0.676 1.521 2.536) 3.033 8.196 ( 1.928 1.274 2.148) 3.155 8.604 ( -0.730 1.772 -1.036) 2.178 8.650 ( 2.395 -0.034 -3.187) 3.987 8.988 ( -2.283 0.423 -9.243) 9.530 8.991 ( -2.990 0.450 -9.295) 9.774 9.453 ( -0.044 0.238 3.178) 3.187 9.493 ( 0.106 -1.465 1.443) 2.059 9.746 ( -0.818 -0.588 1.444) 1.760 9.762 ( -0.908 -1.129 0.823) 1.666 10.648 ( -1.666 -0.416 0.424) 1.769 10.668 ( 0.268 -1.280 -0.442) 1.381 10.829 ( 7.888 0.256 0.941) 7.948 10.833 ( -0.460 0.021 0.668) 0.812 11.050 ( -2.108 1.241 3.062) 3.919 11.088 ( -0.289 -0.466 1.545) 1.640 11.515 ( 2.205 -0.383 8.785) 9.066 11.524 ( -2.322 -0.629 8.342) 8.682 12.066 ( 6.072 1.775 -0.582) 6.353 12.126 ( -3.967 1.727 -3.094) 5.319 12.186 ( -4.273 -3.389 0.230) 5.459 12.211 ( -2.140 -1.867 -0.613) 2.906 12.365 ( -2.774 2.763 -0.101) 3.917 12.422 ( 6.712 0.553 -2.709) 7.260 12.572 ( -2.922 0.322 -1.861) 3.480 12.622 ( 1.951 -1.519 -2.857) 3.779 14.168 ( -4.043 0.043 0.193) 4.047 14.169 ( -6.881 0.014 0.164) 6.883 14.210 ( 3.525 0.237 -0.714) 3.605 14.214 ( 7.022 0.068 -0.683) 7.055 17.590 ( -18.464 0.980 -1.355) 18.540 17.638 ( 13.848 0.165 -1.541) 13.934 17.640 ( 1.213 -0.787 -3.184) 3.497 17.665 ( 3.352 -0.838 -2.728) 4.403 20.046 ( -8.222 0.883 1.361) 8.380 20.067 ( 6.479 1.574 1.382) 6.809 20.080 ( -13.714 -0.432 -0.156) 13.722 20.142 ( 13.952 -1.490 -1.517) 14.114 22.639 ( -1.744 -0.208 1.364) 2.224 22.644 ( 1.859 -0.678 1.733) 2.630 22.699 ( 3.508 1.892 0.773) 4.060 22.765 ( -3.113 -1.185 -1.591) 3.692 27.810 ( 0.322 0.020 -0.036) 0.325 27.810 ( -0.145 -0.000 -0.068) 0.160 27.908 ( -0.242 0.190 0.197) 0.366 27.917 ( 0.257 -0.183 -0.177) 0.362 29.839 ( -2.703 0.162 -2.620) 3.767 29.848 ( -1.653 -0.227 -2.998) 3.431 30.014 ( 2.924 0.626 0.620) 3.054 30.044 ( 1.786 -0.695 -0.622) 2.015 30.558 ( 0.383 1.548 1.671) 2.309 30.633 ( 3.437 -1.681 -1.752) 4.209 30.846 ( -0.344 2.075 0.074) 2.105 30.938 ( -2.516 -1.855 -4.294) 5.311 31.117 ( -2.771 0.807 5.022) 5.792 31.173 ( 3.638 -1.640 3.175) 5.100 31.373 ( 0.506 0.653 2.081) 2.239 31.425 ( -2.258 -1.749 0.552) 2.909 31.965 ( 1.967 0.144 -0.134) 1.976 31.976 ( -5.184 -0.442 -0.627) 5.240 32.001 ( 2.217 1.514 -0.662) 2.765 32.022 ( 1.619 0.770 -1.478) 2.324 ======================= Grid point 121 (65/96) ======================= q-point: (-0.40 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( -1.631 -0.758 0.086) 1.800 1.512 ( -0.634 -0.785 3.021) 3.185 1.606 ( 0.315 1.006 1.557) 1.880 1.630 ( 0.244 -0.757 -0.916) 1.214 1.794 ( -7.034 2.726 -3.121) 8.164 1.927 ( -6.047 -1.291 -0.468) 6.201 2.040 ( 2.024 -2.725 1.905) 3.893 2.129 ( 0.419 -2.141 -0.260) 2.197 2.220 ( -4.691 2.129 -0.983) 5.244 2.227 ( -0.571 3.255 -0.271) 3.316 2.354 ( -9.350 0.668 -1.243) 9.456 2.533 ( 0.136 -7.116 -0.439) 7.131 2.742 ( -5.979 -1.196 -6.100) 8.625 2.833 ( -7.197 -1.964 -1.777) 7.669 2.882 ( 4.689 1.636 1.415) 5.164 3.024 ( -1.151 -2.852 3.833) 4.914 3.059 ( -4.952 3.811 6.024) 8.679 3.156 ( -8.025 2.902 3.448) 9.204 3.363 ( 4.967 1.369 4.072) 6.567 3.510 ( 1.885 1.155 -2.276) 3.173 3.540 ( 2.691 1.886 -2.800) 4.317 3.605 ( 2.987 -0.375 -1.710) 3.462 3.994 ( -1.891 -2.060 4.710) 5.477 4.053 ( -1.052 -1.616 0.352) 1.960 4.421 ( 2.591 8.474 0.811) 8.898 4.775 ( -2.440 -4.525 -5.206) 7.316 4.821 ( -1.576 1.905 -8.657) 9.003 4.953 ( -2.254 -2.441 -5.394) 6.335 5.143 ( 10.192 1.167 1.633) 10.387 5.153 ( 1.099 7.271 -4.434) 8.587 5.393 ( 1.786 -5.399 4.699) 7.377 5.508 ( 0.369 -5.674 3.236) 6.542 5.533 ( 1.941 2.791 0.825) 3.499 5.770 ( 3.994 -5.564 1.555) 7.024 5.798 ( -6.764 -1.394 -4.581) 8.288 5.948 ( 3.420 -2.069 -2.457) 4.692 5.989 ( -4.388 3.196 0.992) 5.518 6.142 ( 2.369 3.858 2.837) 5.343 6.394 ( -6.641 -3.260 0.047) 7.398 6.582 ( 1.594 -8.097 0.348) 8.260 6.655 ( -10.615 4.176 6.363) 13.062 6.840 ( -5.898 -6.299 2.516) 8.989 7.005 ( -1.101 9.912 0.715) 9.998 7.118 ( 1.663 3.862 1.743) 4.552 7.456 ( -13.591 -0.755 -2.062) 13.767 7.492 ( -12.853 -1.296 -2.295) 13.120 8.161 ( 0.339 2.836 3.833) 4.780 8.248 ( 1.930 -0.242 1.927) 2.738 8.484 ( -10.858 2.441 -1.137) 11.187 8.572 ( -10.753 -1.061 -5.107) 11.951 8.824 ( -11.338 1.411 -7.850) 13.862 8.868 ( -7.277 0.698 -5.939) 9.419 9.342 ( -8.618 0.561 5.524) 10.251 9.395 ( -8.144 -2.238 2.835) 8.909 9.798 ( 2.940 -0.503 0.689) 3.061 9.818 ( 4.458 -1.057 0.680) 4.632 10.189 ( -23.268 0.237 -1.022) 23.292 10.196 ( -22.578 0.045 -0.699) 22.589 10.669 ( -11.309 0.025 1.166) 11.369 10.703 ( -9.412 -1.314 2.774) 9.900 11.585 ( 19.038 0.746 2.982) 19.285 11.595 ( 19.753 0.867 2.812) 19.971 11.687 ( 9.383 -0.003 3.840) 10.139 11.767 ( 17.717 -3.139 5.718) 18.879 11.963 ( -5.679 0.835 -2.813) 6.392 11.992 ( 0.054 -0.201 1.511) 1.526 12.098 ( 9.256 0.066 -1.875) 9.444 12.113 ( 4.560 -0.051 -2.631) 5.265 12.622 ( 16.333 3.161 -1.149) 16.675 12.759 ( 18.860 -2.647 -1.266) 19.087 12.817 ( 20.512 1.679 -1.284) 20.621 12.891 ( 21.049 -1.713 -1.262) 21.156 13.884 ( -12.754 0.133 0.302) 12.758 13.888 ( -12.445 0.013 -0.329) 12.449 14.489 ( 13.381 0.367 -0.142) 13.387 14.500 ( 14.357 -0.072 -0.923) 14.387 17.072 ( -28.011 1.734 -1.998) 28.136 17.173 ( -25.457 -2.625 -4.486) 25.982 18.066 ( 20.485 0.366 -0.860) 20.507 18.084 ( 20.199 -0.405 -1.762) 20.280 19.339 ( -36.351 1.694 1.777) 36.434 19.396 ( -35.825 -0.810 -0.941) 35.846 20.654 ( 25.712 1.281 0.970) 25.762 20.711 ( 25.439 -1.173 -0.589) 25.473 22.476 ( -8.720 -0.028 0.524) 8.736 22.503 ( -8.996 -0.601 -0.160) 9.018 22.837 ( 5.087 0.764 2.478) 5.710 22.872 ( 5.889 -0.493 0.341) 5.919 27.772 ( -2.195 0.078 -0.136) 2.201 27.775 ( -2.205 -0.055 -0.013) 2.206 27.977 ( 5.420 0.312 0.221) 5.434 27.992 ( 5.588 -0.304 -0.143) 5.598 29.667 ( -11.992 0.118 -1.665) 12.107 29.677 ( -12.354 -0.277 -1.163) 12.412 30.042 ( -3.526 0.867 0.001) 3.631 30.091 ( -0.436 -1.387 -2.892) 3.237 30.311 ( -16.575 3.006 -0.366) 16.850 30.444 ( -16.331 -2.927 -5.276) 17.410 30.841 ( -7.273 2.030 0.903) 7.605 30.914 ( -4.208 -1.153 -1.950) 4.779 31.090 ( 3.825 2.498 5.607) 7.232 31.276 ( 8.111 -6.535 4.549) 11.366 31.479 ( 5.237 0.196 -0.155) 5.243 31.500 ( 9.131 -0.415 2.222) 9.407 31.940 ( 3.537 3.073 0.096) 4.686 31.978 ( 4.107 1.535 -0.541) 4.418 32.112 ( 8.785 2.175 0.031) 9.051 32.255 ( 14.465 -2.749 -2.786) 14.986 ======================= Grid point 122 (66/96) ======================= q-point: (-0.30 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( -3.719 0.555 2.573) 4.556 1.496 ( 0.423 -0.805 -0.917) 1.292 1.616 ( -2.021 -0.781 0.796) 2.309 1.619 ( -0.103 -0.474 1.181) 1.277 1.683 ( -2.342 0.972 -1.341) 2.868 1.811 ( -1.030 -2.072 -3.871) 4.510 1.965 ( -13.123 9.502 -3.983) 16.684 2.092 ( 0.180 0.746 1.379) 1.578 2.130 ( -1.339 1.040 -0.961) 1.949 2.170 ( -4.494 -2.368 -2.236) 5.550 2.306 ( 0.344 4.310 1.454) 4.562 2.556 ( 2.465 -6.811 -0.297) 7.250 2.595 ( -6.858 -3.716 -0.250) 7.805 2.685 ( -6.281 -4.229 -0.177) 7.574 2.893 ( -7.655 3.405 4.690) 9.602 2.939 ( -0.650 2.281 0.193) 2.380 3.023 ( 1.528 0.344 3.274) 3.629 3.095 ( 0.967 2.979 -0.667) 3.202 3.445 ( -3.689 0.309 -2.585) 4.515 3.530 ( -0.309 -0.606 0.411) 0.795 3.591 ( 4.158 0.290 1.450) 4.413 3.680 ( 3.726 -3.140 2.136) 5.320 3.869 ( -7.246 0.968 0.985) 7.377 4.007 ( -6.308 -1.828 0.295) 6.574 4.474 ( 0.711 0.174 -3.214) 3.296 4.662 ( -7.503 -2.636 -0.701) 7.983 4.812 ( -0.001 -1.424 -9.962) 10.063 4.880 ( -3.953 -2.125 -1.667) 4.788 5.151 ( -5.535 9.566 -4.184) 11.817 5.238 ( -4.066 -0.051 -4.054) 5.742 5.409 ( -2.729 3.955 -2.926) 5.627 5.486 ( -1.764 0.693 0.081) 1.897 5.527 ( -1.182 -0.555 4.219) 4.416 5.703 ( 0.410 -2.297 -0.089) 2.335 5.765 ( -9.090 0.446 3.533) 9.762 5.840 ( -0.388 -8.063 0.691) 8.102 5.967 ( -0.682 -3.674 -5.868) 6.957 6.200 ( -3.722 -7.463 8.531) 11.930 6.351 ( -4.569 3.491 2.035) 6.099 6.394 ( 1.634 8.868 3.335) 9.614 6.558 ( -11.159 -3.309 -0.090) 11.640 6.744 ( -4.073 -5.195 4.333) 7.897 6.881 ( -10.144 7.616 2.873) 13.006 6.977 ( -14.220 2.780 -2.601) 14.721 7.288 ( -0.338 -1.492 0.528) 1.618 7.340 ( 2.136 -1.172 -1.089) 2.669 8.110 ( -8.345 2.667 4.749) 9.965 8.175 ( -14.672 0.291 1.473) 14.749 8.280 ( -1.427 0.218 -0.745) 1.624 8.337 ( -6.576 -1.349 -2.514) 7.169 8.600 ( -8.958 4.226 -6.791) 12.009 8.717 ( -7.539 -0.279 -6.504) 9.961 9.158 ( -9.468 0.830 7.026) 11.820 9.219 ( -8.412 -2.652 5.282) 10.281 9.767 ( -4.421 -0.040 -1.839) 4.789 9.773 ( -6.616 -0.266 -2.192) 6.975 9.969 ( -1.971 -0.190 1.478) 2.471 9.990 ( -0.936 -0.500 0.874) 1.375 10.476 ( -5.507 0.658 1.828) 5.840 10.529 ( -5.771 -1.637 2.634) 6.551 11.513 ( -11.361 -0.401 0.610) 11.385 11.514 ( -11.031 -0.457 0.986) 11.085 11.896 ( -1.297 1.342 -3.554) 4.014 11.939 ( -0.264 -0.162 -2.494) 2.513 12.082 ( 19.827 1.844 4.453) 20.404 12.216 ( 21.304 -3.421 1.934) 21.663 12.633 ( 29.185 0.172 0.460) 29.189 12.642 ( 30.093 -0.219 0.209) 30.095 12.944 ( 15.355 4.121 -1.916) 16.014 13.110 ( 13.494 -2.656 -1.735) 13.862 13.146 ( 6.917 1.607 0.422) 7.113 13.237 ( 7.576 -2.646 -0.815) 8.066 13.826 ( 12.354 0.222 -0.381) 12.362 13.830 ( 13.803 0.116 -0.233) 13.805 14.747 ( 11.744 0.691 0.164) 11.766 14.776 ( 12.517 -0.499 -1.511) 12.617 16.446 ( -32.714 2.250 -2.766) 32.908 16.594 ( -31.117 -4.262 -6.372) 32.047 18.429 ( -0.380 0.463 0.887) 1.071 18.445 ( 2.783 -0.227 0.706) 2.881 18.658 ( -14.061 1.852 0.494) 14.191 18.712 ( -17.281 -0.607 -2.725) 17.505 21.101 ( 17.799 1.126 0.645) 17.847 21.153 ( 17.589 -1.121 -0.470) 17.631 22.310 ( -6.808 0.594 0.331) 6.842 22.363 ( -4.537 0.272 0.710) 4.600 22.856 ( -4.136 0.279 3.841) 5.652 22.916 ( -2.429 -1.342 1.039) 2.963 27.739 ( -0.999 0.046 -0.118) 1.007 27.741 ( -1.086 -0.034 0.017) 1.086 28.100 ( 6.172 0.384 0.312) 6.192 28.116 ( 6.228 -0.338 -0.184) 6.240 29.383 ( -15.215 0.032 -2.028) 15.349 29.388 ( -15.175 -0.201 -0.848) 15.200 29.714 ( -25.305 3.040 0.981) 25.506 29.894 ( -20.737 -5.596 -7.787) 22.847 30.111 ( -5.975 2.359 -2.300) 6.823 30.162 ( -7.787 -0.617 -2.496) 8.200 30.626 ( -11.597 3.840 0.438) 12.224 30.769 ( -7.990 -2.286 -2.684) 8.733 31.185 ( 3.831 3.092 7.195) 8.718 31.453 ( 6.013 -9.367 0.723) 11.154 31.598 ( 7.702 -0.990 2.215) 8.075 31.703 ( 10.477 -3.388 2.658) 11.327 32.125 ( 12.374 4.418 -1.602) 13.236 32.159 ( 14.304 7.333 3.831) 16.525 32.315 ( 10.503 2.998 0.444) 10.932 32.579 ( 17.040 -4.549 -4.707) 18.254 ======================= Grid point 123 (67/96) ======================= q-point: (-0.20 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( -11.436 9.317 7.524) 16.559 1.474 ( -7.436 0.128 2.878) 7.975 1.579 ( 0.611 -1.563 5.597) 5.843 1.634 ( -1.240 0.166 0.899) 1.541 1.690 ( -0.383 4.409 -0.741) 4.487 1.788 ( 1.956 2.234 1.742) 3.443 1.879 ( 5.320 -1.432 -5.137) 7.533 2.012 ( -6.195 -1.358 0.585) 6.369 2.117 ( -1.452 -0.850 -3.753) 4.113 2.120 ( -0.481 -0.781 -4.209) 4.308 2.288 ( -0.600 4.114 -2.014) 4.620 2.468 ( -5.259 0.761 1.095) 5.425 2.564 ( -3.068 -7.563 -2.122) 8.432 2.671 ( 3.195 -3.190 -2.015) 4.944 2.746 ( -4.506 0.727 5.256) 6.961 2.956 ( 0.084 -4.194 -1.385) 4.418 3.058 ( 1.606 6.338 -1.692) 6.754 3.102 ( -1.412 6.642 -3.316) 7.556 3.288 ( -10.535 -1.019 -0.655) 10.605 3.423 ( -9.314 -2.340 1.076) 9.664 3.598 ( -6.960 -2.520 6.432) 9.807 3.699 ( -4.978 -5.745 0.820) 7.645 3.714 ( -9.692 3.351 -5.325) 11.555 3.821 ( -7.671 -1.032 -1.837) 7.955 4.358 ( -12.983 -3.730 -9.241) 16.367 4.391 ( -16.684 -3.246 -4.361) 17.547 4.761 ( -3.259 3.061 -4.448) 6.307 4.800 ( -6.397 1.664 0.864) 6.666 4.975 ( -3.630 4.765 0.811) 6.045 5.065 ( -3.184 -0.174 1.422) 3.491 5.377 ( -0.123 2.228 -2.071) 3.044 5.494 ( 0.906 1.468 -1.008) 1.998 5.540 ( -0.922 -2.346 4.846) 5.463 5.630 ( -3.353 2.298 0.169) 4.068 5.736 ( -2.965 -1.751 -3.705) 5.058 5.823 ( -2.152 -5.248 2.472) 6.187 5.905 ( -5.841 -7.563 -3.808) 10.286 5.981 ( -10.291 -4.928 -2.165) 11.613 6.219 ( -7.369 4.450 1.527) 8.743 6.426 ( 0.685 1.990 3.365) 3.969 6.438 ( -4.228 2.661 4.335) 6.614 6.610 ( -2.598 -0.974 9.450) 9.849 6.757 ( 2.844 8.046 0.402) 8.543 6.868 ( -0.726 2.575 2.041) 3.365 7.353 ( 5.533 -4.564 1.104) 7.257 7.464 ( 7.356 -3.711 1.367) 8.352 7.899 ( -9.726 1.589 1.915) 10.039 7.930 ( -8.082 1.455 1.246) 8.306 8.223 ( -5.638 0.108 0.355) 5.650 8.246 ( -4.926 -0.028 -0.509) 4.952 8.467 ( -3.684 3.297 -4.781) 6.878 8.579 ( -4.978 -2.085 -7.103) 8.921 8.980 ( -7.008 2.573 6.315) 9.779 9.090 ( -3.653 -2.043 3.854) 5.690 9.711 ( -0.240 0.889 -1.236) 1.541 9.748 ( 2.294 -0.346 -0.449) 2.363 9.880 ( -7.671 -0.338 4.447) 8.873 9.907 ( -6.850 -1.328 3.209) 7.680 10.478 ( 4.066 0.585 -0.276) 4.117 10.511 ( 2.948 -0.839 0.614) 3.126 11.325 ( -5.559 -0.206 0.119) 5.564 11.339 ( -5.284 -0.952 1.209) 5.503 11.857 ( -2.410 1.783 -3.689) 4.753 11.905 ( -2.179 -0.133 -4.462) 4.967 12.483 ( 17.076 1.824 4.473) 17.746 12.604 ( 14.482 -2.901 0.320) 14.774 12.794 ( -11.409 0.737 -0.219) 11.435 12.839 ( -9.674 -2.011 0.578) 9.897 13.249 ( 15.632 5.100 -1.396) 16.502 13.417 ( 23.019 -1.562 -0.370) 23.074 13.445 ( 23.349 1.145 -0.478) 23.382 13.543 ( 19.729 -3.907 -3.448) 20.406 14.264 ( 24.101 0.571 -0.211) 24.109 14.294 ( 24.832 -0.688 -0.598) 24.849 14.958 ( 8.144 0.719 0.179) 8.177 15.000 ( 8.900 -1.048 -2.257) 9.242 15.778 ( -30.396 1.602 -2.558) 30.545 15.907 ( -34.619 -4.459 -6.274) 35.464 17.839 ( -32.361 1.461 0.952) 32.408 17.869 ( -33.251 0.195 -0.999) 33.266 19.027 ( 25.773 0.687 0.490) 25.787 19.057 ( 26.530 -0.558 -0.463) 26.539 21.379 ( 9.532 0.908 0.314) 9.581 21.427 ( 9.221 -1.146 -0.526) 9.307 22.212 ( -2.935 2.774 1.589) 4.340 22.311 ( -1.178 2.205 0.868) 2.646 22.659 ( -14.757 -1.194 4.817) 15.569 22.759 ( -12.740 -3.193 0.607) 13.148 27.729 ( -0.144 -0.002 -0.001) 0.145 27.729 ( -0.117 -0.003 -0.018) 0.119 28.218 ( 5.127 0.372 0.251) 5.147 28.233 ( 4.904 -0.279 -0.221) 4.917 29.030 ( -21.905 1.085 -3.043) 22.142 29.073 ( -15.993 -0.738 -2.863) 16.264 29.192 ( -20.760 2.042 2.353) 20.992 29.353 ( -28.797 -5.760 -8.772) 30.650 29.982 ( -6.462 3.417 -0.528) 7.329 30.034 ( -5.728 -0.008 -1.793) 6.002 30.406 ( -9.364 4.744 0.348) 10.503 30.622 ( -5.972 -3.988 -4.586) 8.521 31.247 ( 2.051 4.003 7.776) 8.983 31.522 ( 2.139 -5.276 -5.280) 7.765 31.776 ( 8.284 -6.857 4.702) 11.736 31.912 ( 9.118 -9.492 3.733) 13.682 32.365 ( 10.753 5.837 0.171) 12.237 32.519 ( 9.217 6.909 -0.947) 11.558 32.571 ( 23.830 8.347 5.875) 25.924 32.938 ( 17.835 -4.023 -5.530) 19.101 ======================= Grid point 124 (68/96) ======================= q-point: (-0.10 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -11.481 5.470 16.185) 20.583 1.333 ( -1.582 7.045 9.879) 12.236 1.555 ( -4.471 -4.139 8.220) 10.232 1.613 ( 1.037 1.313 1.289) 2.112 1.739 ( 3.019 1.346 0.171) 3.310 1.773 ( -6.742 -1.753 5.032) 8.594 1.917 ( 3.245 -2.910 -2.595) 5.073 1.987 ( -0.815 -1.766 2.092) 2.857 2.045 ( -8.135 3.425 4.065) 9.718 2.126 ( 0.203 -0.992 -6.088) 6.172 2.282 ( -1.209 5.376 -3.774) 6.679 2.353 ( -6.408 6.087 4.866) 10.089 2.464 ( -6.309 -4.830 -10.773) 13.386 2.645 ( -3.583 3.740 -5.529) 7.576 2.765 ( -3.787 -5.460 1.171) 6.747 2.790 ( -6.649 -5.355 5.661) 10.244 2.983 ( -11.056 2.771 0.283) 11.401 3.069 ( -4.506 7.670 -3.551) 9.578 3.166 ( -1.791 -5.312 -5.609) 7.930 3.195 ( -0.132 0.634 -5.947) 5.982 3.337 ( -13.621 -2.810 -6.313) 15.274 3.473 ( -11.662 8.783 -8.225) 16.757 3.567 ( -1.060 -12.224 -2.674) 12.558 3.756 ( 0.073 -1.525 -1.902) 2.439 4.141 ( -4.918 -0.221 -6.424) 8.094 4.229 ( 0.069 -3.166 0.041) 3.167 4.703 ( -2.048 1.661 -1.557) 3.062 4.719 ( -2.499 2.690 -1.284) 3.889 4.973 ( 0.379 0.531 5.525) 5.564 5.054 ( -0.428 -0.641 4.169) 4.240 5.334 ( -4.563 0.512 1.562) 4.850 5.449 ( -3.875 0.136 -1.854) 4.297 5.500 ( -0.836 -0.023 -0.599) 1.029 5.603 ( -2.022 -1.940 -5.912) 6.542 5.621 ( -2.955 3.605 4.108) 6.213 5.725 ( -2.253 0.939 -3.408) 4.192 5.850 ( -0.109 -2.726 2.830) 3.931 5.933 ( 0.274 -6.915 -2.099) 7.232 6.137 ( -1.956 -0.555 1.360) 2.446 6.255 ( -7.708 -6.371 0.664) 10.022 6.481 ( 3.235 11.737 3.411) 12.644 6.724 ( 2.545 8.209 0.822) 8.634 6.786 ( 4.157 -0.425 11.124) 11.883 6.943 ( 6.433 -0.629 2.944) 7.103 7.472 ( 4.660 -4.757 2.646) 7.166 7.568 ( 1.423 -2.909 3.103) 4.486 7.750 ( -5.233 -0.272 5.006) 7.247 7.820 ( -3.308 -1.184 2.652) 4.402 8.065 ( -6.902 1.951 -2.573) 7.620 8.161 ( -2.215 -1.471 -4.428) 5.165 8.434 ( -0.228 -0.164 -3.386) 3.398 8.500 ( -3.158 -3.564 -3.764) 6.069 8.911 ( 0.060 6.663 5.898) 8.898 9.079 ( 2.143 1.100 0.978) 2.600 9.674 ( -4.361 0.316 1.778) 4.720 9.706 ( -7.525 -0.205 3.790) 8.428 9.815 ( 2.020 -0.671 1.865) 2.830 9.819 ( 0.209 -0.507 2.603) 2.660 10.557 ( 2.593 0.381 -0.963) 2.793 10.573 ( 2.007 -0.245 -0.645) 2.123 11.304 ( 2.766 -0.298 -0.198) 2.789 11.314 ( 2.155 -0.946 0.903) 2.520 11.804 ( -2.061 2.039 -2.058) 3.555 11.860 ( -1.584 0.028 -4.670) 4.931 12.513 ( -12.015 0.738 -0.359) 12.043 12.542 ( -11.730 -0.626 1.098) 11.797 12.752 ( 8.093 1.288 3.869) 9.063 12.855 ( 5.717 -3.293 -1.615) 6.793 13.536 ( 11.832 4.869 -1.608) 12.895 13.798 ( 12.034 -5.270 -2.565) 13.385 13.858 ( 14.696 0.813 -0.424) 14.725 13.907 ( 12.368 -2.908 -4.344) 13.427 14.669 ( 12.999 0.392 -0.252) 13.008 14.707 ( 12.456 -1.421 -0.979) 12.575 14.985 ( -6.769 0.339 -0.735) 6.817 15.023 ( -11.065 -1.715 -2.593) 11.493 15.373 ( -5.821 0.659 0.006) 5.859 15.396 ( -4.473 0.233 -0.898) 4.568 17.258 ( -22.761 0.715 0.171) 22.773 17.283 ( -22.073 0.306 -1.090) 22.102 19.567 ( 24.861 1.236 1.716) 24.950 19.628 ( 27.093 -1.470 -0.320) 27.135 21.499 ( 2.497 0.560 0.013) 2.559 21.534 ( 1.467 -1.035 -0.526) 1.871 22.153 ( -6.900 5.468 1.168) 8.881 22.197 ( -12.669 6.430 1.286) 14.266 22.411 ( -3.519 -4.290 3.451) 6.534 22.465 ( -11.416 -5.655 0.356) 12.745 27.729 ( 0.130 0.052 0.101) 0.173 27.732 ( 0.213 -0.036 -0.013) 0.216 28.300 ( 2.685 0.233 0.060) 2.696 28.308 ( 2.330 -0.130 -0.169) 2.340 28.534 ( -21.322 1.152 -0.748) 21.366 28.615 ( -26.511 -2.635 -7.165) 27.588 28.923 ( -8.065 0.166 0.839) 8.111 28.938 ( -9.836 -0.371 0.548) 9.858 29.865 ( -4.449 4.585 1.619) 6.591 29.933 ( -3.766 0.279 -1.877) 4.217 30.259 ( -4.878 4.751 0.501) 6.828 30.525 ( -3.268 -5.492 -7.053) 9.518 31.276 ( 0.529 4.326 7.767) 8.906 31.553 ( 1.040 -4.758 -6.335) 7.991 31.919 ( 5.277 -8.875 4.959) 11.454 32.060 ( 5.133 -12.213 2.509) 13.483 32.544 ( 6.383 6.793 1.343) 9.418 32.660 ( 4.328 5.483 -0.856) 7.038 33.071 ( 22.071 8.306 1.266) 23.617 33.264 ( 12.715 -0.683 -5.009) 13.684 ======================= Grid point 125 (69/96) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -2.583 -15.964 11.707) 19.964 1.049 ( -2.583 15.964 11.707) 19.964 1.592 ( -2.360 -7.016 10.822) 13.112 1.592 ( -2.360 7.016 10.822) 13.112 1.728 ( -4.924 -6.206 5.580) 9.690 1.728 ( -4.924 6.206 5.580) 9.690 1.840 ( -0.714 -1.983 -1.263) 2.457 1.840 ( -0.714 1.983 -1.263) 2.457 2.085 ( 1.419 -3.083 -1.393) 3.668 2.085 ( 1.419 3.083 -1.393) 3.668 2.314 ( -0.450 -4.663 -10.298) 11.314 2.314 ( -0.450 4.663 -10.298) 11.314 2.525 ( -2.098 -14.683 4.499) 15.499 2.525 ( -2.098 14.683 4.499) 15.499 2.633 ( 4.099 -2.381 -0.366) 4.754 2.633 ( 4.099 2.381 -0.366) 4.754 2.985 ( -0.626 -5.428 0.047) 5.464 2.985 ( -0.626 5.428 0.047) 5.464 3.187 ( 5.603 -1.268 -7.839) 9.718 3.187 ( 5.603 1.268 -7.839) 9.718 3.362 ( 1.353 -8.312 -5.583) 10.104 3.362 ( 1.353 8.312 -5.583) 10.104 3.581 ( -2.010 -10.779 -11.031) 15.553 3.581 ( -2.010 10.779 -11.031) 15.553 4.209 ( 4.673 -3.801 -0.685) 6.062 4.209 ( 4.673 3.801 -0.685) 6.062 4.659 ( -3.879 -1.462 -0.060) 4.146 4.659 ( -3.879 1.462 -0.060) 4.146 5.022 ( 0.936 -3.909 4.217) 5.826 5.022 ( 0.936 3.909 4.217) 5.826 5.295 ( -4.898 -5.777 4.302) 8.710 5.295 ( -4.898 5.777 4.302) 8.710 5.551 ( 1.903 -1.277 -6.707) 7.087 5.551 ( 1.903 1.277 -6.707) 7.087 5.703 ( -0.286 -5.814 3.819) 6.962 5.703 ( -0.286 5.814 3.819) 6.962 5.847 ( 0.423 -3.519 -0.476) 3.576 5.847 ( 0.423 3.519 -0.476) 3.576 6.121 ( 1.748 -1.383 -0.126) 2.232 6.121 ( 1.748 1.383 -0.126) 2.232 6.731 ( -0.973 -7.783 8.657) 11.682 6.731 ( -0.973 7.783 8.657) 11.682 6.923 ( 0.992 -10.026 -2.608) 10.407 6.923 ( 0.992 10.026 -2.608) 10.407 7.512 ( 1.035 -2.742 4.453) 5.331 7.512 ( 1.035 2.742 4.453) 5.331 7.687 ( -3.372 -3.278 6.604) 8.107 7.687 ( -3.372 3.278 6.604) 8.107 8.080 ( 1.492 -5.158 -5.271) 7.524 8.080 ( 1.492 5.158 -5.271) 7.524 8.402 ( -1.752 -1.165 -2.264) 3.091 8.402 ( -1.752 1.165 -2.264) 3.091 9.120 ( 3.031 -6.388 3.225) 7.771 9.120 ( 3.031 6.388 3.225) 7.771 9.624 ( 0.531 -1.235 1.999) 2.409 9.624 ( 0.531 1.235 1.999) 2.409 9.821 ( -0.725 -1.023 2.704) 2.981 9.821 ( -0.725 1.023 2.704) 2.981 10.577 ( -1.055 -0.478 -0.712) 1.360 10.577 ( -1.055 0.478 -0.712) 1.360 11.358 ( 1.153 -0.241 0.250) 1.204 11.358 ( 1.153 0.241 0.250) 1.204 11.815 ( -1.676 -1.947 -1.996) 3.254 11.815 ( -1.676 1.947 -1.996) 3.254 12.392 ( 0.985 -0.663 -0.642) 1.350 12.392 ( 0.985 0.663 -0.642) 1.350 12.887 ( 2.161 -3.168 -0.757) 3.909 12.887 ( 2.161 3.168 -0.757) 3.909 13.732 ( -0.938 -2.869 -2.984) 4.244 13.732 ( -0.938 2.869 -2.984) 4.244 14.015 ( -0.746 -0.200 0.017) 0.772 14.015 ( -0.746 0.200 0.017) 0.772 14.738 ( 0.153 -0.542 -0.025) 0.563 14.738 ( 0.153 0.542 -0.025) 0.563 14.946 ( -0.326 -0.487 -0.729) 0.935 14.946 ( -0.326 0.487 -0.729) 0.935 15.405 ( 0.176 -0.796 0.028) 0.815 15.405 ( 0.176 0.796 0.028) 0.815 17.031 ( 1.173 -2.251 -1.546) 2.971 17.031 ( 1.173 2.251 -1.546) 2.971 19.923 ( 0.756 -2.566 0.481) 2.718 19.923 ( 0.756 2.566 0.481) 2.718 21.514 ( 0.029 -0.199 -0.454) 0.496 21.514 ( 0.029 0.199 -0.454) 0.496 22.033 ( -1.853 -3.724 1.096) 4.302 22.033 ( -1.853 3.724 1.096) 4.302 22.387 ( 1.656 -2.824 1.715) 3.696 22.387 ( 1.656 2.824 1.715) 3.696 27.733 ( -0.027 -0.110 0.116) 0.162 27.733 ( -0.027 0.110 0.116) 0.162 28.292 ( -0.277 -0.131 -0.151) 0.341 28.292 ( -0.277 0.131 -0.151) 0.341 28.327 ( -0.291 -0.038 0.016) 0.294 28.327 ( -0.291 0.038 0.016) 0.294 28.846 ( 0.314 -0.535 0.783) 0.999 28.846 ( 0.314 0.535 0.783) 0.999 29.881 ( -0.334 -1.703 -1.937) 2.601 29.881 ( -0.334 1.703 -1.937) 2.601 30.341 ( -0.175 -8.699 -3.333) 9.317 30.341 ( -0.175 8.699 -3.333) 9.317 31.394 ( -1.377 -8.984 6.317) 11.068 31.394 ( -1.377 8.984 6.317) 11.068 31.964 ( 1.602 -5.451 -1.240) 5.815 31.964 ( 1.602 5.451 -1.240) 5.815 32.709 ( -0.305 -2.647 2.322) 3.535 32.709 ( -0.305 2.647 2.322) 3.535 33.404 ( 0.004 -1.763 -5.800) 6.062 33.404 ( 0.004 1.763 -5.800) 6.062 ======================= Grid point 127 (70/96) ======================= q-point: ( 0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 12.486 -13.647 10.345) 21.193 1.162 ( 12.486 13.647 10.345) 21.193 1.587 ( 1.826 -8.840 11.213) 14.395 1.587 ( 1.826 8.840 11.213) 14.395 1.668 ( -1.234 -3.162 0.160) 3.398 1.668 ( -1.234 3.162 0.160) 3.398 1.839 ( -1.550 -1.315 -0.291) 2.053 1.839 ( -1.550 1.315 -0.291) 2.053 2.142 ( 2.912 -1.573 -1.264) 3.543 2.142 ( 2.912 1.573 -1.264) 3.543 2.342 ( 2.763 -5.206 -12.217) 13.565 2.342 ( 2.763 5.206 -12.217) 13.565 2.570 ( 5.429 -11.725 2.506) 13.162 2.570 ( 5.429 11.725 2.506) 13.162 2.850 ( 16.080 -5.264 -0.039) 16.920 2.850 ( 16.080 5.264 -0.039) 16.920 3.009 ( 3.967 -2.891 6.018) 7.766 3.009 ( 3.967 2.891 6.018) 7.766 3.248 ( -3.079 -6.580 -1.069) 7.343 3.248 ( -3.079 6.580 -1.069) 7.343 3.399 ( 5.339 -6.033 -10.890) 13.546 3.399 ( 5.339 6.033 -10.890) 13.546 3.605 ( 4.964 -2.335 -8.638) 10.233 3.605 ( 4.964 2.335 -8.638) 10.233 4.314 ( 3.095 -1.834 -7.798) 8.588 4.314 ( 3.095 1.834 -7.798) 8.588 4.638 ( 4.514 -2.094 3.623) 6.155 4.638 ( 4.514 2.094 3.623) 6.155 5.057 ( 2.349 -5.529 6.016) 8.502 5.057 ( 2.349 5.529 6.016) 8.502 5.219 ( -1.583 -6.954 3.534) 7.959 5.219 ( -1.583 6.954 3.534) 7.959 5.584 ( 0.349 -0.984 -5.243) 5.346 5.584 ( 0.349 0.984 -5.243) 5.346 5.672 ( -2.462 -6.429 2.952) 7.491 5.672 ( -2.462 6.429 2.952) 7.491 5.879 ( 3.413 -2.802 -0.456) 4.439 5.879 ( 3.413 2.802 -0.456) 4.439 6.211 ( 6.534 -3.122 -1.359) 7.368 6.211 ( 6.534 3.122 -1.359) 7.368 6.659 ( -5.007 -6.032 7.472) 10.829 6.659 ( -5.007 6.032 7.472) 10.829 6.935 ( 0.078 -12.225 -1.947) 12.380 6.935 ( 0.078 12.225 -1.947) 12.380 7.487 ( -5.194 -8.003 3.637) 10.210 7.487 ( -5.194 8.003 3.637) 10.210 7.701 ( 6.153 -1.807 6.976) 9.475 7.701 ( 6.153 1.807 6.976) 9.475 8.128 ( 2.812 -5.674 -5.706) 8.524 8.128 ( 2.812 5.674 -5.706) 8.524 8.405 ( 2.728 -0.858 -0.845) 2.982 8.405 ( 2.728 0.858 -0.845) 2.982 9.150 ( 0.822 -4.701 0.823) 4.843 9.150 ( 0.822 4.701 0.823) 4.843 9.655 ( 0.302 -1.152 2.742) 2.989 9.655 ( 0.302 1.152 2.742) 2.989 9.850 ( 5.062 -0.790 1.928) 5.474 9.850 ( 5.062 0.790 1.928) 5.474 10.522 ( -4.503 -0.960 0.328) 4.616 10.522 ( -4.503 0.960 0.328) 4.616 11.351 ( -0.118 -0.771 -0.752) 1.084 11.351 ( -0.118 0.771 -0.752) 1.084 11.768 ( -2.150 -2.087 -0.579) 3.052 11.768 ( -2.150 2.087 -0.579) 3.052 12.559 ( 13.388 -1.640 -1.052) 13.529 12.559 ( 13.388 1.640 -1.052) 13.529 12.871 ( -4.792 -6.100 -2.056) 8.025 12.871 ( -4.792 6.100 -2.056) 8.025 13.637 ( -9.633 -4.272 -3.171) 11.004 13.637 ( -9.633 4.272 -3.171) 11.004 13.846 ( -15.349 -0.945 0.486) 15.385 13.846 ( -15.349 0.945 0.486) 15.385 14.691 ( -12.519 -0.346 -0.842) 12.552 14.691 ( -12.519 0.346 -0.842) 12.552 14.989 ( 8.982 -0.188 -0.776) 9.017 14.989 ( 8.982 0.188 -0.776) 9.017 15.384 ( 3.239 -1.129 -0.000) 3.430 15.384 ( 3.239 1.129 -0.000) 3.430 17.317 ( 24.378 -4.721 -2.899) 24.999 17.317 ( 24.378 4.721 -2.899) 24.999 19.614 ( -25.778 -1.111 0.095) 25.802 19.614 ( -25.778 1.111 0.095) 25.802 21.516 ( -1.924 -0.228 -0.469) 1.994 21.516 ( -1.924 0.228 -0.469) 1.994 22.211 ( 13.857 -4.427 2.924) 14.838 22.211 ( 13.857 4.427 2.924) 14.838 22.412 ( 3.134 -7.191 0.746) 7.880 22.412 ( 3.134 7.191 0.746) 7.880 27.729 ( -0.267 -0.145 0.101) 0.320 27.729 ( -0.267 0.145 0.101) 0.320 28.294 ( -2.872 -0.120 0.256) 2.886 28.294 ( -2.872 0.120 0.256) 2.886 28.559 ( 23.563 -3.072 -2.594) 23.903 28.559 ( 23.563 3.072 -2.594) 23.903 28.942 ( 9.178 -0.976 0.689) 9.255 28.942 ( 9.178 0.976 0.689) 9.255 29.910 ( 3.085 -1.103 -1.775) 3.726 29.910 ( 3.085 1.103 -1.775) 3.726 30.377 ( 3.708 -7.069 -2.910) 8.496 30.377 ( 3.708 7.069 -2.910) 8.496 31.355 ( -2.498 -8.185 6.763) 10.907 31.355 ( -2.498 8.185 6.763) 10.907 31.957 ( -2.272 -5.327 -1.794) 6.063 31.957 ( -2.272 5.327 -1.794) 6.063 32.645 ( -5.904 -1.587 2.850) 6.745 32.645 ( -5.904 1.587 2.850) 6.745 33.208 ( -17.432 -2.786 -4.484) 18.214 33.208 ( -17.432 2.786 -4.484) 18.214 ======================= Grid point 129 (71/96) ======================= q-point: ( 0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 11.746 -10.124 4.090) 16.038 1.466 ( 11.746 10.124 4.090) 16.038 1.641 ( 3.234 -4.583 4.984) 7.504 1.641 ( 3.234 4.583 4.984) 7.504 1.675 ( 2.963 -2.765 -0.421) 4.074 1.675 ( 2.963 2.765 -0.421) 4.074 1.802 ( 0.775 -3.011 -2.014) 3.704 1.802 ( 0.775 3.011 -2.014) 3.704 2.156 ( -0.661 -1.531 -0.856) 1.875 2.156 ( -0.661 1.531 -0.856) 1.875 2.394 ( 1.808 -5.059 -8.966) 10.452 2.394 ( 1.808 5.059 -8.966) 10.452 2.677 ( 3.184 -4.133 -0.448) 5.237 2.677 ( 3.184 4.133 -0.448) 5.237 2.923 ( -1.359 -1.933 1.875) 3.016 2.923 ( -1.359 1.933 1.875) 3.016 3.159 ( -1.804 -2.744 -3.486) 4.789 3.159 ( -1.804 2.744 -3.486) 4.789 3.423 ( 21.275 -4.018 0.403) 21.655 3.423 ( 21.275 4.018 0.403) 21.655 3.510 ( 5.638 -1.609 1.186) 5.982 3.510 ( 5.638 1.609 1.186) 5.982 3.753 ( 9.257 -0.642 -0.055) 9.279 3.753 ( 9.257 0.642 -0.055) 9.279 4.320 ( 1.365 -3.078 -7.546) 8.263 4.320 ( 1.365 3.078 -7.546) 8.263 4.752 ( 0.754 -6.099 0.216) 6.149 4.752 ( 0.754 6.099 0.216) 6.149 5.140 ( 4.557 -7.642 1.471) 9.018 5.140 ( 4.557 7.642 1.471) 9.018 5.263 ( 5.731 -9.622 6.060) 12.734 5.263 ( 5.731 9.622 6.060) 12.734 5.528 ( -4.187 -0.999 -0.594) 4.346 5.528 ( -4.187 0.999 -0.594) 4.346 5.665 ( 1.580 -8.313 0.228) 8.465 5.665 ( 1.580 8.313 0.228) 8.465 6.008 ( 10.154 -3.167 -2.448) 10.915 6.008 ( 10.154 3.167 -2.448) 10.915 6.350 ( 4.833 -6.047 -0.615) 7.766 6.350 ( 4.833 6.047 -0.615) 7.766 6.600 ( 1.322 -5.934 6.969) 9.248 6.600 ( 1.322 5.934 6.969) 9.248 6.926 ( 0.020 -12.093 -2.548) 12.358 6.926 ( 0.020 12.093 -2.548) 12.358 7.365 ( -4.910 -9.333 1.999) 10.733 7.365 ( -4.910 9.333 1.999) 10.733 7.889 ( 10.611 -1.413 3.563) 11.283 7.889 ( 10.611 1.413 3.563) 11.283 8.190 ( 3.512 -7.359 -0.541) 8.172 8.190 ( 3.512 7.359 -0.541) 8.172 8.518 ( 8.093 -1.621 -3.603) 9.006 8.518 ( 8.093 1.621 -3.603) 9.006 9.196 ( 4.050 -3.042 0.260) 5.072 9.196 ( 4.050 3.042 0.260) 5.072 9.656 ( 1.175 -0.100 0.880) 1.471 9.656 ( 1.175 0.100 0.880) 1.471 9.982 ( 5.594 -2.058 0.399) 5.974 9.982 ( 5.594 2.058 0.399) 5.974 10.411 ( -4.745 -1.735 2.782) 5.768 10.411 ( -4.745 1.735 2.782) 5.768 11.410 ( 6.329 -0.768 -1.545) 6.560 11.410 ( 6.329 0.768 -1.545) 6.560 11.742 ( -0.542 -1.768 1.208) 2.209 11.742 ( -0.542 1.768 1.208) 2.209 12.662 ( -14.806 -5.264 -2.326) 15.886 12.662 ( -14.806 5.264 -2.326) 15.886 12.845 ( 10.574 -1.598 -0.708) 10.718 12.845 ( 10.574 1.598 -0.708) 10.718 13.326 ( -20.398 -3.446 -1.419) 20.735 13.326 ( -20.398 3.446 -1.419) 20.735 13.454 ( -18.982 -1.687 -0.023) 19.057 13.454 ( -18.982 1.687 -0.023) 19.057 14.284 ( -24.512 -0.371 -0.708) 24.525 14.284 ( -24.512 0.371 -0.708) 24.525 14.978 ( -8.572 -1.300 -0.871) 8.714 14.978 ( -8.572 1.300 -0.871) 8.714 15.812 ( 33.087 -1.520 -2.853) 33.244 15.812 ( 33.087 1.520 -2.853) 33.244 17.922 ( 33.064 -4.743 -2.908) 33.529 17.922 ( 33.064 4.743 -2.908) 33.529 19.052 ( -26.831 -0.272 -0.246) 26.834 19.052 ( -26.831 0.272 -0.246) 26.834 21.402 ( -9.363 -0.290 -0.288) 9.372 21.402 ( -9.363 0.290 -0.288) 9.372 22.322 ( 0.920 -2.737 1.477) 3.243 22.322 ( 0.920 2.737 1.477) 3.243 22.653 ( 14.315 -7.847 2.770) 16.557 22.653 ( 14.315 7.847 2.770) 16.557 27.726 ( 0.095 -0.189 0.072) 0.223 27.726 ( 0.095 0.189 0.072) 0.223 28.213 ( -4.911 -0.227 0.389) 4.932 28.213 ( -4.911 0.227 0.389) 4.932 29.065 ( 20.635 -1.895 -4.089) 21.122 29.065 ( 20.635 1.895 -4.089) 21.122 29.261 ( 23.997 -5.092 -0.711) 24.542 29.261 ( 23.997 5.092 -0.711) 24.542 29.995 ( 4.966 -0.537 -1.437) 5.197 29.995 ( 4.966 0.537 -1.437) 5.197 30.485 ( 6.747 -4.098 -1.666) 8.068 30.485 ( 6.747 4.098 -1.666) 8.068 31.306 ( -2.243 -6.560 6.585) 9.562 31.306 ( -2.243 6.560 6.585) 9.562 31.869 ( -6.282 -4.498 -1.744) 7.920 31.869 ( -6.282 4.498 -1.744) 7.920 32.475 ( -10.762 -5.147 3.742) 12.502 32.475 ( -10.762 5.147 3.742) 12.502 32.785 ( -21.375 -6.040 -3.793) 22.534 32.785 ( -21.375 6.040 -3.793) 22.534 ======================= Grid point 131 (72/96) ======================= q-point: ( 0.30 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 0.134 -3.009 0.439) 3.043 1.558 ( 0.134 3.009 0.439) 3.043 1.670 ( -1.024 -2.150 -0.284) 2.398 1.670 ( -1.024 2.150 -0.284) 2.398 1.732 ( 5.162 -4.348 -2.752) 7.289 1.732 ( 5.162 4.348 -2.752) 7.289 1.974 ( 7.220 -3.038 1.388) 7.955 1.974 ( 7.220 3.038 1.388) 7.955 2.187 ( 5.792 -2.720 -0.538) 6.422 2.187 ( 5.792 2.720 -0.538) 6.422 2.413 ( 1.097 -7.652 -3.924) 8.670 2.413 ( 1.097 7.652 -3.924) 8.670 2.662 ( -2.943 -1.532 -2.314) 4.045 2.662 ( -2.943 1.532 -2.314) 4.045 2.949 ( 3.276 -8.791 3.639) 10.063 2.949 ( 3.276 8.791 3.639) 10.063 3.215 ( 7.419 -3.387 -3.520) 8.883 3.215 ( 7.419 3.387 -3.520) 8.883 3.499 ( -2.227 -2.167 0.241) 3.117 3.499 ( -2.227 2.167 0.241) 3.117 3.658 ( -1.794 -3.967 -4.395) 6.186 3.658 ( -1.794 3.967 -4.395) 6.186 3.958 ( 7.949 -2.709 5.889) 10.257 3.958 ( 7.949 2.709 5.889) 10.257 4.483 ( 13.359 -1.739 -6.141) 14.805 4.483 ( 13.359 1.739 -6.141) 14.805 4.680 ( -4.857 -3.625 2.764) 6.661 4.680 ( -4.857 3.625 2.764) 6.661 5.157 ( -3.017 -5.350 1.840) 6.412 5.157 ( -3.017 5.350 1.840) 6.412 5.361 ( 2.556 -4.696 5.830) 7.910 5.361 ( 2.556 4.696 5.830) 7.910 5.497 ( 1.543 -1.193 -0.222) 1.963 5.497 ( 1.543 1.193 -0.222) 1.963 5.699 ( 1.263 -6.693 -1.222) 6.920 5.699 ( 1.263 6.693 -1.222) 6.920 6.256 ( 9.557 -3.290 -2.979) 10.537 6.256 ( 9.557 3.290 -2.979) 10.537 6.360 ( -0.432 -4.190 2.534) 4.916 6.360 ( -0.432 4.190 2.534) 4.916 6.688 ( 2.808 -4.819 4.332) 7.062 6.688 ( 2.808 4.819 4.332) 7.062 7.029 ( 10.207 -7.764 -2.816) 13.130 7.029 ( 10.207 7.764 -2.816) 13.130 7.348 ( 5.004 -6.813 -1.232) 8.543 7.348 ( 5.004 6.813 -1.232) 8.543 8.079 ( 6.215 -1.802 3.765) 7.487 8.079 ( 6.215 1.802 3.765) 7.487 8.310 ( 9.501 -2.754 0.468) 9.903 8.310 ( 9.501 2.754 0.468) 9.903 8.713 ( 10.751 -1.800 -6.860) 12.879 8.713 ( 10.751 1.800 -6.860) 12.879 9.298 ( 5.158 -1.972 1.717) 5.782 9.298 ( 5.158 1.972 1.717) 5.782 9.750 ( 8.140 -0.505 -1.808) 8.354 9.750 ( 8.140 0.505 -1.808) 8.354 10.009 ( -1.622 -1.002 -1.665) 2.531 10.009 ( -1.622 1.002 -1.665) 2.531 10.422 ( 6.179 -3.091 5.872) 9.067 10.422 ( 6.179 3.091 5.872) 9.067 11.588 ( 9.679 -0.612 -1.442) 9.805 11.588 ( 9.679 0.612 -1.442) 9.805 11.744 ( 0.825 -0.903 3.817) 4.008 11.744 ( 0.825 0.903 3.817) 4.008 12.291 ( -20.085 -3.678 -2.443) 20.565 12.291 ( -20.085 3.678 -2.443) 20.565 12.621 ( -30.086 -0.064 0.726) 30.095 12.621 ( -30.086 0.064 0.726) 30.095 12.991 ( -14.336 -3.044 -1.035) 14.692 12.991 ( -14.336 3.044 -1.035) 14.692 13.239 ( -6.501 -0.708 -1.258) 6.660 13.239 ( -6.501 0.708 -1.258) 6.660 13.832 ( -12.588 -0.195 -0.383) 12.596 13.832 ( -12.588 0.195 -0.383) 12.596 14.756 ( -12.366 -1.012 -0.437) 12.415 14.756 ( -12.366 1.012 -0.437) 12.415 16.512 ( 33.341 -0.352 -4.087) 33.593 16.512 ( 33.341 0.352 -4.087) 33.593 18.462 ( -9.013 -0.370 -0.278) 9.024 18.462 ( -9.013 0.370 -0.278) 9.024 18.714 ( 21.965 -3.483 -2.057) 22.335 18.714 ( 21.965 3.483 -2.057) 22.335 21.126 ( -17.749 -0.334 0.014) 17.752 21.126 ( -17.749 0.334 0.014) 17.752 22.367 ( 4.130 -0.618 0.633) 4.224 22.367 ( 4.130 0.618 0.633) 4.224 22.850 ( 4.319 -5.083 2.714) 7.201 22.850 ( 4.319 5.083 2.714) 7.201 27.737 ( 1.062 -0.194 0.032) 1.081 27.737 ( 1.062 0.194 0.032) 1.081 28.100 ( -5.902 -0.227 0.287) 5.914 28.100 ( -5.902 0.227 0.287) 5.914 29.419 ( 15.891 -0.869 -2.545) 16.117 29.419 ( 15.891 0.869 -2.545) 16.117 29.789 ( 23.073 -6.830 -2.497) 24.192 29.789 ( 23.073 6.830 -2.497) 24.192 30.102 ( 6.005 -0.357 -0.946) 6.090 30.102 ( 6.005 0.357 -0.946) 6.090 30.648 ( 9.104 -1.549 0.204) 9.237 30.648 ( 9.104 1.549 0.204) 9.237 31.270 ( -1.799 -4.164 5.409) 7.059 31.270 ( -1.799 4.164 5.409) 7.059 31.701 ( -9.954 -2.682 -1.019) 10.360 31.701 ( -9.954 2.682 -1.019) 10.360 32.217 ( -13.453 -6.687 2.514) 15.232 32.217 ( -13.453 6.687 2.514) 15.232 32.408 ( -14.761 -6.521 -3.152) 16.442 32.408 ( -14.761 6.521 -3.152) 16.442 ======================= Grid point 133 (73/96) ======================= q-point: ( 0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -1.410 -1.002 0.412) 1.779 1.538 ( -1.410 1.002 0.412) 1.779 1.644 ( -1.163 -0.826 0.172) 1.437 1.644 ( -1.163 0.826 0.172) 1.437 1.863 ( 5.973 -5.101 -1.057) 7.925 1.863 ( 5.973 5.101 -1.057) 7.925 2.039 ( 2.030 -3.916 0.881) 4.498 2.039 ( 2.030 3.916 0.881) 4.498 2.275 ( 0.612 -2.651 -0.281) 2.735 2.275 ( 0.612 2.651 -0.281) 2.735 2.463 ( 2.924 -3.469 -0.450) 4.560 2.463 ( 2.924 3.469 -0.450) 4.560 2.640 ( 1.619 -5.241 -2.250) 5.929 2.640 ( 1.619 5.241 -2.250) 5.929 3.025 ( 2.924 -10.143 -0.550) 10.571 3.025 ( 2.924 10.143 -0.550) 10.571 3.369 ( 1.172 -1.867 -3.229) 3.909 3.369 ( 1.172 1.867 -3.229) 3.909 3.430 ( -1.113 -3.188 4.124) 5.330 3.430 ( -1.113 3.188 4.124) 5.330 3.553 ( -3.630 -4.577 -3.646) 6.886 3.553 ( -3.630 4.577 -3.646) 6.886 4.019 ( -1.330 -0.518 2.754) 3.102 4.019 ( -1.330 0.518 2.754) 3.102 4.645 ( 2.165 -5.029 0.810) 5.535 4.645 ( 2.165 5.029 0.810) 5.535 4.725 ( 8.740 -3.318 -7.826) 12.192 4.725 ( 8.740 3.318 -7.826) 12.192 5.070 ( -3.479 -11.459 6.987) 13.865 5.070 ( -3.479 11.459 6.987) 13.865 5.398 ( 0.426 -2.337 3.677) 4.378 5.398 ( 0.426 2.337 3.677) 4.378 5.526 ( 0.301 -3.826 0.302) 3.849 5.526 ( 0.301 3.826 0.302) 3.849 5.742 ( 3.900 -1.703 -1.395) 4.478 5.742 ( 3.900 1.703 -1.395) 4.478 6.258 ( -3.199 -7.221 -0.259) 7.903 6.258 ( -3.199 7.221 -0.259) 7.903 6.422 ( 0.874 -7.639 0.278) 7.694 6.422 ( 0.874 7.639 0.278) 7.694 6.768 ( 5.947 -6.851 3.471) 9.713 6.768 ( 5.947 6.851 3.471) 9.713 7.138 ( 0.406 -4.026 0.170) 4.050 7.138 ( 0.406 4.026 0.170) 4.050 7.563 ( 10.650 -1.873 -4.704) 11.793 7.563 ( 10.650 1.873 -4.704) 11.793 8.158 ( 2.517 -0.705 5.199) 5.819 8.158 ( 2.517 0.705 5.199) 5.819 8.527 ( 9.320 -0.502 -1.536) 9.459 8.527 ( 9.320 0.502 -1.536) 9.459 8.925 ( 8.815 -1.679 -10.019) 13.450 8.925 ( 8.815 1.679 -10.019) 13.450 9.398 ( 4.561 -1.647 2.579) 5.492 9.398 ( 4.561 1.647 2.579) 5.492 9.811 ( -3.438 -0.536 0.084) 3.481 9.811 ( -3.438 0.536 0.084) 3.481 10.201 ( 23.089 -0.544 -1.854) 23.169 10.201 ( 23.089 0.544 -1.854) 23.169 10.612 ( 10.934 -3.649 4.844) 12.503 10.612 ( 10.934 3.649 4.844) 12.503 11.641 ( -11.267 -1.087 3.765) 11.929 11.641 ( -11.267 1.087 3.765) 11.929 11.667 ( -21.696 -1.525 4.493) 22.208 11.667 ( -21.696 1.525 4.493) 22.208 11.967 ( 2.623 -5.687 -1.198) 6.376 11.967 ( 2.623 5.687 -1.198) 6.376 12.153 ( -6.380 -0.442 -2.884) 7.015 12.153 ( -6.380 0.442 -2.884) 7.015 12.665 ( -16.569 -1.861 -0.852) 16.695 12.665 ( -16.569 1.861 -0.852) 16.695 12.876 ( -22.393 -0.423 -1.538) 22.450 12.876 ( -22.393 0.423 -1.538) 22.450 13.904 ( 12.842 -0.631 -0.451) 12.865 13.904 ( 12.842 0.631 -0.451) 12.865 14.484 ( -14.086 -0.498 -0.190) 14.096 14.484 ( -14.086 0.498 -0.190) 14.096 17.136 ( 27.528 -0.410 -3.553) 27.759 17.136 ( 27.528 0.410 -3.553) 27.759 18.062 ( -20.962 -0.730 -0.958) 20.997 18.062 ( -20.962 0.730 -0.958) 20.997 19.402 ( 35.206 -2.596 -0.695) 35.309 19.402 ( 35.206 2.596 -0.695) 35.309 20.678 ( -25.916 -0.731 0.304) 25.928 20.678 ( -25.916 0.731 0.304) 25.928 22.494 ( 7.957 -0.212 0.503) 7.976 22.494 ( 7.957 0.212 0.503) 7.976 22.842 ( -4.505 -3.425 1.394) 5.828 22.842 ( -4.505 3.425 1.394) 5.828 27.772 ( 2.249 -0.174 -0.012) 2.256 27.772 ( 2.249 0.174 -0.012) 2.256 27.982 ( -5.293 -0.152 0.099) 5.297 27.982 ( -5.293 0.152 0.099) 5.297 29.713 ( 12.201 -0.521 -2.896) 12.551 29.713 ( 12.201 0.521 -2.896) 12.551 30.027 ( 1.249 -2.638 -0.302) 2.935 30.027 ( 1.249 2.638 -0.302) 2.935 30.349 ( 16.781 -1.967 -1.072) 16.930 30.349 ( 16.781 1.967 -1.072) 16.930 30.840 ( 8.453 -1.286 1.120) 8.623 30.840 ( 8.453 1.286 1.120) 8.623 31.205 ( -5.420 -1.794 2.767) 6.345 31.205 ( -5.420 1.794 2.767) 6.345 31.496 ( -8.494 -1.182 0.739) 8.607 31.496 ( -8.494 1.182 0.739) 8.607 32.004 ( -6.005 -2.918 -0.073) 6.677 32.004 ( -6.005 2.918 -0.073) 6.677 32.156 ( -10.189 -2.925 -1.406) 10.694 32.156 ( -10.189 2.925 -1.406) 10.694 ======================= Grid point 135 (74/96) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -1.383 -0.501 1.828) 2.347 1.510 ( -1.383 0.501 1.828) 2.347 1.624 ( -0.656 -0.707 0.092) 0.969 1.624 ( -0.656 0.707 0.092) 0.969 1.949 ( 1.802 -3.651 2.529) 4.793 1.949 ( 1.802 3.651 2.529) 4.793 2.043 ( -1.921 -1.458 -0.422) 2.448 2.043 ( -1.921 1.458 -0.422) 2.448 2.281 ( 0.507 -4.198 0.825) 4.308 2.281 ( 0.507 4.198 0.825) 4.308 2.467 ( -2.672 -1.932 -2.953) 4.426 2.467 ( -2.672 1.932 -2.953) 4.426 2.723 ( 5.873 -2.932 1.543) 6.743 2.723 ( 5.873 2.932 1.543) 6.743 3.002 ( -4.565 -4.577 -6.476) 9.150 3.002 ( -4.565 4.577 -6.476) 9.150 3.305 ( -7.211 -6.857 -1.395) 10.048 3.305 ( -7.211 6.857 -1.395) 10.048 3.383 ( 1.387 -3.738 6.457) 7.589 3.383 ( 1.387 3.738 6.457) 7.589 3.572 ( 0.658 -2.107 -1.128) 2.479 3.572 ( 0.658 2.107 -1.128) 2.479 4.008 ( 1.059 -2.393 1.712) 3.127 4.008 ( 1.059 2.393 1.712) 3.127 4.649 ( -1.761 -9.604 -2.546) 10.091 4.649 ( -1.761 9.604 -2.546) 10.091 4.884 ( 5.536 -2.493 -8.173) 10.182 4.884 ( 5.536 2.493 -8.173) 10.182 5.072 ( 3.471 -11.330 7.946) 14.267 5.072 ( 3.471 11.330 7.946) 14.267 5.376 ( -1.310 -7.257 -0.515) 7.392 5.376 ( -1.310 7.257 -0.515) 7.392 5.547 ( 2.622 -3.705 2.254) 5.068 5.547 ( 2.622 3.705 2.254) 5.068 5.828 ( 3.231 -3.003 -2.710) 5.177 5.828 ( 3.231 3.003 -2.710) 5.177 6.195 ( -3.097 -6.258 1.587) 7.160 6.195 ( -3.097 6.258 1.587) 7.160 6.411 ( -0.337 -4.788 -0.996) 4.902 6.411 ( -0.337 4.788 -0.996) 4.902 6.861 ( 0.339 -4.851 5.935) 7.673 6.861 ( 0.339 4.851 5.935) 7.673 7.113 ( -1.149 -0.537 -0.655) 1.427 7.113 ( -1.149 0.537 -0.655) 1.427 7.643 ( -2.942 -1.933 -2.502) 4.319 7.643 ( -2.942 1.933 -2.502) 4.319 8.199 ( 1.350 -1.047 2.054) 2.672 8.199 ( 1.350 1.047 2.054) 2.672 8.637 ( 0.870 -1.438 -1.640) 2.348 8.637 ( 0.870 1.438 -1.640) 2.348 8.994 ( -2.405 -0.148 -9.222) 9.531 8.994 ( -2.405 0.148 -9.222) 9.531 9.466 ( 0.000 -1.210 2.228) 2.536 9.466 ( 0.000 1.210 2.228) 2.536 9.744 ( -0.967 -0.565 0.954) 1.471 9.744 ( -0.967 0.565 0.954) 1.471 10.648 ( -0.875 -0.577 -0.127) 1.056 10.648 ( -0.875 0.577 -0.127) 1.056 10.832 ( 3.847 -0.085 0.719) 3.915 10.832 ( 3.847 0.085 0.719) 3.915 11.074 ( -1.024 -1.137 2.165) 2.651 11.074 ( -1.024 1.137 2.165) 2.651 11.514 ( -0.392 -0.337 8.454) 8.470 11.514 ( -0.392 0.337 8.454) 8.470 12.116 ( 1.849 -3.497 0.022) 3.956 12.116 ( 1.849 3.497 0.022) 3.956 12.169 ( -3.389 -2.494 -1.384) 4.430 12.169 ( -3.389 2.494 -1.384) 4.430 12.412 ( 0.973 -1.827 -1.344) 2.467 12.412 ( 0.973 1.827 -1.344) 2.467 12.590 ( 0.000 -1.638 -2.714) 3.170 12.590 ( 0.000 1.638 -2.714) 3.170 14.169 ( -5.710 -0.052 0.261) 5.716 14.169 ( -5.710 0.052 0.261) 5.716 14.214 ( 5.541 -0.137 -0.785) 5.598 14.214 ( 5.541 0.137 -0.785) 5.598 17.614 ( -13.732 -1.509 -2.254) 13.997 17.614 ( -13.732 1.509 -2.254) 13.997 17.649 ( 13.654 -0.795 -2.068) 13.832 17.649 ( 13.654 0.795 -2.068) 13.832 20.064 ( -11.818 -0.994 0.560) 11.873 20.064 ( -11.818 0.994 0.560) 11.873 20.106 ( 11.185 -2.224 -0.093) 11.404 20.106 ( 11.184 2.224 -0.093) 11.404 22.637 ( -0.404 -0.088 1.738) 1.786 22.637 ( -0.404 0.088 1.738) 1.786 22.735 ( 0.577 -1.921 -0.594) 2.092 22.735 ( 0.577 1.921 -0.594) 2.092 27.810 ( 0.091 -0.015 -0.050) 0.105 27.810 ( 0.091 0.015 -0.050) 0.105 27.913 ( 0.003 -0.264 0.005) 0.264 27.913 ( 0.003 0.264 0.005) 0.264 29.843 ( -2.269 -0.273 -2.822) 3.631 29.843 ( -2.269 0.273 -2.822) 3.631 30.029 ( 2.366 -0.934 0.004) 2.544 30.029 ( 2.366 0.934 0.004) 2.544 30.595 ( 1.974 -2.241 0.285) 3.000 30.595 ( 1.974 2.241 0.285) 3.000 30.893 ( -1.402 -2.772 -2.108) 3.754 30.893 ( -1.402 2.772 -2.108) 3.754 31.140 ( 0.194 -1.659 3.967) 4.304 31.140 ( 0.194 1.659 3.967) 4.304 31.393 ( -0.515 -1.509 1.226) 2.011 31.393 ( -0.515 1.509 1.226) 2.011 31.969 ( -1.103 -0.294 -0.278) 1.175 31.969 ( -1.103 0.294 -0.278) 1.175 32.024 ( 1.284 -0.698 -1.265) 1.933 32.024 ( 1.284 0.698 -1.265) 1.933 ======================= Grid point 137 (75/96) ======================= q-point: (-0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -0.749 -1.652 1.959) 2.669 1.486 ( -0.749 1.652 1.959) 2.669 1.619 ( 0.063 -0.505 0.071) 0.514 1.619 ( 0.063 0.505 0.071) 0.514 1.858 ( -8.340 -4.455 -1.032) 9.511 1.858 ( -8.340 4.455 -1.032) 9.511 2.066 ( 3.067 -3.991 0.744) 5.087 2.066 ( 3.067 3.991 0.744) 5.087 2.256 ( -4.008 -1.150 -0.259) 4.178 2.256 ( -4.008 1.150 -0.259) 4.178 2.406 ( -1.400 -5.694 -0.319) 5.872 2.406 ( -1.400 5.694 -0.319) 5.872 2.763 ( -5.432 -3.288 -3.630) 7.314 2.763 ( -5.433 3.288 -3.630) 7.314 2.953 ( 2.421 -4.443 0.285) 5.068 2.953 ( 2.421 4.443 0.285) 5.068 3.138 ( -8.078 -3.882 4.710) 10.125 3.138 ( -8.078 3.882 4.710) 10.125 3.441 ( 3.433 -5.779 2.572) 7.197 3.441 ( 3.433 5.779 2.572) 7.197 3.597 ( 2.044 -2.073 -2.767) 4.016 3.597 ( 2.044 2.073 -2.767) 4.016 4.003 ( -2.321 -2.768 2.375) 4.323 4.003 ( -2.321 2.768 2.375) 4.323 4.614 ( -1.675 -11.184 -3.737) 11.910 4.614 ( -1.675 11.184 -3.737) 11.910 4.891 ( -2.935 -4.276 -7.365) 9.008 4.891 ( -2.935 4.276 -7.365) 9.008 5.184 ( 5.671 -3.227 4.073) 7.692 5.184 ( 5.671 3.227 4.073) 7.692 5.407 ( 4.257 -6.525 0.334) 7.798 5.407 ( 4.257 6.525 0.334) 7.798 5.627 ( 3.887 -7.155 -0.210) 8.145 5.627 ( 3.887 7.155 -0.210) 8.145 5.836 ( -3.111 -4.977 -4.637) 7.480 5.836 ( -3.111 4.977 -4.637) 7.480 6.117 ( -4.484 -5.815 5.084) 8.931 6.117 ( -4.484 5.815 5.084) 8.931 6.435 ( 2.110 -6.676 -1.196) 7.103 6.435 ( 2.110 6.676 -1.196) 7.103 6.739 ( -10.059 -4.785 5.057) 12.234 6.739 ( -10.059 4.785 5.057) 12.234 7.130 ( 1.127 -2.966 1.565) 3.538 7.130 ( 1.127 2.966 1.565) 3.538 7.463 ( -13.258 -1.393 -2.073) 13.491 7.463 ( -13.258 1.393 -2.073) 13.491 8.218 ( 0.450 -2.851 2.211) 3.636 8.218 ( 0.450 2.851 2.211) 3.636 8.537 ( -10.884 -2.733 -2.918) 11.595 8.537 ( -10.884 2.733 -2.918) 11.595 8.858 ( -8.835 -1.733 -6.823) 11.297 8.858 ( -8.835 1.733 -6.823) 11.297 9.358 ( -8.487 -1.402 4.124) 9.539 9.358 ( -8.487 1.402 4.124) 9.539 9.799 ( 3.786 -0.690 0.594) 3.894 9.799 ( 3.786 0.690 0.594) 3.894 10.194 ( -22.750 -0.227 -0.871) 22.768 10.194 ( -22.750 0.227 -0.871) 22.768 10.678 ( -10.397 -1.106 1.715) 10.595 10.678 ( -10.397 1.106 1.715) 10.595 11.600 ( 18.349 -0.544 2.190) 18.488 11.600 ( 18.349 0.544 2.190) 18.488 11.709 ( 14.116 -2.599 5.464) 15.358 11.709 ( 14.116 2.599 5.464) 15.358 11.981 ( -2.560 -0.933 -0.182) 2.731 11.981 ( -2.560 0.933 -0.182) 2.731 12.105 ( 7.034 -0.609 -2.295) 7.424 12.105 ( 7.034 0.609 -2.295) 7.424 12.694 ( 17.399 -4.151 -1.371) 17.940 12.694 ( 17.399 4.151 -1.371) 17.940 12.853 ( 20.930 -2.153 -1.276) 21.079 12.853 ( 20.930 2.153 -1.276) 21.079 13.887 ( -12.562 -0.122 0.009) 12.562 13.887 ( -12.562 0.122 0.009) 12.562 14.496 ( 13.865 -0.317 -0.558) 13.880 14.496 ( 13.865 0.317 -0.558) 13.880 17.117 ( -26.972 -3.021 -3.071) 27.314 17.117 ( -26.972 3.021 -3.071) 27.314 18.075 ( 20.359 -0.545 -1.302) 20.408 18.075 ( 20.359 0.545 -1.302) 20.408 19.373 ( -35.924 -1.714 0.208) 35.966 19.373 ( -35.924 1.714 0.208) 35.966 20.683 ( 25.561 -1.738 0.196) 25.621 20.683 ( 25.561 1.738 0.196) 25.621 22.485 ( -8.609 -1.017 0.702) 8.697 22.485 ( -8.609 1.017 0.702) 8.697 22.857 ( 5.223 -1.137 0.966) 5.432 22.857 ( 5.223 1.137 0.966) 5.432 27.774 ( -2.201 -0.095 -0.074) 2.204 27.774 ( -2.201 0.095 -0.074) 2.204 27.985 ( 5.510 -0.435 0.033) 5.527 27.985 ( 5.510 0.435 0.033) 5.527 29.671 ( -12.169 -0.271 -1.396) 12.252 29.671 ( -12.169 0.271 -1.396) 12.252 30.064 ( -2.177 -1.410 -1.419) 2.957 30.064 ( -2.177 1.410 -1.419) 2.957 30.378 ( -16.421 -3.944 -2.395) 17.057 30.378 ( -16.421 3.944 -2.395) 17.057 30.883 ( -5.293 -2.157 -0.920) 5.789 30.883 ( -5.293 2.157 -0.920) 5.789 31.161 ( 4.592 -5.327 5.294) 8.803 31.161 ( 4.592 5.327 5.294) 8.803 31.488 ( 7.215 -0.705 0.802) 7.294 31.488 ( 7.215 0.705 0.802) 7.294 31.982 ( 5.163 -1.295 0.262) 5.330 31.982 ( 5.163 1.295 0.262) 5.330 32.183 ( 11.359 -4.708 -1.907) 12.443 32.183 ( 11.359 4.708 -1.907) 12.443 ======================= Grid point 139 (76/96) ======================= q-point: (-0.30 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -0.941 -1.269 1.404) 2.114 1.478 ( -0.941 1.269 1.404) 2.114 1.610 ( -1.385 -0.667 1.250) 1.981 1.610 ( -1.385 0.667 1.250) 1.981 1.738 ( -0.745 -4.791 -1.380) 5.042 1.738 ( -0.745 4.791 -1.380) 5.042 2.110 ( -3.543 -4.343 -3.027) 6.370 2.110 ( -3.543 4.343 -3.027) 6.370 2.123 ( -4.423 -2.538 0.167) 5.102 2.123 ( -4.423 2.538 0.167) 5.102 2.407 ( -0.036 -7.499 0.435) 7.512 2.407 ( -0.036 7.499 0.435) 7.512 2.602 ( -6.461 -3.673 -1.925) 7.677 2.602 ( -6.461 3.673 -1.925) 7.677 2.947 ( -5.669 -1.927 3.785) 7.084 2.947 ( -5.669 1.927 3.785) 7.084 3.077 ( 3.806 -4.441 -1.424) 6.019 3.077 ( 3.806 4.441 -1.424) 6.019 3.478 ( -2.463 -3.599 0.085) 4.362 3.478 ( -2.463 3.599 0.085) 4.362 3.630 ( 1.600 -2.758 1.708) 3.618 3.630 ( 1.600 2.758 1.708) 3.618 3.929 ( -5.029 -5.299 0.310) 7.312 3.929 ( -5.029 5.299 0.310) 7.312 4.546 ( -5.832 -7.286 -3.279) 9.892 4.546 ( -5.832 7.286 -3.279) 9.892 4.838 ( -1.128 -2.789 -4.153) 5.128 4.838 ( -1.128 2.789 -4.153) 5.128 5.241 ( -3.525 -0.773 -1.176) 3.795 5.241 ( -3.525 0.773 -1.176) 3.795 5.496 ( 0.942 -2.271 1.627) 2.949 5.496 ( 0.942 2.271 1.627) 2.949 5.579 ( -6.737 -7.479 -4.651) 11.088 5.579 ( -6.737 7.479 -4.651) 11.088 5.758 ( -0.262 -3.061 0.436) 3.103 5.758 ( -0.262 3.061 0.436) 3.103 6.034 ( -5.437 -9.237 3.821) 11.379 6.034 ( -5.437 9.237 3.821) 11.379 6.420 ( -3.496 -4.364 0.036) 5.592 6.420 ( -3.496 4.364 0.036) 5.592 6.615 ( -1.605 -7.626 5.955) 9.808 6.615 ( -1.605 7.626 5.955) 9.808 6.993 ( -14.210 -2.529 -0.542) 14.443 6.993 ( -14.210 2.529 -0.542) 14.443 7.296 ( 0.349 -2.641 0.054) 2.664 7.296 ( 0.349 2.641 0.054) 2.664 8.158 ( -10.237 -2.134 3.668) 11.082 8.158 ( -10.237 2.134 3.668) 11.082 8.303 ( -5.409 -2.070 -3.160) 6.598 8.303 ( -5.409 2.070 -3.160) 6.598 8.682 ( -7.992 -3.773 -6.234) 10.815 8.682 ( -7.992 3.773 -6.234) 10.815 9.178 ( -8.858 -1.527 6.308) 10.981 9.178 ( -8.858 1.527 6.308) 10.981 9.768 ( -5.164 -0.177 -2.036) 5.554 9.768 ( -5.164 0.177 -2.036) 5.554 9.976 ( -1.851 -0.822 1.165) 2.336 9.976 ( -1.851 0.822 1.165) 2.336 10.496 ( -5.450 -1.622 2.033) 6.039 10.496 ( -5.450 1.622 2.033) 6.039 11.508 ( -11.280 -0.031 0.942) 11.320 11.508 ( -11.280 0.031 0.942) 11.320 11.924 ( -0.721 -1.399 -2.408) 2.877 11.924 ( -0.721 1.399 -2.408) 2.877 12.140 ( 20.473 -4.197 2.778) 21.083 12.140 ( 20.473 4.197 2.778) 21.083 12.637 ( 29.711 -0.264 0.374) 29.714 12.637 ( 29.711 0.264 0.374) 29.714 13.035 ( 15.511 -5.133 -2.484) 16.526 13.035 ( 15.511 5.133 -2.484) 16.526 13.185 ( 6.169 -2.608 0.298) 6.704 13.185 ( 6.169 2.608 0.298) 6.704 13.830 ( 13.040 -0.138 -0.361) 13.045 13.830 ( 13.040 0.138 -0.361) 13.045 14.763 ( 12.063 -0.860 -0.676) 12.112 14.763 ( 12.063 0.860 -0.676) 12.112 16.508 ( -32.294 -4.379 -4.102) 32.846 16.508 ( -32.294 4.379 -4.102) 32.846 18.438 ( 2.051 -0.493 0.601) 2.193 18.438 ( 2.051 0.493 0.601) 2.193 18.692 ( -16.357 -1.570 -1.363) 16.489 18.692 ( -16.357 1.570 -1.363) 16.489 21.127 ( 17.646 -1.582 0.071) 17.716 21.127 ( 17.646 1.582 0.071) 17.716 22.341 ( -5.068 -2.179 1.382) 5.687 22.341 ( -5.068 2.179 1.382) 5.687 22.881 ( -3.764 -2.135 1.742) 4.665 22.881 ( -3.764 2.135 1.742) 4.665 27.740 ( -1.047 -0.062 -0.046) 1.050 27.740 ( -1.047 0.062 -0.046) 1.050 28.108 ( 6.215 -0.507 0.047) 6.236 28.108 ( 6.215 0.507 0.047) 6.236 29.385 ( -15.200 -0.134 -1.449) 15.270 29.385 ( -15.200 0.134 -1.449) 15.270 29.791 ( -23.642 -5.189 -2.399) 24.324 29.791 ( -23.642 5.189 -2.399) 24.324 30.145 ( -6.264 -1.321 -2.670) 6.936 30.145 ( -6.264 1.321 -2.670) 6.936 30.706 ( -9.785 -4.330 -1.882) 10.865 30.706 ( -9.785 4.330 -1.882) 10.865 31.281 ( 5.239 -7.572 6.496) 11.268 31.281 ( 5.239 7.572 6.496) 11.268 31.634 ( 7.098 -3.481 0.050) 7.906 31.634 ( 7.098 3.481 0.050) 7.906 32.188 ( 13.747 -2.389 2.371) 14.154 32.188 ( 13.747 2.389 2.371) 14.154 32.453 ( 15.059 -8.829 -3.453) 17.795 32.453 ( 15.059 8.829 -3.453) 17.795 ======================= Grid point 141 (77/96) ======================= q-point: (-0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -5.227 -6.529 5.260) 9.880 1.420 ( -5.227 6.529 5.260) 9.880 1.587 ( -0.657 -2.752 3.829) 4.761 1.587 ( -0.657 2.752 3.829) 4.761 1.799 ( 2.085 -6.491 -1.652) 7.015 1.799 ( 2.085 6.491 -1.652) 7.015 1.916 ( -6.423 -8.416 -0.175) 10.588 1.916 ( -6.423 8.416 -0.175) 10.588 2.110 ( -0.837 -0.495 -5.237) 5.327 2.110 ( -0.837 0.495 -5.237) 5.327 2.389 ( -0.571 -7.505 -3.944) 8.498 2.389 ( -0.571 7.505 -3.944) 8.498 2.565 ( 0.977 -5.980 4.549) 7.577 2.565 ( 0.977 5.980 4.549) 7.577 2.841 ( -4.007 -7.062 -2.507) 8.498 2.841 ( -4.007 7.062 -2.507) 8.498 3.166 ( 2.672 -2.409 -2.538) 4.403 3.166 ( 2.672 2.409 -2.538) 4.403 3.329 ( -10.274 -5.946 -0.068) 11.871 3.329 ( -10.274 5.946 -0.068) 11.871 3.592 ( -9.279 -3.239 5.038) 11.044 3.592 ( -9.279 3.239 5.038) 11.044 3.788 ( -7.668 -3.641 -4.648) 9.678 3.788 ( -7.668 3.641 -4.648) 9.678 4.333 ( -13.795 -1.698 -4.347) 14.563 4.333 ( -13.795 1.698 -4.347) 14.563 4.806 ( -3.396 -1.385 -2.911) 4.683 4.806 ( -3.396 1.385 -2.911) 4.683 5.044 ( -6.223 -2.452 2.258) 7.059 5.044 ( -6.223 2.452 2.258) 7.059 5.444 ( -1.832 -4.797 1.024) 5.236 5.444 ( -1.832 4.797 1.024) 5.236 5.598 ( 0.766 -6.751 -3.695) 7.734 5.598 ( 0.766 6.751 -3.695) 7.734 5.754 ( -1.762 -3.029 1.745) 3.914 5.754 ( -1.762 3.029 1.745) 3.914 5.865 ( -7.337 -4.786 -1.690) 8.922 5.865 ( -7.337 4.786 -1.690) 8.922 6.313 ( -8.786 -6.096 1.225) 10.764 6.313 ( -8.786 6.096 1.225) 10.764 6.585 ( 1.994 -4.098 10.436) 11.388 6.585 ( 1.994 4.098 10.436) 11.388 6.864 ( 0.793 -3.480 -2.270) 4.230 6.864 ( 0.793 3.480 -2.270) 4.230 7.360 ( 4.865 -5.584 1.450) 7.546 7.360 ( 4.865 5.584 1.450) 7.546 7.931 ( -9.308 -1.263 1.850) 9.574 7.931 ( -9.308 1.263 1.850) 9.574 8.235 ( -4.406 -0.970 -0.827) 4.587 8.235 ( -4.406 0.970 -0.827) 4.587 8.530 ( -6.081 -3.175 -5.792) 8.978 8.530 ( -6.081 3.175 -5.792) 8.978 9.039 ( -3.877 -3.364 5.655) 7.637 9.039 ( -3.877 3.364 5.655) 7.637 9.732 ( 1.223 -1.262 -1.241) 2.151 9.732 ( 1.223 1.262 -1.241) 2.151 9.884 ( -7.464 -0.837 4.209) 8.610 9.884 ( -7.464 0.837 4.209) 8.610 10.493 ( 3.714 -0.976 -0.000) 3.840 10.493 ( 3.714 0.976 -0.000) 3.840 11.325 ( -5.505 -0.378 0.864) 5.585 11.325 ( -5.505 0.378 0.864) 5.585 11.891 ( -2.146 -1.502 -3.773) 4.593 11.891 ( -2.146 1.502 -3.773) 4.593 12.536 ( 16.640 -3.812 2.144) 17.205 12.536 ( 16.640 3.812 2.144) 17.205 12.811 ( -11.607 -1.119 0.082) 11.661 12.811 ( -11.607 1.119 0.082) 11.661 13.354 ( 18.954 -5.386 -1.856) 19.791 13.354 ( 18.954 5.386 -1.856) 19.791 13.477 ( 21.794 -2.533 -1.093) 21.968 13.477 ( 21.794 2.533 -1.093) 21.968 14.278 ( 24.290 -0.927 -0.554) 24.314 14.278 ( 24.290 0.927 -0.554) 24.314 14.977 ( 8.235 -1.260 -0.902) 8.379 14.977 ( 8.235 1.260 -0.902) 8.379 15.826 ( -32.335 -3.753 -3.513) 32.741 15.826 ( -32.335 3.753 -3.513) 32.741 17.864 ( -32.791 -0.908 -0.739) 32.812 17.864 ( -32.791 0.908 -0.739) 32.812 19.043 ( 26.094 -0.893 0.020) 26.110 19.043 ( 26.094 0.893 0.020) 26.110 21.402 ( 9.294 -1.411 -0.157) 9.402 21.402 ( 9.294 1.411 -0.157) 9.402 22.288 ( -0.244 -4.247 2.575) 4.972 22.288 ( -0.244 4.247 2.575) 4.972 22.686 ( -15.242 -3.875 1.610) 15.809 22.686 ( -15.242 3.875 1.610) 15.809 27.729 ( -0.134 -0.030 0.001) 0.137 27.729 ( -0.134 0.030 0.001) 0.137 28.226 ( 5.025 -0.454 -0.014) 5.046 28.226 ( 5.025 0.454 -0.014) 5.046 29.054 ( -18.607 -1.282 -3.702) 19.015 29.054 ( -18.607 1.282 -3.702) 19.015 29.252 ( -25.073 -4.596 -0.543) 25.497 29.252 ( -25.073 4.596 -0.543) 25.497 30.026 ( -5.600 -1.210 -2.464) 6.236 30.026 ( -5.600 1.210 -2.464) 6.236 30.519 ( -8.019 -6.696 -2.720) 10.795 30.519 ( -8.019 6.696 -2.720) 10.795 31.364 ( 2.775 -8.801 5.888) 10.946 31.364 ( 2.775 8.801 5.888) 10.946 31.778 ( 6.700 -5.023 0.178) 8.376 31.778 ( 6.700 5.023 0.178) 8.376 32.469 ( 11.963 -4.949 3.392) 13.383 32.469 ( 11.963 4.949 3.392) 13.383 32.811 ( 20.051 -10.312 -4.111) 22.920 32.811 ( 20.051 10.312 -4.111) 22.920 ======================= Grid point 143 (78/96) ======================= q-point: (-0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -12.452 -12.877 8.405) 19.786 1.228 ( -12.452 12.877 8.405) 19.786 1.602 ( 1.108 -4.245 6.764) 8.062 1.602 ( 1.108 4.245 6.764) 8.062 1.745 ( -0.898 -2.471 0.564) 2.689 1.745 ( -0.898 2.471 0.564) 2.689 1.925 ( -0.350 -3.518 0.919) 3.653 1.925 ( -0.350 3.518 0.919) 3.653 2.099 ( -1.211 -2.001 -5.023) 5.541 2.099 ( -1.211 2.001 -5.023) 5.541 2.366 ( -2.490 -4.565 -6.673) 8.460 2.366 ( -2.490 4.565 -6.673) 8.460 2.573 ( -0.995 -13.342 7.380) 15.279 2.573 ( -0.995 13.342 7.380) 15.279 2.729 ( -10.584 -3.283 0.613) 11.098 2.729 ( -10.584 3.283 0.613) 11.098 3.017 ( -5.681 -3.889 -1.943) 7.153 3.017 ( -5.681 3.889 -1.943) 7.153 3.249 ( -10.479 -6.739 -5.394) 13.576 3.249 ( -10.479 6.739 -5.394) 13.576 3.325 ( -1.010 -11.718 -5.457) 12.966 3.325 ( -1.010 11.718 -5.457) 12.966 3.654 ( -4.825 -9.129 -6.593) 12.251 3.654 ( -4.825 9.129 -6.593) 12.251 4.166 ( -1.417 -3.019 -1.001) 3.482 4.166 ( -1.417 3.019 -1.001) 3.482 4.734 ( -3.233 -1.117 -1.245) 3.640 4.734 ( -3.233 1.117 -1.245) 3.640 5.013 ( 0.021 -3.159 4.430) 5.441 5.013 ( 0.021 3.159 4.430) 5.441 5.382 ( -3.744 -4.510 1.699) 6.103 5.382 ( -3.744 4.510 1.699) 6.103 5.556 ( -2.442 -3.512 -5.815) 7.219 5.556 ( -2.442 3.512 -5.815) 7.219 5.708 ( -1.020 -5.135 3.042) 6.055 5.708 ( -1.020 5.135 3.042) 6.055 5.832 ( 1.032 -3.980 -1.240) 4.295 5.832 ( 1.032 3.980 -1.240) 4.295 6.156 ( -5.156 -3.255 1.635) 6.313 6.156 ( -5.156 3.255 1.635) 6.313 6.681 ( 4.809 -7.701 9.363) 13.042 6.681 ( 4.809 7.701 9.363) 13.042 6.896 ( 1.631 -4.317 -1.654) 4.902 6.896 ( 1.631 4.317 -1.654) 4.902 7.466 ( 4.204 -5.072 2.820) 7.166 7.466 ( 4.204 5.072 2.820) 7.166 7.780 ( -5.973 -2.734 4.348) 7.878 7.780 ( -5.973 2.734 4.348) 7.878 8.116 ( -5.206 -3.110 -4.021) 7.277 8.116 ( -5.206 3.110 -4.021) 7.277 8.448 ( -2.426 -1.800 -3.606) 4.704 8.448 ( -2.426 1.800 -3.606) 4.704 9.038 ( 3.205 -5.618 4.669) 7.977 9.038 ( 3.205 5.618 4.669) 7.977 9.691 ( -6.343 -1.293 1.972) 6.768 9.691 ( -6.343 1.293 1.972) 6.768 9.810 ( 1.568 -0.249 2.933) 3.335 9.810 ( 1.568 0.249 2.933) 3.335 10.566 ( 2.289 -0.512 -0.897) 2.511 10.566 ( 2.289 0.512 -0.897) 2.511 11.302 ( 2.542 -0.256 0.601) 2.624 11.302 ( 2.542 0.256 0.601) 2.624 11.844 ( -1.807 -1.839 -3.178) 4.092 11.844 ( -1.807 1.839 -3.178) 4.092 12.529 ( -12.573 -0.850 -0.084) 12.602 12.529 ( -12.573 0.850 -0.084) 12.602 12.792 ( 8.012 -3.059 0.774) 8.611 12.792 ( 8.012 3.059 0.774) 8.611 13.660 ( 9.694 -8.174 -3.458) 13.143 13.660 ( 9.694 8.174 -3.458) 13.143 13.875 ( 14.286 -1.066 -0.916) 14.355 13.875 ( 14.286 1.066 -0.916) 14.355 14.682 ( 12.461 -1.064 -0.608) 12.521 14.682 ( 12.461 1.064 -0.608) 12.521 14.997 ( -7.938 -1.045 -1.126) 8.085 14.997 ( -7.938 1.045 -1.126) 8.085 15.389 ( -4.517 -0.851 -0.310) 4.607 15.389 ( -4.517 0.851 -0.310) 4.607 17.276 ( -22.797 -0.971 -1.222) 22.851 17.276 ( -22.797 0.971 -1.222) 22.851 19.596 ( 25.807 -1.808 0.723) 25.881 19.596 ( 25.807 1.808 0.723) 25.881 21.514 ( 1.966 -1.017 -0.319) 2.236 21.514 ( 1.966 1.017 -0.319) 2.236 22.274 ( -13.078 -4.907 1.389) 14.037 22.274 ( -13.078 4.907 1.389) 14.037 22.350 ( -3.804 -4.532 2.185) 6.308 22.350 ( -3.804 4.532 2.185) 6.308 27.731 ( 0.188 -0.070 0.065) 0.211 27.731 ( 0.188 0.070 0.065) 0.211 28.305 ( 2.509 -0.249 -0.086) 2.522 28.305 ( 2.509 0.249 -0.086) 2.522 28.566 ( -23.531 -2.332 -3.068) 23.844 28.566 ( -23.531 2.332 -3.068) 23.844 28.929 ( -8.611 -0.480 1.184) 8.705 28.929 ( -8.611 0.480 1.184) 8.705 29.925 ( -3.793 -1.605 -2.205) 4.672 29.925 ( -3.793 1.605 -2.205) 4.672 30.389 ( -4.410 -8.483 -3.207) 10.084 30.389 ( -4.410 8.483 -3.207) 10.084 31.401 ( 0.606 -9.109 5.793) 10.813 31.401 ( 0.606 9.109 5.793) 10.813 31.897 ( 4.779 -5.349 -0.356) 7.182 31.897 ( 4.779 5.349 -0.356) 7.182 32.652 ( 5.815 -4.265 2.515) 7.637 32.652 ( 5.815 4.265 2.515) 7.637 33.214 ( 17.079 -5.397 -4.632) 18.501 33.214 ( 17.079 5.397 -4.632) 18.501 ======================= Grid point 155 (79/96) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 1.699 0.000 -11.340) 11.466 1.345 ( -1.699 0.000 11.340) 11.466 1.726 ( 3.926 0.000 -3.282) 5.117 1.726 ( -3.926 0.000 3.282) 5.117 1.843 ( -12.725 0.000 -14.598) 19.365 1.843 ( 12.725 0.000 14.598) 19.365 1.916 ( 2.719 0.000 -8.649) 9.066 1.916 ( -2.719 0.000 8.649) 9.066 2.012 ( -5.903 0.000 -0.029) 5.903 2.012 ( 5.903 0.000 0.029) 5.903 2.160 ( 3.811 0.000 -17.897) 18.298 2.160 ( -3.811 0.000 17.897) 18.298 2.264 ( 6.280 0.000 -5.488) 8.340 2.264 ( -6.280 0.000 5.488) 8.340 2.726 ( 2.998 0.000 -4.124) 5.099 2.726 ( -2.998 0.000 4.124) 5.099 2.937 ( -0.890 0.000 -3.918) 4.018 2.937 ( 0.890 0.000 3.918) 4.018 2.987 ( -5.486 0.000 0.209) 5.490 2.987 ( 5.486 0.000 -0.209) 5.490 3.280 ( -0.129 0.000 -1.351) 1.357 3.280 ( 0.129 0.000 1.351) 1.357 3.742 ( 2.994 0.000 -1.580) 3.385 3.742 ( -2.994 0.000 1.580) 3.385 4.154 ( -5.488 0.000 -5.365) 7.674 4.154 ( 5.488 0.000 5.365) 7.674 4.647 ( 0.824 0.000 -1.513) 1.723 4.647 ( -0.824 0.000 1.513) 1.723 5.076 ( 4.576 0.000 -1.952) 4.975 5.076 ( -4.576 0.000 1.952) 4.975 5.308 ( 5.060 0.000 -6.377) 8.141 5.308 ( -5.060 0.000 6.377) 8.141 5.512 ( 1.378 0.000 -0.957) 1.678 5.512 ( -1.378 0.000 0.957) 1.678 5.654 ( -1.314 0.000 -0.381) 1.368 5.654 ( 1.314 0.000 0.381) 1.368 5.945 ( 0.833 0.000 -3.961) 4.047 5.945 ( -0.833 0.000 3.961) 4.047 6.213 ( 2.915 0.000 -1.425) 3.245 6.213 ( -2.915 0.000 1.425) 3.245 6.449 ( -2.696 0.000 -3.131) 4.132 6.449 ( 2.696 0.000 3.131) 4.132 7.097 ( -1.425 0.000 -1.039) 1.764 7.097 ( 1.425 0.000 1.039) 1.764 7.641 ( -3.616 0.000 -2.840) 4.598 7.641 ( 3.616 0.000 2.840) 4.598 7.772 ( -3.239 0.000 -1.981) 3.797 7.772 ( 3.239 0.000 1.981) 3.797 8.058 ( 1.974 0.000 -8.293) 8.524 8.058 ( -1.974 0.000 8.293) 8.524 8.450 ( -2.622 0.000 -0.037) 2.622 8.450 ( 2.622 0.000 0.037) 2.622 8.964 ( -1.467 0.000 -4.643) 4.870 8.964 ( 1.467 0.000 4.643) 4.870 9.662 ( 1.394 0.000 -0.959) 1.692 9.662 ( -1.394 0.000 0.959) 1.692 9.858 ( -0.550 0.000 -1.766) 1.850 9.858 ( 0.550 0.000 1.766) 1.850 10.571 ( 1.059 0.000 -0.435) 1.145 10.571 ( -1.059 0.000 0.435) 1.145 11.363 ( -0.892 0.000 0.189) 0.912 11.363 ( 0.892 0.000 -0.189) 0.912 11.766 ( 0.508 0.000 -1.548) 1.629 11.766 ( -0.508 0.000 1.548) 1.629 12.405 ( -2.323 0.000 -0.407) 2.359 12.405 ( 2.323 0.000 0.407) 2.359 12.903 ( 2.181 0.000 -3.868) 4.441 12.903 ( -2.181 0.000 3.868) 4.441 13.763 ( -10.221 0.000 -2.893) 10.623 13.763 ( 10.221 0.000 2.893) 10.623 14.002 ( 0.361 0.000 -0.357) 0.508 14.002 ( -0.361 0.000 0.357) 0.508 14.740 ( 0.910 0.000 -0.532) 1.054 14.740 ( -0.910 0.000 0.532) 1.054 14.934 ( -0.100 0.000 -0.681) 0.689 14.934 ( 0.100 0.000 0.681) 0.689 15.392 ( -0.272 0.000 -0.830) 0.873 15.392 ( 0.272 0.000 0.830) 0.873 17.031 ( 2.682 0.000 -2.477) 3.651 17.031 ( -2.682 0.000 2.477) 3.651 19.933 ( -0.682 0.000 -2.946) 3.024 19.933 ( 0.682 0.000 2.946) 3.024 21.517 ( -0.748 0.000 -0.383) 0.840 21.517 ( 0.748 0.000 0.383) 0.840 21.974 ( 1.382 0.000 -3.740) 3.987 21.974 ( -1.382 0.000 3.740) 3.987 22.428 ( 2.048 0.000 -1.297) 2.425 22.428 ( -2.048 0.000 1.297) 2.425 27.733 ( 0.056 0.000 -0.163) 0.172 27.733 ( -0.056 0.000 0.163) 0.172 28.291 ( -0.742 0.000 0.166) 0.760 28.291 ( 0.742 0.000 -0.166) 0.760 28.327 ( -0.065 0.000 -0.052) 0.083 28.327 ( 0.065 0.000 0.052) 0.083 28.848 ( 0.405 0.000 -0.208) 0.456 28.848 ( -0.405 0.000 0.208) 0.456 29.857 ( -0.244 0.000 -1.546) 1.565 29.857 ( 0.244 0.000 1.546) 1.565 30.303 ( -1.392 0.000 -10.141) 10.236 30.303 ( 1.392 0.000 10.141) 10.236 31.396 ( 0.818 0.000 -7.889) 7.931 31.396 ( -0.818 0.000 7.889) 7.931 32.279 ( -2.477 0.000 -7.261) 7.672 32.279 ( 2.477 0.000 7.261) 7.672 32.519 ( 1.459 0.000 -4.411) 4.646 32.519 ( -1.459 0.000 4.411) 4.646 33.304 ( -1.444 0.000 -2.059) 2.515 33.304 ( 1.444 0.000 2.059) 2.515 ======================= Grid point 157 (80/96) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( -0.776 0.000 2.276) 2.405 1.408 ( 4.550 0.000 -3.145) 5.531 1.643 ( -3.268 0.000 8.433) 9.044 1.675 ( -4.893 0.000 -13.382) 14.249 1.730 ( -1.120 0.000 -2.540) 2.776 1.793 ( -8.291 0.000 11.056) 13.820 1.905 ( -5.317 0.000 1.948) 5.663 2.001 ( 4.929 0.000 -10.059) 11.202 2.012 ( 3.507 0.000 3.342) 4.844 2.122 ( -2.970 0.000 6.621) 7.256 2.154 ( 4.266 0.000 -0.106) 4.268 2.324 ( 5.973 0.000 3.746) 7.050 2.327 ( 16.268 0.000 11.810) 20.103 2.418 ( 8.727 0.000 -6.519) 10.893 2.902 ( 2.033 0.000 -2.594) 3.296 2.933 ( 16.484 0.000 2.864) 16.731 2.982 ( 1.617 0.000 4.644) 4.917 3.000 ( 14.818 0.000 -3.781) 15.292 3.030 ( 14.093 0.000 -13.474) 19.498 3.207 ( 11.285 0.000 5.316) 12.475 3.324 ( 8.451 0.000 -9.153) 12.458 3.331 ( 6.721 0.000 -0.344) 6.730 3.666 ( -2.306 0.000 4.150) 4.748 3.770 ( 0.879 0.000 -0.769) 1.168 4.071 ( -1.150 0.000 -4.932) 5.064 4.242 ( 2.406 0.000 1.142) 2.663 4.668 ( 4.136 0.000 0.300) 4.147 4.669 ( 0.930 0.000 -0.417) 1.019 5.006 ( -2.685 0.000 0.766) 2.793 5.110 ( -3.464 0.000 3.351) 4.820 5.324 ( 8.539 0.000 2.077) 8.788 5.367 ( -0.466 0.000 -0.771) 0.901 5.552 ( 5.362 0.000 0.797) 5.421 5.570 ( 4.903 0.000 4.122) 6.405 5.635 ( 0.935 0.000 -0.772) 1.213 5.663 ( -0.065 0.000 -3.251) 3.252 5.909 ( -3.523 0.000 6.589) 7.472 5.975 ( 2.463 0.000 -5.734) 6.241 6.185 ( 0.557 0.000 0.953) 1.104 6.248 ( 0.531 0.000 -1.174) 1.288 6.472 ( 5.909 0.000 -1.363) 6.064 6.512 ( 2.193 0.000 1.814) 2.846 6.995 ( -6.888 0.000 -0.406) 6.900 7.023 ( -7.901 0.000 -2.695) 8.348 7.592 ( -3.082 0.000 0.447) 3.115 7.661 ( -5.452 0.000 -4.983) 7.386 7.779 ( 6.122 0.000 5.109) 7.974 7.825 ( 1.410 0.000 0.865) 1.654 8.027 ( 1.488 0.000 7.830) 7.970 8.107 ( 5.366 0.000 -7.198) 8.978 8.410 ( -0.749 0.000 -0.592) 0.954 8.483 ( 0.279 0.000 1.470) 1.496 8.975 ( 3.256 0.000 -6.654) 7.408 9.025 ( 4.391 0.000 1.944) 4.802 9.684 ( 1.333 0.000 0.852) 1.582 9.747 ( 3.638 0.000 1.948) 4.127 9.853 ( 1.904 0.000 -0.612) 2.000 9.857 ( 1.660 0.000 -1.945) 2.557 10.526 ( -3.615 0.000 1.352) 3.859 10.568 ( -1.678 0.000 0.284) 1.701 11.313 ( -2.139 0.000 -0.899) 2.320 11.347 ( -0.765 0.000 -1.229) 1.447 11.757 ( 0.259 0.000 3.641) 3.651 11.774 ( 0.468 0.000 -0.595) 0.757 12.514 ( 11.418 0.000 -0.947) 11.457 12.583 ( 12.926 0.000 -1.298) 12.991 12.828 ( -5.449 0.000 3.478) 6.464 12.876 ( -6.109 0.000 -7.104) 9.369 13.499 ( -14.140 0.000 -1.471) 14.216 13.792 ( -9.506 0.000 3.449) 10.113 13.847 ( -14.107 0.000 1.833) 14.226 13.851 ( -14.936 0.000 0.010) 14.936 14.673 ( -12.673 0.000 -0.757) 12.695 14.700 ( -12.960 0.000 0.819) 12.985 14.974 ( 7.859 0.000 0.002) 7.859 15.000 ( 8.987 0.000 0.744) 9.018 15.370 ( 2.059 0.000 0.855) 2.230 15.379 ( 5.988 0.000 -0.964) 6.065 17.247 ( 22.137 0.000 1.191) 22.169 17.325 ( 23.731 0.000 -4.797) 24.211 19.601 ( -26.213 0.000 -2.070) 26.295 19.620 ( -26.096 0.000 1.284) 26.127 21.505 ( -2.310 0.000 -0.772) 2.435 21.530 ( -1.633 0.000 0.678) 1.768 22.106 ( 9.006 0.000 1.524) 9.134 22.142 ( 9.952 0.000 -1.001) 10.002 22.466 ( 7.791 0.000 3.720) 8.633 22.540 ( 10.368 0.000 -3.817) 11.048 27.729 ( -0.274 0.000 0.186) 0.331 27.731 ( -0.146 0.000 -0.094) 0.174 28.298 ( -2.684 0.000 0.069) 2.685 28.301 ( -2.562 0.000 0.523) 2.615 28.523 ( 21.412 0.000 2.642) 21.575 28.545 ( 21.795 0.000 -2.476) 21.935 28.931 ( 8.664 0.000 -0.438) 8.675 28.944 ( 8.955 0.000 -0.070) 8.955 29.890 ( 3.371 0.000 -1.264) 3.600 29.901 ( 3.841 0.000 1.424) 4.097 30.319 ( 3.315 0.000 -8.570) 9.189 30.379 ( 5.589 0.000 9.455) 10.983 31.376 ( -1.211 0.000 8.111) 8.201 31.398 ( -0.415 0.000 -7.609) 7.620 32.166 ( -7.976 0.000 -5.738) 9.825 32.268 ( -3.597 0.000 6.783) 7.678 32.430 ( -7.624 0.000 4.888) 9.056 32.489 ( -4.192 0.000 -4.979) 6.509 33.111 ( -15.886 0.000 -5.181) 16.709 33.170 ( -13.451 0.000 3.899) 14.005 ======================= Grid point 158 (81/96) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 8.691 0.000 -9.166) 12.631 1.448 ( -1.948 0.000 12.062) 12.218 1.608 ( -1.249 0.000 -2.921) 3.177 1.626 ( 2.802 0.000 5.106) 5.825 1.684 ( -2.227 0.000 -1.324) 2.591 1.713 ( -1.317 0.000 -2.763) 3.061 1.769 ( -6.121 0.000 0.074) 6.122 2.028 ( 0.441 0.000 -1.128) 1.211 2.090 ( 3.175 0.000 0.270) 3.187 2.196 ( 5.441 0.000 -4.650) 7.158 2.205 ( 2.853 0.000 -0.260) 2.865 2.486 ( 11.908 0.000 13.489) 17.993 2.549 ( 6.500 0.000 -1.821) 6.750 2.629 ( 8.691 0.000 -2.617) 9.077 2.909 ( -6.150 0.000 0.596) 6.179 2.927 ( -1.032 0.000 -3.214) 3.376 3.045 ( 0.750 0.000 -7.497) 7.534 3.113 ( 3.778 0.000 -5.047) 6.305 3.353 ( 5.601 0.000 -4.535) 7.207 3.489 ( 6.308 0.000 -3.529) 7.228 3.586 ( 13.269 0.000 2.545) 13.511 3.597 ( 10.223 0.000 6.054) 11.881 3.842 ( 5.668 0.000 -3.736) 6.789 3.853 ( 19.809 0.000 1.675) 19.880 4.152 ( 12.599 0.000 5.729) 13.840 4.304 ( 7.578 0.000 3.136) 8.201 4.663 ( -1.983 0.000 1.307) 2.375 4.848 ( 11.626 0.000 -3.277) 12.079 4.930 ( -4.872 0.000 -0.694) 4.921 5.015 ( -3.941 0.000 4.368) 5.883 5.332 ( -1.693 0.000 0.228) 1.708 5.447 ( 1.151 0.000 -0.550) 1.276 5.644 ( 2.157 0.000 3.198) 3.858 5.656 ( 0.704 0.000 -0.182) 0.727 5.748 ( 9.972 0.000 -0.236) 9.975 5.804 ( -0.583 0.000 8.995) 9.014 5.909 ( 23.034 0.000 5.104) 23.593 5.998 ( -1.118 0.000 -8.196) 8.272 6.209 ( 1.334 0.000 -0.598) 1.462 6.339 ( 9.527 0.000 -1.435) 9.634 6.503 ( -3.556 0.000 0.345) 3.573 6.646 ( 10.031 0.000 0.882) 10.070 6.853 ( -5.859 0.000 -6.363) 8.650 6.888 ( -2.132 0.000 -0.465) 2.183 7.454 ( -9.440 0.000 2.301) 9.717 7.508 ( -8.432 0.000 -3.736) 9.223 7.899 ( 7.633 0.000 0.159) 7.634 7.925 ( 8.858 0.000 0.699) 8.886 8.150 ( 8.362 0.000 6.779) 10.765 8.288 ( 9.076 0.000 -4.212) 10.005 8.417 ( 1.399 0.000 -2.923) 3.240 8.485 ( 1.809 0.000 2.558) 3.133 9.098 ( 8.620 0.000 -6.804) 10.981 9.147 ( 7.473 0.000 -0.224) 7.477 9.679 ( -0.294 0.000 1.058) 1.098 9.719 ( -2.625 0.000 2.539) 3.652 9.947 ( 5.178 0.000 -0.093) 5.179 9.978 ( 5.675 0.000 -3.665) 6.756 10.440 ( -3.543 0.000 2.584) 4.385 10.517 ( -1.726 0.000 1.389) 2.216 11.346 ( 6.055 0.000 -1.861) 6.335 11.391 ( 5.602 0.000 -2.217) 6.025 11.783 ( 0.329 0.000 1.145) 1.191 11.790 ( 2.450 0.000 5.231) 5.776 12.608 ( -15.604 0.000 -7.344) 17.246 12.616 ( -13.014 0.000 1.926) 13.156 12.800 ( 9.890 0.000 -1.463) 9.998 12.882 ( 9.974 0.000 -0.856) 10.011 13.200 ( -14.776 0.000 -1.233) 14.827 13.418 ( -22.702 0.000 0.869) 22.718 13.428 ( -24.234 0.000 0.270) 24.236 13.504 ( -18.311 0.000 2.758) 18.517 14.269 ( -24.153 0.000 -0.953) 24.172 14.289 ( -24.777 0.000 0.592) 24.784 14.965 ( -8.727 0.000 1.304) 8.824 14.971 ( -7.994 0.000 -1.324) 8.103 15.736 ( 30.537 0.000 -0.088) 30.537 15.855 ( 32.897 0.000 1.758) 32.944 17.842 ( 34.003 0.000 0.985) 34.017 17.911 ( 32.315 0.000 -5.605) 32.797 19.037 ( -26.650 0.000 -0.863) 26.664 19.050 ( -27.278 0.000 0.446) 27.282 21.388 ( -9.425 0.000 -0.978) 9.476 21.420 ( -9.297 0.000 0.918) 9.343 22.213 ( 3.420 0.000 -1.064) 3.582 22.266 ( 3.578 0.000 0.643) 3.636 22.721 ( 12.675 0.000 5.655) 13.879 22.808 ( 12.427 0.000 -4.712) 13.290 27.726 ( 0.035 0.000 0.198) 0.201 27.730 ( 0.151 0.000 -0.037) 0.156 28.219 ( -4.974 0.000 -0.033) 4.974 28.224 ( -4.898 0.000 0.757) 4.956 29.017 ( 19.870 0.000 -2.107) 19.981 29.022 ( 22.475 0.000 2.216) 22.584 29.236 ( 21.061 0.000 3.817) 21.405 29.243 ( 23.374 0.000 -4.441) 23.792 29.983 ( 5.306 0.000 -0.818) 5.368 30.004 ( 5.871 0.000 1.339) 6.022 30.431 ( 7.718 0.000 -5.216) 9.315 30.528 ( 8.356 0.000 7.063) 10.941 31.361 ( -0.292 0.000 8.100) 8.105 31.372 ( -1.931 0.000 -7.191) 7.446 31.970 ( -10.498 0.000 -3.571) 11.089 32.142 ( -9.816 0.000 4.054) 10.620 32.206 ( -13.143 0.000 5.047) 14.079 32.342 ( -9.924 0.000 -5.987) 11.590 32.738 ( -18.231 0.000 -8.011) 19.913 32.832 ( -17.894 0.000 7.235) 19.301 ======================= Grid point 159 (82/96) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 1.514 0.000 1.731) 2.300 1.561 ( 3.027 0.000 -4.998) 5.843 1.639 ( -1.253 0.000 -0.001) 1.253 1.653 ( -0.981 0.000 -1.050) 1.437 1.699 ( -0.962 0.000 -2.283) 2.478 1.728 ( 14.721 0.000 -1.057) 14.759 1.746 ( 6.952 0.000 5.366) 8.782 2.087 ( 5.238 0.000 -0.909) 5.316 2.118 ( 0.108 0.000 -0.610) 0.619 2.269 ( 2.544 0.000 -3.008) 3.939 2.294 ( 3.877 0.000 -3.309) 5.097 2.640 ( -1.582 0.000 1.598) 2.249 2.651 ( 1.119 0.000 -2.357) 2.609 2.761 ( -2.901 0.000 -0.586) 2.960 2.788 ( 9.731 0.000 10.400) 14.242 2.989 ( 7.146 0.000 -3.894) 8.138 3.111 ( 4.123 0.000 -8.301) 9.269 3.163 ( 3.387 0.000 -6.663) 7.475 3.407 ( 1.372 0.000 0.191) 1.385 3.553 ( 0.241 0.000 -1.081) 1.107 3.580 ( -8.204 0.000 1.115) 8.279 3.715 ( -1.521 0.000 -0.620) 1.642 3.938 ( 6.518 0.000 -3.900) 7.596 4.086 ( 3.786 0.000 -4.053) 5.546 4.436 ( 7.369 0.000 2.695) 7.847 4.551 ( 3.758 0.000 11.346) 11.952 4.653 ( 7.504 0.000 2.812) 8.013 4.847 ( -2.152 0.000 4.363) 4.865 4.871 ( -4.026 0.000 6.719) 7.833 5.160 ( 10.305 0.000 0.129) 10.306 5.351 ( 4.472 0.000 0.201) 4.477 5.438 ( 0.061 0.000 1.884) 1.885 5.620 ( -3.891 0.000 3.302) 5.104 5.652 ( -0.686 0.000 4.641) 4.691 5.863 ( 6.870 0.000 5.277) 8.663 5.912 ( -0.337 0.000 -11.776) 11.780 6.009 ( 7.944 0.000 1.873) 8.162 6.180 ( -0.426 0.000 4.679) 4.698 6.391 ( -2.469 0.000 0.383) 2.499 6.483 ( 2.051 0.000 -7.157) 7.445 6.561 ( 25.696 0.000 -2.097) 25.781 6.812 ( 6.216 0.000 -0.369) 6.227 6.911 ( 7.789 0.000 0.635) 7.815 6.931 ( 7.509 0.000 -2.260) 7.842 7.309 ( -0.555 0.000 -1.043) 1.181 7.345 ( -6.428 0.000 -1.396) 6.578 8.132 ( 13.116 0.000 2.925) 13.439 8.172 ( 15.071 0.000 -0.730) 15.089 8.316 ( 6.765 0.000 1.223) 6.874 8.321 ( -3.502 0.000 -0.693) 3.570 8.488 ( 7.165 0.000 -3.497) 7.973 8.645 ( 10.531 0.000 -1.243) 10.604 9.286 ( 8.812 0.000 -4.987) 10.125 9.309 ( 7.476 0.000 -0.466) 7.491 9.741 ( 6.013 0.000 0.635) 6.047 9.746 ( 8.228 0.000 0.281) 8.233 9.988 ( -1.047 0.000 0.487) 1.155 10.006 ( -1.305 0.000 -0.960) 1.620 10.456 ( 5.853 0.000 3.077) 6.613 10.572 ( 7.159 0.000 0.904) 7.216 11.538 ( 11.531 0.000 -1.439) 11.621 11.561 ( 10.197 0.000 -2.329) 10.460 11.795 ( 1.230 0.000 2.672) 2.941 11.845 ( 2.294 0.000 5.314) 5.788 12.215 ( -19.782 0.000 -7.811) 21.269 12.269 ( -19.964 0.000 0.989) 19.989 12.633 ( -29.493 0.000 0.406) 29.496 12.639 ( -30.741 0.000 0.582) 30.747 12.892 ( -15.011 0.000 -0.544) 15.021 13.110 ( -17.450 0.000 1.316) 17.499 13.150 ( -5.243 0.000 -1.762) 5.531 13.243 ( -4.759 0.000 0.254) 4.766 13.825 ( -12.794 0.000 -0.376) 12.800 13.827 ( -13.176 0.000 -0.082) 13.176 14.748 ( -12.067 0.000 1.118) 12.119 14.755 ( -12.175 0.000 -0.876) 12.207 16.417 ( 33.647 0.000 -1.834) 33.697 16.532 ( 31.655 0.000 2.236) 31.734 18.452 ( -8.025 0.000 -1.280) 8.127 18.458 ( -4.967 0.000 -0.219) 4.972 18.660 ( 19.206 0.000 2.034) 19.313 18.696 ( 21.320 0.000 -3.994) 21.691 21.112 ( -17.605 0.000 -1.117) 17.640 21.145 ( -17.783 0.000 1.078) 17.816 22.308 ( 6.472 0.000 -0.112) 6.473 22.348 ( 5.175 0.000 0.375) 5.188 22.887 ( 2.842 0.000 4.033) 4.934 22.959 ( 2.051 0.000 -3.505) 4.061 27.735 ( 0.995 0.000 0.161) 1.008 27.742 ( 1.064 0.000 -0.001) 1.064 28.103 ( -6.121 0.000 -0.192) 6.124 28.109 ( -6.071 0.000 0.647) 6.105 29.365 ( 15.648 0.000 -0.679) 15.662 29.393 ( 15.709 0.000 -1.061) 15.745 29.739 ( 23.250 0.000 7.199) 24.339 29.771 ( 24.781 0.000 -6.134) 25.529 30.088 ( 4.915 0.000 -0.327) 4.926 30.130 ( 6.737 0.000 1.506) 6.903 30.625 ( 11.071 0.000 -1.853) 11.225 30.714 ( 9.232 0.000 4.519) 10.279 31.308 ( -4.341 0.000 -6.519) 7.832 31.370 ( 0.406 0.000 7.443) 7.454 31.754 ( -10.159 0.000 -2.226) 10.400 31.809 ( -18.905 0.000 -0.666) 18.917 32.008 ( -7.970 0.000 4.462) 9.134 32.106 ( -11.535 0.000 -4.760) 12.478 32.405 ( -14.179 0.000 -5.949) 15.376 32.492 ( -15.298 0.000 6.685) 16.695 ======================= Grid point 160 (83/96) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 3.397 0.000 -2.365) 4.139 1.587 ( -0.669 0.000 -2.050) 2.157 1.619 ( -0.534 0.000 0.721) 0.897 1.636 ( -0.418 0.000 -0.551) 0.692 1.720 ( 5.373 0.000 -0.247) 5.379 1.917 ( 8.109 0.000 1.440) 8.236 2.078 ( 13.490 0.000 2.568) 13.732 2.088 ( -3.286 0.000 0.301) 3.300 2.189 ( 2.237 0.000 -2.411) 3.289 2.303 ( -1.775 0.000 -6.635) 6.868 2.353 ( 8.582 0.000 -2.072) 8.829 2.599 ( -0.872 0.000 0.922) 1.269 2.675 ( -0.824 0.000 2.659) 2.784 2.719 ( 3.830 0.000 4.802) 6.142 2.953 ( 2.449 0.000 1.162) 2.711 3.060 ( -3.227 0.000 0.255) 3.237 3.220 ( 6.304 0.000 -9.147) 11.109 3.255 ( 2.887 0.000 -7.282) 7.834 3.393 ( -5.501 0.000 -0.970) 5.586 3.424 ( 0.997 0.000 1.443) 1.754 3.531 ( -1.681 0.000 -1.037) 1.975 3.624 ( -4.643 0.000 -2.405) 5.229 4.040 ( -5.209 0.000 1.800) 5.512 4.052 ( 1.724 0.000 2.043) 2.673 4.484 ( 1.659 0.000 -9.179) 9.327 4.598 ( 1.109 0.000 6.756) 6.846 4.723 ( 0.328 0.000 4.234) 4.247 4.807 ( -2.634 0.000 7.274) 7.736 4.909 ( 6.612 0.000 7.373) 9.903 5.206 ( -4.528 0.000 -4.406) 6.318 5.459 ( 3.395 0.000 1.629) 3.766 5.501 ( 0.858 0.000 1.081) 1.380 5.612 ( 7.507 0.000 9.681) 12.251 5.679 ( 4.717 0.000 6.307) 7.875 5.879 ( -0.643 0.000 -9.672) 9.693 5.917 ( -1.593 0.000 3.504) 3.849 6.075 ( -4.822 0.000 -5.827) 7.563 6.083 ( -8.754 0.000 0.516) 8.770 6.489 ( 10.364 0.000 5.096) 11.550 6.549 ( 6.823 0.000 -2.375) 7.225 6.819 ( 2.997 0.000 -4.134) 5.106 6.881 ( -3.172 0.000 -0.779) 3.266 6.954 ( 2.766 0.000 -0.059) 2.767 7.086 ( -2.073 0.000 -1.443) 2.526 7.426 ( 16.820 0.000 0.075) 16.820 7.492 ( 12.531 0.000 -0.995) 12.571 8.227 ( -4.467 0.000 -1.675) 4.770 8.258 ( -1.309 0.000 1.299) 1.845 8.476 ( 11.815 0.000 1.799) 11.951 8.477 ( 8.436 0.000 -1.655) 8.597 8.719 ( 12.784 0.000 -1.364) 12.856 8.819 ( 6.139 0.000 -2.423) 6.600 9.434 ( 5.993 0.000 -2.595) 6.530 9.437 ( 5.313 0.000 1.049) 5.416 9.822 ( -2.050 0.000 -0.519) 2.115 9.838 ( -3.512 0.000 -0.136) 3.514 10.180 ( 25.010 0.000 -0.444) 25.014 10.182 ( 23.066 0.000 0.413) 23.069 10.642 ( 10.731 0.000 3.486) 11.283 10.755 ( 9.011 0.000 0.085) 9.011 11.627 ( -19.037 0.000 -2.032) 19.145 11.649 ( -21.750 0.000 -1.554) 21.805 11.715 ( -7.692 0.000 2.120) 7.979 11.831 ( -10.464 0.000 1.819) 10.621 11.886 ( 2.408 0.000 3.325) 4.106 12.034 ( 5.449 0.000 -2.308) 5.918 12.085 ( -9.105 0.000 -1.398) 9.211 12.106 ( -9.326 0.000 -1.769) 9.492 12.582 ( -15.388 0.000 -0.179) 15.389 12.738 ( -18.955 0.000 2.548) 19.126 12.817 ( -21.495 0.000 -2.391) 21.628 12.887 ( -22.666 0.000 0.439) 22.670 13.883 ( 12.614 0.000 -0.063) 12.614 13.898 ( 12.902 0.000 -0.909) 12.934 14.480 ( -13.996 0.000 0.704) 14.014 14.487 ( -13.860 0.000 -0.154) 13.861 17.060 ( 28.863 0.000 -2.216) 28.948 17.127 ( 26.398 0.000 1.433) 26.437 18.054 ( -21.574 0.000 1.091) 21.601 18.058 ( -20.763 0.000 -0.354) 20.766 19.373 ( 36.252 0.000 1.481) 36.282 19.390 ( 35.858 0.000 -3.610) 36.040 20.669 ( -25.502 0.000 -1.274) 25.534 20.695 ( -26.013 0.000 1.549) 26.059 22.480 ( 10.049 0.000 0.993) 10.098 22.488 ( 8.417 0.000 -0.073) 8.417 22.851 ( -5.769 0.000 2.385) 6.243 22.901 ( -6.869 0.000 -2.654) 7.364 27.768 ( 2.231 0.000 0.102) 2.233 27.776 ( 2.198 0.000 0.011) 2.198 27.980 ( -5.432 0.000 -0.263) 5.438 27.988 ( -5.483 0.000 0.404) 5.498 29.655 ( 12.166 0.000 -0.894) 12.199 29.678 ( 11.652 0.000 -1.089) 11.703 30.021 ( 3.268 0.000 3.769) 4.989 30.056 ( 1.341 0.000 -1.293) 1.863 30.311 ( 18.296 0.000 -2.593) 18.478 30.366 ( 16.287 0.000 3.492) 16.657 30.851 ( 9.175 0.000 -0.944) 9.224 30.874 ( 4.515 0.000 2.697) 5.259 31.184 ( -6.390 0.000 -4.886) 8.044 31.322 ( -6.814 0.000 5.273) 8.616 31.496 ( -9.192 0.000 -1.013) 9.248 31.559 ( -8.781 0.000 -2.233) 9.061 31.900 ( -1.186 0.000 2.468) 2.738 31.939 ( -3.435 0.000 -2.057) 4.004 32.147 ( -10.878 0.000 -3.168) 11.330 32.207 ( -12.746 0.000 3.535) 13.227 ======================= Grid point 161 (84/96) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( -2.389 0.000 0.315) 2.409 1.553 ( 2.389 0.000 -0.315) 2.409 1.621 ( -0.625 0.000 -1.124) 1.286 1.621 ( 0.625 0.000 1.124) 1.286 1.890 ( -8.992 0.000 -1.691) 9.149 1.890 ( 8.992 0.000 1.691) 9.149 2.124 ( -5.195 0.000 -1.210) 5.334 2.124 ( 5.195 0.000 1.210) 5.334 2.255 ( -3.354 0.000 -5.574) 6.505 2.255 ( 3.354 0.000 5.574) 6.505 2.544 ( -5.821 0.000 0.301) 5.828 2.544 ( 5.821 0.000 -0.301) 5.828 2.760 ( -5.234 0.000 1.106) 5.350 2.760 ( 5.234 0.000 -1.106) 5.349 2.931 ( 0.426 0.000 -5.599) 5.615 2.931 ( -0.426 0.000 5.599) 5.615 3.278 ( -1.052 0.000 -5.626) 5.723 3.278 ( 1.052 0.000 5.626) 5.724 3.400 ( -3.811 0.000 -1.442) 4.075 3.400 ( 3.811 0.000 1.442) 4.075 3.553 ( -3.243 0.000 -1.093) 3.422 3.553 ( 3.243 0.000 1.093) 3.422 4.009 ( 2.797 0.000 -1.025) 2.979 4.009 ( -2.797 0.000 1.025) 2.979 4.552 ( 4.181 0.000 -10.962) 11.732 4.552 ( -4.181 0.000 10.962) 11.732 4.764 ( 2.126 0.000 -1.619) 2.672 4.764 ( -2.126 0.000 1.619) 2.672 5.064 ( -7.928 0.000 -6.307) 10.131 5.064 ( 7.928 0.000 6.307) 10.131 5.488 ( -0.629 0.000 -0.969) 1.156 5.488 ( 0.629 0.000 0.969) 1.156 5.800 ( 0.470 0.000 -1.530) 1.601 5.800 ( -0.470 0.000 1.530) 1.601 5.876 ( -1.383 0.000 -11.104) 11.190 5.876 ( 1.383 0.000 11.104) 11.190 5.927 ( 1.096 0.000 -2.576) 2.799 5.927 ( -1.096 0.000 2.576) 2.799 6.649 ( -1.792 0.000 -3.426) 3.866 6.649 ( 1.792 0.000 3.426) 3.866 6.817 ( -0.214 0.000 -2.808) 2.817 6.817 ( 0.214 0.000 2.808) 2.817 7.014 ( 2.953 0.000 -1.463) 3.296 7.014 ( -2.953 0.000 1.463) 3.296 7.643 ( 0.607 0.000 -0.752) 0.966 7.643 ( -0.607 0.000 0.752) 0.966 8.194 ( -2.331 0.000 0.430) 2.370 8.194 ( 2.331 0.000 -0.430) 2.370 8.584 ( 1.092 0.000 -1.383) 1.761 8.584 ( -1.092 0.000 1.383) 1.762 8.877 ( -1.603 0.000 -0.154) 1.610 8.877 ( 1.603 0.000 0.154) 1.610 9.509 ( -0.101 0.000 -1.375) 1.379 9.509 ( 0.101 0.000 1.375) 1.379 9.779 ( -0.106 0.000 -0.525) 0.536 9.779 ( 0.106 0.000 0.525) 0.536 10.670 ( -2.683 0.000 0.656) 2.762 10.670 ( 2.683 0.000 -0.656) 2.762 10.839 ( -6.961 0.000 -0.121) 6.962 10.839 ( 6.961 0.000 0.121) 6.962 11.094 ( 0.336 0.000 -1.427) 1.466 11.094 ( -0.336 0.000 1.427) 1.466 11.625 ( -3.608 0.000 -0.194) 3.614 11.625 ( 3.608 0.000 0.194) 3.614 12.053 ( -5.810 0.000 -1.422) 5.982 12.053 ( 5.810 0.000 1.422) 5.982 12.217 ( -5.432 0.000 0.392) 5.446 12.217 ( 5.432 0.000 -0.392) 5.446 12.364 ( -9.773 0.000 1.484) 9.885 12.364 ( 9.773 0.000 -1.484) 9.885 12.575 ( 3.738 0.000 -2.154) 4.314 12.575 ( -3.738 0.000 2.154) 4.314 14.170 ( -5.624 0.000 0.035) 5.624 14.170 ( 5.624 0.000 -0.035) 5.624 14.202 ( -5.278 0.000 0.243) 5.284 14.202 ( 5.278 0.000 -0.243) 5.284 17.586 ( -14.365 0.000 1.657) 14.460 17.586 ( 14.365 0.000 -1.657) 14.460 17.631 ( -12.835 0.000 -0.892) 12.866 17.631 ( 12.835 0.000 0.892) 12.866 20.067 ( -14.709 0.000 -1.124) 14.752 20.067 ( 14.709 0.000 1.124) 14.752 20.104 ( -15.146 0.000 2.670) 15.379 20.104 ( 15.146 0.000 -2.670) 15.379 22.660 ( -3.053 0.000 0.424) 3.082 22.660 ( 3.053 0.000 -0.424) 3.082 22.728 ( -4.437 0.000 -2.477) 5.082 22.728 ( 4.437 0.000 2.477) 5.082 27.809 ( -0.398 0.000 -0.013) 0.399 27.809 ( 0.398 0.000 0.013) 0.399 27.913 ( 0.409 0.000 -0.302) 0.509 27.913 ( -0.409 0.000 0.302) 0.509 29.812 ( 0.919 0.000 -0.316) 0.972 29.812 ( -0.919 0.000 0.316) 0.972 30.029 ( -0.994 0.000 -1.098) 1.481 30.029 ( 0.994 0.000 1.098) 1.481 30.593 ( 2.421 0.000 -2.460) 3.452 30.593 ( -2.421 0.000 2.460) 3.452 30.867 ( -1.600 0.000 -2.964) 3.368 30.867 ( 1.600 0.000 2.964) 3.368 31.199 ( 5.965 0.000 -2.141) 6.338 31.199 ( -5.965 0.000 2.141) 6.338 31.419 ( -2.773 0.000 -2.142) 3.504 31.419 ( 2.773 0.000 2.142) 3.504 31.969 ( -5.161 0.000 -0.335) 5.172 31.969 ( 5.161 0.000 0.335) 5.172 31.985 ( -7.874 0.000 0.590) 7.896 31.985 ( 7.874 0.000 -0.590) 7.896 ======================= Grid point 167 (85/96) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 0.239 -4.855 -13.238) 14.102 1.291 ( -0.239 -4.855 13.238) 14.102 1.693 ( 0.884 -3.292 -1.593) 3.763 1.693 ( -0.884 -3.292 1.593) 3.763 1.799 ( -0.887 0.029 -7.479) 7.531 1.799 ( 0.887 0.029 7.479) 7.531 1.897 ( 1.069 -1.913 -6.692) 7.042 1.897 ( -1.069 -1.913 6.692) 7.042 2.011 ( 4.650 -0.841 -5.910) 7.567 2.011 ( -4.650 -0.841 5.910) 7.567 2.213 ( 0.816 -0.155 -4.708) 4.781 2.213 ( -0.816 -0.155 4.708) 4.781 2.379 ( 5.288 13.504 -10.449) 17.875 2.379 ( -5.288 13.504 10.449) 17.875 2.715 ( 2.210 -2.411 -5.675) 6.551 2.715 ( -2.210 -2.411 5.675) 6.551 2.971 ( -1.294 3.085 -7.810) 8.496 2.971 ( 1.294 3.085 7.810) 8.496 3.037 ( 0.061 4.437 -1.418) 4.658 3.037 ( -0.061 4.437 1.418) 4.658 3.243 ( 2.791 -1.322 -3.576) 4.725 3.243 ( -2.791 -1.322 3.576) 4.725 3.634 ( -3.564 -11.089 -3.984) 12.310 3.634 ( 3.564 -11.089 3.984) 12.310 4.179 ( -3.457 1.953 -3.780) 5.482 4.179 ( 3.457 1.953 3.780) 5.482 4.650 ( 0.280 0.501 -1.126) 1.263 4.650 ( -0.280 0.501 1.126) 1.263 5.074 ( 1.169 -0.274 -2.371) 2.657 5.074 ( -1.169 -0.274 2.371) 2.657 5.335 ( 3.875 2.532 -6.210) 7.745 5.335 ( -3.875 2.532 6.210) 7.745 5.483 ( 0.951 -2.959 -2.681) 4.104 5.483 ( -0.951 -2.959 2.681) 4.104 5.694 ( 0.150 4.178 -2.471) 4.857 5.694 ( -0.150 4.178 2.471) 4.857 5.902 ( 1.591 -4.007 -2.819) 5.151 5.902 ( -1.591 -4.007 2.819) 5.151 6.149 ( -2.732 -3.652 0.027) 4.561 6.149 ( 2.732 -3.652 -0.027) 4.561 6.617 ( -4.173 13.642 -2.349) 14.458 6.617 ( 4.173 13.642 2.349) 14.458 7.020 ( 1.243 -7.388 -3.575) 8.301 7.020 ( -1.243 -7.388 3.575) 8.301 7.616 ( -2.526 -3.034 -1.763) 4.324 7.616 ( 2.526 -3.034 1.763) 4.324 7.775 ( -1.229 0.832 -2.847) 3.210 7.775 ( 1.229 0.832 2.847) 3.210 8.027 ( 1.146 -2.763 -6.690) 7.328 8.027 ( -1.146 -2.763 6.690) 7.328 8.409 ( -1.243 -2.940 -0.388) 3.215 8.409 ( 1.243 -2.940 0.388) 3.215 9.064 ( -0.991 8.094 -4.401) 9.267 9.064 ( 0.991 8.094 4.401) 9.267 9.655 ( 0.702 -0.715 -0.939) 1.373 9.655 ( -0.702 -0.715 0.939) 1.373 9.854 ( -0.463 -0.339 -1.287) 1.409 9.854 ( 0.463 -0.339 1.287) 1.409 10.571 ( 0.310 -0.040 -0.359) 0.476 10.571 ( -0.310 -0.040 0.359) 0.476 11.363 ( -0.470 -0.023 0.007) 0.471 11.363 ( 0.470 -0.023 -0.007) 0.471 11.779 ( 0.321 1.183 -1.342) 1.818 11.779 ( -0.321 1.183 1.342) 1.818 12.396 ( -1.475 -0.909 -0.229) 1.748 12.396 ( 1.475 -0.909 0.229) 1.748 12.890 ( 1.483 -1.105 -2.867) 3.412 12.890 ( -1.483 -1.105 2.867) 3.412 13.731 ( -6.899 -2.538 -1.869) 7.585 13.731 ( 6.899 -2.538 1.869) 7.585 14.010 ( -0.012 0.597 -0.077) 0.603 14.010 ( 0.012 0.597 0.077) 0.603 14.739 ( 0.567 -0.111 -0.395) 0.699 14.739 ( -0.567 -0.111 0.395) 0.699 14.936 ( -0.046 0.162 -0.453) 0.483 14.936 ( 0.046 0.162 0.453) 0.483 15.399 ( -0.204 0.572 -0.623) 0.870 15.399 ( 0.204 0.572 0.623) 0.870 17.022 ( 1.491 -0.695 -1.723) 2.382 17.022 ( -1.491 -0.695 1.723) 2.382 19.931 ( -0.473 -0.216 -2.046) 2.111 19.931 ( 0.473 -0.216 2.046) 2.111 21.513 ( -0.546 -0.322 -0.227) 0.673 21.513 ( 0.546 -0.322 0.227) 0.673 22.009 ( 1.092 3.037 -2.782) 4.261 22.009 ( -1.092 3.037 2.782) 4.261 22.416 ( 0.955 -1.094 -1.671) 2.214 22.416 ( -0.955 -1.094 1.671) 2.214 27.734 ( 0.030 0.075 -0.114) 0.140 27.734 ( -0.030 0.075 0.114) 0.140 28.291 ( -0.490 -0.002 0.101) 0.501 28.291 ( 0.490 -0.002 -0.101) 0.501 28.327 ( -0.045 0.013 -0.037) 0.060 28.327 ( 0.045 0.013 0.037) 0.060 28.852 ( 0.164 0.335 -0.276) 0.464 28.852 ( -0.164 0.335 0.276) 0.464 29.858 ( -0.117 0.072 -1.240) 1.247 29.858 ( 0.117 0.072 1.240) 1.247 30.303 ( -0.985 0.008 -7.181) 7.249 30.303 ( 0.985 0.008 7.181) 7.249 31.423 ( 0.717 2.651 -6.577) 7.127 31.423 ( -0.717 2.651 6.577) 7.127 32.088 ( -0.530 -12.536 -3.851) 13.125 32.088 ( 0.530 -12.536 3.851) 13.125 32.662 ( -1.195 8.138 -1.749) 8.410 32.662 ( 1.195 8.138 1.749) 8.410 33.320 ( -0.941 1.441 -1.757) 2.460 33.320 ( 0.941 1.441 1.757) 2.460 ======================= Grid point 169 (86/96) ======================= q-point: ( 0.10 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 3.853 -0.258 2.060) 4.377 1.406 ( 7.079 -1.303 -2.197) 7.526 1.627 ( -1.334 0.935 2.040) 2.611 1.692 ( 0.622 -2.185 -1.953) 2.996 1.750 ( -5.480 3.823 -4.752) 8.199 1.799 ( -6.035 -0.773 10.235) 11.907 1.879 ( -1.369 -2.612 5.170) 5.952 1.915 ( -1.184 -5.531 5.011) 7.556 1.983 ( 5.694 -0.515 -7.150) 9.155 2.082 ( 0.708 -2.617 -2.946) 4.003 2.240 ( 1.886 2.729 4.802) 5.836 2.263 ( 3.500 -1.227 2.095) 4.260 2.445 ( 11.195 8.268 5.855) 15.099 2.539 ( 5.375 11.829 -4.564) 13.771 2.837 ( 6.784 -8.251 0.248) 10.685 2.922 ( 12.452 -1.597 -3.978) 13.169 3.008 ( 5.930 6.178 -2.662) 8.967 3.047 ( 9.009 1.953 0.540) 9.234 3.078 ( 6.367 4.486 -7.399) 10.743 3.208 ( 12.162 -0.362 5.700) 13.437 3.263 ( 12.314 -3.365 -4.341) 13.483 3.378 ( 8.498 3.868 -3.368) 9.925 3.517 ( -2.193 -12.823 1.927) 13.151 3.710 ( 2.552 -7.009 2.424) 7.843 4.121 ( -1.174 3.854 -4.960) 6.390 4.230 ( 1.214 -1.478 -0.713) 2.041 4.667 ( 2.106 1.155 1.666) 2.923 4.697 ( 4.216 1.361 0.963) 4.534 5.030 ( -1.344 2.508 -0.020) 2.845 5.131 ( -0.558 0.608 -1.384) 1.611 5.292 ( 3.307 -0.829 6.216) 7.089 5.379 ( 0.629 -0.219 1.826) 1.943 5.514 ( 2.579 -2.257 -0.847) 3.530 5.547 ( 5.015 -3.405 -0.709) 6.104 5.642 ( -1.452 3.200 2.006) 4.047 5.724 ( 1.107 4.149 -2.924) 5.196 5.865 ( -1.955 -3.601 4.209) 5.874 5.938 ( 2.332 -4.130 -3.488) 5.887 6.141 ( 2.037 0.034 -0.246) 2.052 6.271 ( 8.440 -4.875 -0.865) 9.785 6.518 ( -4.109 12.771 -0.725) 13.435 6.693 ( 1.951 11.704 1.263) 11.932 6.937 ( -5.983 -6.684 3.370) 9.583 6.985 ( -3.757 -3.130 -5.475) 7.341 7.524 ( -6.623 -4.487 -0.223) 8.003 7.629 ( -3.836 -4.899 -2.574) 6.733 7.791 ( 4.425 1.797 2.690) 5.482 7.840 ( 3.664 0.706 1.995) 4.232 8.031 ( 3.215 0.298 5.714) 6.563 8.077 ( 5.700 -2.419 -5.232) 8.106 8.402 ( 0.771 -0.630 -0.333) 1.050 8.442 ( 1.372 -3.173 1.487) 3.763 9.047 ( 0.793 5.979 -6.370) 8.772 9.081 ( 1.279 4.580 1.019) 4.863 9.683 ( 1.649 0.128 0.835) 1.853 9.732 ( 3.323 -1.616 1.566) 4.013 9.854 ( 2.109 0.113 -0.724) 2.232 9.858 ( 1.844 0.076 -1.619) 2.455 10.529 ( -3.446 0.429 1.415) 3.749 10.559 ( -2.122 -0.862 0.668) 2.386 11.317 ( -1.984 0.415 -1.126) 2.319 11.341 ( -1.021 -0.595 -1.354) 1.797 11.767 ( -0.048 1.023 2.997) 3.167 11.783 ( 0.373 0.667 0.515) 0.922 12.518 ( 11.971 0.546 -0.746) 12.007 12.569 ( 13.253 -1.476 -1.189) 13.388 12.818 ( -6.030 -0.570 1.536) 6.249 12.857 ( -6.010 -1.876 -5.450) 8.327 13.526 ( -12.273 3.128 -0.720) 12.685 13.732 ( -8.791 -5.709 2.527) 10.783 13.846 ( -15.202 0.615 0.802) 15.236 13.864 ( -14.404 0.233 0.748) 14.425 14.673 ( -12.624 0.054 -0.614) 12.639 14.691 ( -12.768 -0.817 0.365) 12.800 14.976 ( 7.654 0.255 0.038) 7.658 14.994 ( 8.483 -0.558 0.508) 8.517 15.375 ( 2.690 0.559 0.330) 2.767 15.385 ( 4.586 0.362 -0.291) 4.609 17.252 ( 22.552 0.691 0.572) 22.570 17.308 ( 23.693 -1.657 -3.371) 23.989 19.603 ( -26.073 0.226 -1.555) 26.120 19.617 ( -25.983 -0.318 0.678) 25.994 21.505 ( -2.183 0.062 -0.483) 2.236 21.523 ( -1.656 -0.671 0.402) 1.831 22.150 ( 9.038 5.161 1.148) 10.471 22.219 ( 13.224 6.683 -0.408) 14.822 22.419 ( 4.725 -4.591 2.681) 7.112 22.499 ( 9.169 -4.373 -3.185) 10.647 27.730 ( -0.281 0.065 0.127) 0.315 27.731 ( -0.191 0.001 -0.043) 0.195 28.299 ( -2.663 0.063 0.137) 2.668 28.301 ( -2.579 -0.032 0.456) 2.619 28.525 ( 21.353 0.263 1.889) 21.438 28.541 ( 21.631 -0.419 -1.672) 21.700 28.938 ( 8.809 0.624 -0.270) 8.835 28.947 ( 9.045 0.228 -0.329) 9.054 29.891 ( 3.347 0.158 -0.518) 3.391 29.899 ( 3.695 -0.159 1.041) 3.842 30.327 ( 3.602 0.863 -5.946) 7.005 30.370 ( 5.218 -0.947 6.735) 8.572 31.399 ( -1.575 2.425 5.972) 6.635 31.423 ( -0.645 2.236 -4.700) 5.244 32.002 ( -6.049 -10.185 -1.168) 11.903 32.081 ( -2.826 -12.963 -0.382) 13.273 32.568 ( -7.508 9.566 -0.075) 12.161 32.636 ( -4.177 7.366 1.116) 8.541 33.125 ( -16.736 1.435 -3.906) 17.245 33.170 ( -14.547 -0.177 3.195) 14.895 ======================= Grid point 170 (87/96) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 8.582 5.195 -4.104) 10.839 1.492 ( -0.773 4.105 3.355) 5.357 1.618 ( -0.101 1.933 0.528) 2.006 1.662 ( 1.530 2.776 3.761) 4.918 1.687 ( -3.435 0.608 -0.346) 3.505 1.700 ( -0.755 -1.205 -1.656) 2.183 1.789 ( -3.590 1.702 0.306) 3.985 1.974 ( 5.074 -7.185 5.413) 10.328 2.077 ( 3.240 0.926 -2.876) 4.430 2.146 ( 3.444 -2.316 -5.000) 6.498 2.242 ( 1.391 0.510 1.490) 2.101 2.415 ( 10.001 -4.201 6.291) 12.540 2.604 ( 2.116 3.292 -3.552) 5.285 2.643 ( 5.730 1.433 -1.157) 6.018 2.883 ( -0.405 -1.773 -0.043) 1.819 2.928 ( -1.909 -2.517 -5.212) 6.094 3.066 ( 1.275 2.925 -2.407) 3.997 3.112 ( 1.434 1.469 -4.360) 4.819 3.335 ( 4.770 -1.598 -2.453) 5.597 3.462 ( 7.481 -3.712 -2.909) 8.844 3.599 ( 10.836 0.301 4.406) 11.701 3.606 ( 11.849 1.127 4.250) 12.639 3.778 ( 16.988 -3.607 -3.015) 17.626 3.820 ( 12.058 -3.230 0.638) 12.499 4.182 ( 10.016 2.609 3.293) 10.861 4.283 ( 7.560 -2.142 2.454) 8.232 4.694 ( -0.115 3.213 2.074) 3.826 4.825 ( 4.927 -2.178 -0.957) 5.471 5.002 ( 1.335 6.183 -1.289) 6.455 5.087 ( -1.581 5.399 -0.326) 5.635 5.332 ( -0.226 0.769 2.423) 2.552 5.459 ( 2.654 1.115 1.362) 3.185 5.554 ( 1.916 -6.746 2.175) 7.342 5.628 ( 3.664 -3.743 1.167) 5.367 5.672 ( 0.074 -3.710 5.717) 6.815 5.786 ( 5.012 -0.971 0.224) 5.110 5.901 ( 8.607 -0.588 -0.402) 8.637 6.020 ( 7.812 -4.692 -5.406) 10.595 6.215 ( 5.827 6.714 1.718) 9.055 6.438 ( 1.488 -4.289 -0.096) 4.541 6.519 ( 9.910 11.102 -2.011) 15.017 6.682 ( -2.019 5.783 0.559) 6.151 6.818 ( -3.570 -3.636 -0.638) 5.136 6.932 ( -0.580 1.504 -4.409) 4.694 7.358 ( -7.997 -4.904 0.825) 9.417 7.499 ( -7.422 -3.967 -1.682) 8.582 7.915 ( 8.279 1.807 0.533) 8.491 7.947 ( 7.836 1.438 0.721) 7.999 8.162 ( 7.768 1.226 5.543) 9.621 8.255 ( 8.351 -2.958 -2.140) 9.114 8.435 ( 2.713 1.692 -2.074) 3.812 8.480 ( 3.840 -0.420 1.449) 4.125 9.122 ( 6.728 2.040 -6.167) 9.352 9.152 ( 5.829 0.333 -1.567) 6.045 9.681 ( -0.384 0.297 1.409) 1.491 9.712 ( -2.209 -0.764 2.553) 3.461 9.947 ( 4.893 0.159 -0.907) 4.979 9.971 ( 5.602 -0.667 -3.392) 6.583 10.447 ( -3.322 0.815 2.498) 4.236 10.501 ( -2.022 -1.541 1.623) 3.016 11.351 ( 5.981 0.507 -2.075) 6.351 11.382 ( 5.636 -0.834 -2.386) 6.177 11.786 ( 1.129 0.696 3.389) 3.640 11.802 ( 1.644 0.640 3.753) 4.147 12.593 ( -14.916 -0.636 -3.416) 15.315 12.617 ( -14.858 -0.624 -2.542) 15.087 12.805 ( 10.692 0.590 -1.143) 10.769 12.859 ( 10.821 -2.010 -1.125) 11.063 13.237 ( -15.863 3.763 -0.370) 16.308 13.401 ( -22.520 -3.028 1.020) 22.746 13.431 ( -22.189 1.317 0.699) 22.239 13.488 ( -19.031 -1.413 1.475) 19.140 14.270 ( -24.182 0.071 -0.732) 24.193 14.283 ( -24.560 -0.514 0.396) 24.569 14.966 ( -8.520 0.076 0.888) 8.567 14.970 ( -8.024 -0.102 -0.940) 8.079 15.749 ( 30.672 1.402 -0.038) 30.704 15.832 ( 32.379 -2.256 1.179) 32.479 17.850 ( 33.879 0.854 0.309) 33.891 17.899 ( 32.693 -1.202 -4.101) 32.971 19.040 ( -26.695 0.280 -0.690) 26.706 19.050 ( -27.149 -0.099 0.221) 27.150 21.390 ( -9.305 0.282 -0.626) 9.330 21.414 ( -9.248 -0.667 0.608) 9.292 22.245 ( 2.567 3.863 -1.272) 4.809 22.320 ( 1.270 3.774 0.218) 3.988 22.688 ( 14.379 -2.442 3.728) 15.054 22.771 ( 13.162 -3.816 -2.481) 13.927 27.726 ( 0.051 0.082 0.157) 0.185 27.730 ( 0.130 -0.060 -0.003) 0.144 28.220 ( -4.966 0.096 0.085) 4.968 28.223 ( -4.913 -0.067 0.642) 4.955 29.013 ( 20.733 -0.241 -0.378) 20.738 29.019 ( 21.634 -0.351 0.060) 21.637 29.243 ( 21.731 0.732 2.554) 21.893 29.251 ( 22.720 0.593 -3.092) 22.937 29.984 ( 5.277 0.140 -0.166) 5.281 29.999 ( 5.693 -0.496 1.252) 5.851 30.444 ( 7.808 1.372 -3.396) 8.624 30.513 ( 8.260 -1.555 5.282) 9.927 31.369 ( -1.631 1.296 3.218) 3.833 31.396 ( -1.706 1.599 -1.140) 2.601 31.851 ( -8.378 -6.886 -1.801) 10.993 31.971 ( -7.903 -11.367 -1.373) 13.912 32.358 ( -12.867 10.936 1.366) 16.942 32.494 ( -9.892 8.720 0.093) 13.187 32.716 ( -20.610 -1.717 -6.551) 21.694 32.810 ( -18.634 -2.484 5.677) 19.637 ======================= Grid point 171 (88/96) ======================= q-point: ( 0.30 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 0.221 2.883 0.405) 2.920 1.559 ( 1.941 -1.041 -5.054) 5.513 1.616 ( -0.135 0.271 -0.166) 0.345 1.660 ( -0.902 0.450 -0.884) 1.341 1.693 ( 3.189 -0.623 -1.062) 3.419 1.739 ( 1.847 1.177 1.018) 2.415 1.882 ( 13.067 9.558 2.398) 16.367 2.075 ( 2.117 -1.797 2.138) 3.505 2.133 ( 3.723 2.054 -2.502) 4.933 2.198 ( 3.697 -3.409 -3.385) 6.062 2.327 ( 4.481 0.224 0.925) 4.581 2.554 ( 0.745 -7.667 1.935) 7.943 2.603 ( -1.446 -2.510 -2.698) 3.959 2.696 ( 2.574 -5.317 -0.851) 5.968 2.875 ( 1.174 7.325 4.904) 8.893 3.032 ( 10.088 2.619 -3.802) 11.095 3.103 ( 1.409 -0.947 -4.135) 4.470 3.150 ( 5.090 -1.710 -6.903) 8.745 3.406 ( 2.484 0.903 0.032) 2.643 3.540 ( -0.369 -2.083 -1.109) 2.388 3.598 ( -6.336 1.918 1.225) 6.733 3.698 ( -3.025 -2.160 -0.367) 3.735 3.934 ( 6.762 0.464 -3.666) 7.706 4.047 ( 5.123 -3.621 -2.936) 6.927 4.418 ( 7.731 0.440 1.681) 7.924 4.548 ( 10.724 -2.826 9.735) 14.756 4.669 ( -0.992 2.938 1.704) 3.538 4.798 ( -3.223 -2.379 4.815) 6.263 5.045 ( -1.747 12.723 5.102) 13.819 5.192 ( 8.359 2.729 0.954) 8.844 5.366 ( 4.907 1.932 1.023) 5.372 5.462 ( 0.026 2.267 1.453) 2.692 5.567 ( -0.808 -4.389 1.380) 4.672 5.620 ( -2.945 -3.973 5.061) 7.076 5.760 ( 8.839 -8.016 4.024) 12.593 5.849 ( 0.384 -7.874 2.142) 8.169 5.990 ( 0.925 6.562 -8.984) 11.164 6.317 ( 13.085 -8.228 -2.490) 15.656 6.372 ( 4.645 7.258 3.870) 9.446 6.406 ( -2.525 -0.085 -1.312) 2.847 6.634 ( 4.226 2.816 -5.113) 7.206 6.788 ( 8.504 -1.027 -0.453) 8.578 6.897 ( 6.110 2.141 2.079) 6.800 7.004 ( 13.699 2.625 -4.536) 14.667 7.273 ( 1.423 -0.735 1.041) 1.910 7.364 ( -4.491 -0.414 -2.702) 5.258 8.141 ( 12.129 1.073 3.481) 12.665 8.183 ( 14.762 0.585 0.977) 14.806 8.295 ( 0.249 -1.473 0.098) 1.497 8.311 ( 3.819 -1.170 -1.839) 4.397 8.534 ( 7.540 4.353 -2.389) 9.028 8.646 ( 10.112 -0.305 -0.682) 10.139 9.284 ( 8.026 -0.285 -3.560) 8.784 9.298 ( 7.481 -0.911 -2.276) 7.873 9.739 ( 5.958 -0.179 0.685) 6.000 9.743 ( 7.677 -0.317 0.420) 7.695 9.982 ( -0.751 -0.113 -0.058) 0.761 10.005 ( -1.084 -0.422 -0.595) 1.306 10.468 ( 5.894 1.257 2.600) 6.564 10.549 ( 6.837 -2.268 1.036) 7.278 11.540 ( 11.373 0.209 -1.719) 11.504 11.556 ( 10.413 -0.512 -2.418) 10.703 11.811 ( 1.786 1.590 3.594) 4.317 11.848 ( 2.289 0.126 5.069) 5.563 12.211 ( -20.027 -0.202 -6.468) 21.046 12.251 ( -20.146 -1.754 -0.821) 20.238 12.634 ( -29.743 0.124 0.424) 29.746 12.638 ( -30.707 -0.099 0.564) 30.712 12.921 ( -14.626 3.002 0.061) 14.931 13.070 ( -14.794 -3.539 1.588) 15.294 13.173 ( -7.415 1.787 -1.911) 7.863 13.233 ( -5.510 -1.053 -0.420) 5.626 13.824 ( -12.692 0.032 -0.175) 12.693 13.829 ( -12.924 0.011 -0.111) 12.924 14.749 ( -12.065 0.176 0.858) 12.096 14.754 ( -12.136 -0.048 -0.554) 12.149 16.429 ( 33.456 1.334 -1.390) 33.512 16.510 ( 32.076 -2.169 1.439) 32.182 18.451 ( -7.220 -0.044 -1.060) 7.297 18.456 ( -5.361 -0.220 -0.313) 5.374 18.668 ( 19.330 0.756 1.294) 19.388 18.693 ( 20.863 -0.296 -2.861) 21.060 21.116 ( -17.546 0.446 -0.751) 17.568 21.139 ( -17.695 -0.537 0.772) 17.720 22.324 ( 5.753 1.912 -0.762) 6.110 22.370 ( 4.249 1.317 0.206) 4.453 22.877 ( 3.556 -0.512 2.821) 4.568 22.937 ( 2.595 -2.305 -1.790) 3.905 27.736 ( 1.006 0.112 0.136) 1.022 27.741 ( 1.054 -0.088 0.023) 1.057 28.104 ( -6.118 0.112 -0.070) 6.120 28.108 ( -6.082 -0.099 0.522) 6.105 29.368 ( 15.746 0.323 -0.736) 15.767 29.387 ( 15.794 -0.532 -1.044) 15.838 29.748 ( 23.227 0.886 4.872) 23.749 29.772 ( 24.394 0.001 -4.257) 24.763 30.091 ( 5.279 0.405 0.216) 5.299 30.122 ( 6.628 -0.829 1.451) 6.836 30.637 ( 10.833 1.280 -0.825) 10.940 30.700 ( 9.543 -1.390 3.714) 10.334 31.314 ( -4.153 0.801 -3.963) 5.796 31.368 ( -1.385 -0.559 5.481) 5.681 31.667 ( -9.423 -4.056 -2.314) 10.517 31.759 ( -12.146 -6.147 -1.740) 13.723 32.087 ( -11.900 8.372 1.729) 14.653 32.222 ( -15.097 8.061 -2.129) 17.246 32.369 ( -13.053 -3.542 -3.666) 14.014 32.466 ( -15.001 -2.914 4.887) 16.043 ======================= Grid point 172 (89/96) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 2.633 0.576 -2.244) 3.508 1.565 ( -0.541 -2.091 -1.128) 2.437 1.625 ( -0.164 0.584 -0.360) 0.705 1.638 ( -0.739 0.064 -0.781) 1.078 1.766 ( 5.954 3.921 -0.367) 7.139 1.901 ( 10.640 -1.313 1.137) 10.781 2.048 ( -1.435 -1.936 0.948) 2.589 2.111 ( 4.363 -0.023 1.132) 4.507 2.209 ( 2.851 2.105 -1.497) 3.847 2.289 ( 2.157 -0.638 -3.445) 4.114 2.371 ( 3.447 1.842 -3.140) 5.014 2.531 ( -0.668 -4.955 0.095) 5.001 2.637 ( 3.084 -2.661 3.996) 5.706 2.747 ( 4.493 -0.537 3.597) 5.780 2.897 ( -1.384 -0.394 0.613) 1.564 3.126 ( -4.967 -6.225 -6.799) 10.471 3.175 ( 3.576 5.641 -1.187) 6.783 3.272 ( 6.058 0.737 -7.404) 9.595 3.414 ( -0.880 3.298 0.065) 3.414 3.467 ( 0.033 1.929 2.355) 3.044 3.531 ( -1.775 0.515 -1.954) 2.690 3.604 ( -3.192 -2.200 -1.261) 4.077 4.044 ( 0.688 -0.244 0.888) 1.149 4.050 ( -1.906 0.408 0.482) 2.008 4.502 ( 3.308 2.908 -6.689) 8.009 4.640 ( 1.597 3.562 6.139) 7.275 4.696 ( 0.915 -3.773 1.495) 4.161 4.783 ( 0.385 -2.906 6.777) 7.384 5.004 ( 0.274 10.655 8.135) 13.408 5.223 ( -3.899 1.591 -3.390) 5.406 5.452 ( 0.850 -1.456 0.242) 1.703 5.509 ( 0.098 -7.546 2.086) 7.829 5.527 ( 2.152 2.429 2.773) 4.269 5.649 ( 4.385 -3.801 5.513) 8.005 5.809 ( -2.314 -6.519 2.868) 7.488 5.880 ( 0.826 -7.858 0.739) 7.936 6.032 ( 2.533 8.372 -3.757) 9.520 6.237 ( -8.498 6.603 -4.307) 11.591 6.405 ( 3.014 -4.825 0.127) 5.690 6.573 ( 2.801 -5.745 0.838) 6.446 6.735 ( 8.252 1.386 -0.452) 8.380 6.891 ( 6.028 -4.103 -1.615) 7.469 7.019 ( 0.986 7.907 -0.838) 8.012 7.144 ( -4.386 2.918 -0.599) 5.302 7.445 ( 15.064 1.768 -1.065) 15.205 7.488 ( 12.432 -0.408 -2.084) 12.612 8.227 ( -3.327 0.238 -0.592) 3.387 8.256 ( -0.883 -0.441 1.849) 2.095 8.485 ( 11.009 0.904 -0.233) 11.049 8.489 ( 10.420 0.893 -0.019) 10.459 8.742 ( 11.198 2.305 -1.439) 11.523 8.820 ( 6.375 -0.357 -1.862) 6.651 9.422 ( 5.720 -0.886 -0.187) 5.791 9.431 ( 5.644 -0.697 -1.550) 5.894 9.810 ( -2.465 -0.760 -0.397) 2.610 9.828 ( -3.161 -1.062 -0.214) 3.341 10.180 ( 23.681 0.142 -0.026) 23.682 10.185 ( 23.869 0.139 0.008) 23.869 10.650 ( 10.387 0.937 2.850) 10.812 10.730 ( 9.208 -2.457 0.493) 9.543 11.631 ( -18.567 0.408 -1.846) 18.663 11.649 ( -19.859 -0.123 -1.397) 19.909 11.727 ( -10.315 1.399 1.705) 10.548 11.817 ( -15.466 -2.056 1.149) 15.645 11.898 ( 7.631 2.127 2.973) 8.461 12.015 ( 5.797 -2.228 -1.150) 6.316 12.089 ( -10.054 0.446 -1.487) 10.173 12.106 ( -8.322 -0.077 -1.768) 8.508 12.607 ( -15.734 2.625 0.067) 15.951 12.720 ( -18.166 -2.027 2.047) 18.393 12.825 ( -21.894 0.919 -1.863) 21.993 12.874 ( -22.726 -1.254 0.091) 22.760 13.886 ( 12.642 0.333 -0.193) 12.648 13.897 ( 12.848 -0.133 -0.793) 12.873 14.482 ( -13.975 0.184 0.615) 13.989 14.487 ( -13.876 -0.015 0.007) 13.876 17.067 ( 28.599 0.794 -1.745) 28.663 17.114 ( 26.867 -1.226 0.818) 26.907 18.054 ( -21.439 0.039 0.833) 21.455 18.057 ( -20.932 -0.071 -0.084) 20.932 19.377 ( 36.197 0.364 0.791) 36.207 19.389 ( 35.894 -0.114 -2.666) 35.993 20.674 ( -25.537 0.451 -0.852) 25.555 20.692 ( -25.898 -0.345 1.139) 25.925 22.482 ( 9.377 0.550 -0.068) 9.394 22.499 ( 8.207 0.515 0.287) 8.228 22.850 ( -5.463 0.148 1.783) 5.748 22.889 ( -6.443 -1.263 -1.526) 6.741 27.770 ( 2.225 0.120 0.090) 2.230 27.775 ( 2.201 -0.100 0.026) 2.203 27.982 ( -5.440 0.116 -0.169) 5.444 27.987 ( -5.476 -0.111 0.302) 5.485 29.658 ( 12.095 0.314 -0.957) 12.137 29.674 ( 11.734 -0.375 -1.101) 11.792 30.025 ( 2.990 0.465 2.875) 4.174 30.050 ( 1.597 -0.594 -0.634) 1.818 30.322 ( 18.028 1.105 -1.568) 18.130 30.361 ( 16.610 -0.545 2.690) 16.836 30.854 ( 8.497 0.348 -0.347) 8.511 30.871 ( 5.184 -0.338 2.223) 5.651 31.194 ( -6.281 1.113 -3.812) 7.431 31.288 ( -6.870 -3.203 3.046) 8.169 31.487 ( -6.882 -0.247 -0.737) 6.926 31.539 ( -8.611 -2.084 -1.035) 8.919 31.927 ( -2.918 3.361 0.627) 4.494 31.989 ( -5.925 3.336 -1.012) 6.875 32.133 ( -10.070 -0.907 -1.762) 10.263 32.192 ( -11.940 -1.691 2.582) 12.332 ======================= Grid point 173 (90/96) ======================= q-point: ( 0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -1.298 -0.910 0.118) 1.590 1.542 ( 1.298 -0.910 -0.118) 1.590 1.623 ( -0.455 0.131 -0.713) 0.856 1.623 ( 0.455 0.131 0.713) 0.856 1.922 ( -7.333 3.288 -1.524) 8.180 1.922 ( 7.333 3.288 1.524) 8.180 2.099 ( -5.195 -3.203 -0.736) 6.148 2.099 ( 5.195 -3.203 0.736) 6.148 2.263 ( -2.237 1.714 -4.541) 5.344 2.263 ( 2.237 1.714 4.541) 5.344 2.488 ( -4.501 -4.998 -0.742) 6.767 2.488 ( 4.501 -4.998 0.742) 6.767 2.763 ( -7.434 0.838 -4.472) 8.716 2.763 ( 7.434 0.838 4.472) 8.716 2.913 ( -9.201 -2.864 -6.950) 11.881 2.913 ( 9.201 -2.864 6.950) 11.881 3.279 ( -1.497 1.492 -6.440) 6.778 3.279 ( 1.497 1.492 6.440) 6.778 3.440 ( 1.307 2.147 -1.810) 3.098 3.440 ( -1.307 2.147 1.810) 3.098 3.566 ( -3.058 1.534 -0.727) 3.497 3.566 ( 3.058 1.534 0.727) 3.497 4.020 ( 0.554 0.741 -1.315) 1.608 4.020 ( -0.554 0.741 1.315) 1.608 4.597 ( 4.177 4.457 -9.758) 11.512 4.597 ( -4.177 4.457 9.758) 11.512 4.748 ( 2.849 -1.846 -3.374) 4.786 4.748 ( -2.849 -1.846 3.374) 4.786 5.099 ( -6.812 4.265 -6.393) 10.270 5.099 ( 6.812 4.265 6.393) 10.270 5.465 ( -0.113 -4.373 -2.638) 5.108 5.465 ( 0.113 -4.373 2.638) 5.108 5.638 ( -0.526 -8.180 -4.202) 9.211 5.638 ( 0.526 -8.180 4.202) 9.211 5.843 ( -3.566 -3.678 -2.910) 5.891 5.843 ( 3.566 -3.678 2.910) 5.891 6.085 ( -3.922 10.444 -3.956) 11.837 6.085 ( 3.922 10.444 3.956) 11.837 6.511 ( -4.912 -9.021 -2.849) 10.660 6.511 ( 4.912 -9.021 2.849) 10.660 6.933 ( -4.874 4.873 -6.023) 9.153 6.933 ( 4.874 4.873 6.023) 9.153 7.027 ( -0.746 2.690 -2.318) 3.629 7.027 ( 0.746 2.690 2.318) 3.629 7.631 ( -0.640 -1.152 -1.053) 1.687 7.631 ( 0.640 -1.152 1.054) 1.687 8.207 ( -0.555 1.168 -0.583) 1.419 8.207 ( 0.555 1.168 0.583) 1.419 8.601 ( 0.824 1.409 -1.090) 1.963 8.601 ( -0.824 1.409 1.090) 1.963 8.882 ( -1.290 0.420 -0.126) 1.362 8.882 ( 1.290 0.420 0.126) 1.362 9.501 ( -0.319 -0.688 -0.978) 1.237 9.501 ( 0.319 -0.688 0.978) 1.237 9.766 ( -0.199 -1.035 -0.400) 1.127 9.766 ( 0.199 -1.035 0.400) 1.127 10.659 ( -1.581 -0.952 0.193) 1.856 10.659 ( 1.581 -0.952 -0.193) 1.856 10.840 ( -4.897 0.057 -0.057) 4.898 10.840 ( 4.897 0.057 0.057) 4.898 11.097 ( 0.298 0.260 -0.973) 1.050 11.097 ( -0.298 0.260 0.973) 1.050 11.617 ( -2.538 -0.640 -0.190) 2.625 11.617 ( 2.538 -0.640 0.190) 2.625 12.074 ( -5.061 2.155 -1.448) 5.688 12.074 ( 5.061 2.155 1.448) 5.688 12.196 ( -2.997 -2.204 -0.250) 3.729 12.196 ( 2.997 -2.204 0.250) 3.729 12.381 ( -5.279 1.523 0.528) 5.519 12.381 ( 5.279 1.523 -0.528) 5.519 12.566 ( 2.771 -0.905 -1.630) 3.340 12.566 ( -2.771 -0.905 1.630) 3.340 14.171 ( -4.154 0.156 0.033) 4.157 14.171 ( 4.154 0.156 -0.033) 4.157 14.203 ( -3.908 0.019 0.179) 3.913 14.203 ( 3.908 0.019 -0.179) 3.913 17.587 ( -11.135 0.100 1.205) 11.201 17.587 ( 11.135 0.100 -1.205) 11.201 17.628 ( -10.059 -0.261 -0.589) 10.079 17.628 ( 10.059 -0.261 0.589) 10.079 20.069 ( -11.021 0.180 -0.771) 11.049 20.069 ( 11.021 0.180 0.771) 11.049 20.104 ( -11.292 0.027 1.878) 11.447 20.104 ( 11.292 0.027 -1.878) 11.447 22.659 ( -2.186 -0.078 0.318) 2.210 22.659 ( 2.186 -0.078 -0.318) 2.210 22.728 ( -3.117 -0.011 -1.767) 3.583 22.728 ( 3.117 -0.011 1.767) 3.583 27.809 ( -0.282 0.012 -0.009) 0.283 27.809 ( 0.282 0.012 0.009) 0.283 27.913 ( 0.289 -0.002 -0.214) 0.359 27.913 ( -0.289 -0.002 0.214) 0.359 29.811 ( 0.013 -0.040 -0.050) 0.065 29.811 ( -0.013 -0.040 0.050) 0.065 30.029 ( -0.709 -0.030 -0.777) 1.052 30.029 ( 0.709 -0.030 0.777) 1.052 30.596 ( 1.658 0.253 -1.758) 2.429 30.596 ( -1.658 0.253 1.758) 2.429 30.868 ( -1.147 0.068 -2.129) 2.420 30.868 ( 1.147 0.068 2.129) 2.420 31.194 ( 4.070 -0.494 -1.475) 4.357 31.194 ( -4.070 -0.494 1.475) 4.357 31.412 ( -1.924 -0.630 -1.465) 2.499 31.412 ( 1.924 -0.630 1.465) 2.499 31.967 ( -5.215 -0.020 -0.256) 5.221 31.967 ( 5.215 -0.020 0.256) 5.221 31.997 ( -5.424 0.905 -0.103) 5.500 31.997 ( 5.424 0.905 0.103) 5.500 ======================= Grid point 179 (91/96) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( -0.000 0.000 0.000) 0.000 1.233 ( 0.000 0.000 0.000) 0.000 1.658 ( -0.000 0.000 0.000) 0.000 1.658 ( 0.000 0.000 0.000) 0.000 1.836 ( -0.000 -0.000 -0.000) 0.000 1.836 ( 0.000 -0.000 0.000) 0.000 1.847 ( -0.000 0.000 0.000) 0.000 1.847 ( 0.000 0.000 0.000) 0.000 2.004 ( 0.000 0.000 -0.000) 0.000 2.004 ( -0.000 0.000 0.000) 0.000 2.204 ( 0.000 0.000 0.000) 0.000 2.204 ( 0.000 0.000 0.000) 0.000 2.605 ( 0.000 -0.000 -0.000) 0.000 2.605 ( 0.000 0.000 0.000) 0.000 2.610 ( -0.000 -0.000 0.000) 0.000 2.610 ( 0.000 0.000 -0.000) 0.000 3.023 ( -0.000 -0.000 0.000) 0.000 3.023 ( 0.000 -0.000 0.000) 0.000 3.044 ( -0.000 0.000 -0.000) 0.000 3.044 ( 0.000 0.000 -0.000) 0.000 3.373 ( -0.000 -0.000 0.000) 0.000 3.373 ( -0.000 0.000 0.000) 0.000 3.389 ( 0.000 -0.000 -0.000) 0.000 3.389 ( 0.000 0.000 -0.000) 0.000 4.200 ( -0.000 0.000 0.000) 0.000 4.200 ( 0.000 0.000 0.000) 0.000 4.658 ( -0.000 0.000 0.000) 0.000 4.658 ( -0.000 0.000 0.000) 0.000 5.069 ( -0.000 -0.000 0.000) 0.000 5.069 ( 0.000 0.000 0.000) 0.000 5.373 ( 0.000 -0.000 0.000) 0.000 5.373 ( -0.000 -0.000 0.000) 0.000 5.438 ( -0.000 0.000 -0.000) 0.000 5.438 ( 0.000 0.000 0.000) 0.000 5.767 ( -0.000 -0.000 0.000) 0.000 5.767 ( -0.000 0.000 0.000) 0.000 5.835 ( 0.000 -0.000 0.000) 0.000 5.835 ( 0.000 0.000 0.000) 0.000 6.115 ( -0.000 -0.000 0.000) 0.000 6.115 ( -0.000 0.000 0.000) 0.000 6.836 ( -0.000 -0.000 0.000) 0.000 6.836 ( 0.000 0.000 0.000) 0.000 6.871 ( 0.000 0.000 -0.000) 0.000 6.871 ( -0.000 0.000 0.000) 0.000 7.570 ( 0.000 0.000 0.000) 0.000 7.570 ( 0.000 0.000 0.000) 0.000 7.791 ( 0.000 0.000 -0.000) 0.000 7.791 ( 0.000 0.000 -0.000) 0.000 7.993 ( -0.000 -0.000 0.000) 0.000 7.993 ( -0.000 0.000 0.000) 0.000 8.379 ( 0.000 0.000 0.000) 0.000 8.379 ( -0.000 0.000 0.000) 0.000 9.156 ( -0.000 0.000 0.000) 0.000 9.156 ( -0.000 0.000 0.000) 0.000 9.644 ( -0.000 0.000 0.000) 0.000 9.644 ( 0.000 0.000 0.000) 0.000 9.850 ( -0.000 0.000 0.000) 0.000 9.850 ( 0.000 0.000 0.000) 0.000 10.571 ( 0.000 0.000 0.000) 0.000 10.571 ( -0.000 0.000 0.000) 0.000 11.362 ( 0.000 0.000 0.000) 0.000 11.362 ( 0.000 0.000 0.000) 0.000 11.793 ( -0.000 0.000 0.000) 0.000 11.793 ( -0.000 0.000 0.000) 0.000 12.384 ( -0.000 0.000 0.000) 0.000 12.384 ( -0.000 0.000 0.000) 0.000 12.877 ( 0.000 0.000 0.000) 0.000 12.877 ( 0.000 0.000 0.000) 0.000 13.703 ( -0.000 0.000 0.000) 0.000 13.703 ( 0.000 0.000 0.000) 0.000 14.016 ( -0.000 0.000 0.000) 0.000 14.016 ( -0.000 0.000 0.000) 0.000 14.737 ( -0.000 0.000 0.000) 0.000 14.737 ( -0.000 0.000 0.000) 0.000 14.938 ( 0.000 0.000 0.000) 0.000 14.938 ( 0.000 0.000 0.000) 0.000 15.406 ( -0.000 0.000 0.000) 0.000 15.406 ( -0.000 0.000 0.000) 0.000 17.014 ( -0.000 0.000 0.000) 0.000 17.014 ( 0.000 0.000 0.000) 0.000 19.928 ( -0.000 0.000 0.000) 0.000 19.928 ( 0.000 0.000 0.000) 0.000 21.509 ( 0.000 0.000 0.000) 0.000 21.509 ( -0.000 0.000 0.000) 0.000 22.045 ( -0.000 -0.000 0.000) 0.000 22.045 ( -0.000 0.000 0.000) 0.000 22.402 ( -0.000 0.000 0.000) 0.000 22.402 ( -0.000 0.000 0.000) 0.000 27.735 ( -0.000 0.000 0.000) 0.000 27.735 ( 0.000 0.000 0.000) 0.000 28.291 ( -0.000 0.000 0.000) 0.000 28.291 ( 0.000 0.000 0.000) 0.000 28.327 ( -0.000 0.000 0.000) 0.000 28.327 ( -0.000 0.000 0.000) 0.000 28.856 ( -0.000 0.000 0.000) 0.000 28.856 ( -0.000 0.000 0.000) 0.000 29.859 ( -0.000 0.000 0.000) 0.000 29.859 ( 0.000 0.000 0.000) 0.000 30.303 ( 0.000 0.000 0.000) 0.000 30.303 ( 0.000 0.000 0.000) 0.000 31.459 ( -0.000 -0.000 0.000) 0.000 31.459 ( -0.000 0.000 0.000) 0.000 31.954 ( 0.000 -0.000 0.000) 0.000 31.954 ( 0.000 0.000 0.000) 0.000 32.739 ( -0.000 0.000 0.000) 0.000 32.739 ( -0.000 0.000 0.000) 0.000 33.338 ( 0.000 0.000 0.000) 0.000 33.338 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 183 (92/96) ======================= q-point: ( 0.10 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 9.267 -4.382 1.737) 10.398 1.344 ( 9.267 4.382 1.737) 10.398 1.657 ( 0.736 -1.442 0.601) 1.727 1.657 ( 0.736 1.442 0.601) 1.727 1.786 ( -3.099 -1.146 0.189) 3.309 1.786 ( -3.099 1.146 0.189) 3.309 1.856 ( -2.403 -2.204 6.173) 6.982 1.856 ( -2.403 2.204 6.173) 6.982 2.018 ( 1.700 -3.692 -4.508) 6.069 2.018 ( 1.700 3.692 -4.508) 6.069 2.255 ( 3.199 -0.496 3.507) 4.773 2.255 ( 3.199 0.496 3.507) 4.773 2.627 ( 4.866 -9.345 1.957) 10.716 2.627 ( 4.866 9.345 1.957) 10.716 2.798 ( 5.638 -9.656 -5.296) 12.372 2.798 ( 5.638 9.656 -5.296) 12.372 3.087 ( 9.871 -1.917 -1.884) 10.230 3.087 ( 9.871 1.917 -1.884) 10.230 3.188 ( 15.563 -3.607 -3.564) 16.368 3.188 ( 15.563 3.607 -3.564) 16.368 3.261 ( -2.692 -9.500 0.778) 9.905 3.261 ( -2.692 9.500 0.778) 9.905 3.536 ( 8.143 -10.439 2.953) 13.564 3.536 ( 8.143 10.439 2.953) 13.564 4.186 ( -0.678 -3.122 -3.537) 4.766 4.186 ( -0.678 3.122 -3.537) 4.766 4.698 ( 3.413 -1.390 2.159) 4.271 4.698 ( 3.413 1.390 2.159) 4.271 5.092 ( 1.277 -3.759 -2.147) 4.514 5.092 ( 1.277 3.759 -2.147) 4.514 5.334 ( 0.004 -4.016 6.102) 7.305 5.334 ( 0.004 4.016 6.102) 7.305 5.501 ( 3.247 -1.031 -1.806) 3.856 5.501 ( 3.247 1.031 -1.806) 3.856 5.730 ( -2.292 -5.098 1.615) 5.819 5.730 ( -2.292 5.098 1.615) 5.819 5.851 ( 1.272 -4.218 -2.266) 4.954 5.851 ( 1.272 4.218 -2.266) 4.954 6.183 ( 6.283 -3.931 -1.119) 7.496 6.183 ( 6.283 3.931 -1.119) 7.496 6.761 ( -4.689 -11.804 1.800) 12.828 6.761 ( -4.689 11.804 1.800) 12.828 6.889 ( -0.255 -8.298 -1.724) 8.479 6.889 ( -0.255 8.298 -1.724) 8.479 7.518 ( -5.658 -4.677 -1.009) 7.409 7.518 ( -5.658 4.677 -1.009) 7.409 7.830 ( 3.937 -1.791 2.186) 4.847 7.830 ( 3.937 1.791 2.186) 4.847 8.043 ( 5.712 -1.201 -0.029) 5.837 8.043 ( 5.712 1.201 -0.029) 5.837 8.401 ( 1.984 -0.972 0.744) 2.331 8.401 ( 1.984 0.972 0.744) 2.331 9.124 ( -1.398 -1.090 -2.958) 3.448 9.124 ( -1.398 1.090 -2.958) 3.448 9.698 ( 2.554 -1.594 1.053) 3.189 9.698 ( 2.554 1.594 1.053) 3.189 9.857 ( 2.214 -0.174 -1.089) 2.474 9.857 ( 2.214 0.174 -1.089) 2.474 10.542 ( -2.935 -0.896 1.277) 3.324 10.542 ( -2.935 0.896 1.277) 3.324 11.328 ( -1.553 -0.750 -1.418) 2.233 11.328 ( -1.553 0.750 -1.418) 2.233 11.785 ( -0.078 -0.595 2.019) 2.106 11.785 ( -0.078 0.595 2.019) 2.106 12.537 ( 13.055 -1.580 -0.828) 13.176 12.537 ( 13.055 1.580 -0.828) 13.176 12.823 ( -6.193 -1.284 -2.075) 6.657 12.823 ( -6.193 1.284 -2.075) 6.657 13.615 ( -9.451 -6.226 0.729) 11.340 13.615 ( -9.451 6.226 0.729) 11.340 13.859 ( -14.922 -0.644 0.668) 14.951 13.859 ( -14.922 0.644 0.668) 14.951 14.678 ( -12.604 -0.515 -0.260) 12.617 14.678 ( -12.604 0.515 -0.260) 12.617 14.983 ( 7.725 -0.528 0.191) 7.746 14.983 ( 7.725 0.528 0.191) 7.746 15.385 ( 3.284 -0.366 0.080) 3.305 15.385 ( 3.284 0.366 0.080) 3.305 17.274 ( 23.305 -1.670 -1.017) 23.387 17.274 ( 23.305 1.670 -1.017) 23.387 19.609 ( -25.907 -0.424 -0.480) 25.915 19.609 ( -25.907 0.424 -0.480) 25.915 21.511 ( -1.889 -0.577 -0.035) 1.975 21.511 ( -1.889 0.577 -0.035) 1.975 22.266 ( 15.267 -5.516 1.912) 16.345 22.266 ( 15.267 5.516 1.912) 16.345 22.394 ( 2.368 -5.624 -1.883) 6.386 22.394 ( 2.368 5.624 -1.883) 6.386 27.731 ( -0.262 -0.058 0.038) 0.270 27.731 ( -0.262 0.058 0.038) 0.270 28.300 ( -2.619 -0.066 0.297) 2.636 28.300 ( -2.619 0.066 0.297) 2.636 28.532 ( 21.384 -0.478 0.135) 21.390 28.532 ( 21.384 0.478 0.135) 21.390 28.948 ( 9.042 -0.298 -0.347) 9.054 28.948 ( 9.042 0.298 -0.347) 9.054 29.895 ( 3.437 -0.248 0.441) 3.474 29.895 ( 3.437 0.248 0.441) 3.474 30.348 ( 4.366 -1.307 0.344) 4.570 30.348 ( 4.366 1.307 0.344) 4.570 31.442 ( -1.606 -1.106 1.408) 2.405 31.442 ( -1.606 1.106 1.408) 2.405 31.919 ( -3.334 -2.714 -1.774) 4.651 31.919 ( -3.334 2.714 -1.774) 4.651 32.684 ( -5.355 -2.223 0.160) 5.800 32.684 ( -5.355 2.223 0.160) 5.800 33.155 ( -16.593 -1.467 0.175) 16.659 33.155 ( -16.593 1.467 0.175) 16.659 ======================= Grid point 185 (93/96) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 4.185 -1.965 -1.902) 4.999 1.521 ( 4.185 1.965 -1.902) 4.999 1.660 ( -1.572 -1.611 -2.161) 3.120 1.660 ( -1.572 1.611 -2.161) 3.120 1.718 ( -1.038 -1.438 3.657) 4.064 1.718 ( -1.038 1.438 3.657) 4.064 1.832 ( 4.149 -5.713 6.290) 9.456 1.832 ( 4.149 5.713 6.290) 9.456 2.101 ( 4.145 -1.571 -4.512) 6.326 2.101 ( 4.145 1.571 -4.512) 6.326 2.309 ( 3.160 -6.270 2.356) 7.406 2.309 ( 3.160 6.270 2.356) 7.406 2.659 ( -1.962 -1.265 -2.506) 3.425 2.659 ( -1.962 1.265 -2.506) 3.425 2.866 ( 5.791 -1.997 -4.908) 7.849 2.866 ( 5.791 1.997 -4.908) 7.849 3.128 ( -3.528 -2.460 0.630) 4.347 3.128 ( -3.528 2.460 0.630) 4.347 3.358 ( 8.282 -5.587 -2.248) 10.240 3.358 ( 8.282 5.587 -2.248) 10.240 3.607 ( 12.121 -0.608 3.637) 12.670 3.607 ( 12.121 0.608 3.637) 12.670 3.769 ( 14.779 -1.979 -1.204) 14.959 3.769 ( 14.779 1.979 -1.204) 14.959 4.234 ( 8.151 -2.911 1.900) 8.861 4.234 ( 8.151 2.911 1.900) 8.861 4.766 ( 2.000 -4.077 1.030) 4.657 4.766 ( 2.000 4.077 1.030) 4.657 5.104 ( 1.910 -3.745 -2.999) 5.164 5.104 ( 1.910 3.745 -2.999) 5.164 5.406 ( 4.292 -6.508 5.237) 9.391 5.406 ( 4.292 6.508 5.237) 9.391 5.530 ( -0.522 -4.156 1.114) 4.334 5.530 ( -0.522 4.156 1.114) 4.334 5.716 ( 0.681 -5.624 3.786) 6.814 5.716 ( 0.681 5.624 3.786) 6.814 5.925 ( 8.146 -4.031 -4.947) 10.348 5.925 ( 8.146 4.031 -4.947) 10.348 6.339 ( 7.214 -5.870 -0.773) 9.333 6.339 ( 7.214 5.870 -0.773) 9.333 6.705 ( 1.155 -8.369 1.128) 8.523 6.705 ( 1.155 8.369 1.128) 8.523 6.852 ( -2.593 -9.457 -2.846) 10.211 6.852 ( -2.593 9.457 -2.846) 10.211 7.382 ( -5.892 -6.623 -0.375) 8.872 7.382 ( -5.892 6.623 -0.375) 8.872 7.950 ( 8.103 -1.282 0.925) 8.256 7.950 ( 8.103 1.282 0.925) 8.256 8.198 ( 7.195 -2.792 1.853) 7.937 8.198 ( 7.195 2.792 1.853) 7.937 8.466 ( 4.966 -1.290 -0.349) 5.143 8.466 ( 4.966 1.290 -0.349) 5.143 9.150 ( 4.518 -0.749 -4.192) 6.209 9.150 ( 4.518 0.749 -4.192) 6.209 9.694 ( -1.094 -1.035 2.185) 2.653 9.694 ( -1.094 1.035 2.185) 2.653 9.957 ( 5.047 -0.816 -2.446) 5.667 9.957 ( 5.047 0.816 -2.446) 5.667 10.470 ( -2.713 -1.593 2.135) 3.802 10.470 ( -2.713 1.593 2.135) 3.802 11.365 ( 5.790 -0.945 -2.413) 6.343 11.365 ( 5.790 0.945 -2.413) 6.343 11.802 ( 1.379 -0.707 3.974) 4.266 11.802 ( 1.379 0.707 3.974) 4.266 12.597 ( -15.358 -1.038 -3.268) 15.736 12.597 ( -15.358 1.038 -3.268) 15.736 12.825 ( 11.528 -1.524 -1.043) 11.675 12.825 ( 11.528 1.524 -1.043) 11.675 13.322 ( -18.847 -5.008 0.907) 19.522 13.322 ( -18.847 5.008 0.907) 19.522 13.460 ( -20.791 -1.619 0.509) 20.860 13.460 ( -20.791 1.619 0.509) 20.860 14.274 ( -24.280 -0.401 -0.154) 24.283 14.274 ( -24.280 0.401 -0.154) 24.283 14.968 ( -8.182 -0.110 -0.043) 8.183 14.968 ( -8.182 0.110 -0.043) 8.183 15.786 ( 31.326 -2.474 0.319) 31.425 15.786 ( 31.326 2.474 0.319) 31.425 17.872 ( 33.412 -1.498 -1.499) 33.479 17.872 ( 33.412 1.498 -1.499) 33.479 19.046 ( -26.881 -0.296 -0.257) 26.883 19.046 ( -26.881 0.296 -0.257) 26.883 21.399 ( -9.196 -0.747 0.007) 9.226 21.399 ( -9.196 0.747 0.007) 9.226 22.328 ( -0.074 -3.469 -0.914) 3.588 22.328 ( -0.074 3.469 -0.914) 3.588 22.692 ( 15.411 -3.463 0.856) 15.819 22.692 ( 15.411 3.463 0.856) 15.819 27.728 ( 0.089 -0.109 0.074) 0.159 27.728 ( 0.089 0.109 0.074) 0.159 28.222 ( -4.943 -0.111 0.365) 4.958 28.222 ( -4.943 0.111 0.365) 4.958 29.013 ( 21.195 -0.261 -0.311) 21.199 29.013 ( 21.195 0.261 -0.311) 21.199 29.255 ( 22.235 -0.307 -0.289) 22.239 29.255 ( 22.235 0.307 -0.289) 22.239 29.989 ( 5.381 -0.493 0.828) 5.467 29.989 ( 5.381 0.493 0.828) 5.467 30.477 ( 8.030 -2.100 0.957) 8.355 30.477 ( 8.030 2.100 0.957) 8.355 31.400 ( -2.450 -1.395 1.943) 3.424 31.400 ( -2.450 1.395 1.943) 3.424 31.818 ( -6.410 -3.995 -2.816) 8.061 31.818 ( -6.410 3.995 -2.816) 8.061 32.523 ( -10.456 -5.775 -0.470) 11.954 32.523 ( -10.456 5.775 -0.470) 11.954 32.741 ( -21.438 -4.414 0.998) 21.911 32.741 ( -21.438 4.414 0.998) 21.911 ======================= Grid point 187 (94/96) ======================= q-point: ( 0.30 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( -0.749 -3.104 -2.648) 4.148 1.522 ( -0.749 3.104 -2.648) 4.148 1.645 ( -0.118 -2.056 -1.522) 2.561 1.645 ( -0.118 2.056 -1.522) 2.561 1.714 ( 2.445 -2.898 0.399) 3.813 1.714 ( 2.445 2.898 0.399) 3.813 2.026 ( 7.516 -5.062 3.505) 9.716 2.026 ( 7.516 5.062 3.505) 9.716 2.157 ( 3.826 -1.059 -2.145) 4.512 2.157 ( 3.826 1.059 -2.145) 4.512 2.391 ( 4.138 -8.299 1.484) 9.391 2.391 ( 4.138 8.299 1.484) 9.391 2.613 ( -1.079 -3.222 -2.305) 4.106 2.613 ( -1.079 3.222 -2.305) 4.106 3.009 ( 3.092 -6.096 1.128) 6.928 3.009 ( 3.092 6.096 1.128) 6.928 3.106 ( 5.572 -2.418 -5.764) 8.374 3.106 ( 5.572 2.418 -5.764) 8.373 3.467 ( 2.661 -5.073 -0.201) 5.732 3.467 ( 2.661 5.073 -0.201) 5.732 3.645 ( -5.101 -3.075 0.440) 5.973 3.645 ( -5.101 3.075 0.440) 5.973 3.975 ( 6.391 -3.728 -3.221) 8.070 3.975 ( 6.391 3.728 -3.221) 8.070 4.469 ( 9.957 -4.523 3.675) 11.538 4.469 ( 9.957 4.523 3.675) 11.538 4.740 ( -3.594 -3.949 3.655) 6.471 4.740 ( -3.594 3.949 3.655) 6.471 5.208 ( 4.385 -2.893 2.244) 5.713 5.208 ( 4.385 2.893 2.244) 5.713 5.462 ( 1.181 -8.237 3.557) 9.050 5.462 ( 1.181 8.237 3.557) 9.050 5.514 ( 1.044 -3.539 1.630) 4.033 5.514 ( 1.044 3.539 1.630) 4.033 5.726 ( 0.436 -4.147 2.903) 5.080 5.726 ( 0.436 4.147 2.903) 5.080 6.144 ( 8.853 -9.542 -6.083) 14.368 6.144 ( 8.853 9.542 -6.083) 14.368 6.411 ( 1.799 -2.030 1.244) 2.984 6.411 ( 1.799 2.030 1.244) 2.984 6.727 ( -1.350 -5.742 -2.210) 6.299 6.727 ( -1.350 5.742 -2.210) 6.299 6.979 ( 15.680 -4.685 -0.511) 16.373 6.979 ( 15.680 4.685 -0.511) 16.373 7.315 ( 0.216 -4.078 -1.567) 4.374 7.315 ( 0.216 4.078 -1.567) 4.374 8.171 ( 11.810 -1.783 3.795) 12.532 8.171 ( 11.810 1.783 3.795) 12.532 8.288 ( 3.396 -0.897 -2.338) 4.220 8.288 ( 3.396 0.897 -2.338) 4.220 8.614 ( 8.725 -3.480 -0.853) 9.432 8.614 ( 8.725 3.480 -0.853) 9.432 9.284 ( 7.392 -0.498 -3.086) 8.025 9.284 ( 7.392 0.498 -3.086) 8.025 9.738 ( 6.524 -0.139 0.647) 6.558 9.738 ( 6.524 0.139 0.647) 6.558 9.990 ( -0.658 -0.891 -0.433) 1.189 9.990 ( -0.658 0.891 -0.433) 1.189 10.503 ( 6.220 -2.473 1.640) 6.891 10.503 ( 6.220 2.473 1.640) 6.891 11.546 ( 10.924 -0.460 -2.235) 11.160 11.546 ( 10.924 0.460 -2.235) 11.160 11.840 ( 2.386 -1.169 4.698) 5.398 11.840 ( 2.386 1.169 4.698) 5.398 12.219 ( -20.377 -1.296 -3.911) 20.789 12.219 ( -20.377 1.296 -3.911) 20.789 12.636 ( -30.317 -0.116 0.492) 30.321 12.636 ( -30.317 0.116 0.492) 30.321 12.993 ( -14.270 -4.455 1.178) 14.995 12.993 ( -14.270 4.455 1.178) 14.995 13.207 ( -6.852 -1.739 -1.502) 7.227 13.207 ( -6.852 1.739 -1.502) 7.227 13.827 ( -12.635 -0.191 -0.059) 12.637 13.827 ( -12.635 0.191 -0.059) 12.637 14.753 ( -12.080 -0.147 0.182) 12.082 14.753 ( -12.080 0.147 0.182) 12.082 16.465 ( 32.879 -2.432 -0.149) 32.969 16.465 ( 32.879 2.432 -0.149) 32.969 18.452 ( -6.104 -0.166 -0.623) 6.138 18.452 ( -6.104 0.166 -0.623) 6.138 18.683 ( 19.951 -0.796 -0.593) 19.976 18.683 ( 19.951 0.796 -0.593) 19.976 21.127 ( -17.546 -0.715 0.039) 17.561 21.127 ( -17.546 0.715 0.039) 17.561 22.366 ( 4.150 -1.871 -0.748) 4.614 22.366 ( 4.150 1.871 -0.748) 4.614 22.890 ( 3.731 -2.090 0.832) 4.356 22.890 ( 3.731 2.090 0.832) 4.356 27.739 ( 1.030 -0.145 0.079) 1.044 27.739 ( 1.030 0.145 0.079) 1.044 28.106 ( -6.105 -0.145 0.225) 6.110 28.106 ( -6.105 0.145 0.225) 6.110 29.376 ( 15.858 -0.599 -0.908) 15.896 29.376 ( 15.858 0.599 -0.908) 15.896 29.765 ( 23.591 -0.781 0.081) 23.604 29.765 ( 23.591 0.781 0.081) 23.604 30.104 ( 6.101 -0.986 1.080) 6.273 30.104 ( 6.101 0.986 1.080) 6.273 30.668 ( 10.226 -1.933 1.554) 10.522 30.668 ( 10.226 1.933 1.554) 10.522 31.341 ( -3.743 -1.960 0.802) 4.301 31.341 ( -3.743 1.960 0.802) 4.301 31.662 ( -8.404 -3.305 -2.205) 9.295 31.662 ( -8.404 3.305 -2.205) 9.295 32.239 ( -15.828 -6.936 -1.442) 17.342 32.239 ( -15.828 6.936 -1.442) 17.342 32.384 ( -13.195 -5.652 1.894) 14.479 32.384 ( -13.195 5.652 1.894) 14.479 ======================= Grid point 189 (95/96) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 0.595 -2.331 -1.500) 2.835 1.522 ( 0.595 2.331 -1.500) 2.835 1.635 ( -0.742 -0.381 -0.866) 1.202 1.635 ( -0.742 0.381 -0.866) 1.202 1.845 ( 9.036 -4.534 -0.209) 10.112 1.845 ( 9.036 4.534 -0.209) 10.112 2.065 ( -0.825 -3.571 0.992) 3.797 2.065 ( -0.825 3.571 0.992) 3.797 2.259 ( 3.821 -2.804 -0.721) 4.794 2.259 ( 3.821 2.804 -0.721) 4.794 2.437 ( -0.310 -5.022 -2.242) 5.508 2.437 ( -0.310 5.022 -2.242) 5.508 2.664 ( 5.846 -5.236 4.245) 8.922 2.664 ( 5.846 5.236 4.245) 8.922 2.983 ( -4.230 -7.476 -2.790) 9.032 2.983 ( -4.230 7.476 -2.790) 9.032 3.261 ( 4.647 -2.424 -5.076) 7.296 3.261 ( 4.647 2.424 -5.076) 7.296 3.473 ( -0.143 -1.776 0.294) 1.806 3.473 ( -0.143 1.776 0.294) 1.806 3.555 ( -1.226 -2.374 0.848) 2.803 3.555 ( -1.226 2.374 0.848) 2.804 4.048 ( 0.362 -0.547 -0.829) 1.057 4.048 ( 0.362 0.547 -0.829) 1.057 4.593 ( 3.761 -6.286 -2.696) 7.806 4.593 ( 3.761 6.286 -2.696) 7.806 4.714 ( 1.040 -4.158 6.684) 7.940 4.714 ( 1.040 4.158 6.684) 7.940 5.207 ( -2.031 -7.004 3.559) 8.114 5.207 ( -2.031 7.004 3.559) 8.114 5.411 ( -4.399 -0.682 -1.255) 4.625 5.411 ( -4.399 0.682 -1.255) 4.625 5.579 ( 1.311 -3.091 3.941) 5.177 5.579 ( 1.311 3.091 3.941) 5.177 5.765 ( 2.935 -2.343 2.453) 4.486 5.765 ( 2.935 2.343 2.453) 4.486 6.210 ( 0.408 -8.657 -3.600) 9.385 6.210 ( 0.408 8.657 -3.600) 9.385 6.427 ( -1.611 -7.162 -0.045) 7.341 6.427 ( -1.611 7.162 -0.045) 7.341 6.811 ( 9.175 -4.687 -0.541) 10.317 6.811 ( 9.175 4.687 -0.541) 10.317 7.136 ( -1.235 -3.911 0.193) 4.105 7.136 ( -1.235 3.911 0.193) 4.105 7.475 ( 12.336 -1.193 -2.990) 12.749 7.475 ( 12.336 1.193 -2.990) 12.749 8.240 ( -1.160 -1.071 1.367) 2.088 8.240 ( -1.160 1.071 1.367) 2.088 8.497 ( 11.280 -0.189 -0.187) 11.283 8.497 ( 11.280 0.189 -0.187) 11.283 8.792 ( 8.061 -2.617 -1.422) 8.593 8.792 ( 8.061 2.617 -1.422) 8.593 9.417 ( 5.695 -0.475 -0.969) 5.796 9.417 ( 5.695 0.475 -0.969) 5.796 9.809 ( -2.847 -0.659 -0.287) 2.936 9.809 ( -2.847 0.659 -0.287) 2.936 10.184 ( 23.518 -0.238 0.001) 23.520 10.184 ( 23.518 0.238 0.001) 23.520 10.681 ( 9.733 -2.431 1.548) 10.151 10.681 ( 9.733 2.431 1.548) 10.151 11.641 ( -18.070 -0.648 -1.454) 18.140 11.641 ( -18.070 0.648 -1.454) 18.140 11.767 ( -14.111 -2.823 1.168) 14.438 11.767 ( -14.111 2.823 1.168) 14.438 11.957 ( 6.810 -3.680 1.033) 7.810 11.957 ( 6.810 3.680 1.033) 7.810 12.100 ( -9.051 -0.563 -1.675) 9.222 12.100 ( -9.051 0.563 -1.675) 9.222 12.667 ( -16.699 -3.450 0.928) 17.077 12.667 ( -16.699 3.450 0.928) 17.077 12.848 ( -22.547 -1.446 -0.787) 22.607 12.848 ( -22.547 1.446 -0.787) 22.607 13.893 ( 12.732 -0.325 -0.500) 12.746 13.893 ( 12.732 0.325 -0.500) 12.746 14.486 ( -13.922 -0.137 0.347) 13.927 14.486 ( -13.922 0.137 0.347) 13.927 17.088 ( 27.835 -1.416 -0.534) 27.876 17.088 ( 27.835 1.416 -0.534) 27.876 18.055 ( -21.203 -0.105 0.380) 21.207 18.055 ( -21.203 0.105 0.380) 21.207 19.384 ( 36.036 -0.380 -0.812) 36.047 19.384 ( 36.036 0.380 -0.812) 36.047 20.683 ( -25.677 -0.566 0.149) 25.684 20.683 ( -25.677 0.566 0.149) 25.684 22.497 ( 8.350 -0.746 -0.272) 8.388 22.497 ( 8.350 0.746 -0.272) 8.388 22.863 ( -5.586 -1.265 0.424) 5.743 22.863 ( -5.586 1.265 0.424) 5.743 27.772 ( 2.211 -0.157 0.061) 2.217 27.772 ( 2.211 0.157 0.061) 2.217 27.984 ( -5.459 -0.159 0.063) 5.461 27.984 ( -5.459 0.159 0.063) 5.461 29.666 ( 11.920 -0.489 -1.065) 11.977 29.666 ( 11.920 0.489 -1.065) 11.977 30.037 ( 2.284 -0.776 1.007) 2.614 30.037 ( 2.284 0.776 1.007) 2.614 30.345 ( 17.347 -1.156 0.668) 17.398 30.345 ( 17.347 1.156 0.668) 17.398 30.863 ( 6.837 -0.524 1.004) 6.931 30.863 ( 6.837 0.524 1.004) 6.931 31.229 ( -6.353 -2.723 -0.869) 6.966 31.229 ( -6.353 2.723 -0.869) 6.966 31.500 ( -6.899 -1.688 -0.312) 7.110 31.500 ( -6.899 1.688 -0.312) 7.110 31.995 ( -6.478 -2.879 -0.785) 7.133 31.995 ( -6.478 2.879 -0.785) 7.133 32.149 ( -10.059 -2.549 0.899) 10.415 32.149 ( -10.059 2.549 0.899) 10.415 ======================= Grid point 191 (96/96) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -0.000 0.000 0.000) 0.000 1.531 ( -0.000 0.000 0.000) 0.000 1.624 ( -0.000 0.000 -0.000) 0.000 1.624 ( -0.000 0.000 0.000) 0.000 1.983 ( -0.000 -0.000 0.000) 0.000 1.983 ( -0.000 0.000 -0.000) 0.000 2.034 ( 0.000 -0.000 0.000) 0.000 2.034 ( 0.000 0.000 0.000) 0.000 2.301 ( -0.000 -0.000 0.000) 0.000 2.301 ( -0.000 0.000 0.000) 0.000 2.419 ( -0.000 0.000 -0.000) 0.000 2.419 ( -0.000 0.000 0.000) 0.000 2.784 ( -0.000 0.000 0.000) 0.000 2.784 ( 0.000 0.000 0.000) 0.000 2.863 ( -0.000 0.000 -0.000) 0.000 2.863 ( 0.000 -0.000 0.000) 0.000 3.304 ( -0.000 -0.000 0.000) 0.000 3.304 ( -0.000 0.000 0.000) 0.000 3.456 ( 0.000 -0.000 -0.000) 0.000 3.456 ( -0.000 0.000 0.000) 0.000 3.588 ( -0.000 0.000 0.000) 0.000 3.588 ( -0.000 0.000 0.000) 0.000 4.027 ( 0.000 0.000 0.000) 0.000 4.027 ( -0.000 0.000 0.000) 0.000 4.673 ( -0.000 -0.000 -0.000) 0.000 4.673 ( -0.000 0.000 -0.000) 0.000 4.703 ( -0.000 -0.000 0.000) 0.000 4.703 ( -0.000 0.000 0.000) 0.000 5.192 ( -0.000 -0.000 -0.000) 0.000 5.192 ( 0.000 0.000 0.000) 0.000 5.343 ( -0.000 -0.000 -0.000) 0.000 5.343 ( -0.000 0.000 0.000) 0.000 5.584 ( -0.000 0.000 -0.000) 0.000 5.584 ( -0.000 0.000 0.000) 0.000 5.799 ( -0.000 -0.000 0.000) 0.000 5.799 ( -0.000 0.000 0.000) 0.000 6.215 ( 0.000 -0.000 0.000) 0.000 6.215 ( -0.000 0.000 0.000) 0.000 6.397 ( -0.000 -0.000 0.000) 0.000 6.397 ( -0.000 0.000 -0.000) 0.000 6.958 ( -0.000 -0.000 -0.000) 0.000 6.958 ( -0.000 0.000 -0.000) 0.000 7.077 ( -0.000 0.000 0.000) 0.000 7.077 ( -0.000 0.000 0.000) 0.000 7.616 ( -0.000 0.000 0.000) 0.000 7.616 ( 0.000 0.000 0.000) 0.000 8.222 ( -0.000 0.000 0.000) 0.000 8.222 ( -0.000 0.000 0.000) 0.000 8.617 ( -0.000 0.000 -0.000) 0.000 8.617 ( -0.000 0.000 0.000) 0.000 8.887 ( -0.000 0.000 0.000) 0.000 8.887 ( -0.000 0.000 0.000) 0.000 9.493 ( -0.000 -0.000 0.000) 0.000 9.493 ( 0.000 0.000 0.000) 0.000 9.755 ( -0.000 0.000 0.000) 0.000 9.755 ( -0.000 0.000 0.000) 0.000 10.648 ( -0.000 0.000 0.000) 0.000 10.648 ( 0.000 0.000 0.000) 0.000 10.840 ( -0.000 0.000 0.000) 0.000 10.840 ( -0.000 0.000 0.000) 0.000 11.100 ( -0.000 0.000 0.000) 0.000 11.100 ( 0.000 0.000 0.000) 0.000 11.610 ( -0.000 0.000 0.000) 0.000 11.610 ( -0.000 0.000 0.000) 0.000 12.111 ( -0.000 -0.000 -0.000) 0.000 12.111 ( -0.000 0.000 0.000) 0.000 12.158 ( 0.000 -0.000 0.000) 0.000 12.158 ( -0.000 0.000 0.000) 0.000 12.400 ( -0.000 0.000 0.000) 0.000 12.400 ( 0.000 0.000 0.000) 0.000 12.554 ( -0.000 0.000 0.000) 0.000 12.554 ( 0.000 0.000 0.000) 0.000 14.173 ( -0.000 0.000 0.000) 0.000 14.173 ( 0.000 0.000 0.000) 0.000 14.203 ( -0.000 0.000 0.000) 0.000 14.203 ( 0.000 0.000 0.000) 0.000 17.589 ( 0.000 0.000 0.000) 0.000 17.589 ( 0.000 0.000 0.000) 0.000 17.625 ( -0.000 0.000 0.000) 0.000 17.625 ( -0.000 0.000 0.000) 0.000 20.072 ( -0.000 0.000 0.000) 0.000 20.072 ( 0.000 0.000 0.000) 0.000 20.104 ( -0.000 0.000 0.000) 0.000 20.104 ( 0.000 0.000 0.000) 0.000 22.658 ( -0.000 0.000 0.000) 0.000 22.658 ( -0.000 0.000 0.000) 0.000 22.727 ( -0.000 0.000 0.000) 0.000 22.727 ( -0.000 0.000 0.000) 0.000 27.809 ( -0.000 0.000 0.000) 0.000 27.809 ( -0.000 0.000 0.000) 0.000 27.913 ( 0.000 0.000 0.000) 0.000 27.913 ( -0.000 0.000 0.000) 0.000 29.811 ( -0.000 0.000 0.000) 0.000 29.811 ( -0.000 0.000 0.000) 0.000 30.028 ( -0.000 0.000 0.000) 0.000 30.028 ( -0.000 0.000 0.000) 0.000 30.599 ( -0.000 0.000 0.000) 0.000 30.599 ( -0.000 0.000 0.000) 0.000 30.869 ( -0.000 0.000 0.000) 0.000 30.869 ( -0.000 0.000 0.000) 0.000 31.188 ( -0.000 -0.000 0.000) 0.000 31.188 ( -0.000 0.000 0.000) 0.000 31.405 ( -0.000 0.000 0.000) 0.000 31.405 ( -0.000 0.000 0.000) 0.000 31.968 ( -0.000 0.000 -0.000) 0.000 31.968 ( 0.000 0.000 0.000) 0.000 32.007 ( -0.000 0.000 0.000) 0.000 32.007 ( -0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/25920 10.0 95.239 83.620 60.861 0.000 -7.850 0.000 3/25920 20.0 21.229 15.220 11.429 0.000 -1.228 0.000 3/25920 30.0 10.093 6.874 5.403 0.000 -0.343 0.000 3/25920 40.0 6.549 4.374 3.540 0.000 -0.131 0.000 3/25920 50.0 4.875 3.208 2.659 0.000 -0.059 0.000 3/25920 60.0 3.916 2.540 2.147 0.000 -0.028 0.000 3/25920 70.0 3.306 2.109 1.810 0.000 -0.012 0.000 3/25920 80.0 2.894 1.808 1.571 0.000 -0.003 0.000 3/25920 90.0 2.606 1.585 1.392 0.000 0.002 0.000 3/25920 100.0 2.402 1.414 1.252 0.000 0.005 0.000 3/25920 110.0 2.255 1.278 1.140 0.000 0.007 0.000 3/25920 120.0 2.149 1.167 1.048 0.000 0.008 0.000 3/25920 130.0 2.072 1.075 0.970 0.000 0.009 0.000 3/25920 140.0 2.015 0.996 0.904 0.000 0.009 0.000 3/25920 150.0 1.971 0.930 0.847 0.000 0.009 0.000 3/25920 160.0 1.938 0.871 0.797 0.000 0.009 0.000 3/25920 170.0 1.911 0.821 0.753 0.000 0.009 0.000 3/25920 180.0 1.888 0.776 0.715 0.000 0.009 0.000 3/25920 190.0 1.868 0.736 0.680 0.000 0.009 0.000 3/25920 200.0 1.849 0.701 0.649 0.000 0.009 0.000 3/25920 210.0 1.831 0.669 0.621 0.000 0.009 0.000 3/25920 220.0 1.814 0.640 0.596 0.000 0.009 0.000 3/25920 230.0 1.797 0.614 0.573 0.000 0.008 0.000 3/25920 240.0 1.780 0.590 0.552 0.000 0.008 0.000 3/25920 250.0 1.762 0.568 0.532 0.000 0.008 0.000 3/25920 260.0 1.744 0.548 0.515 0.000 0.008 0.000 3/25920 270.0 1.726 0.530 0.498 0.000 0.008 0.000 3/25920 280.0 1.708 0.513 0.483 0.000 0.008 0.000 3/25920 290.0 1.690 0.497 0.469 0.000 0.008 0.000 3/25920 300.0 1.671 0.482 0.456 0.000 0.007 0.000 3/25920 310.0 1.652 0.468 0.443 0.000 0.007 0.000 3/25920 320.0 1.633 0.455 0.432 0.000 0.007 0.000 3/25920 330.0 1.614 0.443 0.421 0.000 0.007 0.000 3/25920 340.0 1.595 0.432 0.410 0.000 0.007 0.000 3/25920 350.0 1.576 0.421 0.401 0.000 0.007 0.000 3/25920 360.0 1.557 0.411 0.392 0.000 0.007 0.000 3/25920 370.0 1.538 0.401 0.383 0.000 0.007 0.000 3/25920 380.0 1.520 0.392 0.375 0.000 0.007 0.000 3/25920 390.0 1.501 0.384 0.367 0.000 0.007 0.000 3/25920 400.0 1.482 0.375 0.359 0.000 0.007 0.000 3/25920 410.0 1.464 0.368 0.352 0.000 0.006 0.000 3/25920 420.0 1.446 0.360 0.345 0.000 0.006 0.000 3/25920 430.0 1.428 0.353 0.338 0.000 0.006 0.000 3/25920 440.0 1.410 0.346 0.332 0.000 0.006 0.000 3/25920 450.0 1.393 0.339 0.326 0.000 0.006 0.000 3/25920 460.0 1.375 0.333 0.320 0.000 0.006 0.000 3/25920 470.0 1.358 0.327 0.315 0.000 0.006 0.000 3/25920 480.0 1.342 0.321 0.309 0.000 0.006 0.000 3/25920 490.0 1.325 0.316 0.304 0.000 0.006 0.000 3/25920 500.0 1.309 0.310 0.299 0.000 0.006 0.000 3/25920 510.0 1.293 0.305 0.294 0.000 0.006 0.000 3/25920 520.0 1.277 0.300 0.289 0.000 0.006 0.000 3/25920 530.0 1.261 0.295 0.285 0.000 0.006 0.000 3/25920 540.0 1.246 0.290 0.280 0.000 0.006 0.000 3/25920 550.0 1.231 0.286 0.276 0.000 0.006 0.000 3/25920 560.0 1.216 0.281 0.272 0.000 0.005 0.000 3/25920 570.0 1.202 0.277 0.268 0.000 0.005 0.000 3/25920 580.0 1.188 0.273 0.264 0.000 0.005 0.000 3/25920 590.0 1.174 0.269 0.260 0.000 0.005 0.000 3/25920 600.0 1.160 0.265 0.256 0.000 0.005 0.000 3/25920 610.0 1.146 0.261 0.253 0.000 0.005 0.000 3/25920 620.0 1.133 0.257 0.249 0.000 0.005 0.000 3/25920 630.0 1.120 0.254 0.246 0.000 0.005 0.000 3/25920 640.0 1.107 0.250 0.243 0.000 0.005 0.000 3/25920 650.0 1.095 0.247 0.239 0.000 0.005 0.000 3/25920 660.0 1.082 0.244 0.236 0.000 0.005 0.000 3/25920 670.0 1.070 0.240 0.233 0.000 0.005 0.000 3/25920 680.0 1.058 0.237 0.230 0.000 0.005 0.000 3/25920 690.0 1.047 0.234 0.227 0.000 0.005 0.000 3/25920 700.0 1.035 0.231 0.224 0.000 0.005 0.000 3/25920 710.0 1.024 0.228 0.222 0.000 0.005 0.000 3/25920 720.0 1.013 0.225 0.219 0.000 0.005 0.000 3/25920 730.0 1.002 0.223 0.216 0.000 0.005 0.000 3/25920 740.0 0.992 0.220 0.214 0.000 0.005 0.000 3/25920 750.0 0.981 0.217 0.211 0.000 0.005 0.000 3/25920 760.0 0.971 0.215 0.209 0.000 0.004 0.000 3/25920 770.0 0.961 0.212 0.206 0.000 0.004 0.000 3/25920 780.0 0.951 0.210 0.204 0.000 0.004 0.000 3/25920 790.0 0.941 0.207 0.202 0.000 0.004 0.000 3/25920 800.0 0.932 0.205 0.199 0.000 0.004 0.000 3/25920 810.0 0.922 0.203 0.197 0.000 0.004 0.000 3/25920 820.0 0.913 0.200 0.195 0.000 0.004 0.000 3/25920 830.0 0.904 0.198 0.193 0.000 0.004 0.000 3/25920 840.0 0.895 0.196 0.191 0.000 0.004 0.000 3/25920 850.0 0.887 0.194 0.189 0.000 0.004 0.000 3/25920 860.0 0.878 0.192 0.187 0.000 0.004 0.000 3/25920 870.0 0.870 0.190 0.185 0.000 0.004 0.000 3/25920 880.0 0.861 0.188 0.183 0.000 0.004 0.000 3/25920 890.0 0.853 0.186 0.181 0.000 0.004 0.000 3/25920 900.0 0.845 0.184 0.179 0.000 0.004 0.000 3/25920 910.0 0.837 0.182 0.178 0.000 0.004 0.000 3/25920 920.0 0.830 0.180 0.176 0.000 0.004 0.000 3/25920 930.0 0.822 0.179 0.174 0.000 0.004 0.000 3/25920 940.0 0.814 0.177 0.172 0.000 0.004 0.000 3/25920 950.0 0.807 0.175 0.171 0.000 0.004 0.000 3/25920 960.0 0.800 0.173 0.169 0.000 0.004 0.000 3/25920 970.0 0.793 0.172 0.167 0.000 0.004 0.000 3/25920 980.0 0.786 0.170 0.166 0.000 0.004 0.000 3/25920 990.0 0.779 0.169 0.164 0.000 0.004 0.000 3/25920 1000.0 0.772 0.167 0.163 0.000 0.004 0.000 3/25920 Thermal conductivity related properties were written into "kappa-m1046.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:00:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|