----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 01:03:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 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 9.147840502138687 0.000000000000000 0.000000000000000 b 0.000000000000000 6.796119249999999 0.000000000000000 c -0.912134923077024 0.000000000000000 6.571828605252555 Atomic positions (fractional): *1 Tm 0.96787489734064 0.11900245111947 0.27240519888129 168.934 2 Tm 0.96787489734064 0.38099754888053 0.77240519888129 168.934 *3 Tm 0.65252967482914 0.14433094423082 0.52557202887866 168.934 4 Tm 0.65252967482914 0.35566905576918 0.02557202887866 168.934 5 Tm 0.34747032517086 0.64433094423082 0.97442797112134 168.934 6 Tm 0.34747032517086 0.85566905576918 0.47442797112134 168.934 7 Tm 0.03212510265936 0.61900245111947 0.22759480111871 168.934 8 Tm 0.03212510265936 0.88099754888053 0.72759480111871 168.934 *9 Ge 0.69973838234510 0.60398677666131 0.52035038733056 72.640 10 Ge 0.69973838234510 0.89601322333869 0.02035038733056 72.640 11 Ge 0.30026161765490 0.10398677666131 0.97964961266944 72.640 12 Ge 0.30026161765490 0.39601322333869 0.47964961266944 72.640 *13 O 0.89415899801649 0.85301809754825 0.03218476565882 15.999 *14 O 0.89530787012566 0.38041811528680 0.08716336297904 15.999 15 O 0.89415899801649 0.64698190245175 0.53218476565882 15.999 16 O 0.89530787012566 0.11958188471320 0.58716336297904 15.999 *17 O 0.71961946081136 0.07033326855690 0.22618948566450 15.999 *18 O 0.59670876543380 0.68185445554245 0.01476059045464 15.999 19 O 0.71961946081136 0.42966673144309 0.72618948566450 15.999 *20 O 0.63509024395279 0.42541236544674 0.34128393732213 15.999 21 O 0.59670876543380 0.81814554445755 0.51476059045464 15.999 22 O 0.63509024395279 0.07458763455326 0.84128393732213 15.999 23 O 0.36490975604721 0.92541236544674 0.15871606267787 15.999 24 O 0.40329123456620 0.18185445554245 0.48523940954536 15.999 25 O 0.36490975604721 0.57458763455326 0.65871606267787 15.999 26 O 0.28038053918864 0.57033326855691 0.27381051433551 15.999 27 O 0.40329123456620 0.31814554445755 0.98523940954536 15.999 28 O 0.28038053918864 0.92966673144309 0.77381051433550 15.999 29 O 0.10469212987434 0.88041811528680 0.41283663702097 15.999 30 O 0.10584100198351 0.35301809754825 0.46781523434118 15.999 31 O 0.10469212987434 0.61958188471320 0.91283663702096 15.999 32 O 0.10584100198351 0.14698190245175 0.96781523434118 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.147840502138687 0.000000000000000 0.000000000000000 b 0.000000000000000 6.796119249999999 0.000000000000000 c -0.912134923077024 0.000000000000000 6.571828605252555 Atomic positions (fractional): *1 Tm 0.96787489734064 0.11900245111947 0.27240519888129 168.934 > 1 2 Tm 0.96787489734064 0.38099754888053 0.77240519888129 168.934 > 2 *3 Tm 0.65252967482914 0.14433094423082 0.52557202887866 168.934 > 3 4 Tm 0.65252967482914 0.35566905576918 0.02557202887866 168.934 > 4 5 Tm 0.34747032517086 0.64433094423082 0.97442797112134 168.934 > 5 6 Tm 0.34747032517086 0.85566905576918 0.47442797112134 168.934 > 6 7 Tm 0.03212510265936 0.61900245111947 0.22759480111871 168.934 > 7 8 Tm 0.03212510265936 0.88099754888053 0.72759480111871 168.934 > 8 *9 Ge 0.69973838234510 0.60398677666131 0.52035038733056 72.640 > 9 10 Ge 0.69973838234510 0.89601322333869 0.02035038733056 72.640 > 10 11 Ge 0.30026161765490 0.10398677666131 0.97964961266944 72.640 > 11 12 Ge 0.30026161765490 0.39601322333869 0.47964961266944 72.640 > 12 *13 O 0.89415899801649 0.85301809754825 0.03218476565882 15.999 > 13 *14 O 0.89530787012566 0.38041811528680 0.08716336297904 15.999 > 14 15 O 0.89415899801649 0.64698190245175 0.53218476565882 15.999 > 15 16 O 0.89530787012566 0.11958188471320 0.58716336297904 15.999 > 16 *17 O 0.71961946081136 0.07033326855690 0.22618948566450 15.999 > 17 *18 O 0.59670876543380 0.68185445554245 0.01476059045464 15.999 > 18 19 O 0.71961946081136 0.42966673144309 0.72618948566450 15.999 > 19 *20 O 0.63509024395279 0.42541236544674 0.34128393732213 15.999 > 20 21 O 0.59670876543380 0.81814554445755 0.51476059045464 15.999 > 21 22 O 0.63509024395279 0.07458763455326 0.84128393732213 15.999 > 22 23 O 0.36490975604721 0.92541236544674 0.15871606267787 15.999 > 23 24 O 0.40329123456620 0.18185445554245 0.48523940954536 15.999 > 24 25 O 0.36490975604721 0.57458763455326 0.65871606267787 15.999 > 25 26 O 0.28038053918864 0.57033326855691 0.27381051433551 15.999 > 26 27 O 0.40329123456620 0.31814554445755 0.98523940954536 15.999 > 27 28 O 0.28038053918864 0.92966673144309 0.77381051433550 15.999 > 28 29 O 0.10469212987434 0.88041811528680 0.41283663702097 15.999 > 29 30 O 0.10584100198351 0.35301809754825 0.46781523434118 15.999 > 30 31 O 0.10469212987434 0.61958188471320 0.91283663702096 15.999 > 31 32 O 0.10584100198351 0.14698190245175 0.96781523434118 15.999 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.147840502138687 0.000000000000000 0.000000000000000 b 0.000000000000000 13.592238499999999 0.000000000000000 c -1.824269846154048 0.000000000000000 13.143657210505109 Atomic positions (fractional): *1 Tm 0.96787489734064 0.05950122555973 0.13620259944065 168.934 > 1 2 Tm 0.96787489734064 0.55950122555973 0.13620259944065 168.934 > 1 3 Tm 0.96787489734064 0.05950122555973 0.63620259944065 168.934 > 1 4 Tm 0.96787489734064 0.55950122555973 0.63620259944065 168.934 > 1 5 Tm 0.96787489734064 0.19049877444027 0.38620259944065 168.934 > 2 6 Tm 0.96787489734064 0.69049877444027 0.38620259944065 168.934 > 2 7 Tm 0.96787489734064 0.19049877444027 0.88620259944065 168.934 > 2 8 Tm 0.96787489734064 0.69049877444027 0.88620259944065 168.934 > 2 *9 Tm 0.65252967482914 0.07216547211541 0.26278601443933 168.934 > 3 10 Tm 0.65252967482914 0.57216547211541 0.26278601443933 168.934 > 3 11 Tm 0.65252967482914 0.07216547211541 0.76278601443933 168.934 > 3 12 Tm 0.65252967482914 0.57216547211541 0.76278601443933 168.934 > 3 13 Tm 0.65252967482914 0.17783452788459 0.01278601443933 168.934 > 4 14 Tm 0.65252967482914 0.67783452788459 0.01278601443933 168.934 > 4 15 Tm 0.65252967482914 0.17783452788459 0.51278601443933 168.934 > 4 16 Tm 0.65252967482914 0.67783452788459 0.51278601443933 168.934 > 4 17 Tm 0.34747032517086 0.32216547211541 0.48721398556067 168.934 > 5 18 Tm 0.34747032517086 0.82216547211541 0.48721398556067 168.934 > 5 19 Tm 0.34747032517086 0.32216547211541 0.98721398556067 168.934 > 5 20 Tm 0.34747032517086 0.82216547211541 0.98721398556067 168.934 > 5 21 Tm 0.34747032517086 0.42783452788459 0.23721398556067 168.934 > 6 22 Tm 0.34747032517086 0.92783452788459 0.23721398556067 168.934 > 6 23 Tm 0.34747032517086 0.42783452788459 0.73721398556067 168.934 > 6 24 Tm 0.34747032517086 0.92783452788459 0.73721398556067 168.934 > 6 25 Tm 0.03212510265936 0.30950122555973 0.11379740055935 168.934 > 7 26 Tm 0.03212510265936 0.80950122555973 0.11379740055935 168.934 > 7 27 Tm 0.03212510265936 0.30950122555973 0.61379740055935 168.934 > 7 28 Tm 0.03212510265936 0.80950122555973 0.61379740055935 168.934 > 7 29 Tm 0.03212510265936 0.44049877444027 0.36379740055935 168.934 > 8 30 Tm 0.03212510265936 0.94049877444027 0.36379740055935 168.934 > 8 31 Tm 0.03212510265936 0.44049877444027 0.86379740055935 168.934 > 8 32 Tm 0.03212510265936 0.94049877444027 0.86379740055935 168.934 > 8 *33 Ge 0.69973838234510 0.30199338833065 0.26017519366528 72.640 > 9 34 Ge 0.69973838234510 0.80199338833065 0.26017519366528 72.640 > 9 35 Ge 0.69973838234510 0.30199338833065 0.76017519366528 72.640 > 9 36 Ge 0.69973838234510 0.80199338833065 0.76017519366528 72.640 > 9 37 Ge 0.69973838234510 0.44800661166935 0.01017519366528 72.640 > 10 38 Ge 0.69973838234510 0.94800661166935 0.01017519366528 72.640 > 10 39 Ge 0.69973838234510 0.44800661166935 0.51017519366528 72.640 > 10 40 Ge 0.69973838234510 0.94800661166935 0.51017519366528 72.640 > 10 41 Ge 0.30026161765490 0.05199338833065 0.48982480633472 72.640 > 11 42 Ge 0.30026161765490 0.55199338833065 0.48982480633472 72.640 > 11 43 Ge 0.30026161765490 0.05199338833065 0.98982480633472 72.640 > 11 44 Ge 0.30026161765490 0.55199338833065 0.98982480633472 72.640 > 11 45 Ge 0.30026161765490 0.19800661166935 0.23982480633472 72.640 > 12 46 Ge 0.30026161765490 0.69800661166935 0.23982480633472 72.640 > 12 47 Ge 0.30026161765490 0.19800661166935 0.73982480633472 72.640 > 12 48 Ge 0.30026161765490 0.69800661166935 0.73982480633472 72.640 > 12 *49 O 0.89415899801649 0.42650904877412 0.01609238282941 15.999 > 13 50 O 0.89415899801649 0.92650904877412 0.01609238282941 15.999 > 13 51 O 0.89415899801649 0.42650904877412 0.51609238282941 15.999 > 13 52 O 0.89415899801649 0.92650904877412 0.51609238282941 15.999 > 13 *53 O 0.89530787012566 0.19020905764340 0.04358168148952 15.999 > 14 54 O 0.89530787012566 0.69020905764340 0.04358168148952 15.999 > 14 55 O 0.89530787012566 0.19020905764340 0.54358168148952 15.999 > 14 56 O 0.89530787012566 0.69020905764340 0.54358168148952 15.999 > 14 57 O 0.89415899801649 0.32349095122588 0.26609238282941 15.999 > 15 58 O 0.89415899801649 0.82349095122588 0.26609238282941 15.999 > 15 59 O 0.89415899801649 0.32349095122588 0.76609238282941 15.999 > 15 60 O 0.89415899801649 0.82349095122588 0.76609238282941 15.999 > 15 61 O 0.89530787012566 0.05979094235660 0.29358168148952 15.999 > 16 62 O 0.89530787012566 0.55979094235660 0.29358168148952 15.999 > 16 63 O 0.89530787012566 0.05979094235660 0.79358168148952 15.999 > 16 64 O 0.89530787012566 0.55979094235660 0.79358168148952 15.999 > 16 *65 O 0.71961946081136 0.03516663427845 0.11309474283225 15.999 > 17 66 O 0.71961946081136 0.53516663427845 0.11309474283225 15.999 > 17 67 O 0.71961946081136 0.03516663427845 0.61309474283225 15.999 > 17 68 O 0.71961946081136 0.53516663427845 0.61309474283225 15.999 > 17 *69 O 0.59670876543380 0.34092722777122 0.00738029522732 15.999 > 18 70 O 0.59670876543380 0.84092722777122 0.00738029522732 15.999 > 18 71 O 0.59670876543380 0.34092722777122 0.50738029522732 15.999 > 18 72 O 0.59670876543380 0.84092722777122 0.50738029522732 15.999 > 18 73 O 0.71961946081136 0.21483336572155 0.36309474283225 15.999 > 19 74 O 0.71961946081136 0.71483336572155 0.36309474283225 15.999 > 19 75 O 0.71961946081136 0.21483336572155 0.86309474283225 15.999 > 19 76 O 0.71961946081136 0.71483336572155 0.86309474283225 15.999 > 19 *77 O 0.63509024395279 0.21270618272337 0.17064196866107 15.999 > 20 78 O 0.63509024395279 0.71270618272337 0.17064196866107 15.999 > 20 79 O 0.63509024395279 0.21270618272337 0.67064196866107 15.999 > 20 80 O 0.63509024395279 0.71270618272337 0.67064196866107 15.999 > 20 81 O 0.59670876543380 0.40907277222878 0.25738029522732 15.999 > 21 82 O 0.59670876543380 0.90907277222878 0.25738029522732 15.999 > 21 83 O 0.59670876543380 0.40907277222878 0.75738029522732 15.999 > 21 84 O 0.59670876543380 0.90907277222878 0.75738029522732 15.999 > 21 85 O 0.63509024395279 0.03729381727663 0.42064196866107 15.999 > 22 86 O 0.63509024395279 0.53729381727663 0.42064196866107 15.999 > 22 87 O 0.63509024395279 0.03729381727663 0.92064196866107 15.999 > 22 88 O 0.63509024395279 0.53729381727663 0.92064196866107 15.999 > 22 89 O 0.36490975604721 0.46270618272337 0.07935803133893 15.999 > 23 90 O 0.36490975604721 0.96270618272337 0.07935803133893 15.999 > 23 91 O 0.36490975604721 0.46270618272337 0.57935803133893 15.999 > 23 92 O 0.36490975604721 0.96270618272337 0.57935803133893 15.999 > 23 93 O 0.40329123456620 0.09092722777122 0.24261970477268 15.999 > 24 94 O 0.40329123456620 0.59092722777122 0.24261970477268 15.999 > 24 95 O 0.40329123456620 0.09092722777122 0.74261970477268 15.999 > 24 96 O 0.40329123456620 0.59092722777122 0.74261970477268 15.999 > 24 97 O 0.36490975604721 0.28729381727663 0.32935803133893 15.999 > 25 98 O 0.36490975604721 0.78729381727663 0.32935803133893 15.999 > 25 99 O 0.36490975604721 0.28729381727663 0.82935803133893 15.999 > 25 100 O 0.36490975604721 0.78729381727663 0.82935803133893 15.999 > 25 101 O 0.28038053918864 0.28516663427845 0.13690525716775 15.999 > 26 102 O 0.28038053918864 0.78516663427845 0.13690525716775 15.999 > 26 103 O 0.28038053918864 0.28516663427845 0.63690525716775 15.999 > 26 104 O 0.28038053918864 0.78516663427845 0.63690525716775 15.999 > 26 105 O 0.40329123456620 0.15907277222878 0.49261970477268 15.999 > 27 106 O 0.40329123456620 0.65907277222878 0.49261970477268 15.999 > 27 107 O 0.40329123456620 0.15907277222878 0.99261970477268 15.999 > 27 108 O 0.40329123456620 0.65907277222878 0.99261970477268 15.999 > 27 109 O 0.28038053918864 0.46483336572155 0.38690525716775 15.999 > 28 110 O 0.28038053918864 0.96483336572155 0.38690525716775 15.999 > 28 111 O 0.28038053918864 0.46483336572155 0.88690525716775 15.999 > 28 112 O 0.28038053918864 0.96483336572155 0.88690525716775 15.999 > 28 113 O 0.10469212987434 0.44020905764340 0.20641831851048 15.999 > 29 114 O 0.10469212987434 0.94020905764340 0.20641831851048 15.999 > 29 115 O 0.10469212987434 0.44020905764340 0.70641831851048 15.999 > 29 116 O 0.10469212987434 0.94020905764340 0.70641831851048 15.999 > 29 117 O 0.10584100198351 0.17650904877412 0.23390761717059 15.999 > 30 118 O 0.10584100198351 0.67650904877412 0.23390761717059 15.999 > 30 119 O 0.10584100198351 0.17650904877412 0.73390761717059 15.999 > 30 120 O 0.10584100198351 0.67650904877412 0.73390761717059 15.999 > 30 121 O 0.10469212987434 0.30979094235660 0.45641831851048 15.999 > 31 122 O 0.10469212987434 0.80979094235660 0.45641831851048 15.999 > 31 123 O 0.10469212987434 0.30979094235660 0.95641831851048 15.999 > 31 124 O 0.10469212987434 0.80979094235660 0.95641831851048 15.999 > 31 125 O 0.10584100198351 0.07349095122588 0.48390761717059 15.999 > 32 126 O 0.10584100198351 0.57349095122588 0.48390761717059 15.999 > 32 127 O 0.10584100198351 0.07349095122588 0.98390761717059 15.999 > 32 128 O 0.10584100198351 0.57349095122588 0.98390761717059 15.999 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8376418 0.0000000 0.0837026 0.0000000 3.9887516 0.0000000 0.0837027 0.0000000 3.8481289 -------------------------- Born effective charges -------------------------- 1 Tm 3.1926316 0.0818910 0.1992871 -0.1484850 3.7281302 -0.1992339 0.1608345 -0.2728777 3.9022325 2 Tm 3.1926316 -0.0818910 0.1992871 0.1484850 3.7281302 0.1992339 0.1608345 0.2728777 3.9022325 3 Tm 4.0117572 0.0960846 -0.0861933 -0.0110089 3.7587145 -0.1610177 -0.1583434 -0.0930365 3.8784468 4 Tm 4.0117572 -0.0960846 -0.0861933 0.0110089 3.7587145 0.1610177 -0.1583434 0.0930365 3.8784468 5 Tm 4.0117572 -0.0960846 -0.0861933 0.0110089 3.7587145 0.1610177 -0.1583434 0.0930365 3.8784468 6 Tm 4.0117572 0.0960846 -0.0861933 -0.0110089 3.7587145 -0.1610177 -0.1583434 -0.0930365 3.8784468 7 Tm 3.1926316 -0.0818910 0.1992871 0.1484850 3.7281302 0.1992339 0.1608345 0.2728777 3.9022325 8 Tm 3.1926316 0.0818910 0.1992871 -0.1484850 3.7281302 -0.1992339 0.1608345 -0.2728777 3.9022325 9 Ge 3.3103317 -0.3615513 0.2239136 -0.1394105 3.6454348 -0.0686505 0.3090796 -0.1009309 2.9143497 10 Ge 3.3103317 0.3615513 0.2239136 0.1394105 3.6454348 0.0686505 0.3090796 0.1009309 2.9143497 11 Ge 3.3103317 0.3615513 0.2239136 0.1394105 3.6454348 0.0686505 0.3090796 0.1009309 2.9143497 12 Ge 3.3103317 -0.3615513 0.2239136 -0.1394105 3.6454348 -0.0686505 0.3090796 -0.1009309 2.9143497 13 O -2.3298792 0.2280590 -0.1472718 0.4133949 -1.8966746 0.0259111 -0.0079515 -0.0144328 -1.8978014 14 O -2.4431017 -0.2335568 -0.1900247 -0.3550595 -2.4093367 0.0803948 -0.1646828 0.0722105 -2.4669757 15 O -2.3298792 -0.2280590 -0.1472718 -0.4133949 -1.8966746 -0.0259111 -0.0079515 0.0144328 -1.8978014 16 O -2.4431017 0.2335568 -0.1900247 0.3550595 -2.4093367 -0.0803948 -0.1646828 -0.0722105 -2.4669757 17 O -1.8771126 0.0505338 0.1275624 0.0309622 -1.9301010 -0.2533649 0.0259818 -0.5131988 -2.4750486 18 O -2.4754073 -0.4815529 -0.1519015 -0.4536731 -2.7145246 -0.0221927 -0.1654211 -0.0140083 -1.2197136 19 O -1.8771126 -0.0505338 0.1275624 -0.0309622 -1.9301010 0.2533649 0.0259818 0.5131988 -2.4750486 20 O -1.3892196 -0.0449410 0.0246283 0.0167967 -2.1816426 -0.1781214 0.0005030 -0.3725594 -2.6354897 21 O -2.4754073 0.4815529 -0.1519015 0.4536731 -2.7145246 0.0221927 -0.1654211 0.0140083 -1.2197136 22 O -1.3892196 0.0449410 0.0246283 -0.0167967 -2.1816426 0.1781214 0.0005030 0.3725594 -2.6354897 23 O -1.3892196 0.0449410 0.0246283 -0.0167967 -2.1816426 0.1781214 0.0005030 0.3725594 -2.6354897 24 O -2.4754073 0.4815529 -0.1519015 0.4536731 -2.7145246 0.0221927 -0.1654211 0.0140083 -1.2197136 25 O -1.3892196 -0.0449410 0.0246283 0.0167967 -2.1816426 -0.1781214 0.0005030 -0.3725594 -2.6354897 26 O -1.8771126 -0.0505338 0.1275624 -0.0309622 -1.9301010 0.2533649 0.0259818 0.5131988 -2.4750486 27 O -2.4754073 -0.4815529 -0.1519015 -0.4536731 -2.7145246 -0.0221927 -0.1654211 -0.0140083 -1.2197136 28 O -1.8771126 0.0505338 0.1275624 0.0309622 -1.9301010 -0.2533649 0.0259818 -0.5131988 -2.4750486 29 O -2.4431017 0.2335568 -0.1900247 0.3550595 -2.4093367 -0.0803948 -0.1646828 -0.0722105 -2.4669757 30 O -2.3298792 -0.2280590 -0.1472718 -0.4133949 -1.8966746 -0.0259111 -0.0079515 0.0144328 -1.8978014 31 O -2.4431017 -0.2335568 -0.1900247 -0.3550595 -2.4093367 0.0803948 -0.1646828 0.0722105 -2.4669757 32 O -2.3298792 0.2280590 -0.1472718 0.4133949 -1.8966746 0.0259111 -0.0079515 -0.0144328 -1.8978014 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4704 Number of blocks in projector: 4704 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (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: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (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: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4704, 4633), data: False |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 960 - Time: 1.442 Solver_block: 200 / 960 - Time: 1.386 Solver_block: 300 / 960 - Time: 1.352 Solver_block: 400 / 960 - Time: 1.360 Solver_block: 500 / 960 - Time: 1.380 Solver_block: 600 / 960 - Time: 1.344 Solver_block: 700 / 960 - Time: 1.362 Solver_block: 800 / 960 - Time: 1.352 Solver_block: 900 / 960 - Time: 1.352 Solver_block: 960 / 960 - Time: 0.867 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 13.515 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4704 Number of blocks in projector: 4704 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (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: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (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: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4704, 4633), data: False |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True 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 2026-01-09 01:04:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:04:06]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.147840502138687 0.000000000000000 0.000000000000000 b 0.000000000000000 6.796119249999999 0.000000000000000 c -0.912134923077024 0.000000000000000 6.571828605252555 Atomic positions (fractional): 1 Tm 0.96787489734064 0.11900245111947 0.27240519888129 168.934 2 Tm 0.96787489734064 0.38099754888053 0.77240519888129 168.934 3 Tm 0.65252967482914 0.14433094423082 0.52557202887866 168.934 4 Tm 0.65252967482914 0.35566905576918 0.02557202887866 168.934 5 Tm 0.34747032517086 0.64433094423082 0.97442797112134 168.934 6 Tm 0.34747032517086 0.85566905576918 0.47442797112134 168.934 7 Tm 0.03212510265936 0.61900245111947 0.22759480111871 168.934 8 Tm 0.03212510265936 0.88099754888053 0.72759480111871 168.934 9 Ge 0.69973838234510 0.60398677666131 0.52035038733056 72.640 10 Ge 0.69973838234510 0.89601322333869 0.02035038733056 72.640 11 Ge 0.30026161765490 0.10398677666131 0.97964961266944 72.640 12 Ge 0.30026161765490 0.39601322333869 0.47964961266944 72.640 13 O 0.89415899801649 0.85301809754825 0.03218476565882 15.999 14 O 0.89530787012566 0.38041811528680 0.08716336297904 15.999 15 O 0.89415899801649 0.64698190245175 0.53218476565882 15.999 16 O 0.89530787012566 0.11958188471320 0.58716336297904 15.999 17 O 0.71961946081136 0.07033326855690 0.22618948566450 15.999 18 O 0.59670876543380 0.68185445554245 0.01476059045464 15.999 19 O 0.71961946081136 0.42966673144309 0.72618948566450 15.999 20 O 0.63509024395279 0.42541236544674 0.34128393732213 15.999 21 O 0.59670876543380 0.81814554445755 0.51476059045464 15.999 22 O 0.63509024395279 0.07458763455326 0.84128393732213 15.999 23 O 0.36490975604721 0.92541236544674 0.15871606267787 15.999 24 O 0.40329123456620 0.18185445554245 0.48523940954536 15.999 25 O 0.36490975604721 0.57458763455326 0.65871606267787 15.999 26 O 0.28038053918864 0.57033326855691 0.27381051433551 15.999 27 O 0.40329123456620 0.31814554445755 0.98523940954536 15.999 28 O 0.28038053918864 0.92966673144309 0.77381051433550 15.999 29 O 0.10469212987434 0.88041811528680 0.41283663702097 15.999 30 O 0.10584100198351 0.35301809754825 0.46781523434118 15.999 31 O 0.10469212987434 0.61958188471320 0.91283663702096 15.999 32 O 0.10584100198351 0.14698190245175 0.96781523434118 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.147840502138687 0.000000000000000 0.000000000000000 b 0.000000000000000 13.592238499999999 0.000000000000000 c -1.824269846154048 0.000000000000000 13.143657210505109 Atomic positions (fractional): 1 Tm 0.96787489734064 0.05950122555973 0.13620259944065 168.934 > 1 2 Tm 0.96787489734064 0.55950122555973 0.13620259944065 168.934 > 1 3 Tm 0.96787489734064 0.05950122555973 0.63620259944065 168.934 > 1 4 Tm 0.96787489734064 0.55950122555973 0.63620259944065 168.934 > 1 5 Tm 0.96787489734064 0.19049877444027 0.38620259944065 168.934 > 5 6 Tm 0.96787489734064 0.69049877444027 0.38620259944065 168.934 > 5 7 Tm 0.96787489734064 0.19049877444027 0.88620259944065 168.934 > 5 8 Tm 0.96787489734064 0.69049877444027 0.88620259944065 168.934 > 5 9 Tm 0.65252967482914 0.07216547211541 0.26278601443933 168.934 > 9 10 Tm 0.65252967482914 0.57216547211541 0.26278601443933 168.934 > 9 11 Tm 0.65252967482914 0.07216547211541 0.76278601443933 168.934 > 9 12 Tm 0.65252967482914 0.57216547211541 0.76278601443933 168.934 > 9 13 Tm 0.65252967482914 0.17783452788459 0.01278601443933 168.934 > 13 14 Tm 0.65252967482914 0.67783452788459 0.01278601443933 168.934 > 13 15 Tm 0.65252967482914 0.17783452788459 0.51278601443933 168.934 > 13 16 Tm 0.65252967482914 0.67783452788459 0.51278601443933 168.934 > 13 17 Tm 0.34747032517086 0.32216547211541 0.48721398556067 168.934 > 17 18 Tm 0.34747032517086 0.82216547211541 0.48721398556067 168.934 > 17 19 Tm 0.34747032517086 0.32216547211541 0.98721398556067 168.934 > 17 20 Tm 0.34747032517086 0.82216547211541 0.98721398556067 168.934 > 17 21 Tm 0.34747032517086 0.42783452788459 0.23721398556067 168.934 > 21 22 Tm 0.34747032517086 0.92783452788459 0.23721398556067 168.934 > 21 23 Tm 0.34747032517086 0.42783452788459 0.73721398556067 168.934 > 21 24 Tm 0.34747032517086 0.92783452788459 0.73721398556067 168.934 > 21 25 Tm 0.03212510265936 0.30950122555973 0.11379740055935 168.934 > 25 26 Tm 0.03212510265936 0.80950122555973 0.11379740055935 168.934 > 25 27 Tm 0.03212510265936 0.30950122555973 0.61379740055935 168.934 > 25 28 Tm 0.03212510265936 0.80950122555973 0.61379740055935 168.934 > 25 29 Tm 0.03212510265936 0.44049877444027 0.36379740055935 168.934 > 29 30 Tm 0.03212510265936 0.94049877444027 0.36379740055935 168.934 > 29 31 Tm 0.03212510265936 0.44049877444027 0.86379740055935 168.934 > 29 32 Tm 0.03212510265936 0.94049877444027 0.86379740055935 168.934 > 29 33 Ge 0.69973838234510 0.30199338833065 0.26017519366528 72.640 > 33 34 Ge 0.69973838234510 0.80199338833065 0.26017519366528 72.640 > 33 35 Ge 0.69973838234510 0.30199338833065 0.76017519366528 72.640 > 33 36 Ge 0.69973838234510 0.80199338833065 0.76017519366528 72.640 > 33 37 Ge 0.69973838234510 0.44800661166935 0.01017519366528 72.640 > 37 38 Ge 0.69973838234510 0.94800661166935 0.01017519366528 72.640 > 37 39 Ge 0.69973838234510 0.44800661166935 0.51017519366528 72.640 > 37 40 Ge 0.69973838234510 0.94800661166935 0.51017519366528 72.640 > 37 41 Ge 0.30026161765490 0.05199338833065 0.48982480633472 72.640 > 41 42 Ge 0.30026161765490 0.55199338833065 0.48982480633472 72.640 > 41 43 Ge 0.30026161765490 0.05199338833065 0.98982480633472 72.640 > 41 44 Ge 0.30026161765490 0.55199338833065 0.98982480633472 72.640 > 41 45 Ge 0.30026161765490 0.19800661166935 0.23982480633472 72.640 > 45 46 Ge 0.30026161765490 0.69800661166935 0.23982480633472 72.640 > 45 47 Ge 0.30026161765490 0.19800661166935 0.73982480633472 72.640 > 45 48 Ge 0.30026161765490 0.69800661166935 0.73982480633472 72.640 > 45 49 O 0.89415899801649 0.42650904877412 0.01609238282941 15.999 > 49 50 O 0.89415899801649 0.92650904877412 0.01609238282941 15.999 > 49 51 O 0.89415899801649 0.42650904877412 0.51609238282941 15.999 > 49 52 O 0.89415899801649 0.92650904877412 0.51609238282941 15.999 > 49 53 O 0.89530787012566 0.19020905764340 0.04358168148952 15.999 > 53 54 O 0.89530787012566 0.69020905764340 0.04358168148952 15.999 > 53 55 O 0.89530787012566 0.19020905764340 0.54358168148952 15.999 > 53 56 O 0.89530787012566 0.69020905764340 0.54358168148952 15.999 > 53 57 O 0.89415899801649 0.32349095122588 0.26609238282941 15.999 > 57 58 O 0.89415899801649 0.82349095122588 0.26609238282941 15.999 > 57 59 O 0.89415899801649 0.32349095122588 0.76609238282941 15.999 > 57 60 O 0.89415899801649 0.82349095122588 0.76609238282941 15.999 > 57 61 O 0.89530787012566 0.05979094235660 0.29358168148952 15.999 > 61 62 O 0.89530787012566 0.55979094235660 0.29358168148952 15.999 > 61 63 O 0.89530787012566 0.05979094235660 0.79358168148952 15.999 > 61 64 O 0.89530787012566 0.55979094235660 0.79358168148952 15.999 > 61 65 O 0.71961946081136 0.03516663427845 0.11309474283225 15.999 > 65 66 O 0.71961946081136 0.53516663427845 0.11309474283225 15.999 > 65 67 O 0.71961946081136 0.03516663427845 0.61309474283225 15.999 > 65 68 O 0.71961946081136 0.53516663427845 0.61309474283225 15.999 > 65 69 O 0.59670876543380 0.34092722777122 0.00738029522732 15.999 > 69 70 O 0.59670876543380 0.84092722777122 0.00738029522732 15.999 > 69 71 O 0.59670876543380 0.34092722777122 0.50738029522732 15.999 > 69 72 O 0.59670876543380 0.84092722777122 0.50738029522732 15.999 > 69 73 O 0.71961946081136 0.21483336572155 0.36309474283225 15.999 > 73 74 O 0.71961946081136 0.71483336572155 0.36309474283225 15.999 > 73 75 O 0.71961946081136 0.21483336572155 0.86309474283225 15.999 > 73 76 O 0.71961946081136 0.71483336572155 0.86309474283225 15.999 > 73 77 O 0.63509024395279 0.21270618272337 0.17064196866107 15.999 > 77 78 O 0.63509024395279 0.71270618272337 0.17064196866107 15.999 > 77 79 O 0.63509024395279 0.21270618272337 0.67064196866107 15.999 > 77 80 O 0.63509024395279 0.71270618272337 0.67064196866107 15.999 > 77 81 O 0.59670876543380 0.40907277222878 0.25738029522732 15.999 > 81 82 O 0.59670876543380 0.90907277222878 0.25738029522732 15.999 > 81 83 O 0.59670876543380 0.40907277222878 0.75738029522732 15.999 > 81 84 O 0.59670876543380 0.90907277222878 0.75738029522732 15.999 > 81 85 O 0.63509024395279 0.03729381727663 0.42064196866107 15.999 > 85 86 O 0.63509024395279 0.53729381727663 0.42064196866107 15.999 > 85 87 O 0.63509024395279 0.03729381727663 0.92064196866107 15.999 > 85 88 O 0.63509024395279 0.53729381727663 0.92064196866107 15.999 > 85 89 O 0.36490975604721 0.46270618272337 0.07935803133893 15.999 > 89 90 O 0.36490975604721 0.96270618272337 0.07935803133893 15.999 > 89 91 O 0.36490975604721 0.46270618272337 0.57935803133893 15.999 > 89 92 O 0.36490975604721 0.96270618272337 0.57935803133893 15.999 > 89 93 O 0.40329123456620 0.09092722777122 0.24261970477268 15.999 > 93 94 O 0.40329123456620 0.59092722777122 0.24261970477268 15.999 > 93 95 O 0.40329123456620 0.09092722777122 0.74261970477268 15.999 > 93 96 O 0.40329123456620 0.59092722777122 0.74261970477268 15.999 > 93 97 O 0.36490975604721 0.28729381727663 0.32935803133893 15.999 > 97 98 O 0.36490975604721 0.78729381727663 0.32935803133893 15.999 > 97 99 O 0.36490975604721 0.28729381727663 0.82935803133893 15.999 > 97 100 O 0.36490975604721 0.78729381727663 0.82935803133893 15.999 > 97 101 O 0.28038053918864 0.28516663427845 0.13690525716775 15.999 > 101 102 O 0.28038053918864 0.78516663427845 0.13690525716775 15.999 > 101 103 O 0.28038053918864 0.28516663427845 0.63690525716775 15.999 > 101 104 O 0.28038053918864 0.78516663427845 0.63690525716775 15.999 > 101 105 O 0.40329123456620 0.15907277222878 0.49261970477268 15.999 > 105 106 O 0.40329123456620 0.65907277222878 0.49261970477268 15.999 > 105 107 O 0.40329123456620 0.15907277222878 0.99261970477268 15.999 > 105 108 O 0.40329123456620 0.65907277222878 0.99261970477268 15.999 > 105 109 O 0.28038053918864 0.46483336572155 0.38690525716775 15.999 > 109 110 O 0.28038053918864 0.96483336572155 0.38690525716775 15.999 > 109 111 O 0.28038053918864 0.46483336572155 0.88690525716775 15.999 > 109 112 O 0.28038053918864 0.96483336572155 0.88690525716775 15.999 > 109 113 O 0.10469212987434 0.44020905764340 0.20641831851048 15.999 > 113 114 O 0.10469212987434 0.94020905764340 0.20641831851048 15.999 > 113 115 O 0.10469212987434 0.44020905764340 0.70641831851048 15.999 > 113 116 O 0.10469212987434 0.94020905764340 0.70641831851048 15.999 > 113 117 O 0.10584100198351 0.17650904877412 0.23390761717059 15.999 > 117 118 O 0.10584100198351 0.67650904877412 0.23390761717059 15.999 > 117 119 O 0.10584100198351 0.17650904877412 0.73390761717059 15.999 > 117 120 O 0.10584100198351 0.67650904877412 0.73390761717059 15.999 > 117 121 O 0.10469212987434 0.30979094235660 0.45641831851048 15.999 > 121 122 O 0.10469212987434 0.80979094235660 0.45641831851048 15.999 > 121 123 O 0.10469212987434 0.30979094235660 0.95641831851048 15.999 > 121 124 O 0.10469212987434 0.80979094235660 0.95641831851048 15.999 > 121 125 O 0.10584100198351 0.07349095122588 0.48390761717059 15.999 > 125 126 O 0.10584100198351 0.57349095122588 0.48390761717059 15.999 > 125 127 O 0.10584100198351 0.07349095122588 0.98390761717059 15.999 > 125 128 O 0.10584100198351 0.57349095122588 0.98390761717059 15.999 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8376418 0.0000000 0.0837026 0.0000000 3.9887516 0.0000000 0.0837027 0.0000000 3.8481289 -------------------------- Born effective charges -------------------------- 1 Tm 3.1926316 0.0818910 0.1992871 -0.1484850 3.7281302 -0.1992339 0.1608345 -0.2728777 3.9022325 2 Tm 3.1926316 -0.0818910 0.1992871 0.1484850 3.7281302 0.1992339 0.1608345 0.2728777 3.9022325 3 Tm 4.0117572 0.0960846 -0.0861933 -0.0110089 3.7587145 -0.1610177 -0.1583434 -0.0930365 3.8784468 4 Tm 4.0117572 -0.0960846 -0.0861933 0.0110089 3.7587145 0.1610177 -0.1583434 0.0930365 3.8784468 5 Tm 4.0117572 -0.0960846 -0.0861933 0.0110089 3.7587145 0.1610177 -0.1583434 0.0930365 3.8784468 6 Tm 4.0117572 0.0960846 -0.0861933 -0.0110089 3.7587145 -0.1610177 -0.1583434 -0.0930365 3.8784468 7 Tm 3.1926316 -0.0818910 0.1992871 0.1484850 3.7281302 0.1992339 0.1608345 0.2728777 3.9022325 8 Tm 3.1926316 0.0818910 0.1992871 -0.1484850 3.7281302 -0.1992339 0.1608345 -0.2728777 3.9022325 9 Ge 3.3103317 -0.3615513 0.2239136 -0.1394105 3.6454348 -0.0686505 0.3090796 -0.1009309 2.9143497 10 Ge 3.3103317 0.3615513 0.2239136 0.1394105 3.6454348 0.0686505 0.3090796 0.1009309 2.9143497 11 Ge 3.3103317 0.3615513 0.2239136 0.1394105 3.6454348 0.0686505 0.3090796 0.1009309 2.9143497 12 Ge 3.3103317 -0.3615513 0.2239136 -0.1394105 3.6454348 -0.0686505 0.3090796 -0.1009309 2.9143497 13 O -2.3298792 0.2280590 -0.1472718 0.4133949 -1.8966746 0.0259111 -0.0079515 -0.0144328 -1.8978014 14 O -2.4431017 -0.2335568 -0.1900247 -0.3550595 -2.4093367 0.0803948 -0.1646828 0.0722105 -2.4669757 15 O -2.3298792 -0.2280590 -0.1472718 -0.4133949 -1.8966746 -0.0259111 -0.0079515 0.0144328 -1.8978014 16 O -2.4431017 0.2335568 -0.1900247 0.3550595 -2.4093367 -0.0803948 -0.1646828 -0.0722105 -2.4669757 17 O -1.8771126 0.0505338 0.1275624 0.0309622 -1.9301010 -0.2533649 0.0259818 -0.5131988 -2.4750486 18 O -2.4754073 -0.4815529 -0.1519015 -0.4536731 -2.7145246 -0.0221927 -0.1654211 -0.0140083 -1.2197136 19 O -1.8771126 -0.0505338 0.1275624 -0.0309622 -1.9301010 0.2533649 0.0259818 0.5131988 -2.4750486 20 O -1.3892196 -0.0449410 0.0246283 0.0167967 -2.1816426 -0.1781214 0.0005030 -0.3725594 -2.6354897 21 O -2.4754073 0.4815529 -0.1519015 0.4536731 -2.7145246 0.0221927 -0.1654211 0.0140083 -1.2197136 22 O -1.3892196 0.0449410 0.0246283 -0.0167967 -2.1816426 0.1781214 0.0005030 0.3725594 -2.6354897 23 O -1.3892196 0.0449410 0.0246283 -0.0167967 -2.1816426 0.1781214 0.0005030 0.3725594 -2.6354897 24 O -2.4754073 0.4815529 -0.1519015 0.4536731 -2.7145246 0.0221927 -0.1654211 0.0140083 -1.2197136 25 O -1.3892196 -0.0449410 0.0246283 0.0167967 -2.1816426 -0.1781214 0.0005030 -0.3725594 -2.6354897 26 O -1.8771126 -0.0505338 0.1275624 -0.0309622 -1.9301010 0.2533649 0.0259818 0.5131988 -2.4750486 27 O -2.4754073 -0.4815529 -0.1519015 -0.4536731 -2.7145246 -0.0221927 -0.1654211 -0.0140083 -1.2197136 28 O -1.8771126 0.0505338 0.1275624 0.0309622 -1.9301010 -0.2533649 0.0259818 -0.5131988 -2.4750486 29 O -2.4431017 0.2335568 -0.1900247 0.3550595 -2.4093367 -0.0803948 -0.1646828 -0.0722105 -2.4669757 30 O -2.3298792 -0.2280590 -0.1472718 -0.4133949 -1.8966746 -0.0259111 -0.0079515 0.0144328 -1.8978014 31 O -2.4431017 -0.2335568 -0.1900247 -0.3550595 -2.4093367 0.0803948 -0.1646828 0.0722105 -2.4669757 32 O -2.3298792 0.2280590 -0.1472718 0.4133949 -1.8966746 0.0259111 -0.0079515 -0.0144328 -1.8978014 ---------------------------------------------------------------------------- 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (yz) -0.00000001 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:04:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:04:51]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.147840502138687 0.000000000000000 0.000000000000000 b 0.000000000000000 6.796119249999999 0.000000000000000 c -0.912134923077024 0.000000000000000 6.571828605252555 Atomic positions (fractional): 1 Tm 0.96787489734064 0.11900245111947 0.27240519888129 168.934 2 Tm 0.96787489734064 0.38099754888053 0.77240519888129 168.934 3 Tm 0.65252967482914 0.14433094423082 0.52557202887866 168.934 4 Tm 0.65252967482914 0.35566905576918 0.02557202887866 168.934 5 Tm 0.34747032517086 0.64433094423082 0.97442797112134 168.934 6 Tm 0.34747032517086 0.85566905576918 0.47442797112134 168.934 7 Tm 0.03212510265936 0.61900245111947 0.22759480111871 168.934 8 Tm 0.03212510265936 0.88099754888053 0.72759480111871 168.934 9 Ge 0.69973838234510 0.60398677666131 0.52035038733056 72.640 10 Ge 0.69973838234510 0.89601322333869 0.02035038733056 72.640 11 Ge 0.30026161765490 0.10398677666131 0.97964961266944 72.640 12 Ge 0.30026161765490 0.39601322333869 0.47964961266944 72.640 13 O 0.89415899801649 0.85301809754825 0.03218476565882 15.999 14 O 0.89530787012566 0.38041811528680 0.08716336297904 15.999 15 O 0.89415899801649 0.64698190245175 0.53218476565882 15.999 16 O 0.89530787012566 0.11958188471320 0.58716336297904 15.999 17 O 0.71961946081136 0.07033326855690 0.22618948566450 15.999 18 O 0.59670876543380 0.68185445554245 0.01476059045464 15.999 19 O 0.71961946081136 0.42966673144309 0.72618948566450 15.999 20 O 0.63509024395279 0.42541236544674 0.34128393732213 15.999 21 O 0.59670876543380 0.81814554445755 0.51476059045464 15.999 22 O 0.63509024395279 0.07458763455326 0.84128393732213 15.999 23 O 0.36490975604721 0.92541236544674 0.15871606267787 15.999 24 O 0.40329123456620 0.18185445554245 0.48523940954536 15.999 25 O 0.36490975604721 0.57458763455326 0.65871606267787 15.999 26 O 0.28038053918864 0.57033326855691 0.27381051433551 15.999 27 O 0.40329123456620 0.31814554445755 0.98523940954536 15.999 28 O 0.28038053918864 0.92966673144309 0.77381051433550 15.999 29 O 0.10469212987434 0.88041811528680 0.41283663702097 15.999 30 O 0.10584100198351 0.35301809754825 0.46781523434118 15.999 31 O 0.10469212987434 0.61958188471320 0.91283663702096 15.999 32 O 0.10584100198351 0.14698190245175 0.96781523434118 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.147840502138687 0.000000000000000 0.000000000000000 b 0.000000000000000 13.592238499999999 0.000000000000000 c -1.824269846154048 0.000000000000000 13.143657210505109 Atomic positions (fractional): 1 Tm 0.96787489734064 0.05950122555973 0.13620259944065 168.934 > 1 2 Tm 0.96787489734064 0.55950122555973 0.13620259944065 168.934 > 1 3 Tm 0.96787489734064 0.05950122555973 0.63620259944065 168.934 > 1 4 Tm 0.96787489734064 0.55950122555973 0.63620259944065 168.934 > 1 5 Tm 0.96787489734064 0.19049877444027 0.38620259944065 168.934 > 5 6 Tm 0.96787489734064 0.69049877444027 0.38620259944065 168.934 > 5 7 Tm 0.96787489734064 0.19049877444027 0.88620259944065 168.934 > 5 8 Tm 0.96787489734064 0.69049877444027 0.88620259944065 168.934 > 5 9 Tm 0.65252967482914 0.07216547211541 0.26278601443933 168.934 > 9 10 Tm 0.65252967482914 0.57216547211541 0.26278601443933 168.934 > 9 11 Tm 0.65252967482914 0.07216547211541 0.76278601443933 168.934 > 9 12 Tm 0.65252967482914 0.57216547211541 0.76278601443933 168.934 > 9 13 Tm 0.65252967482914 0.17783452788459 0.01278601443933 168.934 > 13 14 Tm 0.65252967482914 0.67783452788459 0.01278601443933 168.934 > 13 15 Tm 0.65252967482914 0.17783452788459 0.51278601443933 168.934 > 13 16 Tm 0.65252967482914 0.67783452788459 0.51278601443933 168.934 > 13 17 Tm 0.34747032517086 0.32216547211541 0.48721398556067 168.934 > 17 18 Tm 0.34747032517086 0.82216547211541 0.48721398556067 168.934 > 17 19 Tm 0.34747032517086 0.32216547211541 0.98721398556067 168.934 > 17 20 Tm 0.34747032517086 0.82216547211541 0.98721398556067 168.934 > 17 21 Tm 0.34747032517086 0.42783452788459 0.23721398556067 168.934 > 21 22 Tm 0.34747032517086 0.92783452788459 0.23721398556067 168.934 > 21 23 Tm 0.34747032517086 0.42783452788459 0.73721398556067 168.934 > 21 24 Tm 0.34747032517086 0.92783452788459 0.73721398556067 168.934 > 21 25 Tm 0.03212510265936 0.30950122555973 0.11379740055935 168.934 > 25 26 Tm 0.03212510265936 0.80950122555973 0.11379740055935 168.934 > 25 27 Tm 0.03212510265936 0.30950122555973 0.61379740055935 168.934 > 25 28 Tm 0.03212510265936 0.80950122555973 0.61379740055935 168.934 > 25 29 Tm 0.03212510265936 0.44049877444027 0.36379740055935 168.934 > 29 30 Tm 0.03212510265936 0.94049877444027 0.36379740055935 168.934 > 29 31 Tm 0.03212510265936 0.44049877444027 0.86379740055935 168.934 > 29 32 Tm 0.03212510265936 0.94049877444027 0.86379740055935 168.934 > 29 33 Ge 0.69973838234510 0.30199338833065 0.26017519366528 72.640 > 33 34 Ge 0.69973838234510 0.80199338833065 0.26017519366528 72.640 > 33 35 Ge 0.69973838234510 0.30199338833065 0.76017519366528 72.640 > 33 36 Ge 0.69973838234510 0.80199338833065 0.76017519366528 72.640 > 33 37 Ge 0.69973838234510 0.44800661166935 0.01017519366528 72.640 > 37 38 Ge 0.69973838234510 0.94800661166935 0.01017519366528 72.640 > 37 39 Ge 0.69973838234510 0.44800661166935 0.51017519366528 72.640 > 37 40 Ge 0.69973838234510 0.94800661166935 0.51017519366528 72.640 > 37 41 Ge 0.30026161765490 0.05199338833065 0.48982480633472 72.640 > 41 42 Ge 0.30026161765490 0.55199338833065 0.48982480633472 72.640 > 41 43 Ge 0.30026161765490 0.05199338833065 0.98982480633472 72.640 > 41 44 Ge 0.30026161765490 0.55199338833065 0.98982480633472 72.640 > 41 45 Ge 0.30026161765490 0.19800661166935 0.23982480633472 72.640 > 45 46 Ge 0.30026161765490 0.69800661166935 0.23982480633472 72.640 > 45 47 Ge 0.30026161765490 0.19800661166935 0.73982480633472 72.640 > 45 48 Ge 0.30026161765490 0.69800661166935 0.73982480633472 72.640 > 45 49 O 0.89415899801649 0.42650904877412 0.01609238282941 15.999 > 49 50 O 0.89415899801649 0.92650904877412 0.01609238282941 15.999 > 49 51 O 0.89415899801649 0.42650904877412 0.51609238282941 15.999 > 49 52 O 0.89415899801649 0.92650904877412 0.51609238282941 15.999 > 49 53 O 0.89530787012566 0.19020905764340 0.04358168148952 15.999 > 53 54 O 0.89530787012566 0.69020905764340 0.04358168148952 15.999 > 53 55 O 0.89530787012566 0.19020905764340 0.54358168148952 15.999 > 53 56 O 0.89530787012566 0.69020905764340 0.54358168148952 15.999 > 53 57 O 0.89415899801649 0.32349095122588 0.26609238282941 15.999 > 57 58 O 0.89415899801649 0.82349095122588 0.26609238282941 15.999 > 57 59 O 0.89415899801649 0.32349095122588 0.76609238282941 15.999 > 57 60 O 0.89415899801649 0.82349095122588 0.76609238282941 15.999 > 57 61 O 0.89530787012566 0.05979094235660 0.29358168148952 15.999 > 61 62 O 0.89530787012566 0.55979094235660 0.29358168148952 15.999 > 61 63 O 0.89530787012566 0.05979094235660 0.79358168148952 15.999 > 61 64 O 0.89530787012566 0.55979094235660 0.79358168148952 15.999 > 61 65 O 0.71961946081136 0.03516663427845 0.11309474283225 15.999 > 65 66 O 0.71961946081136 0.53516663427845 0.11309474283225 15.999 > 65 67 O 0.71961946081136 0.03516663427845 0.61309474283225 15.999 > 65 68 O 0.71961946081136 0.53516663427845 0.61309474283225 15.999 > 65 69 O 0.59670876543380 0.34092722777122 0.00738029522732 15.999 > 69 70 O 0.59670876543380 0.84092722777122 0.00738029522732 15.999 > 69 71 O 0.59670876543380 0.34092722777122 0.50738029522732 15.999 > 69 72 O 0.59670876543380 0.84092722777122 0.50738029522732 15.999 > 69 73 O 0.71961946081136 0.21483336572155 0.36309474283225 15.999 > 73 74 O 0.71961946081136 0.71483336572155 0.36309474283225 15.999 > 73 75 O 0.71961946081136 0.21483336572155 0.86309474283225 15.999 > 73 76 O 0.71961946081136 0.71483336572155 0.86309474283225 15.999 > 73 77 O 0.63509024395279 0.21270618272337 0.17064196866107 15.999 > 77 78 O 0.63509024395279 0.71270618272337 0.17064196866107 15.999 > 77 79 O 0.63509024395279 0.21270618272337 0.67064196866107 15.999 > 77 80 O 0.63509024395279 0.71270618272337 0.67064196866107 15.999 > 77 81 O 0.59670876543380 0.40907277222878 0.25738029522732 15.999 > 81 82 O 0.59670876543380 0.90907277222878 0.25738029522732 15.999 > 81 83 O 0.59670876543380 0.40907277222878 0.75738029522732 15.999 > 81 84 O 0.59670876543380 0.90907277222878 0.75738029522732 15.999 > 81 85 O 0.63509024395279 0.03729381727663 0.42064196866107 15.999 > 85 86 O 0.63509024395279 0.53729381727663 0.42064196866107 15.999 > 85 87 O 0.63509024395279 0.03729381727663 0.92064196866107 15.999 > 85 88 O 0.63509024395279 0.53729381727663 0.92064196866107 15.999 > 85 89 O 0.36490975604721 0.46270618272337 0.07935803133893 15.999 > 89 90 O 0.36490975604721 0.96270618272337 0.07935803133893 15.999 > 89 91 O 0.36490975604721 0.46270618272337 0.57935803133893 15.999 > 89 92 O 0.36490975604721 0.96270618272337 0.57935803133893 15.999 > 89 93 O 0.40329123456620 0.09092722777122 0.24261970477268 15.999 > 93 94 O 0.40329123456620 0.59092722777122 0.24261970477268 15.999 > 93 95 O 0.40329123456620 0.09092722777122 0.74261970477268 15.999 > 93 96 O 0.40329123456620 0.59092722777122 0.74261970477268 15.999 > 93 97 O 0.36490975604721 0.28729381727663 0.32935803133893 15.999 > 97 98 O 0.36490975604721 0.78729381727663 0.32935803133893 15.999 > 97 99 O 0.36490975604721 0.28729381727663 0.82935803133893 15.999 > 97 100 O 0.36490975604721 0.78729381727663 0.82935803133893 15.999 > 97 101 O 0.28038053918864 0.28516663427845 0.13690525716775 15.999 > 101 102 O 0.28038053918864 0.78516663427845 0.13690525716775 15.999 > 101 103 O 0.28038053918864 0.28516663427845 0.63690525716775 15.999 > 101 104 O 0.28038053918864 0.78516663427845 0.63690525716775 15.999 > 101 105 O 0.40329123456620 0.15907277222878 0.49261970477268 15.999 > 105 106 O 0.40329123456620 0.65907277222878 0.49261970477268 15.999 > 105 107 O 0.40329123456620 0.15907277222878 0.99261970477268 15.999 > 105 108 O 0.40329123456620 0.65907277222878 0.99261970477268 15.999 > 105 109 O 0.28038053918864 0.46483336572155 0.38690525716775 15.999 > 109 110 O 0.28038053918864 0.96483336572155 0.38690525716775 15.999 > 109 111 O 0.28038053918864 0.46483336572155 0.88690525716775 15.999 > 109 112 O 0.28038053918864 0.96483336572155 0.88690525716775 15.999 > 109 113 O 0.10469212987434 0.44020905764340 0.20641831851048 15.999 > 113 114 O 0.10469212987434 0.94020905764340 0.20641831851048 15.999 > 113 115 O 0.10469212987434 0.44020905764340 0.70641831851048 15.999 > 113 116 O 0.10469212987434 0.94020905764340 0.70641831851048 15.999 > 113 117 O 0.10584100198351 0.17650904877412 0.23390761717059 15.999 > 117 118 O 0.10584100198351 0.67650904877412 0.23390761717059 15.999 > 117 119 O 0.10584100198351 0.17650904877412 0.73390761717059 15.999 > 117 120 O 0.10584100198351 0.67650904877412 0.73390761717059 15.999 > 117 121 O 0.10469212987434 0.30979094235660 0.45641831851048 15.999 > 121 122 O 0.10469212987434 0.80979094235660 0.45641831851048 15.999 > 121 123 O 0.10469212987434 0.30979094235660 0.95641831851048 15.999 > 121 124 O 0.10469212987434 0.80979094235660 0.95641831851048 15.999 > 121 125 O 0.10584100198351 0.07349095122588 0.48390761717059 15.999 > 125 126 O 0.10584100198351 0.57349095122588 0.48390761717059 15.999 > 125 127 O 0.10584100198351 0.07349095122588 0.98390761717059 15.999 > 125 128 O 0.10584100198351 0.57349095122588 0.98390761717059 15.999 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8376418 0.0000000 0.0837026 0.0000000 3.9887516 0.0000000 0.0837027 0.0000000 3.8481289 -------------------------- Born effective charges -------------------------- 1 Tm 3.1926316 0.0818910 0.1992871 -0.1484850 3.7281302 -0.1992339 0.1608345 -0.2728777 3.9022325 2 Tm 3.1926316 -0.0818910 0.1992871 0.1484850 3.7281302 0.1992339 0.1608345 0.2728777 3.9022325 3 Tm 4.0117572 0.0960846 -0.0861933 -0.0110089 3.7587145 -0.1610177 -0.1583434 -0.0930365 3.8784468 4 Tm 4.0117572 -0.0960846 -0.0861933 0.0110089 3.7587145 0.1610177 -0.1583434 0.0930365 3.8784468 5 Tm 4.0117572 -0.0960846 -0.0861933 0.0110089 3.7587145 0.1610177 -0.1583434 0.0930365 3.8784468 6 Tm 4.0117572 0.0960846 -0.0861933 -0.0110089 3.7587145 -0.1610177 -0.1583434 -0.0930365 3.8784468 7 Tm 3.1926316 -0.0818910 0.1992871 0.1484850 3.7281302 0.1992339 0.1608345 0.2728777 3.9022325 8 Tm 3.1926316 0.0818910 0.1992871 -0.1484850 3.7281302 -0.1992339 0.1608345 -0.2728777 3.9022325 9 Ge 3.3103317 -0.3615513 0.2239136 -0.1394105 3.6454348 -0.0686505 0.3090796 -0.1009309 2.9143497 10 Ge 3.3103317 0.3615513 0.2239136 0.1394105 3.6454348 0.0686505 0.3090796 0.1009309 2.9143497 11 Ge 3.3103317 0.3615513 0.2239136 0.1394105 3.6454348 0.0686505 0.3090796 0.1009309 2.9143497 12 Ge 3.3103317 -0.3615513 0.2239136 -0.1394105 3.6454348 -0.0686505 0.3090796 -0.1009309 2.9143497 13 O -2.3298792 0.2280590 -0.1472718 0.4133949 -1.8966746 0.0259111 -0.0079515 -0.0144328 -1.8978014 14 O -2.4431017 -0.2335568 -0.1900247 -0.3550595 -2.4093367 0.0803948 -0.1646828 0.0722105 -2.4669757 15 O -2.3298792 -0.2280590 -0.1472718 -0.4133949 -1.8966746 -0.0259111 -0.0079515 0.0144328 -1.8978014 16 O -2.4431017 0.2335568 -0.1900247 0.3550595 -2.4093367 -0.0803948 -0.1646828 -0.0722105 -2.4669757 17 O -1.8771126 0.0505338 0.1275624 0.0309622 -1.9301010 -0.2533649 0.0259818 -0.5131988 -2.4750486 18 O -2.4754073 -0.4815529 -0.1519015 -0.4536731 -2.7145246 -0.0221927 -0.1654211 -0.0140083 -1.2197136 19 O -1.8771126 -0.0505338 0.1275624 -0.0309622 -1.9301010 0.2533649 0.0259818 0.5131988 -2.4750486 20 O -1.3892196 -0.0449410 0.0246283 0.0167967 -2.1816426 -0.1781214 0.0005030 -0.3725594 -2.6354897 21 O -2.4754073 0.4815529 -0.1519015 0.4536731 -2.7145246 0.0221927 -0.1654211 0.0140083 -1.2197136 22 O -1.3892196 0.0449410 0.0246283 -0.0167967 -2.1816426 0.1781214 0.0005030 0.3725594 -2.6354897 23 O -1.3892196 0.0449410 0.0246283 -0.0167967 -2.1816426 0.1781214 0.0005030 0.3725594 -2.6354897 24 O -2.4754073 0.4815529 -0.1519015 0.4536731 -2.7145246 0.0221927 -0.1654211 0.0140083 -1.2197136 25 O -1.3892196 -0.0449410 0.0246283 0.0167967 -2.1816426 -0.1781214 0.0005030 -0.3725594 -2.6354897 26 O -1.8771126 -0.0505338 0.1275624 -0.0309622 -1.9301010 0.2533649 0.0259818 0.5131988 -2.4750486 27 O -2.4754073 -0.4815529 -0.1519015 -0.4536731 -2.7145246 -0.0221927 -0.1654211 -0.0140083 -1.2197136 28 O -1.8771126 0.0505338 0.1275624 0.0309622 -1.9301010 -0.2533649 0.0259818 -0.5131988 -2.4750486 29 O -2.4431017 0.2335568 -0.1900247 0.3550595 -2.4093367 -0.0803948 -0.1646828 -0.0722105 -2.4669757 30 O -2.3298792 -0.2280590 -0.1472718 -0.4133949 -1.8966746 -0.0259111 -0.0079515 0.0144328 -1.8978014 31 O -2.4431017 -0.2335568 -0.1900247 -0.3550595 -2.4093367 0.0803948 -0.1646828 0.0722105 -2.4669757 32 O -2.3298792 0.2280590 -0.1472718 0.4133949 -1.8966746 0.0259111 -0.0079515 -0.0144328 -1.8978014 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) 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 ... [ 6 7 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.56, Number of G-points: 297, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/104) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 104 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 1.895 ( 0.000 0.000 0.000) 0.000 2.107 ( 0.000 0.000 0.000) 0.000 2.442 ( 0.000 0.000 0.000) 0.000 2.549 ( 0.000 0.000 0.000) 0.000 2.635 ( 0.000 0.000 0.000) 0.000 2.677 ( 0.000 0.000 0.000) 0.000 2.763 ( 0.000 0.000 0.000) 0.000 2.982 ( 0.000 0.000 0.000) 0.000 3.336 ( 0.000 0.000 0.000) 0.000 3.372 ( 0.000 0.000 0.000) 0.000 3.470 ( 0.000 0.000 0.000) 0.000 3.696 ( 0.000 0.000 0.000) 0.000 3.762 ( 0.000 0.000 0.000) 0.000 4.007 ( 0.000 0.000 0.000) 0.000 4.016 ( 0.000 0.000 0.000) 0.000 4.059 ( 0.000 0.000 0.000) 0.000 4.070 ( 0.000 0.000 0.000) 0.000 4.297 ( 0.000 0.000 0.000) 0.000 4.568 ( 0.000 0.000 0.000) 0.000 4.801 ( 0.000 0.000 0.000) 0.000 4.843 ( 0.000 0.000 0.000) 0.000 4.921 ( 0.000 0.000 0.000) 0.000 5.025 ( 0.000 0.000 0.000) 0.000 5.292 ( 0.000 0.000 0.000) 0.000 5.335 ( 0.000 0.000 0.000) 0.000 5.468 ( 0.000 0.000 0.000) 0.000 5.548 ( 0.000 0.000 0.000) 0.000 5.836 ( 0.000 0.000 0.000) 0.000 5.939 ( 0.000 0.000 0.000) 0.000 6.182 ( 0.000 0.000 0.000) 0.000 6.408 ( 0.000 0.000 0.000) 0.000 6.471 ( 0.000 0.000 0.000) 0.000 6.577 ( 0.000 0.000 0.000) 0.000 6.742 ( 0.000 0.000 0.000) 0.000 6.820 ( 0.000 0.000 0.000) 0.000 6.995 ( 0.000 0.000 0.000) 0.000 7.103 ( 0.000 0.000 0.000) 0.000 7.677 ( 0.000 0.000 0.000) 0.000 7.946 ( 0.000 0.000 0.000) 0.000 8.192 ( 0.000 0.000 0.000) 0.000 8.225 ( 0.000 0.000 0.000) 0.000 8.453 ( 0.000 0.000 0.000) 0.000 8.582 ( 0.000 0.000 0.000) 0.000 8.878 ( 0.000 0.000 0.000) 0.000 8.923 ( 0.000 0.000 0.000) 0.000 9.007 ( 0.000 0.000 0.000) 0.000 9.194 ( 0.000 0.000 0.000) 0.000 9.634 ( 0.000 0.000 0.000) 0.000 9.635 ( 0.000 0.000 0.000) 0.000 9.881 ( 0.000 0.000 0.000) 0.000 10.509 ( 0.000 0.000 0.000) 0.000 10.633 ( 0.000 0.000 0.000) 0.000 10.858 ( 0.000 0.000 0.000) 0.000 10.875 ( 0.000 0.000 0.000) 0.000 10.954 ( 0.000 0.000 0.000) 0.000 11.055 ( 0.000 0.000 0.000) 0.000 11.392 ( 0.000 0.000 0.000) 0.000 11.397 ( 0.000 0.000 0.000) 0.000 11.583 ( 0.000 0.000 0.000) 0.000 11.813 ( 0.000 0.000 0.000) 0.000 12.001 ( 0.000 0.000 0.000) 0.000 12.239 ( 0.000 0.000 0.000) 0.000 12.570 ( 0.000 0.000 0.000) 0.000 12.573 ( 0.000 0.000 0.000) 0.000 12.940 ( 0.000 0.000 0.000) 0.000 13.224 ( 0.000 0.000 0.000) 0.000 13.577 ( 0.000 0.000 0.000) 0.000 13.685 ( 0.000 0.000 0.000) 0.000 13.977 ( 0.000 0.000 0.000) 0.000 14.130 ( 0.000 0.000 0.000) 0.000 14.505 ( 0.000 0.000 0.000) 0.000 14.571 ( 0.000 0.000 0.000) 0.000 14.960 ( 0.000 0.000 0.000) 0.000 15.665 ( 0.000 0.000 0.000) 0.000 15.878 ( 0.000 0.000 0.000) 0.000 16.294 ( 0.000 0.000 0.000) 0.000 17.040 ( 0.000 0.000 0.000) 0.000 19.623 ( 0.000 0.000 0.000) 0.000 19.783 ( 0.000 0.000 0.000) 0.000 19.906 ( 0.000 0.000 0.000) 0.000 19.910 ( 0.000 0.000 0.000) 0.000 20.901 ( 0.000 0.000 0.000) 0.000 21.505 ( 0.000 0.000 0.000) 0.000 21.547 ( 0.000 0.000 0.000) 0.000 21.627 ( 0.000 0.000 0.000) 0.000 22.505 ( 0.000 0.000 0.000) 0.000 22.662 ( 0.000 0.000 0.000) 0.000 22.949 ( 0.000 0.000 0.000) 0.000 23.367 ( 0.000 0.000 0.000) 0.000 23.926 ( 0.000 0.000 0.000) 0.000 24.341 ( 0.000 0.000 0.000) 0.000 24.634 ( 0.000 0.000 0.000) 0.000 24.719 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/104) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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| 0.284 ( 13.990 0.000 4.581) 14.721 0.557 ( 29.640 0.000 4.192) 29.935 0.891 ( 46.955 0.000 6.520) 47.406 1.862 ( -3.458 0.000 1.155) 3.645 2.083 ( -3.433 0.000 1.167) 3.626 2.413 ( -2.898 0.000 0.236) 2.908 2.538 ( -8.922 0.000 -7.075) 11.386 2.541 ( -0.949 0.000 -2.179) 2.377 2.632 ( -0.404 0.000 0.479) 0.626 2.799 ( -0.919 0.000 6.445) 6.511 2.985 ( -0.057 0.000 -2.754) 2.755 3.263 ( -12.794 0.000 -3.116) 13.168 3.382 ( 1.036 0.000 0.245) 1.064 3.438 ( 1.702 0.000 0.789) 1.876 3.675 ( -3.806 0.000 -1.249) 4.006 3.679 ( -2.491 0.000 1.140) 2.739 3.885 ( -4.316 0.000 1.689) 4.634 3.942 ( -6.806 0.000 0.139) 6.808 4.136 ( 6.244 0.000 -2.978) 6.918 4.246 ( -4.265 0.000 -2.166) 4.784 4.321 ( 12.416 0.000 3.766) 12.974 4.529 ( -11.558 0.000 -3.616) 12.111 4.755 ( -2.722 0.000 -4.315) 5.102 4.849 ( -1.171 0.000 11.070) 11.132 4.946 ( 0.928 0.000 -0.406) 1.013 5.024 ( -1.186 0.000 2.985) 3.212 5.402 ( -2.799 0.000 4.505) 5.304 5.416 ( -7.529 0.000 1.199) 7.624 5.518 ( 0.778 0.000 -2.612) 2.726 5.524 ( 5.808 0.000 -5.755) 8.177 5.927 ( 8.112 0.000 4.824) 9.438 6.100 ( -0.185 0.000 -6.225) 6.227 6.258 ( 7.768 0.000 -1.756) 7.964 6.410 ( 0.483 0.000 -1.750) 1.816 6.468 ( -0.466 0.000 1.258) 1.342 6.737 ( 0.030 0.000 -2.346) 2.346 6.816 ( -2.396 0.000 11.762) 12.004 6.851 ( -0.016 0.000 7.653) 7.653 6.966 ( -3.558 0.000 0.691) 3.625 7.099 ( -0.805 0.000 -0.375) 0.888 7.747 ( 6.612 0.000 1.322) 6.742 7.818 ( -9.995 0.000 0.083) 9.995 8.321 ( 4.540 0.000 -25.789) 26.186 8.349 ( 9.747 0.000 -1.614) 9.880 8.443 ( -2.597 0.000 5.810) 6.363 8.576 ( -0.745 0.000 0.609) 0.962 8.767 ( -6.089 0.000 -3.075) 6.822 8.971 ( -1.221 0.000 1.707) 2.098 9.041 ( 4.597 0.000 0.463) 4.621 9.199 ( -1.983 0.000 -7.957) 8.201 9.638 ( 1.178 0.000 -4.074) 4.240 9.668 ( 2.613 0.000 1.147) 2.853 9.856 ( -2.781 0.000 4.424) 5.225 10.523 ( 1.284 0.000 2.882) 3.155 10.622 ( -1.230 0.000 1.236) 1.743 10.826 ( -3.060 0.000 -6.892) 7.541 10.831 ( -2.148 0.000 -1.889) 2.861 11.080 ( 11.388 0.000 0.365) 11.393 11.286 ( -3.106 0.000 -6.653) 7.342 11.561 ( 9.793 0.000 10.435) 14.310 11.577 ( -1.712 0.000 7.243) 7.443 11.813 ( 1.236 0.000 -3.408) 3.625 12.042 ( 2.331 0.000 5.797) 6.248 12.179 ( -5.340 0.000 -3.159) 6.204 12.490 ( 0.103 0.000 2.505) 2.507 12.530 ( -3.761 0.000 -5.098) 6.335 12.919 ( -2.709 0.000 2.904) 3.972 13.242 ( 1.424 0.000 2.164) 2.590 13.509 ( -8.179 0.000 0.150) 8.181 13.602 ( 2.629 0.000 -0.783) 2.744 13.776 ( 4.838 0.000 3.226) 5.815 14.091 ( 3.393 0.000 -25.848) 26.069 14.139 ( -0.450 0.000 7.354) 7.368 14.470 ( -3.107 0.000 -1.479) 3.441 14.992 ( 2.863 0.000 1.438) 3.203 15.301 ( -0.006 0.000 6.175) 6.175 15.672 ( 0.628 0.000 0.126) 0.641 16.281 ( -1.242 0.000 -0.388) 1.301 16.367 ( -5.166 0.000 30.269) 30.707 17.043 ( 0.280 0.000 -0.197) 0.342 19.615 ( -0.894 0.000 0.831) 1.221 19.914 ( 0.526 0.000 2.050) 2.117 19.914 ( 0.509 0.000 -0.700) 0.866 20.031 ( 6.090 0.000 -47.917) 48.303 21.497 ( -0.754 0.000 0.599) 0.963 21.554 ( 0.619 0.000 -0.491) 0.790 21.634 ( 0.678 0.000 0.387) 0.781 21.895 ( -4.091 0.000 28.243) 28.538 22.508 ( 0.202 0.000 0.063) 0.212 22.964 ( 1.475 0.000 0.551) 1.574 23.362 ( -0.461 0.000 -0.424) 0.626 23.377 ( -2.841 0.000 6.773) 7.344 23.938 ( 1.118 0.000 0.652) 1.295 24.332 ( -0.863 0.000 -0.372) 0.940 24.640 ( 0.644 0.000 -0.244) 0.689 24.744 ( -1.581 0.000 7.618) 7.780 ======================= Grid point 2 (3/104) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( 9.097 0.000 3.083) 9.605 1.092 ( 27.670 0.000 2.971) 27.829 1.667 ( 25.112 0.000 -9.115) 26.715 1.848 ( 12.456 0.000 17.155) 21.200 1.942 ( -13.520 0.000 0.897) 13.549 2.361 ( -1.976 0.000 0.150) 1.981 2.397 ( -3.828 0.000 -6.290) 7.363 2.518 ( -1.118 0.000 0.743) 1.342 2.623 ( -0.668 0.000 0.300) 0.733 2.760 ( -3.957 0.000 6.501) 7.611 2.905 ( -9.786 0.000 -7.634) 12.411 2.997 ( -11.971 0.000 -3.787) 12.556 3.403 ( 0.594 0.000 0.827) 1.018 3.468 ( 0.171 0.000 0.010) 0.172 3.618 ( -3.011 0.000 1.791) 3.503 3.626 ( -2.006 0.000 0.956) 2.222 3.789 ( -8.817 0.000 0.028) 8.817 3.890 ( 2.965 0.000 2.759) 4.050 4.175 ( -1.561 0.000 -4.354) 4.626 4.238 ( 5.857 0.000 -3.395) 6.770 4.318 ( -9.335 0.000 -0.859) 9.374 4.424 ( -1.432 0.000 -1.884) 2.366 4.764 ( 5.359 0.000 -0.926) 5.438 4.875 ( 0.951 0.000 4.671) 4.766 4.955 ( 0.238 0.000 -0.425) 0.488 4.993 ( -2.212 0.000 1.541) 2.696 5.218 ( -12.417 0.000 1.160) 12.471 5.276 ( -6.852 0.000 -1.525) 7.020 5.597 ( 6.057 0.000 -0.165) 6.059 5.671 ( 7.050 0.000 1.496) 7.207 6.059 ( -2.804 0.000 -2.827) 3.982 6.093 ( 7.205 0.000 4.370) 8.427 6.420 ( 0.698 0.000 0.242) 0.739 6.433 ( 11.725 0.000 -2.797) 12.054 6.465 ( -0.221 0.000 1.442) 1.459 6.743 ( 1.329 0.000 -2.351) 2.701 6.815 ( 0.439 0.000 2.832) 2.866 6.859 ( -8.391 0.000 2.249) 8.687 6.871 ( 0.533 0.000 1.073) 1.198 7.059 ( -3.308 0.000 -1.697) 3.718 7.657 ( -6.730 0.000 0.077) 6.731 7.880 ( 6.444 0.000 1.016) 6.524 8.339 ( 2.446 0.000 -12.680) 12.914 8.406 ( -2.604 0.000 5.814) 6.371 8.497 ( 6.071 0.000 -3.872) 7.201 8.560 ( -1.161 0.000 1.014) 1.542 8.688 ( -1.538 0.000 1.534) 2.172 8.918 ( -4.018 0.000 0.090) 4.019 9.121 ( 3.593 0.000 -0.357) 3.610 9.141 ( -2.459 0.000 -2.353) 3.403 9.653 ( 1.240 0.000 -2.378) 2.682 9.716 ( 1.988 0.000 0.882) 2.175 9.823 ( -1.876 0.000 4.675) 5.038 10.569 ( 2.636 0.000 3.011) 4.002 10.600 ( -1.318 0.000 1.265) 1.827 10.743 ( -3.893 0.000 -4.959) 6.304 10.793 ( -1.167 0.000 -1.592) 1.974 11.228 ( -1.842 0.000 -3.556) 4.004 11.315 ( 13.468 0.000 -4.346) 14.152 11.557 ( -2.548 0.000 7.684) 8.096 11.764 ( 8.694 0.000 7.821) 11.694 11.856 ( 3.767 0.000 -0.393) 3.788 12.019 ( -7.785 0.000 10.060) 12.720 12.108 ( -0.208 0.000 -6.784) 6.787 12.436 ( -3.743 0.000 -6.353) 7.374 12.498 ( 0.675 0.000 -2.972) 3.047 12.862 ( -3.928 0.000 3.757) 5.436 13.275 ( 1.350 0.000 1.936) 2.360 13.376 ( -5.207 0.000 -3.360) 6.196 13.653 ( 2.715 0.000 -0.834) 2.841 13.856 ( 3.335 0.000 -0.450) 3.365 14.092 ( 1.781 0.000 -10.587) 10.736 14.142 ( -1.423 0.000 8.070) 8.195 14.407 ( -2.926 0.000 -1.054) 3.110 15.049 ( 2.558 0.000 1.130) 2.797 15.317 ( 0.600 0.000 1.590) 1.699 15.685 ( 0.692 0.000 0.160) 0.710 16.254 ( -1.342 0.000 -0.404) 1.402 16.347 ( -2.391 0.000 9.952) 10.235 17.048 ( 0.295 0.000 -0.197) 0.355 19.600 ( -0.856 0.000 0.789) 1.164 19.922 ( 0.472 0.000 -0.657) 0.809 19.932 ( 0.590 0.000 3.335) 3.387 20.017 ( 1.792 0.000 -18.710) 18.796 21.486 ( -0.572 0.000 0.453) 0.730 21.563 ( 0.436 0.000 -0.345) 0.556 21.650 ( 0.732 0.000 0.387) 0.828 21.891 ( -1.502 0.000 9.098) 9.221 22.512 ( 0.211 0.000 0.065) 0.221 22.999 ( 1.911 0.000 0.595) 2.001 23.335 ( -2.615 0.000 2.072) 3.336 23.352 ( -0.453 0.000 -0.411) 0.612 23.963 ( 1.210 0.000 0.687) 1.391 24.313 ( -0.972 0.000 -0.423) 1.059 24.654 ( 0.833 0.000 -0.382) 0.916 24.732 ( -1.085 0.000 2.807) 3.009 ======================= Grid point 3 (4/104) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( 0.000 0.000 0.000) 0.000 1.503 ( -0.000 0.000 -0.000) 0.000 1.661 ( 0.000 0.000 0.000) 0.000 1.717 ( 0.000 0.000 0.000) 0.000 2.313 ( 0.000 0.000 0.000) 0.000 2.345 ( 0.000 0.000 0.000) 0.000 2.362 ( 0.000 0.000 -0.000) 0.000 2.563 ( 0.000 0.000 0.000) 0.000 2.591 ( -0.000 0.000 -0.000) 0.000 2.617 ( 0.000 0.000 -0.000) 0.000 2.730 ( 0.000 0.000 0.000) 0.000 2.871 ( 0.000 0.000 -0.000) 0.000 3.407 ( 0.000 0.000 0.000) 0.000 3.463 ( 0.000 0.000 -0.000) 0.000 3.608 ( 0.000 0.000 0.000) 0.000 3.609 ( 0.000 0.000 -0.000) 0.000 3.686 ( 0.000 0.000 0.000) 0.000 3.932 ( 0.000 0.000 0.000) 0.000 4.170 ( 0.000 0.000 0.000) 0.000 4.217 ( 0.000 0.000 -0.000) 0.000 4.331 ( -0.000 0.000 -0.000) 0.000 4.349 ( 0.000 0.000 0.000) 0.000 4.861 ( 0.000 0.000 0.000) 0.000 4.891 ( 0.000 0.000 -0.000) 0.000 4.956 ( 0.000 0.000 0.000) 0.000 4.972 ( 0.000 0.000 0.000) 0.000 5.059 ( 0.000 0.000 -0.000) 0.000 5.206 ( 0.000 0.000 0.000) 0.000 5.663 ( 0.000 0.000 -0.000) 0.000 5.744 ( 0.000 0.000 0.000) 0.000 6.018 ( 0.000 0.000 -0.000) 0.000 6.170 ( 0.000 0.000 0.000) 0.000 6.428 ( 0.000 0.000 0.000) 0.000 6.465 ( 0.000 0.000 0.000) 0.000 6.633 ( -0.000 0.000 0.000) 0.000 6.674 ( 0.000 0.000 -0.000) 0.000 6.782 ( 0.000 0.000 -0.000) 0.000 6.829 ( 0.000 0.000 0.000) 0.000 6.874 ( 0.000 0.000 0.000) 0.000 7.009 ( 0.000 0.000 -0.000) 0.000 7.594 ( 0.000 0.000 0.000) 0.000 7.948 ( 0.000 0.000 0.000) 0.000 8.340 ( 0.000 0.000 -0.000) 0.000 8.392 ( 0.000 0.000 -0.000) 0.000 8.539 ( 0.000 0.000 -0.000) 0.000 8.548 ( 0.000 0.000 0.000) 0.000 8.700 ( 0.000 0.000 0.000) 0.000 8.866 ( 0.000 0.000 -0.000) 0.000 9.113 ( 0.000 0.000 0.000) 0.000 9.156 ( 0.000 0.000 0.000) 0.000 9.663 ( 0.000 0.000 -0.000) 0.000 9.736 ( 0.000 0.000 -0.000) 0.000 9.813 ( 0.000 0.000 0.000) 0.000 10.588 ( 0.000 0.000 0.000) 0.000 10.610 ( 0.000 0.000 0.000) 0.000 10.687 ( 0.000 0.000 -0.000) 0.000 10.781 ( 0.000 0.000 0.000) 0.000 11.206 ( 0.000 0.000 0.000) 0.000 11.474 ( -0.000 0.000 0.000) 0.000 11.525 ( 0.000 0.000 -0.000) 0.000 11.864 ( 0.000 0.000 0.000) 0.000 11.898 ( 0.000 0.000 0.000) 0.000 11.951 ( 0.000 0.000 0.000) 0.000 12.078 ( 0.000 0.000 -0.000) 0.000 12.394 ( 0.000 0.000 0.000) 0.000 12.499 ( 0.000 0.000 0.000) 0.000 12.824 ( 0.000 0.000 0.000) 0.000 13.291 ( 0.000 0.000 0.000) 0.000 13.322 ( 0.000 0.000 -0.000) 0.000 13.680 ( 0.000 0.000 -0.000) 0.000 13.888 ( 0.000 0.000 0.000) 0.000 14.097 ( -0.000 0.000 0.000) 0.000 14.136 ( 0.000 0.000 -0.000) 0.000 14.376 ( 0.000 0.000 -0.000) 0.000 15.076 ( 0.000 0.000 0.000) 0.000 15.326 ( 0.000 0.000 -0.000) 0.000 15.693 ( 0.000 0.000 0.000) 0.000 16.240 ( 0.000 0.000 0.000) 0.000 16.337 ( 0.000 0.000 0.000) 0.000 17.051 ( 0.000 0.000 -0.000) 0.000 19.593 ( 0.000 0.000 0.000) 0.000 19.926 ( 0.000 0.000 -0.000) 0.000 19.944 ( 0.000 0.000 -0.000) 0.000 20.008 ( 0.000 0.000 0.000) 0.000 21.481 ( 0.000 0.000 -0.000) 0.000 21.567 ( 0.000 0.000 0.000) 0.000 21.658 ( 0.000 0.000 0.000) 0.000 21.889 ( 0.000 0.000 -0.000) 0.000 22.514 ( 0.000 0.000 0.000) 0.000 23.021 ( 0.000 0.000 0.000) 0.000 23.310 ( 0.000 0.000 0.000) 0.000 23.346 ( 0.000 0.000 -0.000) 0.000 23.976 ( 0.000 0.000 0.000) 0.000 24.302 ( 0.000 0.000 0.000) 0.000 24.662 ( 0.000 0.000 0.000) 0.000 24.724 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 7 (5/104) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 0.000 28.620 0.000) 28.620 0.623 ( 0.000 29.623 0.000) 29.623 1.260 ( 0.000 57.207 0.000) 57.207 1.970 ( 0.000 6.554 0.000) 6.554 2.269 ( 0.000 11.085 0.000) 11.085 2.456 ( 0.000 -1.976 0.000) 1.976 2.567 ( 0.000 2.861 0.000) 2.861 2.610 ( 0.000 3.775 0.000) 3.775 2.816 ( 0.000 8.112 0.000) 8.112 2.858 ( 0.000 9.380 0.000) 9.380 3.009 ( 0.000 1.613 0.000) 1.613 3.203 ( 0.000 -3.771 0.000) 3.771 3.448 ( 0.000 -1.632 0.000) 1.632 3.582 ( 0.000 -12.031 0.000) 12.031 3.585 ( 0.000 8.434 0.000) 8.434 3.760 ( 0.000 2.786 0.000) 2.786 3.938 ( 0.000 -3.449 0.000) 3.449 4.016 ( 0.000 -2.271 0.000) 2.271 4.039 ( 0.000 2.607 0.000) 2.607 4.174 ( 0.000 5.119 0.000) 5.119 4.446 ( 0.000 12.352 0.000) 12.352 4.494 ( 0.000 -6.695 0.000) 6.695 4.719 ( 0.000 -6.138 0.000) 6.138 4.870 ( 0.000 2.033 0.000) 2.033 4.938 ( 0.000 -8.118 0.000) 8.118 5.040 ( 0.000 10.191 0.000) 10.191 5.096 ( 0.000 -12.143 0.000) 12.143 5.362 ( 0.000 2.759 0.000) 2.759 5.526 ( 0.000 -3.298 0.000) 3.298 5.549 ( 0.000 2.950 0.000) 2.950 5.866 ( 0.000 -6.267 0.000) 6.267 5.955 ( 0.000 10.491 0.000) 10.491 6.147 ( 0.000 -3.287 0.000) 3.287 6.415 ( 0.000 -1.161 0.000) 1.161 6.435 ( 0.000 -3.137 0.000) 3.137 6.533 ( 0.000 -1.883 0.000) 1.883 6.779 ( 0.000 -4.036 0.000) 4.036 7.010 ( 0.000 -2.471 0.000) 2.471 7.143 ( 0.000 4.690 0.000) 4.690 7.483 ( 0.000 -2.978 0.000) 2.978 7.721 ( 0.000 3.836 0.000) 3.836 7.910 ( 0.000 -2.029 0.000) 2.029 8.209 ( 0.000 1.309 0.000) 1.309 8.289 ( 0.000 -2.600 0.000) 2.600 8.498 ( 0.000 3.883 0.000) 3.883 8.541 ( 0.000 -3.040 0.000) 3.040 8.798 ( 0.000 -6.335 0.000) 6.335 8.902 ( 0.000 -2.578 0.000) 2.578 9.060 ( 0.000 1.564 0.000) 1.564 9.260 ( 0.000 4.132 0.000) 4.132 9.644 ( 0.000 1.294 0.000) 1.294 9.669 ( 0.000 4.062 0.000) 4.062 9.890 ( 0.000 0.699 0.000) 0.699 10.646 ( 0.000 0.566 0.000) 0.566 10.840 ( 0.000 -0.555 0.000) 0.555 10.844 ( 0.000 -2.360 0.000) 2.360 10.895 ( 0.000 2.220 0.000) 2.220 11.062 ( 0.000 0.382 0.000) 0.382 11.336 ( 0.000 -5.710 0.000) 5.710 11.390 ( 0.000 -0.044 0.000) 0.044 11.583 ( 0.000 -5.463 0.000) 5.463 11.585 ( 0.000 0.484 0.000) 0.484 11.910 ( 0.000 -7.179 0.000) 7.179 12.184 ( 0.000 -2.871 0.000) 2.871 12.532 ( 0.000 -0.727 0.000) 0.727 12.539 ( 0.000 -0.257 0.000) 0.257 12.679 ( 0.000 6.049 0.000) 6.049 12.936 ( 0.000 -1.101 0.000) 1.101 13.506 ( 0.000 -5.392 0.000) 5.392 13.540 ( 0.000 -10.048 0.000) 10.048 14.015 ( 0.000 -2.525 0.000) 2.525 14.068 ( 0.000 -2.562 0.000) 2.562 14.198 ( 0.000 -4.534 0.000) 4.534 14.473 ( 0.000 11.831 0.000) 11.831 15.008 ( 0.000 21.297 0.000) 21.297 15.618 ( 0.000 -3.061 0.000) 3.061 15.850 ( 0.000 -1.939 0.000) 1.939 15.874 ( 0.000 -0.376 0.000) 0.376 16.436 ( 0.000 5.204 0.000) 5.204 17.011 ( 0.000 -2.784 0.000) 2.784 19.636 ( 0.000 -4.072 0.000) 4.072 19.730 ( 0.000 -3.649 0.000) 3.649 19.996 ( 0.000 6.700 0.000) 6.700 20.004 ( 0.000 7.330 0.000) 7.330 20.892 ( 0.000 -0.983 0.000) 0.983 21.418 ( 0.000 -9.414 0.000) 9.414 21.514 ( 0.000 0.945 0.000) 0.945 21.683 ( 0.000 2.146 0.000) 2.146 22.588 ( 0.000 -5.880 0.000) 5.880 22.863 ( 0.000 -7.160 0.000) 7.160 23.414 ( 0.000 4.016 0.000) 4.016 23.537 ( 0.000 4.477 0.000) 4.477 24.311 ( 0.000 -2.207 0.000) 2.207 24.522 ( 0.000 -7.974 0.000) 7.974 24.824 ( 0.000 8.612 0.000) 8.612 25.097 ( 0.000 7.284 0.000) 7.284 ======================= Grid point 8 (6/104) ======================= q-point: ( 0.17 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 10.976 19.818 4.599) 23.117 0.679 ( 6.000 26.018 1.910) 26.769 1.612 ( 28.764 45.304 2.366) 53.716 1.936 ( -3.364 6.614 -0.080) 7.421 2.247 ( -3.201 11.508 0.606) 11.961 2.436 ( -1.893 0.294 2.274) 2.973 2.514 ( -5.649 1.595 -1.920) 6.176 2.585 ( -1.347 4.044 -2.706) 5.049 2.764 ( -2.613 9.866 -0.464) 10.217 2.840 ( -4.955 2.917 4.310) 7.186 3.025 ( 2.299 4.631 -3.404) 6.190 3.177 ( -4.505 -4.171 -2.923) 6.800 3.423 ( -3.647 4.994 1.232) 6.305 3.531 ( -2.812 -6.405 -0.742) 7.034 3.598 ( 0.624 2.733 0.798) 2.915 3.716 ( -3.374 3.223 1.897) 5.037 3.840 ( -4.885 -2.025 0.952) 5.373 3.975 ( -3.724 0.937 -0.307) 3.853 4.032 ( 0.113 -6.639 -1.593) 6.828 4.204 ( -3.192 -0.384 -4.709) 5.702 4.502 ( 0.340 -2.599 -2.093) 3.354 4.523 ( 6.946 11.747 5.931) 14.880 4.684 ( -3.964 -4.354 -0.298) 5.895 4.837 ( -2.662 0.353 -1.400) 3.028 4.899 ( -0.428 -1.535 -0.732) 1.753 5.091 ( 1.749 4.577 2.335) 5.427 5.203 ( 6.887 -12.922 2.404) 14.839 5.396 ( -4.234 -3.212 2.206) 5.754 5.468 ( -0.798 2.165 1.799) 2.926 5.550 ( 2.224 0.251 -0.863) 2.399 5.894 ( 2.026 -8.567 -0.410) 8.813 6.021 ( 6.082 7.557 2.882) 10.120 6.201 ( 6.264 -4.746 -2.776) 8.335 6.417 ( -0.021 -1.643 2.578) 3.057 6.433 ( 0.006 -2.555 -0.935) 2.721 6.594 ( 5.604 -3.244 -1.312) 6.607 6.791 ( 0.626 -3.942 1.472) 4.254 7.000 ( -2.446 -3.525 -1.284) 4.478 7.021 ( -9.756 7.069 -6.286) 13.589 7.290 ( -12.111 6.943 9.114) 16.672 7.767 ( 3.549 2.927 -0.461) 4.623 7.852 ( -5.582 0.850 2.250) 6.078 8.239 ( 1.647 -6.087 -12.034) 13.586 8.372 ( 7.909 1.229 -1.539) 8.150 8.489 ( -0.872 2.876 6.355) 7.030 8.530 ( -0.091 -1.108 -4.688) 4.818 8.706 ( -4.743 -5.497 -4.343) 8.460 8.976 ( 3.242 -2.029 1.022) 3.959 9.060 ( 0.466 1.716 1.354) 2.235 9.222 ( -3.521 2.498 -1.505) 4.572 9.673 ( 2.458 1.713 1.973) 3.587 9.678 ( 1.026 4.176 -1.936) 4.716 9.886 ( -0.957 1.684 2.922) 3.506 10.593 ( -4.984 -0.313 2.018) 5.386 10.693 ( -6.247 3.933 -0.200) 7.385 10.844 ( -1.025 2.979 -3.283) 4.550 10.917 ( -1.681 4.761 -6.288) 8.064 11.051 ( 5.548 -1.592 0.843) 5.833 11.299 ( -0.986 0.792 -5.037) 5.193 11.476 ( 0.171 -7.202 7.393) 10.322 11.540 ( 6.862 -3.782 8.426) 11.506 11.736 ( 5.373 -3.319 0.054) 6.315 11.945 ( 3.270 -8.120 3.118) 9.292 12.149 ( -4.067 -2.900 -3.087) 5.872 12.437 ( -4.197 -3.126 -1.735) 5.514 12.584 ( -4.741 1.370 0.624) 4.975 12.828 ( 12.434 -9.718 1.447) 15.847 12.936 ( -0.585 0.947 1.327) 1.733 13.436 ( -4.138 -5.752 -1.953) 7.350 13.596 ( 3.478 -3.355 -0.808) 4.899 13.962 ( -2.682 -2.953 -8.058) 8.992 14.029 ( -1.401 -7.512 -6.608) 10.102 14.165 ( -1.762 12.906 11.705) 17.512 14.704 ( 13.993 -3.480 1.335) 14.481 14.973 ( -2.760 24.187 -4.353) 24.730 15.592 ( -8.523 10.094 0.507) 13.220 15.634 ( 1.532 -1.083 -2.805) 3.375 16.074 ( 3.816 -13.569 11.511) 18.199 16.391 ( -3.855 5.947 1.335) 7.211 17.071 ( 3.306 -1.113 3.250) 4.768 19.599 ( -2.083 -1.580 2.214) 3.426 19.783 ( 3.224 -8.168 -8.041) 11.907 19.994 ( 0.519 6.541 1.721) 6.783 20.064 ( 4.808 4.391 -14.584) 15.972 21.115 ( 14.260 -19.786 15.077) 28.674 21.413 ( -0.446 -9.315 -0.379) 9.334 21.537 ( 2.244 0.248 1.646) 2.794 21.683 ( 0.057 2.010 -0.120) 2.014 22.580 ( -0.536 -3.805 -0.551) 3.882 22.891 ( 2.706 -10.389 0.749) 10.762 23.409 ( -0.513 4.802 -0.289) 4.838 23.507 ( -3.311 6.676 0.071) 7.453 24.231 ( -8.290 1.698 -5.384) 10.030 24.456 ( -5.515 -0.452 4.373) 7.053 24.815 ( -0.825 10.336 -2.655) 10.703 24.870 ( -10.975 18.115 4.303) 21.613 ======================= Grid point 9 (7/104) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 5.914 22.168 1.921) 23.023 1.041 ( 27.675 2.013 5.155) 28.223 1.853 ( -4.605 7.270 -1.598) 8.753 1.998 ( -6.861 10.007 -2.235) 12.337 2.229 ( 16.120 25.098 4.645) 30.188 2.420 ( 0.044 4.475 2.670) 5.211 2.440 ( 0.005 5.173 -3.245) 6.107 2.566 ( 0.324 6.204 0.220) 6.217 2.712 ( -4.237 1.991 2.007) 5.093 2.753 ( -2.937 6.569 2.908) 7.761 2.996 ( -9.359 -0.625 -4.488) 10.398 3.037 ( -3.423 10.222 -5.468) 12.087 3.375 ( -0.962 5.261 0.229) 5.353 3.539 ( 2.410 -2.806 2.693) 4.575 3.598 ( -0.786 -0.999 0.982) 1.607 3.663 ( -4.428 5.167 1.123) 6.897 3.748 ( -4.941 -2.811 1.100) 5.790 3.899 ( -5.265 -0.066 -1.041) 5.367 4.010 ( -0.269 -8.112 -0.540) 8.135 4.127 ( -2.841 -6.138 -3.803) 7.759 4.476 ( -0.614 8.812 -0.539) 8.850 4.612 ( -1.557 0.832 -4.234) 4.587 4.646 ( 0.666 0.536 5.272) 5.340 4.793 ( 2.044 -0.609 -4.767) 5.222 4.940 ( 2.968 1.653 0.887) 3.512 5.065 ( -4.987 -0.994 2.132) 5.514 5.235 ( -8.266 -0.591 2.493) 8.654 5.299 ( 0.675 3.277 0.526) 3.386 5.489 ( 3.305 -5.831 0.234) 6.706 5.656 ( 5.843 -1.331 2.739) 6.589 5.911 ( -0.264 -9.803 -0.266) 9.811 6.141 ( 5.289 2.360 3.140) 6.588 6.335 ( 7.318 -5.041 -5.461) 10.430 6.419 ( -0.864 -3.759 3.483) 5.197 6.456 ( 3.670 -2.628 0.936) 4.609 6.685 ( 3.897 -2.383 -2.959) 5.443 6.770 ( -3.513 -2.414 -0.879) 4.353 6.864 ( -1.887 2.007 -1.165) 2.991 6.966 ( -2.913 1.518 -0.166) 3.289 7.133 ( -7.824 4.509 3.060) 9.535 7.699 ( -6.003 4.004 -0.450) 7.230 7.885 ( 4.381 0.076 1.059) 4.508 8.246 ( 1.794 -7.830 -6.761) 10.499 8.417 ( -1.758 0.675 4.362) 4.751 8.512 ( -0.034 -2.681 -2.025) 3.360 8.518 ( 0.199 2.548 -3.159) 4.064 8.702 ( 5.807 -0.746 -1.245) 5.985 8.953 ( -4.952 1.818 1.098) 5.388 9.107 ( 3.136 -1.276 -0.198) 3.392 9.151 ( -3.174 1.109 -0.596) 3.414 9.690 ( 0.800 3.332 -1.392) 3.699 9.723 ( 1.856 2.257 2.078) 3.585 9.881 ( -0.213 4.617 2.881) 5.446 10.530 ( -2.396 -2.932 1.951) 4.260 10.633 ( -1.476 1.848 0.481) 2.414 10.800 ( -2.573 0.712 -1.953) 3.308 10.866 ( -1.056 9.974 -3.437) 10.603 11.182 ( 4.921 -4.436 -4.516) 8.018 11.298 ( 2.818 -2.239 -0.696) 3.666 11.475 ( 0.208 -5.551 5.301) 7.678 11.731 ( 7.152 -3.207 8.112) 11.280 11.817 ( 5.065 -3.269 0.985) 6.109 12.001 ( -1.956 -3.033 9.000) 9.696 12.063 ( -0.896 -3.327 -7.566) 8.314 12.332 ( -5.082 -7.159 -6.353) 10.837 12.494 ( -4.713 -3.363 0.071) 5.791 12.913 ( -1.594 4.323 1.438) 4.826 12.994 ( 5.314 -11.268 0.984) 12.497 13.367 ( -2.668 -1.619 -2.349) 3.906 13.649 ( 2.364 -0.940 -0.729) 2.647 13.908 ( -1.358 -6.768 -4.235) 8.098 14.019 ( 1.723 -7.037 -6.757) 9.907 14.159 ( -2.288 13.901 10.833) 17.771 14.879 ( 4.237 12.190 -5.285) 13.945 14.918 ( -0.514 11.294 1.706) 11.434 15.523 ( -0.926 11.511 2.144) 11.745 15.663 ( 1.689 -1.201 -1.006) 2.304 16.116 ( -0.287 -15.360 5.226) 16.228 16.327 ( -2.991 5.690 0.251) 6.433 17.117 ( 1.165 2.558 1.846) 3.363 19.576 ( -1.062 -1.706 1.084) 2.284 19.803 ( 1.027 -7.836 -3.419) 8.611 20.013 ( 0.812 6.581 2.014) 6.930 20.086 ( 1.480 4.584 -9.677) 10.810 21.320 ( 5.200 -21.592 6.972) 23.278 21.402 ( -0.533 -10.600 -1.328) 10.696 21.595 ( 2.826 -2.376 3.190) 4.879 21.683 ( -0.090 1.473 -0.685) 1.627 22.571 ( -0.269 -1.314 -0.455) 1.416 22.950 ( 3.110 -16.490 0.744) 16.798 23.383 ( -2.827 12.065 -0.281) 12.395 23.441 ( -2.382 6.161 -0.156) 6.607 24.083 ( -4.827 6.174 -1.766) 8.034 24.402 ( -1.807 2.296 2.378) 3.767 24.775 ( -0.987 12.753 -1.005) 12.830 24.808 ( -1.199 7.912 1.684) 8.178 ======================= Grid point 10 (8/104) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( -0.000 20.642 -0.000) 20.642 1.487 ( -0.000 0.033 0.000) 0.033 1.651 ( 0.000 -0.230 0.000) 0.230 1.851 ( 0.000 9.983 0.000) 9.983 2.418 ( -0.000 3.137 0.000) 3.137 2.420 ( 0.000 7.136 -0.000) 7.136 2.471 ( -0.000 8.001 0.000) 8.001 2.584 ( 0.000 0.892 0.000) 0.892 2.715 ( 0.000 7.167 -0.000) 7.167 2.805 ( -0.000 18.510 -0.000) 18.510 2.882 ( 0.000 18.434 0.000) 18.434 2.889 ( 0.000 1.731 -0.000) 1.731 3.369 ( 0.000 4.181 -0.000) 4.181 3.558 ( -0.000 -1.145 0.000) 1.145 3.605 ( -0.000 -0.780 -0.000) 0.780 3.612 ( 0.000 3.317 0.000) 3.317 3.706 ( 0.000 3.779 0.000) 3.779 3.822 ( 0.000 -7.470 0.000) 7.470 4.020 ( 0.000 -9.282 -0.000) 9.282 4.088 ( 0.000 -6.950 -0.000) 6.950 4.477 ( 0.000 9.435 -0.000) 9.435 4.607 ( 0.000 13.877 -0.000) 13.877 4.618 ( -0.000 -13.154 0.000) 13.154 4.863 ( -0.000 0.586 0.000) 0.586 4.977 ( -0.000 3.120 -0.000) 3.120 4.977 ( 0.000 -3.825 0.000) 3.825 5.140 ( 0.000 2.169 -0.000) 2.169 5.305 ( 0.000 8.615 -0.000) 8.615 5.536 ( 0.000 -8.892 -0.000) 8.892 5.720 ( 0.000 -2.143 -0.000) 2.143 5.899 ( 0.000 -9.522 -0.000) 9.522 6.201 ( 0.000 1.023 -0.000) 1.023 6.388 ( 0.000 -2.993 -0.000) 2.993 6.411 ( -0.000 -4.473 0.000) 4.473 6.525 ( 0.000 -8.753 0.000) 8.753 6.701 ( 0.000 0.386 -0.000) 0.386 6.746 ( 0.000 -2.316 -0.000) 2.316 6.859 ( 0.000 2.303 -0.000) 2.303 6.929 ( 0.000 3.793 -0.000) 3.793 7.048 ( -0.000 1.489 0.000) 1.489 7.639 ( 0.000 4.368 -0.000) 4.368 7.931 ( 0.000 -1.384 0.000) 1.384 8.258 ( 0.000 -8.642 -0.000) 8.642 8.399 ( -0.000 0.982 0.000) 0.982 8.505 ( 0.000 -3.506 -0.000) 3.506 8.512 ( 0.000 2.674 0.000) 2.674 8.830 ( 0.000 5.825 -0.000) 5.825 8.840 ( -0.000 -1.714 -0.000) 1.714 9.116 ( 0.000 0.169 -0.000) 0.169 9.142 ( -0.000 -1.348 0.000) 1.348 9.696 ( 0.000 2.992 -0.000) 2.992 9.742 ( 0.000 2.143 0.000) 2.143 9.885 ( 0.000 6.247 0.000) 6.247 10.510 ( 0.000 -4.738 0.000) 4.738 10.623 ( 0.000 1.267 -0.000) 1.267 10.771 ( 0.000 0.058 -0.000) 0.058 10.854 ( 0.000 10.980 0.000) 10.980 11.203 ( 0.000 -0.097 -0.000) 0.097 11.342 ( -0.000 -11.093 0.000) 11.093 11.500 ( 0.000 -2.137 -0.000) 2.137 11.793 ( 0.000 -5.140 -0.000) 5.140 11.895 ( -0.000 -0.521 0.000) 0.521 11.974 ( 0.000 0.343 0.000) 0.343 12.045 ( 0.000 -3.492 -0.000) 3.492 12.283 ( 0.000 -8.852 -0.000) 8.852 12.435 ( 0.000 -6.913 0.000) 6.913 12.897 ( 0.000 5.732 0.000) 5.732 13.043 ( 0.000 -10.472 0.000) 10.472 13.338 ( 0.000 0.051 0.000) 0.051 13.671 ( 0.000 -0.805 -0.000) 0.805 13.891 ( 0.000 -7.989 0.000) 7.989 14.032 ( 0.000 -9.088 -0.000) 9.088 14.148 ( 0.000 15.675 -0.000) 15.675 14.872 ( -0.000 30.751 0.000) 30.751 14.951 ( 0.000 -6.207 -0.000) 6.207 15.524 ( 0.000 12.297 -0.000) 12.297 15.679 ( 0.000 -0.898 0.000) 0.898 16.117 ( 0.000 -15.924 0.000) 15.924 16.297 ( 0.000 5.350 -0.000) 5.350 17.129 ( 0.000 3.702 0.000) 3.702 19.567 ( 0.000 -1.769 0.000) 1.769 19.808 ( 0.000 -7.707 -0.000) 7.707 20.025 ( 0.000 6.808 0.000) 6.808 20.084 ( 0.000 4.642 -0.000) 4.642 21.382 ( -0.000 -8.367 -0.000) 8.367 21.383 ( 0.000 -21.535 0.000) 21.535 21.630 ( 0.000 -3.674 0.000) 3.674 21.679 ( -0.000 1.073 -0.000) 1.073 22.568 ( 0.000 -0.486 0.000) 0.486 22.985 ( 0.000 -20.888 -0.000) 20.888 23.343 ( 0.000 18.840 0.000) 18.840 23.425 ( 0.000 3.752 0.000) 3.752 24.042 ( 0.000 5.222 0.000) 5.222 24.389 ( 0.000 2.444 -0.000) 2.444 24.769 ( 0.000 10.161 0.000) 10.161 24.798 ( 0.000 8.305 -0.000) 8.305 ======================= Grid point 14 (9/104) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 0.000 25.582 0.000) 25.582 1.242 ( 0.000 28.985 0.000) 28.985 2.110 ( 0.000 4.798 0.000) 4.798 2.272 ( 0.000 28.680 0.000) 28.680 2.390 ( 0.000 -2.622 0.000) 2.622 2.407 ( 0.000 2.533 0.000) 2.533 2.684 ( 0.000 6.707 0.000) 6.707 2.778 ( 0.000 16.332 0.000) 16.332 2.984 ( 0.000 -4.115 0.000) 4.115 3.027 ( 0.000 12.141 0.000) 12.141 3.105 ( 0.000 7.241 0.000) 7.241 3.230 ( 0.000 10.128 0.000) 10.128 3.348 ( 0.000 -4.887 0.000) 4.887 3.475 ( 0.000 1.769 0.000) 1.769 3.605 ( 0.000 -4.947 0.000) 4.947 3.667 ( 0.000 -8.823 0.000) 8.823 3.904 ( 0.000 -7.776 0.000) 7.776 4.051 ( 0.000 10.005 0.000) 10.005 4.189 ( 0.000 2.839 0.000) 2.839 4.282 ( 0.000 7.304 0.000) 7.304 4.369 ( 0.000 1.098 0.000) 1.098 4.586 ( 0.000 -5.708 0.000) 5.708 4.701 ( 0.000 -13.619 0.000) 13.619 4.744 ( 0.000 14.958 0.000) 14.958 4.846 ( 0.000 -6.912 0.000) 6.912 4.946 ( 0.000 0.354 0.000) 0.354 5.291 ( 0.000 11.208 0.000) 11.208 5.353 ( 0.000 -5.952 0.000) 5.952 5.554 ( 0.000 -1.404 0.000) 1.404 5.554 ( 0.000 8.475 0.000) 8.475 5.692 ( 0.000 -9.990 0.000) 9.990 6.064 ( 0.000 -3.832 0.000) 3.832 6.224 ( 0.000 13.826 0.000) 13.826 6.349 ( 0.000 -3.377 0.000) 3.377 6.360 ( 0.000 -3.396 0.000) 3.396 6.524 ( 0.000 -0.173 0.000) 0.173 6.657 ( 0.000 -6.842 0.000) 6.842 6.900 ( 0.000 -6.939 0.000) 6.939 7.165 ( 0.000 -4.501 0.000) 4.501 7.355 ( 0.000 -9.648 0.000) 9.648 7.824 ( 0.000 5.632 0.000) 5.632 7.924 ( 0.000 3.488 0.000) 3.488 8.239 ( 0.000 1.520 0.000) 1.520 8.252 ( 0.000 -0.167 0.000) 0.167 8.483 ( 0.000 -2.169 0.000) 2.169 8.584 ( 0.000 2.595 0.000) 2.595 8.658 ( 0.000 -5.291 0.000) 5.291 8.827 ( 0.000 -3.995 0.000) 3.995 9.081 ( 0.000 0.384 0.000) 0.384 9.282 ( 0.000 -2.711 0.000) 2.711 9.706 ( 0.000 4.433 0.000) 4.433 9.840 ( 0.000 10.869 0.000) 10.869 9.908 ( 0.000 2.136 0.000) 2.136 10.628 ( 0.000 -2.908 0.000) 2.908 10.801 ( 0.000 -1.411 0.000) 1.411 10.815 ( 0.000 -2.186 0.000) 2.186 10.939 ( 0.000 1.501 0.000) 1.501 11.066 ( 0.000 -0.230 0.000) 0.230 11.188 ( 0.000 -6.731 0.000) 6.731 11.404 ( 0.000 1.643 0.000) 1.643 11.436 ( 0.000 -7.584 0.000) 7.584 11.612 ( 0.000 1.701 0.000) 1.701 11.760 ( 0.000 -5.777 0.000) 5.777 12.082 ( 0.000 -6.812 0.000) 6.812 12.536 ( 0.000 1.188 0.000) 1.188 12.555 ( 0.000 1.990 0.000) 1.990 12.776 ( 0.000 2.057 0.000) 2.057 12.862 ( 0.000 -5.831 0.000) 5.831 13.383 ( 0.000 -3.917 0.000) 3.917 13.399 ( 0.000 -3.851 0.000) 3.851 13.889 ( 0.000 -3.767 0.000) 3.767 14.018 ( 0.000 -2.562 0.000) 2.562 14.302 ( 0.000 8.076 0.000) 8.076 14.641 ( 0.000 2.941 0.000) 2.941 15.390 ( 0.000 14.433 0.000) 14.433 15.604 ( 0.000 2.505 0.000) 2.505 15.803 ( 0.000 -2.192 0.000) 2.192 15.863 ( 0.000 -0.655 0.000) 0.655 16.553 ( 0.000 5.518 0.000) 5.518 16.924 ( 0.000 -5.352 0.000) 5.352 19.568 ( 0.000 -2.100 0.000) 2.100 19.652 ( 0.000 -3.593 0.000) 3.593 20.162 ( 0.000 8.592 0.000) 8.592 20.169 ( 0.000 7.854 0.000) 7.854 20.856 ( 0.000 -2.316 0.000) 2.316 21.190 ( 0.000 -11.810 0.000) 11.810 21.547 ( 0.000 2.236 0.000) 2.236 21.698 ( 0.000 -0.620 0.000) 0.620 22.473 ( 0.000 -3.863 0.000) 3.863 22.693 ( 0.000 -8.242 0.000) 8.242 23.515 ( 0.000 5.162 0.000) 5.162 23.626 ( 0.000 3.354 0.000) 3.354 24.267 ( 0.000 -1.778 0.000) 1.778 24.364 ( 0.000 -6.391 0.000) 6.391 25.025 ( 0.000 9.498 0.000) 9.498 25.228 ( 0.000 4.416 0.000) 4.416 ======================= Grid point 15 (10/104) ======================= q-point: ( 0.17 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -4.431 26.759 2.478) 27.236 1.224 ( 3.391 25.024 -0.256) 25.254 2.086 ( -2.865 5.232 0.281) 5.972 2.304 ( -3.080 7.970 -1.957) 8.766 2.404 ( 1.888 -0.851 -2.610) 3.332 2.416 ( 0.583 1.871 2.828) 3.441 2.655 ( -2.095 8.958 -0.498) 9.213 2.813 ( 4.811 22.698 -0.161) 23.203 2.875 ( -5.881 3.969 -0.724) 7.131 2.991 ( -3.430 8.429 0.534) 9.116 3.123 ( 0.051 7.290 -1.874) 7.527 3.268 ( 0.898 12.054 -2.977) 12.449 3.365 ( 3.214 -4.281 2.754) 6.020 3.475 ( 0.806 -3.315 1.547) 3.746 3.574 ( -2.546 -3.156 1.347) 4.273 3.712 ( 3.124 -7.572 0.104) 8.192 3.854 ( -5.680 -9.167 0.373) 10.790 3.955 ( -10.797 15.711 -0.325) 19.066 4.069 ( -5.156 6.592 -1.644) 8.528 4.196 ( -2.966 -1.328 -5.092) 6.040 4.479 ( 2.047 1.221 2.568) 3.504 4.623 ( 4.601 -2.045 -2.423) 5.588 4.686 ( -2.150 -2.027 1.639) 3.379 4.759 ( 1.369 -3.154 7.439) 8.195 4.965 ( 3.963 5.083 -1.992) 6.746 5.019 ( 11.543 -0.841 3.534) 12.101 5.266 ( -4.664 8.551 -1.603) 9.871 5.302 ( -3.473 -5.100 0.296) 6.178 5.487 ( -1.289 -0.883 1.525) 2.183 5.590 ( 0.367 5.059 2.343) 5.587 5.710 ( 1.201 -8.894 -1.519) 9.102 6.079 ( 1.910 -5.430 -2.635) 6.331 6.233 ( 0.899 10.446 1.168) 10.550 6.345 ( -0.929 -3.248 4.256) 5.434 6.364 ( 0.703 -3.558 -3.150) 4.804 6.588 ( 6.509 1.424 -1.884) 6.925 6.669 ( 0.675 -7.097 0.023) 7.129 6.882 ( -1.689 -7.145 -1.045) 7.416 7.073 ( -7.889 -2.967 -4.032) 9.343 7.286 ( -6.869 -6.366 3.969) 10.172 7.849 ( 2.403 3.886 -0.142) 4.571 7.891 ( -3.807 3.812 0.343) 5.398 8.145 ( -3.174 -1.328 -2.883) 4.489 8.389 ( 6.784 0.017 -1.881) 7.040 8.471 ( -1.900 -2.311 0.680) 3.068 8.588 ( 0.835 -1.657 0.338) 1.886 8.602 ( -1.502 1.923 -2.315) 3.364 8.893 ( 4.465 -5.102 -0.859) 6.834 9.081 ( -0.406 0.397 2.259) 2.329 9.240 ( -3.978 -1.728 -0.220) 4.343 9.731 ( 2.706 3.712 -3.456) 5.748 9.838 ( -1.093 7.970 5.258) 9.611 9.932 ( 2.881 5.201 0.345) 5.956 10.550 ( -6.250 -3.352 1.977) 7.362 10.732 ( -4.240 0.802 -1.053) 4.442 10.891 ( 1.715 -4.610 -1.521) 5.148 10.924 ( 1.724 2.847 -3.484) 4.818 11.070 ( 1.037 1.359 -1.046) 2.004 11.292 ( 6.960 -2.479 1.799) 7.604 11.338 ( -5.059 -3.738 0.687) 6.327 11.462 ( 5.714 -2.071 6.335) 8.779 11.714 ( 4.249 0.612 2.283) 4.862 11.753 ( 2.059 -9.086 2.404) 9.622 12.045 ( -3.127 -6.940 -4.007) 8.602 12.385 ( -8.855 -1.419 -2.201) 9.234 12.549 ( -10.295 -3.816 1.035) 11.028 12.779 ( 8.222 1.562 1.026) 8.431 12.966 ( 4.662 1.155 -0.292) 4.812 13.356 ( -0.713 -1.482 -0.733) 1.801 13.488 ( 6.689 -5.713 -0.551) 8.814 13.863 ( -1.949 -4.657 -2.286) 5.542 13.938 ( -5.365 -1.076 -6.319) 8.359 14.380 ( 3.841 8.033 7.672) 11.753 14.691 ( 5.323 -0.102 -0.094) 5.325 15.421 ( 2.861 16.098 -1.784) 16.447 15.588 ( -1.962 0.528 2.040) 2.879 15.770 ( -0.733 4.672 -2.922) 5.559 15.869 ( -0.798 -5.734 2.087) 6.154 16.530 ( -2.212 6.709 -0.176) 7.067 16.989 ( 5.336 -6.101 2.712) 8.547 19.561 ( -0.956 -1.596 1.315) 2.278 19.654 ( 0.377 -4.437 -1.633) 4.743 20.156 ( -0.056 8.340 2.464) 8.696 20.194 ( 2.095 7.173 -5.188) 9.098 20.896 ( 3.460 -5.612 3.301) 7.373 21.185 ( -0.468 -11.881 -0.544) 11.903 21.559 ( 1.170 1.748 0.694) 2.215 21.697 ( -0.045 -0.632 -0.472) 0.790 22.478 ( 0.675 -4.221 -0.395) 4.293 22.677 ( -1.714 -9.027 0.113) 9.189 23.515 ( 0.058 5.135 -0.462) 5.156 23.622 ( -0.503 3.853 0.094) 3.887 24.230 ( -3.174 -0.559 -2.861) 4.310 24.363 ( -0.607 -5.379 2.865) 6.125 25.021 ( -0.436 9.579 0.368) 9.596 25.161 ( -5.811 8.295 -0.503) 10.140 ======================= Grid point 16 (11/104) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 12.887 14.594 3.965) 19.869 1.297 ( 3.730 23.322 0.644) 23.627 1.972 ( -13.283 1.694 0.758) 13.412 2.128 ( -8.507 3.603 -4.869) 10.443 2.417 ( 1.180 0.520 -4.159) 4.354 2.471 ( 4.258 -1.606 5.178) 6.894 2.616 ( -2.498 6.266 -1.671) 6.949 2.696 ( -7.614 2.932 1.359) 8.271 2.847 ( -9.379 0.241 -3.913) 10.166 3.038 ( 4.814 15.927 1.339) 16.692 3.141 ( 5.755 22.780 -0.897) 23.513 3.291 ( 3.495 11.270 -2.593) 12.081 3.475 ( 8.350 1.514 4.403) 9.560 3.511 ( 1.812 -3.030 1.104) 3.699 3.526 ( -2.990 -3.991 1.493) 5.206 3.703 ( -6.572 -4.162 2.527) 8.179 3.771 ( 1.149 2.264 1.233) 2.823 3.817 ( -3.709 3.847 -4.546) 7.016 3.996 ( -2.830 7.370 -0.768) 7.932 4.096 ( -7.955 4.550 -3.395) 9.773 4.473 ( -2.191 -2.288 3.234) 4.527 4.630 ( -3.202 0.165 0.729) 3.289 4.716 ( 3.994 -1.862 -2.002) 4.840 4.806 ( 3.439 0.635 2.724) 4.433 5.011 ( 0.552 1.991 -1.922) 2.822 5.130 ( -5.107 7.986 -2.627) 9.837 5.197 ( 0.550 -0.825 4.202) 4.317 5.296 ( 6.172 -0.054 0.726) 6.214 5.498 ( -0.910 3.445 2.620) 4.423 5.619 ( 2.463 -3.516 3.837) 5.757 5.711 ( -0.418 -5.778 -2.153) 6.180 6.118 ( 2.850 -7.179 -1.859) 7.945 6.269 ( 2.703 1.315 -0.205) 3.013 6.335 ( -1.270 -3.260 3.489) 4.941 6.369 ( 0.541 -3.830 -2.247) 4.473 6.646 ( -3.333 -7.856 -1.137) 8.609 6.708 ( 5.723 2.501 -1.632) 6.456 6.862 ( 1.336 -2.818 -1.969) 3.689 6.945 ( -3.839 -3.848 -1.708) 5.698 7.151 ( -8.572 -3.377 3.148) 9.736 7.804 ( -4.630 5.139 -0.403) 6.929 7.890 ( 1.726 0.790 0.026) 1.898 8.104 ( -0.896 -3.552 -2.061) 4.203 8.404 ( -2.949 -6.715 -1.620) 7.511 8.457 ( 1.056 3.071 1.039) 3.410 8.599 ( 0.897 4.388 -2.352) 5.059 8.686 ( 8.071 -0.794 0.749) 8.144 8.926 ( -1.346 -4.314 -1.577) 4.786 9.083 ( 0.458 -0.631 1.936) 2.087 9.161 ( -3.968 -0.779 0.004) 4.044 9.763 ( 1.550 3.487 -4.098) 5.600 9.837 ( -0.458 5.751 6.105) 8.400 10.002 ( 3.973 7.780 0.112) 8.737 10.453 ( -4.576 -3.776 2.225) 6.336 10.675 ( -1.668 2.112 -0.140) 2.695 10.823 ( -4.211 1.114 -1.959) 4.776 10.996 ( 3.394 -5.067 -2.015) 6.423 11.120 ( 4.328 5.574 -2.908) 7.633 11.258 ( -3.280 0.498 0.787) 3.410 11.407 ( 4.344 -1.092 2.049) 4.926 11.617 ( 5.537 -7.275 8.602) 12.553 11.739 ( 3.691 -4.105 1.731) 5.786 11.885 ( 7.140 -6.333 3.920) 10.317 11.971 ( -3.051 -6.459 -4.345) 8.361 12.195 ( -9.954 -4.627 -5.951) 12.486 12.362 ( -9.755 -7.460 1.273) 12.346 12.919 ( 5.517 1.816 0.807) 5.864 13.013 ( 1.101 4.236 -0.462) 4.401 13.350 ( 0.021 0.422 -0.699) 0.817 13.598 ( 4.657 -4.231 -0.216) 6.296 13.830 ( -0.779 -7.031 -1.660) 7.266 13.837 ( -3.650 -1.348 -4.499) 5.948 14.430 ( 0.241 10.429 4.881) 11.517 14.800 ( 5.240 -3.563 0.161) 6.339 15.429 ( -1.438 17.364 -4.895) 18.098 15.605 ( 3.343 0.097 8.176) 8.833 15.768 ( -0.009 7.780 -5.619) 9.597 15.848 ( -1.118 -8.082 1.943) 8.387 16.483 ( -2.502 8.633 -0.169) 8.990 17.084 ( 3.600 -5.563 2.126) 6.959 19.545 ( -0.883 -1.004 1.081) 1.719 19.656 ( 0.286 -5.552 -1.302) 5.710 20.171 ( 0.777 7.875 3.216) 8.542 20.207 ( 0.735 6.814 -5.570) 8.832 20.973 ( 3.321 -10.573 3.086) 11.504 21.171 ( -0.747 -11.974 -0.831) 12.026 21.589 ( 1.652 0.680 1.049) 2.071 21.692 ( -0.435 -0.674 -0.754) 1.101 22.498 ( 1.524 -4.530 -0.543) 4.810 22.636 ( -2.603 -11.076 0.238) 11.380 23.516 ( 0.190 5.003 -0.464) 5.028 23.609 ( -0.889 5.338 0.020) 5.412 24.165 ( -2.676 2.215 -1.606) 3.827 24.358 ( -0.546 -4.334 1.859) 4.747 25.014 ( -0.308 9.918 0.777) 9.953 25.066 ( -3.762 11.376 -0.846) 12.012 ======================= Grid point 17 (12/104) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -0.000 22.498 -0.000) 22.498 1.530 ( -0.000 3.997 0.000) 3.997 1.666 ( 0.000 1.423 0.000) 1.423 2.062 ( 0.000 8.316 0.000) 8.316 2.433 ( 0.000 -1.269 0.000) 1.269 2.545 ( 0.000 -2.022 -0.000) 2.022 2.564 ( 0.000 3.375 0.000) 3.375 2.659 ( 0.000 11.646 -0.000) 11.646 2.688 ( 0.000 -6.836 0.000) 6.836 3.066 ( 0.000 12.775 -0.000) 12.775 3.208 ( -0.000 12.531 0.000) 12.531 3.342 ( -0.000 12.307 0.000) 12.307 3.476 ( 0.000 -3.221 0.000) 3.221 3.533 ( 0.000 -1.440 -0.000) 1.440 3.583 ( -0.000 1.184 0.000) 1.184 3.707 ( -0.000 -2.996 -0.000) 2.996 3.745 ( 0.000 18.128 0.000) 18.128 3.845 ( -0.000 9.511 0.000) 9.511 3.917 ( 0.000 -3.383 -0.000) 3.383 3.971 ( 0.000 7.074 0.000) 7.074 4.451 ( 0.000 -2.754 -0.000) 2.754 4.597 ( 0.000 -0.299 -0.000) 0.299 4.740 ( 0.000 -1.554 0.000) 1.554 4.888 ( -0.000 -4.823 -0.000) 4.823 4.957 ( 0.000 7.628 0.000) 7.628 5.116 ( 0.000 7.658 0.000) 7.658 5.168 ( 0.000 1.499 -0.000) 1.499 5.408 ( 0.000 0.551 -0.000) 0.551 5.462 ( -0.000 5.048 0.000) 5.048 5.656 ( 0.000 -12.087 -0.000) 12.087 5.699 ( 0.000 0.440 -0.000) 0.440 6.152 ( 0.000 -7.545 -0.000) 7.545 6.301 ( 0.000 -4.036 -0.000) 4.036 6.323 ( -0.000 -2.825 0.000) 2.825 6.371 ( 0.000 -4.317 0.000) 4.317 6.598 ( 0.000 -7.859 -0.000) 7.859 6.756 ( 0.000 0.990 -0.000) 0.990 6.875 ( -0.000 -1.759 0.000) 1.759 6.967 ( 0.000 -0.954 -0.000) 0.954 7.021 ( -0.000 -3.654 0.000) 3.654 7.757 ( 0.000 5.892 -0.000) 5.892 7.906 ( 0.000 -0.647 0.000) 0.647 8.094 ( 0.000 -4.664 -0.000) 4.664 8.373 ( 0.000 -6.664 -0.000) 6.664 8.469 ( 0.000 3.929 -0.000) 3.929 8.606 ( -0.000 4.905 0.000) 4.905 8.809 ( 0.000 -1.506 -0.000) 1.506 8.863 ( -0.000 -2.554 0.000) 2.554 9.104 ( -0.000 -1.883 0.000) 1.883 9.112 ( 0.000 -0.626 -0.000) 0.626 9.771 ( 0.000 3.551 -0.000) 3.551 9.843 ( -0.000 5.509 0.000) 5.509 10.046 ( 0.000 8.536 0.000) 8.536 10.410 ( 0.000 -4.038 0.000) 4.038 10.662 ( 0.000 2.295 -0.000) 2.295 10.778 ( 0.000 1.107 -0.000) 1.107 11.021 ( -0.000 -4.470 0.000) 4.470 11.184 ( -0.000 6.696 0.000) 6.696 11.208 ( 0.000 0.339 -0.000) 0.339 11.455 ( 0.000 -1.544 -0.000) 1.544 11.661 ( -0.000 -7.385 -0.000) 7.385 11.849 ( 0.000 -5.012 -0.000) 5.012 11.926 ( 0.000 -7.016 0.000) 7.016 11.937 ( -0.000 -3.865 -0.000) 3.865 12.103 ( 0.000 -6.573 -0.000) 6.573 12.237 ( 0.000 -9.802 0.000) 9.802 12.971 ( 0.000 1.798 0.000) 1.798 13.020 ( 0.000 5.099 -0.000) 5.099 13.350 ( 0.000 1.436 0.000) 1.436 13.641 ( 0.000 -2.718 -0.000) 2.718 13.796 ( 0.000 -1.996 0.000) 1.996 13.823 ( 0.000 -8.477 -0.000) 8.477 14.435 ( 0.000 11.254 -0.000) 11.254 14.851 ( 0.000 -4.129 0.000) 4.129 15.401 ( 0.000 16.062 -0.000) 16.062 15.695 ( -0.000 4.313 -0.000) 4.313 15.715 ( 0.000 1.350 0.000) 1.350 15.849 ( 0.000 -4.197 -0.000) 4.197 16.457 ( 0.000 9.584 -0.000) 9.584 17.120 ( 0.000 -4.884 0.000) 4.884 19.538 ( 0.000 -0.819 0.000) 0.819 19.657 ( 0.000 -5.950 -0.000) 5.950 20.191 ( 0.000 8.255 0.000) 8.255 20.198 ( 0.000 6.293 -0.000) 6.293 21.011 ( 0.000 -12.395 -0.000) 12.395 21.161 ( 0.000 -11.940 0.000) 11.940 21.610 ( 0.000 0.078 -0.000) 0.078 21.684 ( -0.000 -0.677 0.000) 0.677 22.518 ( 0.000 -3.439 0.000) 3.439 22.604 ( 0.000 -13.379 -0.000) 13.379 23.518 ( 0.000 4.831 0.000) 4.831 23.599 ( -0.000 6.392 0.000) 6.392 24.137 ( 0.000 3.323 0.000) 3.323 24.355 ( 0.000 -4.002 -0.000) 4.002 25.017 ( 0.000 10.184 0.000) 10.184 25.026 ( -0.000 11.623 -0.000) 11.623 ======================= Grid point 21 (13/104) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 0.000 20.439 0.000) 20.439 1.825 ( 0.000 25.931 0.000) 25.931 2.025 ( 0.000 -12.032 0.000) 12.032 2.290 ( 0.000 -16.290 0.000) 16.290 2.402 ( 0.000 2.536 0.000) 2.536 2.430 ( 0.000 -0.036 0.000) 0.036 2.809 ( 0.000 4.945 0.000) 4.945 2.887 ( 0.000 -2.986 0.000) 2.986 3.181 ( 0.000 2.857 0.000) 2.857 3.199 ( 0.000 4.384 0.000) 4.384 3.243 ( 0.000 9.768 0.000) 9.768 3.391 ( 0.000 -3.136 0.000) 3.136 3.478 ( 0.000 5.427 0.000) 5.427 3.518 ( 0.000 0.867 0.000) 0.867 3.544 ( 0.000 2.363 0.000) 2.363 3.647 ( 0.000 24.933 0.000) 24.933 3.692 ( 0.000 -11.307 0.000) 11.307 4.111 ( 0.000 -8.187 0.000) 8.187 4.182 ( 0.000 3.351 0.000) 3.351 4.326 ( 0.000 -14.998 0.000) 14.998 4.488 ( 0.000 1.079 0.000) 1.079 4.499 ( 0.000 -0.554 0.000) 0.554 4.541 ( 0.000 9.965 0.000) 9.965 4.716 ( 0.000 -5.328 0.000) 5.328 5.000 ( 0.000 4.640 0.000) 4.640 5.029 ( 0.000 8.942 0.000) 8.942 5.223 ( 0.000 -2.120 0.000) 2.120 5.407 ( 0.000 -12.485 0.000) 12.485 5.450 ( 0.000 4.334 0.000) 4.334 5.523 ( 0.000 -3.972 0.000) 3.972 5.819 ( 0.000 12.475 0.000) 12.475 5.991 ( 0.000 -4.221 0.000) 4.221 6.308 ( 0.000 -0.971 0.000) 0.971 6.309 ( 0.000 -0.681 0.000) 0.681 6.460 ( 0.000 3.672 0.000) 3.672 6.500 ( 0.000 -2.246 0.000) 2.246 6.590 ( 0.000 6.010 0.000) 6.010 6.761 ( 0.000 -6.115 0.000) 6.115 7.021 ( 0.000 -4.941 0.000) 4.941 7.111 ( 0.000 -11.347 0.000) 11.347 7.939 ( 0.000 4.679 0.000) 4.679 7.987 ( 0.000 0.759 0.000) 0.759 8.272 ( 0.000 1.366 0.000) 1.366 8.274 ( 0.000 1.307 0.000) 1.307 8.456 ( 0.000 -0.008 0.000) 0.008 8.507 ( 0.000 -4.759 0.000) 4.759 8.684 ( 0.000 3.178 0.000) 3.178 8.749 ( 0.000 -3.256 0.000) 3.256 9.100 ( 0.000 2.113 0.000) 2.113 9.182 ( 0.000 -5.359 0.000) 5.359 9.807 ( 0.000 4.513 0.000) 4.513 9.876 ( 0.000 -1.895 0.000) 1.895 10.175 ( 0.000 16.136 0.000) 16.136 10.481 ( 0.000 -11.624 0.000) 11.624 10.775 ( 0.000 -0.687 0.000) 0.687 10.781 ( 0.000 -0.736 0.000) 0.736 10.962 ( 0.000 1.216 0.000) 1.216 11.012 ( 0.000 -3.746 0.000) 3.746 11.156 ( 0.000 3.459 0.000) 3.459 11.274 ( 0.000 -7.097 0.000) 7.097 11.476 ( 0.000 4.516 0.000) 4.516 11.579 ( 0.000 -4.752 0.000) 4.752 11.759 ( 0.000 5.451 0.000) 5.451 11.914 ( 0.000 -8.465 0.000) 8.465 12.582 ( 0.000 3.033 0.000) 3.033 12.611 ( 0.000 2.139 0.000) 2.139 12.739 ( 0.000 -3.996 0.000) 3.996 12.756 ( 0.000 -3.090 0.000) 3.090 13.351 ( 0.000 -0.123 0.000) 0.123 13.357 ( 0.000 -0.674 0.000) 0.674 13.883 ( 0.000 2.412 0.000) 2.412 13.954 ( 0.000 -3.547 0.000) 3.547 14.469 ( 0.000 7.484 0.000) 7.484 14.606 ( 0.000 -5.079 0.000) 5.079 15.605 ( 0.000 6.256 0.000) 6.256 15.667 ( 0.000 0.677 0.000) 0.677 15.788 ( 0.000 1.844 0.000) 1.844 15.840 ( 0.000 -1.805 0.000) 1.805 16.668 ( 0.000 5.630 0.000) 5.630 16.796 ( 0.000 -6.460 0.000) 6.460 19.552 ( 0.000 0.507 0.000) 0.507 19.586 ( 0.000 -2.549 0.000) 2.549 20.310 ( 0.000 4.703 0.000) 4.703 20.317 ( 0.000 4.613 0.000) 4.613 20.827 ( 0.000 1.143 0.000) 1.143 20.950 ( 0.000 -9.942 0.000) 9.942 21.604 ( 0.000 2.988 0.000) 2.988 21.664 ( 0.000 -2.435 0.000) 2.435 22.450 ( 0.000 1.741 0.000) 1.741 22.537 ( 0.000 -6.174 0.000) 6.174 23.614 ( 0.000 3.827 0.000) 3.827 23.660 ( 0.000 -0.337 0.000) 0.337 24.243 ( 0.000 -0.273 0.000) 0.273 24.267 ( 0.000 -2.774 0.000) 2.774 25.193 ( 0.000 6.048 0.000) 6.048 25.267 ( 0.000 -0.843 0.000) 0.843 ======================= Grid point 22 (14/104) ======================= q-point: ( 0.17 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -3.842 20.963 4.621) 21.807 1.729 ( -3.603 23.546 -4.962) 24.332 2.026 ( -1.635 -11.154 3.378) 11.769 2.171 ( -9.945 -16.169 -3.308) 19.269 2.406 ( 0.623 1.883 -1.033) 2.236 2.429 ( -0.130 -0.216 -1.290) 1.315 2.788 ( -2.463 4.604 -0.191) 5.225 2.843 ( -4.875 -0.982 -1.607) 5.227 3.122 ( -4.665 7.576 -1.748) 9.067 3.217 ( -0.883 6.431 -0.022) 6.492 3.265 ( 3.048 -3.510 0.986) 4.752 3.321 ( -5.678 -5.329 -3.372) 8.486 3.475 ( -0.587 6.685 3.631) 7.630 3.518 ( -1.991 1.521 -3.236) 4.092 3.584 ( 4.612 -2.444 -6.591) 8.408 3.635 ( -4.647 -7.688 3.585) 9.672 3.734 ( 8.837 27.308 3.862) 28.961 4.146 ( 3.008 -2.830 0.562) 4.169 4.193 ( 0.747 2.590 -1.593) 3.131 4.274 ( -3.336 2.529 -0.410) 4.206 4.459 ( -2.918 0.387 7.796) 8.333 4.522 ( 2.591 -3.492 1.584) 4.628 4.583 ( 2.545 -1.431 -2.289) 3.710 4.708 ( -1.169 -6.001 4.600) 7.651 5.010 ( 1.820 3.895 1.031) 4.421 5.114 ( 2.081 -3.052 2.249) 4.324 5.260 ( 8.473 7.521 -1.815) 11.474 5.364 ( -5.784 0.602 -1.000) 5.900 5.447 ( -1.528 -1.388 0.945) 2.270 5.526 ( 3.901 -8.499 -1.321) 9.444 5.794 ( -2.656 11.656 0.282) 11.958 5.975 ( -1.603 -5.374 -1.864) 5.909 6.302 ( -0.828 -0.579 1.203) 1.571 6.306 ( -0.058 -1.177 -2.129) 2.433 6.434 ( -2.888 6.573 1.192) 7.278 6.534 ( -0.036 -4.847 -1.124) 4.975 6.637 ( 6.627 3.294 -0.436) 7.413 6.738 ( -1.485 -5.653 0.082) 5.846 6.969 ( -4.642 -2.648 -1.991) 5.703 7.081 ( -3.110 -10.750 0.447) 11.199 7.927 ( -0.935 3.151 -1.167) 3.488 7.954 ( -3.028 0.984 -0.894) 3.307 8.193 ( -4.157 4.986 -0.102) 6.492 8.316 ( -1.615 -6.001 -1.249) 6.338 8.476 ( 3.127 2.495 0.875) 4.095 8.532 ( 3.769 -2.427 1.484) 4.722 8.688 ( 0.712 4.192 -1.662) 4.565 8.783 ( 2.801 -5.024 -1.997) 6.089 9.098 ( -0.598 1.834 2.093) 2.847 9.166 ( -1.900 -4.249 1.135) 4.791 9.813 ( 1.114 3.668 -2.728) 4.705 9.871 ( -0.361 -1.591 0.354) 1.669 10.186 ( 0.837 14.151 2.268) 14.356 10.435 ( -4.158 -8.563 1.897) 9.707 10.748 ( -1.675 1.073 -0.810) 2.148 10.791 ( 0.168 -3.455 -0.430) 3.486 10.976 ( 0.839 2.473 -2.213) 3.423 11.046 ( 4.443 -3.505 -2.248) 6.089 11.255 ( 8.143 0.542 3.872) 9.033 11.290 ( 2.177 -1.994 -0.135) 2.956 11.485 ( 0.488 3.579 4.819) 6.023 11.588 ( 0.605 -6.281 4.041) 7.493 11.759 ( 0.275 3.883 0.271) 3.902 11.883 ( -2.621 -7.552 -3.140) 8.588 12.386 ( -12.197 1.627 -1.874) 12.447 12.453 ( -13.417 -4.513 -0.669) 14.171 12.850 ( 10.053 4.718 0.867) 11.139 12.946 ( 9.144 -3.396 -0.173) 9.756 13.357 ( 1.008 1.016 -0.128) 1.437 13.394 ( 3.752 -2.845 -0.034) 4.709 13.843 ( -3.295 1.902 -3.061) 4.884 13.899 ( -4.296 -2.637 -4.547) 6.789 14.528 ( 4.344 6.235 4.721) 8.946 14.642 ( 3.365 -4.350 1.356) 5.664 15.597 ( -1.332 3.274 4.342) 5.599 15.643 ( -2.107 0.256 -1.520) 2.610 15.804 ( 1.741 3.412 -0.004) 3.831 15.857 ( 1.959 0.109 -3.847) 4.318 16.673 ( 0.504 7.166 0.196) 7.187 16.835 ( 3.633 -8.005 1.314) 8.888 19.548 ( -0.491 0.509 0.490) 0.861 19.581 ( -0.470 -2.570 0.077) 2.613 20.311 ( 0.111 5.224 1.385) 5.405 20.326 ( 0.856 4.053 -1.296) 4.340 20.831 ( 0.372 0.297 0.369) 0.602 20.945 ( -0.514 -9.830 -0.483) 9.856 21.607 ( 0.336 2.681 -0.004) 2.702 21.663 ( -0.016 -2.390 -0.450) 2.432 22.443 ( -0.596 1.144 -0.242) 1.313 22.520 ( -1.758 -5.817 -0.178) 6.079 23.613 ( -0.015 3.834 -0.316) 3.847 23.660 ( -0.032 -0.341 -0.073) 0.350 24.228 ( -1.173 0.738 -0.851) 1.626 24.269 ( -0.082 -3.241 1.056) 3.410 25.188 ( -0.556 5.745 0.149) 5.774 25.247 ( -1.902 0.339 -0.181) 1.941 ======================= Grid point 23 (15/104) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -1.936 16.615 1.680) 16.812 1.749 ( 2.289 18.918 -1.506) 19.115 1.876 ( -13.083 -9.881 1.949) 16.511 2.080 ( -0.148 -10.293 -2.366) 10.562 2.414 ( 0.106 0.184 -2.837) 2.845 2.431 ( 1.241 -1.043 0.483) 1.691 2.711 ( -6.652 2.170 -2.902) 7.575 2.712 ( -6.711 1.199 -0.174) 6.820 2.999 ( -6.486 11.704 -1.339) 13.448 3.219 ( 1.212 2.169 -0.209) 2.493 3.235 ( -2.058 -6.461 -0.257) 6.785 3.328 ( 2.123 -8.246 1.226) 8.602 3.424 ( -4.066 3.950 3.752) 6.798 3.496 ( 0.175 1.458 -3.748) 4.025 3.574 ( -2.432 -4.768 1.027) 5.450 3.606 ( -0.211 -5.117 -3.169) 6.022 3.973 ( 14.109 26.588 1.782) 30.153 4.152 ( -1.783 8.603 -0.955) 8.837 4.218 ( 1.735 6.854 -0.856) 7.122 4.249 ( -0.611 12.760 2.705) 13.058 4.439 ( -1.501 -2.128 4.509) 5.207 4.537 ( -1.194 -3.083 -1.693) 3.714 4.618 ( 1.426 -7.650 3.792) 8.657 4.699 ( -0.608 -11.703 -0.600) 11.734 5.079 ( 5.257 2.595 1.318) 6.009 5.130 ( 0.165 -2.206 4.604) 5.108 5.241 ( -5.079 4.091 -2.336) 6.927 5.381 ( -4.238 -8.135 0.212) 9.175 5.468 ( 10.639 10.844 -0.868) 15.216 5.645 ( 6.655 -4.749 0.215) 8.179 5.731 ( -4.155 10.711 0.835) 11.519 5.937 ( -1.467 -8.766 -1.899) 9.089 6.287 ( -1.094 -0.235 0.840) 1.400 6.295 ( -0.609 -1.204 -1.536) 2.045 6.362 ( -3.829 3.756 -0.394) 5.378 6.477 ( -4.715 -7.169 -1.339) 8.685 6.736 ( 1.682 -0.670 0.671) 1.931 6.775 ( 5.185 -4.727 -0.470) 7.032 6.885 ( -2.181 2.231 -2.102) 3.762 7.014 ( -4.036 -8.076 0.541) 9.045 7.889 ( -2.798 2.674 -0.855) 3.963 7.910 ( -1.023 0.500 -0.472) 1.232 8.122 ( -3.115 4.340 -0.740) 5.393 8.250 ( -3.374 -7.244 -1.448) 8.122 8.551 ( 3.647 5.157 2.318) 6.728 8.644 ( 6.803 -3.023 2.348) 7.806 8.697 ( 0.684 4.517 -2.556) 5.235 8.809 ( 0.170 -5.985 -3.469) 6.920 9.086 ( -1.107 1.015 2.191) 2.657 9.124 ( -2.704 -2.279 1.156) 3.720 9.829 ( 1.194 2.735 -3.153) 4.341 9.876 ( 0.744 -1.230 0.616) 1.564 10.210 ( 1.024 10.135 2.148) 10.411 10.372 ( -2.950 -4.983 2.554) 6.329 10.720 ( -0.965 2.269 -0.264) 2.480 10.785 ( -0.776 -4.117 -0.675) 4.244 10.974 ( 0.032 5.479 -1.329) 5.638 11.126 ( 3.879 -5.942 -3.342) 7.844 11.355 ( 4.056 4.949 0.014) 6.399 11.401 ( 5.694 -0.060 2.826) 6.357 11.524 ( 1.573 1.113 8.198) 8.421 11.626 ( 2.733 -6.468 2.991) 7.632 11.785 ( 2.332 -2.141 0.884) 3.287 11.826 ( -1.535 -5.705 -3.806) 7.028 12.156 ( -11.386 0.834 -3.629) 11.979 12.223 ( -11.259 -5.262 -0.338) 12.433 12.996 ( 5.235 4.311 0.327) 6.789 13.056 ( 3.343 -0.598 -0.461) 3.427 13.385 ( 1.788 2.898 0.147) 3.408 13.477 ( 4.408 -5.896 0.421) 7.374 13.777 ( -2.579 0.838 -2.576) 3.740 13.810 ( -3.573 -1.590 -3.841) 5.482 14.602 ( 2.123 6.404 3.413) 7.561 14.716 ( 3.580 -4.639 1.146) 5.970 15.572 ( -2.051 1.743 0.923) 2.845 15.616 ( -0.512 -2.052 2.104) 2.983 15.837 ( 1.643 5.261 -1.843) 5.811 15.883 ( 1.583 1.745 -2.063) 3.132 16.684 ( 0.495 10.424 0.214) 10.438 16.908 ( 3.300 -10.306 1.199) 10.888 19.539 ( -0.509 0.533 0.517) 0.900 19.572 ( -0.466 -2.657 0.038) 2.698 20.321 ( 0.465 5.291 1.609) 5.550 20.336 ( 0.518 4.040 -1.527) 4.350 20.842 ( 0.561 -1.628 0.522) 1.799 20.932 ( -0.680 -9.478 -0.627) 9.523 21.616 ( 0.546 1.809 0.135) 1.894 21.660 ( -0.234 -2.093 -0.587) 2.186 22.434 ( -0.102 -0.516 -0.279) 0.595 22.480 ( -2.288 -4.606 -0.132) 5.144 23.612 ( 0.039 3.806 -0.296) 3.818 23.659 ( -0.068 -0.231 -0.095) 0.259 24.206 ( -0.932 2.213 -0.442) 2.442 24.268 ( -0.230 -3.748 0.678) 3.816 25.178 ( -0.394 5.056 0.253) 5.078 25.210 ( -1.825 2.393 -0.269) 3.022 ======================= Grid point 24 (16/104) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( -0.000 4.610 0.000) 4.610 1.684 ( 0.000 0.002 0.000) 0.002 1.776 ( -0.000 18.240 -0.000) 18.240 2.079 ( 0.000 -8.502 0.000) 8.502 2.407 ( 0.000 -0.076 0.000) 0.076 2.454 ( 0.000 -4.256 -0.000) 4.256 2.621 ( -0.000 1.525 0.000) 1.525 2.637 ( 0.000 1.777 0.000) 1.777 2.937 ( 0.000 13.919 -0.000) 13.919 3.207 ( 0.000 -9.213 0.000) 9.213 3.263 ( -0.000 1.635 -0.000) 1.635 3.321 ( 0.000 -5.066 -0.000) 5.066 3.398 ( -0.000 3.546 0.000) 3.546 3.524 ( 0.000 1.483 0.000) 1.483 3.525 ( -0.000 -5.811 -0.000) 5.811 3.596 ( -0.000 -5.667 -0.000) 5.667 4.128 ( 0.000 11.188 0.000) 11.188 4.162 ( -0.000 12.050 -0.000) 12.050 4.202 ( 0.000 16.280 0.000) 16.280 4.250 ( 0.000 22.610 -0.000) 22.610 4.422 ( 0.000 -3.885 -0.000) 3.885 4.518 ( 0.000 -1.709 -0.000) 1.709 4.638 ( 0.000 -7.293 0.000) 7.293 4.687 ( 0.000 -15.634 -0.000) 15.634 5.112 ( 0.000 7.334 -0.000) 7.334 5.182 ( 0.000 1.064 0.000) 1.064 5.195 ( 0.000 0.300 -0.000) 0.300 5.318 ( 0.000 -12.709 -0.000) 12.709 5.612 ( 0.000 13.464 0.000) 13.464 5.642 ( 0.000 5.525 -0.000) 5.525 5.721 ( 0.000 1.225 0.000) 1.225 5.923 ( 0.000 -12.631 -0.000) 12.631 6.274 ( 0.000 0.364 -0.000) 0.364 6.283 ( 0.000 -0.864 0.000) 0.864 6.327 ( 0.000 0.419 0.000) 0.419 6.422 ( 0.000 -7.824 -0.000) 7.824 6.755 ( -0.000 -0.702 -0.000) 0.702 6.790 ( 0.000 -4.498 0.000) 4.498 6.924 ( -0.000 -1.170 -0.000) 1.170 6.945 ( 0.000 -2.736 0.000) 2.736 7.859 ( 0.000 3.543 -0.000) 3.543 7.899 ( 0.000 -0.524 0.000) 0.524 8.091 ( 0.000 3.702 -0.000) 3.702 8.215 ( 0.000 -7.421 -0.000) 7.421 8.593 ( 0.000 7.239 -0.000) 7.239 8.698 ( -0.000 3.643 0.000) 3.643 8.752 ( -0.000 -7.011 -0.000) 7.011 8.767 ( 0.000 -2.575 -0.000) 2.575 9.081 ( -0.000 -0.140 0.000) 0.140 9.093 ( 0.000 -1.025 -0.000) 1.025 9.836 ( 0.000 2.793 -0.000) 2.793 9.887 ( 0.000 -1.337 0.000) 1.337 10.225 ( -0.000 7.912 0.000) 7.912 10.348 ( 0.000 -3.356 0.000) 3.356 10.712 ( 0.000 2.412 -0.000) 2.412 10.773 ( 0.000 -3.095 0.000) 3.095 10.974 ( 0.000 6.031 0.000) 6.031 11.157 ( 0.000 -7.205 -0.000) 7.205 11.399 ( 0.000 8.359 -0.000) 8.359 11.456 ( -0.000 1.390 -0.000) 1.390 11.552 ( -0.000 -0.161 -0.000) 0.161 11.673 ( 0.000 -9.546 0.000) 9.546 11.807 ( 0.000 -3.434 0.000) 3.434 11.834 ( -0.000 -4.988 -0.000) 4.988 12.034 ( 0.000 -0.196 -0.000) 0.196 12.082 ( 0.000 -4.677 0.000) 4.677 13.042 ( 0.000 3.685 -0.000) 3.685 13.083 ( 0.000 0.469 -0.000) 0.469 13.405 ( 0.000 4.017 0.000) 4.017 13.524 ( 0.000 -6.988 0.000) 6.988 13.749 ( 0.000 0.240 -0.000) 0.240 13.769 ( 0.000 -1.084 0.000) 1.084 14.624 ( 0.000 7.156 0.000) 7.156 14.753 ( 0.000 -5.339 0.000) 5.339 15.551 ( 0.000 2.737 -0.000) 2.737 15.617 ( 0.000 -4.409 -0.000) 4.409 15.849 ( 0.000 6.384 -0.000) 6.384 15.897 ( 0.000 1.644 0.000) 1.644 16.689 ( 0.000 12.158 -0.000) 12.158 16.943 ( 0.000 -11.145 0.000) 11.145 19.535 ( 0.000 0.557 0.000) 0.557 19.567 ( 0.000 -2.725 -0.000) 2.725 20.330 ( 0.000 4.957 -0.000) 4.957 20.337 ( 0.000 4.472 0.000) 4.472 20.849 ( -0.000 -2.761 -0.000) 2.761 20.923 ( 0.000 -9.184 0.000) 9.184 21.623 ( 0.000 1.139 -0.000) 1.139 21.655 ( 0.000 -1.738 0.000) 1.738 22.441 ( 0.000 -2.761 -0.000) 2.761 22.449 ( -0.000 -2.567 0.000) 2.567 23.613 ( 0.000 3.774 0.000) 3.774 23.658 ( 0.000 -0.120 0.000) 0.120 24.196 ( 0.000 2.805 -0.000) 2.805 24.267 ( 0.000 -3.918 -0.000) 3.918 25.176 ( 0.000 4.464 0.000) 4.464 25.190 ( -0.000 3.505 -0.000) 3.505 ======================= Grid point 49 (17/104) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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| 0.383 ( 11.158 0.000 24.311) 26.749 0.569 ( 0.946 0.000 29.579) 29.594 0.923 ( -2.957 0.000 46.093) 46.187 2.058 ( 1.268 0.000 -5.259) 5.410 2.178 ( -3.331 0.000 25.283) 25.501 2.463 ( 0.114 0.000 2.584) 2.587 2.611 ( 0.030 0.000 -0.825) 0.826 2.633 ( -6.082 0.000 -0.065) 6.082 2.760 ( -2.161 0.000 6.055) 6.429 2.890 ( 4.712 0.000 7.601) 8.943 3.018 ( -4.609 0.000 4.228) 6.254 3.294 ( 1.212 0.000 -7.821) 7.914 3.335 ( -2.335 0.000 0.003) 2.335 3.473 ( 1.031 0.000 0.692) 1.242 3.656 ( 1.290 0.000 -4.010) 4.212 3.704 ( -6.224 0.000 -5.617) 8.384 3.984 ( -0.788 0.000 -0.356) 0.864 4.007 ( -1.173 0.000 -1.070) 1.587 4.063 ( 3.818 0.000 4.171) 5.654 4.217 ( 3.161 0.000 7.898) 8.507 4.240 ( -1.778 0.000 -3.821) 4.214 4.586 ( 1.362 0.000 -2.962) 3.260 4.766 ( -3.331 0.000 -1.620) 3.704 4.910 ( 6.676 0.000 -7.303) 9.894 4.939 ( 0.204 0.000 1.274) 1.291 5.128 ( 1.276 0.000 8.208) 8.307 5.272 ( 4.027 0.000 1.460) 4.283 5.348 ( -0.261 0.000 -9.441) 9.445 5.461 ( -3.402 0.000 7.092) 7.866 5.536 ( -1.190 0.000 -3.424) 3.625 5.882 ( 5.236 0.000 4.520) 6.917 5.927 ( -3.083 0.000 -1.035) 3.252 6.176 ( -1.798 0.000 -0.645) 1.911 6.490 ( -5.425 0.000 -1.000) 5.516 6.571 ( 0.026 0.000 7.922) 7.922 6.714 ( -1.873 0.000 -2.532) 3.149 6.787 ( 4.571 0.000 -2.497) 5.209 6.962 ( 11.586 0.000 1.511) 11.684 7.015 ( -1.172 0.000 1.324) 1.768 7.102 ( 0.865 0.000 0.079) 0.869 7.660 ( -0.269 0.000 -1.874) 1.893 7.907 ( 0.999 0.000 -3.787) 3.916 8.237 ( -1.682 0.000 1.172) 2.050 8.262 ( 0.850 0.000 -7.339) 7.388 8.570 ( -6.050 0.000 -4.079) 7.297 8.674 ( -4.218 0.000 6.282) 7.566 8.765 ( -5.418 0.000 -9.274) 10.740 8.946 ( 5.326 0.000 0.478) 5.348 9.033 ( -0.752 0.000 2.632) 2.737 9.271 ( -6.275 0.000 0.726) 6.317 9.629 ( 1.678 0.000 -0.456) 1.739 9.875 ( 5.297 0.000 -0.639) 5.336 10.491 ( 3.473 0.000 -1.979) 3.997 10.591 ( -0.784 0.000 -3.974) 4.051 10.789 ( -46.452 0.000 -1.701) 46.483 10.841 ( -8.877 0.000 -1.981) 9.095 10.864 ( -18.582 0.000 0.798) 18.599 11.010 ( 0.583 0.000 3.705) 3.751 11.210 ( -3.525 0.000 -8.120) 8.852 11.544 ( 10.472 0.000 -3.264) 10.969 11.602 ( 3.460 0.000 10.444) 11.002 11.752 ( -2.988 0.000 -10.935) 11.336 11.877 ( 3.158 0.000 -2.763) 4.196 12.378 ( 44.094 0.000 -3.621) 44.242 12.398 ( -2.258 0.000 10.173) 10.421 12.586 ( -5.682 0.000 1.872) 5.982 12.682 ( 3.847 0.000 -8.099) 8.966 12.951 ( 9.236 0.000 0.487) 9.249 13.244 ( 2.287 0.000 2.084) 3.094 13.594 ( -1.061 0.000 1.718) 2.019 13.658 ( -2.963 0.000 -2.381) 3.801 13.997 ( -10.990 0.000 -7.121) 13.095 14.412 ( -3.522 0.000 10.843) 11.400 14.486 ( -1.530 0.000 -1.735) 2.313 14.962 ( 1.632 0.000 0.194) 1.644 15.006 ( 15.630 0.000 -6.571) 16.955 15.764 ( 5.397 0.000 8.536) 10.099 16.056 ( 18.054 0.000 1.945) 18.158 16.289 ( -0.312 0.000 -0.593) 0.670 17.003 ( 0.297 0.000 -3.874) 3.885 19.650 ( 0.598 0.000 2.697) 2.763 19.947 ( -1.327 0.000 3.826) 4.050 19.947 ( -0.884 0.000 3.026) 3.153 20.349 ( -44.551 0.000 6.329) 44.999 21.601 ( -0.386 0.000 9.315) 9.323 21.607 ( 3.816 0.000 -1.584) 4.132 21.616 ( -1.853 0.000 7.334) 7.564 22.499 ( 0.148 0.000 -0.684) 0.699 22.528 ( 6.741 0.000 -4.502) 8.106 22.672 ( 22.923 0.000 -0.550) 22.930 23.031 ( 2.198 0.000 7.070) 7.404 23.364 ( -0.408 0.000 -0.326) 0.523 23.922 ( 0.813 0.000 -0.433) 0.922 24.332 ( -0.320 0.000 -0.940) 0.993 24.584 ( 0.626 0.000 -5.263) 5.300 24.845 ( 6.292 0.000 -5.235) 8.185 ======================= Grid point 50 (18/104) ======================= q-point: ( 0.17 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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| 0.814 ( 13.379 0.000 25.309) 28.628 0.849 ( 18.595 0.000 22.565) 29.239 1.188 ( 23.414 0.000 30.113) 38.145 2.069 ( 0.910 0.000 -3.441) 3.559 2.169 ( -3.099 0.000 25.718) 25.904 2.434 ( -4.307 0.000 1.479) 4.554 2.457 ( -11.330 0.000 0.532) 11.343 2.604 ( -0.590 0.000 0.278) 0.653 2.713 ( -4.348 0.000 12.753) 13.474 2.938 ( -4.511 0.000 -1.725) 4.830 2.943 ( -1.125 0.000 6.752) 6.845 3.164 ( -14.702 0.000 -6.292) 15.992 3.318 ( 3.138 0.000 -6.313) 7.050 3.477 ( 0.862 0.000 3.379) 3.487 3.647 ( -1.118 0.000 -4.215) 4.360 3.677 ( 3.025 0.000 1.227) 3.264 3.924 ( -3.714 0.000 1.202) 3.904 3.958 ( -4.448 0.000 0.750) 4.510 4.100 ( 2.458 0.000 1.239) 2.753 4.131 ( -7.299 0.000 -6.832) 9.998 4.400 ( 5.870 0.000 3.541) 6.855 4.430 ( -11.065 0.000 -6.579) 12.873 4.721 ( 0.814 0.000 1.599) 1.794 4.938 ( 0.188 0.000 -2.571) 2.578 5.023 ( 0.716 0.000 2.973) 3.058 5.105 ( -4.751 0.000 3.489) 5.895 5.334 ( 1.239 0.000 0.123) 1.245 5.386 ( 3.345 0.000 -3.089) 4.554 5.438 ( -4.631 0.000 -5.719) 7.359 5.469 ( 2.917 0.000 -2.579) 3.894 5.931 ( 2.883 0.000 -3.093) 4.229 6.037 ( 8.666 0.000 6.316) 10.724 6.214 ( 6.056 0.000 -2.806) 6.674 6.450 ( 1.303 0.000 0.365) 1.354 6.589 ( -0.712 0.000 9.757) 9.783 6.686 ( 0.064 0.000 -2.461) 2.462 6.843 ( 2.121 0.000 -2.384) 3.191 6.976 ( -3.033 0.000 -0.306) 3.048 7.050 ( -4.120 0.000 3.435) 5.364 7.096 ( -2.287 0.000 0.147) 2.292 7.697 ( 5.565 0.000 -4.534) 7.178 7.795 ( -9.150 0.000 -2.267) 9.427 8.205 ( -4.253 0.000 1.606) 4.546 8.320 ( 7.310 0.000 -1.092) 7.391 8.414 ( -3.581 0.000 -1.032) 3.727 8.662 ( -0.173 0.000 3.097) 3.102 8.664 ( -1.898 0.000 -7.873) 8.099 8.981 ( -2.534 0.000 -0.374) 2.562 9.054 ( 3.003 0.000 1.099) 3.198 9.147 ( -4.835 0.000 -0.248) 4.841 9.689 ( 3.655 0.000 1.108) 3.819 9.936 ( 0.730 0.000 3.752) 3.822 9.943 ( -22.748 0.000 20.241) 30.449 10.568 ( 4.160 0.000 0.839) 4.243 10.615 ( -0.751 0.000 -1.788) 1.939 10.718 ( -4.145 0.000 -3.709) 5.562 10.789 ( -2.320 0.000 -2.207) 3.202 11.055 ( 5.186 0.000 -3.065) 6.024 11.173 ( 0.494 0.000 -4.839) 4.864 11.657 ( -2.406 0.000 -3.593) 4.324 11.739 ( 7.800 0.000 7.868) 11.080 11.749 ( 8.747 0.000 0.951) 8.799 11.932 ( 4.045 0.000 -6.861) 7.965 12.320 ( -8.652 0.000 6.272) 10.686 12.405 ( -4.022 0.000 -10.051) 10.826 12.476 ( -5.580 0.000 1.493) 5.776 12.878 ( 2.872 0.000 -6.927) 7.499 13.294 ( 1.875 0.000 3.119) 3.640 13.395 ( 13.004 0.000 -11.159) 17.135 13.538 ( -1.012 0.000 -3.705) 3.841 13.608 ( 2.011 0.000 1.423) 2.463 13.926 ( 2.679 0.000 -4.295) 5.062 14.442 ( -2.399 0.000 -1.183) 2.675 14.451 ( -0.055 0.000 16.534) 16.534 15.004 ( 2.482 0.000 -0.330) 2.504 15.132 ( 4.152 0.000 -14.294) 14.885 15.819 ( -0.094 0.000 11.357) 11.357 16.272 ( -1.261 0.000 -0.643) 1.416 16.340 ( 6.836 0.000 -14.129) 15.696 17.002 ( 0.767 0.000 -3.966) 4.039 19.658 ( -0.657 0.000 3.478) 3.540 19.825 ( -5.726 0.000 5.796) 8.147 19.938 ( -0.500 0.000 3.271) 3.309 20.070 ( 0.206 0.000 13.960) 13.961 21.598 ( -2.182 0.000 8.560) 8.834 21.617 ( -0.343 0.000 7.880) 7.887 21.622 ( -0.125 0.000 -0.489) 0.505 22.252 ( -13.299 0.000 9.140) 16.137 22.501 ( 0.309 0.000 -0.700) 0.765 22.997 ( 3.512 0.000 0.244) 3.520 23.212 ( 9.082 0.000 -10.699) 14.034 23.354 ( -0.446 0.000 -0.288) 0.531 23.943 ( 1.417 0.000 -0.143) 1.424 24.316 ( -0.983 0.000 -1.294) 1.625 24.584 ( 0.940 0.000 -5.526) 5.606 24.821 ( -4.339 0.000 -2.344) 4.932 ======================= Grid point 51 (19/104) ======================= q-point: ( 0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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| 1.005 ( 1.529 0.000 33.455) 33.490 1.275 ( 21.591 0.000 15.333) 26.481 1.653 ( 14.760 0.000 9.620) 17.619 1.999 ( -12.767 0.000 4.426) 13.513 2.282 ( -1.894 0.000 -5.214) 5.548 2.307 ( 13.319 0.000 26.857) 29.978 2.374 ( -2.790 0.000 0.984) 2.958 2.593 ( -0.491 0.000 -1.453) 1.534 2.684 ( -1.422 0.000 15.084) 15.151 2.788 ( -13.190 0.000 -4.457) 13.923 2.865 ( -12.084 0.000 0.679) 12.103 2.933 ( -3.794 0.000 0.584) 3.839 3.352 ( 1.446 0.000 -5.679) 5.861 3.486 ( -0.732 0.000 2.058) 2.184 3.606 ( -1.650 0.000 -3.715) 4.065 3.694 ( -2.569 0.000 5.613) 6.173 3.794 ( -11.704 0.000 1.088) 11.754 3.928 ( 1.425 0.000 0.907) 1.689 4.054 ( 1.557 0.000 -7.364) 7.527 4.178 ( 7.877 0.000 -1.862) 8.094 4.253 ( -6.125 0.000 -5.344) 8.128 4.410 ( -2.337 0.000 1.216) 2.634 4.805 ( 5.309 0.000 4.387) 6.887 4.933 ( 0.079 0.000 -2.424) 2.425 5.003 ( -3.317 0.000 6.368) 7.180 5.024 ( -3.867 0.000 0.551) 3.906 5.221 ( -11.399 0.000 -0.313) 11.403 5.271 ( -4.515 0.000 2.497) 5.160 5.547 ( 7.595 0.000 -4.958) 9.071 5.559 ( 5.905 0.000 -10.881) 12.380 5.967 ( 1.576 0.000 -1.557) 2.216 6.163 ( 2.916 0.000 2.447) 3.807 6.383 ( 12.535 0.000 -1.824) 12.667 6.498 ( 1.994 0.000 1.605) 2.559 6.596 ( -1.456 0.000 11.171) 11.266 6.712 ( 2.875 0.000 -0.811) 2.988 6.840 ( -1.173 0.000 -3.409) 3.605 6.893 ( -6.490 0.000 0.900) 6.552 6.962 ( -4.483 0.000 9.767) 10.747 7.027 ( -3.875 0.000 -1.545) 4.172 7.638 ( -6.466 0.000 -1.841) 6.723 7.805 ( 6.891 0.000 -8.890) 11.248 8.179 ( 0.342 0.000 -2.137) 2.165 8.400 ( 1.406 0.000 -1.729) 2.228 8.427 ( 4.898 0.000 -3.095) 5.794 8.655 ( -1.620 0.000 4.133) 4.439 8.682 ( 4.987 0.000 -3.247) 5.951 8.891 ( -6.466 0.000 -1.857) 6.728 9.097 ( -0.775 0.000 -2.080) 2.219 9.107 ( 2.455 0.000 -0.796) 2.581 9.746 ( 2.103 0.000 3.115) 3.759 9.770 ( -4.751 0.000 10.332) 11.372 9.920 ( -3.630 0.000 5.180) 6.325 10.581 ( -1.972 0.000 -2.749) 3.383 10.618 ( -0.351 0.000 1.439) 1.481 10.666 ( 0.686 0.000 -2.582) 2.672 10.766 ( 0.212 0.000 -1.028) 1.049 11.179 ( 9.134 0.000 -9.349) 13.070 11.189 ( 1.973 0.000 -0.903) 2.170 11.625 ( 0.370 0.000 -2.322) 2.351 11.829 ( -1.436 0.000 -2.004) 2.466 11.857 ( 1.859 0.000 1.683) 2.507 12.021 ( 6.669 0.000 0.575) 6.694 12.122 ( -12.220 0.000 -1.516) 12.314 12.350 ( 1.929 0.000 -11.284) 11.448 12.439 ( 0.564 0.000 7.064) 7.087 12.866 ( -2.583 0.000 -3.193) 4.107 13.316 ( -0.272 0.000 2.271) 2.287 13.349 ( -3.140 0.000 0.209) 3.147 13.654 ( 6.384 0.000 -10.398) 12.201 13.662 ( 2.975 0.000 1.744) 3.448 13.989 ( 4.308 0.000 -3.163) 5.345 14.403 ( -1.645 0.000 0.760) 1.812 14.460 ( -3.332 0.000 17.213) 17.533 15.039 ( 1.512 0.000 -2.184) 2.656 15.151 ( 2.265 0.000 -13.966) 14.149 15.841 ( -0.880 0.000 11.930) 11.962 16.248 ( -0.973 0.000 -0.329) 1.027 16.312 ( -3.744 0.000 -9.866) 10.553 17.009 ( 0.996 0.000 -3.798) 3.927 19.645 ( -1.665 0.000 3.688) 4.046 19.821 ( 2.082 0.000 -0.194) 2.091 19.946 ( 0.313 0.000 3.195) 3.210 20.153 ( 4.294 0.000 14.923) 15.529 21.581 ( -2.014 0.000 8.750) 8.979 21.610 ( -0.910 0.000 -2.326) 2.498 21.628 ( -0.537 0.000 7.356) 7.376 22.092 ( -7.714 0.000 9.063) 11.901 22.505 ( 0.266 0.000 -0.744) 0.790 23.044 ( 1.568 0.000 3.120) 3.492 23.246 ( -0.347 0.000 -8.756) 8.763 23.349 ( -0.080 0.000 0.193) 0.209 23.964 ( 0.775 0.000 -0.599) 0.979 24.296 ( -0.572 0.000 -1.225) 1.352 24.589 ( 1.239 0.000 -6.038) 6.164 24.746 ( -2.966 0.000 -2.146) 3.661 ======================= Grid point 52 (20/104) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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| 1.038 ( -7.187 0.000 32.665) 33.446 1.592 ( -11.864 0.000 8.639) 14.676 1.737 ( 5.695 0.000 8.003) 9.823 1.816 ( 3.901 0.000 10.033) 10.765 2.323 ( 3.421 0.000 -1.318) 3.666 2.372 ( -28.471 0.000 3.146) 28.644 2.375 ( 3.634 0.000 -0.571) 3.678 2.571 ( 3.066 0.000 8.993) 9.501 2.583 ( -0.328 0.000 -1.216) 1.260 2.677 ( -5.362 0.000 -2.485) 5.909 2.871 ( 15.678 0.000 20.322) 25.667 2.928 ( 2.130 0.000 3.894) 4.438 3.340 ( -0.315 0.000 -6.339) 6.347 3.476 ( -0.489 0.000 1.239) 1.332 3.555 ( -2.103 0.000 -4.498) 4.966 3.661 ( -1.902 0.000 4.649) 5.023 3.685 ( 0.629 0.000 -1.024) 1.201 3.909 ( -2.535 0.000 -0.739) 2.640 4.118 ( 6.047 0.000 -6.309) 8.739 4.186 ( 0.654 0.000 -0.989) 1.186 4.335 ( 2.020 0.000 0.359) 2.051 4.389 ( 4.041 0.000 3.178) 5.141 4.877 ( -0.915 0.000 1.230) 1.533 4.915 ( -3.045 0.000 -0.122) 3.047 4.968 ( -0.102 0.000 2.563) 2.565 5.004 ( 3.407 0.000 1.499) 3.722 5.052 ( -5.149 0.000 1.280) 5.306 5.230 ( -0.693 0.000 1.369) 1.534 5.606 ( 2.185 0.000 -9.920) 10.157 5.608 ( 0.287 0.000 -5.403) 5.411 5.988 ( 1.124 0.000 0.236) 1.148 6.148 ( -4.495 0.000 -2.330) 5.063 6.498 ( -2.012 0.000 1.514) 2.518 6.595 ( -1.279 0.000 11.207) 11.279 6.615 ( 11.213 0.000 -1.169) 11.274 6.690 ( -7.811 0.000 1.076) 7.885 6.798 ( -1.435 0.000 1.438) 2.032 6.827 ( 0.301 0.000 -2.325) 2.344 6.921 ( -3.484 0.000 6.767) 7.611 7.012 ( 3.336 0.000 0.325) 3.352 7.572 ( -0.002 0.000 -2.255) 2.255 7.869 ( 1.923 0.000 -8.956) 9.160 8.177 ( 0.672 0.000 -5.879) 5.917 8.453 ( 4.289 0.000 2.017) 4.740 8.511 ( 5.583 0.000 -2.136) 5.978 8.629 ( -2.128 0.000 4.324) 4.819 8.734 ( -7.020 0.000 1.874) 7.266 8.802 ( 4.993 0.000 -5.193) 7.204 9.104 ( 2.034 0.000 -1.000) 2.266 9.131 ( 0.425 0.000 -2.388) 2.426 9.738 ( -1.781 0.000 3.171) 3.637 9.803 ( 2.886 0.000 10.363) 10.758 9.838 ( -5.831 0.000 2.428) 6.316 10.544 ( -0.789 0.000 -3.652) 3.736 10.574 ( -2.853 0.000 -2.401) 3.729 10.729 ( 4.878 0.000 3.024) 5.739 10.784 ( 1.605 0.000 0.281) 1.629 11.238 ( 3.099 0.000 2.533) 4.002 11.298 ( 6.227 0.000 -12.248) 13.740 11.609 ( -7.543 0.000 2.421) 7.922 11.749 ( -0.279 0.000 -11.163) 11.167 11.785 ( -7.927 0.000 -7.616) 10.993 11.921 ( -6.499 0.000 -3.033) 7.171 12.154 ( 5.498 0.000 5.935) 8.090 12.413 ( 5.842 0.000 -8.202) 10.070 12.511 ( 4.090 0.000 10.221) 11.009 12.788 ( -3.916 0.000 -3.671) 5.368 13.296 ( -2.204 0.000 0.558) 2.273 13.361 ( 3.440 0.000 3.345) 4.798 13.691 ( 0.911 0.000 -11.608) 11.644 13.704 ( 0.575 0.000 2.399) 2.467 14.051 ( 2.829 0.000 -0.966) 2.989 14.395 ( 0.697 0.000 2.019) 2.137 14.439 ( -3.047 0.000 17.214) 17.482 15.041 ( -0.626 0.000 -3.527) 3.582 15.143 ( 0.538 0.000 -14.691) 14.700 15.840 ( -2.586 0.000 10.559) 10.871 16.203 ( -5.038 0.000 -9.954) 11.156 16.242 ( 0.412 0.000 0.032) 0.413 17.016 ( 0.732 0.000 -3.541) 3.615 19.624 ( -1.336 0.000 3.141) 3.414 19.862 ( 2.236 0.000 -0.590) 2.312 19.960 ( 0.215 0.000 3.648) 3.655 20.303 ( 7.551 0.000 20.207) 21.571 21.569 ( -2.575 0.000 -6.505) 6.997 21.571 ( -1.511 0.000 9.075) 9.199 21.634 ( -0.779 0.000 6.907) 6.951 21.996 ( -5.658 0.000 8.161) 9.931 22.506 ( 0.050 0.000 -0.773) 0.775 23.061 ( -1.050 0.000 3.924) 4.062 23.207 ( -0.647 0.000 -9.618) 9.640 23.353 ( 0.347 0.000 0.645) 0.732 23.963 ( -0.646 0.000 -1.434) 1.573 24.294 ( 0.665 0.000 -0.719) 0.979 24.596 ( 1.057 0.000 -6.371) 6.458 24.700 ( -1.429 0.000 -3.017) 3.338 ======================= Grid point 53 (21/104) ======================= q-point: (-0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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| 0.928 ( -12.976 0.000 30.292) 32.954 1.164 ( -27.213 0.000 9.685) 28.886 1.630 ( -34.144 0.000 0.824) 34.154 1.973 ( 8.135 0.000 3.914) 9.027 2.043 ( -0.535 0.000 22.942) 22.949 2.354 ( 2.206 0.000 -1.241) 2.531 2.488 ( 7.554 0.000 2.431) 7.936 2.589 ( 1.248 0.000 -2.311) 2.627 2.630 ( 1.772 0.000 10.825) 10.970 2.697 ( 5.380 0.000 1.758) 5.660 3.047 ( 10.661 0.000 1.380) 10.750 3.075 ( 1.287 0.000 9.953) 10.036 3.329 ( 0.181 0.000 -6.145) 6.147 3.470 ( -0.913 0.000 -0.161) 0.927 3.560 ( 3.337 0.000 -4.560) 5.651 3.655 ( 0.470 0.000 3.257) 3.291 3.786 ( 9.903 0.000 0.971) 9.951 3.872 ( -0.941 0.000 2.308) 2.492 4.154 ( 2.172 0.000 -5.884) 6.272 4.265 ( -6.340 0.000 -0.948) 6.410 4.341 ( 12.611 0.000 1.611) 12.713 4.464 ( -1.706 0.000 2.597) 3.107 4.816 ( -2.722 0.000 1.881) 3.309 4.840 ( -4.219 0.000 -0.064) 4.220 4.990 ( 0.481 0.000 3.337) 3.371 5.017 ( 0.613 0.000 4.808) 4.847 5.172 ( 11.294 0.000 -2.677) 11.607 5.238 ( 1.405 0.000 -6.160) 6.318 5.557 ( -3.050 0.000 -4.084) 5.097 5.592 ( -1.419 0.000 -3.549) 3.823 6.010 ( 1.017 0.000 -0.965) 1.402 6.011 ( -8.561 0.000 -4.036) 9.465 6.472 ( -0.598 0.000 2.333) 2.408 6.475 ( -11.932 0.000 1.512) 12.027 6.619 ( 0.909 0.000 11.281) 11.318 6.765 ( 0.290 0.000 -1.561) 1.587 6.818 ( -0.550 0.000 -2.332) 2.396 6.843 ( -6.872 0.000 2.834) 7.434 6.846 ( 8.424 0.000 2.191) 8.704 7.088 ( 2.720 0.000 1.274) 3.004 7.631 ( 6.997 0.000 -2.693) 7.497 7.821 ( -4.736 0.000 -5.288) 7.099 8.191 ( 3.198 0.000 -9.565) 10.086 8.552 ( -8.238 0.000 1.205) 8.325 8.560 ( 5.934 0.000 6.380) 8.713 8.607 ( -1.270 0.000 3.577) 3.796 8.649 ( 6.226 0.000 -2.189) 6.600 8.889 ( 3.797 0.000 -2.451) 4.520 9.105 ( -2.621 0.000 -1.845) 3.205 9.168 ( 5.048 0.000 0.283) 5.056 9.703 ( -2.635 0.000 1.028) 2.829 9.757 ( -2.031 0.000 -2.120) 2.935 9.939 ( 9.335 0.000 23.110) 24.924 10.514 ( -2.821 0.000 -2.491) 3.763 10.544 ( 1.817 0.000 -3.281) 3.750 10.820 ( 2.069 0.000 1.150) 2.367 10.847 ( 6.471 0.000 5.809) 8.696 11.302 ( -7.727 0.000 -8.609) 11.568 11.311 ( 3.836 0.000 4.177) 5.671 11.407 ( -5.080 0.000 -4.451) 6.754 11.578 ( -11.203 0.000 -11.027) 15.719 11.765 ( 2.578 0.000 -13.846) 14.084 11.873 ( 0.460 0.000 -0.029) 0.461 12.259 ( 4.398 0.000 8.199) 9.304 12.446 ( -1.237 0.000 -7.682) 7.781 12.609 ( 2.972 0.000 10.691) 11.097 12.750 ( 1.953 0.000 -7.010) 7.276 13.249 ( -2.553 0.000 -0.717) 2.652 13.444 ( 2.140 0.000 1.703) 2.735 13.633 ( -2.818 0.000 -13.019) 13.320 13.688 ( -2.802 0.000 2.581) 3.809 14.088 ( 1.504 0.000 0.402) 1.557 14.438 ( 2.973 0.000 2.100) 3.640 14.466 ( 1.851 0.000 18.024) 18.119 15.002 ( -2.298 0.000 -3.522) 4.205 15.076 ( -4.300 0.000 -18.801) 19.287 15.795 ( -4.611 0.000 5.115) 6.887 16.081 ( -5.859 0.000 -7.845) 9.792 16.260 ( 1.406 0.000 0.041) 1.407 17.016 ( 0.250 0.000 -3.444) 3.453 19.617 ( -0.161 0.000 2.462) 2.467 19.897 ( 1.586 0.000 1.146) 1.957 19.968 ( -0.530 0.000 4.101) 4.135 20.559 ( 14.928 0.000 29.964) 33.477 21.471 ( -5.976 0.000 -14.629) 15.802 21.572 ( -0.907 0.000 9.356) 9.400 21.635 ( -1.096 0.000 6.833) 6.920 21.919 ( -5.129 0.000 9.033) 10.388 22.504 ( -0.111 0.000 -0.755) 0.763 23.029 ( -2.889 0.000 3.148) 4.273 23.167 ( -1.696 0.000 -12.421) 12.537 23.362 ( 0.418 0.000 0.638) 0.763 23.939 ( -1.188 0.000 -1.717) 2.088 24.312 ( 1.231 0.000 -0.405) 1.296 24.594 ( 0.467 0.000 -6.033) 6.051 24.681 ( 0.306 0.000 -3.019) 3.035 ======================= Grid point 54 (22/104) ======================= q-point: (-0.17 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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| 0.674 ( -25.759 0.000 13.367) 29.021 0.729 ( -22.293 0.000 18.676) 29.082 1.036 ( -24.832 0.000 31.453) 40.074 2.046 ( 1.543 0.000 -2.852) 3.243 2.136 ( 1.056 0.000 25.054) 25.076 2.419 ( 3.788 0.000 1.179) 3.967 2.605 ( 0.909 0.000 -1.820) 2.034 2.634 ( 6.013 0.000 1.621) 6.228 2.709 ( 4.024 0.000 9.046) 9.901 2.788 ( 3.421 0.000 6.144) 7.033 3.063 ( -2.789 0.000 6.406) 6.987 3.284 ( 11.263 0.000 -0.391) 11.270 3.307 ( -0.247 0.000 -7.389) 7.393 3.436 ( -1.423 0.000 0.451) 1.493 3.615 ( 3.756 0.000 -4.918) 6.188 3.712 ( 4.800 0.000 1.802) 5.127 3.908 ( 4.223 0.000 4.748) 6.354 3.962 ( 6.504 0.000 2.243) 6.880 4.111 ( -9.244 0.000 -4.654) 10.350 4.206 ( 4.827 0.000 -4.241) 6.425 4.336 ( -10.943 0.000 4.277) 11.749 4.524 ( 4.250 0.000 -2.771) 5.074 4.803 ( -0.445 0.000 -0.065) 0.450 4.823 ( 4.101 0.000 4.315) 5.953 4.982 ( -2.549 0.000 2.220) 3.380 5.064 ( 2.617 0.000 6.438) 6.950 5.218 ( -0.215 0.000 -9.648) 9.650 5.338 ( 6.088 0.000 -5.440) 8.165 5.526 ( 0.887 0.000 -2.344) 2.506 5.551 ( -3.568 0.000 1.175) 3.756 5.868 ( -4.586 0.000 -1.101) 4.716 5.999 ( -2.370 0.000 -2.059) 3.140 6.281 ( -9.037 0.000 0.736) 9.067 6.498 ( 2.177 0.000 5.140) 5.582 6.681 ( -10.199 0.000 -1.254) 10.275 6.688 ( 4.198 0.000 6.884) 8.063 6.750 ( -1.287 0.000 -1.269) 1.807 6.822 ( 2.054 0.000 2.074) 2.919 6.979 ( 4.797 0.000 2.315) 5.326 7.102 ( -0.628 0.000 -0.265) 0.681 7.712 ( -4.846 0.000 -2.455) 5.432 7.788 ( 9.916 0.000 -3.099) 10.389 8.234 ( 3.870 0.000 -10.150) 10.863 8.371 ( -10.310 0.000 0.610) 10.328 8.597 ( 0.158 0.000 -1.317) 1.327 8.680 ( 3.362 0.000 8.214) 8.876 8.789 ( 7.163 0.000 -1.139) 7.253 8.900 ( -1.512 0.000 -5.398) 5.606 9.051 ( -2.344 0.000 2.031) 3.102 9.272 ( 4.973 0.000 0.362) 4.987 9.650 ( -2.967 0.000 -0.197) 2.974 9.777 ( 4.796 0.000 -3.788) 6.111 10.409 ( 33.962 0.000 30.065) 45.358 10.472 ( -0.713 0.000 -2.373) 2.478 10.622 ( 13.672 0.000 14.458) 19.899 10.856 ( 1.068 0.000 0.662) 1.256 10.964 ( 3.528 0.000 6.681) 7.555 11.054 ( -13.399 0.000 -1.265) 13.459 11.351 ( -8.374 0.000 -10.683) 13.574 11.403 ( 3.881 0.000 4.789) 6.164 11.412 ( 5.129 0.000 -9.968) 11.211 11.784 ( 3.290 0.000 -14.883) 15.242 11.867 ( -1.627 0.000 0.970) 1.894 12.313 ( -12.319 0.000 -12.599) 17.621 12.357 ( 3.240 0.000 10.224) 10.725 12.647 ( -1.718 0.000 6.988) 7.196 12.796 ( 3.766 0.000 -8.895) 9.659 13.219 ( -0.140 0.000 -0.061) 0.153 13.238 ( -23.905 0.000 -19.952) 31.137 13.632 ( -3.379 0.000 2.246) 4.058 13.638 ( 3.596 0.000 -1.153) 3.776 14.114 ( 0.815 0.000 -0.841) 1.171 14.489 ( 1.580 0.000 0.375) 1.624 14.594 ( 3.849 0.000 8.186) 9.046 14.841 ( -13.169 0.000 -16.110) 20.808 14.959 ( -1.158 0.000 -1.767) 2.112 15.708 ( -3.933 0.000 1.089) 4.081 15.972 ( -4.267 0.000 4.398) 6.128 16.284 ( 0.973 0.000 -0.268) 1.009 17.010 ( 0.044 0.000 -3.610) 3.611 19.629 ( 0.763 0.000 2.237) 2.364 19.927 ( 1.149 0.000 2.994) 3.207 19.962 ( -1.257 0.000 4.193) 4.377 20.982 ( 5.169 0.000 15.153) 16.010 21.301 ( 7.571 0.000 -9.531) 12.172 21.584 ( -0.479 0.000 9.423) 9.435 21.629 ( -1.499 0.000 7.098) 7.255 21.898 ( 3.744 0.000 19.160) 19.522 22.500 ( -0.056 0.000 -0.709) 0.711 22.961 ( -8.099 0.000 -9.255) 12.299 23.051 ( -6.303 0.000 -3.806) 7.363 23.368 ( 0.030 0.000 0.149) 0.151 23.920 ( -0.406 0.000 -1.189) 1.256 24.330 ( 0.691 0.000 -0.539) 0.876 24.586 ( 0.466 0.000 -5.305) 5.325 24.712 ( 4.568 0.000 -0.638) 4.612 ======================= Grid point 55 (23/104) ======================= q-point: ( 0.00 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 3.725 25.024 12.313) 28.137 0.830 ( -1.465 20.507 18.980) 27.981 1.549 ( -0.317 45.212 26.164) 52.238 2.114 ( 0.106 4.318 0.528) 4.351 2.262 ( -2.461 5.772 12.809) 14.263 2.507 ( 0.843 3.287 3.533) 4.899 2.629 ( -3.228 4.950 1.932) 6.218 2.687 ( -0.377 -2.256 8.608) 8.907 2.826 ( -0.760 10.681 2.212) 10.934 2.888 ( 3.425 4.032 1.818) 5.594 3.020 ( -4.943 -1.057 0.723) 5.106 3.199 ( -2.059 -1.928 0.149) 2.825 3.457 ( 2.804 -1.309 1.037) 3.264 3.552 ( -2.303 -5.168 -3.545) 6.677 3.566 ( 3.209 6.807 -1.196) 7.620 3.731 ( -0.012 3.446 -2.407) 4.204 3.943 ( -6.793 0.132 -4.910) 8.383 3.978 ( 1.062 -2.710 1.942) 3.499 4.060 ( -0.666 -0.641 3.506) 3.626 4.217 ( -2.047 0.199 2.500) 3.238 4.395 ( 7.230 12.020 -2.808) 14.306 4.508 ( -1.127 -6.167 -0.218) 6.272 4.751 ( -0.370 -2.172 3.188) 3.875 4.882 ( 0.232 0.287 -2.767) 2.791 4.969 ( -3.112 1.316 0.057) 3.379 5.044 ( 1.357 -7.944 5.807) 9.933 5.149 ( 3.685 -2.627 2.784) 5.313 5.409 ( 3.095 1.951 2.246) 4.293 5.450 ( 2.815 -0.779 -3.724) 4.733 5.540 ( -3.210 0.858 -2.244) 4.009 5.854 ( -1.537 -5.819 -1.025) 6.105 5.988 ( 3.410 8.508 3.011) 9.648 6.134 ( -2.487 -3.635 -1.054) 4.528 6.434 ( -0.514 -4.342 1.520) 4.629 6.537 ( -0.428 -2.496 6.254) 6.747 6.568 ( -1.136 -4.953 3.806) 6.349 6.816 ( 1.672 -3.235 3.463) 5.025 6.995 ( -0.411 3.287 -4.203) 5.352 7.029 ( -4.157 1.025 -7.079) 8.273 7.293 ( 8.385 5.668 -6.476) 12.015 7.705 ( -0.013 4.131 -1.537) 4.408 7.885 ( 0.652 -1.218 -2.974) 3.279 8.246 ( -3.333 0.627 1.400) 3.669 8.293 ( 0.961 1.818 -5.400) 5.778 8.471 ( -3.149 -5.125 -0.907) 6.084 8.636 ( -3.001 -2.490 5.216) 6.512 8.766 ( -6.400 -1.865 -5.554) 8.677 8.931 ( 3.062 -4.071 2.255) 5.570 9.072 ( 0.708 3.138 1.968) 3.771 9.263 ( -2.558 1.282 0.438) 2.895 9.608 ( 1.456 -1.644 -1.385) 2.596 9.872 ( 5.565 -0.733 -0.417) 5.629 9.994 ( -9.063 -12.765 19.117) 24.709 10.609 ( 4.027 0.476 -3.705) 5.493 10.807 ( -6.735 -1.559 -1.783) 7.139 10.838 ( -8.072 -1.177 -0.952) 8.212 10.876 ( -2.040 2.211 -2.547) 3.941 11.063 ( -0.891 0.478 -1.032) 1.445 11.206 ( -0.631 -0.835 -6.030) 6.120 11.444 ( 9.779 -5.628 -0.259) 11.285 11.623 ( -0.659 -7.661 0.347) 7.697 11.643 ( 4.594 1.298 4.932) 6.863 11.784 ( 5.273 -4.134 -5.595) 8.729 12.301 ( -5.647 -6.729 7.426) 11.503 12.517 ( -4.448 -0.928 -0.456) 4.567 12.531 ( 13.011 6.497 -3.291) 14.911 12.710 ( -3.712 0.023 3.829) 5.333 12.857 ( 3.303 -0.154 -6.534) 7.324 13.505 ( -4.025 -4.890 -2.739) 6.901 13.522 ( 2.775 -6.713 0.319) 7.271 13.779 ( -0.646 10.514 -11.125) 15.320 13.985 ( -7.896 -3.112 -7.979) 11.649 14.308 ( 7.755 -0.793 6.612) 10.222 14.586 ( 1.103 3.850 8.108) 9.043 14.946 ( -3.016 16.238 -5.119) 17.291 15.447 ( -0.026 13.383 -17.134) 21.741 15.743 ( 3.488 -1.411 7.363) 8.269 16.006 ( 8.026 -3.548 3.977) 9.635 16.374 ( 0.682 6.362 -3.046) 7.087 16.985 ( 2.568 -2.248 -3.532) 4.912 19.634 ( 0.990 -1.366 2.854) 3.315 19.883 ( -3.657 -5.764 5.563) 8.806 20.012 ( -1.241 5.106 2.981) 6.041 20.269 ( -21.151 -2.393 15.678) 26.437 21.209 ( 14.793 -23.077 24.386) 36.689 21.461 ( -1.659 -10.838 5.304) 12.180 21.620 ( 0.182 -0.319 10.442) 10.449 21.715 ( -0.907 2.960 4.095) 5.133 22.583 ( -0.672 -5.835 -0.438) 5.890 22.839 ( 1.321 -5.700 -2.550) 6.382 23.410 ( -0.173 4.154 -0.394) 4.176 23.494 ( 0.572 10.005 -3.924) 10.762 24.197 ( -3.488 3.797 -12.535) 13.554 24.415 ( 5.500 1.219 -5.898) 8.156 24.695 ( 1.265 13.968 -9.402) 16.885 24.932 ( 2.817 8.338 -8.846) 12.478 ======================= Grid point 56 (24/104) ======================= q-point: ( 0.17 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 11.442 10.973 19.752) 25.327 1.005 ( 7.720 15.889 21.430) 27.772 1.767 ( 12.633 36.124 15.516) 41.295 2.134 ( 1.643 6.243 4.449) 7.840 2.244 ( -1.400 5.178 10.980) 12.220 2.492 ( -3.821 4.226 2.363) 6.168 2.506 ( -8.325 6.362 1.904) 10.649 2.691 ( -2.016 -0.766 12.183) 12.372 2.784 ( -3.535 12.675 3.304) 13.568 2.910 ( -2.006 -2.560 0.875) 3.368 2.974 ( 0.390 5.482 -2.131) 5.894 3.111 ( -8.788 -3.715 -1.470) 9.653 3.411 ( -7.142 7.187 -4.367) 11.033 3.521 ( 2.888 -2.001 0.834) 3.611 3.630 ( 2.542 -0.028 2.586) 3.627 3.706 ( -1.545 6.133 -2.479) 6.793 3.830 ( -3.560 -4.720 -3.099) 6.675 3.970 ( -0.003 -4.108 -0.563) 4.147 4.055 ( -4.111 -1.906 5.317) 6.986 4.134 ( -5.825 1.285 -1.917) 6.266 4.426 ( -3.952 -0.326 -5.369) 6.675 4.546 ( 4.636 9.126 -0.878) 10.273 4.739 ( 0.042 1.412 3.960) 4.204 4.870 ( -7.454 -3.597 4.339) 9.345 4.901 ( 2.324 -1.799 -1.820) 3.457 5.130 ( 3.228 -1.375 1.917) 3.998 5.264 ( 7.299 -5.307 4.057) 9.894 5.395 ( -6.695 -3.156 -2.449) 7.797 5.461 ( -3.054 4.422 -0.615) 5.409 5.509 ( 5.423 3.266 -4.728) 7.901 5.856 ( 2.003 -6.534 -1.341) 6.964 6.099 ( 6.204 5.860 4.798) 9.790 6.144 ( 4.568 -5.838 -2.868) 7.948 6.440 ( 1.989 -1.423 0.905) 2.608 6.541 ( -1.151 -3.663 7.224) 8.181 6.601 ( 3.012 -7.657 1.315) 8.333 6.859 ( 1.544 -2.767 3.755) 4.914 6.891 ( -7.824 2.074 -4.436) 9.230 6.979 ( -1.178 -0.750 -1.019) 1.729 7.318 ( -4.428 4.520 -3.689) 7.325 7.726 ( 1.952 3.626 -3.310) 5.284 7.827 ( -3.956 1.668 -4.295) 6.072 8.161 ( -4.076 -2.206 2.898) 5.466 8.363 ( 4.851 1.684 -1.839) 5.454 8.421 ( -0.006 0.665 -3.979) 4.034 8.607 ( -0.061 -1.884 1.171) 2.219 8.649 ( -4.665 -2.994 -0.984) 5.630 8.962 ( 0.073 -2.868 -1.382) 3.185 9.096 ( 1.267 3.417 1.913) 4.116 9.190 ( -4.028 3.265 -1.404) 5.371 9.658 ( 3.149 -2.402 0.089) 3.962 9.870 ( -6.893 -0.096 13.390) 15.061 9.947 ( 1.806 -0.332 3.444) 3.903 10.601 ( -4.151 -0.633 -1.061) 4.331 10.698 ( -5.288 1.995 0.329) 5.662 10.750 ( 2.353 4.732 -6.247) 8.182 10.810 ( -2.803 2.447 -4.763) 6.044 11.036 ( 0.816 -0.948 -2.314) 2.631 11.210 ( 2.112 2.845 -4.159) 5.464 11.549 ( -2.482 -8.894 -2.208) 9.494 11.673 ( 12.292 -4.505 6.237) 14.501 11.777 ( 4.389 1.110 4.477) 6.367 11.857 ( 5.166 -5.898 -5.611) 9.641 12.203 ( -6.164 -7.868 2.026) 10.198 12.386 ( -8.710 -2.501 -3.232) 9.621 12.560 ( -4.392 5.147 -2.045) 7.069 12.874 ( 8.206 -6.095 -0.687) 10.245 12.914 ( 5.550 -4.892 0.834) 7.445 13.416 ( -4.857 -4.496 -0.315) 6.626 13.582 ( 3.542 -3.507 -0.361) 4.997 13.771 ( 2.662 5.518 -8.902) 10.807 13.886 ( -1.138 -2.585 -5.526) 6.206 14.428 ( 0.912 3.640 10.389) 11.046 14.675 ( 6.405 3.219 -1.482) 7.320 14.906 ( 0.177 13.011 -3.133) 13.384 15.411 ( 0.275 13.321 -10.630) 17.045 15.782 ( 0.081 -2.877 10.529) 10.915 16.127 ( 2.648 -12.511 -2.754) 13.081 16.359 ( -1.532 5.511 -3.044) 6.480 17.044 ( 3.795 0.478 -5.473) 6.677 19.654 ( -0.164 -1.057 3.196) 3.370 19.789 ( -4.786 -2.832 6.894) 8.857 20.002 ( -0.259 5.718 1.847) 6.014 20.137 ( -1.003 5.713 12.665) 13.930 21.439 ( 2.592 -15.122 8.527) 17.553 21.446 ( 0.109 -19.924 11.595) 23.052 21.671 ( 1.511 -4.378 10.860) 11.806 21.716 ( 0.226 0.744 4.308) 4.378 22.570 ( -0.487 -3.654 -0.578) 3.731 22.874 ( 2.831 -10.042 -2.617) 10.757 23.403 ( -0.605 4.743 -0.335) 4.793 23.468 ( -2.100 10.344 -3.381) 11.084 24.094 ( -4.047 5.153 -7.564) 10.007 24.436 ( -0.852 2.129 -3.965) 4.580 24.690 ( 0.818 13.379 -7.992) 15.606 24.877 ( -4.337 6.548 -4.148) 8.882 ======================= Grid point 57 (25/104) ======================= q-point: ( 0.33 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 4.875 9.433 24.658) 26.847 1.261 ( 20.078 4.453 16.960) 26.657 1.910 ( 1.094 15.565 8.315) 17.680 2.034 ( -18.527 1.772 4.164) 19.071 2.271 ( 3.497 1.778 -3.939) 5.559 2.450 ( -2.068 6.561 0.054) 6.880 2.528 ( 8.760 14.384 14.913) 22.495 2.701 ( 0.474 4.716 8.521) 9.751 2.739 ( -0.429 11.172 5.909) 12.646 2.835 ( -9.017 1.284 4.370) 10.102 2.916 ( -3.798 -0.891 -2.942) 4.887 2.963 ( -3.567 10.960 -1.310) 11.600 3.342 ( -0.491 4.517 -3.960) 6.027 3.581 ( 2.878 1.138 -0.114) 3.097 3.651 ( -2.497 2.117 1.583) 3.636 3.655 ( -2.215 2.145 2.601) 4.034 3.765 ( -3.729 -3.351 0.699) 5.062 3.872 ( -10.177 -1.751 -1.000) 10.375 3.982 ( 0.244 -7.291 -2.610) 7.748 4.086 ( -1.287 -2.697 -0.069) 2.989 4.396 ( 1.587 7.915 -6.252) 10.211 4.563 ( 1.840 8.363 -0.037) 8.563 4.746 ( -5.854 -6.543 2.987) 9.273 4.803 ( 3.084 -1.074 4.732) 5.750 4.947 ( 2.634 1.951 0.042) 3.278 5.108 ( -5.139 -1.779 2.291) 5.901 5.239 ( -8.455 1.142 -1.958) 8.753 5.355 ( 0.043 4.072 5.181) 6.590 5.466 ( 3.889 -2.843 -2.524) 5.439 5.579 ( 3.870 0.786 -9.852) 10.614 5.888 ( 1.081 -7.162 0.434) 7.256 6.187 ( 2.801 0.930 1.135) 3.162 6.275 ( 7.704 -6.610 -0.986) 10.198 6.510 ( 2.367 -2.979 4.316) 5.754 6.554 ( 3.097 -2.668 6.383) 7.580 6.653 ( 1.752 -6.701 -0.740) 6.965 6.754 ( -4.945 -0.025 -0.875) 5.022 6.884 ( 0.214 -2.679 3.378) 4.316 6.956 ( -1.281 1.468 -0.307) 1.973 7.175 ( -8.959 5.320 1.308) 10.502 7.668 ( -4.955 3.590 -2.671) 6.677 7.832 ( 4.153 1.484 -7.205) 8.448 8.136 ( 0.428 -3.259 -0.795) 3.382 8.414 ( 2.464 -0.942 -2.861) 3.891 8.451 ( 2.815 3.224 -3.373) 5.450 8.583 ( -3.593 -4.880 5.458) 8.155 8.669 ( 6.510 -0.546 -2.849) 7.127 8.921 ( -3.836 0.228 -3.529) 5.217 9.111 ( -0.721 1.575 -1.068) 2.035 9.143 ( 0.099 2.763 0.767) 2.869 9.706 ( 1.872 -2.641 1.787) 3.697 9.819 ( -2.244 5.434 7.916) 9.860 9.953 ( -2.256 1.973 4.284) 5.228 10.524 ( -3.545 -3.331 -2.319) 5.389 10.633 ( -2.126 1.056 -0.383) 2.404 10.761 ( -0.168 -0.131 -2.031) 2.042 10.797 ( 2.180 8.882 -3.837) 9.917 11.089 ( 5.461 -4.574 -5.728) 9.141 11.252 ( 2.965 2.065 -3.029) 4.715 11.530 ( 0.764 -7.786 -1.097) 7.900 11.785 ( -2.429 -3.263 -2.431) 4.739 11.855 ( 3.293 -1.234 2.651) 4.404 11.980 ( 7.746 -3.647 0.785) 8.597 12.074 ( -8.421 -3.525 -2.775) 9.542 12.250 ( -1.733 -7.383 -3.375) 8.301 12.493 ( -2.877 1.123 2.369) 3.892 12.886 ( -1.250 1.971 -3.543) 4.243 13.037 ( 3.642 -11.449 2.984) 12.380 13.354 ( -1.506 -0.863 0.755) 1.893 13.642 ( 2.888 -1.354 -0.142) 3.193 13.813 ( 3.522 1.415 -6.179) 7.252 13.883 ( 1.487 -4.241 -3.320) 5.588 14.406 ( -5.180 3.082 10.994) 12.538 14.769 ( 4.614 11.661 -4.878) 13.456 14.930 ( 2.271 7.409 -1.018) 7.816 15.397 ( 0.636 13.437 -9.295) 16.351 15.812 ( -0.024 -2.190 10.707) 10.929 16.111 ( -2.435 -13.788 -3.912) 14.538 16.315 ( -2.005 5.215 -1.242) 5.724 17.075 ( 1.268 2.787 -5.677) 6.450 19.636 ( -2.343 -0.755 4.611) 5.227 19.782 ( 1.412 -3.552 2.637) 4.644 20.007 ( 0.295 5.741 1.355) 5.906 20.196 ( 3.013 3.721 13.133) 13.979 21.418 ( -2.217 -11.898 2.233) 12.307 21.499 ( -0.535 -15.911 12.005) 19.939 21.682 ( -1.625 0.949 4.634) 5.002 21.752 ( 0.590 -7.369 8.437) 11.217 22.566 ( 0.196 -1.100 -0.114) 1.123 22.915 ( 2.336 -16.056 -4.242) 16.771 23.373 ( -2.468 12.605 -0.572) 12.857 23.430 ( -0.766 6.166 -0.549) 6.238 24.031 ( -1.364 4.530 -3.141) 5.679 24.396 ( -2.080 2.643 -2.645) 4.279 24.690 ( 1.212 11.088 -6.803) 13.065 24.807 ( -2.262 6.567 -2.933) 7.539 ======================= Grid point 58 (26/104) ======================= q-point: (-0.50 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( -5.688 11.291 25.100) 28.104 1.558 ( -21.375 -1.018 5.679) 22.140 1.732 ( 13.676 0.744 9.985) 16.949 1.959 ( 3.112 10.757 10.152) 15.115 2.370 ( 6.570 3.471 -2.916) 7.982 2.422 ( -0.943 4.552 -2.075) 5.091 2.580 ( -8.266 0.749 0.342) 8.307 2.596 ( -5.189 7.612 10.736) 14.147 2.710 ( 0.677 8.748 0.259) 8.778 2.776 ( -10.336 19.072 0.936) 21.713 2.930 ( 3.582 0.409 3.034) 4.712 3.047 ( 12.270 13.600 14.382) 23.289 3.329 ( -0.060 4.537 -4.388) 6.312 3.562 ( -4.104 1.156 -3.133) 5.291 3.594 ( -1.705 4.757 0.755) 5.109 3.635 ( -1.528 -0.727 3.609) 3.986 3.685 ( -1.574 0.126 -1.550) 2.213 3.852 ( 4.557 -3.419 3.744) 6.817 3.973 ( 0.675 -9.485 -3.151) 10.017 4.098 ( 3.249 -4.000 -0.235) 5.159 4.400 ( 0.068 5.471 -5.444) 7.719 4.636 ( 1.772 0.486 2.126) 2.810 4.679 ( -0.404 2.597 3.996) 4.783 4.893 ( 6.133 -1.780 1.945) 6.676 4.990 ( 1.183 4.563 2.001) 5.121 5.004 ( -5.614 -3.056 2.882) 7.012 5.112 ( -3.671 3.066 -2.743) 5.514 5.340 ( -2.206 7.456 2.029) 8.035 5.498 ( -0.479 -8.196 -3.578) 8.955 5.596 ( 0.791 -0.789 -9.283) 9.349 5.901 ( 0.099 -7.402 1.754) 7.608 6.177 ( -3.685 1.329 -2.147) 4.467 6.372 ( 2.752 -7.990 -0.380) 8.460 6.532 ( -0.268 -4.612 7.116) 8.484 6.581 ( -5.423 -6.588 3.621) 9.270 6.718 ( 5.268 3.134 -0.532) 6.153 6.741 ( 3.548 -4.144 2.116) 5.852 6.892 ( 0.485 -0.080 1.800) 1.866 6.912 ( -3.773 4.046 -0.141) 5.534 7.072 ( -1.329 2.261 2.416) 3.566 7.619 ( 0.777 4.424 -2.083) 4.951 7.868 ( 1.241 -0.096 -7.458) 7.561 8.151 ( 1.679 -2.834 -3.630) 4.902 8.460 ( 2.394 -2.283 -0.010) 3.308 8.496 ( 3.001 2.565 -0.734) 4.015 8.545 ( -1.419 -4.770 4.823) 6.930 8.777 ( 2.351 -1.902 -5.787) 6.529 8.835 ( -1.109 4.142 -0.157) 4.291 9.104 ( 1.078 0.890 -1.163) 1.818 9.154 ( -0.117 1.391 0.615) 1.525 9.726 ( -0.706 -2.996 1.645) 3.490 9.811 ( -1.585 4.797 8.165) 9.601 9.902 ( -2.711 4.867 1.614) 5.800 10.467 ( -1.614 -4.895 -3.837) 6.426 10.609 ( -0.416 1.523 -1.282) 2.034 10.775 ( 2.013 -0.643 0.163) 2.120 10.841 ( 3.661 8.863 -1.028) 9.644 11.181 ( 5.786 -5.331 -5.898) 9.833 11.281 ( 0.443 -1.304 -1.463) 2.009 11.521 ( -4.303 -6.770 -0.572) 8.042 11.696 ( -5.339 -3.618 -7.941) 10.230 11.815 ( -2.214 1.172 -7.035) 7.468 11.903 ( -8.276 -1.869 -4.609) 9.655 12.123 ( 6.038 -3.136 5.752) 8.910 12.318 ( 7.377 -7.852 -1.683) 10.904 12.466 ( -1.592 -4.767 6.466) 8.189 12.857 ( -0.300 5.510 -3.462) 6.514 13.063 ( -1.425 -10.403 1.765) 10.648 13.366 ( 2.093 -0.676 2.255) 3.150 13.677 ( 0.593 -1.402 0.087) 1.525 13.854 ( 2.635 3.098 -8.051) 9.020 13.917 ( 2.712 -5.748 0.893) 6.418 14.323 ( -6.126 1.711 9.469) 11.407 14.830 ( 3.212 9.927 -4.248) 11.265 14.959 ( 0.850 12.123 0.686) 12.172 15.377 ( -0.237 12.364 -10.284) 16.084 15.814 ( -2.875 -1.894 7.406) 8.167 16.051 ( -2.511 -11.061 -3.292) 11.811 16.296 ( 0.232 4.880 -0.301) 4.895 17.068 ( -0.359 2.586 -5.657) 6.231 19.608 ( -1.653 -1.067 4.020) 4.476 19.822 ( 1.911 -4.179 2.367) 5.169 20.017 ( 0.231 5.381 1.868) 5.700 20.305 ( 4.839 0.544 16.850) 17.540 21.363 ( -4.671 -14.318 -0.075) 15.060 21.506 ( -1.609 -13.033 10.078) 16.553 21.653 ( -2.535 1.299 4.138) 5.024 21.764 ( -1.363 -4.453 7.382) 8.728 22.573 ( 0.461 0.211 0.470) 0.691 22.925 ( -0.061 -18.908 -5.840) 19.790 23.346 ( 0.185 17.366 0.363) 17.371 23.428 ( 0.208 4.205 0.404) 4.229 24.022 ( 1.068 4.707 -2.040) 5.240 24.356 ( -1.379 1.643 -3.107) 3.775 24.696 ( 1.099 9.598 -6.531) 11.661 24.777 ( -0.182 7.930 -3.269) 8.580 ======================= Grid point 59 (27/104) ======================= q-point: (-0.33 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -23.088 1.202 11.434) 25.792 1.116 ( -15.687 12.804 18.268) 27.271 1.970 ( -0.206 11.574 10.731) 15.785 2.096 ( 7.160 9.666 4.699) 12.915 2.272 ( -16.588 25.321 9.342) 31.679 2.363 ( -0.750 1.302 -1.434) 2.077 2.515 ( 4.891 2.357 3.345) 6.377 2.644 ( 7.080 1.710 1.624) 7.463 2.684 ( -1.552 6.046 5.517) 8.330 2.746 ( 2.293 8.246 2.349) 8.875 3.063 ( 9.489 -0.161 2.048) 9.708 3.169 ( -1.736 7.364 8.695) 11.526 3.337 ( 2.629 6.041 -3.788) 7.600 3.495 ( -1.363 -1.601 -2.051) 2.937 3.587 ( 0.347 -1.690 -4.441) 4.764 3.627 ( 0.056 2.012 1.151) 2.318 3.751 ( 6.670 -2.954 2.922) 7.858 3.921 ( 3.106 3.904 2.594) 5.623 4.010 ( 2.760 -6.775 -0.606) 7.341 4.215 ( 7.558 -6.312 4.971) 11.031 4.380 ( 0.157 6.603 -8.244) 10.563 4.596 ( -4.447 -5.120 -1.130) 6.875 4.713 ( 0.347 6.005 4.715) 7.643 4.937 ( -3.934 4.205 0.453) 5.776 4.952 ( -0.994 -1.377 10.300) 10.439 5.042 ( 5.598 2.254 0.783) 6.085 5.139 ( 5.207 -2.301 -6.483) 8.627 5.280 ( -2.940 0.813 -3.556) 4.685 5.466 ( -1.306 -4.556 -2.005) 5.146 5.564 ( -1.796 -1.741 -3.896) 4.630 5.898 ( -0.717 -7.307 0.652) 7.371 6.080 ( -5.225 3.385 -2.906) 6.870 6.394 ( -0.892 -6.495 0.559) 6.579 6.427 ( -9.513 -4.233 3.056) 10.852 6.538 ( -1.065 -4.256 6.132) 7.540 6.740 ( -2.478 -1.478 1.435) 3.223 6.806 ( -1.278 -2.040 3.698) 4.413 6.886 ( 3.945 2.661 -1.598) 5.020 6.961 ( 6.781 5.763 1.236) 8.984 7.093 ( 1.403 -0.010 -0.597) 1.525 7.684 ( 6.433 4.369 -2.008) 8.032 7.831 ( -3.348 1.018 -4.936) 6.050 8.179 ( 2.801 -2.029 -6.279) 7.168 8.467 ( -1.698 -4.064 2.495) 5.062 8.552 ( 0.044 -1.804 1.136) 2.133 8.568 ( 3.088 0.471 2.906) 4.267 8.721 ( -0.196 -1.288 0.250) 1.327 8.907 ( 3.910 1.598 -2.851) 5.096 9.116 ( -2.400 2.023 0.011) 3.139 9.162 ( 3.373 -0.334 0.754) 3.472 9.691 ( -2.720 -1.804 -0.607) 3.320 9.771 ( -2.663 2.107 1.935) 3.909 9.928 ( 3.104 2.246 12.100) 12.692 10.453 ( 1.780 -3.589 -5.733) 6.994 10.619 ( 2.380 3.189 -0.339) 3.994 10.827 ( 3.191 0.798 0.723) 3.368 10.931 ( 5.689 6.992 3.382) 9.627 11.195 ( -6.100 -9.040 -7.780) 13.396 11.297 ( 3.738 -1.139 3.361) 5.155 11.386 ( -6.077 -1.907 -3.825) 7.430 11.543 ( -9.316 -3.366 -10.905) 14.732 11.764 ( -1.796 -1.074 -10.570) 10.775 11.817 ( -0.516 -3.483 -2.831) 4.518 12.226 ( 3.764 -3.401 8.871) 10.219 12.439 ( 1.579 -1.656 -4.156) 4.744 12.473 ( 4.962 -8.560 5.922) 11.531 12.856 ( 0.274 5.838 -2.962) 6.552 12.996 ( -6.027 -9.791 0.593) 11.512 13.423 ( 2.918 -3.597 2.836) 5.431 13.656 ( -2.643 -1.234 -1.024) 3.091 13.862 ( 0.758 6.500 -10.458) 12.337 13.989 ( 4.301 -4.866 3.659) 7.454 14.252 ( -3.603 -1.001 8.249) 9.057 14.815 ( -4.666 -3.337 -5.947) 8.263 14.993 ( 2.496 25.562 3.115) 25.872 15.354 ( 1.963 12.498 -11.836) 17.325 15.744 ( -5.456 -3.599 0.858) 6.592 16.005 ( -2.550 -5.229 0.805) 5.874 16.318 ( 2.070 5.195 -0.646) 5.629 17.035 ( -1.579 0.515 -5.594) 5.835 19.599 ( -0.339 -1.239 3.263) 3.507 19.859 ( 1.357 -4.245 3.353) 5.577 20.023 ( -0.232 5.111 2.779) 5.823 20.463 ( 7.022 -7.146 23.878) 25.895 21.219 ( -11.417 -15.526 -3.624) 19.610 21.496 ( -2.026 -11.633 8.718) 14.678 21.621 ( -2.203 0.871 6.043) 6.491 21.748 ( -2.069 -0.505 6.185) 6.542 22.583 ( 0.386 -0.556 0.721) 0.988 22.889 ( -1.852 -15.079 -5.382) 16.118 23.379 ( 2.715 15.000 -0.673) 15.258 23.438 ( 1.000 5.318 -0.063) 5.412 24.072 ( 5.736 7.719 -3.386) 10.196 24.327 ( -1.010 0.046 -4.067) 4.191 24.694 ( 0.702 9.683 -7.000) 11.969 24.785 ( 2.032 9.752 -2.995) 10.402 ======================= Grid point 60 (28/104) ======================= q-point: (-0.17 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( -9.715 15.734 11.508) 21.780 0.953 ( -11.158 18.186 20.520) 29.603 1.714 ( -20.917 42.511 14.888) 49.662 2.113 ( -0.402 5.228 3.379) 6.238 2.247 ( 0.468 8.686 12.439) 15.179 2.438 ( 5.640 1.842 2.258) 6.349 2.605 ( 3.555 0.364 5.683) 6.713 2.681 ( -0.530 3.415 3.625) 5.008 2.778 ( 5.076 7.352 2.019) 9.159 2.809 ( 4.203 3.496 2.511) 6.016 3.110 ( -5.278 3.124 5.557) 8.277 3.197 ( 3.081 -1.866 -0.501) 3.636 3.399 ( 3.778 4.325 -1.164) 5.860 3.511 ( 3.079 -2.439 -3.137) 5.027 3.576 ( -0.376 -0.685 -3.025) 3.124 3.676 ( 5.530 2.895 -0.084) 6.242 3.863 ( 5.811 -2.780 4.834) 8.053 4.005 ( 3.322 0.510 2.120) 3.974 4.041 ( 0.592 -2.522 -0.547) 2.647 4.298 ( -1.627 -0.929 4.603) 4.970 4.359 ( -1.672 8.419 -9.004) 12.439 4.504 ( -1.784 -1.204 -1.318) 2.523 4.733 ( 0.772 -3.244 3.798) 5.054 4.883 ( -0.434 4.387 1.993) 4.838 5.003 ( 1.893 -5.777 8.296) 10.285 5.070 ( -6.786 0.019 -4.185) 7.972 5.109 ( 1.264 -1.753 -1.455) 2.605 5.352 ( 8.115 -1.974 -4.742) 9.604 5.416 ( -3.271 -1.258 0.295) 3.517 5.558 ( 1.046 -0.757 -0.800) 1.519 5.880 ( -1.010 -4.983 -0.279) 5.091 5.993 ( -3.576 6.148 -0.401) 7.124 6.236 ( -8.509 -4.001 0.835) 9.439 6.420 ( 0.878 -5.817 3.218) 6.705 6.535 ( -0.797 -3.390 5.712) 6.690 6.640 ( -6.978 -1.939 3.318) 7.966 6.794 ( -0.074 -2.288 1.460) 2.715 6.977 ( 4.349 3.194 -5.779) 7.906 7.091 ( -0.896 1.644 -5.439) 5.752 7.113 ( 9.707 6.469 2.584) 11.948 7.747 ( -3.866 3.191 -2.376) 5.548 7.811 ( 6.993 1.661 -2.397) 7.576 8.220 ( 3.333 -1.415 -6.359) 7.318 8.398 ( -6.350 1.851 -2.733) 7.157 8.508 ( -2.062 -5.032 1.746) 5.711 8.637 ( 1.758 -2.245 6.084) 6.719 8.807 ( 5.694 -4.178 2.917) 7.641 8.908 ( -2.732 -0.208 -4.719) 5.456 9.068 ( -1.506 2.088 2.350) 3.486 9.243 ( 4.004 -0.130 0.785) 4.082 9.633 ( -3.069 -1.302 -1.232) 3.554 9.779 ( 3.780 0.398 -1.832) 4.219 10.024 ( 0.595 -10.051 20.880) 23.181 10.519 ( 6.562 -0.928 -5.703) 8.744 10.734 ( 10.601 2.869 5.405) 12.240 10.880 ( 1.946 2.545 0.692) 3.278 11.002 ( -10.669 -4.295 -3.485) 12.017 11.031 ( 2.405 2.791 4.238) 5.616 11.302 ( -5.209 -4.712 -8.748) 11.219 11.365 ( -0.494 -3.055 -9.460) 9.953 11.415 ( 7.426 0.429 5.508) 9.256 11.741 ( 1.633 -3.457 -10.026) 10.730 11.761 ( -5.481 -5.108 -1.835) 7.714 12.310 ( 2.203 -4.310 9.930) 11.047 12.424 ( -0.088 4.400 -3.086) 5.375 12.582 ( 2.502 -3.305 0.898) 4.242 12.800 ( -6.249 -6.522 -2.587) 9.396 12.882 ( -4.383 1.676 -2.542) 5.337 13.475 ( 2.246 -6.301 1.652) 6.890 13.586 ( -4.048 -1.646 -3.105) 5.361 13.829 ( -1.155 9.933 -11.324) 15.107 14.069 ( 2.558 -3.072 0.753) 4.068 14.233 ( -1.018 -6.216 5.082) 8.093 14.653 ( -9.620 0.409 -0.580) 9.647 15.009 ( -1.709 19.586 -2.025) 19.764 15.427 ( 8.667 18.277 -17.556) 26.784 15.660 ( -1.838 -2.744 3.312) 4.677 15.958 ( -2.825 -1.000 6.020) 6.724 16.355 ( 1.927 5.970 -1.648) 6.487 16.991 ( -1.479 -2.081 -4.494) 5.168 19.611 ( 0.658 -1.351 2.917) 3.281 19.887 ( 0.554 -4.380 4.278) 6.147 20.022 ( -0.754 5.082 3.331) 6.123 20.615 ( -6.673 -28.924 25.027) 38.826 20.979 ( -5.393 -1.288 5.519) 7.823 21.479 ( -1.970 -10.899 7.031) 13.119 21.608 ( -1.254 0.359 8.514) 8.614 21.727 ( -1.643 2.108 5.064) 5.726 22.589 ( 0.061 -3.761 0.328) 3.776 22.847 ( -1.170 -8.544 -3.898) 9.464 23.409 ( 0.605 6.652 -0.519) 6.700 23.471 ( 2.546 10.264 -2.746) 10.926 24.219 ( 9.944 10.826 -13.825) 20.180 24.301 ( 0.672 -2.140 -0.556) 2.310 24.692 ( 1.325 11.886 -8.529) 14.689 24.842 ( 5.452 11.179 -3.457) 12.910 ======================= Grid point 61 (29/104) ======================= q-point: ( 0.00 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 6.177 24.539 6.928) 26.236 1.311 ( -6.735 25.040 9.469) 27.605 2.179 ( 1.180 -0.170 -0.550) 1.313 2.371 ( -2.045 5.194 9.148) 10.717 2.392 ( -3.381 21.631 10.611) 24.329 2.511 ( 0.192 -2.375 5.697) 6.175 2.727 ( -0.778 5.674 4.344) 7.189 2.817 ( -1.356 17.957 4.607) 18.588 2.972 ( -2.053 0.298 -2.216) 3.036 3.003 ( 1.321 8.051 -1.773) 8.349 3.114 ( 0.149 3.407 0.921) 3.533 3.196 ( -3.320 6.747 -1.500) 7.668 3.357 ( 2.851 -3.740 0.114) 4.704 3.487 ( 1.080 1.393 0.881) 1.971 3.646 ( 0.324 -2.307 2.755) 3.608 3.716 ( 0.784 -4.026 3.994) 5.725 3.898 ( -2.539 -5.926 -0.646) 6.479 4.050 ( 0.469 6.851 1.190) 6.969 4.124 ( -2.610 4.732 -4.341) 6.932 4.256 ( -3.531 5.972 -1.864) 7.184 4.403 ( -2.886 -0.807 3.220) 4.399 4.648 ( 4.117 6.246 -2.009) 7.746 4.689 ( 3.959 -3.937 7.513) 9.360 4.813 ( 2.909 -3.971 6.256) 7.960 4.928 ( 1.633 0.004 -0.642) 1.755 4.947 ( 1.611 -1.298 6.924) 7.226 5.251 ( -0.802 4.541 -5.638) 7.283 5.362 ( 0.032 -1.249 2.262) 2.585 5.516 ( -2.587 2.503 -2.337) 4.292 5.564 ( 3.499 3.848 -0.687) 5.246 5.699 ( -1.070 -8.261 0.512) 8.345 6.021 ( -2.089 -4.452 -3.652) 6.125 6.231 ( 1.738 11.224 0.715) 11.380 6.318 ( 0.740 -4.414 -0.171) 4.479 6.454 ( -0.934 -4.663 5.206) 7.051 6.545 ( -2.347 0.914 1.939) 3.179 6.711 ( -0.083 -5.965 5.230) 7.934 6.902 ( -1.141 -6.774 0.393) 6.880 7.102 ( -3.740 -0.798 -6.730) 7.741 7.262 ( 5.092 -6.985 -5.478) 10.234 7.813 ( -0.104 5.245 -0.859) 5.316 7.899 ( 0.273 2.845 -3.198) 4.289 8.263 ( -2.317 1.090 1.875) 3.174 8.293 ( -0.891 -1.155 1.669) 2.217 8.430 ( 0.243 0.427 -4.990) 5.014 8.600 ( -1.121 -1.275 1.595) 2.329 8.686 ( -4.803 -4.540 1.078) 6.696 8.807 ( 2.240 -5.953 -0.837) 6.415 9.119 ( 1.478 1.245 3.851) 4.309 9.294 ( -0.571 -1.094 0.734) 1.436 9.621 ( -0.385 4.267 -5.706) 7.135 9.867 ( 3.713 0.143 -1.527) 4.017 9.969 ( -1.251 6.246 7.787) 10.061 10.597 ( 4.169 -2.283 -3.239) 5.752 10.778 ( -4.005 -1.300 -1.882) 4.613 10.795 ( -1.356 -2.883 -2.125) 3.830 10.903 ( -4.949 0.386 -3.671) 6.173 11.038 ( -0.695 -2.679 -3.975) 4.844 11.176 ( 5.850 -1.323 -0.400) 6.011 11.369 ( 7.831 -0.674 -1.288) 7.965 11.448 ( -4.773 -8.365 -1.035) 9.686 11.616 ( 7.877 -4.536 -3.145) 9.619 11.756 ( 1.082 2.460 5.363) 5.999 12.154 ( -6.159 -7.364 4.865) 10.763 12.526 ( -8.020 1.740 -0.120) 8.207 12.607 ( 9.910 1.813 3.401) 10.633 12.739 ( -0.687 1.575 -3.541) 3.936 12.821 ( 0.359 -4.097 -3.388) 5.328 13.383 ( -0.584 -3.907 0.111) 3.952 13.402 ( -0.827 -4.288 0.171) 4.370 13.833 ( -1.883 -1.218 -5.108) 5.578 13.929 ( -5.762 -1.415 -6.736) 8.976 14.384 ( 7.716 6.106 5.721) 11.382 14.670 ( -0.913 1.568 3.184) 3.665 15.294 ( 0.515 14.772 -7.600) 16.620 15.628 ( 1.557 6.064 -9.412) 11.304 15.720 ( -0.174 -0.441 6.259) 6.277 15.937 ( -1.016 -2.894 4.049) 5.079 16.508 ( 0.466 6.032 -3.755) 7.121 16.902 ( 2.837 -5.476 -2.923) 6.825 19.607 ( 0.403 -0.887 4.236) 4.347 19.750 ( -2.188 -5.706 7.947) 10.024 20.155 ( -0.279 8.018 1.039) 8.090 20.302 ( -4.421 3.801 9.890) 11.480 20.972 ( 2.291 -5.232 11.648) 12.973 21.228 ( -1.421 -11.405 4.079) 12.196 21.633 ( -0.450 1.257 8.398) 8.504 21.745 ( -1.272 -0.078 5.136) 5.292 22.473 ( -0.392 -3.501 0.038) 3.523 22.692 ( 0.076 -7.429 0.003) 7.430 23.511 ( -0.457 5.100 -0.356) 5.133 23.621 ( 0.132 3.612 -0.617) 3.666 24.207 ( -2.210 -0.418 -5.886) 6.301 24.339 ( 3.354 -5.069 -2.382) 6.529 24.958 ( 1.373 10.137 -6.918) 12.349 25.110 ( 1.084 6.573 -10.581) 12.503 ======================= Grid point 62 (30/104) ======================= q-point: ( 0.17 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -2.156 22.636 9.156) 24.513 1.398 ( 4.514 19.912 12.927) 24.165 2.184 ( -1.459 4.092 4.645) 6.360 2.318 ( -2.556 5.634 1.121) 6.287 2.346 ( -10.311 0.685 4.532) 11.284 2.530 ( 0.577 -2.554 5.632) 6.211 2.695 ( -2.914 6.221 5.202) 8.617 2.830 ( -1.744 12.691 -0.475) 12.819 2.910 ( -0.987 6.621 5.470) 8.645 3.011 ( -0.083 8.188 1.386) 8.305 3.066 ( -0.651 7.928 -1.620) 8.118 3.222 ( 1.989 13.356 -1.295) 13.566 3.399 ( 2.140 -3.296 0.119) 3.931 3.511 ( 1.697 -2.900 2.035) 3.928 3.638 ( -1.274 0.523 4.077) 4.303 3.728 ( -1.763 -7.755 -0.123) 7.954 3.833 ( -3.424 -6.134 -1.991) 7.302 3.921 ( -8.665 14.049 -2.834) 16.748 4.081 ( -3.029 5.335 4.009) 7.329 4.158 ( -4.564 2.437 2.386) 5.698 4.469 ( 6.308 4.384 -3.198) 8.321 4.635 ( -3.970 -0.293 2.394) 4.645 4.741 ( -1.361 -5.052 5.220) 7.390 4.906 ( -1.595 4.412 2.625) 5.376 4.941 ( 6.860 6.324 2.511) 9.662 5.112 ( 8.396 -1.891 6.747) 10.936 5.210 ( -1.345 2.363 -5.009) 5.699 5.309 ( -5.311 -3.114 1.053) 6.246 5.504 ( 3.428 -0.107 -0.361) 3.449 5.604 ( 1.124 4.505 -1.879) 5.009 5.689 ( -0.500 -7.714 0.566) 7.751 6.006 ( 1.689 -6.375 -3.865) 7.644 6.269 ( 1.413 9.295 1.971) 9.607 6.334 ( 1.407 -5.733 -0.314) 5.911 6.444 ( -1.428 -5.252 4.808) 7.262 6.569 ( 4.328 2.407 0.131) 4.954 6.724 ( -1.156 -7.410 4.858) 8.936 6.860 ( -2.748 -5.034 -0.941) 5.812 6.998 ( -4.944 -1.086 -3.035) 5.902 7.273 ( -2.359 -7.345 -3.544) 8.489 7.827 ( 1.653 4.186 -1.996) 4.923 7.859 ( -3.274 2.537 -3.815) 5.631 8.150 ( -5.862 1.382 3.143) 6.794 8.347 ( 1.518 -2.341 -2.946) 4.058 8.452 ( 3.592 1.584 -3.121) 5.015 8.584 ( -3.178 -2.151 -0.043) 3.838 8.600 ( 0.290 0.784 0.915) 1.239 8.855 ( 2.077 -6.622 -2.231) 7.289 9.154 ( 0.855 1.649 4.841) 5.185 9.242 ( -4.314 0.824 -0.166) 4.395 9.639 ( 3.040 1.448 -4.555) 5.665 9.918 ( 2.182 -2.616 0.314) 3.421 9.985 ( 0.629 10.061 6.373) 11.926 10.563 ( -5.318 -2.871 -0.314) 6.051 10.709 ( -3.240 0.168 -1.673) 3.650 10.820 ( -2.029 -1.220 -5.247) 5.756 10.827 ( 4.483 1.684 -6.290) 7.906 11.022 ( 0.671 -1.362 -4.410) 4.664 11.261 ( 2.024 1.052 -2.518) 3.398 11.380 ( -0.391 -4.881 -0.123) 4.898 11.573 ( 11.922 -4.107 6.299) 14.096 11.716 ( 2.726 -6.073 -2.883) 7.254 11.807 ( 3.904 0.882 5.906) 7.134 12.032 ( -6.380 -7.920 0.772) 10.199 12.337 ( -12.480 -1.326 -3.288) 12.974 12.584 ( -9.494 -3.593 1.958) 10.338 12.801 ( 9.191 1.381 1.862) 9.479 12.921 ( 5.063 0.930 -3.965) 6.497 13.351 ( -0.941 -1.161 0.208) 1.508 13.477 ( 6.440 -5.332 -0.461) 8.374 13.788 ( -1.077 -2.320 -4.737) 5.383 13.822 ( -3.616 -1.262 -5.188) 6.449 14.534 ( 3.990 5.158 7.124) 9.658 14.679 ( 2.797 0.114 -0.792) 2.909 15.304 ( 2.253 17.825 -7.444) 19.448 15.642 ( 1.999 8.593 -7.964) 11.885 15.725 ( -0.145 -2.014 9.166) 9.386 15.911 ( -2.710 -7.497 1.491) 8.110 16.492 ( -1.116 6.722 -3.171) 7.516 16.981 ( 5.599 -5.972 -3.832) 9.038 19.621 ( -0.209 -1.420 4.770) 4.982 19.719 ( -2.869 -3.587 7.184) 8.526 20.155 ( 0.172 8.313 0.101) 8.315 20.274 ( -1.280 6.403 9.183) 11.268 21.055 ( 2.622 -10.958 12.855) 17.094 21.212 ( -1.170 -11.447 3.232) 11.952 21.653 ( 0.288 0.458 8.680) 8.697 21.734 ( -1.233 -0.237 4.506) 4.677 22.473 ( 0.463 -3.765 -0.132) 3.796 22.675 ( -1.812 -8.306 -0.157) 8.503 23.505 ( 0.013 5.071 -0.422) 5.089 23.615 ( -0.522 4.117 -0.884) 4.243 24.151 ( -2.119 1.656 -5.061) 5.731 24.366 ( 0.389 -5.430 -2.178) 5.863 24.961 ( 0.803 10.214 -6.614) 12.195 25.061 ( -2.899 8.280 -8.750) 12.390 ======================= Grid point 63 (31/104) ======================= q-point: ( 0.33 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 9.988 11.894 11.278) 19.194 1.511 ( 4.422 16.114 15.039) 22.481 2.031 ( -21.451 -1.895 3.422) 21.804 2.167 ( -2.534 7.849 9.268) 12.407 2.318 ( 2.814 1.947 -5.123) 6.161 2.567 ( 2.187 -0.349 3.579) 4.209 2.645 ( -4.267 0.977 3.742) 5.759 2.753 ( -4.562 5.647 -0.242) 7.264 2.789 ( -9.560 -3.390 4.291) 11.013 3.043 ( 1.393 10.720 -1.306) 10.889 3.180 ( 7.021 19.126 6.121) 21.273 3.241 ( 1.467 11.363 -2.010) 11.633 3.464 ( 4.258 -1.085 -4.851) 6.545 3.552 ( -0.111 -2.162 1.669) 2.734 3.625 ( 2.588 2.520 4.245) 5.574 3.689 ( -1.921 -2.921 -1.764) 3.916 3.759 ( -3.092 -6.421 2.450) 7.536 3.828 ( -1.848 11.570 1.468) 11.808 4.007 ( -5.930 10.302 2.762) 12.204 4.092 ( -4.346 5.402 3.914) 7.961 4.521 ( -0.205 2.583 -8.529) 8.914 4.559 ( -4.671 -0.643 5.314) 7.104 4.746 ( 2.301 -3.982 3.728) 5.920 4.879 ( -0.566 8.857 1.097) 8.943 5.029 ( 0.666 -0.059 5.036) 5.080 5.109 ( -3.400 5.999 0.025) 6.896 5.227 ( -1.988 -2.486 -3.584) 4.794 5.313 ( 6.108 -0.194 3.360) 6.974 5.538 ( -2.642 4.223 1.139) 5.110 5.611 ( 1.554 1.458 -6.858) 7.181 5.692 ( 0.395 -9.197 3.602) 9.885 6.066 ( 5.309 -8.723 -2.395) 10.489 6.278 ( -0.782 3.191 0.362) 3.306 6.375 ( 2.118 -6.631 2.351) 7.347 6.443 ( 0.369 -5.472 6.157) 8.245 6.634 ( -1.900 -4.689 -0.494) 5.084 6.704 ( 3.490 1.891 0.909) 4.072 6.840 ( 0.720 -2.659 0.439) 2.789 6.931 ( -2.003 -4.198 -0.003) 4.651 7.184 ( -6.404 -4.301 0.876) 7.763 7.775 ( -3.837 5.286 -2.594) 7.028 7.856 ( 1.824 1.306 -4.229) 4.787 8.084 ( -1.905 -0.689 1.503) 2.522 8.350 ( 1.007 -5.285 -3.855) 6.619 8.506 ( -0.240 0.569 2.887) 2.953 8.542 ( 1.209 3.347 -2.841) 4.554 8.672 ( 6.045 0.326 -2.392) 6.509 8.860 ( -0.663 -5.481 -3.930) 6.777 9.150 ( -2.798 1.522 1.689) 3.605 9.184 ( -1.239 0.665 3.752) 4.007 9.683 ( 2.558 0.834 -3.574) 4.474 9.945 ( -0.229 -1.827 3.183) 3.677 10.013 ( 1.291 10.660 2.374) 10.997 10.459 ( -5.551 -2.365 -1.181) 6.148 10.661 ( -1.514 1.545 -1.398) 2.576 10.768 ( -1.416 0.843 -3.434) 3.809 10.901 ( 4.461 -2.309 -7.416) 8.957 11.049 ( 3.460 2.088 -4.615) 6.134 11.273 ( 0.695 0.761 -0.048) 1.032 11.403 ( 1.745 -1.752 -2.376) 3.429 11.698 ( -2.444 -4.744 -0.302) 5.345 11.787 ( 7.286 -4.241 3.421) 9.098 11.915 ( 3.491 -3.217 1.632) 5.020 11.956 ( -0.438 -9.144 0.106) 9.155 12.098 ( -9.488 -3.937 -3.675) 10.910 12.423 ( -9.057 -6.825 4.929) 12.366 12.929 ( 4.351 1.878 -0.056) 4.740 12.971 ( 2.102 3.011 -3.200) 4.871 13.350 ( 0.427 0.763 0.540) 1.027 13.587 ( 4.761 -4.079 -0.943) 6.340 13.776 ( 0.749 -2.160 -2.113) 3.114 13.786 ( 0.684 -4.403 -2.131) 4.939 14.530 ( -4.038 6.876 5.074) 9.452 14.770 ( 5.325 -1.879 -2.768) 6.289 15.332 ( 2.705 17.750 -5.064) 18.656 15.641 ( -0.827 8.735 -7.230) 11.369 15.774 ( 2.651 -1.036 8.431) 8.899 15.860 ( -2.567 -8.286 0.363) 8.682 16.459 ( -1.496 8.132 -2.110) 8.533 17.052 ( 2.878 -5.114 -5.272) 7.888 19.615 ( -1.912 -1.033 5.601) 6.008 19.700 ( -0.723 -3.666 5.566) 6.704 20.159 ( 0.214 8.115 -0.307) 8.124 20.295 ( 0.800 5.221 9.114) 10.534 21.102 ( -1.097 -12.734 9.580) 15.973 21.212 ( 0.141 -12.011 5.433) 13.183 21.678 ( -0.369 -0.085 7.837) 7.846 21.726 ( -0.634 -0.439 4.559) 4.624 22.493 ( 1.879 -4.458 0.045) 4.838 22.630 ( -2.886 -9.592 -0.585) 10.034 23.510 ( 0.518 4.962 -0.103) 4.990 23.601 ( -0.692 5.440 -0.858) 5.551 24.113 ( -0.720 3.150 -3.506) 4.768 24.352 ( -1.050 -4.535 -2.331) 5.206 24.955 ( 0.318 10.830 -7.001) 12.900 24.994 ( -1.577 9.500 -6.065) 11.380 ======================= Grid point 64 (32/104) ======================= q-point: (-0.50 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -7.078 11.285 8.521) 15.813 1.639 ( -16.346 9.780 10.073) 21.547 1.748 ( 15.135 0.618 9.341) 17.796 2.184 ( 1.667 8.620 11.089) 14.144 2.400 ( 6.686 -0.134 -3.155) 7.394 2.514 ( -7.948 -0.379 -1.797) 8.158 2.605 ( 1.028 5.810 3.373) 6.797 2.694 ( -1.641 0.217 3.537) 3.905 2.771 ( 4.962 0.845 7.981) 9.436 3.050 ( -0.387 11.490 -1.845) 11.644 3.217 ( -1.278 13.622 -0.801) 13.706 3.323 ( 4.646 7.139 2.521) 8.883 3.445 ( -2.019 -2.527 -4.318) 5.395 3.535 ( -1.016 -2.815 0.973) 3.147 3.590 ( -4.210 -2.718 -3.372) 6.039 3.680 ( -2.436 -0.132 -2.148) 3.250 3.768 ( -5.115 14.512 4.041) 15.909 3.908 ( -1.642 6.220 2.286) 6.827 3.940 ( 13.427 12.020 8.106) 19.760 4.029 ( -2.656 3.302 4.508) 6.187 4.478 ( -2.660 -1.562 0.647) 3.151 4.503 ( -0.406 0.444 -5.610) 5.642 4.788 ( 0.842 -4.883 4.578) 6.747 4.936 ( 1.151 2.983 1.938) 3.739 4.974 ( -0.700 2.824 1.977) 3.517 5.131 ( 2.951 5.986 1.832) 6.920 5.163 ( -3.763 0.783 -1.453) 4.109 5.372 ( -2.125 2.000 -2.539) 3.868 5.459 ( -2.709 2.949 -0.669) 4.060 5.604 ( -1.298 0.653 -4.587) 4.812 5.710 ( 0.615 -8.386 2.499) 8.772 6.130 ( 0.821 -7.392 -1.933) 7.684 6.259 ( -0.068 -1.104 -0.206) 1.125 6.416 ( 1.373 -5.745 3.654) 6.946 6.445 ( -3.749 -5.069 6.123) 8.789 6.617 ( 2.594 -7.293 2.170) 8.039 6.764 ( 0.512 1.126 0.737) 1.440 6.886 ( 3.909 -1.729 1.072) 4.407 6.942 ( 3.099 -1.370 -1.600) 3.747 7.062 ( -6.418 -3.094 3.345) 7.871 7.739 ( 0.978 6.248 -1.759) 6.564 7.870 ( 0.921 0.412 -4.561) 4.672 8.082 ( 1.080 -2.277 0.654) 2.604 8.383 ( 3.206 -6.951 -0.724) 7.689 8.471 ( -2.357 1.009 1.923) 3.205 8.586 ( 2.357 4.641 -2.220) 5.659 8.734 ( -0.717 -2.323 -6.525) 6.963 8.849 ( 2.475 -2.234 -1.115) 3.516 9.125 ( 0.336 0.531 0.866) 1.070 9.171 ( -1.999 -0.336 5.402) 5.770 9.708 ( 1.119 1.800 -3.780) 4.333 9.915 ( -3.906 2.108 4.226) 6.128 10.040 ( 0.788 8.782 0.175) 8.819 10.369 ( -2.799 -3.164 -3.624) 5.566 10.645 ( 0.259 1.966 -1.672) 2.594 10.769 ( 2.269 0.422 -0.880) 2.471 10.950 ( 3.016 -4.447 -6.991) 8.817 11.116 ( 4.597 4.320 -4.740) 7.891 11.270 ( -2.203 0.879 3.207) 3.989 11.402 ( -0.877 -2.960 -5.798) 6.569 11.608 ( -6.904 -4.440 -3.593) 8.961 11.803 ( -4.977 -3.465 -3.295) 6.902 11.839 ( -4.408 -3.564 -6.605) 8.704 12.019 ( 5.142 -6.769 6.445) 10.668 12.144 ( 8.463 -6.856 1.888) 11.054 12.313 ( -3.282 -8.591 7.471) 11.849 12.965 ( -0.291 2.494 -1.023) 2.711 12.989 ( 0.711 3.690 -2.520) 4.525 13.362 ( 0.509 0.718 0.949) 1.294 13.629 ( 0.249 -3.659 -1.269) 3.881 13.801 ( 1.826 -4.726 -1.470) 5.275 13.828 ( 3.991 -2.571 2.406) 5.323 14.455 ( -4.830 8.221 1.887) 9.720 14.818 ( 0.446 -2.374 -2.609) 3.555 15.388 ( 4.650 15.999 -2.398) 16.832 15.566 ( -4.770 4.935 -6.953) 9.770 15.793 ( -2.252 0.382 -3.198) 3.930 15.873 ( 2.769 -3.528 8.583) 9.684 16.441 ( 0.308 8.799 -1.581) 8.946 17.055 ( -0.882 -4.375 -6.208) 7.646 19.592 ( -1.830 -0.435 5.178) 5.509 19.714 ( 0.404 -5.099 5.552) 7.549 20.161 ( -0.005 7.768 0.191) 7.770 20.338 ( 1.067 2.577 9.584) 9.982 21.071 ( -4.098 -10.807 6.044) 13.043 21.234 ( 0.007 -12.454 7.549) 14.564 21.667 ( -2.261 0.481 5.733) 6.181 21.741 ( 0.320 -0.612 6.192) 6.231 22.533 ( 1.129 -3.204 1.554) 3.735 22.583 ( -0.711 -11.702 -1.993) 11.891 23.521 ( 0.523 4.689 0.392) 4.734 23.592 ( 0.107 6.319 -0.652) 6.353 24.112 ( 1.565 3.357 -2.555) 4.499 24.323 ( -1.246 -3.557 -3.087) 4.872 24.937 ( 0.181 11.077 -7.304) 13.270 24.983 ( 1.510 9.615 -5.223) 11.046 ======================= Grid point 65 (33/104) ======================= q-point: (-0.33 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -11.823 15.292 3.429) 19.631 1.482 ( -7.433 19.497 15.443) 25.959 2.048 ( 11.379 -2.979 6.703) 13.538 2.271 ( 4.726 5.146 6.909) 9.826 2.405 ( -2.707 3.469 2.507) 5.065 2.498 ( 2.645 -0.025 4.375) 5.112 2.667 ( 1.721 5.790 0.281) 6.047 2.723 ( 7.105 3.808 6.029) 10.067 2.914 ( 6.268 2.863 3.069) 7.543 3.017 ( -3.822 13.944 -0.963) 14.490 3.158 ( -4.062 20.939 0.797) 21.345 3.339 ( -2.985 4.950 2.550) 6.318 3.410 ( -3.901 -3.033 -2.507) 5.541 3.471 ( -3.868 -1.116 -1.760) 4.394 3.560 ( 0.490 0.225 0.815) 0.977 3.659 ( 6.566 -3.142 1.979) 7.543 3.726 ( 1.021 9.860 -2.337) 10.184 3.939 ( 1.199 -1.785 6.452) 6.801 4.015 ( 1.727 6.230 0.988) 6.539 4.186 ( 8.657 5.585 6.087) 11.966 4.454 ( -0.170 -3.226 1.219) 3.453 4.501 ( 1.992 2.198 -8.875) 9.358 4.805 ( -1.546 -2.991 6.858) 7.640 4.837 ( -6.357 -2.506 2.873) 7.413 5.055 ( -5.009 -0.582 -1.340) 5.217 5.090 ( 4.018 -0.888 -1.919) 4.540 5.213 ( 1.223 13.970 3.367) 14.422 5.262 ( -2.327 0.204 -1.806) 2.952 5.446 ( -0.672 0.323 -2.768) 2.867 5.552 ( -1.720 0.963 -2.868) 3.480 5.729 ( 0.787 -6.979 1.188) 7.123 6.113 ( -0.970 -3.423 -1.667) 3.929 6.268 ( -0.346 -1.999 0.531) 2.097 6.351 ( -5.646 -1.892 2.734) 6.552 6.442 ( 0.125 -4.837 4.372) 6.521 6.689 ( 1.442 -5.158 3.323) 6.303 6.748 ( -1.890 -1.718 1.779) 3.113 6.898 ( -3.599 -1.511 1.782) 4.290 6.992 ( 5.998 -3.698 2.800) 7.582 7.076 ( 5.234 -1.693 -3.868) 6.725 7.792 ( 4.560 5.471 -1.678) 7.317 7.865 ( -0.507 2.017 -3.223) 3.836 8.117 ( 2.582 -2.042 0.356) 3.311 8.445 ( 0.364 0.455 -0.809) 0.997 8.453 ( 2.267 -6.541 3.093) 7.582 8.607 ( 0.615 2.829 -1.334) 3.188 8.650 ( -4.607 -3.147 -2.637) 6.171 8.905 ( 2.027 -2.278 -2.676) 4.057 9.122 ( -3.154 -0.966 4.685) 5.730 9.180 ( 3.530 -0.083 1.675) 3.908 9.709 ( 0.510 4.180 -5.907) 7.254 9.838 ( -4.633 3.170 1.892) 5.924 10.031 ( -2.340 6.585 4.436) 8.278 10.369 ( 4.382 -3.567 -6.335) 8.488 10.672 ( 3.313 2.127 -0.182) 3.942 10.842 ( 5.276 0.371 0.224) 5.294 10.961 ( -0.861 -8.109 -5.700) 9.949 11.138 ( -2.245 8.594 -1.485) 9.005 11.259 ( 2.534 -3.467 -1.067) 4.425 11.344 ( -3.707 -1.074 -3.614) 5.288 11.441 ( -8.977 -5.506 -7.600) 12.987 11.696 ( -4.028 -4.830 -4.808) 7.916 11.772 ( -2.877 -1.214 -4.320) 5.330 12.109 ( 3.155 -7.563 8.917) 12.110 12.315 ( 7.736 -5.879 5.594) 11.212 12.360 ( 7.109 -5.182 0.816) 8.835 12.898 ( -6.444 1.619 -1.305) 6.771 12.989 ( -0.514 4.066 -2.601) 4.854 13.370 ( 0.114 -0.845 1.249) 1.512 13.591 ( -4.067 -5.079 -1.256) 6.627 13.833 ( 2.004 -3.675 -1.109) 4.330 13.926 ( 5.336 -2.066 3.728) 6.829 14.370 ( -4.470 8.600 -0.791) 9.724 14.778 ( -3.925 -1.896 -1.190) 4.519 15.424 ( -3.696 11.594 -6.810) 13.945 15.519 ( 5.530 5.407 -2.690) 8.189 15.727 ( -3.454 2.902 -3.610) 5.778 15.931 ( 0.825 -1.120 7.920) 8.042 16.461 ( 2.158 7.982 -2.343) 8.594 16.995 ( -3.591 -4.692 -6.250) 8.601 19.581 ( -0.641 -0.327 4.458) 4.515 19.737 ( 0.319 -6.116 6.432) 8.881 20.160 ( -0.236 7.492 1.117) 7.579 20.372 ( -0.445 -0.786 10.358) 10.398 20.997 ( -5.118 -6.491 5.816) 10.107 21.244 ( -0.800 -12.043 6.858) 13.882 21.641 ( -2.056 1.209 6.197) 6.640 21.756 ( -0.521 -0.242 6.146) 6.172 22.512 ( -1.994 -4.971 0.790) 5.414 22.621 ( 3.401 -8.747 -0.922) 9.430 23.526 ( -0.123 4.770 0.627) 4.812 23.601 ( 0.909 5.456 -0.681) 5.573 24.162 ( 4.611 1.775 -2.282) 5.442 24.292 ( -1.176 -2.803 -4.238) 5.216 24.933 ( 1.434 10.799 -7.476) 13.213 25.014 ( 3.441 9.710 -6.030) 11.937 ======================= Grid point 66 (34/104) ======================= q-point: (-0.17 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 4.100 25.228 4.304) 25.919 1.396 ( -6.133 22.571 13.728) 27.121 2.158 ( 1.407 -0.962 1.809) 2.485 2.343 ( 1.378 7.143 5.203) 8.944 2.443 ( 1.852 1.648 8.390) 8.748 2.511 ( -3.358 6.238 6.940) 9.917 2.693 ( 2.084 7.547 2.889) 8.345 2.864 ( -4.194 17.471 4.872) 18.616 2.904 ( 4.898 8.844 1.993) 10.304 2.978 ( 1.462 10.419 -1.172) 10.586 3.142 ( -1.336 5.035 0.778) 5.267 3.296 ( -1.834 6.833 -0.464) 7.090 3.318 ( -3.128 -6.973 -1.736) 7.837 3.460 ( 1.371 -0.147 0.175) 1.390 3.595 ( 2.911 -2.944 1.966) 4.583 3.719 ( -0.158 -1.358 0.077) 1.369 3.871 ( 8.426 -1.636 3.881) 9.420 3.971 ( 3.257 5.706 2.057) 6.885 4.080 ( 4.726 4.854 -0.878) 6.831 4.279 ( 0.666 -0.834 2.814) 3.009 4.473 ( -0.034 -1.312 3.432) 3.674 4.537 ( 5.323 5.129 -8.963) 11.618 4.701 ( -6.897 0.139 5.168) 8.619 4.801 ( -2.092 -10.137 6.702) 12.331 4.945 ( -4.697 -2.430 -3.566) 6.378 5.017 ( -7.577 7.632 2.828) 11.120 5.257 ( 3.541 -3.222 -4.892) 6.845 5.305 ( 2.369 7.019 2.869) 7.944 5.474 ( 5.249 2.650 0.426) 5.895 5.544 ( 0.375 2.769 -2.450) 3.717 5.729 ( -1.419 -8.051 0.839) 8.218 6.079 ( -2.664 -4.206 -2.112) 5.408 6.229 ( -2.155 8.385 0.567) 8.676 6.310 ( -0.115 -3.814 0.413) 3.838 6.452 ( -0.278 -4.458 5.045) 6.738 6.629 ( -6.400 0.464 2.328) 6.826 6.718 ( -1.956 -4.608 4.369) 6.645 6.897 ( 1.257 -7.363 0.617) 7.495 7.131 ( 5.614 -4.071 1.725) 7.146 7.139 ( 5.089 -1.193 -9.019) 10.424 7.835 ( -1.609 4.754 -1.710) 5.302 7.868 ( 3.546 3.878 -2.203) 5.698 8.183 ( 4.517 -1.031 0.732) 4.690 8.423 ( -6.238 -1.599 -1.525) 6.618 8.442 ( -0.634 0.021 -1.002) 1.186 8.606 ( 0.130 -2.182 2.138) 3.058 8.655 ( 3.979 -5.387 3.491) 7.553 8.868 ( -4.961 -3.509 -3.396) 6.961 9.094 ( -0.299 0.512 3.786) 3.832 9.257 ( 3.721 -1.378 1.080) 4.112 9.676 ( -2.832 6.080 -6.036) 9.023 9.807 ( 2.045 1.951 -1.439) 3.171 9.992 ( -3.094 4.268 7.476) 9.147 10.478 ( 8.247 -2.673 -5.465) 10.248 10.761 ( 5.048 0.278 2.421) 5.606 10.871 ( -4.066 -6.434 -3.554) 8.400 10.945 ( 2.085 1.839 -1.032) 2.965 11.080 ( -3.713 1.769 -0.195) 4.117 11.191 ( -6.157 -4.550 -6.431) 9.999 11.305 ( -0.887 -2.230 -7.156) 7.548 11.405 ( 7.566 -1.346 3.404) 8.405 11.608 ( -4.015 -7.883 -10.700) 13.884 11.735 ( -0.519 1.865 3.735) 4.207 12.180 ( 1.218 -7.765 8.576) 11.633 12.443 ( 6.706 -1.086 3.880) 7.824 12.538 ( 9.639 -2.027 -0.850) 9.886 12.745 ( -8.292 1.256 -2.539) 8.762 12.937 ( -4.953 1.622 -3.062) 6.044 13.373 ( 0.056 -2.526 0.994) 2.715 13.489 ( -6.072 -5.835 -0.697) 8.450 13.857 ( 0.641 -1.825 -2.681) 3.306 14.002 ( 0.861 -2.923 -1.183) 3.269 14.305 ( -1.110 8.326 1.068) 8.468 14.701 ( -3.547 0.464 1.725) 3.971 15.334 ( -2.867 11.110 -7.434) 13.672 15.625 ( 4.465 2.695 -11.900) 12.993 15.680 ( -0.017 5.371 6.249) 8.240 15.943 ( -1.167 -0.332 6.531) 6.643 16.494 ( 1.950 6.656 -3.393) 7.721 16.915 ( -2.804 -5.139 -4.593) 7.440 19.589 ( 0.244 -0.486 4.123) 4.159 19.754 ( -0.500 -6.557 7.421) 9.916 20.158 ( -0.381 7.551 1.577) 7.723 20.361 ( -3.872 -1.440 10.602) 11.378 20.941 ( -2.134 -2.234 8.187) 8.750 21.241 ( -1.267 -11.597 5.478) 12.888 21.628 ( -1.251 1.550 7.456) 7.718 21.754 ( -1.186 -0.011 5.701) 5.823 22.486 ( -1.068 -4.176 0.318) 4.322 22.672 ( 2.090 -7.545 -0.217) 7.832 23.521 ( -0.517 5.029 0.178) 5.058 23.615 ( 0.662 4.112 -0.604) 4.209 24.256 ( -1.253 -1.960 -3.245) 3.993 24.258 ( 5.582 -2.029 -4.521) 7.464 24.946 ( 1.871 10.406 -7.395) 12.902 25.074 ( 4.661 8.399 -8.556) 12.864 ======================= Grid point 67 (35/104) ======================= q-point: ( 0.00 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 2.407 18.240 4.459) 18.931 1.843 ( -4.208 21.929 3.256) 22.565 2.068 ( 2.506 -8.171 2.286) 8.847 2.328 ( -2.307 -16.352 3.369) 16.854 2.454 ( -3.032 2.167 6.139) 7.182 2.482 ( -2.308 -0.808 4.717) 5.313 2.859 ( -0.597 5.430 5.650) 7.859 2.931 ( -1.428 -1.680 4.337) 4.865 3.136 ( -1.417 2.559 -4.774) 5.599 3.156 ( -1.113 2.288 -4.187) 4.900 3.224 ( 0.322 9.667 -0.770) 9.703 3.323 ( -0.373 -1.512 -3.640) 3.959 3.401 ( 1.725 3.982 -2.453) 4.985 3.506 ( -3.922 -4.024 -2.888) 6.318 3.686 ( -2.977 0.711 6.860) 7.512 3.689 ( 3.696 8.412 3.124) 9.705 3.826 ( -1.599 11.062 12.737) 16.946 4.122 ( 0.396 0.880 0.016) 0.965 4.166 ( -0.148 0.671 -1.083) 1.282 4.337 ( -2.897 -15.618 2.224) 16.039 4.408 ( 6.997 4.349 -2.635) 8.649 4.500 ( 4.171 -6.028 4.073) 8.386 4.696 ( -3.261 7.733 9.682) 12.813 4.843 ( 6.465 -3.644 10.192) 12.607 4.993 ( 3.517 6.600 -0.926) 7.536 5.044 ( -0.797 6.440 1.104) 6.582 5.199 ( -2.097 -0.709 -2.834) 3.596 5.388 ( -2.166 -9.948 -1.847) 10.347 5.460 ( -1.139 1.914 0.869) 2.390 5.522 ( 1.257 -4.083 -0.080) 4.273 5.791 ( 0.205 10.677 -2.515) 10.971 5.944 ( -1.722 -3.933 -4.316) 6.088 6.262 ( -0.155 0.507 -1.659) 1.741 6.317 ( 0.684 -4.008 -0.665) 4.120 6.513 ( 0.169 8.069 2.919) 8.583 6.564 ( -2.651 0.218 4.077) 4.868 6.622 ( -0.199 0.413 4.951) 4.972 6.756 ( 0.087 -6.791 0.176) 6.794 7.011 ( -2.668 -4.081 -1.093) 4.997 7.075 ( 1.289 -8.778 -2.933) 9.344 7.911 ( -0.874 3.976 -2.354) 4.703 7.953 ( -0.504 0.629 -3.253) 3.352 8.285 ( 2.383 0.600 0.556) 2.519 8.288 ( -3.330 0.623 1.321) 3.636 8.452 ( 0.071 1.897 -0.915) 2.108 8.525 ( 0.285 -4.802 1.499) 5.039 8.658 ( -1.141 1.277 -1.988) 2.624 8.707 ( -0.670 -3.477 -3.846) 5.228 9.147 ( 1.465 2.127 4.587) 5.264 9.219 ( 0.801 -4.448 3.431) 5.675 9.745 ( -1.689 5.907 -5.703) 8.383 9.839 ( 0.493 -2.860 -3.647) 4.660 10.195 ( 2.041 13.495 1.624) 13.744 10.467 ( 2.457 -10.703 -1.633) 11.102 10.740 ( -0.065 -0.471 -3.530) 3.562 10.758 ( -1.142 -1.394 -2.190) 2.836 10.915 ( -2.935 1.373 -4.076) 5.207 10.966 ( -0.935 -3.363 -4.226) 5.481 11.190 ( 3.693 2.890 1.788) 5.019 11.290 ( -1.555 -6.371 -0.019) 6.558 11.408 ( 6.210 3.699 -3.624) 8.085 11.505 ( 6.378 -5.288 -4.565) 9.459 11.849 ( -0.899 5.940 7.448) 9.569 11.994 ( -4.088 -7.548 5.992) 10.469 12.588 ( -9.451 4.013 0.349) 10.273 12.648 ( 6.717 1.540 3.217) 7.605 12.711 ( -6.437 -4.369 -2.499) 8.171 12.729 ( 8.276 -2.517 -2.528) 9.012 13.346 ( 0.158 -0.312 -0.461) 0.579 13.353 ( -0.522 -0.908 -0.390) 1.118 13.838 ( -2.926 1.830 -4.383) 5.579 13.889 ( -4.060 -2.488 -5.728) 7.449 14.518 ( 4.336 6.220 4.299) 8.716 14.634 ( 1.077 -4.314 2.814) 5.262 15.540 ( 3.303 8.348 -5.483) 10.520 15.652 ( 2.992 -2.836 -5.051) 6.520 15.789 ( -2.708 5.279 3.489) 6.883 15.877 ( -3.853 -3.168 3.022) 5.832 16.631 ( 0.816 6.029 -3.549) 7.043 16.768 ( 1.739 -6.833 -3.102) 7.703 19.607 ( -0.278 1.089 5.532) 5.645 19.654 ( -0.802 -3.398 6.650) 7.510 20.315 ( 0.194 6.099 0.544) 6.126 20.368 ( -0.626 1.211 3.858) 4.092 20.915 ( -0.857 0.211 8.916) 8.960 21.008 ( -1.485 -8.456 6.182) 10.579 21.671 ( -0.877 2.271 6.654) 7.085 21.719 ( -1.253 -2.065 5.733) 6.221 22.459 ( -0.411 2.097 1.063) 2.386 22.548 ( -0.401 -5.929 1.247) 6.072 23.608 ( -0.300 3.762 -0.555) 3.814 23.655 ( -0.040 -0.421 -0.588) 0.724 24.208 ( -0.446 0.834 -3.320) 3.452 24.250 ( 1.394 -3.172 -1.929) 3.966 25.125 ( 1.163 5.516 -6.975) 8.969 25.182 ( 1.046 0.259 -8.459) 8.527 ======================= Grid point 68 (36/104) ======================= q-point: ( 0.17 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -7.733 20.965 2.915) 22.535 1.788 ( 1.016 15.541 6.332) 16.813 2.117 ( 1.811 -8.948 3.971) 9.956 2.180 ( -12.646 -13.724 3.715) 19.028 2.408 ( -3.069 3.253 2.983) 5.376 2.465 ( -1.024 -2.543 3.817) 4.699 2.820 ( -5.407 5.154 4.062) 8.503 2.877 ( -5.673 -0.568 5.844) 8.164 3.053 ( -3.783 8.702 -5.142) 10.793 3.185 ( 2.738 2.057 -3.898) 5.189 3.251 ( 2.189 0.595 0.077) 2.270 3.300 ( -1.166 -1.859 0.637) 2.285 3.415 ( -3.411 -0.057 -3.916) 5.194 3.453 ( 3.945 -3.805 -5.121) 7.501 3.610 ( -6.422 0.697 4.368) 7.798 3.685 ( -3.955 -5.240 0.883) 6.624 3.911 ( 7.013 24.613 12.701) 28.571 4.142 ( 0.467 5.288 -1.371) 5.483 4.176 ( 1.662 2.706 0.428) 3.204 4.308 ( -0.441 -0.006 5.281) 5.299 4.518 ( 3.484 0.106 -3.182) 4.719 4.550 ( -0.466 -5.648 3.998) 6.935 4.656 ( -2.620 4.084 9.762) 10.901 4.885 ( -2.986 -10.728 10.693) 15.439 5.013 ( 1.627 5.075 -0.679) 5.373 5.139 ( 0.367 -6.257 -1.454) 6.434 5.242 ( 12.993 11.692 1.238) 17.523 5.369 ( -7.054 3.874 1.436) 8.175 5.454 ( 6.332 -4.123 -0.872) 7.606 5.506 ( -1.524 -7.560 0.015) 7.712 5.770 ( -1.512 8.330 -2.532) 8.837 5.902 ( -1.222 -4.201 -4.781) 6.480 6.270 ( 1.024 0.273 -0.995) 1.454 6.331 ( 0.251 -4.722 1.096) 4.854 6.458 ( -4.934 7.128 0.276) 8.674 6.565 ( -2.370 -4.240 2.513) 5.469 6.668 ( 4.958 3.338 4.131) 7.266 6.747 ( -0.143 -4.708 1.888) 5.074 6.934 ( -4.763 -1.163 -1.587) 5.153 7.063 ( -1.604 -10.917 -1.730) 11.169 7.890 ( -0.722 2.665 -2.339) 3.619 7.915 ( -2.132 0.986 -2.621) 3.520 8.205 ( -5.442 3.294 0.662) 6.396 8.279 ( -2.956 -3.736 -2.578) 5.417 8.497 ( 4.580 3.058 0.724) 5.555 8.555 ( 3.603 -1.687 0.694) 4.038 8.631 ( -0.439 2.413 -3.392) 4.186 8.716 ( 1.339 -5.821 -3.937) 7.154 9.179 ( 0.157 1.308 5.727) 5.876 9.220 ( -1.995 -2.259 3.823) 4.868 9.717 ( 0.677 5.343 -6.557) 8.485 9.834 ( 0.398 -5.163 -3.993) 6.539 10.239 ( 1.701 12.591 2.662) 12.982 10.462 ( -2.261 -7.672 0.820) 8.040 10.716 ( -0.879 0.832 -2.705) 2.963 10.754 ( 0.542 -2.847 -3.217) 4.330 10.883 ( 0.189 2.944 -6.753) 7.369 10.958 ( 2.254 -3.998 -6.562) 8.008 11.277 ( 3.558 1.805 -1.535) 4.275 11.327 ( 6.655 -2.257 1.470) 7.179 11.539 ( 7.397 1.158 3.401) 8.223 11.604 ( 4.764 -4.462 0.136) 6.528 11.827 ( -3.279 1.506 4.314) 5.624 11.893 ( -6.994 -4.930 2.852) 9.020 12.355 ( -13.848 3.291 -1.473) 14.310 12.464 ( -12.430 -6.455 1.703) 14.109 12.860 ( 9.525 3.406 0.230) 10.118 12.919 ( 8.661 -1.651 -2.344) 9.124 13.353 ( 1.316 0.965 -0.182) 1.642 13.390 ( 4.225 -2.741 -0.348) 5.048 13.768 ( -2.725 0.781 -4.378) 5.215 13.798 ( -3.547 -1.525 -5.349) 6.597 14.622 ( 4.305 3.117 4.398) 6.898 14.668 ( 2.020 -1.362 1.367) 2.794 15.585 ( 2.046 8.473 -4.521) 9.819 15.680 ( 0.656 -1.989 2.155) 3.005 15.775 ( 1.353 2.982 -2.329) 4.018 15.811 ( -3.265 -2.237 1.083) 4.103 16.643 ( 1.243 7.818 -3.155) 8.522 16.820 ( 4.228 -8.682 -3.073) 10.134 19.612 ( -0.847 0.689 5.869) 5.969 19.650 ( -1.532 -2.775 6.578) 7.302 20.320 ( 0.189 6.257 0.104) 6.260 20.370 ( -0.242 1.815 4.005) 4.404 20.926 ( -0.514 -1.660 9.313) 9.473 20.996 ( -1.434 -7.946 5.886) 9.992 21.675 ( -0.543 1.525 6.806) 6.996 21.711 ( -1.182 -1.697 5.394) 5.776 22.448 ( -0.864 1.552 0.946) 2.013 22.528 ( -1.962 -5.644 1.167) 6.088 23.603 ( -0.012 3.850 -0.667) 3.908 23.652 ( -0.036 -0.501 -0.770) 0.920 24.191 ( -0.558 2.395 -2.998) 3.878 24.260 ( 0.310 -4.273 -1.940) 4.703 25.123 ( 0.596 5.076 -6.729) 8.449 25.164 ( -0.481 1.363 -8.069) 8.197 ======================= Grid point 69 (37/104) ======================= q-point: ( 0.33 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -1.315 13.536 4.782) 14.416 1.794 ( -4.477 3.899 3.610) 6.948 1.979 ( -7.549 2.212 9.210) 12.112 2.164 ( 1.226 -7.846 7.625) 11.009 2.370 ( -0.817 3.195 -0.595) 3.351 2.462 ( -0.171 -5.581 2.216) 6.008 2.701 ( -6.933 4.539 2.652) 8.701 2.769 ( -6.840 -0.743 6.197) 9.260 2.980 ( -2.907 13.271 -0.543) 13.597 3.214 ( 1.250 5.169 -0.768) 5.373 3.252 ( -1.726 -10.034 1.872) 10.352 3.321 ( 2.499 -4.404 -0.274) 5.071 3.411 ( 2.609 4.577 -3.925) 6.569 3.476 ( -3.422 -2.590 -0.038) 4.292 3.527 ( 1.733 -3.501 -2.679) 4.736 3.591 ( -5.943 -6.271 -1.400) 8.752 4.098 ( 8.593 22.331 10.040) 25.948 4.119 ( -1.521 11.499 -2.498) 11.865 4.220 ( 1.645 3.720 1.170) 4.233 4.298 ( -2.311 13.305 3.253) 13.890 4.506 ( -1.786 -6.154 0.711) 6.447 4.540 ( -1.028 -2.383 -0.976) 2.773 4.644 ( -1.899 -0.385 8.362) 8.583 4.855 ( -2.748 -13.052 9.885) 16.602 5.072 ( 3.755 6.834 -1.511) 7.943 5.169 ( 1.911 -2.688 -2.858) 4.364 5.221 ( -6.422 5.176 1.966) 8.479 5.400 ( -5.524 -10.694 1.834) 12.175 5.470 ( 9.834 10.853 1.114) 14.688 5.630 ( 6.235 -2.903 -1.726) 7.091 5.725 ( -2.578 8.069 -1.280) 8.567 5.890 ( 1.374 -7.772 -2.175) 8.187 6.291 ( 1.402 -1.101 1.068) 2.078 6.313 ( -2.936 -1.720 0.624) 3.460 6.386 ( -1.904 2.339 3.194) 4.393 6.487 ( -4.851 -6.572 1.467) 8.299 6.762 ( 1.155 -1.003 2.389) 2.836 6.788 ( 4.516 -2.750 1.667) 5.544 6.856 ( -1.797 3.761 -0.774) 4.240 7.025 ( -2.390 -9.441 1.003) 9.790 7.862 ( -1.466 2.991 -1.862) 3.816 7.887 ( -0.440 0.746 -1.928) 2.113 8.117 ( -3.562 3.413 0.353) 4.946 8.219 ( -1.823 -6.127 -2.094) 6.727 8.574 ( 1.079 5.570 0.141) 5.676 8.616 ( 3.554 3.145 -4.108) 6.277 8.663 ( 5.164 -1.410 -2.412) 5.872 8.719 ( 0.228 -7.282 -3.614) 8.133 9.169 ( -3.126 0.467 4.611) 5.590 9.180 ( -2.420 -0.613 4.991) 5.581 9.736 ( 2.789 4.031 -6.019) 7.762 9.845 ( 1.971 -5.926 -3.843) 7.332 10.256 ( -0.724 10.377 2.410) 10.678 10.408 ( -3.774 -3.917 1.321) 5.597 10.698 ( -0.429 2.062 -2.245) 3.079 10.754 ( 0.214 -3.044 -2.388) 3.875 10.879 ( 1.626 3.816 -8.033) 9.040 11.005 ( 4.557 -6.128 -8.768) 11.628 11.359 ( 5.066 6.323 -0.203) 8.105 11.431 ( 2.927 1.297 0.171) 3.206 11.632 ( -1.122 -0.565 3.177) 3.416 11.700 ( 4.707 -5.525 5.586) 9.159 11.760 ( -2.101 -4.126 -2.710) 5.365 11.809 ( -1.640 -5.861 -0.685) 6.124 12.123 ( -9.508 4.846 0.920) 10.711 12.261 ( -10.320 -7.734 4.104) 13.534 12.989 ( 4.668 3.055 -1.106) 5.687 13.021 ( 3.736 0.562 -3.042) 4.851 13.387 ( 1.858 2.884 0.046) 3.431 13.476 ( 4.191 -5.492 -0.540) 6.929 13.734 ( 0.054 0.112 -1.740) 1.744 13.754 ( 0.007 -1.171 -1.899) 2.231 14.651 ( -1.062 4.486 1.775) 4.940 14.725 ( 2.711 -2.692 0.103) 3.821 15.577 ( -1.211 6.329 -0.721) 6.484 15.674 ( -3.247 -3.966 1.517) 5.346 15.793 ( 3.114 3.339 -0.329) 4.578 15.824 ( 3.003 1.024 -3.716) 4.887 16.656 ( 0.903 10.511 -2.954) 10.955 16.882 ( 2.918 -10.252 -3.922) 11.358 19.606 ( -1.437 0.427 6.069) 6.251 19.636 ( -1.547 -2.366 6.275) 6.883 20.321 ( -0.014 6.355 -0.304) 6.362 20.378 ( -0.043 1.437 3.433) 3.722 20.937 ( -1.083 -2.948 9.070) 9.598 20.991 ( -0.722 -7.755 6.963) 10.447 21.684 ( -0.519 0.650 6.695) 6.747 21.705 ( -0.779 -1.243 5.280) 5.480 22.439 ( -0.206 0.046 0.953) 0.976 22.490 ( -2.205 -4.458 1.410) 5.169 23.605 ( 0.332 3.726 -0.459) 3.769 23.651 ( 0.105 -0.265 -0.753) 0.805 24.176 ( -0.186 3.162 -2.568) 4.077 24.254 ( -0.282 -4.326 -2.074) 4.805 25.115 ( 0.518 4.449 -6.683) 8.045 25.133 ( -0.426 2.942 -7.366) 7.943 ======================= Grid point 70 (38/104) ======================= q-point: (-0.50 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -5.422 6.972 1.987) 9.054 1.719 ( 3.298 -2.582 4.244) 5.963 1.942 ( -2.545 14.992 12.808) 19.881 2.202 ( 0.339 -7.671 10.306) 12.852 2.401 ( 4.225 0.903 -0.340) 4.334 2.461 ( -0.237 -4.593 1.324) 4.786 2.655 ( 1.997 4.079 4.206) 6.190 2.713 ( -0.268 0.548 6.885) 6.912 2.957 ( 0.596 12.651 1.879) 12.803 3.210 ( -0.017 -7.292 -2.386) 7.672 3.261 ( 0.316 1.531 2.271) 2.757 3.322 ( -4.205 -2.823 0.550) 5.095 3.372 ( 0.321 1.807 -0.701) 1.965 3.483 ( -3.783 -5.586 -3.604) 7.649 3.522 ( 4.765 0.826 -1.585) 5.089 3.590 ( 4.366 -5.167 -1.148) 6.861 4.083 ( -0.602 12.111 -4.484) 12.928 4.175 ( -1.125 5.548 -0.799) 5.717 4.255 ( -4.104 18.664 4.386) 19.607 4.284 ( 2.281 14.191 6.889) 15.938 4.446 ( -4.716 -3.382 1.741) 6.058 4.527 ( -0.205 0.352 -1.765) 1.811 4.637 ( -0.616 -3.951 7.634) 8.618 4.834 ( -2.276 -12.034 8.338) 14.816 5.060 ( -1.806 3.652 -3.737) 5.528 5.127 ( -4.168 -1.782 -4.609) 6.464 5.222 ( 1.715 4.190 2.279) 5.069 5.350 ( 0.498 -8.910 2.356) 9.230 5.598 ( 4.086 9.347 -2.163) 10.428 5.626 ( -4.373 3.287 -1.612) 5.703 5.702 ( -0.422 5.709 -0.546) 5.750 5.927 ( 1.790 -11.208 0.353) 11.355 6.273 ( -0.600 1.792 0.852) 2.073 6.325 ( 1.440 -3.069 2.652) 4.304 6.382 ( -0.956 -0.255 4.503) 4.610 6.457 ( 2.052 -6.853 3.669) 8.040 6.766 ( -1.658 -0.350 1.150) 2.048 6.806 ( 1.446 -4.349 1.679) 4.881 6.920 ( 4.501 0.583 -0.002) 4.539 6.973 ( -3.720 -4.175 2.449) 6.105 7.849 ( 0.844 3.662 -1.094) 3.914 7.883 ( 0.632 0.214 -1.990) 2.099 8.095 ( 0.930 3.571 0.805) 3.777 8.219 ( 2.000 -7.618 0.187) 7.878 8.547 ( -2.107 5.168 -3.537) 6.607 8.650 ( -1.797 -2.752 -6.404) 7.198 8.693 ( 1.981 2.451 -2.104) 3.789 8.775 ( 4.497 -4.133 -0.632) 6.140 9.130 ( -1.538 0.299 3.315) 3.667 9.147 ( -2.643 -1.320 5.836) 6.541 9.776 ( 2.809 4.103 -5.294) 7.263 9.872 ( 1.234 -4.623 -2.775) 5.531 10.229 ( -2.284 7.883 0.834) 8.249 10.337 ( -3.490 -2.038 -0.716) 4.104 10.692 ( 0.586 2.669 -2.051) 3.416 10.759 ( 1.142 -3.160 -1.286) 3.598 10.898 ( 2.351 4.694 -7.412) 9.083 11.069 ( 4.469 -8.519 -8.747) 13.002 11.404 ( -2.705 8.744 -0.611) 9.173 11.432 ( -0.326 4.811 -1.525) 5.057 11.531 ( -8.445 -2.403 -2.347) 9.088 11.653 ( -5.271 -9.655 -2.691) 11.325 11.788 ( 1.238 -0.402 -1.036) 1.664 11.861 ( 3.826 -6.736 3.871) 8.660 12.084 ( 4.398 0.767 4.394) 6.264 12.155 ( -0.850 -5.769 6.625) 8.826 13.027 ( -0.037 3.116 -1.760) 3.579 13.055 ( 0.933 1.034 -2.899) 3.216 13.403 ( -0.243 3.406 -0.133) 3.417 13.510 ( -0.408 -6.472 -1.212) 6.597 13.758 ( 2.540 0.695 0.854) 2.769 13.791 ( 3.704 -1.725 1.728) 4.437 14.614 ( -2.997 6.811 -0.456) 7.455 14.740 ( -0.994 -5.053 -0.759) 5.206 15.560 ( -0.531 3.111 -0.112) 3.158 15.603 ( -3.364 -0.919 -2.709) 4.416 15.844 ( 1.384 3.752 -1.127) 4.155 15.878 ( 3.499 0.732 0.537) 3.615 16.657 ( 0.116 11.419 -3.129) 11.840 16.894 ( -0.479 -10.259 -4.790) 11.332 19.594 ( -1.395 0.759 5.813) 6.026 19.630 ( -0.856 -2.811 6.169) 6.833 20.318 ( -0.233 6.312 -0.287) 6.323 20.383 ( -0.280 0.442 2.716) 2.766 20.932 ( -1.738 -2.045 8.568) 8.978 21.003 ( -0.350 -8.356 8.209) 11.719 21.683 ( -1.203 1.110 5.916) 6.139 21.714 ( -0.037 -1.701 6.044) 6.279 22.446 ( 0.276 -1.700 0.732) 1.871 22.467 ( -0.196 -2.806 2.060) 3.487 23.611 ( 0.372 3.512 -0.115) 3.534 23.652 ( 0.225 0.002 -0.579) 0.621 24.174 ( 0.664 2.895 -2.299) 3.756 24.243 ( -0.301 -3.703 -2.395) 4.420 25.106 ( 0.527 4.634 -7.146) 8.534 25.124 ( 1.322 3.085 -6.767) 7.554 ======================= Grid point 71 (39/104) ======================= q-point: (-0.33 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 0.888 16.908 1.388) 16.988 1.839 ( 4.934 -0.841 4.077) 6.456 1.930 ( 0.003 7.358 9.450) 11.977 2.226 ( -0.090 -10.207 10.075) 14.342 2.465 ( 0.412 1.122 4.767) 4.914 2.481 ( 2.033 -1.034 4.237) 4.812 2.748 ( 4.756 4.264 3.628) 7.346 2.797 ( 6.778 1.264 5.601) 8.883 3.024 ( 5.765 9.395 1.042) 11.072 3.202 ( -0.500 3.236 -2.333) 4.021 3.260 ( 1.225 -8.834 -2.205) 9.187 3.296 ( -0.180 -4.396 2.799) 5.214 3.362 ( 0.656 3.961 -1.819) 4.408 3.488 ( 3.918 -6.310 -2.628) 7.879 3.581 ( 1.924 4.079 -0.594) 4.549 3.661 ( 2.638 -2.272 2.693) 4.401 4.036 ( -11.464 21.134 5.739) 24.718 4.122 ( 0.322 13.681 -3.604) 14.152 4.161 ( -0.232 5.475 -2.883) 6.192 4.299 ( -3.186 1.715 5.816) 6.849 4.401 ( -0.694 -2.873 -0.290) 2.970 4.511 ( -1.516 -4.881 -2.133) 5.538 4.643 ( -1.087 -1.959 7.769) 8.085 4.802 ( -3.471 -7.400 6.206) 10.263 5.019 ( -3.705 -0.112 -4.327) 5.697 5.059 ( 1.619 -2.626 -2.081) 3.721 5.289 ( 4.860 3.499 2.477) 6.480 5.379 ( 1.706 -3.724 -0.441) 4.120 5.484 ( -10.079 8.352 0.478) 13.099 5.615 ( -2.083 -2.592 -2.996) 4.475 5.716 ( 2.576 10.467 0.359) 10.786 5.949 ( 1.026 -9.866 -0.311) 9.924 6.284 ( 0.602 1.621 0.885) 1.943 6.338 ( -0.442 -3.230 0.814) 3.360 6.407 ( 2.768 5.200 4.800) 7.599 6.547 ( 5.107 -7.284 5.251) 10.330 6.727 ( -2.660 0.107 -0.065) 2.663 6.805 ( -5.084 -6.743 2.624) 8.843 6.930 ( 2.127 0.805 2.411) 3.315 7.001 ( 3.474 -4.723 -0.663) 5.900 7.886 ( 3.138 2.800 -1.423) 4.440 7.902 ( 1.752 1.013 -1.592) 2.574 8.143 ( 3.506 4.473 1.620) 5.910 8.281 ( 4.010 -7.975 1.774) 9.101 8.499 ( -1.957 3.258 -2.460) 4.527 8.571 ( -4.212 -3.457 -4.480) 7.055 8.704 ( -0.559 5.206 -2.004) 5.607 8.820 ( 0.269 -5.311 -1.863) 5.634 9.113 ( -1.492 0.470 4.433) 4.701 9.144 ( 1.269 -2.253 2.992) 3.954 9.804 ( 1.736 3.779 -5.226) 6.678 9.860 ( -1.888 -1.287 -1.620) 2.801 10.189 ( -1.969 7.886 0.429) 8.139 10.313 ( 2.162 -3.202 -3.247) 5.047 10.714 ( 2.244 2.096 -0.748) 3.160 10.778 ( 0.509 -4.516 -1.503) 4.787 10.928 ( 3.034 4.889 -5.405) 7.895 11.096 ( -0.400 -9.593 -6.897) 11.822 11.342 ( -0.960 4.359 -6.633) 7.994 11.355 ( -7.165 3.366 -4.824) 9.270 11.372 ( -7.091 1.475 1.127) 7.329 11.553 ( -5.374 -8.551 -4.568) 11.084 11.794 ( 0.609 3.951 2.483) 4.706 11.932 ( 3.031 -8.391 7.021) 11.353 12.240 ( 9.665 -1.159 4.738) 10.826 12.263 ( 9.665 -3.241 3.377) 10.739 12.974 ( -5.468 4.365 -2.128) 7.313 13.034 ( -2.901 -0.467 -2.909) 4.135 13.384 ( -1.535 2.074 0.108) 2.583 13.464 ( -3.823 -5.647 -0.829) 6.870 13.819 ( 3.350 1.928 1.440) 4.125 13.877 ( 4.519 -2.842 2.331) 5.826 14.545 ( -4.093 7.778 -1.544) 8.924 14.693 ( -3.573 -6.001 -0.497) 7.002 15.530 ( -1.716 3.090 -3.687) 5.108 15.581 ( 1.497 -1.067 -3.675) 4.109 15.848 ( -0.592 6.345 0.523) 6.394 15.926 ( 0.909 -1.039 3.124) 3.416 16.646 ( -0.316 9.511 -3.563) 10.162 16.846 ( -2.982 -8.936 -4.915) 10.626 19.589 ( -0.641 1.161 5.436) 5.596 19.635 ( -0.327 -3.415 6.288) 7.162 20.313 ( -0.237 6.152 0.176) 6.159 20.381 ( -0.692 -0.186 2.518) 2.618 20.921 ( -1.782 -0.233 8.711) 8.895 21.014 ( -0.707 -8.779 7.976) 11.882 21.676 ( -1.145 2.137 6.013) 6.483 21.726 ( -0.498 -2.306 6.159) 6.595 22.448 ( 0.113 -0.139 1.219) 1.232 22.496 ( 2.049 -4.144 1.755) 4.945 23.616 ( 0.096 3.414 0.068) 3.416 23.655 ( 0.190 0.022 -0.463) 0.501 24.190 ( 1.712 1.447 -2.179) 3.126 24.232 ( -0.129 -2.583 -2.819) 3.826 25.106 ( 1.378 5.222 -7.206) 9.005 25.141 ( 2.414 2.074 -7.235) 7.904 ======================= Grid point 72 (40/104) ======================= q-point: (-0.17 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 5.888 20.717 1.001) 21.561 1.864 ( -1.215 19.506 8.622) 21.361 2.011 ( 4.004 -10.379 1.047) 11.173 2.278 ( 3.634 -13.699 6.518) 15.600 2.475 ( -1.070 1.941 7.395) 7.720 2.504 ( -0.912 -1.486 5.697) 5.958 2.825 ( 2.663 5.862 4.109) 7.638 2.907 ( 2.918 -1.418 4.763) 5.763 3.110 ( 3.216 5.675 -2.898) 7.137 3.210 ( -0.876 4.247 -1.686) 4.652 3.229 ( 0.058 -0.343 -2.012) 2.042 3.338 ( 0.578 -3.005 -3.728) 4.823 3.397 ( 1.528 2.152 0.859) 2.775 3.536 ( 1.284 -5.054 -3.468) 6.262 3.611 ( 2.334 12.644 -0.405) 12.864 3.693 ( -0.009 2.226 7.286) 7.618 3.859 ( -6.817 12.980 13.504) 19.933 4.131 ( -0.520 3.977 -2.697) 4.833 4.195 ( 0.887 1.356 -5.538) 5.770 4.254 ( 2.529 -0.133 4.406) 5.082 4.416 ( 1.947 -4.903 -2.596) 5.880 4.448 ( -3.956 -12.999 2.321) 13.785 4.673 ( 3.007 3.898 7.442) 8.923 4.753 ( -2.306 -0.350 6.210) 6.633 4.974 ( -0.580 4.741 -2.594) 5.435 5.091 ( 0.144 -4.216 -0.551) 4.254 5.282 ( -8.462 8.912 0.071) 12.290 5.386 ( 3.274 0.524 0.940) 3.446 5.437 ( 3.961 -1.570 -0.196) 4.266 5.540 ( -4.847 -9.527 0.177) 10.690 5.768 ( 2.676 12.319 -1.714) 12.723 5.965 ( 0.596 -6.360 -2.246) 6.771 6.280 ( -0.942 0.918 -0.556) 1.428 6.324 ( -0.931 -2.408 -0.695) 2.673 6.475 ( 2.480 8.459 4.487) 9.892 6.613 ( -0.286 -4.013 6.477) 7.625 6.657 ( -6.160 0.693 0.877) 6.261 6.734 ( 0.735 -6.819 0.335) 6.867 7.004 ( 3.536 -4.039 1.594) 5.600 7.047 ( 1.977 -6.084 -2.493) 6.866 7.922 ( 0.606 2.987 -1.842) 3.561 7.939 ( 2.598 1.694 -2.437) 3.944 8.215 ( 3.771 4.146 1.959) 5.937 8.332 ( -0.228 -6.001 0.612) 6.037 8.469 ( -1.081 1.557 -0.641) 2.001 8.513 ( -0.533 -3.140 0.423) 3.213 8.677 ( -1.153 3.775 -2.592) 4.723 8.774 ( -3.997 -4.997 -2.823) 6.994 9.115 ( 0.607 2.002 3.712) 4.260 9.184 ( 1.962 -4.228 2.622) 5.348 9.795 ( -1.975 3.730 -4.662) 6.289 9.832 ( 0.710 -0.049 -3.001) 3.084 10.171 ( 0.014 11.533 0.752) 11.558 10.388 ( 5.828 -7.270 -3.065) 9.809 10.751 ( 0.171 -0.781 -1.094) 1.356 10.769 ( 0.626 -2.235 -2.170) 3.177 10.964 ( 0.726 0.739 -2.628) 2.825 11.021 ( -4.692 -4.909 -4.864) 8.353 11.217 ( -6.382 4.886 -0.466) 8.052 11.286 ( 0.629 -0.613 -2.804) 2.938 11.374 ( 2.530 -0.426 -2.761) 3.769 11.448 ( -1.933 -6.666 -9.303) 11.607 11.827 ( 1.164 6.678 6.144) 9.149 11.998 ( 1.389 -9.006 7.621) 11.879 12.435 ( 10.755 0.821 3.264) 11.269 12.478 ( 12.381 -3.019 1.496) 12.831 12.821 ( -10.165 5.106 -2.320) 11.609 12.920 ( -8.892 -3.369 -2.886) 9.937 13.357 ( -1.237 0.526 -0.038) 1.344 13.391 ( -3.377 -2.965 -0.337) 4.507 13.866 ( 0.983 2.490 -0.967) 2.846 13.935 ( 0.806 -3.526 -1.379) 3.871 14.482 ( -1.514 8.093 0.802) 8.272 14.635 ( -2.102 -5.964 1.236) 6.443 15.511 ( 1.062 6.388 -5.211) 8.312 15.610 ( 2.855 -3.053 -5.663) 7.039 15.828 ( -2.138 6.754 3.213) 7.779 15.924 ( -2.003 -2.292 3.728) 4.813 16.633 ( 0.035 6.813 -3.800) 7.801 16.782 ( -2.110 -7.109 -4.075) 8.462 19.596 ( -0.128 1.275 5.330) 5.482 19.647 ( -0.273 -3.638 6.491) 7.446 20.312 ( -0.014 6.040 0.603) 6.070 20.373 ( -0.838 0.202 3.083) 3.202 20.913 ( -1.432 0.816 8.773) 8.926 21.016 ( -1.169 -8.770 7.070) 11.325 21.672 ( -1.023 2.539 6.370) 6.934 21.726 ( -1.081 -2.332 6.004) 6.531 22.456 ( 0.282 1.509 1.245) 1.977 22.534 ( 1.402 -5.438 1.497) 5.811 23.614 ( -0.225 3.537 -0.165) 3.548 23.656 ( 0.056 -0.161 -0.455) 0.486 24.221 ( 1.763 -0.948 -3.090) 3.682 24.223 ( 0.193 -1.008 -2.164) 2.395 25.116 ( 1.644 5.540 -7.164) 9.204 25.169 ( 2.491 0.784 -8.042) 8.455 ======================= Grid point 91 (41/104) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 7.684 0.000 25.617) 26.745 1.117 ( 2.139 0.000 27.710) 27.792 1.696 ( -0.017 0.000 33.596) 33.596 1.928 ( 0.618 0.000 -7.550) 7.575 2.508 ( -1.790 0.000 1.117) 2.110 2.539 ( -0.930 0.000 4.823) 4.912 2.690 ( -4.400 0.000 5.441) 6.998 2.763 ( 2.162 0.000 15.631) 15.780 2.906 ( -4.247 0.000 13.857) 14.494 2.960 ( 1.092 0.000 -1.374) 1.755 3.092 ( 1.042 0.000 -8.560) 8.623 3.207 ( -3.966 0.000 13.516) 14.086 3.334 ( -6.271 0.000 -0.795) 6.322 3.508 ( 3.169 0.000 1.851) 3.670 3.557 ( 1.135 0.000 -5.862) 5.971 3.619 ( -1.999 0.000 -0.061) 2.000 3.921 ( -1.841 0.000 -6.948) 7.188 4.001 ( -3.054 0.000 0.799) 3.157 4.174 ( 5.180 0.000 7.161) 8.839 4.244 ( -2.269 0.000 4.364) 4.918 4.352 ( 3.903 0.000 6.425) 7.518 4.500 ( -7.775 0.000 -6.768) 10.308 4.752 ( 4.755 0.000 -7.316) 8.725 4.776 ( -2.573 0.000 2.708) 3.735 4.945 ( 2.444 0.000 -1.030) 2.652 5.132 ( 5.460 0.000 -11.274) 12.526 5.245 ( -6.481 0.000 -1.514) 6.656 5.318 ( 6.399 0.000 1.968) 6.695 5.468 ( -0.503 0.000 -0.241) 0.557 5.565 ( -5.054 0.000 2.918) 5.836 5.902 ( -2.447 0.000 -1.319) 2.780 5.984 ( 6.995 0.000 5.563) 8.937 6.157 ( -3.249 0.000 -1.016) 3.404 6.450 ( -2.869 0.000 -2.587) 3.863 6.661 ( -1.639 0.000 -2.764) 3.213 6.742 ( 0.698 0.000 1.307) 1.482 6.764 ( 1.723 0.000 7.419) 7.616 6.986 ( 6.983 0.000 0.738) 7.022 7.013 ( -3.577 0.000 -1.620) 3.927 7.114 ( 1.798 0.000 0.918) 2.019 7.608 ( -0.492 0.000 -3.077) 3.116 7.816 ( 2.325 0.000 -5.416) 5.894 8.155 ( 2.944 0.000 -3.342) 4.454 8.260 ( -2.175 0.000 0.663) 2.274 8.478 ( -1.739 0.000 -4.773) 5.080 8.570 ( -5.690 0.000 -9.973) 11.482 8.771 ( -4.223 0.000 3.614) 5.559 8.936 ( 4.945 0.000 -1.423) 5.146 9.099 ( -2.106 0.000 4.126) 4.633 9.295 ( -5.094 0.000 1.532) 5.319 9.632 ( 1.429 0.000 1.285) 1.922 9.862 ( 9.530 0.000 -0.566) 9.547 10.441 ( 2.499 0.000 -2.748) 3.714 10.508 ( 2.296 0.000 -3.967) 4.584 10.722 ( -16.608 0.000 -5.139) 17.385 10.798 ( -6.141 0.000 -3.298) 6.971 10.887 ( -15.267 0.000 1.349) 15.327 11.055 ( -5.738 0.000 0.757) 5.788 11.097 ( -2.146 0.000 -3.724) 4.299 11.475 ( 3.016 0.000 -14.163) 14.481 11.515 ( 15.994 0.000 0.044) 15.994 11.768 ( 1.009 0.000 6.350) 6.430 11.877 ( -0.346 0.000 0.817) 0.887 12.268 ( 9.879 0.000 -7.715) 12.534 12.504 ( -6.397 0.000 0.942) 6.466 12.515 ( 7.492 0.000 -8.156) 11.074 12.692 ( -6.844 0.000 8.866) 11.201 12.961 ( 13.233 0.000 0.873) 13.262 13.300 ( 3.254 0.000 3.621) 4.869 13.607 ( -2.504 0.000 -2.978) 3.891 13.638 ( -1.172 0.000 2.749) 2.989 13.888 ( -6.357 0.000 -4.576) 7.833 14.454 ( -1.659 0.000 -1.231) 2.066 14.569 ( 4.365 0.000 4.351) 6.163 14.895 ( 2.601 0.000 -3.616) 4.455 14.963 ( 1.627 0.000 -0.257) 1.647 15.919 ( 6.360 0.000 6.600) 9.166 16.146 ( 0.498 0.000 8.064) 8.080 16.265 ( -0.152 0.000 -2.114) 2.120 16.898 ( 0.537 0.000 -6.948) 6.969 19.718 ( 0.935 0.000 4.226) 4.329 19.976 ( -2.523 0.000 -0.268) 2.537 20.052 ( -2.070 0.000 7.078) 7.375 20.496 ( -16.985 0.000 6.770) 18.285 21.610 ( 4.025 0.000 3.499) 5.333 21.785 ( -2.199 0.000 10.694) 10.918 21.851 ( -1.539 0.000 14.822) 14.902 22.441 ( 3.743 0.000 -4.453) 5.817 22.482 ( 0.105 0.000 -0.942) 0.948 22.660 ( 7.042 0.000 -0.732) 7.080 23.173 ( 0.599 0.000 7.211) 7.236 23.357 ( -0.324 0.000 -0.356) 0.481 23.913 ( 1.174 0.000 -0.262) 1.203 24.312 ( -0.770 0.000 -0.906) 1.189 24.439 ( 1.091 0.000 -9.713) 9.774 24.706 ( 3.734 0.000 -8.994) 9.738 ======================= Grid point 92 (42/104) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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| 1.214 ( 18.064 0.000 19.299) 26.434 1.321 ( 11.570 0.000 25.855) 28.326 1.837 ( 5.475 0.000 30.929) 31.409 1.961 ( 5.111 0.000 -7.106) 8.753 2.458 ( -9.088 0.000 1.805) 9.265 2.484 ( -0.271 0.000 1.014) 1.049 2.551 ( -11.336 0.000 6.636) 13.135 2.792 ( -3.542 0.000 22.165) 22.447 2.870 ( -2.687 0.000 -0.217) 2.696 2.935 ( -2.714 0.000 -7.208) 7.702 3.059 ( -4.699 0.000 14.537) 15.278 3.130 ( -11.518 0.000 2.404) 11.766 3.210 ( 2.357 0.000 0.963) 2.546 3.529 ( -1.402 0.000 -7.517) 7.646 3.548 ( 0.419 0.000 3.350) 3.376 3.735 ( 9.465 0.000 5.658) 11.027 3.897 ( 0.938 0.000 -6.541) 6.608 3.922 ( -3.606 0.000 -0.893) 3.715 4.100 ( -14.097 0.000 3.118) 14.438 4.194 ( -3.401 0.000 7.788) 8.499 4.288 ( -9.367 0.000 -7.824) 12.204 4.459 ( 1.788 0.000 2.643) 3.191 4.803 ( 5.000 0.000 6.210) 7.973 4.834 ( 3.751 0.000 -5.827) 6.930 5.045 ( 6.211 0.000 0.172) 6.214 5.088 ( -5.503 0.000 -5.350) 7.675 5.246 ( 4.498 0.000 -11.600) 12.441 5.359 ( -0.761 0.000 -2.209) 2.336 5.411 ( -3.628 0.000 2.981) 4.695 5.449 ( -7.090 0.000 1.149) 7.182 5.927 ( 4.299 0.000 2.225) 4.841 6.151 ( 2.375 0.000 2.196) 3.235 6.161 ( 10.147 0.000 0.566) 10.163 6.443 ( 2.073 0.000 -0.866) 2.246 6.649 ( 1.363 0.000 -1.489) 2.019 6.757 ( 0.475 0.000 -2.170) 2.221 6.793 ( -0.457 0.000 6.692) 6.708 6.947 ( -3.058 0.000 -2.432) 3.907 7.091 ( 3.427 0.000 1.721) 3.835 7.098 ( -3.683 0.000 -0.222) 3.689 7.608 ( 1.323 0.000 -5.071) 5.241 7.740 ( -7.554 0.000 -3.251) 8.224 8.184 ( 0.576 0.000 -1.037) 1.187 8.310 ( 5.422 0.000 -0.232) 5.427 8.431 ( -2.469 0.000 0.939) 2.641 8.486 ( 0.510 0.000 -9.768) 9.782 8.704 ( -2.492 0.000 1.858) 3.109 8.966 ( -2.048 0.000 -1.134) 2.341 9.082 ( 0.032 0.000 1.815) 1.815 9.153 ( -7.903 0.000 0.965) 7.962 9.717 ( 5.645 0.000 1.925) 5.964 10.001 ( 4.201 0.000 3.244) 5.307 10.219 ( -22.202 0.000 9.131) 24.006 10.517 ( 6.437 0.000 -5.549) 8.499 10.569 ( -0.882 0.000 -2.589) 2.735 10.697 ( -4.590 0.000 -0.014) 4.590 10.768 ( -2.232 0.000 0.588) 2.308 10.985 ( -1.348 0.000 -3.256) 3.524 11.099 ( 2.749 0.000 -3.186) 4.208 11.465 ( 1.492 0.000 -12.490) 12.579 11.833 ( 15.672 0.000 2.664) 15.897 11.843 ( 4.524 0.000 2.835) 5.339 11.868 ( -0.870 0.000 1.957) 2.141 12.164 ( -6.237 0.000 -13.953) 15.283 12.316 ( -13.117 0.000 -3.429) 13.558 12.607 ( -4.159 0.000 8.598) 9.551 12.729 ( 8.320 0.000 -6.817) 10.756 13.271 ( 13.780 0.000 -3.197) 14.146 13.356 ( 1.429 0.000 3.406) 3.694 13.516 ( -4.407 0.000 -0.989) 4.517 13.655 ( 2.054 0.000 3.465) 4.027 13.846 ( 2.785 0.000 -3.800) 4.712 14.435 ( -0.328 0.000 0.538) 0.630 14.672 ( 4.000 0.000 5.118) 6.495 14.902 ( 0.245 0.000 -7.609) 7.613 14.979 ( 0.483 0.000 -2.126) 2.180 16.016 ( 2.064 0.000 6.306) 6.635 16.188 ( 1.554 0.000 1.132) 1.923 16.250 ( -0.806 0.000 -1.893) 2.057 16.897 ( 1.303 0.000 -6.914) 7.036 19.738 ( -0.264 0.000 4.620) 4.627 19.895 ( -4.619 0.000 1.378) 4.820 20.038 ( -1.229 0.000 7.148) 7.253 20.367 ( -1.394 0.000 13.685) 13.756 21.639 ( -0.984 0.000 3.431) 3.570 21.773 ( -1.993 0.000 10.357) 10.547 21.853 ( -2.296 0.000 14.405) 14.587 22.334 ( -7.824 0.000 0.889) 7.874 22.483 ( 0.333 0.000 -1.000) 1.054 22.878 ( 10.800 0.000 -8.554) 13.777 23.198 ( -0.007 0.000 4.567) 4.567 23.354 ( 0.064 0.000 0.321) 0.328 23.934 ( 1.088 0.000 -0.580) 1.233 24.290 ( -1.143 0.000 -1.171) 1.636 24.434 ( 1.172 0.000 -9.932) 10.001 24.706 ( -0.985 0.000 -8.509) 8.566 ======================= Grid point 93 (43/104) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 8.018 0.000 18.745) 20.387 1.632 ( 15.135 0.000 21.166) 26.020 1.988 ( 2.804 0.000 21.285) 21.469 2.058 ( 3.030 0.000 -0.156) 3.034 2.233 ( -11.769 0.000 1.406) 11.853 2.378 ( -7.129 0.000 -1.279) 7.243 2.503 ( 1.406 0.000 -2.027) 2.467 2.709 ( -11.706 0.000 -1.562) 11.810 2.819 ( -8.611 0.000 -1.351) 8.717 2.853 ( 1.310 0.000 20.096) 20.139 2.995 ( -3.737 0.000 2.295) 4.386 3.092 ( 4.462 0.000 25.596) 25.982 3.240 ( 0.209 0.000 -2.907) 2.915 3.482 ( -1.717 0.000 -8.328) 8.503 3.542 ( -1.902 0.000 3.554) 4.031 3.783 ( -3.636 0.000 2.292) 4.298 3.818 ( -13.598 0.000 -0.057) 13.598 3.920 ( 2.630 0.000 -5.121) 5.757 3.981 ( 3.245 0.000 6.417) 7.191 4.159 ( -3.005 0.000 -3.627) 4.710 4.176 ( 5.183 0.000 1.473) 5.389 4.460 ( -1.551 0.000 2.979) 3.359 4.875 ( 2.449 0.000 -3.167) 4.004 4.905 ( 2.591 0.000 4.873) 5.519 4.986 ( -3.546 0.000 -3.753) 5.163 5.071 ( -3.530 0.000 1.426) 3.807 5.197 ( -5.028 0.000 -4.087) 6.480 5.307 ( -4.730 0.000 -3.327) 5.783 5.403 ( 3.713 0.000 -1.926) 4.183 5.448 ( 4.993 0.000 -3.252) 5.958 6.018 ( 3.597 0.000 6.292) 7.247 6.167 ( -1.134 0.000 -1.953) 2.258 6.380 ( 12.493 0.000 1.321) 12.562 6.482 ( 1.396 0.000 -2.774) 3.106 6.710 ( 4.694 0.000 0.523) 4.723 6.743 ( -0.605 0.000 -2.474) 2.547 6.792 ( -1.137 0.000 4.498) 4.640 6.886 ( -3.548 0.000 -1.644) 3.910 7.000 ( -4.995 0.000 -1.359) 5.176 7.109 ( -2.130 0.000 4.497) 4.976 7.593 ( -6.579 0.000 -2.680) 7.104 7.629 ( 2.933 0.000 -8.590) 9.076 8.181 ( -0.774 0.000 1.848) 2.004 8.387 ( 3.831 0.000 -0.936) 3.944 8.428 ( 1.833 0.000 4.451) 4.814 8.558 ( 8.122 0.000 -8.677) 11.885 8.687 ( -0.650 0.000 -0.172) 0.672 8.880 ( -6.096 0.000 0.291) 6.103 9.063 ( -1.662 0.000 -1.394) 2.169 9.091 ( 0.150 0.000 -0.866) 0.879 9.820 ( 4.283 0.000 5.051) 6.623 9.967 ( -8.444 0.000 8.672) 12.104 10.012 ( -4.043 0.000 4.421) 5.991 10.536 ( -1.916 0.000 -0.842) 2.093 10.605 ( -0.143 0.000 -1.688) 1.694 10.645 ( 3.078 0.000 -1.868) 3.601 10.760 ( 0.818 0.000 0.475) 0.946 10.996 ( 3.949 0.000 -8.381) 9.265 11.166 ( 4.961 0.000 -2.248) 5.446 11.480 ( 3.156 0.000 -10.369) 10.839 11.816 ( -5.092 0.000 -0.017) 5.092 11.826 ( -7.695 0.000 -4.448) 8.888 12.007 ( -8.921 0.000 -5.733) 10.604 12.121 ( 5.916 0.000 -11.787) 13.188 12.130 ( 5.619 0.000 6.040) 8.250 12.614 ( 2.601 0.000 9.711) 10.054 12.782 ( -0.699 0.000 -4.495) 4.549 13.353 ( 0.932 0.000 -0.386) 1.009 13.361 ( -1.658 0.000 2.469) 2.974 13.522 ( 2.799 0.000 -4.771) 5.532 13.716 ( 3.101 0.000 3.827) 4.925 13.931 ( 6.214 0.000 -2.893) 6.855 14.437 ( -0.025 0.000 2.835) 2.835 14.707 ( -1.938 0.000 7.886) 8.121 14.890 ( 1.287 0.000 -11.836) 11.906 14.973 ( -0.151 0.000 -4.550) 4.552 16.028 ( -2.418 0.000 3.481) 4.238 16.189 ( -1.285 0.000 3.264) 3.508 16.232 ( -0.438 0.000 -1.576) 1.636 16.908 ( 1.691 0.000 -6.643) 6.855 19.729 ( -1.937 0.000 4.802) 5.177 19.856 ( -0.130 0.000 1.895) 1.899 20.046 ( -0.042 0.000 7.346) 7.346 20.452 ( 6.123 0.000 13.498) 14.822 21.600 ( -4.185 0.000 2.626) 4.941 21.768 ( -1.360 0.000 10.243) 10.332 21.843 ( -2.633 0.000 13.850) 14.098 22.213 ( -5.938 0.000 3.849) 7.076 22.487 ( 0.335 0.000 -0.845) 0.909 22.989 ( 4.406 0.000 -9.204) 10.204 23.188 ( -2.079 0.000 3.649) 4.200 23.360 ( 0.345 0.000 0.909) 0.973 23.942 ( -0.027 0.000 -1.427) 1.427 24.273 ( -0.174 0.000 -0.963) 0.979 24.432 ( 1.439 0.000 -10.188) 10.289 24.653 ( -2.088 0.000 -7.179) 7.476 ======================= Grid point 94 (44/104) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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| 1.573 ( -7.002 0.000 21.140) 22.270 1.789 ( -20.266 0.000 11.170) 23.140 1.963 ( 9.411 0.000 15.210) 17.886 2.048 ( -3.423 0.000 12.209) 12.680 2.278 ( 1.286 0.000 -4.541) 4.719 2.331 ( 9.281 0.000 -2.111) 9.518 2.443 ( -12.614 0.000 2.833) 12.929 2.523 ( 1.222 0.000 0.016) 1.222 2.692 ( -2.465 0.000 3.674) 4.425 2.902 ( -1.226 0.000 18.446) 18.487 2.978 ( 0.976 0.000 0.880) 1.314 3.203 ( -2.416 0.000 -3.462) 4.221 3.304 ( 5.362 0.000 19.425) 20.151 3.435 ( -0.367 0.000 -6.378) 6.389 3.505 ( -2.594 0.000 1.860) 3.192 3.690 ( 2.233 0.000 3.915) 4.507 3.730 ( -2.313 0.000 1.904) 2.996 3.974 ( 3.879 0.000 -7.957) 8.852 3.982 ( -1.723 0.000 8.720) 8.889 4.175 ( 5.807 0.000 -0.575) 5.835 4.337 ( 2.932 0.000 -0.499) 2.974 4.433 ( 1.944 0.000 0.636) 2.045 4.873 ( -3.617 0.000 -2.266) 4.268 4.896 ( -0.828 0.000 -1.124) 1.397 4.978 ( 0.847 0.000 -1.962) 2.137 5.014 ( -0.523 0.000 1.992) 2.060 5.154 ( 1.661 0.000 5.909) 6.138 5.202 ( -5.463 0.000 -5.173) 7.523 5.493 ( 0.731 0.000 -4.793) 4.848 5.496 ( 5.559 0.000 -0.775) 5.613 6.068 ( -0.301 0.000 6.698) 6.704 6.085 ( -6.471 0.000 -3.883) 7.547 6.480 ( 0.618 0.000 -2.226) 2.310 6.597 ( 9.551 0.000 -0.798) 9.584 6.704 ( -7.921 0.000 0.141) 7.922 6.736 ( -0.948 0.000 2.327) 2.513 6.779 ( -0.197 0.000 -1.682) 1.693 6.822 ( 0.150 0.000 0.728) 0.743 7.017 ( 6.058 0.000 0.135) 6.060 7.042 ( -6.296 0.000 3.752) 7.329 7.513 ( -0.891 0.000 -3.659) 3.766 7.665 ( 3.280 0.000 -10.337) 10.845 8.156 ( -2.657 0.000 2.443) 3.609 8.479 ( 6.640 0.000 -0.930) 6.704 8.516 ( 5.831 0.000 4.747) 7.519 8.638 ( -0.262 0.000 -8.139) 8.144 8.664 ( -1.266 0.000 -0.065) 1.268 8.802 ( -0.130 0.000 1.553) 1.558 9.076 ( 3.145 0.000 -1.683) 3.567 9.079 ( -0.715 0.000 -2.671) 2.765 9.827 ( -3.940 0.000 7.215) 8.220 9.893 ( -9.089 0.000 3.165) 9.625 10.004 ( 8.678 0.000 7.350) 11.372 10.516 ( 0.439 0.000 2.855) 2.888 10.548 ( -3.600 0.000 0.119) 3.602 10.763 ( 8.439 0.000 -1.148) 8.516 10.792 ( 2.237 0.000 0.513) 2.295 11.056 ( 4.290 0.000 -11.467) 12.243 11.254 ( 4.795 0.000 -2.399) 5.362 11.500 ( 1.258 0.000 -12.185) 12.250 11.622 ( -14.176 0.000 -3.006) 14.491 11.624 ( -11.159 0.000 -7.388) 13.383 11.871 ( -1.692 0.000 -1.845) 2.504 12.222 ( 6.521 0.000 -11.061) 12.840 12.279 ( 6.497 0.000 7.052) 9.589 12.704 ( -5.188 0.000 -4.538) 6.892 12.726 ( 5.321 0.000 11.680) 12.835 13.315 ( -3.683 0.000 1.431) 3.952 13.413 ( 4.656 0.000 1.338) 4.844 13.511 ( -2.459 0.000 -8.018) 8.387 13.763 ( 0.426 0.000 3.646) 3.670 14.025 ( 4.307 0.000 -1.989) 4.744 14.451 ( 0.830 0.000 3.735) 3.826 14.674 ( -2.687 0.000 6.780) 7.293 14.869 ( -0.845 0.000 -12.155) 12.184 14.953 ( -0.625 0.000 -5.404) 5.440 15.946 ( -6.286 0.000 0.500) 6.305 16.178 ( -1.736 0.000 8.811) 8.981 16.230 ( 0.650 0.000 -1.509) 1.643 16.920 ( 1.313 0.000 -6.411) 6.544 19.701 ( -2.102 0.000 4.575) 5.035 19.884 ( 2.224 0.000 1.474) 2.668 20.066 ( -0.011 0.000 7.483) 7.483 20.650 ( 12.118 0.000 12.536) 17.436 21.492 ( -8.442 0.000 1.103) 8.513 21.777 ( -0.539 0.000 10.607) 10.620 21.829 ( -2.618 0.000 13.577) 13.827 22.135 ( -4.104 0.000 5.722) 7.041 22.490 ( 0.107 0.000 -0.637) 0.646 22.999 ( -0.616 0.000 -10.632) 10.650 23.158 ( -1.945 0.000 5.415) 5.754 23.369 ( 0.278 0.000 0.860) 0.904 23.927 ( -1.016 0.000 -1.953) 2.201 24.281 ( 1.100 0.000 -0.525) 1.219 24.435 ( 1.705 0.000 -10.186) 10.328 24.605 ( -0.954 0.000 -6.711) 6.778 ======================= Grid point 95 (45/104) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -21.895 0.000 15.564) 26.863 1.412 ( -21.615 0.000 15.122) 26.379 1.841 ( -16.308 0.000 16.667) 23.318 2.050 ( -3.378 0.000 2.141) 3.999 2.339 ( 7.528 0.000 2.221) 7.848 2.425 ( 4.551 0.000 10.817) 11.736 2.529 ( 9.489 0.000 2.928) 9.930 2.569 ( 3.080 0.000 4.385) 5.359 2.794 ( 8.901 0.000 6.257) 10.880 2.922 ( -1.396 0.000 17.305) 17.361 3.049 ( 8.389 0.000 -1.063) 8.456 3.157 ( -1.554 0.000 -4.380) 4.647 3.304 ( -4.732 0.000 6.754) 8.247 3.444 ( 2.714 0.000 -4.322) 5.103 3.467 ( -1.695 0.000 0.379) 1.737 3.715 ( 0.096 0.000 2.687) 2.689 3.883 ( 10.492 0.000 8.715) 13.640 3.996 ( 0.688 0.000 9.791) 9.815 4.019 ( 4.908 0.000 -6.967) 8.522 4.219 ( -10.043 0.000 -3.427) 10.612 4.338 ( 10.278 0.000 -1.496) 10.386 4.500 ( -0.759 0.000 -0.157) 0.775 4.819 ( -1.421 0.000 -0.097) 1.424 4.856 ( -1.849 0.000 1.180) 2.194 4.995 ( 2.945 0.000 -6.980) 7.576 5.057 ( 1.273 0.000 3.118) 3.368 5.085 ( -3.781 0.000 -8.637) 9.429 5.263 ( 6.575 0.000 8.688) 10.895 5.467 ( -1.810 0.000 -3.663) 4.086 5.578 ( 3.082 0.000 1.442) 3.403 5.947 ( -6.512 0.000 -2.166) 6.863 6.043 ( -3.019 0.000 2.217) 3.745 6.489 ( -11.955 0.000 -0.066) 11.955 6.526 ( 3.538 0.000 3.533) 5.000 6.700 ( -2.470 0.000 -2.153) 3.277 6.713 ( 1.780 0.000 -3.244) 3.700 6.794 ( 2.155 0.000 0.079) 2.157 6.901 ( 7.155 0.000 2.460) 7.566 6.903 ( -9.137 0.000 2.404) 9.448 7.103 ( 1.618 0.000 0.241) 1.635 7.557 ( 6.816 0.000 -4.789) 8.331 7.680 ( 0.492 0.000 -8.025) 8.040 8.112 ( -1.760 0.000 0.338) 1.792 8.528 ( -7.777 0.000 -3.185) 8.404 8.572 ( -1.274 0.000 -2.385) 2.704 8.618 ( 8.317 0.000 -1.204) 8.404 8.707 ( 5.498 0.000 5.360) 7.678 8.828 ( 0.071 0.000 -4.033) 4.033 9.079 ( 1.800 0.000 -0.541) 1.880 9.157 ( 5.887 0.000 -1.250) 6.018 9.744 ( -6.341 0.000 0.806) 6.392 9.768 ( -4.598 0.000 6.248) 7.758 10.231 ( 12.820 0.000 1.779) 12.943 10.485 ( -3.169 0.000 -0.273) 3.180 10.631 ( 12.655 0.000 15.638) 20.117 10.835 ( 2.178 0.000 0.486) 2.231 10.946 ( 11.480 0.000 1.952) 11.645 11.056 ( -1.683 0.000 -12.676) 12.788 11.285 ( -2.626 0.000 -10.260) 10.591 11.363 ( -11.236 0.000 -1.929) 11.400 11.447 ( -3.746 0.000 1.099) 3.904 11.485 ( 0.569 0.000 -14.487) 14.498 11.874 ( 0.998 0.000 -0.373) 1.065 12.257 ( -0.832 0.000 -10.990) 11.022 12.413 ( 6.191 0.000 7.863) 10.008 12.625 ( -0.921 0.000 -5.802) 5.875 12.820 ( 0.853 0.000 11.220) 11.253 13.251 ( -2.852 0.000 1.008) 3.025 13.325 ( -13.313 0.000 -11.236) 17.421 13.538 ( 5.375 0.000 -0.576) 5.405 13.743 ( -3.263 0.000 3.056) 4.471 14.069 ( 0.992 0.000 -2.958) 3.120 14.483 ( 1.239 0.000 2.570) 2.853 14.653 ( -2.130 0.000 1.028) 2.365 14.799 ( -2.503 0.000 -6.499) 6.965 14.929 ( -0.384 0.000 -3.901) 3.920 15.838 ( -5.118 0.000 3.889) 6.428 16.163 ( -2.600 0.000 10.436) 10.755 16.246 ( 1.347 0.000 -1.769) 2.223 16.921 ( 0.551 0.000 -6.436) 6.460 19.684 ( -0.855 0.000 4.207) 4.293 19.933 ( 2.580 0.000 1.561) 3.015 20.077 ( -0.895 0.000 7.381) 7.435 20.950 ( 16.653 0.000 2.275) 16.807 21.299 ( -12.228 0.000 6.289) 13.750 21.798 ( -0.469 0.000 10.306) 10.316 21.819 ( -2.146 0.000 14.629) 14.786 22.099 ( -1.072 0.000 8.075) 8.146 22.488 ( -0.113 0.000 -0.577) 0.588 22.917 ( -5.242 0.000 -10.223) 11.489 23.147 ( -0.993 0.000 6.156) 6.236 23.372 ( -0.123 0.000 0.181) 0.218 23.905 ( -0.698 0.000 -1.525) 1.677 24.303 ( 1.249 0.000 -0.364) 1.301 24.441 ( 1.619 0.000 -9.857) 9.989 24.592 ( 1.569 0.000 -6.394) 6.584 ======================= Grid point 96 (46/104) ======================= q-point: (-0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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| 0.956 ( -21.341 0.000 18.439) 28.204 1.141 ( -12.005 0.000 22.704) 25.682 1.684 ( -7.677 0.000 29.695) 30.671 1.970 ( -3.328 0.000 -4.682) 5.745 2.479 ( 5.519 0.000 5.304) 7.654 2.512 ( 1.603 0.000 3.211) 3.589 2.660 ( 4.422 0.000 12.277) 13.049 2.673 ( 4.714 0.000 3.078) 5.630 2.915 ( 3.163 0.000 5.135) 6.031 2.932 ( -2.638 0.000 17.436) 17.634 3.114 ( -0.877 0.000 -10.760) 10.795 3.245 ( -4.012 0.000 12.474) 13.103 3.268 ( 11.560 0.000 -0.904) 11.595 3.456 ( 0.831 0.000 1.376) 1.607 3.508 ( 4.926 0.000 -5.225) 7.181 3.728 ( -1.904 0.000 0.427) 1.951 3.964 ( 0.137 0.000 -4.879) 4.881 4.036 ( -5.603 0.000 -2.410) 6.099 4.050 ( 2.815 0.000 8.607) 9.056 4.170 ( 8.221 0.000 4.037) 9.159 4.403 ( -7.528 0.000 2.190) 7.840 4.484 ( 6.106 0.000 -1.400) 6.264 4.809 ( -0.980 0.000 1.839) 2.084 4.819 ( -4.214 0.000 -6.307) 7.585 4.961 ( -3.583 0.000 -3.428) 4.959 5.053 ( 5.393 0.000 -9.244) 10.702 5.161 ( 7.500 0.000 2.783) 8.000 5.361 ( -2.924 0.000 6.659) 7.273 5.429 ( 2.533 0.000 -6.328) 6.816 5.609 ( -0.646 0.000 3.344) 3.406 5.892 ( 1.016 0.000 3.824) 3.957 5.980 ( -4.231 0.000 -1.194) 4.396 6.284 ( -9.804 0.000 -0.589) 9.822 6.540 ( -3.923 0.000 -3.738) 5.419 6.691 ( 2.262 0.000 6.625) 7.000 6.702 ( -1.423 0.000 -3.288) 3.582 6.771 ( -4.472 0.000 2.170) 4.971 6.864 ( 5.385 0.000 1.020) 5.481 7.033 ( 5.533 0.000 2.572) 6.102 7.083 ( -2.509 0.000 -1.603) 2.978 7.644 ( -2.117 0.000 -3.928) 4.462 7.704 ( 9.447 0.000 -5.426) 10.894 8.112 ( 2.044 0.000 -2.926) 3.569 8.372 ( -8.350 0.000 -0.581) 8.371 8.525 ( -2.164 0.000 -4.830) 5.292 8.692 ( -2.793 0.000 -7.718) 8.208 8.792 ( 1.310 0.000 4.231) 4.429 8.830 ( 5.276 0.000 -2.051) 5.661 9.112 ( 0.136 0.000 3.939) 3.941 9.270 ( 5.848 0.000 -0.705) 5.891 9.684 ( -5.837 0.000 4.241) 7.216 9.720 ( 4.480 0.000 -1.920) 4.874 10.412 ( 8.058 0.000 -5.550) 9.785 10.439 ( -1.423 0.000 -0.822) 1.643 10.847 ( -1.056 0.000 -1.430) 1.777 10.936 ( -7.020 0.000 -7.562) 10.318 11.038 ( 13.756 0.000 9.554) 16.748 11.145 ( -4.098 0.000 -9.724) 10.553 11.164 ( -0.900 0.000 9.651) 9.693 11.223 ( 8.132 0.000 -8.565) 11.811 11.481 ( 2.699 0.000 -16.210) 16.433 11.548 ( 15.545 0.000 11.296) 19.216 11.881 ( -0.150 0.000 0.149) 0.212 12.132 ( -7.947 0.000 -6.810) 10.466 12.523 ( 2.737 0.000 6.816) 7.345 12.620 ( -1.023 0.000 -9.327) 9.383 12.795 ( -5.886 0.000 8.603) 10.424 12.977 ( -16.266 0.000 -8.967) 18.573 13.242 ( 1.502 0.000 2.514) 2.928 13.610 ( 2.464 0.000 -2.218) 3.316 13.680 ( -3.825 0.000 2.564) 4.605 14.029 ( -4.841 0.000 -6.389) 8.016 14.487 ( -1.189 0.000 -0.294) 1.225 14.558 ( -4.781 0.000 0.355) 4.795 14.826 ( 4.588 0.000 0.207) 4.593 14.932 ( 1.442 0.000 -0.998) 1.754 15.814 ( 1.396 0.000 8.281) 8.398 16.142 ( -2.337 0.000 10.614) 10.868 16.263 ( 0.914 0.000 -2.056) 2.250 16.910 ( 0.164 0.000 -6.702) 6.704 19.692 ( 0.548 0.000 4.040) 4.077 19.977 ( 1.511 0.000 1.265) 1.971 20.070 ( -1.805 0.000 7.175) 7.398 20.875 ( -19.622 0.000 -10.412) 22.213 21.415 ( 15.645 0.000 11.799) 19.595 21.798 ( -2.052 0.000 10.651) 10.847 21.835 ( -0.849 0.000 14.946) 14.970 22.189 ( 10.638 0.000 8.959) 13.908 22.484 ( -0.112 0.000 -0.727) 0.736 22.764 ( -8.689 0.000 -7.075) 11.206 23.152 ( -0.340 0.000 7.370) 7.378 23.366 ( -0.445 0.000 -0.449) 0.632 23.899 ( 0.370 0.000 -0.682) 0.776 24.318 ( 0.357 0.000 -0.533) 0.642 24.442 ( 1.236 0.000 -9.650) 9.728 24.636 ( 4.916 0.000 -6.831) 8.416 ======================= Grid point 97 (47/104) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 6.256 15.668 19.835) 26.040 1.238 ( -1.276 11.604 22.554) 25.396 1.992 ( 0.210 5.423 -7.228) 9.039 2.074 ( 0.492 29.606 24.374) 38.351 2.541 ( -1.750 4.286 1.614) 4.902 2.636 ( -2.771 0.365 14.817) 15.078 2.680 ( -3.118 9.248 3.601) 10.403 2.771 ( 4.735 -5.205 -3.705) 7.952 2.871 ( 0.905 -0.997 2.024) 2.431 2.981 ( -1.815 5.922 11.563) 13.117 3.107 ( -5.497 -0.765 9.230) 10.770 3.234 ( -1.408 1.045 5.082) 5.376 3.431 ( -3.539 1.465 -6.137) 7.234 3.488 ( 1.422 2.588 -0.190) 2.959 3.560 ( 4.884 2.367 -0.343) 5.438 3.710 ( -1.213 2.993 1.551) 3.583 3.810 ( -5.954 -0.419 -6.437) 8.778 4.044 ( -4.979 -0.317 1.518) 5.215 4.155 ( 2.876 -1.100 6.214) 6.935 4.263 ( -2.371 -0.183 4.840) 5.393 4.391 ( 9.912 4.604 0.767) 10.956 4.484 ( -6.437 0.220 -1.323) 6.575 4.765 ( 2.702 2.185 -5.086) 6.160 4.845 ( -2.383 3.922 4.391) 6.352 4.967 ( 1.073 3.565 -1.127) 3.890 5.113 ( 6.323 -1.425 -6.391) 9.103 5.159 ( -3.428 -7.050 2.745) 8.306 5.381 ( 3.517 4.676 -1.588) 6.063 5.429 ( -0.760 -3.111 -1.813) 3.680 5.538 ( -1.680 -1.199 2.331) 3.113 5.837 ( -1.741 -5.344 -0.256) 5.627 6.040 ( 3.438 1.937 1.074) 4.090 6.126 ( -1.960 -0.185 1.395) 2.412 6.424 ( -1.360 -2.506 -1.988) 3.476 6.618 ( -2.305 -5.416 0.900) 5.955 6.667 ( 0.126 -5.583 5.315) 7.710 6.825 ( 0.255 5.943 -2.617) 6.499 6.916 ( 2.640 -2.859 0.973) 4.011 7.005 ( -1.936 -1.187 0.647) 2.361 7.224 ( 3.288 3.581 -2.327) 5.390 7.659 ( -0.191 4.934 -2.822) 5.687 7.826 ( 0.716 0.593 -2.953) 3.096 8.180 ( 3.866 2.948 -4.647) 6.725 8.273 ( -2.633 1.133 0.644) 2.938 8.401 ( -1.970 -4.954 -4.868) 7.219 8.608 ( -5.190 1.216 -8.146) 9.735 8.736 ( -3.723 -2.792 3.660) 5.920 8.940 ( 3.046 -1.322 -1.232) 3.541 9.133 ( -0.916 3.310 3.992) 5.266 9.282 ( -3.403 -0.672 1.423) 3.749 9.592 ( 1.522 -3.386 0.281) 3.723 9.851 ( 8.661 -1.103 -1.260) 8.821 10.231 ( -6.184 -11.409 6.116) 14.346 10.523 ( 6.303 0.105 -4.648) 7.832 10.773 ( -7.232 0.177 -6.546) 9.756 10.778 ( -7.453 -0.158 -3.126) 8.083 10.849 ( -10.677 -2.424 2.090) 11.146 11.003 ( -1.540 -2.664 -3.850) 4.928 11.136 ( 1.267 0.895 -2.572) 3.004 11.424 ( 0.400 -4.634 -13.855) 14.615 11.470 ( 18.020 -2.882 4.127) 18.710 11.777 ( 4.766 -4.897 5.117) 8.537 11.815 ( 0.335 1.671 4.941) 5.227 12.322 ( -9.309 -2.958 -6.905) 11.962 12.457 ( 10.029 3.818 -3.026) 11.150 12.509 ( -7.355 -0.542 -0.834) 7.422 12.767 ( -0.722 3.492 1.370) 3.820 12.814 ( 7.382 -6.878 4.050) 10.872 13.440 ( 0.348 1.714 -2.472) 3.028 13.530 ( 1.596 -6.138 -0.119) 6.343 13.670 ( -2.240 4.488 -1.840) 5.343 13.860 ( -5.626 -2.453 -5.144) 8.008 14.390 ( 5.463 0.297 2.986) 6.233 14.744 ( 0.328 3.825 7.986) 8.861 14.837 ( -2.269 9.484 -6.319) 11.621 15.209 ( 3.601 12.678 -8.747) 15.818 15.895 ( 4.302 -1.751 7.180) 8.551 16.101 ( -1.064 -3.233 6.729) 7.541 16.328 ( 0.111 4.718 -2.023) 5.135 16.881 ( 1.793 -1.931 -7.099) 7.572 19.714 ( 0.793 -0.283 4.973) 5.043 19.966 ( -2.672 -1.478 2.621) 4.024 20.075 ( -1.603 2.646 4.488) 5.451 20.486 ( -11.603 -0.972 7.070) 13.622 21.473 ( 5.128 -10.799 7.692) 14.215 21.710 ( 0.692 -23.946 16.089) 28.857 21.842 ( -0.910 0.635 11.118) 11.174 21.870 ( -1.483 -0.843 12.119) 12.238 22.571 ( -0.969 -5.555 -0.837) 5.700 22.769 ( 2.163 -0.259 -4.456) 4.960 23.405 ( 0.098 4.984 0.074) 4.986 23.429 ( -0.310 12.691 -2.138) 12.873 24.002 ( 0.076 5.576 -6.036) 8.218 24.338 ( 2.543 -0.563 -3.891) 4.682 24.523 ( 1.319 10.324 -8.817) 13.641 24.761 ( 2.210 5.178 -9.672) 11.192 ======================= Grid point 98 (48/104) ======================= q-point: ( 0.17 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 12.096 5.923 22.681) 26.379 1.393 ( 9.059 8.837 19.764) 23.468 2.008 ( 3.576 5.947 -4.940) 8.518 2.168 ( 1.406 21.416 17.082) 27.430 2.473 ( -9.457 2.688 2.424) 10.126 2.500 ( -8.540 1.327 1.005) 8.701 2.692 ( 1.174 10.792 12.796) 16.780 2.829 ( 1.397 -1.215 -4.399) 4.773 2.868 ( -1.610 -0.967 6.233) 6.510 2.961 ( -3.352 4.395 2.166) 5.937 3.038 ( -3.503 5.352 19.789) 20.797 3.189 ( -9.926 -0.814 9.387) 13.686 3.264 ( -3.575 7.315 -9.391) 12.429 3.534 ( 0.685 1.184 -2.855) 3.166 3.612 ( 3.321 3.167 -0.683) 4.639 3.741 ( 1.165 -7.427 -3.327) 8.222 3.749 ( 0.963 2.709 4.104) 5.011 3.957 ( -3.540 -1.837 -0.166) 3.992 4.146 ( -9.970 3.001 2.664) 10.747 4.201 ( -2.188 0.145 7.659) 7.967 4.323 ( -6.462 3.858 -3.780) 8.422 4.545 ( 2.959 6.751 0.944) 7.432 4.796 ( -0.274 1.217 -0.192) 1.262 4.848 ( 4.418 -0.155 -0.420) 4.441 4.948 ( -2.922 -0.377 3.237) 4.377 5.143 ( 1.695 -1.994 -4.115) 4.877 5.229 ( 4.549 -0.019 -4.989) 6.752 5.369 ( -2.665 -1.224 -1.650) 3.365 5.406 ( -0.515 2.911 -3.859) 4.861 5.491 ( -3.197 2.567 2.648) 4.881 5.870 ( 4.439 -5.252 2.869) 7.451 6.095 ( 4.004 -5.557 -2.354) 7.243 6.189 ( 5.502 3.295 4.387) 7.770 6.432 ( 3.290 -1.085 -1.334) 3.712 6.607 ( 0.883 -5.464 -0.444) 5.552 6.657 ( -2.008 -6.835 2.436) 7.529 6.805 ( -2.164 2.637 -0.757) 3.494 6.925 ( -0.552 -3.644 -0.080) 3.686 7.007 ( -0.154 -0.550 3.606) 3.651 7.244 ( -0.381 3.521 -3.150) 4.740 7.650 ( -0.353 4.428 -4.505) 6.326 7.762 ( -5.462 1.645 -2.328) 6.161 8.189 ( -1.268 0.610 -0.107) 1.411 8.321 ( 5.469 1.211 -1.242) 5.737 8.369 ( -0.040 -3.658 -2.543) 4.455 8.528 ( -0.693 1.659 -5.958) 6.223 8.678 ( -2.387 -2.254 1.938) 3.812 8.944 ( -2.412 -2.586 -0.742) 3.614 9.121 ( -1.816 3.677 0.977) 4.216 9.186 ( -4.327 2.782 1.055) 5.251 9.668 ( 5.050 -4.074 1.220) 6.602 9.982 ( 3.722 -1.951 2.008) 4.657 10.107 ( -7.642 -5.399 8.507) 12.645 10.559 ( -5.124 -0.073 -3.209) 6.046 10.626 ( 2.528 4.915 -6.449) 8.494 10.691 ( -3.813 -0.644 -1.196) 4.048 10.753 ( -1.913 -1.071 -0.642) 2.284 10.970 ( -0.810 -1.649 -4.231) 4.613 11.147 ( 1.585 3.971 -2.394) 4.900 11.405 ( 1.325 -5.112 -10.410) 11.673 11.776 ( 10.999 -4.277 2.034) 11.975 11.824 ( 2.514 -3.576 5.029) 6.663 11.869 ( 4.752 1.437 2.301) 5.471 12.122 ( -9.259 -4.006 -8.995) 13.516 12.318 ( -11.314 -1.221 -3.828) 12.006 12.563 ( 1.324 0.180 1.510) 2.016 12.805 ( 2.924 3.706 -2.415) 5.303 12.994 ( 8.127 -11.463 4.132) 14.647 13.412 ( -3.121 -2.797 -0.236) 4.198 13.572 ( 2.940 -2.296 -1.403) 3.985 13.678 ( 3.745 4.052 -0.868) 5.585 13.804 ( 0.548 -3.032 -3.267) 4.491 14.504 ( 5.494 5.270 0.592) 7.636 14.730 ( -3.245 -3.564 4.157) 6.365 14.835 ( 2.959 12.448 -3.653) 13.306 15.235 ( 1.581 13.419 -7.848) 15.626 15.961 ( 1.014 -4.014 6.152) 7.415 16.104 ( -0.541 -6.226 3.227) 7.034 16.315 ( -0.871 4.879 -1.428) 5.158 16.910 ( 3.036 -0.001 -8.184) 8.729 19.737 ( 0.098 -0.169 5.086) 5.090 19.898 ( -4.432 -0.234 3.616) 5.725 20.063 ( -0.961 2.801 4.837) 5.671 20.396 ( -1.446 2.301 11.428) 11.747 21.512 ( -1.241 -8.999 5.362) 10.549 21.757 ( -0.826 -19.720 14.673) 24.594 21.837 ( -2.214 2.562 9.849) 10.415 21.900 ( 0.797 -7.911 10.925) 13.513 22.557 ( -0.184 -3.104 -0.769) 3.204 22.798 ( 1.967 -5.867 -4.929) 7.911 23.396 ( -1.245 7.738 -0.517) 7.855 23.422 ( 0.344 8.778 -0.610) 8.806 23.987 ( -0.268 3.610 -3.544) 5.066 24.349 ( 0.046 0.507 -5.167) 5.192 24.527 ( 1.517 11.064 -8.818) 14.229 24.746 ( -0.974 4.321 -8.844) 9.891 ======================= Grid point 99 (49/104) ======================= q-point: ( 0.33 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 5.490 3.872 21.508) 22.533 1.603 ( 16.799 1.997 17.941) 24.659 2.090 ( 0.388 3.702 -1.222) 3.917 2.141 ( -9.606 5.637 11.051) 15.691 2.220 ( -7.058 4.566 5.509) 10.050 2.413 ( -3.065 5.747 -4.216) 7.759 2.705 ( -3.141 7.494 1.758) 8.314 2.753 ( -7.239 2.390 0.494) 7.639 2.873 ( -5.243 10.183 0.047) 11.453 2.921 ( 2.041 -2.114 1.839) 3.467 3.008 ( -4.781 9.558 16.120) 19.341 3.141 ( 4.632 2.101 14.803) 15.652 3.261 ( 2.724 5.811 2.790) 6.998 3.502 ( -1.609 1.650 -7.473) 7.820 3.658 ( -0.445 9.219 2.758) 9.633 3.715 ( -1.802 -5.051 -2.088) 5.755 3.825 ( 2.624 -6.239 6.437) 9.340 3.908 ( -6.476 5.001 4.719) 9.445 3.937 ( -4.192 -3.588 -0.893) 5.590 4.107 ( -8.205 2.920 1.875) 8.908 4.290 ( 3.421 3.789 -3.799) 6.364 4.600 ( 3.401 9.849 2.973) 10.836 4.784 ( -3.557 -5.023 0.857) 6.214 4.850 ( 1.186 -3.907 0.051) 4.084 4.992 ( 3.126 4.841 4.358) 7.225 5.125 ( -3.676 0.300 -2.604) 4.515 5.166 ( -5.269 -2.160 -3.959) 6.935 5.357 ( -1.283 2.498 -9.238) 9.655 5.423 ( 2.971 0.809 -1.123) 3.277 5.463 ( 0.566 3.501 2.391) 4.277 5.957 ( 2.722 -5.608 6.526) 9.025 6.165 ( 1.973 -2.146 -2.886) 4.102 6.286 ( 4.849 -4.655 1.170) 6.823 6.536 ( 6.676 1.797 -0.730) 6.952 6.627 ( 0.561 -6.841 -1.213) 6.970 6.654 ( 3.144 -5.218 2.200) 6.477 6.747 ( -3.539 -2.195 0.528) 4.197 6.929 ( 1.082 -0.133 0.543) 1.218 6.969 ( -4.673 -0.795 0.790) 4.806 7.198 ( -4.114 4.250 0.902) 5.983 7.605 ( -3.174 3.084 -3.815) 5.843 7.687 ( -0.398 3.545 -6.412) 7.337 8.172 ( -0.802 -0.819 3.344) 3.535 8.372 ( 2.628 -2.214 -1.489) 3.745 8.422 ( 4.168 0.663 0.810) 4.298 8.572 ( 6.073 0.759 -6.024) 8.588 8.651 ( -1.789 -3.085 1.109) 3.735 8.874 ( -4.040 -1.044 -0.834) 4.255 9.074 ( -1.548 1.927 -2.095) 3.240 9.159 ( -0.551 5.101 0.315) 5.141 9.757 ( 3.684 -5.271 3.780) 7.460 9.954 ( -3.911 0.841 4.627) 6.117 10.054 ( -3.756 1.457 6.554) 7.693 10.470 ( -3.373 -3.865 -2.476) 5.696 10.626 ( -2.869 0.321 0.060) 2.887 10.683 ( 4.400 2.192 -7.199) 8.717 10.752 ( 1.633 0.193 -0.163) 1.653 10.971 ( 2.692 -1.712 -5.836) 6.651 11.194 ( 4.067 2.141 -3.327) 5.674 11.422 ( 2.583 -5.099 -8.420) 10.177 11.767 ( -4.977 -3.307 0.708) 6.017 11.835 ( -9.038 -0.845 -5.162) 10.443 11.957 ( -4.615 -4.370 -7.244) 9.637 12.035 ( 7.428 -1.558 1.325) 7.704 12.184 ( 1.328 -1.352 -0.609) 1.991 12.602 ( 2.294 -0.797 7.552) 7.933 12.809 ( -1.459 2.154 -3.912) 4.698 13.092 ( 2.371 -11.958 2.352) 12.416 13.371 ( -0.513 -1.060 0.666) 1.353 13.620 ( 2.395 -0.006 -2.818) 3.698 13.746 ( 2.867 2.402 -0.003) 3.740 13.850 ( 4.472 -4.966 -1.082) 6.769 14.544 ( -2.928 4.901 4.193) 7.084 14.708 ( 1.853 -0.939 -1.455) 2.536 14.888 ( 3.364 11.667 -3.547) 12.649 15.226 ( -0.308 14.051 -8.422) 16.385 15.954 ( -3.310 -5.695 2.150) 6.929 16.104 ( -0.107 -6.081 5.997) 8.542 16.295 ( -0.904 4.702 -0.339) 4.800 16.936 ( 1.996 1.216 -8.332) 8.654 19.733 ( -2.038 0.303 5.360) 5.743 19.861 ( -0.417 -0.216 3.982) 4.010 20.066 ( -0.061 2.575 4.875) 5.514 20.455 ( 4.160 0.182 11.209) 11.957 21.480 ( -3.734 -9.069 5.306) 11.151 21.756 ( -2.689 -13.639 12.657) 18.800 21.819 ( -2.511 1.519 10.692) 11.087 21.929 ( -0.598 -7.582 9.417) 12.105 22.562 ( 0.846 -0.109 -0.465) 0.972 22.809 ( 0.684 -12.025 -6.261) 13.575 23.369 ( -1.306 11.641 0.217) 11.716 23.433 ( 0.581 5.387 0.843) 5.483 23.976 ( -0.080 2.853 -2.446) 3.759 24.322 ( -1.320 0.661 -4.838) 5.058 24.534 ( 1.765 10.421 -8.951) 13.850 24.701 ( -1.299 4.963 -7.747) 9.292 ======================= Grid point 100 (50/104) ======================= q-point: (-0.50 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -10.791 -0.894 18.335) 21.293 1.700 ( -19.695 2.762 10.633) 22.552 1.991 ( 15.040 0.422 15.552) 21.639 2.183 ( -1.948 9.519 10.631) 14.403 2.298 ( 11.506 -0.460 -5.080) 12.586 2.354 ( -1.967 7.734 -1.930) 8.210 2.610 ( -7.389 5.961 1.836) 9.669 2.688 ( 2.600 6.731 1.476) 7.365 2.766 ( -6.536 15.776 2.761) 17.298 2.930 ( -1.068 -2.009 5.065) 5.553 3.009 ( 0.264 7.217 12.585) 14.510 3.196 ( 1.690 1.028 -5.479) 5.825 3.375 ( 0.754 5.398 9.660) 11.091 3.476 ( 0.804 3.800 0.092) 3.885 3.599 ( -6.906 5.430 1.589) 8.927 3.667 ( -1.519 -0.960 0.658) 1.913 3.749 ( 0.119 2.155 7.150) 7.469 3.935 ( 2.354 -6.968 -0.391) 7.365 4.000 ( 0.136 2.452 8.759) 9.097 4.052 ( 8.243 -0.042 -2.013) 8.486 4.334 ( 0.993 0.299 -1.386) 1.731 4.626 ( -2.371 2.084 -3.779) 4.924 4.753 ( 1.276 3.580 3.681) 5.291 4.914 ( 4.935 -1.622 -0.044) 5.195 5.007 ( -2.539 2.777 0.002) 3.763 5.041 ( -2.665 0.488 -2.179) 3.477 5.127 ( 1.352 0.033 5.315) 5.484 5.274 ( -4.810 4.156 -7.566) 9.882 5.442 ( -0.305 -3.024 -1.437) 3.362 5.509 ( 2.652 0.834 0.134) 2.783 5.981 ( -1.855 -6.890 5.358) 8.923 6.123 ( -4.456 1.264 -3.240) 5.652 6.371 ( 4.124 -6.757 0.669) 7.944 6.599 ( -2.290 -5.415 0.296) 5.887 6.629 ( -2.388 -5.657 1.668) 6.363 6.689 ( 2.963 2.272 -1.504) 4.025 6.791 ( 7.444 -2.359 1.140) 7.891 6.868 ( -4.482 2.833 -1.820) 5.606 6.967 ( 1.412 -0.818 2.860) 3.293 7.117 ( -3.996 2.516 1.203) 4.873 7.567 ( 0.824 4.775 -3.140) 5.774 7.691 ( 2.130 2.314 -9.178) 9.702 8.164 ( -1.493 0.215 3.654) 3.953 8.437 ( 4.085 -3.216 -1.186) 5.333 8.510 ( 5.263 -0.061 2.238) 5.719 8.604 ( -3.342 -2.878 -1.177) 4.564 8.654 ( 3.337 -2.065 -4.322) 5.837 8.832 ( 0.367 1.698 -0.210) 1.750 9.074 ( 1.811 1.818 -1.815) 3.143 9.149 ( -0.173 4.666 -1.237) 4.830 9.782 ( -3.085 -4.738 4.857) 7.454 9.933 ( -6.302 1.823 2.327) 6.961 9.992 ( 4.123 2.114 7.681) 8.970 10.413 ( -2.853 -6.379 -0.074) 6.988 10.594 ( 0.018 1.304 0.360) 1.353 10.751 ( 4.533 -1.081 -4.467) 6.455 10.818 ( 6.033 1.910 -0.952) 6.399 11.019 ( 3.332 -2.449 -7.798) 8.827 11.262 ( 3.875 0.714 -3.509) 5.276 11.409 ( -2.971 -7.606 -9.364) 12.424 11.593 ( -10.697 -1.658 -3.454) 11.362 11.666 ( -8.192 2.486 -7.259) 11.224 11.836 ( -3.367 -2.911 -1.950) 4.860 12.190 ( 8.667 -2.319 -5.266) 10.403 12.273 ( 5.502 -1.809 4.915) 7.596 12.622 ( -3.932 -5.788 6.539) 9.576 12.802 ( 3.035 4.807 -0.579) 5.715 13.097 ( -2.645 -10.781 1.480) 11.198 13.401 ( 3.061 -1.671 1.208) 3.691 13.626 ( -0.936 1.940 -5.601) 6.001 13.781 ( 0.779 1.810 0.599) 2.059 13.937 ( 4.837 -4.800 0.192) 6.817 14.458 ( -6.261 -0.330 5.204) 8.148 14.753 ( 2.093 2.471 -2.428) 4.048 14.935 ( 3.030 14.911 -4.232) 15.793 15.181 ( -2.073 13.170 -9.695) 16.484 15.868 ( -5.756 -5.698 1.719) 8.280 16.127 ( 0.205 -3.792 8.065) 8.914 16.286 ( 0.028 4.328 -0.031) 4.328 16.938 ( 0.422 0.702 -7.756) 7.800 19.702 ( -2.369 0.251 5.425) 5.925 19.888 ( 1.833 -0.495 3.495) 3.977 20.082 ( 0.249 2.206 5.043) 5.511 20.592 ( 7.696 -4.961 9.659) 13.309 21.396 ( -7.134 -7.545 5.779) 11.883 21.733 ( -2.978 -12.176 11.309) 16.883 21.804 ( -2.105 0.029 12.043) 12.226 21.927 ( -2.059 -4.096 9.345) 10.409 22.580 ( 1.010 2.194 0.040) 2.415 22.793 ( -0.399 -14.607 -7.285) 16.328 23.359 ( 0.119 13.616 1.089) 13.660 23.443 ( 0.160 4.807 1.107) 4.936 23.972 ( 0.460 3.639 -2.812) 4.621 24.287 ( -1.073 -0.502 -4.016) 4.187 24.542 ( 1.420 9.202 -9.026) 12.968 24.671 ( 0.425 6.406 -7.471) 9.850 ======================= Grid point 101 (51/104) ======================= q-point: (-0.33 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( -23.086 -2.153 13.774) 26.969 1.529 ( -12.282 10.073 20.137) 25.648 2.113 ( -5.848 6.952 -0.945) 9.133 2.223 ( -1.805 16.257 11.426) 19.953 2.338 ( 5.181 5.408 3.963) 8.473 2.502 ( 6.698 4.376 -0.538) 8.018 2.552 ( 4.682 5.047 8.666) 11.068 2.691 ( -1.530 9.515 5.708) 11.201 2.780 ( 4.289 2.932 1.886) 5.527 2.934 ( -0.652 -0.918 12.949) 12.998 3.093 ( 5.854 3.092 4.434) 7.968 3.232 ( 3.973 6.700 -6.439) 10.107 3.346 ( -3.087 3.950 4.563) 6.779 3.462 ( -1.477 2.538 1.091) 3.133 3.501 ( -2.421 -0.349 0.176) 2.453 3.668 ( 0.598 -1.153 2.321) 2.660 3.871 ( 6.708 -3.231 8.203) 11.078 3.984 ( 2.919 -2.848 -2.017) 4.550 4.030 ( 2.868 3.553 7.901) 9.125 4.196 ( 2.670 2.572 -5.243) 6.422 4.356 ( 4.091 -0.388 5.746) 7.064 4.531 ( -5.869 -0.669 -5.994) 8.415 4.792 ( 1.199 3.244 3.596) 4.990 4.935 ( -4.021 4.539 -1.499) 6.246 4.969 ( 0.337 -1.433 -6.147) 6.321 5.061 ( 4.568 -0.483 -1.335) 4.784 5.163 ( -4.541 5.590 -3.931) 8.205 5.217 ( 5.296 -2.991 9.960) 11.670 5.424 ( -0.793 -2.449 -2.067) 3.302 5.539 ( 0.579 -2.476 0.317) 2.562 5.935 ( -3.362 -5.791 2.209) 7.051 6.037 ( -3.463 3.095 -1.540) 4.894 6.416 ( -5.533 -5.893 0.774) 8.121 6.473 ( -2.994 -4.955 2.443) 6.283 6.606 ( -0.882 -4.386 1.568) 4.740 6.753 ( 2.511 0.167 -0.204) 2.525 6.820 ( 0.111 2.635 -3.097) 4.068 6.856 ( -4.125 -1.240 0.063) 4.308 7.007 ( 6.118 4.398 2.407) 7.910 7.091 ( -0.471 -1.412 -0.064) 1.490 7.626 ( 6.258 5.319 -3.919) 9.100 7.700 ( 0.945 2.311 -7.427) 7.835 8.137 ( -1.622 1.923 1.231) 2.800 8.457 ( -2.548 -4.971 -1.380) 5.754 8.526 ( -3.772 -1.588 -4.048) 5.757 8.627 ( 6.702 -1.733 2.171) 7.255 8.716 ( 4.431 -1.527 -0.089) 4.688 8.852 ( 0.725 1.247 -3.031) 3.357 9.110 ( 2.060 4.236 -0.173) 4.714 9.171 ( 3.274 1.131 -0.268) 3.475 9.700 ( -5.535 -4.124 1.795) 7.132 9.802 ( -6.539 2.568 3.070) 7.667 10.184 ( 11.573 -2.890 6.745) 13.703 10.363 ( -2.450 -7.540 -0.095) 7.929 10.665 ( 8.208 1.414 6.534) 10.586 10.825 ( 4.319 -0.364 -1.257) 4.513 10.947 ( 6.649 -3.261 -7.678) 10.668 11.022 ( -0.291 -0.195 -2.509) 2.534 11.253 ( -5.069 -3.850 -11.512) 13.154 11.340 ( -0.384 -2.070 -1.831) 2.790 11.392 ( -8.731 -1.698 -3.558) 9.579 11.546 ( -1.873 2.696 -7.472) 8.162 11.813 ( -0.301 -3.670 0.665) 3.742 12.299 ( 4.552 2.245 -8.784) 10.145 12.398 ( 5.851 -2.100 8.571) 10.588 12.556 ( -2.041 -5.439 0.950) 5.886 12.851 ( -0.211 1.882 3.088) 3.622 13.004 ( -7.515 -9.216 -0.110) 11.892 13.462 ( 2.561 -3.698 1.279) 4.677 13.558 ( -4.026 4.246 -7.996) 9.908 13.774 ( -1.620 2.908 -0.136) 3.332 14.011 ( 2.691 -3.560 -1.909) 4.854 14.370 ( -4.564 -3.523 4.845) 7.531 14.745 ( -2.238 2.542 -0.202) 3.393 14.974 ( 1.190 16.881 -4.613) 17.540 15.121 ( -0.138 12.092 -11.058) 16.386 15.787 ( -3.253 -3.184 5.810) 7.380 16.138 ( -1.624 -1.993 8.997) 9.357 16.297 ( 1.315 4.105 -1.231) 4.483 16.915 ( -0.669 -0.930 -7.113) 7.204 19.683 ( -1.073 0.111 5.122) 5.235 19.934 ( 1.985 -0.874 3.576) 4.183 20.095 ( -0.344 2.241 4.900) 5.399 20.761 ( 7.247 -14.426 2.620) 16.355 21.262 ( -8.207 -2.838 11.751) 14.611 21.709 ( -2.925 -13.633 11.774) 18.250 21.806 ( -1.176 -0.627 12.856) 12.925 21.907 ( -2.745 -0.939 9.879) 10.296 22.593 ( 0.257 1.085 0.140) 1.124 22.766 ( -0.343 -10.730 -6.938) 12.782 23.375 ( 1.222 14.320 0.757) 14.392 23.443 ( -0.304 5.061 0.392) 5.085 23.983 ( 1.778 5.895 -4.539) 7.649 24.269 ( 0.220 -2.206 -2.582) 3.403 24.537 ( 0.629 8.242 -9.061) 12.264 24.682 ( 2.689 7.705 -7.532) 11.105 ======================= Grid point 102 (52/104) ======================= q-point: (-0.17 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -6.864 9.136 19.700) 22.774 1.337 ( -12.944 14.077 19.400) 27.241 2.022 ( -2.732 7.853 -3.008) 8.842 2.097 ( -8.613 28.217 17.217) 34.159 2.499 ( 6.332 1.937 4.501) 8.006 2.588 ( 2.612 4.638 9.122) 10.562 2.684 ( 5.158 0.619 1.847) 5.513 2.706 ( 0.071 6.120 6.241) 8.741 2.840 ( 2.446 -1.995 -0.863) 3.273 2.966 ( -0.295 2.114 15.490) 15.637 3.153 ( -0.288 -0.040 -1.940) 1.962 3.247 ( -1.795 1.589 6.343) 6.781 3.397 ( 5.411 7.791 2.167) 9.730 3.460 ( 2.382 1.776 -1.836) 3.493 3.499 ( 1.024 -1.940 -1.723) 2.789 3.709 ( 2.196 -0.733 2.130) 3.146 3.961 ( -4.137 -0.100 -3.050) 5.141 4.016 ( 4.112 -1.759 6.915) 8.236 4.079 ( 2.662 2.981 2.313) 4.618 4.231 ( 4.815 5.915 -1.217) 7.723 4.359 ( -7.056 -3.556 0.167) 7.903 4.497 ( 3.800 2.361 2.157) 4.966 4.816 ( -1.350 0.838 1.624) 2.272 4.847 ( -3.379 1.236 -3.652) 5.127 4.950 ( 0.878 -1.781 -3.462) 3.991 5.078 ( -0.285 2.998 -6.457) 7.125 5.167 ( 2.521 -0.472 4.796) 5.438 5.325 ( 2.768 -2.661 5.674) 6.851 5.414 ( 1.325 0.093 -3.727) 3.957 5.543 ( -0.019 -3.120 0.772) 3.214 5.890 ( -2.588 -5.494 0.832) 6.130 5.998 ( -0.283 5.489 1.207) 5.627 6.238 ( -9.253 -3.391 -0.503) 9.868 6.464 ( -1.756 -6.011 -0.277) 6.269 6.629 ( 1.916 -3.233 4.934) 6.202 6.698 ( -6.529 -4.107 1.687) 7.896 6.816 ( 0.765 2.041 -1.006) 2.401 6.854 ( 3.577 3.667 -2.843) 5.859 7.057 ( -2.777 -2.615 -0.563) 3.856 7.139 ( 6.235 4.697 0.366) 7.814 7.680 ( -0.820 3.473 -3.896) 5.284 7.752 ( 7.074 3.639 -3.934) 8.875 8.132 ( 1.572 2.243 -2.435) 3.665 8.364 ( -5.993 -0.766 -0.793) 6.094 8.457 ( -2.653 -4.192 -5.220) 7.202 8.718 ( -2.497 -1.988 -2.220) 3.888 8.745 ( 2.000 -0.097 -1.358) 2.420 8.872 ( 3.429 -0.101 -0.998) 3.573 9.135 ( -0.166 2.862 4.100) 5.003 9.252 ( 4.782 -0.868 0.072) 4.861 9.628 ( -3.576 -4.296 1.135) 5.704 9.741 ( 1.450 1.423 -0.747) 2.165 10.299 ( -3.130 -10.498 6.539) 12.758 10.398 ( 8.658 -1.322 -5.911) 10.567 10.856 ( 1.193 0.653 -0.733) 1.545 10.889 ( -4.809 -4.310 -8.446) 10.632 10.946 ( 10.111 -6.038 12.350) 17.065 11.079 ( -3.354 -2.732 0.214) 4.331 11.122 ( -3.207 -2.501 -9.013) 9.888 11.216 ( 1.540 0.161 -4.740) 4.987 11.427 ( 4.652 -3.974 -13.174) 14.525 11.588 ( 8.973 0.368 6.397) 11.026 11.809 ( -0.566 -1.886 3.170) 3.732 12.316 ( 1.551 9.668 -7.006) 12.040 12.476 ( -0.547 -5.384 3.905) 6.673 12.584 ( 1.840 -1.160 0.092) 2.177 12.767 ( -6.915 -5.824 0.471) 9.053 12.858 ( -7.066 -0.496 -0.102) 7.084 13.456 ( -1.750 6.064 -5.238) 8.202 13.513 ( 0.628 -5.915 -0.337) 5.958 13.727 ( -2.988 3.892 -1.420) 5.108 13.989 ( -4.493 -3.217 -6.488) 8.522 14.327 ( -0.535 -3.364 5.127) 6.156 14.718 ( -0.488 4.754 5.907) 7.598 14.919 ( -4.196 11.736 -6.327) 13.977 15.152 ( 4.929 13.239 -10.149) 17.394 15.800 ( 2.569 -0.531 8.824) 9.206 16.118 ( -2.688 -1.674 9.030) 9.569 16.319 ( 1.307 4.339 -2.044) 4.971 16.886 ( -0.309 -2.321 -6.692) 7.090 19.690 ( 0.292 -0.067 4.917) 4.926 19.971 ( 0.834 -1.365 3.553) 3.897 20.092 ( -1.245 2.487 4.404) 5.209 20.726 ( -11.400 -12.638 -3.547) 17.385 21.293 ( 7.721 -7.405 17.675) 20.661 21.690 ( -2.343 -16.907 13.518) 21.773 21.823 ( -0.669 -0.754 13.052) 13.091 21.882 ( -2.645 0.922 10.656) 11.018 22.589 ( -0.631 -3.922 -0.473) 4.001 22.753 ( 0.826 -2.331 -5.417) 5.955 23.397 ( 0.822 11.228 0.053) 11.258 23.437 ( -0.221 7.936 -0.970) 7.999 24.004 ( 1.692 7.344 -6.980) 10.272 24.290 ( 2.662 -2.309 -1.674) 3.901 24.526 ( 0.797 8.766 -8.979) 12.574 24.724 ( 3.837 7.167 -8.373) 11.670 ======================= Grid point 103 (53/104) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 6.537 20.054 11.251) 23.905 1.562 ( -6.657 18.192 15.429) 24.765 2.093 ( 1.196 3.152 -5.526) 6.473 2.578 ( 1.982 -3.347 4.213) 5.734 2.595 ( -4.494 7.857 8.759) 12.596 2.623 ( -5.111 -0.709 8.625) 10.051 2.769 ( -3.015 8.259 -5.007) 10.118 2.909 ( 0.613 5.924 0.614) 5.987 2.991 ( -3.574 15.967 8.034) 18.228 3.021 ( 2.415 2.685 7.012) 7.887 3.155 ( 3.050 2.170 4.065) 5.526 3.237 ( -4.575 3.377 6.849) 8.902 3.357 ( 3.766 -3.271 1.305) 5.156 3.498 ( 0.608 -1.988 0.891) 2.261 3.647 ( 0.055 -1.270 -3.665) 3.879 3.709 ( 0.880 2.961 -5.160) 6.014 3.942 ( -6.036 5.060 5.384) 9.541 4.045 ( -6.319 1.856 0.555) 6.609 4.172 ( 4.543 1.724 6.391) 8.028 4.245 ( -0.602 3.390 1.369) 3.705 4.481 ( -6.492 5.097 5.182) 9.746 4.624 ( 7.061 9.993 0.421) 12.243 4.829 ( 1.317 0.351 -1.965) 2.391 4.863 ( 3.252 -0.358 7.493) 8.176 5.008 ( -1.055 -3.771 6.913) 7.945 5.069 ( 10.230 2.406 4.434) 11.406 5.103 ( -2.267 0.347 -7.489) 7.832 5.388 ( -0.860 0.785 -1.688) 2.051 5.486 ( -4.628 2.335 -1.657) 5.442 5.517 ( 3.337 0.525 -2.488) 4.195 5.715 ( -1.073 -4.857 1.480) 5.189 5.956 ( -1.857 -6.171 -2.863) 7.051 6.249 ( 2.393 7.544 1.063) 7.986 6.318 ( -0.814 -5.528 -0.398) 5.602 6.540 ( -1.608 -5.981 4.037) 7.393 6.569 ( -1.855 0.759 -0.208) 2.015 6.809 ( 0.372 -4.679 3.541) 5.879 6.921 ( -4.128 -2.788 -0.046) 4.981 6.977 ( 1.968 0.813 -2.861) 3.567 7.192 ( 1.723 -6.055 -2.593) 6.808 7.796 ( 0.160 6.854 -1.488) 7.016 7.841 ( -0.577 1.176 -1.026) 1.664 8.267 ( 1.706 2.422 -3.191) 4.355 8.291 ( -2.153 0.507 -2.664) 3.463 8.328 ( -0.434 0.557 -1.870) 1.999 8.593 ( -4.262 -2.371 -4.984) 6.973 8.674 ( -3.511 -2.881 1.274) 4.717 8.829 ( 2.563 -8.404 1.481) 8.910 9.213 ( 1.113 2.760 5.423) 6.186 9.297 ( -1.323 1.669 -0.207) 2.140 9.535 ( 0.388 -0.154 -2.836) 2.866 9.819 ( 5.132 -1.972 -3.133) 6.328 10.115 ( -2.351 0.505 6.292) 6.736 10.513 ( 7.363 -1.491 -5.217) 9.147 10.701 ( -1.601 -4.441 -6.299) 7.871 10.776 ( -8.269 -2.055 -1.444) 8.642 10.822 ( -5.970 -0.126 -2.185) 6.359 10.940 ( -2.182 -3.222 -5.057) 6.381 11.141 ( 5.967 0.057 -3.269) 6.804 11.306 ( -0.221 -5.992 -11.204) 12.708 11.427 ( 15.027 -0.772 6.897) 16.552 11.646 ( 5.424 -6.303 5.372) 9.900 11.888 ( 0.533 4.131 6.408) 7.642 12.199 ( -10.271 -6.173 -0.989) 12.024 12.508 ( -10.334 0.882 -2.484) 10.665 12.586 ( 5.658 5.224 -6.140) 9.849 12.720 ( 7.596 -2.118 2.763) 8.356 12.793 ( -0.127 -1.543 1.220) 1.971 13.389 ( -2.116 -3.381 0.232) 3.996 13.404 ( 1.040 -4.869 0.277) 4.987 13.731 ( -2.101 0.636 -4.897) 5.367 13.810 ( -4.991 -1.921 -5.554) 7.711 14.477 ( 6.255 6.299 4.401) 9.908 14.753 ( -2.384 -0.753 4.724) 5.345 15.149 ( 0.963 15.233 -7.048) 16.812 15.426 ( 4.536 7.551 -10.186) 13.467 15.870 ( 0.570 -0.174 7.716) 7.739 16.031 ( -3.925 -3.358 6.257) 8.114 16.433 ( 0.741 5.043 -3.949) 6.447 16.807 ( 2.756 -5.107 -6.830) 8.962 19.715 ( 0.215 0.583 6.614) 6.643 19.902 ( -2.109 -4.291 7.497) 8.891 20.170 ( -0.606 6.045 0.305) 6.083 20.460 ( -2.875 -1.426 4.732) 5.718 21.243 ( 2.619 -8.407 14.778) 17.202 21.362 ( -3.562 -11.141 10.576) 15.769 21.827 ( -0.337 -0.754 10.695) 10.726 21.891 ( -2.428 -0.249 9.633) 9.938 22.481 ( -0.560 -1.788 1.147) 2.197 22.700 ( -0.126 -4.730 0.968) 4.830 23.506 ( -0.615 4.860 -0.076) 4.899 23.601 ( -0.227 4.256 -1.554) 4.537 24.082 ( -0.695 2.584 -5.958) 6.531 24.278 ( 2.536 -3.956 -4.071) 6.217 24.779 ( 2.377 10.968 -10.901) 15.645 24.892 ( 1.338 6.065 -11.594) 13.153 ======================= Grid point 104 (54/104) ======================= q-point: ( 0.17 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 0.357 14.972 17.444) 22.991 1.645 ( 6.653 13.652 12.431) 19.626 2.118 ( 3.068 3.884 -6.452) 8.131 2.443 ( -14.747 -3.876 4.862) 16.005 2.509 ( -6.806 6.127 12.263) 15.305 2.612 ( -1.713 1.972 3.553) 4.410 2.718 ( 0.320 3.325 -7.682) 8.377 2.849 ( -7.162 1.374 5.801) 9.318 2.975 ( 0.466 6.921 -1.700) 7.142 3.076 ( -1.575 0.982 11.537) 11.685 3.212 ( 1.338 9.252 0.080) 9.348 3.250 ( 4.734 11.210 16.827) 20.766 3.376 ( -2.729 0.757 -1.254) 3.097 3.534 ( 3.271 -7.381 -0.874) 8.120 3.614 ( -2.548 1.472 -6.743) 7.357 3.677 ( -0.602 3.483 -2.629) 4.405 3.862 ( -3.720 3.710 2.868) 5.986 3.931 ( -4.617 6.054 6.173) 9.802 4.178 ( -3.487 1.157 4.772) 6.023 4.276 ( 0.342 7.311 7.035) 10.152 4.412 ( -3.687 3.968 -0.650) 5.456 4.679 ( -0.035 5.345 2.307) 5.822 4.830 ( -1.358 0.045 1.173) 1.795 4.896 ( -2.414 3.662 1.899) 4.779 5.045 ( 4.575 6.084 3.474) 8.368 5.071 ( 2.436 -0.543 -7.158) 7.580 5.224 ( -1.310 0.108 3.022) 3.295 5.353 ( -0.169 -0.689 3.105) 3.185 5.465 ( 3.435 1.858 -3.327) 5.131 5.544 ( 0.757 1.822 -3.558) 4.068 5.725 ( 2.391 -6.949 2.801) 7.865 5.956 ( 2.322 -6.795 -1.235) 7.286 6.278 ( -0.608 2.674 -0.814) 2.860 6.346 ( 5.083 -3.090 0.908) 6.017 6.510 ( -1.768 -6.658 2.399) 7.294 6.581 ( 2.446 2.023 0.517) 3.216 6.776 ( -5.011 -4.588 -0.102) 6.795 6.872 ( -0.223 -1.748 1.878) 2.575 6.979 ( -1.904 -2.957 0.710) 3.588 7.214 ( 1.297 -5.707 -1.869) 6.143 7.777 ( -1.868 6.521 -3.302) 7.544 7.802 ( -2.726 2.376 -0.870) 3.719 8.193 ( -3.308 -0.899 0.059) 3.429 8.302 ( -2.137 -2.561 -0.355) 3.354 8.374 ( 6.086 3.854 -4.454) 8.470 8.540 ( 0.634 -0.139 -4.530) 4.576 8.624 ( -2.272 -2.411 1.291) 3.555 8.842 ( -1.105 -6.889 0.655) 7.008 9.219 ( -4.952 4.628 -1.176) 6.880 9.251 ( 0.822 3.070 4.095) 5.184 9.582 ( 4.011 -2.997 -1.175) 5.143 9.896 ( 3.559 -6.365 -2.172) 7.608 10.101 ( -0.664 4.956 4.738) 6.888 10.541 ( -4.399 -1.765 -2.322) 5.278 10.664 ( -2.158 -1.534 -3.023) 4.019 10.695 ( 2.380 1.356 -6.906) 7.430 10.736 ( -1.991 -0.332 -2.475) 3.193 10.910 ( 0.706 -3.904 -6.466) 7.586 11.200 ( 1.999 -0.475 -4.320) 4.783 11.321 ( 3.357 -0.823 -4.445) 5.631 11.690 ( 8.394 -3.298 4.780) 10.207 11.739 ( 4.223 -3.892 5.652) 8.058 11.868 ( -1.719 -2.014 -1.285) 2.943 12.039 ( -5.368 -3.686 0.374) 6.523 12.271 ( -13.794 -0.703 -2.880) 14.109 12.595 ( -2.341 -0.415 -0.707) 2.480 12.847 ( 3.033 0.546 -0.718) 3.164 12.856 ( 6.283 -1.636 0.827) 6.545 13.358 ( -0.787 -1.423 0.323) 1.658 13.472 ( 5.446 -5.243 -0.086) 7.560 13.711 ( 1.084 -0.747 -2.950) 3.230 13.744 ( -0.688 -2.198 -3.148) 3.901 14.612 ( 7.080 4.524 1.797) 8.592 14.703 ( -4.173 0.489 3.233) 5.302 15.171 ( 2.957 16.505 -6.701) 18.057 15.476 ( 3.271 8.785 -9.253) 13.172 15.885 ( -1.088 -2.728 6.219) 6.878 15.976 ( -3.156 -5.411 6.773) 9.226 16.428 ( -0.150 5.762 -3.267) 6.625 16.862 ( 4.615 -4.697 -8.075) 10.420 19.734 ( -0.096 0.140 6.669) 6.671 19.867 ( -3.436 -2.617 7.501) 8.656 20.163 ( -0.239 6.341 0.374) 6.356 20.437 ( -0.941 0.993 5.800) 5.959 21.314 ( -1.639 -8.999 7.942) 12.114 21.343 ( 1.000 -14.190 15.939) 21.364 21.849 ( -0.205 -0.965 9.747) 9.797 21.870 ( -2.504 -0.412 10.079) 10.393 22.479 ( 0.156 -2.071 1.124) 2.361 22.680 ( -2.186 -5.243 0.860) 5.745 23.503 ( 0.261 4.731 0.257) 4.745 23.589 ( -0.489 4.688 -1.882) 5.076 24.057 ( -0.504 3.152 -4.186) 5.264 24.295 ( 0.632 -4.190 -4.911) 6.486 24.787 ( 1.437 10.860 -10.665) 15.289 24.871 ( -0.273 6.365 -10.719) 12.470 ======================= Grid point 105 (55/104) ======================= q-point: ( 0.33 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 8.172 5.074 18.391) 20.755 1.776 ( 4.018 9.411 11.887) 15.685 2.125 ( -19.158 -0.706 6.103) 20.119 2.180 ( 5.413 3.114 -5.802) 8.524 2.430 ( -5.277 6.909 12.459) 15.192 2.585 ( -0.722 7.575 -1.924) 7.849 2.695 ( -5.253 0.817 2.545) 5.894 2.745 ( -1.704 -3.758 2.450) 4.798 2.964 ( -1.213 4.554 2.676) 5.419 3.050 ( -3.510 5.946 8.336) 10.824 3.216 ( -0.513 8.793 0.803) 8.845 3.312 ( -0.911 6.726 -3.565) 7.666 3.403 ( 5.599 3.911 7.877) 10.425 3.537 ( -3.551 0.564 -5.091) 6.233 3.584 ( 1.676 -6.846 -1.866) 7.291 3.659 ( -2.998 -6.817 0.157) 7.449 3.844 ( 1.231 7.570 1.228) 7.767 3.953 ( 4.903 10.701 12.835) 17.416 4.116 ( -5.359 11.145 7.314) 14.368 4.193 ( -8.861 5.704 4.009) 11.276 4.373 ( 1.185 3.967 -5.144) 6.603 4.650 ( -6.234 0.397 3.400) 7.112 4.819 ( 1.270 0.232 3.417) 3.653 4.886 ( 2.687 8.106 1.130) 8.614 5.083 ( 0.317 -2.707 -7.504) 7.984 5.108 ( -6.138 0.972 -1.898) 6.498 5.152 ( 2.862 5.385 6.057) 8.595 5.377 ( 0.123 1.473 -0.020) 1.479 5.480 ( -1.133 2.262 -3.151) 4.041 5.550 ( 0.352 4.983 -1.193) 5.136 5.783 ( 1.080 -10.360 5.740) 11.893 6.035 ( 5.446 -7.927 -1.372) 9.715 6.269 ( 0.133 0.940 -0.745) 1.207 6.431 ( 2.283 -5.553 2.851) 6.646 6.525 ( 3.094 -6.120 2.142) 7.184 6.624 ( 0.449 -2.876 -0.470) 2.949 6.714 ( 1.081 3.373 0.149) 3.545 6.882 ( 0.155 -3.390 3.031) 4.550 6.928 ( -2.557 -4.104 -0.770) 4.896 7.209 ( -2.545 -3.570 1.425) 4.610 7.718 ( -2.704 6.515 -2.913) 7.631 7.761 ( -0.782 3.712 -4.531) 5.910 8.152 ( -2.025 -0.905 4.902) 5.381 8.289 ( 2.108 -5.192 -1.924) 5.924 8.468 ( 5.000 3.112 -3.095) 6.653 8.561 ( -0.380 -1.598 0.078) 1.644 8.597 ( 0.695 -1.240 -3.846) 4.100 8.819 ( -0.611 -4.172 -0.185) 4.220 9.140 ( -2.541 4.037 -1.625) 5.039 9.265 ( -0.418 4.009 3.194) 5.143 9.646 ( 2.785 -4.158 0.010) 5.004 9.928 ( 0.736 -6.772 -2.868) 7.391 10.109 ( -0.235 6.941 5.352) 8.768 10.427 ( -6.558 0.051 -1.890) 6.825 10.623 ( -1.693 -0.571 -2.785) 3.309 10.697 ( 1.129 0.367 -5.271) 5.403 10.759 ( 3.212 -1.276 -4.401) 5.595 10.931 ( 3.480 -3.030 -7.675) 8.955 11.242 ( 3.755 1.960 -3.110) 5.255 11.343 ( -0.750 0.918 -3.152) 3.368 11.690 ( -5.939 -4.336 -2.324) 7.712 11.772 ( 0.211 -3.271 -2.884) 4.365 11.878 ( -4.556 -4.412 -4.564) 7.813 12.036 ( 4.937 -4.193 7.334) 9.784 12.078 ( -2.939 -1.696 0.921) 3.516 12.535 ( -4.720 -6.515 6.450) 10.311 12.876 ( 1.911 4.048 -4.557) 6.388 12.945 ( 3.137 -2.147 -0.437) 3.827 13.360 ( 0.720 0.324 0.442) 0.905 13.561 ( 3.694 -4.379 -1.814) 6.009 13.744 ( 2.340 -2.001 -0.709) 3.159 13.772 ( 4.067 -2.400 -0.016) 4.722 14.614 ( -5.942 3.287 3.972) 7.867 14.733 ( 5.082 1.786 -0.205) 5.391 15.216 ( 3.906 15.834 -7.818) 18.086 15.483 ( -0.318 9.337 -9.395) 13.250 15.845 ( -3.881 -3.560 2.950) 6.037 15.982 ( 1.270 -5.231 9.048) 10.529 16.415 ( -0.471 6.732 -2.148) 7.082 16.911 ( 2.713 -4.037 -8.791) 10.047 19.737 ( -1.668 0.164 6.851) 7.053 19.834 ( -1.720 -2.087 7.571) 8.039 20.163 ( 0.187 6.200 0.313) 6.211 20.452 ( 0.809 -0.711 5.232) 5.342 21.281 ( -3.458 -8.640 9.907) 13.593 21.408 ( 0.718 -14.131 13.707) 19.700 21.838 ( -2.782 -0.057 8.104) 8.569 21.882 ( 0.080 -1.476 10.920) 11.019 22.497 ( 1.671 -3.532 0.469) 3.935 22.631 ( -3.218 -4.970 1.103) 6.022 23.515 ( 0.869 4.641 0.695) 4.772 23.578 ( -0.145 5.403 -1.396) 5.582 24.045 ( 0.191 3.437 -3.238) 4.726 24.280 ( -0.759 -3.596 -4.835) 6.074 24.778 ( 0.611 10.567 -10.608) 14.986 24.842 ( 0.229 7.124 -9.757) 12.083 ======================= Grid point 106 (56/104) ======================= q-point: (-0.50 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( -16.505 3.020 10.111) 19.590 1.895 ( -7.381 11.106 15.132) 20.169 1.955 ( 11.912 -2.327 10.514) 16.058 2.317 ( 9.940 1.654 -4.007) 10.844 2.370 ( -3.267 5.790 3.685) 7.601 2.561 ( -0.310 9.641 9.129) 13.281 2.671 ( 0.307 5.984 3.606) 6.993 2.758 ( 2.923 -5.206 2.708) 6.556 2.969 ( 0.291 2.938 8.897) 9.374 2.994 ( -3.006 9.593 -2.902) 10.463 3.212 ( -0.540 8.822 2.806) 9.273 3.329 ( 3.598 7.513 -5.585) 10.028 3.433 ( -4.954 0.281 -1.586) 5.209 3.485 ( 0.282 -3.309 -1.636) 3.702 3.584 ( -0.841 -3.951 6.732) 7.851 3.621 ( -0.127 -5.769 -2.448) 6.268 3.867 ( -2.367 6.437 5.245) 8.634 3.977 ( -3.453 12.389 5.213) 13.877 4.086 ( -2.766 5.431 0.375) 6.107 4.180 ( 8.489 13.326 14.603) 21.515 4.378 ( 0.028 3.598 -3.390) 4.943 4.533 ( -5.053 -2.816 1.347) 5.939 4.879 ( 3.372 -2.824 3.688) 5.740 4.949 ( 0.182 7.444 0.281) 7.451 4.998 ( -2.284 -1.407 0.178) 2.689 5.056 ( -1.339 0.001 -6.425) 6.563 5.223 ( 3.688 4.326 4.965) 7.548 5.330 ( -4.532 5.659 -2.162) 7.566 5.444 ( -2.259 1.757 -0.173) 2.867 5.538 ( -1.241 3.023 -2.443) 4.080 5.788 ( -1.449 -10.205 4.932) 11.427 6.086 ( 0.516 -5.584 -2.778) 6.259 6.283 ( 1.362 -0.717 2.560) 2.987 6.480 ( 2.142 -5.175 3.102) 6.402 6.504 ( -5.607 -5.132 0.528) 7.619 6.669 ( 4.536 -6.009 2.204) 7.844 6.771 ( 1.019 2.144 -0.305) 2.394 6.897 ( 3.880 -0.215 -0.366) 3.903 6.939 ( 2.728 -2.684 1.655) 4.169 7.119 ( -7.070 -2.557 1.528) 7.672 7.695 ( 1.272 6.831 -2.726) 7.464 7.755 ( 1.547 3.729 -5.830) 7.091 8.146 ( -0.333 -1.720 5.524) 5.795 8.359 ( 5.055 -4.727 -0.997) 6.993 8.517 ( -3.127 -3.518 1.244) 4.869 8.536 ( 3.283 1.905 -1.836) 4.217 8.603 ( 0.138 -1.970 -6.349) 6.649 8.833 ( 1.846 -1.836 -0.553) 2.661 9.128 ( 1.484 2.834 -0.672) 3.269 9.255 ( -1.406 3.923 2.391) 4.805 9.667 ( -1.009 -4.085 0.162) 4.211 9.918 ( -1.235 -4.378 -3.238) 5.584 10.114 ( -0.035 7.927 6.566) 10.293 10.309 ( -5.371 -1.600 -1.752) 5.871 10.605 ( 1.384 0.077 -2.631) 2.974 10.732 ( 4.030 -0.445 -5.123) 6.533 10.808 ( 3.276 -3.213 -3.945) 6.051 10.993 ( 5.135 -1.760 -8.316) 9.931 11.260 ( -6.366 -2.428 -6.849) 9.661 11.298 ( 1.976 2.066 -2.245) 3.635 11.555 ( -7.757 -2.205 -2.382) 8.409 11.693 ( -7.538 -1.516 -7.779) 10.938 11.772 ( -1.887 -1.611 0.796) 2.606 12.148 ( 8.155 -1.788 -1.246) 8.441 12.171 ( 6.059 -7.090 8.761) 12.796 12.466 ( -4.323 -8.675 7.312) 12.141 12.906 ( 2.100 4.562 -4.088) 6.475 12.962 ( -1.271 -2.028 -1.136) 2.650 13.380 ( 1.064 0.049 1.008) 1.466 13.588 ( -0.101 -4.025 -3.055) 5.054 13.783 ( 1.918 -1.378 -0.150) 2.367 13.865 ( 5.315 -2.513 0.810) 5.935 14.508 ( -6.479 5.114 4.109) 9.220 14.793 ( 1.314 0.569 0.714) 1.600 15.268 ( 4.062 13.549 -9.989) 17.317 15.414 ( -4.182 7.930 -9.447) 13.024 15.790 ( -2.574 -0.195 3.973) 4.738 16.041 ( 2.230 -4.173 8.141) 9.416 16.404 ( -0.058 7.036 -1.809) 7.265 16.910 ( -0.341 -3.827 -8.504) 9.332 19.713 ( -2.475 0.721 7.036) 7.493 19.845 ( 0.406 -3.160 7.478) 8.129 20.171 ( 0.506 5.782 0.441) 5.820 20.484 ( 1.272 -4.438 3.715) 5.926 21.240 ( -4.147 -6.324 12.002) 14.185 21.434 ( -1.412 -12.994 12.502) 18.087 21.810 ( -2.396 0.036 8.430) 8.764 21.908 ( -0.334 -1.162 10.401) 10.471 22.534 ( 1.480 -7.012 -1.772) 7.383 22.585 ( -1.229 -1.964 3.010) 3.799 23.535 ( 0.836 4.359 1.042) 4.559 23.576 ( 0.284 5.981 -0.903) 6.055 24.050 ( 1.439 3.466 -3.438) 5.090 24.249 ( -1.207 -2.764 -4.381) 5.319 24.760 ( 0.564 10.117 -10.599) 14.664 24.836 ( 1.827 7.654 -9.746) 12.526 ======================= Grid point 107 (57/104) ======================= q-point: (-0.33 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( -11.023 11.925 11.528) 19.915 1.804 ( -8.092 15.203 16.911) 24.137 2.118 ( 2.564 -5.938 0.030) 6.468 2.349 ( 3.371 4.872 5.039) 7.778 2.522 ( 9.305 2.475 1.879) 9.810 2.649 ( 5.315 6.585 11.669) 14.414 2.672 ( 0.464 8.118 1.649) 8.297 2.859 ( 5.393 -1.445 6.341) 8.449 2.926 ( -2.202 6.631 -3.240) 7.702 3.019 ( 1.225 10.125 2.510) 10.503 3.199 ( -1.958 12.176 4.481) 13.122 3.317 ( -3.892 -2.480 -4.379) 6.362 3.406 ( -0.282 -1.508 1.810) 2.373 3.472 ( 2.080 1.927 -3.532) 4.529 3.560 ( -4.288 3.482 8.207) 9.892 3.634 ( 2.478 -1.779 -4.454) 5.398 3.849 ( 3.538 6.141 11.779) 13.747 4.006 ( 2.628 4.073 -0.443) 4.867 4.072 ( 0.282 0.896 5.638) 5.715 4.327 ( 3.598 8.111 6.768) 11.160 4.359 ( -1.175 1.890 -3.327) 4.003 4.508 ( 2.338 -0.385 3.040) 3.855 4.873 ( -4.374 1.125 0.938) 4.612 4.927 ( -4.465 -2.526 0.635) 5.169 4.959 ( 0.327 0.333 0.534) 0.709 5.084 ( 4.004 -1.421 -5.449) 6.910 5.224 ( -7.177 6.869 3.421) 10.508 5.313 ( 3.720 7.854 3.620) 9.414 5.398 ( -0.478 -1.526 -2.516) 2.981 5.513 ( -0.193 1.254 -0.823) 1.512 5.774 ( -1.045 -6.994 3.092) 7.718 6.072 ( -0.912 -2.813 -2.674) 3.987 6.306 ( -0.852 -1.866 3.183) 3.787 6.381 ( -6.486 -2.866 0.577) 7.114 6.513 ( 0.947 -4.340 3.191) 5.470 6.740 ( -3.132 -2.055 -1.103) 3.905 6.764 ( 4.579 -3.997 2.268) 6.487 6.913 ( -4.039 2.228 -0.942) 4.708 7.027 ( -0.394 -4.811 -0.231) 4.833 7.043 ( 6.161 -0.898 1.437) 6.390 7.739 ( 3.721 5.268 -3.870) 7.522 7.782 ( 2.607 4.802 -3.967) 6.752 8.160 ( 0.607 -0.015 3.943) 3.989 8.407 ( -0.918 0.501 -2.995) 3.172 8.471 ( -2.287 -4.378 -1.802) 5.258 8.586 ( 3.502 -0.827 -1.049) 3.748 8.617 ( 3.496 -5.960 0.593) 6.935 8.850 ( -0.363 -1.975 -3.084) 3.680 9.179 ( 3.599 0.959 0.155) 3.728 9.230 ( -1.863 3.007 3.439) 4.933 9.619 ( -2.689 -1.009 -2.848) 4.044 9.844 ( -5.688 0.223 -0.653) 5.730 10.177 ( 1.856 1.773 9.273) 9.621 10.242 ( 1.604 -2.276 -5.773) 6.409 10.683 ( 7.495 0.364 1.253) 7.608 10.797 ( 3.049 -4.398 -8.825) 10.321 10.846 ( 2.444 -2.052 -0.607) 3.249 11.061 ( 3.599 0.626 -7.262) 8.129 11.123 ( -5.298 -5.455 -8.608) 11.486 11.301 ( 0.341 -1.608 -4.257) 4.563 11.384 ( -10.251 0.269 -0.085) 10.255 11.562 ( -4.304 -1.539 -5.229) 6.945 11.780 ( 1.623 1.276 3.241) 3.842 12.284 ( 4.210 -8.184 6.530) 11.284 12.316 ( 8.919 -0.941 -0.741) 8.999 12.441 ( 1.188 -5.129 4.624) 7.007 12.869 ( -6.699 0.586 -1.835) 6.970 12.927 ( -0.961 0.885 -3.410) 3.652 13.397 ( 0.266 -1.686 1.609) 2.346 13.542 ( -3.689 -3.874 -3.724) 6.518 13.806 ( 0.632 0.101 -1.359) 1.502 13.944 ( 2.596 -2.982 -1.932) 4.401 14.413 ( -4.758 6.493 5.141) 9.552 14.790 ( -1.588 0.123 3.002) 3.399 15.272 ( -3.266 10.227 -8.730) 13.837 15.340 ( 2.078 7.975 -12.809) 15.231 15.782 ( 0.256 3.472 6.779) 7.620 16.086 ( 0.052 -2.944 7.731) 8.272 16.406 ( 0.954 6.265 -2.964) 6.996 16.863 ( -2.215 -4.322 -7.543) 8.971 19.694 ( -1.393 0.971 6.866) 7.073 19.876 ( 0.717 -4.190 7.625) 8.730 20.180 ( 0.246 5.449 0.546) 5.482 20.509 ( 0.381 -7.941 2.312) 8.280 21.195 ( -4.068 -3.223 14.410) 15.316 21.425 ( -2.680 -11.933 11.558) 16.827 21.799 ( -1.258 -0.069 9.299) 9.384 21.918 ( -1.418 -0.610 10.096) 10.214 22.516 ( -1.629 -4.948 -0.380) 5.223 22.625 ( 3.165 -3.191 1.700) 4.806 23.540 ( -0.596 4.446 0.795) 4.556 23.587 ( 1.033 5.529 -0.721) 5.671 24.081 ( 2.822 3.023 -5.224) 6.663 24.222 ( -0.439 -2.304 -3.259) 4.015 24.751 ( 1.497 10.398 -10.895) 15.135 24.855 ( 2.823 7.370 -10.165) 12.869 ======================= Grid point 108 (58/104) ======================= q-point: (-0.17 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 2.815 19.307 12.165) 22.992 1.685 ( -9.357 18.340 15.681) 25.881 2.105 ( -1.055 0.807 -4.148) 4.355 2.474 ( 6.786 -2.038 4.532) 8.411 2.616 ( 0.396 4.567 7.813) 9.059 2.673 ( -1.996 4.241 5.785) 7.445 2.777 ( 3.679 8.502 6.236) 11.167 2.890 ( 0.786 7.838 -3.575) 8.650 2.959 ( 0.450 9.022 2.487) 9.370 3.018 ( 1.017 10.714 8.094) 13.466 3.162 ( -4.006 5.664 1.397) 7.077 3.274 ( 0.911 -1.314 0.551) 1.691 3.331 ( -4.391 -4.951 3.111) 7.313 3.506 ( -2.229 2.259 5.324) 6.198 3.592 ( 6.653 -0.104 -1.195) 6.760 3.678 ( 3.007 0.944 -5.238) 6.113 4.009 ( 5.799 3.873 8.427) 10.938 4.037 ( 0.631 4.356 3.662) 5.725 4.078 ( 0.510 -2.185 2.981) 3.731 4.299 ( -4.284 -0.141 -0.749) 4.351 4.441 ( 9.296 10.978 -0.713) 14.403 4.574 ( 0.028 2.512 6.617) 7.078 4.811 ( -1.876 -1.138 5.881) 6.277 4.832 ( -2.563 -0.955 -3.290) 4.278 4.967 ( -0.351 0.124 3.688) 3.707 5.069 ( -5.206 2.541 0.716) 5.837 5.140 ( -0.472 -3.502 -3.241) 4.795 5.364 ( 2.755 4.278 1.762) 5.384 5.448 ( 4.257 -0.412 -4.289) 6.057 5.533 ( 0.893 5.984 2.377) 6.501 5.749 ( -2.649 -7.166 1.294) 7.749 6.025 ( -3.582 -5.024 -3.336) 7.014 6.246 ( -3.012 5.553 1.016) 6.398 6.333 ( -0.982 -4.837 1.462) 5.147 6.536 ( 0.449 -4.783 3.889) 6.181 6.650 ( -5.779 -0.895 -0.961) 5.926 6.801 ( -0.845 -2.201 3.438) 4.168 6.902 ( 3.647 -3.203 -0.664) 4.899 7.004 ( -1.802 -0.456 -3.816) 4.245 7.148 ( 3.917 -3.752 0.139) 5.426 7.784 ( 1.894 5.717 -3.307) 6.871 7.825 ( 2.364 3.067 -1.569) 4.178 8.198 ( 3.119 3.021 0.821) 4.419 8.357 ( -2.261 1.398 -3.458) 4.362 8.394 ( -4.880 -1.988 -4.362) 6.840 8.644 ( 0.454 -3.883 1.836) 4.319 8.704 ( 4.150 -5.568 -0.225) 6.948 8.797 ( -2.946 -4.815 -2.865) 6.330 9.197 ( -1.238 1.198 5.964) 6.208 9.262 ( 3.864 0.771 -0.473) 3.969 9.576 ( -2.012 1.693 -3.877) 4.685 9.768 ( -0.463 0.772 -2.057) 2.245 10.151 ( -3.373 -2.196 6.959) 8.039 10.368 ( 9.272 -1.140 -4.956) 10.575 10.759 ( -2.488 -6.667 -7.855) 10.599 10.840 ( 4.611 -2.939 5.227) 7.565 10.903 ( 0.465 0.611 -2.608) 2.719 11.015 ( -4.273 -5.149 -6.743) 9.499 11.072 ( 0.889 0.134 -4.658) 4.744 11.239 ( -0.366 1.798 0.754) 1.984 11.334 ( 2.415 -4.456 -12.442) 13.434 11.535 ( 2.789 -4.782 4.903) 7.395 11.834 ( 2.704 3.848 6.081) 7.688 12.318 ( -2.262 -8.272 4.474) 9.673 12.458 ( 7.727 3.334 -5.128) 9.855 12.553 ( 8.218 -2.755 5.081) 10.047 12.701 ( -10.036 1.074 -1.758) 10.245 12.866 ( -4.711 -0.011 -3.703) 5.992 13.395 ( -0.617 -3.518 1.232) 3.778 13.458 ( -4.101 -3.775 -2.355) 6.051 13.788 ( -1.999 1.156 -3.883) 4.518 13.920 ( -4.073 -2.920 -5.769) 7.642 14.389 ( 1.123 7.202 6.357) 9.672 14.771 ( -1.444 -0.412 5.407) 5.612 15.184 ( -2.687 11.923 -8.175) 14.704 15.373 ( 4.209 7.291 -12.322) 14.923 15.825 ( 1.895 3.158 7.814) 8.638 16.078 ( -2.860 -2.304 7.377) 8.240 16.421 ( 1.498 5.195 -3.978) 6.713 16.810 ( -1.095 -4.962 -6.602) 8.331 19.697 ( -0.234 0.909 6.665) 6.730 19.902 ( -0.151 -4.753 7.686) 9.038 20.179 ( -0.419 5.532 0.360) 5.560 20.501 ( -2.041 -6.847 2.665) 7.626 21.184 ( -0.870 -3.487 15.764) 16.168 21.399 ( -3.313 -11.334 10.858) 16.042 21.808 ( -0.531 -0.386 10.279) 10.300 21.909 ( -2.196 -0.314 9.812) 10.059 22.492 ( -0.974 -2.736 0.665) 2.979 22.679 ( 2.061 -4.135 1.118) 4.753 23.523 ( -1.147 4.838 0.117) 4.973 23.601 ( 0.563 4.542 -0.887) 4.662 24.103 ( 0.798 2.326 -7.301) 7.704 24.233 ( 2.568 -2.820 -2.375) 4.492 24.760 ( 2.504 10.910 -11.108) 15.770 24.881 ( 2.801 6.645 -11.033) 13.180 ======================= Grid point 109 (59/104) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 4.912 14.484 5.808) 16.360 1.961 ( -7.051 14.219 8.016) 17.781 2.092 ( 2.042 0.550 1.399) 2.536 2.407 ( -3.758 -15.500 4.968) 16.704 2.554 ( -3.584 0.362 3.102) 4.754 2.603 ( -3.934 -3.038 6.756) 8.388 2.954 ( -1.142 6.556 -6.085) 9.018 3.017 ( 1.787 0.957 2.385) 3.131 3.049 ( 0.522 4.278 4.917) 6.538 3.159 ( -7.341 0.554 5.961) 9.473 3.220 ( 3.293 5.179 0.939) 6.209 3.271 ( 2.744 -2.489 -1.967) 4.195 3.405 ( -2.968 -1.300 2.816) 4.293 3.434 ( -3.366 -3.963 -3.497) 6.266 3.693 ( 1.551 6.341 -0.979) 6.601 3.767 ( -2.988 0.750 0.423) 3.110 4.061 ( 0.552 13.588 8.896) 16.250 4.130 ( 0.865 3.913 1.434) 4.256 4.188 ( 1.398 1.314 6.189) 6.480 4.374 ( 0.778 2.162 1.640) 2.823 4.503 ( 2.137 -5.345 10.763) 12.205 4.630 ( 2.978 -10.713 8.305) 13.879 4.850 ( -3.803 11.264 3.940) 12.524 4.966 ( 4.405 5.019 0.625) 6.707 5.040 ( -1.872 -4.021 -2.314) 5.003 5.041 ( 11.763 2.819 7.592) 14.281 5.139 ( 0.038 5.153 -0.277) 5.161 5.349 ( -5.828 -10.560 -2.144) 12.250 5.450 ( 0.105 2.540 -2.525) 3.583 5.523 ( 1.347 -3.385 -0.553) 3.685 5.746 ( -1.063 6.761 -1.780) 7.072 5.859 ( -2.524 -3.547 -4.109) 5.986 6.246 ( -0.479 0.478 -0.137) 0.690 6.312 ( 1.068 -3.983 0.260) 4.132 6.523 ( -2.671 5.330 -0.561) 5.988 6.593 ( -0.736 -0.238 -1.652) 1.824 6.743 ( -0.167 0.286 5.942) 5.951 6.818 ( 0.540 -5.231 5.990) 7.971 6.972 ( -2.383 -0.881 -2.942) 3.887 7.031 ( -0.295 -7.084 -1.472) 7.242 7.878 ( -0.444 2.200 -0.669) 2.342 7.896 ( 0.184 1.564 -1.387) 2.099 8.259 ( -3.465 1.331 -3.960) 5.428 8.307 ( -1.799 -1.512 -0.091) 2.352 8.418 ( 1.456 5.677 -1.704) 6.103 8.526 ( -1.162 -4.033 -2.130) 4.707 8.626 ( -1.970 -1.166 -1.274) 2.620 8.664 ( 2.156 -5.518 0.436) 5.940 9.249 ( 2.032 1.500 5.373) 5.937 9.289 ( 1.658 -2.021 3.443) 4.323 9.624 ( -2.487 6.818 -6.365) 9.654 9.752 ( 0.257 -4.710 -5.220) 7.036 10.219 ( 2.109 8.377 0.756) 8.671 10.413 ( 4.272 -8.413 -4.018) 10.255 10.652 ( 1.305 0.855 -5.342) 5.565 10.710 ( -2.437 -3.711 -3.183) 5.462 10.837 ( -4.475 1.465 -3.059) 5.615 10.878 ( -3.390 -2.477 -4.179) 5.923 11.151 ( 4.194 1.148 -5.223) 6.796 11.200 ( 1.249 -3.703 -8.134) 9.024 11.445 ( 10.744 2.458 6.976) 13.044 11.525 ( 7.435 -4.983 6.059) 10.808 11.980 ( -2.594 4.537 5.097) 7.300 12.080 ( -7.189 -5.140 2.107) 9.085 12.557 ( -9.933 3.697 -3.826) 11.269 12.631 ( -1.792 -1.570 -5.256) 5.771 12.705 ( 8.785 0.420 2.273) 9.084 12.733 ( 3.399 -2.626 3.339) 5.440 13.341 ( 0.291 -0.952 0.061) 0.997 13.345 ( -0.756 -1.172 -0.277) 1.422 13.740 ( -3.422 0.918 -5.292) 6.369 13.772 ( -4.233 -1.837 -6.028) 7.591 14.608 ( 3.413 5.721 5.024) 8.344 14.707 ( 0.024 -3.599 4.632) 5.866 15.412 ( 3.595 8.954 -7.607) 12.287 15.508 ( 4.963 -0.139 -8.899) 10.190 15.896 ( -3.036 2.538 6.786) 7.855 15.961 ( -4.861 -3.298 5.913) 8.335 16.544 ( 1.480 5.752 -5.426) 8.044 16.678 ( 2.322 -6.734 -6.241) 9.470 19.743 ( -0.504 2.227 8.207) 8.518 19.810 ( -1.175 -4.019 8.970) 9.899 20.308 ( 0.283 6.435 -1.663) 6.653 20.415 ( 0.334 -3.426 0.051) 3.443 21.142 ( -1.412 -1.400 14.006) 14.147 21.185 ( -2.897 -5.489 11.980) 13.492 21.826 ( -0.720 0.794 8.325) 8.393 21.860 ( -1.626 -2.110 7.786) 8.229 22.504 ( -0.911 3.362 4.192) 5.451 22.596 ( -0.952 -4.946 4.122) 6.508 23.596 ( -0.499 3.417 -0.633) 3.511 23.638 ( -0.285 -0.363 -1.146) 1.236 24.134 ( 0.114 2.582 -4.027) 4.785 24.197 ( 1.278 -3.504 -3.366) 5.024 24.944 ( 2.073 4.690 -11.374) 12.476 24.977 ( 1.659 1.478 -12.099) 12.301 ======================= Grid point 110 (60/104) ======================= q-point: ( 0.17 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( -7.231 15.296 10.165) 19.738 1.910 ( 2.092 9.657 6.207) 11.669 2.143 ( 3.120 -1.326 -0.441) 3.419 2.265 ( -10.363 -11.794 5.197) 16.538 2.514 ( -3.600 -0.981 5.838) 6.929 2.548 ( -3.031 -3.659 4.555) 6.582 2.933 ( -1.547 12.048 -2.562) 12.415 2.965 ( -7.580 7.022 5.792) 11.845 3.040 ( -4.243 -0.578 7.533) 8.665 3.130 ( 5.206 -0.269 0.051) 5.213 3.264 ( 0.064 0.463 1.053) 1.152 3.315 ( 1.632 -1.055 -2.092) 2.855 3.366 ( -1.917 -4.061 1.525) 4.742 3.380 ( 0.552 -5.380 -2.033) 5.778 3.647 ( -5.437 1.150 0.206) 5.561 3.682 ( -6.060 -1.805 0.966) 6.397 4.114 ( -1.460 11.306 -0.114) 11.401 4.162 ( 5.278 14.738 9.054) 18.084 4.217 ( 1.024 3.238 4.785) 5.867 4.410 ( 2.399 1.770 1.741) 3.452 4.501 ( -5.915 4.103 3.926) 8.200 4.666 ( -1.602 -10.235 7.483) 12.779 4.808 ( -1.698 5.891 5.327) 8.121 4.983 ( 0.133 -3.460 -2.261) 4.135 5.012 ( 0.667 2.551 -0.313) 2.655 5.135 ( -1.622 -5.141 5.571) 7.753 5.287 ( 12.124 8.324 2.337) 14.891 5.383 ( -3.746 3.805 -1.388) 5.517 5.452 ( 10.250 -3.479 2.337) 11.074 5.502 ( -3.067 -4.584 -1.994) 5.865 5.711 ( -1.183 4.907 -3.389) 6.080 5.827 ( 0.178 -5.584 -2.647) 6.182 6.260 ( 1.739 1.373 0.045) 2.217 6.350 ( 2.248 -5.821 0.876) 6.302 6.451 ( -4.011 5.604 -0.384) 6.902 6.568 ( -2.549 -4.572 -1.739) 5.516 6.773 ( 2.045 4.151 5.795) 7.416 6.820 ( -1.155 -2.292 4.171) 4.898 6.909 ( -3.690 -0.866 -1.074) 3.940 7.040 ( 1.515 -9.723 -0.281) 9.844 7.857 ( -1.566 2.906 -0.440) 3.331 7.881 ( -1.426 1.856 -0.366) 2.369 8.177 ( -3.062 0.910 -3.748) 4.925 8.239 ( -4.764 -3.736 -1.509) 6.240 8.471 ( 4.124 4.676 -3.133) 6.978 8.537 ( 2.701 -0.933 -2.424) 3.747 8.596 ( -1.416 0.891 -0.151) 1.679 8.688 ( 0.605 -6.809 1.064) 6.919 9.281 ( -1.426 1.687 2.916) 3.659 9.298 ( -0.645 0.537 5.541) 5.605 9.592 ( 1.101 4.461 -5.928) 7.500 9.737 ( 0.112 -8.132 -5.794) 9.985 10.268 ( 2.608 9.615 0.120) 9.963 10.454 ( 0.845 -7.028 -2.008) 7.358 10.648 ( -1.070 0.720 -4.500) 4.681 10.682 ( 1.151 -1.869 -4.546) 5.048 10.758 ( -2.658 2.156 -4.655) 5.778 10.822 ( -0.824 -3.925 -6.413) 7.564 11.212 ( 5.481 3.004 -4.902) 7.943 11.295 ( 8.521 -3.330 -3.817) 9.913 11.650 ( 7.664 -0.312 7.214) 10.530 11.674 ( 7.447 -2.295 7.385) 10.735 11.847 ( -11.447 1.752 -2.528) 11.853 11.937 ( -8.497 -5.651 0.321) 10.209 12.342 ( -11.458 6.566 0.511) 13.216 12.499 ( -8.351 -7.351 1.630) 11.244 12.859 ( 6.986 1.088 -0.494) 7.088 12.868 ( 6.501 0.536 -2.658) 7.044 13.352 ( 1.619 0.648 0.076) 1.745 13.386 ( 4.197 -2.747 0.009) 5.016 13.693 ( -0.171 -0.033 -3.131) 3.136 13.710 ( -0.641 -1.350 -3.701) 3.991 14.685 ( 3.479 2.381 2.799) 5.060 14.712 ( -0.825 -0.192 3.385) 3.489 15.462 ( 3.585 10.290 -8.251) 13.668 15.575 ( 4.237 -0.060 -9.326) 10.243 15.856 ( -3.026 -0.020 6.411) 7.090 15.886 ( -4.123 -2.977 7.263) 8.866 16.563 ( 1.922 7.204 -4.956) 8.953 16.725 ( 4.102 -7.732 -6.569) 10.944 19.751 ( -0.975 1.641 8.239) 8.457 19.803 ( -2.034 -3.081 8.813) 9.555 20.307 ( 0.088 6.712 -1.841) 6.961 20.417 ( -0.101 -3.228 -0.082) 3.231 21.161 ( -1.039 -3.776 14.357) 14.881 21.168 ( -1.748 -4.162 11.830) 12.662 21.834 ( -0.704 -0.166 8.381) 8.412 21.847 ( -1.877 -1.277 7.811) 8.134 22.493 ( -1.314 2.884 4.277) 5.323 22.576 ( -2.191 -4.638 4.255) 6.665 23.591 ( 0.148 3.351 -0.525) 3.395 23.632 ( -0.021 -0.238 -1.344) 1.365 24.125 ( 0.022 3.402 -3.496) 4.878 24.204 ( 0.468 -4.163 -3.607) 5.528 24.946 ( 1.332 4.278 -11.235) 12.096 24.968 ( 0.734 2.127 -11.721) 11.935 ======================= Grid point 111 (61/104) ======================= q-point: ( 0.33 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( -1.758 7.859 11.828) 14.309 1.896 ( -6.368 -0.561 7.016) 9.491 2.149 ( -1.644 3.850 7.132) 8.270 2.214 ( 4.617 -0.475 -1.288) 4.817 2.451 ( -4.358 -0.626 6.714) 8.029 2.518 ( -1.234 -6.644 4.243) 7.979 2.823 ( -7.000 7.758 9.194) 13.918 2.893 ( -3.865 7.323 3.464) 8.976 3.003 ( -1.326 4.042 4.363) 6.093 3.217 ( -1.789 5.020 1.884) 5.653 3.241 ( 2.755 -7.602 -1.996) 8.328 3.328 ( 2.835 2.364 -5.082) 6.281 3.387 ( 1.600 -2.929 2.458) 4.145 3.419 ( 3.717 -6.298 -2.877) 7.859 3.538 ( -5.551 -0.773 2.790) 6.261 3.560 ( -7.299 -3.125 2.850) 8.436 4.056 ( -3.123 10.573 -3.470) 11.558 4.204 ( -3.421 -2.917 -3.541) 5.722 4.314 ( 5.673 17.859 10.405) 21.433 4.381 ( -3.032 9.849 4.642) 11.303 4.462 ( 2.195 3.365 -1.217) 4.197 4.643 ( -2.983 -7.536 6.953) 10.679 4.787 ( -2.209 2.882 5.555) 6.637 4.961 ( -1.559 -9.090 -0.521) 9.238 5.061 ( 1.767 6.697 1.236) 7.035 5.130 ( -3.138 0.598 1.657) 3.599 5.263 ( -2.580 5.646 2.184) 6.580 5.427 ( -4.187 -7.221 -0.376) 8.355 5.484 ( 6.156 6.345 -0.660) 8.865 5.598 ( 3.201 -4.727 -0.488) 5.730 5.697 ( 0.672 7.670 -1.142) 7.784 5.867 ( 4.302 -8.031 -0.417) 9.120 6.296 ( 1.250 2.065 0.491) 2.463 6.358 ( -0.743 -3.061 3.646) 4.818 6.439 ( 2.157 -0.308 1.406) 2.593 6.507 ( -2.622 -5.620 0.553) 6.226 6.809 ( 0.186 -1.682 1.783) 2.458 6.827 ( -0.516 -3.738 1.586) 4.093 6.864 ( 1.374 8.193 2.173) 8.587 7.062 ( -0.306 -9.403 2.450) 9.722 7.830 ( -0.881 3.695 -0.993) 3.926 7.845 ( -1.877 2.882 -2.147) 4.054 8.137 ( -1.898 -0.243 1.804) 2.630 8.178 ( 0.130 -4.448 -1.624) 4.737 8.516 ( 0.975 1.624 -4.696) 5.064 8.557 ( -0.874 -1.522 -4.597) 4.920 8.601 ( 3.059 4.049 -0.363) 5.088 8.712 ( 2.105 -5.652 1.006) 6.115 9.230 ( -3.285 4.211 2.104) 5.740 9.295 ( -1.852 -1.305 5.860) 6.283 9.620 ( 3.064 2.308 -5.517) 6.720 9.742 ( 2.210 -8.659 -6.455) 11.024 10.296 ( -0.204 8.934 1.520) 9.065 10.424 ( -3.900 -2.369 0.339) 4.576 10.622 ( -0.153 1.747 -6.658) 6.885 10.694 ( 1.705 -3.566 -6.246) 7.392 10.729 ( 0.685 2.266 -3.392) 4.136 10.821 ( 2.837 -6.122 -8.804) 11.092 11.326 ( 6.996 6.435 -3.365) 10.084 11.425 ( 4.240 1.485 -0.578) 4.529 11.603 ( -10.468 -0.339 -7.660) 12.975 11.734 ( -8.696 -6.619 -3.745) 11.552 11.764 ( 1.634 -0.255 3.407) 3.787 11.850 ( 6.014 -7.247 8.540) 12.713 12.185 ( -5.737 7.370 4.472) 10.355 12.361 ( -7.291 -8.970 5.736) 12.904 12.944 ( 3.331 1.729 -4.827) 6.115 12.949 ( 3.511 1.127 -3.218) 4.894 13.387 ( 1.719 2.315 0.033) 2.884 13.461 ( 3.244 -4.560 -0.953) 5.677 13.715 ( 2.703 -0.035 -0.189) 2.710 13.735 ( 3.541 -1.488 -0.262) 3.850 14.688 ( -2.465 3.421 2.812) 5.068 14.741 ( 1.660 -1.229 2.172) 2.997 15.484 ( 1.115 9.091 -9.178) 12.966 15.584 ( -1.202 -0.104 -9.457) 9.534 15.826 ( -0.640 1.548 4.816) 5.099 15.886 ( 1.536 -3.854 7.757) 8.796 16.581 ( 1.240 9.007 -4.537) 10.161 16.773 ( 2.640 -8.531 -7.022) 11.360 19.748 ( -1.682 1.106 8.334) 8.574 19.785 ( -2.052 -2.291 8.764) 9.288 20.303 ( 0.053 6.489 -2.026) 6.798 20.412 ( -0.312 -3.508 -0.652) 3.582 21.158 ( -1.985 -2.395 13.453) 13.808 21.195 ( -0.207 -6.010 13.778) 15.034 21.831 ( -1.911 -0.179 7.149) 7.402 21.844 ( -0.471 -1.540 8.215) 8.371 22.483 ( -0.830 1.883 4.182) 4.661 22.546 ( -2.058 -3.617 4.756) 6.320 23.598 ( 0.671 3.061 -0.155) 3.137 23.632 ( 0.401 0.129 -1.108) 1.185 24.118 ( 0.193 3.580 -3.155) 4.776 24.198 ( -0.128 -3.984 -3.558) 5.343 24.936 ( 0.743 4.180 -11.478) 12.238 24.951 ( 0.871 2.614 -11.196) 11.530 ======================= Grid point 112 (62/104) ======================= q-point: (-0.50 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( -8.335 6.494 8.337) 13.459 1.851 ( 1.316 -5.524 8.763) 10.442 2.174 ( -0.387 12.460 10.395) 16.231 2.332 ( 7.250 -1.463 1.251) 7.502 2.422 ( 1.246 1.436 3.199) 3.721 2.536 ( 1.611 -9.398 6.720) 11.665 2.783 ( 0.591 7.618 8.395) 11.352 2.861 ( -0.783 5.072 7.389) 8.996 3.006 ( 0.946 4.152 3.269) 5.368 3.158 ( -3.379 -0.473 -2.440) 4.194 3.246 ( -1.254 0.865 -3.233) 3.574 3.361 ( -1.908 -3.109 -0.976) 3.776 3.397 ( -0.931 -1.080 -0.353) 1.469 3.471 ( 4.252 -0.911 -2.818) 5.181 3.481 ( -1.007 -1.422 9.575) 9.732 3.550 ( 5.657 -3.075 -0.614) 6.467 4.004 ( -1.345 7.563 -2.979) 8.239 4.109 ( -3.410 -0.938 -5.714) 6.720 4.365 ( -0.862 14.777 6.289) 16.083 4.429 ( 1.529 6.593 5.419) 8.670 4.469 ( -2.859 4.807 1.069) 5.694 4.566 ( -5.153 3.178 4.417) 7.494 4.779 ( -0.131 -2.741 6.239) 6.816 4.925 ( -2.595 -8.792 0.249) 9.170 5.034 ( -2.200 1.496 1.720) 3.168 5.068 ( -3.864 0.938 0.222) 3.983 5.273 ( 1.089 4.070 2.685) 4.996 5.371 ( -1.611 -3.736 -0.786) 4.144 5.534 ( 1.690 4.462 -3.513) 5.925 5.598 ( -2.674 -2.325 -0.844) 3.643 5.721 ( 1.265 9.256 2.137) 9.584 5.929 ( 1.798 -8.775 -0.403) 8.967 6.304 ( 0.275 2.139 2.474) 3.282 6.375 ( -0.346 -4.596 2.848) 5.418 6.453 ( 0.145 0.750 2.527) 2.640 6.530 ( 3.681 -6.062 2.898) 7.661 6.800 ( -1.759 0.903 2.426) 3.129 6.849 ( 3.066 -3.784 2.628) 5.533 6.924 ( 3.415 2.811 0.201) 4.428 7.022 ( -4.456 -5.682 1.940) 7.477 7.817 ( 0.241 3.904 -2.308) 4.542 7.832 ( 1.207 2.544 -2.182) 3.562 8.132 ( 1.176 1.488 3.113) 3.646 8.226 ( 4.401 -6.760 0.962) 8.123 8.490 ( -1.755 0.756 -2.439) 3.099 8.527 ( -0.862 -2.312 -5.392) 5.930 8.645 ( 1.541 5.094 -2.893) 6.057 8.758 ( 2.206 -4.981 -1.034) 5.545 9.193 ( -1.356 3.456 2.707) 4.594 9.264 ( -2.957 -2.597 5.697) 6.924 9.661 ( 2.628 3.207 -6.157) 7.423 9.775 ( 2.814 -7.218 -6.588) 10.170 10.270 ( -2.740 5.873 3.468) 7.351 10.331 ( -5.569 0.739 0.024) 5.618 10.623 ( 2.561 2.853 -6.311) 7.385 10.712 ( 1.661 -3.748 -6.269) 7.490 10.761 ( 3.477 1.862 -2.121) 4.479 10.869 ( 4.580 -7.689 -10.244) 13.603 11.335 ( -8.961 6.630 -6.444) 12.876 11.378 ( -3.159 4.834 -6.297) 8.544 11.490 ( -3.169 -3.245 -0.764) 4.599 11.577 ( -4.152 -7.843 -4.230) 9.831 11.818 ( 1.729 5.219 4.560) 7.143 11.974 ( 5.404 -9.176 7.069) 12.782 12.175 ( 3.397 3.264 4.735) 6.680 12.289 ( -1.587 -7.383 6.507) 9.969 12.969 ( 0.214 1.454 -4.567) 4.797 12.975 ( 0.662 1.486 -5.118) 5.370 13.405 ( 0.026 2.426 0.356) 2.452 13.485 ( -0.301 -5.022 -1.293) 5.195 13.774 ( 3.287 1.047 0.684) 3.517 13.815 ( 4.557 -2.360 0.529) 5.159 14.637 ( -3.888 6.392 3.500) 8.260 14.754 ( -1.002 -4.159 2.780) 5.102 15.464 ( -0.333 5.191 -9.953) 11.230 15.503 ( -4.083 1.066 -8.174) 9.199 15.855 ( 1.879 4.849 3.963) 6.539 15.953 ( 3.159 -4.332 5.983) 8.034 16.581 ( -0.058 9.469 -4.554) 10.508 16.777 ( -0.293 -8.458 -7.102) 11.049 19.734 ( -1.962 1.460 8.402) 8.750 19.779 ( -1.122 -2.763 8.854) 9.343 20.300 ( 0.257 5.965 -1.979) 6.290 20.404 ( -0.221 -3.884 -1.139) 4.053 21.158 ( -2.065 -0.949 14.359) 14.538 21.219 ( -1.121 -6.900 13.751) 15.426 21.816 ( -1.513 0.948 6.843) 7.072 21.858 ( -0.352 -2.831 7.597) 8.115 22.484 ( -0.252 1.257 3.849) 4.057 22.535 ( -0.345 -2.802 5.277) 5.984 23.611 ( 0.625 2.737 0.194) 2.814 23.638 ( 0.486 0.437 -0.758) 1.001 24.118 ( 0.731 3.102 -3.175) 4.499 24.184 ( -0.272 -3.215 -3.431) 4.710 24.921 ( 1.042 4.655 -11.602) 12.544 24.946 ( 1.676 2.277 -11.286) 11.635 ======================= Grid point 113 (63/104) ======================= q-point: (-0.33 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -1.056 14.430 7.407) 16.255 1.919 ( 3.986 -10.941 4.391) 12.445 2.153 ( -4.570 15.589 12.584) 20.549 2.392 ( -0.803 -3.255 7.325) 8.056 2.536 ( 7.137 -0.052 1.235) 7.243 2.595 ( 2.218 -7.260 5.778) 9.540 2.869 ( 4.535 7.654 8.581) 12.361 2.907 ( 4.625 5.987 5.335) 9.257 3.038 ( 0.078 2.003 -0.034) 2.005 3.123 ( 2.193 -0.323 -4.031) 4.601 3.203 ( -2.857 -1.238 -3.317) 4.549 3.320 ( 0.265 -5.640 -2.179) 6.052 3.410 ( 1.519 2.181 6.332) 6.867 3.505 ( 0.166 -5.032 5.780) 7.665 3.542 ( 3.165 8.806 -2.430) 9.668 3.668 ( 6.620 -1.738 -1.667) 7.044 4.006 ( 2.654 4.768 -1.552) 5.673 4.070 ( 0.542 -0.170 -6.049) 6.076 4.267 ( -10.832 17.575 11.269) 23.520 4.390 ( -2.337 4.497 2.342) 5.583 4.452 ( -1.585 -2.742 6.439) 7.176 4.541 ( -0.134 2.805 3.023) 4.126 4.790 ( -0.560 -4.296 6.327) 7.668 4.867 ( -3.039 -6.357 -0.130) 7.047 5.000 ( -3.672 1.898 3.763) 5.590 5.037 ( 1.768 -1.574 -0.127) 2.371 5.312 ( 2.757 1.774 -0.719) 3.357 5.359 ( 0.743 -0.483 -1.460) 1.708 5.485 ( -8.676 5.829 -0.384) 10.459 5.565 ( 1.872 0.011 -1.057) 2.149 5.749 ( 0.471 6.513 2.432) 6.968 5.932 ( -0.610 -8.538 -1.572) 8.703 6.314 ( -0.623 0.949 2.213) 2.487 6.349 ( -2.272 -1.830 0.958) 3.070 6.486 ( 2.269 3.580 2.640) 4.993 6.614 ( 4.277 -7.199 0.351) 8.381 6.760 ( -3.264 2.264 3.777) 5.481 6.863 ( -5.163 -6.650 2.652) 8.827 6.963 ( 1.939 0.324 0.608) 2.058 6.998 ( 2.794 -2.603 0.670) 3.877 7.838 ( 2.448 3.443 -3.036) 5.202 7.859 ( 1.908 1.649 -2.114) 3.291 8.186 ( 3.409 3.687 2.642) 5.674 8.315 ( 3.916 -7.726 1.667) 8.821 8.458 ( -0.957 2.093 -2.151) 3.150 8.515 ( 0.838 -3.640 -0.491) 3.767 8.635 ( -1.170 5.254 -4.601) 7.081 8.764 ( -1.317 -5.889 -3.802) 7.133 9.195 ( 0.637 0.888 2.925) 3.122 9.226 ( -2.320 -1.896 5.165) 5.971 9.681 ( 1.565 5.104 -7.028) 8.826 9.788 ( -0.202 -4.692 -5.380) 7.142 10.230 ( -2.931 3.700 2.988) 5.587 10.271 ( 0.705 1.223 -0.452) 1.482 10.676 ( 3.329 -0.057 -6.114) 6.962 10.714 ( 0.655 -2.569 -3.641) 4.504 10.843 ( 5.705 0.949 -1.520) 5.979 10.919 ( 3.011 -7.041 -8.915) 11.753 11.180 ( -4.914 4.826 -8.207) 10.715 11.263 ( -4.286 -2.622 -7.326) 8.884 11.403 ( -6.797 2.350 1.577) 7.363 11.488 ( -5.559 -4.797 -1.533) 7.501 11.878 ( 3.577 7.737 5.914) 10.374 12.077 ( 3.649 -10.430 7.527) 13.370 12.305 ( 8.968 0.350 2.143) 9.227 12.345 ( 5.836 -3.542 4.369) 8.105 12.912 ( -5.145 2.761 -4.169) 7.175 12.947 ( -2.622 -0.059 -5.793) 6.359 13.391 ( -1.563 1.079 0.591) 1.989 13.447 ( -3.225 -4.207 -1.004) 5.395 13.823 ( 1.647 1.962 -0.937) 2.727 13.880 ( 2.095 -3.083 -1.817) 4.147 14.575 ( -3.542 8.030 4.974) 10.088 14.726 ( -2.591 -5.764 4.384) 7.691 15.417 ( -2.167 4.017 -8.123) 9.317 15.442 ( 0.736 1.736 -10.250) 10.422 15.898 ( 1.328 6.170 4.705) 7.872 16.010 ( 1.134 -4.395 5.462) 7.102 16.560 ( -0.655 8.228 -5.064) 9.684 16.734 ( -2.153 -7.707 -6.711) 10.444 19.726 ( -1.233 2.125 8.355) 8.709 19.787 ( -0.523 -3.748 9.018) 9.780 20.302 ( 0.423 5.611 -1.762) 5.896 20.400 ( 0.203 -3.941 -1.031) 4.079 21.152 ( -2.540 -0.009 14.665) 14.884 21.223 ( -2.216 -6.846 13.220) 15.051 21.812 ( -0.882 1.580 7.039) 7.268 21.867 ( -0.756 -3.334 7.341) 8.098 22.492 ( 0.037 2.068 3.977) 4.483 22.558 ( 1.088 -3.453 4.919) 6.107 23.617 ( -0.092 2.704 0.133) 2.709 23.644 ( 0.289 0.391 -0.583) 0.759 24.129 ( 1.333 2.025 -3.723) 4.442 24.174 ( 0.120 -2.241 -3.146) 3.864 24.919 ( 1.943 5.057 -11.708) 12.901 24.955 ( 2.353 1.704 -11.635) 11.992 ======================= Grid point 114 (64/104) ======================= q-point: (-0.17 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 5.182 17.201 5.886) 18.905 1.996 ( 2.312 -7.260 2.658) 8.070 2.095 ( -4.301 15.867 9.961) 19.222 2.400 ( 0.399 -8.037 6.469) 10.325 2.602 ( -0.857 -2.037 3.474) 4.117 2.629 ( -0.298 -3.702 6.476) 7.466 2.964 ( 3.366 5.808 8.704) 10.992 2.999 ( 1.241 0.837 3.230) 3.560 3.011 ( -0.273 5.125 -7.535) 9.117 3.163 ( 1.289 -2.546 -0.562) 2.908 3.190 ( 3.865 3.090 -2.432) 5.514 3.294 ( -4.052 -0.388 1.023) 4.197 3.466 ( 0.698 -4.565 -3.024) 5.520 3.473 ( -4.119 -1.197 5.997) 7.373 3.609 ( 5.717 13.989 0.488) 15.120 3.764 ( 3.537 0.949 -0.933) 3.779 4.056 ( 0.967 2.736 -1.193) 3.137 4.107 ( 3.940 0.084 -2.548) 4.693 4.148 ( -3.905 11.405 13.773) 18.303 4.366 ( -0.660 6.757 3.444) 7.613 4.446 ( -0.207 -11.179 9.732) 14.823 4.565 ( 1.536 -6.982 6.580) 9.716 4.824 ( 3.665 3.247 7.073) 8.603 4.862 ( 3.205 1.169 1.105) 3.587 4.947 ( -2.935 3.950 3.890) 6.273 5.062 ( 0.522 -4.325 -2.608) 5.077 5.258 ( -9.238 11.538 -2.180) 14.941 5.395 ( 2.705 -0.173 -2.281) 3.543 5.419 ( 3.196 -0.879 0.018) 3.315 5.552 ( -4.307 -11.313 1.220) 12.166 5.748 ( 0.172 10.440 -0.497) 10.454 5.912 ( -1.414 -5.283 -3.114) 6.293 6.279 ( -2.768 0.429 0.395) 2.829 6.317 ( -1.390 -1.741 0.432) 2.269 6.530 ( 1.450 5.600 0.973) 5.866 6.633 ( -2.036 -1.849 -3.105) 4.148 6.746 ( -0.690 -1.969 6.145) 6.489 6.784 ( -0.941 -5.313 4.122) 6.790 6.995 ( 0.774 -0.574 -2.098) 2.309 7.036 ( 0.564 -4.905 1.083) 5.054 7.877 ( 2.012 2.206 -3.198) 4.375 7.879 ( 1.036 1.984 -1.621) 2.763 8.254 ( 3.049 3.344 1.522) 4.774 8.341 ( -1.149 -3.824 -0.020) 3.993 8.436 ( -1.670 4.851 -2.260) 5.607 8.543 ( 0.819 -5.688 1.600) 5.965 8.619 ( 1.521 0.481 -2.376) 2.862 8.694 ( -4.229 -5.136 -4.977) 8.309 9.209 ( 0.357 0.728 5.257) 5.320 9.239 ( 2.263 -1.944 2.630) 3.977 9.679 ( -0.629 5.514 -6.711) 8.709 9.758 ( -0.466 -1.985 -4.638) 5.067 10.201 ( -0.576 6.113 1.788) 6.395 10.331 ( 5.099 -3.998 -2.428) 6.919 10.662 ( -0.736 -0.699 -6.727) 6.804 10.741 ( 0.681 -6.252 -2.905) 6.928 10.906 ( -0.901 0.024 -2.939) 3.074 10.925 ( 0.135 -2.158 -2.922) 3.635 11.126 ( 0.400 4.188 -7.000) 8.167 11.222 ( 0.824 -4.378 -8.344) 9.458 11.315 ( -0.584 3.679 1.615) 4.060 11.419 ( 0.328 -5.705 4.382) 7.201 11.957 ( 2.585 7.548 6.783) 10.472 12.134 ( 0.077 -8.923 5.830) 10.659 12.487 ( 10.190 0.227 -1.001) 10.242 12.501 ( 9.841 -1.574 3.110) 10.440 12.768 ( -9.176 4.119 -2.805) 10.442 12.843 ( -7.209 -2.435 -4.608) 8.896 13.358 ( -1.824 -0.198 0.154) 1.841 13.383 ( -3.048 -2.559 -0.460) 4.007 13.813 ( -2.249 1.789 -4.060) 4.974 13.863 ( -3.024 -2.684 -5.265) 6.638 14.556 ( 0.202 7.831 6.231) 10.009 14.701 ( -1.155 -5.655 5.518) 7.985 15.386 ( 1.071 6.745 -7.825) 10.386 15.454 ( 3.276 0.349 -9.695) 10.239 15.917 ( -0.815 5.026 5.811) 7.727 16.014 ( -2.311 -3.859 5.734) 7.288 16.541 ( 0.245 6.328 -5.535) 8.411 16.683 ( -1.075 -6.808 -6.295) 9.335 19.731 ( -0.553 2.419 8.260) 8.625 19.802 ( -0.522 -4.276 9.080) 10.050 20.305 ( 0.409 5.857 -1.634) 6.094 20.406 ( 0.550 -3.760 -0.406) 3.821 21.142 ( -2.423 0.018 14.325) 14.529 21.208 ( -2.861 -6.383 12.482) 14.309 21.818 ( -0.630 1.438 7.714) 7.872 21.867 ( -1.287 -2.901 7.508) 8.151 22.503 ( -0.146 3.067 4.123) 5.141 22.588 ( 0.615 -4.470 4.365) 6.278 23.609 ( -0.669 3.110 -0.334) 3.199 23.645 ( -0.082 -0.055 -0.725) 0.732 24.139 ( 0.648 1.601 -4.402) 4.729 24.179 ( 1.316 -2.276 -2.861) 3.885 24.931 ( 2.442 5.044 -11.643) 12.921 24.969 ( 2.419 1.348 -12.000) 12.316 ======================= Grid point 133 (65/104) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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| 1.307 ( 4.900 0.000 18.984) 19.606 1.594 ( 5.458 0.000 18.991) 19.760 1.807 ( -2.663 0.000 -2.087) 3.383 2.156 ( 1.516 0.000 12.967) 13.055 2.466 ( 1.001 0.000 -2.194) 2.411 2.632 ( -4.191 0.000 4.851) 6.411 2.804 ( 2.247 0.000 2.532) 3.385 2.810 ( 3.050 0.000 -4.548) 5.475 2.854 ( -9.517 0.000 -5.752) 11.120 2.951 ( 2.665 0.000 -2.341) 3.547 3.273 ( -0.669 0.000 8.345) 8.371 3.286 ( -4.825 0.000 -3.304) 5.848 3.474 ( -3.877 0.000 6.031) 7.169 3.528 ( 4.322 0.000 1.254) 4.500 3.581 ( -3.902 0.000 16.215) 16.678 3.721 ( 3.594 0.000 7.666) 8.466 3.842 ( -1.030 0.000 2.643) 2.836 4.012 ( -4.634 0.000 0.523) 4.663 4.262 ( 9.614 0.000 0.214) 9.616 4.316 ( -9.338 0.000 -8.504) 12.630 4.373 ( -6.970 0.000 5.549) 8.909 4.482 ( 1.569 0.000 6.587) 6.771 4.679 ( 5.288 0.000 -0.147) 5.290 4.834 ( -0.871 0.000 -0.614) 1.066 4.898 ( 5.498 0.000 -3.713) 6.634 4.928 ( 4.848 0.000 -6.591) 8.182 5.109 ( -6.117 0.000 -7.990) 10.062 5.312 ( 2.092 0.000 -3.908) 4.433 5.518 ( -0.844 0.000 2.358) 2.504 5.548 ( -4.403 0.000 -3.062) 5.363 5.914 ( -0.110 0.000 2.915) 2.917 6.039 ( 1.072 0.000 -1.156) 1.576 6.194 ( 0.260 0.000 6.168) 6.174 6.402 ( 0.327 0.000 -2.672) 2.692 6.616 ( -0.396 0.000 -1.684) 1.729 6.697 ( -1.552 0.000 -3.991) 4.282 6.928 ( 0.243 0.000 5.776) 5.781 6.975 ( -3.987 0.000 -1.733) 4.347 6.995 ( 7.769 0.000 1.528) 7.918 7.118 ( 0.553 0.000 -0.939) 1.090 7.576 ( -2.781 0.000 0.354) 2.803 7.712 ( 4.015 0.000 -5.303) 6.651 8.130 ( 3.848 0.000 0.211) 3.854 8.233 ( -3.045 0.000 -3.746) 4.827 8.415 ( 0.326 0.000 -1.452) 1.488 8.438 ( -5.359 0.000 -3.213) 6.248 8.816 ( -4.278 0.000 1.554) 4.551 8.896 ( 5.017 0.000 -2.620) 5.660 9.183 ( -3.368 0.000 4.529) 5.644 9.309 ( -1.279 0.000 -0.684) 1.451 9.692 ( -3.110 0.000 4.948) 5.844 9.850 ( 11.786 0.000 -1.152) 11.842 10.405 ( -1.759 0.000 -0.652) 1.876 10.459 ( 5.532 0.000 -1.364) 5.698 10.619 ( -11.658 0.000 -4.446) 12.477 10.703 ( -0.595 0.000 -6.110) 6.139 10.910 ( -6.892 0.000 1.319) 7.017 11.046 ( -4.563 0.000 -1.785) 4.899 11.064 ( -3.153 0.000 0.041) 3.153 11.210 ( 3.123 0.000 -11.668) 12.079 11.597 ( 15.465 0.000 6.964) 16.960 11.820 ( -2.560 0.000 -1.049) 2.767 11.898 ( 1.317 0.000 1.626) 2.093 12.102 ( -5.225 0.000 -9.128) 10.518 12.419 ( 14.180 0.000 -1.392) 14.249 12.488 ( -10.785 0.000 -2.046) 10.978 12.854 ( -8.186 0.000 7.223) 10.917 12.977 ( 13.347 0.000 0.249) 13.349 13.377 ( 3.037 0.000 4.388) 5.337 13.542 ( -1.990 0.000 -3.855) 4.339 13.693 ( 0.080 0.000 3.036) 3.037 13.814 ( -4.337 0.000 -3.449) 5.542 14.450 ( -1.017 0.000 1.017) 1.438 14.565 ( 2.537 0.000 -3.398) 4.241 14.889 ( 1.463 0.000 1.867) 2.372 14.951 ( 0.424 0.000 -0.921) 1.014 16.022 ( 2.389 0.000 5.003) 5.544 16.206 ( 0.176 0.000 -3.992) 3.996 16.340 ( -1.548 0.000 11.337) 11.442 16.744 ( 0.790 0.000 -9.156) 9.190 19.802 ( 1.202 0.000 4.439) 4.599 19.946 ( -2.290 0.000 -2.655) 3.506 20.210 ( -2.099 0.000 9.327) 9.560 20.528 ( -4.379 0.000 -3.753) 5.767 21.767 ( 0.850 0.000 11.853) 11.884 21.976 ( -1.856 0.000 7.476) 7.703 22.102 ( -1.512 0.000 9.741) 9.858 22.355 ( 1.852 0.000 -4.880) 5.220 22.486 ( -0.704 0.000 2.492) 2.589 22.638 ( 3.428 0.000 -1.938) 3.938 23.287 ( -0.593 0.000 4.399) 4.439 23.350 ( 0.538 0.000 -0.349) 0.641 23.929 ( 0.466 0.000 2.645) 2.686 24.230 ( 1.242 0.000 -11.528) 11.595 24.311 ( -1.385 0.000 1.261) 1.873 24.524 ( 2.919 0.000 -9.399) 9.842 ======================= Grid point 134 (66/104) ======================= q-point: ( 0.17 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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| 1.523 ( 12.224 0.000 12.148) 17.234 1.799 ( 10.910 0.000 18.120) 21.151 1.818 ( 5.006 0.000 -2.453) 5.575 2.198 ( 1.184 0.000 2.487) 2.755 2.481 ( -11.643 0.000 -0.811) 11.672 2.515 ( 2.429 0.000 7.733) 8.106 2.622 ( -13.693 0.000 -0.725) 13.713 2.842 ( 1.406 0.000 0.471) 1.483 2.856 ( -0.146 0.000 0.235) 0.277 2.929 ( -2.382 0.000 -3.960) 4.621 3.154 ( -8.494 0.000 0.366) 8.502 3.279 ( -1.289 0.000 -0.178) 1.301 3.425 ( -0.520 0.000 13.156) 13.166 3.553 ( -3.356 0.000 15.055) 15.424 3.600 ( 2.407 0.000 2.223) 3.276 3.810 ( -3.693 0.000 1.220) 3.889 3.878 ( 9.761 0.000 7.611) 12.377 3.908 ( -5.695 0.000 -0.503) 5.717 4.104 ( -9.333 0.000 -4.697) 10.448 4.236 ( -9.170 0.000 4.888) 10.391 4.349 ( -3.366 0.000 6.934) 7.708 4.483 ( -0.002 0.000 -0.249) 0.249 4.760 ( 4.079 0.000 -1.679) 4.411 4.864 ( 1.771 0.000 -5.787) 6.052 4.992 ( 4.580 0.000 -13.568) 14.321 5.026 ( -0.681 0.000 5.099) 5.145 5.027 ( 7.213 0.000 -1.915) 7.463 5.273 ( -3.476 0.000 -7.363) 8.142 5.446 ( -5.167 0.000 0.216) 5.172 5.473 ( -3.138 0.000 2.739) 4.165 6.012 ( 7.979 0.000 5.708) 9.810 6.095 ( 4.414 0.000 -3.458) 5.607 6.258 ( 5.070 0.000 5.046) 7.153 6.414 ( 1.037 0.000 -2.521) 2.726 6.635 ( 3.192 0.000 0.341) 3.210 6.667 ( -0.533 0.000 -5.055) 5.083 6.900 ( -3.594 0.000 -2.169) 4.198 6.920 ( -2.456 0.000 4.641) 5.251 7.077 ( -4.447 0.000 -2.257) 4.987 7.112 ( 4.219 0.000 0.279) 4.228 7.521 ( -2.390 0.000 -2.977) 3.818 7.679 ( -5.793 0.000 -3.122) 6.580 8.205 ( 3.277 0.000 2.764) 4.287 8.257 ( 6.696 0.000 -6.410) 9.270 8.374 ( -1.031 0.000 -0.503) 1.148 8.454 ( 3.628 0.000 2.062) 4.173 8.728 ( -4.819 0.000 0.738) 4.875 8.936 ( -0.427 0.000 -1.993) 2.038 9.124 ( -3.312 0.000 2.595) 4.207 9.182 ( -9.718 0.000 1.829) 9.889 9.753 ( 6.908 0.000 1.352) 7.039 10.053 ( 8.118 0.000 1.255) 8.215 10.342 ( -15.498 0.000 5.511) 16.449 10.388 ( 1.713 0.000 -6.959) 7.166 10.535 ( 2.157 0.000 -0.891) 2.334 10.685 ( -0.534 0.000 -0.629) 0.825 10.812 ( -3.576 0.000 3.863) 5.265 10.951 ( -4.828 0.000 -0.869) 4.906 11.050 ( 1.529 0.000 -1.605) 2.217 11.250 ( 4.032 0.000 -8.917) 9.786 11.835 ( 4.532 0.000 -5.786) 7.350 11.840 ( 4.507 0.000 0.831) 4.583 11.920 ( -9.784 0.000 -8.754) 13.128 11.973 ( 7.491 0.000 5.270) 9.159 12.245 ( -12.576 0.000 -3.020) 12.934 12.648 ( 8.869 0.000 -1.833) 9.057 12.745 ( -3.729 0.000 5.615) 6.741 13.217 ( 10.192 0.000 -3.468) 10.766 13.423 ( 0.531 0.000 3.616) 3.655 13.474 ( -3.278 0.000 -3.375) 4.705 13.733 ( 2.718 0.000 4.527) 5.281 13.789 ( 2.940 0.000 -2.244) 3.698 14.464 ( 1.767 0.000 2.476) 3.042 14.624 ( 4.610 0.000 -5.961) 7.535 14.884 ( -2.505 0.000 2.005) 3.209 14.929 ( -2.116 0.000 -3.028) 3.694 16.061 ( 0.392 0.000 2.125) 2.161 16.194 ( -0.276 0.000 -4.003) 4.012 16.352 ( -0.434 0.000 11.611) 11.619 16.745 ( 1.841 0.000 -8.974) 9.161 19.826 ( -0.094 0.000 4.573) 4.574 19.891 ( -2.392 0.000 -1.535) 2.842 20.206 ( -1.011 0.000 10.316) 10.365 20.499 ( 1.559 0.000 -0.204) 1.572 21.783 ( -2.133 0.000 11.115) 11.317 21.955 ( -2.260 0.000 6.786) 7.153 22.091 ( -2.071 0.000 9.032) 9.266 22.314 ( -3.524 0.000 -2.725) 4.455 22.488 ( 0.183 0.000 2.566) 2.573 22.742 ( 6.863 0.000 -6.130) 9.202 23.279 ( -1.272 0.000 3.269) 3.508 23.363 ( 0.705 0.000 0.299) 0.766 23.940 ( -0.074 0.000 1.985) 1.986 24.223 ( 1.238 0.000 -11.574) 11.640 24.285 ( -1.496 0.000 1.097) 1.855 24.530 ( 0.331 0.000 -9.115) 9.121 ======================= Grid point 135 (67/104) ======================= q-point: ( 0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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| 1.752 ( 9.108 0.000 7.499) 11.798 1.985 ( 14.018 0.000 -3.333) 14.409 2.051 ( 10.395 0.000 18.429) 21.158 2.230 ( 2.115 0.000 -0.174) 2.122 2.281 ( -8.334 0.000 -1.667) 8.499 2.350 ( -16.394 0.000 3.123) 16.689 2.563 ( -0.454 0.000 10.436) 10.446 2.669 ( -14.380 0.000 -1.984) 14.516 2.848 ( -2.173 0.000 3.691) 4.283 2.960 ( 2.087 0.000 -4.493) 4.954 3.001 ( -6.631 0.000 -0.914) 6.693 3.211 ( -3.320 0.000 -9.581) 10.140 3.528 ( -4.407 0.000 17.062) 17.622 3.571 ( 9.683 0.000 19.823) 22.061 3.614 ( -1.916 0.000 4.041) 4.472 3.739 ( -1.372 0.000 -3.544) 3.800 3.800 ( -4.660 0.000 -0.127) 4.662 3.946 ( -8.555 0.000 6.401) 10.684 4.097 ( 11.224 0.000 1.674) 11.348 4.137 ( -1.672 0.000 1.887) 2.521 4.246 ( -6.215 0.000 6.344) 8.881 4.482 ( -2.270 0.000 -1.462) 2.700 4.828 ( 3.940 0.000 -1.486) 4.211 4.834 ( -0.497 0.000 -7.379) 7.395 5.003 ( -1.611 0.000 -5.143) 5.389 5.079 ( -1.540 0.000 -1.473) 2.131 5.080 ( 4.158 0.000 0.186) 4.163 5.181 ( -4.231 0.000 -6.516) 7.770 5.427 ( 3.141 0.000 2.375) 3.938 5.466 ( 1.447 0.000 4.220) 4.461 6.110 ( -2.280 0.000 -3.553) 4.221 6.157 ( 4.268 0.000 6.075) 7.424 6.414 ( 0.496 0.000 -3.372) 3.408 6.415 ( 10.263 0.000 2.180) 10.492 6.668 ( 2.327 0.000 -3.906) 4.546 6.727 ( 4.959 0.000 1.087) 5.077 6.839 ( -2.426 0.000 -3.015) 3.870 6.862 ( -4.954 0.000 2.229) 5.432 6.972 ( -4.393 0.000 -1.723) 4.719 7.136 ( -1.612 0.000 -0.704) 1.759 7.489 ( 0.367 0.000 -5.711) 5.723 7.546 ( -6.770 0.000 -1.996) 7.058 8.253 ( 0.656 0.000 5.203) 5.244 8.389 ( 6.523 0.000 -3.347) 7.332 8.397 ( 5.181 0.000 -3.182) 6.080 8.536 ( 3.740 0.000 6.226) 7.262 8.665 ( -1.966 0.000 -1.806) 2.670 8.879 ( -4.517 0.000 -0.771) 4.582 9.050 ( -3.848 0.000 0.162) 3.852 9.081 ( -2.168 0.000 0.007) 2.168 9.899 ( 8.240 0.000 1.337) 8.348 10.087 ( -4.670 0.000 3.264) 5.698 10.125 ( -10.018 0.000 10.247) 14.330 10.465 ( 8.824 0.000 -12.469) 15.275 10.569 ( 1.865 0.000 3.484) 3.951 10.661 ( -3.229 0.000 4.259) 5.344 10.787 ( -0.385 0.000 2.666) 2.694 10.898 ( 0.381 0.000 -2.702) 2.729 11.097 ( 3.788 0.000 -4.257) 5.698 11.296 ( 2.555 0.000 -8.181) 8.571 11.718 ( -9.846 0.000 -6.818) 11.976 11.800 ( -10.876 0.000 -3.603) 11.457 11.891 ( -5.979 0.000 -3.540) 6.949 11.926 ( 6.650 0.000 -7.800) 10.250 12.271 ( 7.675 0.000 7.871) 10.994 12.711 ( -1.321 0.000 -3.109) 3.378 12.786 ( 6.000 0.000 8.371) 10.299 13.319 ( 4.393 0.000 -3.574) 5.663 13.411 ( -2.622 0.000 2.795) 3.832 13.433 ( -1.091 0.000 -4.919) 5.038 13.799 ( 2.793 0.000 4.730) 5.493 13.882 ( 6.462 0.000 -2.281) 6.853 14.507 ( 1.457 0.000 4.293) 4.533 14.684 ( 3.368 0.000 -6.418) 7.248 14.817 ( -4.922 0.000 1.311) 5.093 14.876 ( -1.896 0.000 -5.303) 5.631 16.043 ( -2.643 0.000 1.959) 3.290 16.181 ( 0.051 0.000 -3.906) 3.907 16.376 ( -0.479 0.000 11.731) 11.740 16.762 ( 2.261 0.000 -8.692) 8.981 19.818 ( -1.988 0.000 4.416) 4.843 19.867 ( 0.263 0.000 -0.765) 0.809 20.223 ( -0.247 0.000 11.232) 11.235 20.568 ( 5.784 0.000 -1.774) 6.050 21.746 ( -5.089 0.000 11.783) 12.835 21.936 ( -1.245 0.000 5.697) 5.831 22.077 ( -1.859 0.000 8.913) 9.105 22.246 ( -3.154 0.000 -0.299) 3.168 22.502 ( 0.337 0.000 3.547) 3.563 22.819 ( 3.278 0.000 -8.278) 8.904 23.262 ( -1.305 0.000 3.334) 3.581 23.373 ( 0.294 0.000 -0.009) 0.295 23.934 ( -1.008 0.000 1.542) 1.842 24.219 ( 1.560 0.000 -11.626) 11.730 24.271 ( -0.145 0.000 1.133) 1.142 24.499 ( -1.039 0.000 -8.185) 8.251 ======================= Grid point 136 (68/104) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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| 1.851 ( -2.845 0.000 9.757) 10.163 1.994 ( -18.890 0.000 9.410) 21.105 2.146 ( -3.623 0.000 -4.099) 5.470 2.215 ( -10.311 0.000 4.805) 11.376 2.310 ( 14.988 0.000 -0.468) 14.996 2.313 ( 10.877 0.000 16.889) 20.089 2.379 ( -2.934 0.000 -6.001) 6.680 2.661 ( 3.936 0.000 9.162) 9.972 2.788 ( -2.146 0.000 5.930) 6.306 2.936 ( -2.259 0.000 -9.230) 9.502 2.957 ( 1.178 0.000 -2.814) 3.051 3.156 ( 1.256 0.000 -11.789) 11.855 3.467 ( -5.999 0.000 18.467) 19.417 3.559 ( -4.403 0.000 4.102) 6.017 3.689 ( -2.221 0.000 11.713) 11.922 3.751 ( -0.985 0.000 0.318) 1.035 3.841 ( 1.455 0.000 0.238) 1.474 3.894 ( 9.539 0.000 13.706) 16.699 4.169 ( -2.234 0.000 8.306) 8.601 4.178 ( 5.493 0.000 1.920) 5.819 4.287 ( 4.961 0.000 -5.994) 7.781 4.377 ( -4.897 0.000 -6.889) 8.452 4.837 ( 0.791 0.000 0.283) 0.841 4.887 ( 1.846 0.000 -0.018) 1.846 4.929 ( -3.931 0.000 -3.539) 5.290 5.012 ( -3.673 0.000 -4.225) 5.599 5.098 ( -2.964 0.000 -2.663) 3.985 5.167 ( 5.711 0.000 -3.753) 6.834 5.511 ( 1.119 0.000 5.142) 5.263 5.522 ( 5.370 0.000 2.371) 5.870 6.025 ( -4.935 0.000 -1.320) 5.109 6.147 ( -4.749 0.000 -0.632) 4.791 6.482 ( 6.799 0.000 4.037) 7.907 6.587 ( 6.456 0.000 0.015) 6.456 6.685 ( -8.843 0.000 -2.480) 9.184 6.702 ( -0.516 0.000 -4.437) 4.467 6.768 ( -2.985 0.000 0.282) 2.999 6.818 ( 2.689 0.000 -1.110) 2.909 7.019 ( 7.242 0.000 0.210) 7.245 7.057 ( -6.436 0.000 -1.167) 6.541 7.450 ( -2.545 0.000 -2.398) 3.497 7.509 ( 3.304 0.000 -5.931) 6.789 8.239 ( -3.832 0.000 5.684) 6.855 8.482 ( 5.722 0.000 0.315) 5.731 8.490 ( 3.246 0.000 -6.229) 7.024 8.577 ( -2.106 0.000 -0.539) 2.174 8.678 ( 4.957 0.000 3.206) 5.903 8.803 ( -2.963 0.000 -1.520) 3.330 9.043 ( -1.193 0.000 -1.048) 1.588 9.048 ( 3.000 0.000 -1.106) 3.197 9.954 ( -9.610 0.000 3.048) 10.082 10.018 ( -5.483 0.000 11.616) 12.846 10.050 ( 7.717 0.000 0.023) 7.717 10.587 ( -1.815 0.000 -0.651) 1.928 10.605 ( 5.881 0.000 -9.362) 11.056 10.661 ( 7.929 0.000 9.446) 12.333 10.806 ( 1.660 0.000 1.606) 2.309 10.947 ( 4.759 0.000 -1.403) 4.961 11.133 ( 0.890 0.000 -8.177) 8.225 11.265 ( -3.412 0.000 -12.216) 12.683 11.549 ( -6.478 0.000 -1.215) 6.591 11.560 ( -10.341 0.000 -2.646) 10.674 11.852 ( -0.382 0.000 0.015) 0.383 12.020 ( 5.510 0.000 -9.507) 10.988 12.414 ( 6.571 0.000 6.835) 9.482 12.622 ( -5.814 0.000 -4.287) 7.224 12.944 ( 6.537 0.000 11.128) 12.906 13.336 ( -5.710 0.000 -9.005) 10.662 13.349 ( -4.532 0.000 2.100) 4.995 13.427 ( 4.803 0.000 -1.428) 5.011 13.836 ( -0.511 0.000 3.844) 3.878 13.973 ( 3.696 0.000 -3.285) 4.945 14.533 ( 0.289 0.000 4.791) 4.799 14.711 ( 0.825 0.000 -4.266) 4.345 14.728 ( -4.085 0.000 -0.186) 4.089 14.847 ( 0.310 0.000 -5.423) 5.432 15.991 ( -3.491 0.000 4.442) 5.650 16.179 ( 0.868 0.000 -3.826) 3.923 16.387 ( -1.628 0.000 11.493) 11.608 16.777 ( 1.664 0.000 -8.590) 8.750 19.786 ( -2.314 0.000 4.202) 4.797 19.891 ( 2.328 0.000 -0.812) 2.466 20.243 ( -0.847 0.000 11.031) 11.064 20.682 ( 7.249 0.000 -7.537) 10.457 21.668 ( -6.520 0.000 14.759) 16.135 21.942 ( 0.232 0.000 5.364) 5.369 22.072 ( -1.266 0.000 9.559) 9.642 22.202 ( -1.744 0.000 1.274) 2.160 22.513 ( -0.292 0.000 4.382) 4.392 22.819 ( -0.720 0.000 -8.427) 8.458 23.254 ( -0.575 0.000 4.441) 4.478 23.372 ( -0.327 0.000 -1.008) 1.059 23.917 ( -1.143 0.000 1.893) 2.212 24.222 ( 2.022 0.000 -11.663) 11.837 24.285 ( 1.084 0.000 1.255) 1.658 24.463 ( -0.483 0.000 -7.630) 7.646 ======================= Grid point 137 (69/104) ======================= q-point: (-0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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| 1.619 ( -21.640 0.000 12.681) 25.082 1.693 ( -15.472 0.000 12.927) 20.162 2.042 ( -7.059 0.000 -0.711) 7.094 2.086 ( -2.693 0.000 8.345) 8.768 2.436 ( 4.936 0.000 -3.212) 5.890 2.469 ( 6.592 0.000 9.272) 11.376 2.608 ( 10.899 0.000 5.604) 12.255 2.753 ( 3.314 0.000 8.564) 9.183 2.859 ( -1.862 0.000 -14.525) 14.644 2.886 ( 8.436 0.000 2.352) 8.758 3.017 ( 8.451 0.000 -1.387) 8.565 3.205 ( 5.863 0.000 -9.687) 11.323 3.431 ( -2.967 0.000 21.469) 21.674 3.500 ( -2.837 0.000 3.139) 4.231 3.656 ( -4.752 0.000 18.528) 19.128 3.758 ( 1.385 0.000 1.731) 2.217 3.846 ( 1.575 0.000 -7.406) 7.571 4.124 ( -9.985 0.000 -5.868) 11.581 4.134 ( 10.402 0.000 12.655) 16.382 4.175 ( -1.927 0.000 4.969) 5.330 4.324 ( 8.927 0.000 1.035) 8.987 4.421 ( 3.712 0.000 -7.757) 8.600 4.825 ( -0.708 0.000 -2.285) 2.392 4.837 ( -7.148 0.000 -4.003) 8.192 4.891 ( -0.357 0.000 0.857) 0.928 4.943 ( -2.641 0.000 -5.568) 6.163 5.104 ( 3.905 0.000 1.892) 4.339 5.254 ( 4.522 0.000 -6.624) 8.020 5.507 ( -2.726 0.000 2.893) 3.975 5.607 ( 2.946 0.000 0.484) 2.985 5.974 ( -0.536 0.000 6.191) 6.215 6.052 ( -4.690 0.000 -0.910) 4.777 6.471 ( -11.823 0.000 -1.828) 11.963 6.569 ( -6.000 0.000 -2.791) 6.617 6.651 ( 0.728 0.000 -3.064) 3.149 6.656 ( 7.019 0.000 1.825) 7.252 6.792 ( 2.260 0.000 0.134) 2.264 6.923 ( 7.540 0.000 -0.283) 7.545 6.924 ( -6.658 0.000 0.132) 6.659 7.103 ( 0.680 0.000 0.060) 0.683 7.468 ( 5.592 0.000 -3.907) 6.821 7.564 ( 3.603 0.000 -3.798) 5.236 8.160 ( -5.366 0.000 4.112) 6.761 8.452 ( -4.318 0.000 -4.650) 6.346 8.510 ( -3.615 0.000 -3.746) 5.206 8.604 ( 5.599 0.000 0.115) 5.600 8.744 ( -2.775 0.000 -4.628) 5.396 8.793 ( 5.150 0.000 3.634) 6.303 9.074 ( 5.220 0.000 -0.327) 5.231 9.127 ( 5.679 0.000 -1.748) 5.941 9.787 ( -8.511 0.000 3.591) 9.238 9.941 ( -6.973 0.000 11.558) 13.499 10.186 ( 7.988 0.000 -3.007) 8.536 10.514 ( -4.390 0.000 3.301) 5.492 10.707 ( 6.316 0.000 -17.291) 18.409 10.838 ( 0.698 0.000 0.597) 0.919 10.911 ( 14.118 0.000 5.925) 15.311 11.039 ( 4.780 0.000 0.968) 4.877 11.082 ( -2.652 0.000 -5.322) 5.946 11.170 ( -0.773 0.000 -14.909) 14.929 11.413 ( -6.688 0.000 4.736) 8.195 11.518 ( 3.869 0.000 5.653) 6.850 11.858 ( 0.899 0.000 -1.053) 1.384 12.059 ( 0.878 0.000 -9.261) 9.303 12.525 ( -2.980 0.000 -5.141) 5.943 12.550 ( 5.875 0.000 6.295) 8.611 13.028 ( -1.287 0.000 10.422) 10.501 13.115 ( -14.740 0.000 -10.294) 17.979 13.285 ( -1.801 0.000 2.531) 3.106 13.513 ( 4.181 0.000 -2.070) 4.665 13.798 ( -4.107 0.000 2.606) 4.864 13.987 ( -1.132 0.000 -5.012) 5.138 14.534 ( -1.645 0.000 2.809) 3.255 14.639 ( -4.570 0.000 -0.670) 4.619 14.748 ( 3.450 0.000 -0.970) 3.584 14.864 ( 2.734 0.000 -2.618) 3.785 15.955 ( -1.703 0.000 7.196) 7.395 16.192 ( 1.401 0.000 -3.826) 4.075 16.375 ( -2.727 0.000 11.236) 11.562 16.776 ( 0.641 0.000 -8.755) 8.778 19.765 ( -1.019 0.000 4.071) 4.196 19.937 ( 2.591 0.000 -1.240) 2.872 20.245 ( -1.886 0.000 10.025) 10.201 20.748 ( 1.706 0.000 -14.975) 15.072 21.623 ( -1.889 0.000 18.955) 19.049 21.965 ( 0.451 0.000 5.957) 5.974 22.080 ( -0.653 0.000 10.312) 10.332 22.197 ( 1.098 0.000 2.097) 2.367 22.511 ( -1.084 0.000 4.383) 4.515 22.757 ( -3.656 0.000 -7.061) 7.952 23.263 ( 0.061 0.000 5.438) 5.439 23.359 ( -0.547 0.000 -1.696) 1.782 23.908 ( -0.416 0.000 2.624) 2.657 24.231 ( 2.043 0.000 -11.656) 11.833 24.309 ( 1.021 0.000 1.362) 1.702 24.452 ( 1.611 0.000 -7.651) 7.818 ======================= Grid point 138 (70/104) ======================= q-point: (-0.17 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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| 1.320 ( -12.336 0.000 18.413) 22.164 1.538 ( -5.015 0.000 17.034) 17.757 1.905 ( -7.109 0.000 -0.482) 7.125 2.098 ( 0.314 0.000 14.590) 14.593 2.476 ( 0.440 0.000 -5.004) 5.024 2.604 ( 4.902 0.000 6.829) 8.406 2.744 ( 3.856 0.000 4.118) 5.641 2.785 ( 0.563 0.000 -3.767) 3.809 2.874 ( 5.596 0.000 -4.728) 7.326 2.951 ( -0.362 0.000 -1.210) 1.263 3.250 ( 11.034 0.000 -1.579) 11.146 3.263 ( 1.243 0.000 0.654) 1.404 3.469 ( 0.793 0.000 15.642) 15.662 3.478 ( 0.111 0.000 1.586) 1.590 3.617 ( -4.492 0.000 16.751) 17.343 3.750 ( -5.314 0.000 1.284) 5.467 3.851 ( 0.261 0.000 -3.196) 3.206 4.005 ( 2.754 0.000 -0.725) 2.848 4.162 ( -0.742 0.000 0.564) 0.932 4.316 ( 5.558 0.000 8.835) 10.438 4.440 ( 0.745 0.000 1.723) 1.878 4.469 ( 4.631 0.000 -0.457) 4.654 4.660 ( -7.673 0.000 -7.065) 10.430 4.847 ( 3.863 0.000 -9.423) 10.185 4.880 ( -1.516 0.000 4.935) 5.163 4.884 ( -1.847 0.000 -4.829) 5.170 5.217 ( 6.997 0.000 1.619) 7.182 5.242 ( -4.361 0.000 -9.726) 10.659 5.489 ( 1.485 0.000 2.591) 2.986 5.615 ( -1.654 0.000 -3.456) 3.832 5.970 ( -4.606 0.000 1.215) 4.764 6.016 ( 1.637 0.000 8.263) 8.424 6.266 ( -9.083 0.000 -0.549) 9.099 6.445 ( -4.407 0.000 -5.226) 6.836 6.638 ( -0.901 0.000 -3.111) 3.239 6.744 ( -1.693 0.000 -2.526) 3.041 6.845 ( 6.877 0.000 2.892) 7.460 6.889 ( 1.639 0.000 5.044) 5.304 7.030 ( 1.625 0.000 -2.381) 2.882 7.083 ( 0.218 0.000 1.274) 1.292 7.597 ( 8.615 0.000 -5.334) 10.133 7.601 ( 0.437 0.000 -0.222) 0.490 8.098 ( -1.220 0.000 1.013) 1.586 8.340 ( -6.346 0.000 -2.979) 7.010 8.443 ( -2.419 0.000 -3.413) 4.183 8.568 ( -6.792 0.000 -4.577) 8.190 8.788 ( 6.833 0.000 -2.493) 7.274 8.852 ( 0.181 0.000 2.372) 2.379 9.179 ( 3.683 0.000 2.649) 4.536 9.240 ( 6.787 0.000 -2.498) 7.232 9.713 ( 1.355 0.000 1.241) 1.838 9.813 ( -9.497 0.000 8.938) 13.042 10.331 ( 8.386 0.000 -2.545) 8.763 10.450 ( -3.310 0.000 1.954) 3.844 10.729 ( 0.826 0.000 -12.883) 12.910 10.789 ( -5.904 0.000 -4.612) 7.492 10.980 ( -0.822 0.000 -5.423) 5.485 11.095 ( 1.082 0.000 -5.456) 5.562 11.124 ( 0.054 0.000 1.181) 1.182 11.186 ( 3.981 0.000 -13.538) 14.111 11.376 ( 3.287 0.000 11.933) 12.378 11.773 ( 16.769 0.000 10.512) 19.791 11.875 ( 1.146 0.000 -0.620) 1.303 12.016 ( 0.014 0.000 -5.298) 5.298 12.438 ( -7.186 0.000 -9.715) 12.084 12.611 ( -1.871 0.000 2.566) 3.175 12.868 ( -4.491 0.000 -3.147) 5.484 12.967 ( -6.495 0.000 9.026) 11.120 13.309 ( 2.639 0.000 4.274) 5.024 13.557 ( 1.239 0.000 -3.177) 3.410 13.724 ( -3.846 0.000 1.955) 4.314 13.917 ( -4.646 0.000 -5.282) 7.034 14.490 ( -3.112 0.000 0.899) 3.239 14.568 ( -2.322 0.000 -0.929) 2.501 14.827 ( 4.449 0.000 1.059) 4.574 14.919 ( 3.007 0.000 -0.440) 3.039 15.970 ( 1.126 0.000 7.592) 7.675 16.205 ( 1.036 0.000 -3.896) 4.031 16.352 ( -2.706 0.000 11.195) 11.518 16.759 ( 0.187 0.000 -9.038) 9.040 19.772 ( 0.625 0.000 4.155) 4.202 19.966 ( 0.765 0.000 -2.123) 2.257 20.229 ( -2.399 0.000 9.231) 9.538 20.659 ( -6.297 0.000 -12.240) 13.765 21.692 ( 3.096 0.000 15.704) 16.007 21.980 ( -0.637 0.000 7.009) 7.038 22.095 ( -0.675 0.000 10.337) 10.359 22.266 ( 5.997 0.000 0.060) 5.998 22.498 ( -1.335 0.000 3.486) 3.733 22.666 ( -4.109 0.000 -4.101) 5.806 23.279 ( 0.026 0.000 5.472) 5.472 23.348 ( -0.093 0.000 -1.345) 1.348 23.914 ( 0.283 0.000 2.942) 2.956 24.235 ( 1.557 0.000 -11.564) 11.668 24.322 ( -0.121 0.000 1.396) 1.401 24.482 ( 3.661 0.000 -8.457) 9.216 ======================= Grid point 139 (71/104) ======================= q-point: ( 0.00 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 5.224 9.362 16.231) 19.452 1.648 ( 1.452 6.279 18.089) 19.203 1.865 ( -1.772 5.411 -3.725) 6.804 2.348 ( -1.888 11.506 -3.333) 12.127 2.550 ( -0.799 10.355 5.936) 11.962 2.685 ( 3.975 -3.305 -0.845) 5.238 2.764 ( -3.385 9.138 5.094) 10.996 2.816 ( -0.518 0.414 4.810) 4.856 2.899 ( 3.599 1.058 0.676) 3.811 3.105 ( -1.552 9.644 -5.655) 11.287 3.189 ( -3.815 -3.511 1.784) 5.483 3.347 ( 1.616 0.198 -3.842) 4.173 3.452 ( -5.130 1.206 9.920) 11.233 3.536 ( 4.060 0.171 2.201) 4.622 3.582 ( -3.660 1.531 9.328) 10.137 3.711 ( -2.605 -7.553 3.482) 8.715 3.845 ( -0.941 7.183 7.454) 10.394 4.053 ( -4.025 2.140 -0.259) 4.565 4.234 ( 2.444 -1.034 1.001) 2.836 4.323 ( -4.372 -1.839 -3.482) 5.884 4.415 ( 5.597 5.750 6.242) 10.166 4.531 ( -2.805 5.266 5.284) 7.970 4.704 ( 3.395 2.365 -0.370) 4.154 4.876 ( -1.520 2.326 -7.081) 7.607 4.951 ( 0.200 4.974 4.753) 6.883 4.994 ( 8.891 5.509 -4.161) 11.257 5.110 ( -5.145 0.835 -6.414) 8.265 5.287 ( 0.308 -1.990 -7.097) 7.377 5.462 ( -0.386 -3.659 2.973) 4.730 5.555 ( -1.735 -0.090 -0.790) 1.909 5.869 ( -0.269 -4.233 3.583) 5.552 6.014 ( -0.072 -3.050 -2.849) 4.174 6.199 ( 1.621 1.561 5.353) 5.807 6.378 ( -0.566 -2.309 -2.810) 3.681 6.605 ( -1.841 -4.185 -1.558) 4.830 6.654 ( -0.469 -0.856 -3.929) 4.049 6.874 ( -0.023 -2.362 4.502) 5.084 6.919 ( 0.538 -3.288 -0.281) 3.343 7.041 ( 1.289 1.428 2.735) 3.344 7.180 ( 1.490 2.136 -2.761) 3.796 7.631 ( -2.098 5.347 0.465) 5.763 7.760 ( 2.956 4.113 -4.210) 6.586 8.135 ( 3.231 1.205 -0.279) 3.459 8.234 ( -2.697 -0.340 -4.374) 5.150 8.360 ( -0.428 -2.474 0.826) 2.643 8.475 ( -3.993 1.048 -5.283) 6.704 8.795 ( -4.027 -2.159 2.608) 5.261 8.898 ( 3.809 -0.657 -2.841) 4.797 9.210 ( -2.404 2.661 3.839) 5.253 9.300 ( -0.879 -0.566 -0.048) 1.047 9.637 ( -1.705 -4.642 4.593) 6.749 9.820 ( 9.689 -2.741 -2.366) 10.343 10.299 ( -4.470 -6.634 2.777) 8.468 10.448 ( 6.345 -1.500 -3.559) 7.428 10.642 ( -6.159 -0.278 -5.698) 8.395 10.685 ( -2.095 -0.819 -5.607) 6.042 10.897 ( -7.406 -1.143 1.443) 7.632 10.975 ( -6.636 -4.114 1.516) 7.953 11.085 ( 2.651 -0.148 -3.173) 4.138 11.180 ( 3.671 -2.715 -10.397) 11.355 11.594 ( 16.340 -0.260 8.215) 18.291 11.843 ( -0.512 -1.433 0.645) 1.653 11.880 ( -0.144 1.824 2.542) 3.132 12.142 ( -9.072 1.494 -10.027) 13.604 12.406 ( 10.590 0.263 -1.101) 10.651 12.478 ( -9.463 -0.921 -2.304) 9.782 12.838 ( -3.381 -1.418 4.468) 5.780 12.884 ( 8.290 -5.191 2.489) 10.093 13.426 ( 1.422 1.007 0.810) 1.922 13.508 ( 0.264 -3.487 -2.140) 4.100 13.671 ( -0.899 -0.856 1.497) 1.945 13.778 ( -3.609 -2.826 -3.721) 5.904 14.457 ( 2.700 3.081 4.558) 6.128 14.704 ( -1.344 8.813 -7.363) 11.562 14.880 ( -0.874 2.769 6.124) 6.778 15.080 ( 3.484 8.498 -5.440) 10.675 16.012 ( 1.731 -0.732 5.667) 5.970 16.191 ( -1.182 -1.414 -0.877) 2.041 16.351 ( -0.842 0.966 7.233) 7.346 16.724 ( 1.401 -2.025 -9.250) 9.572 19.811 ( 0.931 0.877 5.038) 5.198 19.964 ( -2.020 1.642 -2.270) 3.454 20.206 ( -1.714 -0.438 8.654) 8.833 20.513 ( -2.756 -1.562 -3.930) 5.048 21.658 ( 0.314 -7.902 11.319) 13.808 21.888 ( 0.832 -14.829 2.641) 15.085 22.082 ( -1.214 -5.658 11.989) 13.313 22.103 ( -1.884 -0.454 11.531) 11.693 22.555 ( -0.820 -3.755 -0.568) 3.885 22.677 ( 2.141 4.450 -5.218) 7.184 23.407 ( -0.358 5.503 0.022) 5.515 23.417 ( -0.098 8.083 0.470) 8.097 23.959 ( 0.193 2.448 1.231) 2.747 24.218 ( 1.419 -1.104 -9.089) 9.265 24.405 ( 0.526 8.087 -2.206) 8.399 24.574 ( 1.871 4.410 -9.405) 10.555 ======================= Grid point 140 (72/104) ======================= q-point: ( 0.17 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 10.671 6.808 11.641) 17.197 1.794 ( 8.203 1.488 18.897) 20.655 1.872 ( 4.079 4.928 -4.882) 8.047 2.304 ( -0.681 7.444 -8.230) 11.118 2.512 ( -6.405 8.483 7.652) 13.097 2.597 ( -12.513 1.626 6.784) 14.327 2.737 ( 0.425 -2.404 -2.464) 3.469 2.865 ( -0.284 10.673 6.456) 12.477 2.898 ( -2.000 7.302 -2.269) 7.903 3.018 ( -4.980 2.730 -2.434) 6.179 3.098 ( -4.904 1.139 -2.198) 5.494 3.329 ( -3.101 -0.205 -4.438) 5.418 3.440 ( 1.590 4.462 16.992) 17.640 3.536 ( -0.242 0.141 7.322) 7.328 3.648 ( 1.318 -3.014 0.816) 3.389 3.706 ( 1.645 -1.457 9.678) 9.924 3.843 ( 0.197 -1.545 2.575) 3.009 4.003 ( -1.742 4.007 4.819) 6.506 4.135 ( -8.791 3.341 -5.366) 10.827 4.249 ( -3.357 2.204 2.946) 4.981 4.413 ( -10.853 3.921 7.324) 13.667 4.571 ( 5.502 7.764 1.416) 9.621 4.769 ( 3.188 1.250 -0.056) 3.425 4.829 ( -0.349 -0.784 -3.714) 3.811 4.955 ( -0.920 -1.080 -12.267) 12.349 5.033 ( 2.482 2.230 6.309) 7.137 5.168 ( 5.497 8.049 -3.159) 10.246 5.249 ( -1.572 -1.771 -8.348) 8.677 5.422 ( -3.981 0.107 3.143) 5.073 5.512 ( -1.800 1.175 -0.273) 2.166 5.955 ( 7.936 -5.579 4.856) 10.848 6.053 ( 3.842 -3.847 -2.089) 5.824 6.260 ( 2.382 0.313 3.007) 3.849 6.397 ( 4.073 -1.872 -2.435) 5.102 6.587 ( 0.082 -3.678 -0.991) 3.810 6.637 ( 0.109 -2.054 -2.128) 2.959 6.830 ( -3.853 -3.728 1.065) 5.466 6.940 ( 0.409 -0.572 2.289) 2.395 7.036 ( -2.842 -1.435 -0.740) 3.269 7.201 ( 1.258 3.326 -2.004) 4.082 7.578 ( -2.932 5.512 -2.178) 6.612 7.719 ( -5.611 3.442 -2.655) 7.098 8.196 ( 2.631 -0.488 1.211) 2.937 8.265 ( 7.025 0.873 -4.900) 8.609 8.359 ( -0.316 -1.019 1.569) 1.897 8.455 ( 2.780 -0.329 -0.682) 2.881 8.711 ( -4.717 -1.832 1.461) 5.267 8.920 ( -1.078 -1.814 -1.882) 2.828 9.151 ( -5.509 2.152 2.293) 6.344 9.213 ( -5.246 3.171 1.334) 6.274 9.703 ( 6.236 -4.374 1.952) 7.863 9.997 ( 7.998 -5.455 -1.272) 9.764 10.204 ( -5.515 -5.916 2.495) 8.464 10.486 ( -6.603 2.198 -3.407) 7.749 10.536 ( 2.575 1.268 -2.567) 3.851 10.665 ( -0.138 -1.922 -1.005) 2.173 10.789 ( -3.569 -1.929 4.139) 5.796 10.902 ( -2.524 -3.351 -2.001) 4.649 11.101 ( 0.746 2.257 -3.501) 4.232 11.234 ( 3.912 -0.436 -5.763) 6.978 11.770 ( 0.848 -4.055 -6.713) 7.888 11.844 ( 1.125 -0.820 -0.882) 1.648 11.915 ( -3.347 -1.711 0.025) 3.759 12.006 ( 2.669 3.296 1.748) 4.587 12.252 ( -10.436 -0.063 -2.445) 10.719 12.584 ( 6.974 -2.104 1.016) 7.355 12.802 ( -0.861 2.259 1.200) 2.699 13.040 ( 6.136 -10.341 0.236) 12.027 13.408 ( -2.736 -2.068 -0.169) 3.434 13.531 ( 2.410 0.204 -2.248) 3.302 13.708 ( 4.090 -1.209 3.015) 5.223 13.757 ( 1.899 -2.558 -1.703) 3.612 14.539 ( 4.758 6.154 3.581) 8.563 14.688 ( 1.121 4.229 -6.307) 7.676 14.848 ( -3.532 3.705 3.084) 5.976 15.105 ( 0.814 10.292 -6.061) 11.972 16.033 ( -0.993 -2.162 3.704) 4.402 16.170 ( -0.730 -2.239 -1.062) 2.583 16.360 ( -0.268 0.864 8.001) 8.052 16.740 ( 2.778 -0.872 -9.537) 9.972 19.835 ( 0.083 0.807 5.059) 5.124 19.917 ( -2.085 2.315 -1.201) 3.339 20.198 ( -1.464 -0.593 9.039) 9.176 20.494 ( 1.228 -0.829 -1.299) 1.970 21.667 ( -2.021 -8.198 10.104) 13.168 21.901 ( -0.288 -11.364 1.506) 11.467 22.081 ( -2.239 -5.671 12.033) 13.489 22.108 ( -0.706 -1.877 10.886) 11.069 22.541 ( -0.316 -1.377 -0.763) 1.605 22.698 ( 1.329 -0.957 -5.551) 5.787 23.392 ( -0.979 7.775 0.245) 7.840 23.432 ( 1.169 5.355 0.885) 5.552 23.962 ( -0.246 1.939 1.227) 2.307 24.214 ( 0.710 -0.634 -9.287) 9.336 24.403 ( 0.007 9.252 -3.002) 9.726 24.568 ( 0.113 3.636 -9.087) 9.788 ======================= Grid point 141 (73/104) ======================= q-point: ( 0.33 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 9.166 5.363 6.894) 12.661 1.983 ( 9.116 -0.729 -4.909) 10.379 2.011 ( 8.589 -0.936 17.445) 19.467 2.267 ( -13.379 0.449 1.734) 13.498 2.298 ( -3.829 4.779 -1.702) 6.356 2.468 ( -4.502 11.464 10.583) 16.238 2.708 ( -0.682 3.432 -2.847) 4.511 2.767 ( -9.554 12.696 3.835) 16.345 2.889 ( -1.752 4.814 1.239) 5.270 2.915 ( -3.980 -5.354 -1.608) 6.862 3.038 ( -1.629 5.864 -4.248) 7.422 3.255 ( -3.073 2.627 -7.173) 8.234 3.476 ( -3.025 -2.047 11.384) 11.956 3.617 ( 1.768 -0.219 15.397) 15.499 3.658 ( 4.151 -0.086 -0.997) 4.270 3.751 ( 0.645 7.708 7.962) 11.100 3.894 ( 2.171 -3.555 2.368) 4.791 3.951 ( -5.059 3.292 -0.603) 6.066 4.018 ( -4.324 4.151 8.207) 10.163 4.177 ( -2.268 2.958 2.995) 4.781 4.275 ( -2.607 2.380 2.768) 4.486 4.613 ( -2.323 6.907 -2.771) 7.797 4.799 ( -0.048 0.718 0.603) 0.939 4.838 ( 3.645 -0.413 -0.206) 3.674 4.935 ( 1.047 -3.201 -10.839) 11.350 5.080 ( -0.822 3.066 1.643) 3.574 5.172 ( -2.677 3.726 1.527) 4.835 5.213 ( 0.046 1.984 -5.476) 5.824 5.411 ( 2.019 1.861 0.965) 2.910 5.504 ( 0.671 0.899 1.490) 1.865 6.079 ( -0.107 -4.768 1.983) 5.165 6.101 ( 2.816 -4.434 -1.472) 5.455 6.309 ( 3.861 -3.617 1.727) 5.565 6.507 ( 7.854 1.725 -1.749) 8.229 6.596 ( 1.285 -2.595 -1.163) 3.120 6.677 ( 3.687 -4.895 0.801) 6.180 6.764 ( -3.260 -3.901 0.890) 5.161 6.917 ( -3.958 1.870 -1.915) 4.778 6.976 ( -1.291 -0.853 0.795) 1.739 7.184 ( -2.926 3.172 -2.412) 4.944 7.529 ( -1.303 4.361 -3.546) 5.770 7.602 ( -5.130 4.492 -2.964) 7.435 8.245 ( 1.662 -0.572 3.862) 4.244 8.377 ( 2.370 -1.957 2.293) 3.835 8.395 ( 7.269 0.785 -5.549) 9.179 8.532 ( 4.274 -0.893 3.841) 5.815 8.647 ( -2.532 -1.974 -1.233) 3.439 8.864 ( -3.646 -1.337 -1.123) 4.042 9.055 ( -3.340 1.494 0.603) 3.708 9.155 ( -2.482 5.645 -0.632) 6.199 9.833 ( 7.037 -5.920 2.864) 9.632 10.017 ( -4.734 -4.072 2.999) 6.927 10.165 ( -2.732 0.160 4.646) 5.391 10.402 ( 1.022 -3.307 -7.266) 8.049 10.568 ( 1.220 -0.480 -1.015) 1.658 10.651 ( -1.831 -1.184 2.463) 3.289 10.782 ( 1.250 -0.354 3.622) 3.848 10.875 ( 1.022 -2.281 -3.994) 4.711 11.122 ( 2.491 2.031 -4.177) 5.270 11.272 ( 1.178 -1.664 -6.609) 6.916 11.676 ( -7.725 -5.222 -10.274) 13.874 11.770 ( -9.227 -0.854 -3.111) 9.775 11.855 ( -0.748 -1.100 -0.962) 1.642 11.991 ( -0.811 3.532 -3.796) 5.248 12.268 ( 6.613 -1.101 7.110) 9.772 12.719 ( 5.941 1.225 0.515) 6.088 12.770 ( -2.207 -2.017 3.528) 4.625 13.111 ( 2.426 -12.090 -0.754) 12.354 13.376 ( -0.069 -0.599 -0.066) 0.607 13.554 ( 0.315 1.840 -3.399) 3.878 13.784 ( 2.676 -1.040 3.105) 4.229 13.831 ( 5.571 -3.468 -0.977) 6.635 14.611 ( -0.129 6.751 3.252) 7.494 14.702 ( 2.186 0.469 0.130) 2.240 14.798 ( -0.696 7.156 -4.430) 8.445 15.081 ( -1.584 11.702 -7.039) 13.748 15.999 ( -3.381 -3.375 3.934) 6.188 16.161 ( 0.276 -1.908 -2.402) 3.080 16.379 ( -0.289 0.553 9.478) 9.498 16.766 ( 2.481 -0.111 -9.479) 9.799 19.832 ( -1.844 1.255 4.926) 5.408 19.896 ( 0.245 2.463 -0.354) 2.500 20.204 ( -0.520 -1.468 9.456) 9.583 20.538 ( 3.790 -2.827 -2.556) 5.375 21.646 ( -3.187 -7.317 10.992) 13.584 21.886 ( -1.627 -8.230 1.762) 8.573 22.072 ( -1.999 -4.369 11.990) 12.917 22.117 ( -1.388 -2.376 10.272) 10.634 22.545 ( 1.092 0.596 -1.158) 1.700 22.693 ( -0.243 -6.639 -5.860) 8.858 23.381 ( -0.287 8.609 1.040) 8.676 23.454 ( 0.769 5.453 0.849) 5.572 23.956 ( -0.697 1.952 1.041) 2.320 24.200 ( 0.273 -0.724 -8.454) 8.489 24.397 ( 0.496 9.201 -3.965) 10.031 24.539 ( -0.610 3.843 -8.410) 9.267 ======================= Grid point 142 (74/104) ======================= q-point: (-0.50 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( -21.425 -5.732 10.099) 24.370 1.927 ( -0.328 6.363 9.369) 11.330 2.177 ( 0.843 -2.089 -4.851) 5.349 2.193 ( 7.458 1.359 -5.400) 9.308 2.320 ( 7.701 2.876 16.095) 18.073 2.482 ( -1.934 14.596 9.612) 17.584 2.621 ( -1.841 13.819 -0.473) 13.949 2.746 ( 3.029 3.887 4.261) 6.515 2.783 ( -3.811 1.949 -2.209) 4.817 2.927 ( 0.913 1.058 -0.076) 1.399 3.013 ( 2.080 5.835 -7.860) 10.008 3.202 ( 0.617 3.421 -9.830) 10.427 3.428 ( -4.862 -2.212 15.380) 16.281 3.626 ( -4.378 -0.079 3.647) 5.699 3.676 ( 0.260 -2.618 0.200) 2.639 3.784 ( -3.466 7.162 13.073) 15.304 3.887 ( -1.582 2.873 -3.172) 4.563 3.945 ( 2.810 3.442 12.613) 13.373 4.016 ( 5.340 -4.840 5.306) 8.949 4.242 ( 0.938 4.710 8.407) 9.682 4.299 ( 7.164 1.468 -3.012) 7.909 4.503 ( -6.466 4.401 -8.216) 11.343 4.810 ( -0.073 1.821 1.940) 2.662 4.899 ( 1.590 0.433 -0.915) 1.885 4.927 ( 1.918 -2.007 -6.898) 7.435 5.009 ( -5.438 2.367 -1.857) 6.215 5.154 ( 0.128 5.157 0.569) 5.190 5.229 ( 2.451 4.405 -0.645) 5.082 5.450 ( 1.108 -2.561 2.689) 3.875 5.529 ( 1.145 -1.520 0.901) 2.106 6.029 ( -3.440 -2.254 -0.492) 4.142 6.078 ( -3.753 -4.279 -1.537) 5.896 6.420 ( 6.220 -4.088 4.459) 8.676 6.574 ( -3.748 -5.568 -2.798) 7.272 6.650 ( 2.774 0.041 1.279) 3.055 6.677 ( -0.643 -0.378 0.500) 0.898 6.777 ( 4.134 -2.921 -1.751) 5.356 6.828 ( -3.468 3.387 -2.733) 5.565 7.009 ( 2.873 -0.329 1.825) 3.419 7.100 ( -4.034 1.751 -2.479) 5.048 7.510 ( -0.014 5.139 -2.421) 5.681 7.553 ( 1.303 4.286 -5.226) 6.883 8.253 ( -2.429 1.170 5.053) 5.728 8.440 ( 2.540 -3.426 0.616) 4.309 8.476 ( 2.920 -0.884 -4.670) 5.578 8.577 ( -1.279 -1.129 -0.276) 1.728 8.650 ( 4.854 -2.886 2.620) 6.225 8.810 ( -1.617 0.558 -2.597) 3.110 9.052 ( 2.396 1.979 0.052) 3.108 9.115 ( -0.822 5.223 -2.080) 5.682 9.899 ( -6.485 -5.896 5.962) 10.600 9.974 ( 2.486 -4.698 1.765) 5.601 10.080 ( -3.552 4.438 4.059) 6.985 10.465 ( 3.878 -9.005 -1.097) 9.866 10.559 ( 0.159 -2.344 -4.035) 4.669 10.678 ( 5.592 -0.233 2.982) 6.342 10.827 ( 2.118 0.793 1.835) 2.912 10.925 ( 4.964 -2.160 -2.723) 6.060 11.132 ( -1.382 -0.304 -7.969) 8.094 11.226 ( -2.697 -2.956 -10.286) 11.037 11.541 ( -4.853 -0.706 -1.474) 5.121 11.572 ( -9.104 0.947 -2.938) 9.613 11.835 ( -1.277 -1.108 1.741) 2.427 12.040 ( 5.920 1.742 -8.351) 10.383 12.407 ( 6.848 -1.041 7.358) 10.105 12.630 ( -6.920 -0.283 -3.698) 7.851 12.895 ( 5.794 -3.719 8.037) 10.583 13.103 ( -3.582 -10.736 -1.284) 11.391 13.415 ( 3.819 -0.725 0.588) 3.931 13.513 ( -3.522 4.001 -5.422) 7.604 13.818 ( -0.162 -1.233 2.541) 2.829 13.916 ( 3.785 -3.589 -2.132) 5.635 14.549 ( -5.715 0.964 4.905) 7.593 14.760 ( 2.188 4.351 1.648) 5.141 14.814 ( 3.783 10.131 -5.985) 12.360 15.017 ( -3.172 11.122 -7.834) 13.969 15.948 ( -3.170 -3.072 6.081) 7.514 16.169 ( 1.422 -1.113 -3.449) 3.893 16.390 ( -1.382 0.435 10.091) 10.194 16.777 ( 1.154 -0.435 -9.184) 9.266 19.802 ( -2.391 1.478 4.874) 5.627 19.919 ( 2.121 2.309 -0.391) 3.159 20.220 ( -0.547 -1.856 9.409) 9.606 20.605 ( 4.450 -6.445 -6.655) 10.277 21.606 ( -4.459 -4.900 13.799) 15.307 21.864 ( -0.994 -8.353 2.428) 8.756 22.071 ( -1.611 -5.236 13.155) 14.251 22.110 ( -1.954 0.093 9.244) 9.449 22.569 ( 1.496 3.287 -1.139) 3.787 22.665 ( -0.878 -10.224 -6.060) 11.917 23.388 ( 0.588 9.672 2.011) 9.896 23.458 ( -0.429 5.778 -0.002) 5.794 23.945 ( -0.598 2.477 0.997) 2.736 24.187 ( 0.673 -1.444 -7.315) 7.486 24.398 ( 0.605 7.921 -4.371) 9.067 24.515 ( 0.654 4.931 -8.093) 9.500 ======================= Grid point 143 (75/104) ======================= q-point: (-0.33 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -16.868 -1.584 14.825) 22.513 1.844 ( -10.962 9.419 12.942) 19.400 2.058 ( -6.428 3.061 -3.043) 7.742 2.399 ( -3.478 19.980 6.388) 21.263 2.421 ( 12.408 0.099 -1.731) 12.529 2.495 ( 4.499 2.909 6.496) 8.421 2.688 ( 4.623 5.642 5.933) 9.402 2.723 ( -0.048 -2.680 -7.199) 7.682 2.816 ( 0.697 5.359 4.086) 6.775 2.992 ( 6.029 -1.323 -0.495) 6.192 3.098 ( 9.243 10.859 -5.946) 15.450 3.239 ( 4.437 2.180 -7.900) 9.319 3.405 ( -1.335 -1.861 18.003) 18.148 3.526 ( -5.757 1.274 3.549) 6.882 3.700 ( 1.237 -5.166 0.581) 5.343 3.732 ( -5.019 5.615 17.908) 19.427 3.903 ( 5.208 3.439 -4.528) 7.711 4.015 ( -0.166 -2.692 5.026) 5.704 4.162 ( 6.043 0.646 3.956) 7.252 4.202 ( -3.293 2.260 4.684) 6.155 4.383 ( -3.301 0.267 -8.518) 9.139 4.461 ( 7.884 6.245 3.943) 10.803 4.809 ( -0.487 1.638 -2.207) 2.791 4.870 ( -2.589 -0.385 -3.230) 4.158 4.894 ( -5.131 3.186 -4.393) 7.469 4.977 ( 2.470 1.086 -0.434) 2.732 5.174 ( 1.771 6.917 1.926) 7.395 5.280 ( 2.896 2.283 -4.338) 5.694 5.458 ( -1.296 -4.896 5.049) 7.151 5.539 ( 0.344 -3.698 -1.104) 3.875 5.973 ( -3.306 -5.262 1.892) 6.496 6.029 ( -0.519 1.719 1.383) 2.267 6.406 ( -9.691 -4.220 -1.544) 10.682 6.504 ( -2.655 -5.377 -0.040) 5.997 6.627 ( 0.802 -1.153 0.118) 1.409 6.733 ( 2.158 2.242 -0.779) 3.208 6.795 ( 0.233 0.480 -0.532) 0.754 6.816 ( -0.449 -2.501 -1.890) 3.167 7.035 ( 2.612 3.565 -0.052) 4.420 7.091 ( 0.967 -1.146 0.560) 1.600 7.549 ( 5.313 6.525 -3.809) 9.236 7.592 ( 3.452 3.158 -3.512) 5.850 8.190 ( -4.987 2.819 3.882) 6.919 8.421 ( -2.951 -3.337 -5.528) 7.099 8.453 ( -4.118 -3.095 0.109) 5.152 8.626 ( 5.777 0.022 -1.640) 6.005 8.726 ( -0.717 -1.943 -0.750) 2.203 8.796 ( 2.992 -0.248 -1.430) 3.326 9.116 ( 4.395 3.837 0.612) 5.866 9.146 ( 4.608 2.103 -2.099) 5.483 9.761 ( -8.271 -3.588 4.124) 9.914 9.905 ( -7.804 -2.882 7.628) 11.287 10.162 ( 7.688 -1.566 -2.942) 8.379 10.446 ( -3.919 -5.770 5.061) 8.617 10.638 ( 7.462 -4.378 -13.578) 16.100 10.845 ( -0.606 -0.382 -0.427) 0.834 10.869 ( 12.652 -3.346 4.183) 13.739 11.017 ( 4.910 -2.853 -0.717) 5.724 11.052 ( -2.491 -1.869 -4.300) 5.309 11.160 ( -1.129 -0.575 -12.690) 12.753 11.386 ( -10.082 -0.966 2.322) 10.391 11.553 ( 4.730 1.494 4.828) 6.922 11.833 ( 0.774 -0.756 1.423) 1.787 12.121 ( 4.757 4.165 -9.171) 11.140 12.508 ( -4.086 -1.784 -3.061) 5.408 12.559 ( 6.202 0.126 5.881) 8.548 12.942 ( -4.957 -7.230 3.914) 9.601 12.983 ( -6.796 -6.403 -0.931) 9.383 13.421 ( -3.522 5.982 -4.520) 8.283 13.486 ( 2.745 -2.516 0.546) 3.763 13.788 ( -3.308 -0.445 1.094) 3.512 13.940 ( -0.567 -3.115 -4.545) 5.539 14.467 ( -4.332 -0.390 5.684) 7.157 14.795 ( 1.528 5.552 3.675) 6.831 14.860 ( 0.135 12.286 -6.043) 13.692 14.955 ( 0.807 7.108 -6.331) 9.553 15.928 ( -0.745 -1.672 7.933) 8.141 16.192 ( 1.809 -0.277 -3.615) 4.051 16.378 ( -2.526 0.407 9.822) 10.150 16.763 ( -0.049 -1.417 -8.932) 9.044 19.780 ( -1.207 1.466 4.811) 5.172 19.961 ( 2.252 1.946 -0.841) 3.092 20.225 ( -1.414 -1.598 8.701) 8.959 20.644 ( 1.504 -8.524 -10.858) 13.886 21.572 ( -2.712 -4.016 16.425) 17.125 21.862 ( -0.224 -10.341 3.620) 10.959 22.076 ( -1.610 -6.545 12.826) 14.489 22.101 ( -1.521 2.182 10.393) 10.728 22.580 ( -0.052 1.733 -1.606) 2.363 22.646 ( 0.634 -5.965 -5.301) 8.005 23.407 ( 0.659 10.143 2.257) 10.412 23.441 ( -1.196 5.822 -0.958) 6.020 23.943 ( 0.044 3.012 1.103) 3.208 24.190 ( 1.660 -2.164 -6.823) 7.348 24.395 ( 0.345 6.641 -4.005) 7.762 24.524 ( 2.396 6.034 -8.091) 10.374 ======================= Grid point 144 (76/104) ======================= q-point: (-0.17 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -4.729 5.513 18.041) 19.448 1.677 ( -8.907 11.227 15.012) 20.754 1.941 ( -5.396 4.080 -2.146) 7.097 2.373 ( -1.614 19.657 7.245) 21.012 2.547 ( 0.997 7.564 -3.560) 8.419 2.593 ( 5.812 -2.577 2.280) 6.754 2.735 ( 3.268 3.317 0.599) 4.695 2.792 ( 5.615 -0.394 -0.875) 5.697 2.840 ( 0.049 2.146 5.387) 5.799 3.082 ( 4.194 3.918 -2.475) 6.250 3.218 ( 0.763 -2.472 1.826) 3.167 3.303 ( 5.338 4.819 -3.621) 8.052 3.441 ( 0.693 -1.600 2.714) 3.226 3.493 ( 0.386 0.895 12.300) 12.339 3.661 ( -5.085 2.606 7.870) 9.726 3.746 ( -0.107 -5.687 7.619) 9.508 3.904 ( -8.599 8.709 -1.702) 12.357 4.053 ( 10.248 5.141 0.144) 11.466 4.136 ( -1.436 -1.120 -0.114) 1.825 4.319 ( 4.292 0.663 6.669) 7.958 4.343 ( 1.096 -4.254 0.049) 4.393 4.585 ( 2.851 7.042 5.863) 9.597 4.697 ( -6.784 3.469 -5.103) 9.170 4.861 ( 1.871 0.651 -4.326) 4.758 4.867 ( 3.768 1.223 -6.511) 7.621 4.989 ( -1.771 5.299 3.342) 6.511 5.210 ( -0.765 1.916 -1.030) 2.306 5.277 ( 0.233 1.853 -7.996) 8.211 5.454 ( -0.183 -5.338 4.619) 7.062 5.552 ( 1.471 -1.674 -1.119) 2.494 5.912 ( -3.941 -5.084 2.204) 6.800 6.039 ( -0.393 0.185 2.293) 2.334 6.232 ( -7.125 -1.431 0.700) 7.301 6.424 ( -3.690 -2.325 -3.066) 5.331 6.645 ( -0.212 -1.342 -2.523) 2.866 6.685 ( -3.335 -3.706 -3.520) 6.103 6.824 ( 2.932 -2.471 1.352) 4.066 6.876 ( 4.082 1.501 5.112) 6.712 7.042 ( -1.503 -0.792 -1.265) 2.118 7.140 ( 3.477 3.236 0.065) 4.751 7.636 ( 1.742 3.581 -0.338) 3.997 7.664 ( 7.240 5.813 -4.805) 10.455 8.122 ( -2.229 2.591 1.091) 3.588 8.329 ( -5.185 -1.300 -4.724) 7.134 8.387 ( -2.681 -3.674 0.001) 4.548 8.595 ( -6.341 1.342 -6.478) 9.164 8.774 ( 5.766 -1.591 -0.154) 5.984 8.852 ( 1.553 -1.036 0.004) 1.867 9.201 ( 3.148 2.434 2.423) 4.659 9.240 ( 5.512 0.265 -1.389) 5.690 9.675 ( -1.376 -4.378 3.132) 5.556 9.776 ( -6.754 -2.250 4.802) 8.588 10.292 ( 6.692 -3.845 -3.070) 8.306 10.393 ( -2.477 -3.927 3.251) 5.668 10.689 ( 1.472 -3.498 -11.242) 11.865 10.792 ( -4.764 -0.029 -5.495) 7.272 10.960 ( 0.395 -1.849 -5.372) 5.695 11.034 ( 1.212 -3.895 -2.054) 4.567 11.136 ( -0.985 -1.579 -9.925) 10.098 11.189 ( -6.296 -0.315 -2.730) 6.870 11.264 ( 14.204 -5.425 13.875) 20.584 11.737 ( 10.354 -3.001 7.058) 12.885 11.871 ( 2.486 1.752 3.172) 4.394 12.169 ( 4.278 8.938 -7.430) 12.385 12.411 ( -6.635 -2.877 -7.465) 10.394 12.619 ( -3.964 1.149 0.931) 4.230 12.800 ( -2.330 -4.956 1.834) 5.775 12.900 ( -4.738 -4.856 4.737) 8.274 13.393 ( 1.030 4.235 -0.933) 4.458 13.512 ( 0.236 -4.012 -0.315) 4.031 13.719 ( -3.922 -0.047 0.103) 3.924 13.876 ( -4.594 -3.009 -5.284) 7.621 14.429 ( -1.154 0.602 5.742) 5.888 14.774 ( -4.039 12.206 -6.067) 14.216 14.852 ( 1.803 2.601 4.949) 5.874 15.014 ( 4.937 7.483 -4.897) 10.215 15.959 ( 1.696 -0.511 7.708) 7.909 16.206 ( 0.334 -0.220 -2.483) 2.515 16.357 ( -2.078 0.542 8.580) 8.845 16.737 ( -0.087 -2.222 -8.942) 9.215 19.785 ( 0.314 1.245 4.852) 5.019 19.985 ( 0.448 1.544 -1.790) 2.406 20.216 ( -1.779 -1.058 8.333) 8.586 20.596 ( -3.408 -5.514 -9.338) 11.368 21.603 ( 1.320 -6.569 14.753) 16.203 21.870 ( 0.078 -13.237 4.072) 13.850 22.077 ( -1.449 -4.241 11.032) 11.907 22.105 ( -1.578 -0.511 12.651) 12.759 22.569 ( -0.486 -3.823 -1.490) 4.131 22.655 ( 1.576 3.551 -4.722) 6.114 23.414 ( -0.543 6.225 0.348) 6.258 23.422 ( -0.318 8.809 0.194) 8.817 23.950 ( 0.369 3.006 1.134) 3.234 24.208 ( 2.030 -1.927 -7.774) 8.263 24.397 ( 0.838 6.799 -2.744) 7.379 24.552 ( 2.767 5.696 -8.728) 10.783 ======================= Grid point 145 (77/104) ======================= q-point: ( 0.00 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 5.806 13.651 10.393) 18.113 1.856 ( -4.599 12.365 12.208) 17.974 2.007 ( -1.070 7.345 -0.873) 7.473 2.511 ( 1.319 4.225 -12.899) 13.637 2.658 ( -1.505 2.458 3.116) 4.244 2.732 ( -4.426 -5.199 3.409) 7.631 2.788 ( -3.330 4.149 5.872) 7.924 2.887 ( 1.202 2.688 -1.439) 3.278 3.108 ( -1.296 11.837 3.611) 12.444 3.120 ( 1.871 0.346 3.163) 3.691 3.238 ( 0.547 -3.327 1.905) 3.873 3.322 ( 6.001 5.870 -0.493) 8.409 3.468 ( -3.215 -6.445 -6.158) 9.476 3.526 ( -0.450 -1.779 6.760) 7.004 3.607 ( -0.044 5.860 3.203) 6.679 3.693 ( -1.166 5.741 12.773) 14.052 4.020 ( -6.778 9.051 1.871) 11.461 4.095 ( -2.624 1.728 1.911) 3.678 4.237 ( 2.670 2.270 0.789) 3.592 4.293 ( -1.225 0.595 1.684) 2.166 4.589 ( 5.659 9.704 6.205) 12.833 4.688 ( -4.322 7.569 5.000) 10.048 4.778 ( 1.307 4.509 -1.829) 5.038 4.890 ( 1.799 -0.049 -5.596) 5.879 5.036 ( -1.186 1.698 5.122) 5.525 5.127 ( 5.028 4.911 2.395) 7.425 5.146 ( 3.186 0.569 2.660) 4.190 5.259 ( 1.064 2.179 -10.593) 10.867 5.438 ( -1.190 1.963 -0.231) 2.307 5.518 ( -3.516 -4.316 -0.579) 5.597 5.758 ( -1.410 -5.023 3.034) 6.035 5.906 ( 0.811 -6.557 -2.884) 7.209 6.266 ( 2.339 2.977 0.728) 3.855 6.302 ( -2.427 -2.838 -0.995) 3.865 6.548 ( 0.026 -0.333 -0.938) 0.996 6.588 ( -1.884 -5.072 0.178) 5.413 6.844 ( 0.422 -3.206 0.979) 3.379 6.873 ( -2.078 1.320 -1.403) 2.834 7.019 ( 1.273 -3.367 3.223) 4.832 7.146 ( 0.778 -5.050 -2.598) 5.732 7.780 ( -0.292 7.597 0.928) 7.659 7.851 ( 0.151 4.201 0.411) 4.224 8.192 ( -2.058 -3.433 -3.802) 5.521 8.207 ( 2.248 5.187 -2.884) 6.347 8.353 ( 0.170 1.609 1.565) 2.251 8.471 ( -4.086 -0.931 -6.229) 7.507 8.723 ( -3.701 -4.469 3.178) 6.616 8.828 ( 3.398 -6.204 -1.506) 7.233 9.296 ( -0.960 5.162 2.101) 5.656 9.300 ( -0.234 0.717 1.217) 1.432 9.531 ( 0.391 -4.446 2.850) 5.295 9.745 ( 4.708 -4.211 -4.873) 7.978 10.205 ( -2.965 -1.612 4.000) 5.233 10.406 ( 6.439 -2.441 -6.027) 9.151 10.587 ( -0.064 -3.438 -4.232) 5.453 10.669 ( -4.172 -1.670 -6.682) 8.052 10.868 ( -6.780 -1.501 0.859) 6.997 10.896 ( -6.883 -3.149 3.785) 8.463 11.058 ( 2.696 -2.080 -6.364) 7.218 11.112 ( 7.605 -3.196 -7.240) 10.976 11.592 ( 15.450 0.338 9.829) 18.315 11.768 ( 4.264 -4.344 6.635) 9.004 11.948 ( -5.530 3.060 -0.879) 6.380 12.117 ( -9.162 -2.882 -6.708) 11.715 12.440 ( 0.002 1.480 -3.006) 3.351 12.490 ( -2.957 3.115 -3.328) 5.434 12.787 ( 3.668 -2.236 3.563) 5.581 12.831 ( 2.306 -1.533 1.631) 3.214 13.391 ( -1.714 -2.914 0.326) 3.397 13.412 ( 1.548 -4.550 0.163) 4.809 13.663 ( -1.090 -0.491 -1.988) 2.319 13.718 ( -3.347 -2.587 -4.031) 5.843 14.576 ( 3.239 7.029 6.303) 9.981 14.803 ( -3.205 1.220 -1.111) 3.605 15.058 ( 0.557 11.777 -1.076) 11.839 15.250 ( 4.833 6.876 -8.253) 11.779 16.005 ( -0.026 0.280 6.674) 6.680 16.149 ( -3.250 -2.530 3.945) 5.703 16.380 ( 0.462 1.877 0.136) 1.938 16.654 ( 2.200 -4.579 -8.932) 10.275 19.842 ( 0.226 2.150 6.483) 6.834 19.998 ( -1.555 0.813 1.116) 2.080 20.200 ( -0.772 0.591 4.476) 4.580 20.457 ( 0.106 -3.672 -4.406) 5.737 21.496 ( -0.249 -6.719 11.563) 13.376 21.578 ( -1.765 -11.507 9.240) 14.863 21.996 ( -0.373 -3.639 6.615) 7.559 22.056 ( -1.373 -4.562 5.702) 7.430 22.541 ( -0.786 2.837 5.737) 6.448 22.719 ( -0.177 0.224 0.221) 0.361 23.509 ( -0.217 4.454 0.387) 4.476 23.563 ( -0.704 4.502 -2.214) 5.066 24.017 ( -0.081 2.898 -0.377) 2.924 24.183 ( 1.451 -2.163 -5.916) 6.464 24.596 ( 1.967 8.661 -6.918) 11.258 24.683 ( 1.122 5.090 -9.788) 11.089 ======================= Grid point 146 (78/104) ======================= q-point: ( 0.17 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 5.044 10.633 9.820) 15.328 1.886 ( 3.923 6.391 10.926) 13.251 2.008 ( 1.577 7.460 -0.981) 7.688 2.484 ( -1.720 6.692 -8.096) 10.643 2.562 ( -11.232 -1.214 1.963) 11.466 2.681 ( -0.939 -1.344 4.513) 4.801 2.720 ( -3.393 3.683 6.199) 7.969 2.884 ( -1.785 0.931 -1.217) 2.352 3.025 ( -4.527 6.117 6.496) 10.005 3.192 ( 0.169 4.357 -2.169) 4.870 3.235 ( -1.526 3.106 1.831) 3.915 3.334 ( -3.955 8.208 -3.183) 9.652 3.433 ( 1.237 -10.304 -4.754) 11.415 3.512 ( -1.820 -5.593 -1.367) 6.038 3.625 ( 1.626 6.714 12.529) 14.307 3.755 ( 2.160 5.982 14.248) 15.603 3.903 ( -4.587 6.115 2.350) 7.997 4.082 ( 1.333 6.433 5.779) 8.750 4.203 ( -3.935 2.780 -3.057) 5.706 4.315 ( 1.054 2.974 1.204) 3.377 4.506 ( -12.829 4.917 4.798) 14.553 4.733 ( 2.773 6.267 3.696) 7.787 4.811 ( 2.696 4.158 -1.237) 5.108 4.885 ( 0.651 2.416 -5.051) 5.637 4.973 ( -6.003 3.345 0.401) 6.883 5.125 ( 4.230 6.394 2.021) 7.929 5.226 ( 0.025 0.917 -3.989) 4.093 5.308 ( -0.335 4.261 -3.658) 5.626 5.481 ( 5.225 4.580 2.137) 7.269 5.486 ( -0.685 -3.374 -0.971) 3.577 5.783 ( 5.420 -10.061 2.863) 11.781 5.942 ( 2.529 -6.505 -1.174) 7.077 6.264 ( -1.053 -0.397 -0.202) 1.143 6.349 ( 6.211 -0.601 -0.330) 6.249 6.533 ( -1.450 -4.233 0.095) 4.475 6.590 ( 1.993 -0.506 0.535) 2.125 6.768 ( -4.607 -1.089 0.092) 4.735 6.908 ( 1.990 -2.008 2.035) 3.483 6.982 ( -4.447 -3.969 -0.586) 5.989 7.194 ( 3.253 -4.096 -1.188) 5.364 7.737 ( -3.823 8.788 -0.696) 9.609 7.800 ( -5.046 3.947 -0.056) 6.406 8.172 ( 1.508 -2.480 -0.966) 3.059 8.301 ( 6.333 0.124 -2.422) 6.782 8.341 ( -1.226 1.137 3.050) 3.478 8.450 ( 2.486 1.036 -3.619) 4.511 8.650 ( -4.166 -3.642 1.522) 5.739 8.847 ( -0.819 -5.272 -0.773) 5.390 9.207 ( -6.426 3.541 0.700) 7.370 9.307 ( -0.370 5.041 1.297) 5.219 9.596 ( 4.597 -5.158 2.363) 7.302 9.829 ( 4.819 -9.842 -5.190) 12.125 10.156 ( -2.024 1.492 1.467) 2.911 10.476 ( 0.287 -1.751 -3.762) 4.160 10.574 ( -0.227 0.519 -4.718) 4.751 10.602 ( -0.935 -3.625 -3.577) 5.178 10.752 ( -3.505 -1.090 3.796) 5.280 10.831 ( -2.223 -3.085 -0.562) 3.844 11.090 ( 3.671 -1.500 -6.488) 7.604 11.261 ( 7.638 1.069 -2.025) 7.973 11.692 ( -9.971 -2.273 -9.375) 13.874 11.813 ( -0.379 -1.073 4.473) 4.615 11.868 ( 1.783 -2.712 2.401) 4.037 12.053 ( 3.293 -1.877 2.438) 4.506 12.242 ( -11.757 2.034 -0.565) 11.945 12.589 ( 5.789 0.536 0.673) 5.852 12.815 ( -0.607 -0.482 -1.253) 1.473 12.882 ( 2.095 -4.331 -0.328) 4.822 13.364 ( -0.786 -1.497 0.362) 1.729 13.467 ( 3.741 -4.452 -0.588) 5.845 13.686 ( 3.454 -1.263 0.262) 3.687 13.701 ( 2.088 -2.489 -1.082) 3.424 14.670 ( 5.186 5.439 4.820) 8.928 14.751 ( -2.624 2.365 0.710) 3.603 15.051 ( -0.373 12.672 -5.086) 13.660 15.300 ( 2.719 7.351 -8.994) 11.930 15.993 ( -3.058 -1.272 6.093) 6.935 16.109 ( -1.805 -3.278 4.327) 5.721 16.393 ( 0.772 2.373 1.012) 2.693 16.692 ( 3.995 -3.853 -9.480) 10.985 19.861 ( -0.099 1.706 6.428) 6.651 19.968 ( -1.940 1.679 1.753) 3.107 20.194 ( -1.046 0.824 4.185) 4.391 20.453 ( 0.544 -3.194 -3.751) 4.957 21.501 ( -1.833 -6.803 10.207) 12.402 21.603 ( 1.197 -12.482 9.867) 15.955 21.996 ( -1.421 -3.305 5.973) 6.973 22.050 ( -0.845 -5.028 6.100) 7.950 22.538 ( -1.043 2.731 5.594) 6.312 22.699 ( -1.904 0.051 0.312) 1.930 23.515 ( 0.550 4.329 0.873) 4.450 23.551 ( 0.138 4.561 -1.669) 4.859 24.014 ( -0.241 2.835 0.024) 2.845 24.187 ( 0.677 -1.991 -6.373) 6.711 24.604 ( 0.825 8.604 -7.254) 11.284 24.669 ( 0.203 5.169 -9.769) 11.054 ======================= Grid point 147 (79/104) ======================= q-point: ( 0.33 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 8.340 4.116 6.259) 11.210 1.973 ( 0.338 2.037 8.860) 9.098 2.065 ( 4.339 4.418 -0.086) 6.193 2.278 ( -14.376 1.635 8.613) 16.839 2.468 ( -1.837 7.934 -4.994) 9.553 2.678 ( -0.023 4.910 8.866) 10.135 2.732 ( 2.733 -1.402 -0.823) 3.180 2.829 ( -4.591 4.692 5.696) 8.691 2.970 ( -2.270 6.557 2.518) 7.382 3.130 ( -7.368 8.943 -0.636) 11.604 3.169 ( -0.920 8.258 -7.933) 11.488 3.299 ( 0.571 2.406 -0.980) 2.660 3.427 ( -4.181 -4.771 -0.811) 6.395 3.475 ( 0.854 -8.957 -1.273) 9.087 3.681 ( 0.301 -1.730 7.308) 7.516 3.803 ( -1.178 0.060 15.332) 15.377 3.898 ( 2.587 4.758 5.847) 7.969 4.083 ( -7.429 4.182 -7.911) 11.630 4.179 ( 4.377 11.844 9.241) 15.647 4.291 ( -2.517 6.230 3.428) 7.544 4.354 ( -1.892 4.335 0.006) 4.730 4.669 ( -8.501 2.891 -0.792) 9.014 4.856 ( 2.633 2.948 0.329) 3.966 4.929 ( 3.016 4.573 -2.473) 6.010 4.933 ( 0.999 6.371 -0.339) 6.457 5.113 ( -4.618 -1.496 1.305) 5.027 5.261 ( 2.363 6.279 3.720) 7.671 5.279 ( 0.208 3.624 -5.377) 6.488 5.479 ( -0.364 -2.410 -0.991) 2.631 5.519 ( -0.292 6.916 -0.924) 6.983 5.884 ( 1.263 -11.884 4.152) 12.651 5.992 ( 3.500 -6.369 -3.444) 8.042 6.283 ( 2.934 0.823 2.515) 3.951 6.452 ( 4.229 -2.761 -0.801) 5.114 6.552 ( 2.689 -5.957 1.647) 6.741 6.620 ( 1.260 -2.636 -0.081) 2.922 6.725 ( 0.508 3.663 1.362) 3.941 6.901 ( -3.239 -3.150 -1.672) 4.817 6.938 ( 0.907 -2.415 2.746) 3.767 7.202 ( -2.588 -2.369 -2.541) 4.331 7.667 ( -2.743 7.912 -2.014) 8.613 7.712 ( -3.514 5.880 -1.126) 6.943 8.227 ( 3.613 -1.630 1.620) 4.282 8.304 ( -0.693 -4.854 4.166) 6.434 8.436 ( 5.714 2.816 -1.691) 6.591 8.499 ( 3.043 -1.388 -0.773) 3.433 8.583 ( -3.658 -3.520 -0.560) 5.107 8.819 ( -1.200 -3.259 -1.135) 3.654 9.119 ( -2.621 4.643 0.413) 5.347 9.286 ( -1.863 6.141 -0.943) 6.487 9.683 ( 3.859 -7.440 3.165) 8.959 9.864 ( 0.063 -11.327 -3.697) 11.915 10.171 ( 3.296 3.248 0.602) 4.667 10.391 ( -6.461 1.354 -1.803) 6.843 10.549 ( -1.998 -1.691 -2.792) 3.827 10.608 ( 1.785 -2.765 -3.531) 4.827 10.764 ( 2.842 -1.760 2.782) 4.349 10.811 ( 0.491 -3.095 -2.058) 3.749 11.156 ( 4.497 1.378 -5.728) 7.411 11.291 ( -5.727 4.651 -3.142) 8.019 11.535 ( -1.121 -7.268 -10.077) 12.475 11.745 ( -8.803 -3.099 -5.828) 11.002 11.842 ( -0.443 0.574 4.802) 4.857 12.081 ( -4.448 4.724 -0.869) 6.546 12.195 ( 7.155 -5.158 8.610) 12.326 12.652 ( -2.450 -7.796 5.156) 9.663 12.790 ( 1.872 3.209 -4.012) 5.468 12.921 ( 2.329 -5.008 -2.143) 5.924 13.370 ( 1.229 0.272 0.763) 1.472 13.520 ( 2.056 -3.587 -2.339) 4.750 13.754 ( 2.877 -1.793 1.667) 3.778 13.773 ( 5.191 -1.981 0.154) 5.558 14.695 ( -4.170 3.298 4.581) 7.018 14.778 ( 4.577 4.082 4.748) 7.756 15.035 ( 1.240 12.874 -10.292) 16.529 15.295 ( -0.757 7.679 -9.967) 12.604 15.942 ( -3.639 -1.339 6.736) 7.772 16.106 ( 0.383 -3.171 2.264) 3.915 16.410 ( 0.407 2.692 3.113) 4.136 16.733 ( 2.834 -3.310 -9.661) 10.598 19.865 ( -1.448 1.748 6.312) 6.708 19.948 ( -0.620 1.635 2.885) 3.374 20.188 ( -0.480 0.742 3.598) 3.705 20.456 ( 0.796 -4.707 -4.328) 6.443 21.498 ( -1.491 -5.970 11.523) 13.064 21.642 ( 0.096 -11.625 9.021) 14.715 21.976 ( -2.200 -3.749 6.095) 7.487 22.058 ( 0.081 -5.547 5.640) 7.912 22.535 ( -0.605 1.762 4.281) 4.669 22.661 ( -2.155 0.794 1.015) 2.511 23.530 ( 0.934 4.899 0.377) 5.001 23.560 ( 0.752 4.244 0.017) 4.310 24.009 ( -0.232 2.941 0.025) 2.950 24.177 ( -0.012 -1.645 -5.985) 6.206 24.592 ( 0.088 8.284 -7.611) 11.250 24.647 ( 0.386 5.629 -9.691) 11.214 ======================= Grid point 148 (80/104) ======================= q-point: (-0.50 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( -16.376 2.019 10.839) 19.741 2.081 ( 4.967 1.735 3.199) 6.158 2.127 ( 0.087 3.794 4.526) 5.906 2.252 ( 8.295 3.312 -1.609) 9.076 2.432 ( -0.028 5.785 6.795) 8.924 2.723 ( -1.571 2.928 0.195) 3.329 2.779 ( 3.232 7.969 9.186) 12.583 2.801 ( 3.113 1.774 4.256) 5.564 2.914 ( -5.536 10.363 -2.499) 12.012 3.047 ( 0.305 5.670 -0.446) 5.696 3.188 ( 5.744 9.299 -7.145) 13.058 3.274 ( -3.081 2.234 -9.472) 10.208 3.367 ( -1.147 -3.149 7.360) 8.087 3.490 ( 0.505 -8.153 -0.862) 8.214 3.650 ( -4.817 -1.461 6.387) 8.132 3.827 ( -0.291 -1.933 15.687) 15.808 3.957 ( -2.133 3.464 -5.588) 6.912 3.986 ( 2.728 0.701 6.710) 7.277 4.171 ( -3.135 15.115 8.238) 17.497 4.326 ( -0.629 3.103 -4.537) 5.533 4.403 ( 7.831 6.224 5.725) 11.525 4.514 ( -6.654 0.767 -2.570) 7.174 4.911 ( -0.189 2.262 -0.018) 2.270 4.932 ( 1.661 3.315 -0.490) 3.740 4.952 ( 0.596 7.438 -1.684) 7.650 5.046 ( -3.191 0.204 2.205) 3.884 5.285 ( 0.248 4.057 -1.269) 4.258 5.304 ( 2.633 2.952 2.001) 4.433 5.453 ( -3.337 1.696 0.752) 3.818 5.495 ( -0.522 1.910 -2.185) 2.949 5.870 ( -2.461 -9.079 3.585) 10.066 6.019 ( 0.728 -4.412 -4.179) 6.120 6.355 ( 2.908 -1.213 4.594) 5.571 6.480 ( -2.710 -2.947 -2.021) 4.485 6.551 ( -0.751 -5.093 3.720) 6.351 6.675 ( 3.370 -5.876 -1.686) 6.981 6.770 ( 1.725 4.711 1.258) 5.172 6.880 ( 1.607 1.051 -1.614) 2.509 6.979 ( 3.498 -2.795 2.345) 5.055 7.098 ( -6.556 -2.008 -3.165) 7.551 7.643 ( 0.652 7.107 -1.987) 7.408 7.682 ( 0.826 7.322 -2.565) 7.802 8.262 ( -0.882 -1.540 5.582) 5.857 8.352 ( 3.765 -4.280 0.726) 5.746 8.471 ( -1.040 -0.089 -4.612) 4.728 8.522 ( -1.294 -2.296 -1.164) 2.881 8.571 ( 4.239 -3.928 3.687) 6.855 8.804 ( -0.298 -1.834 -3.622) 4.071 9.119 ( 2.068 4.298 0.916) 4.857 9.249 ( -1.189 6.577 -2.666) 7.196 9.716 ( -2.891 -9.594 4.202) 10.865 9.850 ( 0.686 -8.505 -3.244) 9.129 10.198 ( -3.648 6.593 1.763) 7.738 10.328 ( 1.878 -2.578 1.485) 3.519 10.506 ( -0.066 -2.523 -5.022) 5.621 10.655 ( 4.671 -2.110 -2.053) 5.521 10.821 ( 1.368 -1.132 2.471) 3.043 10.851 ( 4.835 -4.570 -3.015) 7.305 11.123 ( -7.476 0.502 -7.284) 10.450 11.194 ( 0.210 0.251 -8.351) 8.357 11.519 ( -1.662 -1.497 -0.977) 2.440 11.576 ( -6.887 -1.189 -4.222) 8.165 11.839 ( -1.144 2.267 5.678) 6.220 12.085 ( 5.217 2.356 -5.138) 7.692 12.344 ( 6.953 -5.248 8.818) 12.395 12.551 ( -6.696 -7.352 0.712) 9.970 12.850 ( 2.861 0.006 -0.766) 2.962 12.929 ( -1.331 -5.074 -2.317) 5.734 13.405 ( 1.923 -0.032 1.840) 2.662 13.520 ( -1.298 -2.197 -3.813) 4.588 13.794 ( 0.830 -1.027 1.179) 1.770 13.856 ( 3.610 -2.311 -1.424) 4.517 14.620 ( -5.466 5.681 7.596) 10.948 14.850 ( 2.005 2.951 4.409) 5.671 15.053 ( 3.676 10.971 -10.812) 15.836 15.223 ( -4.138 7.374 -10.237) 13.277 15.911 ( -1.506 0.416 7.655) 7.813 16.131 ( 1.996 -2.463 -0.168) 3.174 16.417 ( -0.885 2.489 4.606) 5.310 16.740 ( 0.464 -3.363 -9.335) 9.934 19.844 ( -2.286 2.280 6.405) 7.173 19.961 ( 1.027 0.843 3.236) 3.498 20.195 ( 0.068 0.314 3.424) 3.439 20.458 ( 0.930 -6.637 -5.558) 8.707 21.499 ( -2.150 -4.667 13.417) 14.368 21.649 ( -1.601 -10.242 8.145) 13.184 21.956 ( -1.516 -4.375 6.735) 8.173 22.074 ( -0.010 -5.713 4.997) 7.591 22.536 ( -0.440 0.451 2.831) 2.900 22.641 ( -0.133 2.127 1.853) 2.824 23.552 ( 1.240 4.954 0.432) 5.125 23.567 ( -0.087 4.489 0.171) 4.493 24.008 ( 0.160 3.174 -0.250) 3.188 24.160 ( -0.129 -1.398 -5.140) 5.328 24.572 ( 0.025 7.930 -7.734) 11.077 24.642 ( 1.741 5.959 -9.616) 11.446 ======================= Grid point 149 (81/104) ======================= q-point: (-0.33 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -9.115 8.445 13.196) 18.126 2.078 ( -6.237 9.382 7.737) 13.667 2.100 ( -2.595 2.420 2.367) 4.266 2.420 ( 6.922 2.128 -1.259) 7.351 2.538 ( 10.184 0.846 3.492) 10.800 2.693 ( -0.601 1.967 -3.167) 3.777 2.788 ( -3.308 11.454 0.941) 11.959 2.857 ( 2.715 7.647 2.820) 8.591 2.951 ( 8.513 0.240 3.246) 9.114 3.046 ( -2.736 12.033 -0.545) 12.352 3.207 ( 0.451 -0.799 -5.156) 5.237 3.336 ( 7.461 1.644 -0.705) 7.673 3.369 ( 0.917 4.302 0.021) 4.399 3.498 ( 0.370 -8.161 2.757) 8.622 3.574 ( -4.540 -0.205 5.557) 7.178 3.822 ( -5.119 0.569 13.562) 14.507 3.958 ( 4.107 1.811 -1.596) 4.764 4.056 ( 3.182 4.140 8.677) 10.127 4.197 ( 2.837 5.286 6.482) 8.832 4.291 ( -1.287 4.032 -4.041) 5.852 4.413 ( -3.388 5.278 -1.489) 6.446 4.562 ( 7.791 2.030 2.997) 8.591 4.867 ( -2.140 0.285 -1.686) 2.740 4.922 ( -3.239 6.579 1.801) 7.551 4.983 ( -2.808 3.731 -1.481) 4.899 5.008 ( 2.364 4.001 0.954) 4.745 5.273 ( -1.172 0.613 -2.051) 2.441 5.356 ( -2.731 -5.335 1.926) 6.295 5.369 ( -0.096 6.836 1.114) 6.926 5.520 ( 3.281 3.044 0.616) 4.518 5.835 ( -2.484 -6.016 3.369) 7.329 6.010 ( -0.879 -4.803 -3.636) 6.088 6.353 ( -5.677 0.051 0.638) 5.713 6.400 ( -2.622 -3.420 1.923) 4.718 6.564 ( 0.855 -4.205 1.898) 4.692 6.685 ( -2.283 -4.455 -3.547) 6.135 6.806 ( 3.575 0.429 2.183) 4.211 6.860 ( -3.640 3.284 -4.227) 6.473 7.019 ( -1.220 -3.813 -0.693) 4.062 7.078 ( 5.322 -1.267 2.061) 5.846 7.677 ( 3.435 6.132 -1.831) 7.263 7.723 ( 4.102 7.590 -2.697) 9.039 8.245 ( -2.070 -0.099 4.464) 4.921 8.352 ( -3.433 -0.072 -3.645) 5.008 8.412 ( -3.372 -1.056 -1.661) 3.904 8.575 ( 6.538 -4.350 -1.034) 7.921 8.658 ( 3.041 -4.208 3.307) 6.156 8.768 ( -1.983 -2.828 -5.807) 6.757 9.177 ( 3.612 2.531 0.662) 4.460 9.250 ( 1.947 5.948 -1.528) 6.443 9.627 ( -6.026 -7.201 3.568) 10.045 9.826 ( -4.093 -5.645 -1.166) 7.070 10.156 ( 1.159 1.926 -2.201) 3.147 10.345 ( -1.759 -2.419 7.032) 7.641 10.559 ( 5.887 -3.240 -10.367) 12.354 10.769 ( 6.771 -6.160 -2.857) 9.589 10.838 ( 0.836 -0.018 -0.759) 1.129 10.928 ( 3.987 -3.939 0.855) 5.670 11.032 ( -0.306 -0.229 -1.247) 1.305 11.144 ( -2.069 -1.238 -10.159) 10.441 11.389 ( -10.059 1.034 0.459) 10.123 11.549 ( 2.434 -1.830 2.676) 4.054 11.864 ( 2.608 3.930 4.971) 6.853 12.197 ( 7.708 2.665 -7.213) 10.888 12.423 ( -4.157 -6.432 0.813) 7.701 12.523 ( 7.091 -4.043 6.363) 10.350 12.830 ( -6.162 -2.195 -2.009) 6.843 12.879 ( -2.321 -3.193 -1.596) 4.258 13.428 ( -0.536 -2.265 1.191) 2.614 13.467 ( -2.544 -0.939 -3.278) 4.254 13.786 ( -1.854 0.037 -0.813) 2.025 13.880 ( -0.629 -2.691 -4.056) 4.908 14.550 ( -4.057 7.296 8.825) 12.148 14.881 ( 0.164 1.767 5.167) 5.463 15.106 ( 3.785 9.193 -7.679) 12.562 15.112 ( -3.576 7.695 -10.320) 13.360 15.926 ( 0.835 2.014 7.778) 8.078 16.170 ( 2.013 -1.959 -0.947) 2.964 16.401 ( -1.976 2.071 4.457) 5.298 16.708 ( -1.204 -3.954 -8.757) 9.684 19.824 ( -1.450 2.617 6.471) 7.129 19.992 ( 1.197 0.122 2.907) 3.146 20.202 ( -0.306 0.232 3.321) 3.344 20.463 ( 1.148 -7.479 -6.082) 9.708 21.484 ( -3.029 -3.880 13.899) 14.745 21.633 ( -2.393 -9.966 8.369) 13.232 21.959 ( -0.206 -4.494 7.164) 8.460 22.078 ( -0.920 -5.305 4.724) 7.163 22.534 ( -0.472 1.165 3.425) 3.648 22.665 ( 1.971 1.760 1.350) 2.968 23.550 ( -1.315 4.388 0.003) 4.581 23.576 ( 0.808 5.097 -0.445) 5.180 24.013 ( 0.504 3.277 -0.794) 3.409 24.153 ( 0.792 -1.574 -4.373) 4.715 24.561 ( 1.044 8.242 -7.546) 11.223 24.658 ( 2.472 5.673 -9.479) 11.320 ======================= Grid point 150 (82/104) ======================= q-point: (-0.17 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 1.111 12.909 12.933) 18.307 1.959 ( -8.544 14.049 9.938) 19.213 2.046 ( -3.034 5.250 0.795) 6.116 2.498 ( 2.971 -1.729 -4.393) 5.578 2.659 ( 0.925 5.298 -3.464) 6.398 2.743 ( 2.817 3.554 3.810) 5.923 2.779 ( 4.594 -1.119 0.045) 4.729 2.887 ( -1.853 9.013 -0.556) 9.218 3.003 ( 1.863 7.396 2.570) 8.048 3.126 ( 9.039 3.795 2.793) 10.193 3.204 ( -2.024 6.683 1.707) 7.189 3.298 ( -3.741 -5.150 0.227) 6.369 3.513 ( 0.566 0.953 6.652) 6.743 3.516 ( 4.827 4.566 0.872) 6.701 3.530 ( 0.611 -7.059 -2.378) 7.473 3.749 ( -6.001 1.773 12.301) 13.801 4.048 ( 3.609 2.018 2.204) 4.685 4.139 ( 2.681 3.168 0.921) 4.251 4.182 ( -3.569 4.612 3.799) 6.960 4.306 ( 0.254 1.199 1.993) 2.340 4.437 ( 7.644 11.522 0.252) 13.830 4.708 ( 5.737 3.227 5.492) 8.572 4.803 ( -5.691 3.514 1.274) 6.809 4.884 ( -0.710 4.054 0.683) 4.172 4.928 ( 2.559 3.840 -4.400) 6.376 5.047 ( 0.472 1.996 2.606) 3.316 5.225 ( -4.256 -4.962 3.777) 7.550 5.285 ( -1.400 0.770 -6.576) 6.767 5.419 ( 2.509 3.095 0.535) 4.020 5.580 ( 0.760 4.677 1.223) 4.894 5.781 ( -3.540 -7.043 2.147) 8.170 5.955 ( -3.760 -7.266 -3.738) 8.994 6.264 ( -2.622 3.462 0.751) 4.408 6.353 ( -2.954 -3.115 0.421) 4.313 6.570 ( -1.087 -3.776 -1.723) 4.290 6.621 ( -2.361 -3.264 -0.405) 4.049 6.814 ( 0.432 0.330 -1.791) 1.872 6.890 ( 3.405 -0.187 1.060) 3.571 6.993 ( -1.344 -3.356 0.713) 3.685 7.145 ( 1.380 -2.846 -0.210) 3.170 7.744 ( 3.623 5.793 -0.516) 6.852 7.801 ( 4.483 6.255 -1.240) 7.795 8.213 ( -2.214 5.238 1.232) 5.819 8.264 ( -3.741 -3.203 -5.683) 7.520 8.361 ( -1.844 1.107 0.804) 2.296 8.598 ( -6.272 -1.367 -6.775) 9.333 8.708 ( 5.540 -4.836 0.990) 7.420 8.770 ( 1.797 -6.370 0.132) 6.620 9.252 ( 4.209 0.947 0.145) 4.317 9.285 ( 1.183 4.247 2.048) 4.861 9.557 ( -2.559 -4.653 2.499) 5.869 9.735 ( -3.401 -2.414 -1.578) 4.460 10.204 ( 2.850 -2.614 -0.728) 3.935 10.338 ( 0.690 -1.285 1.866) 2.368 10.598 ( 1.072 -4.682 -7.808) 9.167 10.764 ( -3.349 -3.659 -8.525) 9.864 10.910 ( 5.007 -2.210 -3.453) 6.472 10.948 ( -0.914 -3.585 -0.065) 3.700 11.088 ( -3.973 -2.771 1.467) 5.062 11.098 ( -1.594 -3.572 -4.819) 6.206 11.295 ( 8.991 4.273 5.170) 11.217 11.652 ( 6.296 -5.151 6.809) 10.608 11.940 ( 3.433 4.511 4.081) 6.985 12.314 ( -2.343 -4.951 -4.439) 7.050 12.321 ( 2.631 4.680 -7.816) 9.482 12.663 ( -7.276 2.740 -0.806) 7.816 12.681 ( 4.097 -6.013 5.654) 9.215 12.825 ( -2.264 -2.087 -0.340) 3.098 13.399 ( -0.921 -2.720 -1.459) 3.222 13.432 ( -1.826 -2.881 0.618) 3.466 13.724 ( -3.948 0.299 -2.663) 4.771 13.814 ( -4.704 -2.750 -5.107) 7.468 14.529 ( -0.383 7.685 8.250) 11.282 14.866 ( -3.133 -0.241 2.071) 3.763 15.050 ( 0.004 11.423 -3.849) 12.054 15.177 ( 5.196 7.083 -7.979) 11.867 15.970 ( 1.526 1.855 7.278) 7.664 16.184 ( -0.814 -1.972 1.287) 2.492 16.379 ( -0.913 1.792 2.040) 2.865 16.664 ( -0.701 -4.611 -8.510) 9.704 19.825 ( -0.297 2.562 6.466) 6.961 20.010 ( -0.022 0.005 1.902) 1.902 20.202 ( -0.624 0.443 3.755) 3.832 20.465 ( 0.588 -6.046 -5.502) 8.195 21.474 ( -1.433 -5.013 13.181) 14.175 21.604 ( -3.006 -10.430 8.787) 13.966 21.979 ( 0.205 -4.155 7.126) 8.252 22.068 ( -1.403 -4.731 5.037) 7.051 22.537 ( -0.364 2.335 4.849) 5.394 22.704 ( 1.657 0.843 0.584) 1.949 23.523 ( -1.316 4.638 -0.219) 4.826 23.578 ( -0.264 4.612 -1.458) 4.844 24.018 ( 0.209 3.093 -0.930) 3.237 24.166 ( 1.738 -1.989 -4.766) 5.449 24.573 ( 2.181 8.629 -7.085) 11.376 24.677 ( 2.112 5.303 -9.559) 11.134 ======================= Grid point 151 (83/104) ======================= q-point: ( 0.00 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 4.509 10.114 4.948) 12.128 2.039 ( -0.861 0.940 -0.131) 1.281 2.213 ( -5.558 14.101 10.794) 18.607 2.497 ( -2.285 -9.187 2.628) 9.825 2.594 ( -3.781 -0.390 1.768) 4.192 2.688 ( -3.233 -6.696 0.914) 7.491 2.823 ( 0.942 8.359 -3.596) 9.149 2.952 ( 3.246 -1.864 -4.322) 5.718 3.169 ( 1.958 3.010 -0.457) 3.620 3.177 ( 0.074 0.118 -0.369) 0.394 3.250 ( 0.434 1.911 0.423) 2.005 3.299 ( -0.697 -3.515 1.642) 3.942 3.413 ( -2.102 0.303 1.827) 2.802 3.484 ( -5.171 -4.153 1.227) 6.744 3.745 ( -0.135 6.381 9.447) 11.401 3.812 ( -0.163 1.537 7.578) 7.734 4.151 ( 3.656 3.511 1.585) 5.311 4.160 ( -0.402 2.965 0.349) 3.012 4.329 ( -0.403 7.339 4.506) 8.622 4.394 ( -0.719 5.395 -0.864) 5.511 4.701 ( -1.031 -0.805 7.836) 7.944 4.766 ( 3.702 -3.567 5.016) 7.183 4.849 ( 1.003 5.730 0.265) 5.823 4.940 ( -2.363 -0.420 -3.295) 4.076 5.043 ( -0.978 6.517 5.323) 8.471 5.153 ( 6.048 3.548 4.250) 8.199 5.216 ( 8.623 0.785 3.326) 9.275 5.319 ( -5.205 -9.907 0.497) 11.202 5.366 ( 0.329 2.898 -6.161) 6.816 5.468 ( -0.860 -2.126 -4.712) 5.240 5.724 ( -3.294 1.868 -0.830) 3.877 5.787 ( -0.699 -3.913 -3.604) 5.366 6.262 ( -0.542 1.631 1.915) 2.573 6.319 ( 0.500 -1.624 0.114) 1.704 6.518 ( -2.395 0.052 0.145) 2.400 6.547 ( 0.064 -0.953 -2.229) 2.425 6.826 ( 1.661 2.492 2.776) 4.083 6.906 ( -3.733 1.329 -0.404) 3.983 6.924 ( 2.825 -4.294 1.154) 5.268 7.006 ( -1.947 -6.950 -1.552) 7.382 7.893 ( 1.448 3.587 2.892) 4.830 7.934 ( 0.541 1.374 4.411) 4.652 8.151 ( -4.074 1.799 -6.069) 7.528 8.244 ( -3.378 -3.809 -6.230) 8.046 8.422 ( 0.205 5.638 1.711) 5.896 8.482 ( 0.022 1.451 -1.633) 2.185 8.629 ( -1.764 -3.326 1.260) 3.970 8.675 ( 3.139 -6.821 0.022) 7.509 9.327 ( 1.499 1.694 2.948) 3.716 9.361 ( 2.233 -0.602 4.234) 4.824 9.519 ( -1.983 4.474 -4.362) 6.556 9.642 ( -0.158 -5.759 -6.449) 8.648 10.231 ( 0.353 3.663 1.038) 3.824 10.330 ( 3.445 -4.852 -3.964) 7.149 10.553 ( 1.574 0.941 -4.557) 4.913 10.610 ( -1.344 -3.548 -6.549) 7.569 10.841 ( -4.837 -0.746 0.847) 4.967 10.847 ( -6.083 -1.407 3.732) 7.274 11.030 ( 2.530 -0.017 -7.281) 7.708 11.055 ( 6.642 -2.142 -6.251) 9.369 11.616 ( 11.765 2.083 10.196) 15.707 11.679 ( 7.530 -3.805 9.253) 12.522 12.001 ( -8.451 2.295 -3.451) 9.413 12.055 ( -7.885 -2.833 -4.708) 9.610 12.492 ( -2.769 3.462 -1.815) 4.791 12.541 ( -1.102 0.138 -3.562) 3.731 12.759 ( 4.508 -0.144 2.782) 5.299 12.788 ( 2.122 -2.315 1.843) 3.641 13.345 ( -0.343 -1.151 0.285) 1.234 13.347 ( 0.308 -1.462 0.463) 1.564 13.654 ( -2.140 0.050 -3.337) 3.965 13.673 ( -2.891 -1.665 -4.123) 5.304 14.712 ( 1.079 5.415 5.838) 8.035 14.792 ( -1.465 -2.133 3.598) 4.432 15.273 ( 2.687 7.319 -6.089) 9.892 15.340 ( 4.447 0.972 -8.198) 9.377 16.030 ( -2.406 2.153 7.037) 7.743 16.088 ( -3.849 -3.092 6.491) 8.155 16.438 ( 1.619 3.873 -4.928) 6.473 16.542 ( 2.294 -5.639 -7.620) 9.753 19.900 ( -0.543 3.276 7.827) 8.502 19.971 ( -1.179 -3.027 7.120) 7.826 20.258 ( 0.407 4.593 -2.839) 5.415 20.364 ( 0.985 -5.033 -4.864) 7.068 21.400 ( -1.437 -2.065 11.666) 11.934 21.418 ( -2.480 -3.996 10.803) 11.783 21.941 ( 0.104 -1.062 3.277) 3.446 21.964 ( -0.526 -3.194 2.437) 4.051 22.627 ( -1.194 4.294 8.055) 9.206 22.698 ( -1.074 -2.229 5.560) 6.086 23.585 ( -0.398 2.582 -0.532) 2.666 23.610 ( -0.518 0.296 -1.714) 1.815 24.077 ( 0.181 2.756 -1.425) 3.107 24.133 ( 0.813 -2.549 -3.126) 4.115 24.732 ( 1.921 3.919 -9.423) 10.385 24.757 ( 1.438 1.472 -10.047) 10.255 ======================= Grid point 152 (84/104) ======================= q-point: ( 0.17 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( -1.002 6.774 2.850) 7.417 2.011 ( 0.924 4.170 3.200) 5.337 2.176 ( -1.528 9.161 7.797) 12.126 2.392 ( -8.164 -9.487 8.021) 14.866 2.590 ( 0.991 -1.158 1.629) 2.231 2.612 ( -4.464 -3.682 1.504) 5.979 2.854 ( 2.335 12.662 -1.627) 12.978 3.012 ( 2.731 5.322 -3.279) 6.821 3.139 ( -3.799 -2.411 3.906) 5.959 3.170 ( -0.494 -7.862 0.241) 7.881 3.212 ( -2.104 2.955 -4.323) 5.644 3.319 ( 1.518 3.681 2.112) 4.507 3.369 ( -4.993 -6.230 -0.938) 8.039 3.420 ( -1.541 -2.329 2.446) 3.712 3.736 ( -3.075 4.215 10.688) 11.894 3.801 ( -3.357 -1.593 11.556) 12.139 4.098 ( -5.356 8.653 -0.771) 10.206 4.186 ( -0.769 -0.324 -3.439) 3.539 4.327 ( 0.975 8.157 -0.486) 8.229 4.403 ( 1.537 3.841 -0.755) 4.206 4.598 ( -9.753 6.226 4.317) 12.349 4.797 ( -1.728 -6.835 5.321) 8.833 4.863 ( 0.334 4.516 1.845) 4.890 4.922 ( 1.218 0.415 -1.259) 1.800 5.062 ( 2.231 7.508 5.057) 9.323 5.247 ( -1.070 -6.513 4.978) 8.267 5.289 ( 1.023 7.223 -4.038) 8.338 5.332 ( 6.683 2.849 -2.947) 7.840 5.408 ( -1.176 -0.927 -6.694) 6.860 5.515 ( 9.258 -7.492 2.387) 12.146 5.664 ( -0.700 4.502 -0.359) 4.570 5.798 ( 1.996 -6.821 -0.730) 7.144 6.282 ( 1.919 2.924 2.322) 4.198 6.356 ( 3.607 -1.913 -0.415) 4.104 6.460 ( -3.221 0.528 1.282) 3.507 6.536 ( -1.173 -4.473 -0.914) 4.714 6.834 ( -1.664 4.750 -0.290) 5.042 6.883 ( 1.363 1.078 3.598) 3.996 6.893 ( -3.445 -2.519 -0.775) 4.337 7.047 ( 3.909 -8.968 0.421) 9.792 7.884 ( -3.704 3.869 2.085) 5.748 7.899 ( -3.937 4.652 1.894) 6.382 8.116 ( 1.261 -0.736 -1.403) 2.024 8.200 ( -0.133 -6.586 -1.801) 6.830 8.438 ( 1.086 4.781 0.321) 4.913 8.495 ( 0.911 0.749 -1.739) 2.101 8.598 ( -1.332 1.066 -0.081) 1.708 8.710 ( 0.870 -7.112 0.309) 7.172 9.308 ( -3.609 5.709 0.602) 6.781 9.386 ( -0.161 0.696 2.650) 2.745 9.517 ( 2.103 -0.548 -1.166) 2.467 9.621 ( 0.064 -8.839 -6.265) 10.835 10.249 ( 1.992 6.570 -1.602) 7.050 10.395 ( 4.108 -6.348 -3.391) 8.287 10.544 ( -2.527 -0.374 -5.073) 5.679 10.563 ( -1.011 -1.566 -6.657) 6.913 10.751 ( -3.468 0.779 2.939) 4.612 10.779 ( -2.632 -1.886 1.733) 3.672 11.108 ( 7.424 3.625 -5.558) 9.958 11.214 ( 10.910 -5.068 -4.567) 12.867 11.716 ( -12.021 3.894 -6.711) 14.308 11.796 ( -1.991 -2.965 -0.979) 3.703 11.829 ( 1.525 1.852 8.680) 9.006 11.931 ( -0.843 -6.991 3.858) 8.029 12.366 ( -7.651 7.927 1.368) 11.102 12.527 ( -2.459 -6.364 1.438) 6.973 12.816 ( 2.081 0.968 -2.669) 3.520 12.839 ( 2.776 -0.943 -1.883) 3.485 13.355 ( 1.524 0.583 0.160) 1.640 13.388 ( 3.235 -2.694 0.030) 4.210 13.659 ( 2.843 -0.777 -0.205) 2.955 13.664 ( 2.629 -1.061 -1.041) 3.019 14.757 ( 1.944 2.826 4.848) 5.939 14.784 ( -0.404 0.341 3.846) 3.882 15.290 ( 1.157 8.743 -9.018) 12.614 15.384 ( 2.582 0.042 -10.041) 10.367 15.990 ( -3.645 1.160 7.577) 8.488 16.039 ( -2.853 -3.186 7.485) 8.621 16.468 ( 2.607 4.810 -4.431) 7.041 16.585 ( 4.020 -5.876 -7.734) 10.512 19.907 ( -0.905 2.610 7.738) 8.216 19.961 ( -1.793 -2.062 7.019) 7.532 20.254 ( 0.034 4.660 -2.983) 5.533 20.363 ( 0.259 -5.109 -5.080) 7.209 21.404 ( -1.309 -2.130 11.358) 11.630 21.425 ( -0.075 -4.475 11.941) 12.752 21.941 ( -0.968 -1.394 2.642) 3.140 21.955 ( -0.930 -2.897 2.501) 3.939 22.620 ( -1.819 3.980 8.242) 9.331 22.683 ( -2.033 -1.845 5.800) 6.417 23.585 ( 0.505 2.251 -0.025) 2.307 23.604 ( 0.313 0.638 -1.353) 1.528 24.076 ( 0.046 2.961 -1.260) 3.218 24.136 ( 0.418 -2.724 -3.289) 4.291 24.734 ( 0.931 3.540 -9.636) 10.308 24.750 ( 0.692 1.905 -10.217) 10.417 ======================= Grid point 153 (85/104) ======================= q-point: ( 0.33 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( -0.230 2.484 6.099) 6.590 2.020 ( -2.838 0.393 4.690) 5.496 2.181 ( 1.266 6.281 2.298) 6.807 2.287 ( -4.180 -2.423 6.807) 8.348 2.552 ( -2.258 2.249 4.597) 5.594 2.624 ( 1.809 -4.228 5.702) 7.325 2.882 ( 0.454 11.827 -0.502) 11.847 3.001 ( -2.045 6.830 3.993) 8.172 3.077 ( -3.528 1.900 3.257) 5.164 3.174 ( 0.524 -2.815 -5.678) 6.359 3.239 ( 4.995 -2.318 -1.621) 5.740 3.259 ( -5.705 -6.947 -0.850) 9.029 3.341 ( 0.655 -0.126 -2.379) 2.471 3.376 ( -2.990 0.151 -1.582) 3.387 3.703 ( -3.315 3.034 12.274) 13.070 3.769 ( -3.378 -2.949 15.323) 15.965 4.015 ( -2.849 6.096 0.568) 6.753 4.101 ( -6.098 -1.800 -5.833) 8.629 4.362 ( 2.925 3.161 -6.107) 7.473 4.406 ( -0.292 -0.094 -6.187) 6.194 4.505 ( -0.841 15.389 7.492) 17.136 4.752 ( -4.742 -2.381 3.594) 6.409 4.870 ( 0.392 0.876 3.432) 3.564 4.949 ( 0.416 -1.787 1.287) 2.241 5.104 ( 0.522 7.537 2.430) 7.936 5.172 ( -6.456 4.448 1.316) 7.949 5.300 ( 1.365 0.670 0.278) 1.545 5.359 ( -1.421 0.913 -4.774) 5.064 5.438 ( 3.594 1.148 -3.636) 5.240 5.602 ( 1.149 -10.145 -0.124) 10.211 5.716 ( 3.810 6.823 3.252) 8.464 5.862 ( 4.023 -5.958 -0.378) 7.199 6.332 ( 2.206 3.789 3.153) 5.400 6.432 ( 2.249 -5.325 2.564) 6.324 6.439 ( 1.891 1.540 0.470) 2.484 6.514 ( -0.059 -5.214 0.155) 5.216 6.828 ( 1.395 0.758 0.346) 1.625 6.840 ( -0.979 -1.372 0.248) 1.703 6.917 ( 0.387 4.744 2.532) 5.391 7.084 ( -0.638 -8.127 -0.600) 8.174 7.813 ( -2.892 5.312 -0.758) 6.095 7.837 ( -2.872 4.140 0.955) 5.129 8.167 ( 3.789 -2.496 1.143) 4.679 8.199 ( -0.603 -4.565 4.083) 6.154 8.461 ( 1.266 0.353 -0.152) 1.323 8.485 ( -1.483 -1.751 -2.456) 3.361 8.590 ( 0.499 5.466 -1.471) 5.682 8.721 ( 0.618 -5.942 -0.879) 6.039 9.250 ( -2.201 7.659 0.605) 7.992 9.371 ( -1.876 -0.174 1.209) 2.239 9.553 ( 1.752 -3.264 -0.882) 3.808 9.623 ( 1.886 -8.950 -5.537) 10.692 10.298 ( 3.718 7.704 -1.731) 8.728 10.422 ( -2.837 -0.276 -0.352) 2.872 10.483 ( -1.179 -2.894 -5.206) 6.072 10.529 ( 0.733 -4.345 -8.639) 9.698 10.736 ( 0.767 0.159 2.586) 2.702 10.762 ( 0.166 -1.868 2.372) 3.024 11.229 ( 5.546 5.782 -6.823) 10.523 11.377 ( 2.120 -7.578 -9.605) 12.417 11.441 ( -7.753 8.570 -3.140) 11.976 11.623 ( -9.373 -7.954 -5.858) 13.617 11.895 ( 1.870 4.280 8.183) 9.423 12.018 ( 3.371 -7.068 8.290) 11.404 12.258 ( -3.937 8.393 2.849) 9.698 12.455 ( -5.486 -9.957 3.585) 11.920 12.846 ( 2.327 2.009 -4.904) 5.788 12.875 ( 1.974 -0.906 -4.252) 4.775 13.390 ( 1.984 1.683 0.321) 2.622 13.443 ( 2.459 -3.309 -0.941) 4.229 13.727 ( 3.755 -0.384 1.413) 4.030 13.739 ( 4.637 -1.281 0.682) 4.859 14.772 ( -1.238 3.502 5.895) 6.968 14.818 ( 1.844 -0.368 5.828) 6.124 15.271 ( -0.073 8.644 -12.136) 14.900 15.373 ( -0.857 -0.647 -11.779) 11.827 15.956 ( -1.747 2.589 7.759) 8.364 16.031 ( -0.058 -3.904 6.403) 7.500 16.499 ( 1.663 5.669 -3.403) 6.819 16.630 ( 2.665 -6.140 -7.662) 10.174 19.905 ( -1.491 2.089 7.745) 8.160 19.946 ( -1.633 -1.493 7.355) 7.680 20.247 ( 0.110 4.400 -3.256) 5.475 20.351 ( -0.047 -5.141 -5.278) 7.368 21.417 ( -0.625 -1.276 12.468) 12.549 21.458 ( 0.060 -5.413 12.234) 13.378 21.921 ( -1.670 -1.089 1.890) 2.747 21.947 ( -0.575 -3.713 1.706) 4.126 22.607 ( -1.711 3.718 8.005) 8.991 22.661 ( -1.761 -1.201 6.093) 6.455 23.600 ( 0.989 2.029 0.276) 2.274 23.614 ( 0.880 0.844 -0.533) 1.331 24.073 ( 0.012 2.997 -1.175) 3.219 24.132 ( 0.041 -2.546 -3.107) 4.017 24.720 ( 0.336 3.542 -9.894) 10.515 24.735 ( 0.706 2.043 -10.435) 10.657 ======================= Grid point 154 (86/104) ======================= q-point: (-0.50 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( -8.968 5.133 9.257) 13.873 2.005 ( -1.634 -4.838 6.168) 8.008 2.278 ( 7.661 5.149 -0.003) 9.231 2.316 ( 6.941 1.473 -1.657) 7.287 2.538 ( -2.056 5.776 9.382) 11.208 2.677 ( 1.058 -5.837 7.264) 9.379 2.887 ( 1.350 7.989 1.936) 8.331 2.995 ( -0.480 7.558 4.963) 9.055 3.044 ( -0.567 -4.004 -0.954) 4.155 3.101 ( -4.723 5.368 -1.394) 7.285 3.197 ( -2.302 -4.653 -3.327) 6.166 3.283 ( -1.082 -4.243 -0.567) 4.415 3.361 ( 4.594 1.609 -6.106) 7.809 3.392 ( 5.757 0.004 -4.286) 7.177 3.678 ( -3.121 3.722 12.738) 13.632 3.766 ( -1.378 -3.812 15.715) 16.229 3.991 ( -2.186 0.662 -1.747) 2.876 4.002 ( -0.641 0.247 0.453) 0.824 4.381 ( 0.844 2.149 -8.188) 8.508 4.401 ( 1.626 1.808 -6.177) 6.639 4.539 ( 1.494 11.661 6.396) 13.384 4.647 ( -6.553 7.179 2.829) 10.124 4.879 ( -2.268 -4.275 4.665) 6.722 4.938 ( -0.163 -3.312 1.616) 3.689 5.079 ( -3.915 3.381 3.496) 6.243 5.117 ( -0.058 2.932 2.831) 4.076 5.293 ( -2.481 -0.259 -1.360) 2.841 5.319 ( 0.194 -0.235 -4.206) 4.217 5.506 ( 4.227 3.666 0.978) 5.680 5.583 ( -3.680 -0.641 -1.177) 3.916 5.775 ( 1.867 3.627 3.429) 5.329 5.903 ( 0.684 -5.996 -2.380) 6.487 6.368 ( 0.666 1.941 3.919) 4.424 6.431 ( -2.378 -3.600 2.467) 4.970 6.480 ( 1.744 0.645 0.878) 2.056 6.550 ( 2.636 -5.312 -0.603) 5.961 6.848 ( -0.285 2.145 2.286) 3.147 6.899 ( 4.819 -2.015 2.272) 5.696 6.917 ( 1.153 2.073 -0.696) 2.472 7.019 ( -5.137 -5.164 -2.333) 7.648 7.786 ( -0.153 5.533 -0.313) 5.544 7.814 ( 0.386 3.626 -0.354) 3.664 8.203 ( 0.207 -1.579 3.747) 4.072 8.253 ( 4.838 -5.236 1.189) 7.227 8.449 ( -1.195 0.216 -0.961) 1.549 8.487 ( 1.796 -3.066 1.209) 3.753 8.588 ( -0.535 5.821 -2.819) 6.490 8.721 ( -0.521 -5.825 -3.610) 6.872 9.232 ( -0.457 6.230 2.101) 6.591 9.334 ( -2.232 -0.695 0.835) 2.482 9.569 ( 0.418 -1.817 -2.608) 3.206 9.657 ( 2.854 -8.113 -5.323) 10.114 10.329 ( -5.617 3.811 -0.397) 6.800 10.348 ( -0.249 3.358 3.860) 5.122 10.462 ( 2.594 -0.086 -7.950) 8.363 10.564 ( 3.971 -6.525 -8.119) 11.147 10.785 ( 3.701 -0.857 2.460) 4.525 10.795 ( 2.484 -1.176 4.122) 4.954 11.170 ( -9.194 3.080 -10.005) 13.933 11.207 ( -4.679 0.014 -10.674) 11.655 11.489 ( 0.493 -0.526 0.347) 0.800 11.522 ( -1.777 -3.138 -1.707) 3.990 11.939 ( 1.118 6.838 7.362) 10.110 12.086 ( 3.874 -4.901 3.126) 6.986 12.262 ( 2.825 1.261 4.921) 5.812 12.377 ( -2.900 -7.933 2.183) 8.724 12.866 ( 0.817 0.889 -4.847) 4.995 12.881 ( -0.399 -0.686 -4.747) 4.813 13.417 ( 0.421 1.243 0.883) 1.582 13.461 ( -0.351 -2.846 -1.286) 3.143 13.785 ( 2.010 0.430 0.517) 2.120 13.811 ( 2.879 -1.876 -0.688) 3.505 14.754 ( -2.778 6.258 8.558) 10.960 14.854 ( -0.014 -2.648 7.401) 7.860 15.239 ( 0.381 6.249 -12.549) 14.024 15.304 ( -2.787 0.261 -11.727) 12.057 15.968 ( 0.724 4.338 6.776) 8.078 16.062 ( 1.773 -4.131 4.315) 6.231 16.504 ( -0.335 5.708 -2.636) 6.296 16.636 ( 0.051 -6.155 -7.371) 9.603 19.894 ( -1.763 2.455 7.898) 8.457 19.944 ( -0.764 -2.058 7.704) 8.011 20.244 ( 0.564 3.900 -3.311) 5.147 20.339 ( 0.320 -4.935 -5.306) 7.254 21.435 ( -1.340 -0.882 13.338) 13.434 21.479 ( -1.286 -5.301 12.038) 13.216 21.900 ( -0.810 -0.573 1.675) 1.947 21.944 ( 0.031 -4.803 0.817) 4.872 22.601 ( -1.007 3.813 7.641) 8.599 22.655 ( -0.535 -0.956 6.115) 6.212 23.618 ( 0.665 1.771 0.386) 1.930 23.627 ( 0.581 1.051 -0.366) 1.255 24.071 ( 0.196 2.798 -1.206) 3.053 24.123 ( -0.077 -2.111 -2.784) 3.495 24.703 ( 0.753 3.973 -9.957) 10.747 24.728 ( 1.436 1.669 -10.488) 10.717 ======================= Grid point 155 (87/104) ======================= q-point: (-0.33 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( -2.735 10.345 8.740) 13.816 1.997 ( 0.188 -7.369 3.687) 8.242 2.360 ( -0.329 11.724 6.620) 13.468 2.502 ( 9.769 2.246 -4.120) 10.838 2.516 ( -0.336 0.565 6.115) 6.151 2.677 ( -1.530 -6.414 3.112) 7.291 2.938 ( 1.071 4.853 -0.685) 5.017 2.994 ( -2.662 5.088 -0.228) 5.747 3.009 ( 2.650 5.311 0.481) 5.955 3.122 ( 2.467 -5.387 0.360) 5.936 3.139 ( -0.433 -0.411 0.159) 0.618 3.273 ( 1.127 -9.666 -2.002) 9.935 3.456 ( 5.333 6.466 -2.691) 8.803 3.493 ( 6.197 2.844 -6.137) 9.174 3.650 ( -3.123 6.482 12.536) 14.454 3.775 ( -1.806 -4.237 11.330) 12.231 3.982 ( 2.641 1.220 -0.965) 3.065 4.041 ( 3.258 -3.622 5.094) 7.048 4.363 ( -1.115 4.755 -3.960) 6.288 4.406 ( 0.144 4.544 -4.883) 6.672 4.557 ( -0.146 8.408 5.247) 9.912 4.611 ( 1.934 4.325 6.187) 7.792 4.834 ( -2.340 -2.133 2.094) 3.796 4.931 ( -2.071 -7.837 4.565) 9.303 5.048 ( -0.426 4.286 2.498) 4.979 5.114 ( -1.660 0.562 6.186) 6.429 5.267 ( 0.787 1.600 -3.279) 3.732 5.327 ( 0.539 0.794 -2.022) 2.239 5.466 ( -7.265 4.814 -1.694) 8.878 5.576 ( 2.587 -1.974 1.344) 3.521 5.791 ( -1.880 2.842 1.728) 3.820 5.885 ( -1.089 -5.196 -3.129) 6.163 6.366 ( -2.473 0.095 3.001) 3.890 6.378 ( -3.366 0.181 1.746) 3.796 6.507 ( 1.322 0.581 -0.051) 1.445 6.582 ( 0.859 -5.032 -2.902) 5.871 6.818 ( -1.413 1.468 1.479) 2.518 6.877 ( -5.356 -2.956 -1.210) 6.236 6.965 ( 2.214 0.916 0.053) 2.397 7.021 ( 3.642 -3.458 1.455) 5.229 7.801 ( 1.883 4.814 -0.459) 5.190 7.839 ( 2.070 2.117 -0.075) 2.962 8.224 ( 1.439 1.586 0.806) 2.288 8.324 ( 1.950 -5.682 -1.257) 6.137 8.447 ( 0.179 4.208 1.550) 4.488 8.527 ( 1.833 -0.664 -1.150) 2.263 8.573 ( 0.756 -1.040 1.303) 1.830 8.671 ( -3.457 -6.037 -6.122) 9.267 9.239 ( 0.681 3.380 2.452) 4.231 9.305 ( -1.183 -1.670 2.723) 3.407 9.564 ( 0.364 2.540 -4.442) 5.130 9.679 ( 0.770 -7.137 -5.615) 9.114 10.243 ( -3.104 5.309 -0.329) 6.159 10.324 ( -2.059 -1.464 3.826) 4.585 10.516 ( 3.452 0.529 -7.836) 8.579 10.613 ( 3.199 -7.546 -7.231) 10.931 10.855 ( 2.723 1.226 1.362) 3.282 10.879 ( 4.507 -1.226 3.856) 6.057 11.048 ( -1.760 1.910 -4.035) 4.798 11.102 ( -2.683 -2.700 -7.872) 8.744 11.424 ( -5.978 2.420 0.607) 6.478 11.489 ( -1.509 -3.450 1.321) 3.990 11.995 ( 3.155 8.162 5.459) 10.314 12.173 ( 3.635 -6.988 1.093) 7.952 12.332 ( 3.663 1.023 0.614) 3.852 12.412 ( 6.281 -5.416 3.146) 8.870 12.827 ( -4.021 0.876 -4.254) 5.919 12.844 ( -2.127 -0.734 -3.986) 4.577 13.403 ( -2.036 0.011 0.615) 2.127 13.427 ( -2.603 -2.015 -0.972) 3.432 13.793 ( -1.153 0.904 -1.912) 2.409 13.827 ( -0.914 -2.207 -3.278) 4.056 14.719 ( -3.268 7.803 9.360) 12.617 14.851 ( -2.332 -4.309 7.894) 9.291 15.231 ( 1.380 3.713 -10.937) 11.633 15.244 ( 0.484 2.854 -9.022) 9.475 16.005 ( 1.337 4.887 5.886) 7.766 16.105 ( 1.533 -4.152 3.245) 5.488 16.477 ( -1.741 5.101 -2.669) 6.015 16.600 ( -1.780 -6.013 -7.041) 9.428 19.886 ( -1.212 3.194 8.005) 8.703 19.954 ( -0.304 -3.061 7.782) 8.368 20.249 ( 0.767 3.731 -3.191) 4.969 20.339 ( 1.175 -4.758 -5.049) 7.036 21.430 ( -2.783 -0.720 12.906) 13.222 21.472 ( -2.671 -4.945 11.439) 12.745 21.903 ( 0.514 -0.394 2.269) 2.360 21.952 ( 0.420 -4.915 0.975) 5.028 22.609 ( -0.365 4.157 7.519) 8.600 22.670 ( 0.413 -1.380 5.787) 5.964 23.618 ( -0.620 2.041 -0.197) 2.142 23.633 ( 0.128 0.756 -0.638) 0.998 24.074 ( 0.382 2.468 -1.445) 2.886 24.118 ( 0.349 -1.807 -2.521) 3.121 24.701 ( 1.767 4.398 -9.761) 10.851 24.734 ( 2.135 1.210 -10.271) 10.560 ======================= Grid point 156 (88/104) ======================= q-point: (-0.17 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 3.187 12.070 6.844) 14.237 2.026 ( 1.626 -4.957 1.212) 5.356 2.306 ( -6.677 14.990 10.670) 19.574 2.499 ( -0.477 0.279 2.222) 2.290 2.634 ( 1.371 -4.495 0.424) 4.718 2.691 ( 2.947 -5.862 -1.436) 6.717 2.872 ( -4.675 5.438 -3.545) 8.000 2.952 ( -2.085 -2.595 -3.428) 4.778 3.094 ( 5.294 7.475 -0.856) 9.199 3.144 ( 2.899 1.579 1.698) 3.712 3.206 ( 3.164 -3.279 1.740) 4.878 3.302 ( 1.345 -9.317 -1.791) 9.582 3.467 ( -2.789 6.204 -0.165) 6.804 3.554 ( -1.251 -1.785 -0.987) 2.393 3.678 ( 3.853 10.443 9.298) 14.504 3.782 ( 0.448 0.527 7.812) 7.842 4.058 ( 4.864 1.383 2.406) 5.599 4.128 ( 3.744 -3.017 3.091) 5.717 4.333 ( -1.506 7.612 2.641) 8.197 4.397 ( 0.365 4.738 -1.976) 5.146 4.623 ( 5.583 2.516 2.604) 6.654 4.683 ( 2.800 -4.102 10.748) 11.840 4.826 ( 1.215 2.950 0.265) 3.202 4.928 ( 1.949 -4.313 1.926) 5.109 5.042 ( -1.557 6.081 4.293) 7.605 5.109 ( -0.089 -0.234 8.244) 8.248 5.216 ( -7.662 9.075 -1.676) 11.994 5.314 ( 2.179 3.776 -4.929) 6.580 5.413 ( 0.656 -3.500 -1.960) 4.065 5.561 ( -6.083 -13.778 -0.853) 15.086 5.739 ( -1.086 7.904 -0.781) 8.017 5.850 ( -2.763 -2.931 -3.210) 5.151 6.299 ( -3.798 1.013 1.652) 4.264 6.335 ( -2.154 -1.033 0.888) 2.549 6.526 ( 0.801 0.870 -1.238) 1.712 6.568 ( -1.025 -2.094 -2.936) 3.749 6.808 ( -0.756 0.045 1.043) 1.289 6.850 ( 2.963 -3.465 1.893) 4.937 6.968 ( -1.837 1.882 -0.815) 2.754 7.049 ( -0.971 -5.213 0.200) 5.307 7.846 ( 2.786 3.682 0.247) 4.624 7.885 ( 2.728 0.769 2.115) 3.537 8.236 ( -1.307 2.774 -4.183) 5.187 8.307 ( -2.308 -0.311 -3.060) 3.845 8.427 ( -1.333 5.405 1.608) 5.795 8.537 ( -4.693 -3.895 -3.446) 7.005 8.598 ( 4.873 -3.431 -0.446) 5.977 8.637 ( 0.666 -5.449 0.968) 5.574 9.275 ( 2.587 1.394 2.312) 3.739 9.311 ( 1.028 -1.573 4.647) 5.013 9.560 ( -0.130 4.310 -5.266) 6.806 9.661 ( -0.635 -4.470 -5.451) 7.078 10.220 ( 0.300 3.704 0.236) 3.724 10.307 ( -0.204 -2.956 -0.020) 2.963 10.537 ( 1.368 0.570 -5.391) 5.591 10.633 ( 0.856 -7.185 -7.090) 10.130 10.890 ( 1.423 0.047 -1.168) 1.841 10.902 ( -1.897 -1.091 -0.345) 2.216 11.043 ( -2.381 -0.639 -0.098) 2.468 11.056 ( -1.409 -1.476 -6.840) 7.138 11.401 ( 6.122 5.687 6.289) 10.458 11.529 ( 5.318 -6.248 7.058) 10.823 12.052 ( 1.044 5.948 2.003) 6.362 12.182 ( -3.091 -6.364 -1.564) 7.246 12.429 ( 6.648 5.178 -4.057) 9.352 12.549 ( 5.753 -6.200 1.461) 8.583 12.730 ( -4.334 3.166 -0.472) 5.388 12.787 ( -2.411 -2.096 -0.728) 3.276 13.360 ( -2.065 -0.485 -0.043) 2.121 13.378 ( -2.476 -1.983 0.042) 3.173 13.732 ( -4.248 0.753 -3.953) 5.851 13.762 ( -4.519 -2.060 -4.880) 6.963 14.696 ( -1.336 7.326 7.898) 10.855 14.819 ( -2.675 -4.168 5.712) 7.560 15.237 ( 2.517 5.740 -6.783) 9.235 15.278 ( 4.197 1.811 -7.844) 9.079 16.035 ( 0.017 4.044 6.110) 7.328 16.122 ( -1.032 -3.818 4.449) 5.953 16.441 ( -0.764 4.217 -3.922) 5.809 16.551 ( -1.057 -5.798 -7.176) 9.286 19.890 ( -0.630 3.533 7.950) 8.722 19.967 ( -0.506 -3.498 7.524) 8.313 20.255 ( 0.695 4.170 -2.993) 5.180 20.353 ( 1.525 -4.895 -4.801) 7.024 21.408 ( -2.716 -0.973 12.022) 12.364 21.445 ( -3.194 -4.650 10.843) 12.223 21.924 ( 0.779 -0.632 3.066) 3.226 21.961 ( 0.150 -4.075 1.826) 4.468 22.622 ( -0.450 4.376 7.693) 8.862 22.692 ( 0.149 -2.007 5.529) 5.883 23.600 ( -1.018 2.557 -0.664) 2.832 23.626 ( -0.579 0.279 -1.313) 1.462 24.076 ( 0.305 2.475 -1.580) 2.952 24.124 ( 0.887 -2.080 -2.682) 3.508 24.716 ( 2.363 4.366 -9.486) 10.706 24.749 ( 2.130 1.133 -10.046) 10.332 ======================= Grid point 175 (89/104) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -0.638 0.000 -10.186) 10.206 1.582 ( 0.638 0.000 10.186) 10.206 2.064 ( -2.259 0.000 -16.926) 17.076 2.064 ( 2.259 0.000 16.926) 17.076 2.606 ( -8.904 0.000 -12.973) 15.735 2.606 ( 8.904 0.000 12.973) 15.735 2.722 ( 4.304 0.000 -4.255) 6.052 2.722 ( -4.304 0.000 4.255) 6.052 2.919 ( 1.830 0.000 -2.972) 3.490 2.919 ( -1.830 0.000 2.972) 3.490 3.260 ( 1.454 0.000 -1.480) 2.075 3.260 ( -1.454 0.000 1.480) 2.075 3.548 ( -3.537 0.000 -0.334) 3.553 3.548 ( 3.537 0.000 0.334) 3.553 3.796 ( 5.581 0.000 -3.753) 6.726 3.796 ( -5.581 0.000 3.753) 6.726 3.998 ( -3.706 0.000 -4.344) 5.711 3.998 ( 3.706 0.000 4.344) 5.711 4.204 ( -12.844 0.000 1.920) 12.986 4.204 ( 12.844 0.000 -1.920) 12.986 4.501 ( 5.213 0.000 -5.215) 7.373 4.501 ( -5.213 0.000 5.215) 7.373 4.746 ( 0.817 0.000 -5.729) 5.787 4.746 ( -0.817 0.000 5.729) 5.787 4.841 ( -8.891 0.000 -0.647) 8.914 4.841 ( 8.891 0.000 0.647) 8.914 5.156 ( -0.979 0.000 -10.011) 10.059 5.156 ( 0.979 0.000 10.011) 10.059 5.528 ( 0.746 0.000 -0.478) 0.886 5.528 ( -0.746 0.000 0.478) 0.886 5.984 ( -1.165 0.000 -3.727) 3.905 5.984 ( 1.165 0.000 3.727) 3.905 6.326 ( 0.679 0.000 -5.933) 5.972 6.326 ( -0.679 0.000 5.933) 5.972 6.620 ( -1.353 0.000 -2.655) 2.980 6.620 ( 1.353 0.000 2.655) 2.980 6.958 ( -3.883 0.000 -0.222) 3.890 6.958 ( 3.883 0.000 0.222) 3.890 7.071 ( -1.720 0.000 -3.959) 4.317 7.071 ( 1.720 0.000 3.959) 4.317 7.621 ( 4.628 0.000 -3.997) 6.115 7.621 ( -4.628 0.000 3.997) 6.115 8.159 ( -4.433 0.000 -2.994) 5.349 8.159 ( 4.433 0.000 2.994) 5.349 8.412 ( -2.906 0.000 -0.536) 2.956 8.412 ( 2.906 0.000 0.536) 2.956 8.848 ( 4.898 0.000 -2.123) 5.339 8.848 ( -4.898 0.000 2.123) 5.339 9.264 ( 2.638 0.000 -3.681) 4.528 9.264 ( -2.638 0.000 3.681) 4.528 9.795 ( 9.240 0.000 -4.817) 10.420 9.795 ( -9.240 0.000 4.817) 10.420 10.424 ( 5.146 0.000 -2.282) 5.629 10.424 ( -5.146 0.000 2.282) 5.629 10.605 ( 5.808 0.000 -3.134) 6.600 10.605 ( -5.808 0.000 3.134) 6.600 10.966 ( 1.581 0.000 -5.067) 5.308 10.966 ( -1.581 0.000 5.067) 5.308 11.086 ( 2.880 0.000 -2.340) 3.711 11.086 ( -2.880 0.000 2.340) 3.711 11.740 ( -8.285 0.000 -6.837) 10.742 11.740 ( 8.285 0.000 6.837) 10.742 11.957 ( -5.600 0.000 -5.254) 7.679 11.957 ( 5.600 0.000 5.254) 7.679 12.440 ( -13.760 0.000 -2.580) 13.999 12.440 ( 13.760 0.000 2.580) 13.999 12.953 ( -11.083 0.000 3.098) 11.507 12.953 ( 11.083 0.000 -3.098) 11.507 13.462 ( -2.399 0.000 -4.418) 5.028 13.462 ( 2.399 0.000 4.418) 5.028 13.752 ( -2.234 0.000 -3.132) 3.847 13.752 ( 2.234 0.000 3.132) 3.847 14.493 ( 0.885 0.000 -3.390) 3.503 14.493 ( -0.885 0.000 3.390) 3.503 14.927 ( -0.975 0.000 -1.721) 1.978 14.927 ( 0.975 0.000 1.721) 1.978 16.119 ( -0.185 0.000 -5.028) 5.031 16.119 ( 0.185 0.000 5.028) 5.031 16.553 ( 1.162 0.000 -10.765) 10.828 16.553 ( -1.162 0.000 10.765) 10.828 19.882 ( -1.647 0.000 -3.870) 4.206 19.882 ( 1.647 0.000 3.870) 4.206 20.392 ( 0.757 0.000 -9.252) 9.283 20.392 ( -0.757 0.000 9.252) 9.283 21.976 ( -0.202 0.000 -7.641) 7.643 21.976 ( 0.202 0.000 7.641) 7.643 22.245 ( 1.479 0.000 -6.677) 6.839 22.245 ( -1.479 0.000 6.677) 6.839 22.573 ( 2.120 0.000 -4.946) 5.381 22.573 ( -2.120 0.000 4.946) 5.381 23.338 ( 1.149 0.000 -1.263) 1.707 23.338 ( -1.149 0.000 1.263) 1.707 24.033 ( 0.770 0.000 -8.373) 8.409 24.033 ( -0.770 0.000 8.373) 8.409 24.375 ( 2.154 0.000 -5.760) 6.149 24.375 ( -2.154 0.000 5.760) 6.149 ======================= Grid point 177 (90/104) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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| 1.620 ( 8.711 0.000 -12.705) 15.405 1.666 ( 6.356 0.000 2.697) 6.905 2.044 ( 4.030 0.000 -12.803) 13.423 2.190 ( 5.980 0.000 12.706) 14.043 2.389 ( -9.505 0.000 -4.585) 10.553 2.645 ( -6.811 0.000 4.702) 8.276 2.667 ( -1.912 0.000 2.845) 3.428 2.825 ( 2.612 0.000 -4.347) 5.071 2.878 ( -1.945 0.000 0.587) 2.032 2.905 ( -1.849 0.000 2.318) 2.965 3.187 ( -6.920 0.000 3.889) 7.938 3.215 ( -6.753 0.000 -0.154) 6.754 3.534 ( 1.948 0.000 -2.972) 3.553 3.632 ( 4.358 0.000 0.480) 4.384 3.726 ( -0.512 0.000 5.076) 5.102 3.835 ( -0.934 0.000 -7.872) 7.927 3.945 ( 0.493 0.000 -4.432) 4.459 3.982 ( -11.019 0.000 5.582) 12.353 4.076 ( 3.006 0.000 5.173) 5.982 4.374 ( -8.822 0.000 8.170) 12.024 4.406 ( 7.408 0.000 0.867) 7.459 4.471 ( -6.894 0.000 -2.263) 7.255 4.684 ( -1.738 0.000 -9.203) 9.366 4.762 ( 1.435 0.000 1.043) 1.774 4.822 ( 4.579 0.000 -1.124) 4.715 4.979 ( 4.336 0.000 -3.745) 5.730 5.138 ( 1.606 0.000 -2.363) 2.857 5.178 ( -2.025 0.000 6.446) 6.757 5.481 ( -3.244 0.000 2.367) 4.015 5.527 ( 0.407 0.000 3.861) 3.882 6.025 ( 4.123 0.000 -3.769) 5.585 6.095 ( 7.607 0.000 1.639) 7.781 6.324 ( 1.421 0.000 -6.468) 6.622 6.350 ( 2.960 0.000 4.779) 5.621 6.605 ( 0.044 0.000 -0.453) 0.455 6.673 ( 3.616 0.000 3.604) 5.105 6.869 ( -5.069 0.000 -1.185) 5.206 6.983 ( -2.127 0.000 2.532) 3.307 7.007 ( -4.037 0.000 -5.210) 6.591 7.103 ( 1.713 0.000 -0.921) 1.945 7.518 ( -6.469 0.000 2.488) 6.931 7.625 ( -3.369 0.000 -2.335) 4.099 8.147 ( 4.491 0.000 -4.251) 6.184 8.270 ( 5.498 0.000 3.866) 6.721 8.395 ( 0.683 0.000 1.864) 1.985 8.505 ( 6.541 0.000 2.843) 7.132 8.746 ( -6.302 0.000 1.544) 6.488 8.894 ( 0.359 0.000 -2.230) 2.259 9.181 ( -5.828 0.000 3.328) 6.712 9.204 ( -8.010 0.000 0.074) 8.010 9.749 ( 3.781 0.000 -1.712) 4.150 9.989 ( 12.036 0.000 -8.030) 14.469 10.312 ( -7.072 0.000 -0.695) 7.106 10.472 ( -3.244 0.000 5.332) 6.241 10.524 ( -0.358 0.000 2.667) 2.691 10.704 ( 5.218 0.000 3.117) 6.078 10.930 ( -3.386 0.000 9.053) 9.665 10.935 ( -3.964 0.000 -0.171) 3.968 11.055 ( -1.263 0.000 2.270) 2.598 11.148 ( 3.795 0.000 -2.284) 4.430 11.616 ( -2.408 0.000 -13.071) 13.291 11.869 ( -3.156 0.000 -0.285) 3.169 11.870 ( 1.756 0.000 1.251) 2.157 11.991 ( -10.447 0.000 -3.000) 10.869 12.272 ( 4.173 0.000 6.544) 7.761 12.634 ( 6.336 0.000 -0.375) 6.347 12.821 ( -1.619 0.000 2.655) 3.110 13.121 ( 7.519 0.000 -6.761) 10.112 13.396 ( -2.967 0.000 -4.609) 5.482 13.492 ( -0.370 0.000 3.595) 3.614 13.755 ( 3.465 0.000 -1.496) 3.774 13.822 ( 3.633 0.000 4.814) 6.032 14.522 ( 2.814 0.000 3.249) 4.298 14.531 ( 3.734 0.000 -3.518) 5.130 14.870 ( -4.215 0.000 -2.992) 5.169 14.910 ( -3.049 0.000 0.738) 3.137 16.099 ( -0.273 0.000 -5.967) 5.973 16.125 ( -0.883 0.000 4.219) 4.311 16.559 ( 2.366 0.000 -10.458) 10.722 16.569 ( -0.255 0.000 10.855) 10.858 19.844 ( -1.180 0.000 -3.240) 3.448 19.908 ( -0.241 0.000 3.837) 3.845 20.403 ( 2.719 0.000 -8.308) 8.742 20.423 ( 0.848 0.000 12.249) 12.278 21.941 ( -1.157 0.000 -8.562) 8.640 21.982 ( -1.652 0.000 7.186) 7.374 22.215 ( -2.939 0.000 4.911) 5.723 22.233 ( -0.706 0.000 -5.598) 5.642 22.579 ( 1.049 0.000 5.436) 5.537 22.618 ( 3.826 0.000 -7.305) 8.246 23.321 ( -0.987 0.000 1.515) 1.809 23.350 ( 0.493 0.000 -2.020) 2.079 24.024 ( 0.716 0.000 -8.586) 8.616 24.036 ( -1.240 0.000 8.315) 8.407 24.345 ( -2.374 0.000 5.387) 5.887 24.386 ( 0.507 0.000 -5.588) 5.611 ======================= Grid point 178 (91/104) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 10.458 0.000 -0.218) 10.460 1.839 ( 17.478 0.000 -10.071) 20.172 2.112 ( 5.272 0.000 -8.048) 9.621 2.198 ( -3.761 0.000 -4.634) 5.968 2.342 ( -3.104 0.000 7.865) 8.455 2.540 ( -2.416 0.000 16.394) 16.571 2.604 ( -7.309 0.000 -4.392) 8.527 2.720 ( -7.775 0.000 -1.209) 7.868 2.871 ( 1.185 0.000 -3.146) 3.361 2.878 ( -3.415 0.000 -0.556) 3.460 3.040 ( -9.933 0.000 6.582) 11.916 3.047 ( -7.867 0.000 -5.227) 9.445 3.581 ( 4.326 0.000 -5.153) 6.728 3.686 ( 1.274 0.000 0.320) 1.313 3.751 ( -2.900 0.000 4.150) 5.063 3.757 ( -4.575 0.000 -2.855) 5.392 3.948 ( 7.650 0.000 12.537) 14.687 3.984 ( 5.456 0.000 -13.225) 14.306 4.122 ( -0.910 0.000 9.867) 9.909 4.253 ( -5.836 0.000 9.095) 10.806 4.316 ( -7.785 0.000 -3.086) 8.375 4.393 ( -6.133 0.000 -6.218) 8.734 4.762 ( 8.608 0.000 1.235) 8.696 4.806 ( 3.518 0.000 -1.205) 3.719 4.889 ( 2.260 0.000 -1.332) 2.624 4.981 ( -1.347 0.000 -6.405) 6.545 5.122 ( -3.615 0.000 0.565) 3.659 5.148 ( -2.244 0.000 2.778) 3.571 5.488 ( 3.324 0.000 3.438) 4.782 5.565 ( 1.335 0.000 4.821) 5.002 6.052 ( 0.136 0.000 -1.763) 1.768 6.138 ( -2.071 0.000 -7.937) 8.203 6.419 ( 9.075 0.000 3.309) 9.660 6.475 ( 8.425 0.000 4.537) 9.569 6.618 ( 1.354 0.000 -0.455) 1.428 6.726 ( -1.741 0.000 -2.603) 3.131 6.794 ( -1.623 0.000 -0.651) 1.749 6.899 ( -7.003 0.000 1.833) 7.239 6.938 ( 0.263 0.000 -1.552) 1.574 7.114 ( -1.255 0.000 -1.112) 1.677 7.430 ( -2.650 0.000 -0.321) 2.670 7.528 ( -5.887 0.000 0.296) 5.895 8.258 ( 7.704 0.000 -6.135) 9.849 8.356 ( 2.235 0.000 5.342) 5.791 8.441 ( 3.484 0.000 3.292) 4.794 8.624 ( -0.351 0.000 -1.327) 1.373 8.652 ( 0.944 0.000 4.844) 4.936 8.849 ( -4.254 0.000 -2.288) 4.830 9.062 ( -5.549 0.000 0.822) 5.610 9.095 ( -4.238 0.000 1.405) 4.465 9.864 ( 8.245 0.000 -3.853) 9.101 10.128 ( -1.432 0.000 0.068) 1.434 10.207 ( 3.073 0.000 -12.419) 12.794 10.383 ( -7.016 0.000 16.077) 17.541 10.586 ( 5.342 0.000 -2.743) 6.005 10.792 ( -0.571 0.000 9.038) 9.056 10.858 ( -0.929 0.000 -1.560) 1.816 10.907 ( -1.607 0.000 10.745) 10.865 11.048 ( -0.002 0.000 -0.485) 0.485 11.166 ( -1.972 0.000 -6.373) 6.671 11.558 ( -1.235 0.000 -9.251) 9.333 11.659 ( -12.214 0.000 -8.677) 14.982 11.850 ( 1.107 0.000 -0.834) 1.386 11.921 ( -1.635 0.000 4.983) 5.244 12.413 ( 5.524 0.000 6.792) 8.754 12.648 ( -3.744 0.000 -4.000) 5.479 12.940 ( 10.966 0.000 8.222) 13.707 13.207 ( 3.808 0.000 -8.071) 8.925 13.346 ( -0.669 0.000 -3.897) 3.954 13.465 ( -3.373 0.000 2.814) 4.393 13.842 ( 5.346 0.000 -2.080) 5.737 13.892 ( 2.173 0.000 4.925) 5.383 14.591 ( 3.036 0.000 4.148) 5.140 14.592 ( 3.524 0.000 -3.547) 5.000 14.782 ( -3.464 0.000 -4.152) 5.408 14.832 ( -5.070 0.000 0.868) 5.144 16.085 ( 0.550 0.000 -6.112) 6.137 16.110 ( -1.792 0.000 4.405) 4.755 16.581 ( 2.638 0.000 -10.255) 10.588 16.591 ( -0.594 0.000 10.631) 10.648 19.832 ( 0.782 0.000 -2.833) 2.939 19.892 ( -2.224 0.000 3.279) 3.961 20.441 ( 3.606 0.000 -9.761) 10.406 20.466 ( -0.258 0.000 14.111) 14.114 21.906 ( 0.364 0.000 -9.349) 9.356 21.954 ( -3.225 0.000 7.459) 8.126 22.184 ( -1.326 0.000 3.215) 3.478 22.204 ( -0.967 0.000 -4.071) 4.184 22.622 ( 1.435 0.000 7.526) 7.661 22.657 ( 2.397 0.000 -9.053) 9.365 23.315 ( -0.134 0.000 2.551) 2.555 23.345 ( -0.333 0.000 -3.040) 3.058 24.018 ( 1.058 0.000 -8.757) 8.821 24.030 ( -1.743 0.000 8.516) 8.693 24.327 ( -0.803 0.000 4.916) 4.981 24.368 ( -0.781 0.000 -5.092) 5.151 ======================= Grid point 179 (92/104) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( -4.264 0.000 -6.337) 7.638 1.998 ( 4.264 0.000 6.337) 7.638 2.200 ( 7.735 0.000 -6.955) 10.402 2.200 ( -7.735 0.000 6.955) 10.402 2.302 ( -18.131 0.000 -0.274) 18.134 2.302 ( 18.131 0.000 0.274) 18.134 2.642 ( -3.788 0.000 -14.895) 15.369 2.642 ( 3.788 0.000 14.895) 15.369 2.853 ( -2.584 0.000 -3.297) 4.189 2.853 ( 2.584 0.000 3.297) 4.189 2.950 ( -0.783 0.000 -7.561) 7.601 2.950 ( 0.783 0.000 7.561) 7.601 3.658 ( 5.206 0.000 -5.892) 7.863 3.658 ( -5.206 0.000 5.892) 7.863 3.712 ( 1.646 0.000 -5.997) 6.219 3.712 ( -1.646 0.000 5.997) 6.219 4.066 ( 7.080 0.000 -15.638) 17.166 4.066 ( -7.080 0.000 15.638) 17.166 4.163 ( -9.072 0.000 -10.790) 14.097 4.163 ( 9.072 0.000 10.790) 14.097 4.256 ( -4.342 0.000 -4.523) 6.270 4.256 ( 4.342 0.000 4.523) 6.270 4.873 ( 3.238 0.000 -1.362) 3.512 4.873 ( -3.238 0.000 1.362) 3.512 4.908 ( -5.314 0.000 -3.955) 6.624 4.908 ( 5.314 0.000 3.955) 6.624 5.102 ( 1.989 0.000 -2.194) 2.962 5.102 ( -1.989 0.000 2.194) 2.962 5.562 ( -2.657 0.000 -0.697) 2.747 5.562 ( 2.657 0.000 0.697) 2.747 6.069 ( -2.039 0.000 -5.266) 5.647 6.069 ( 2.039 0.000 5.266) 5.647 6.595 ( -5.709 0.000 -4.852) 7.492 6.595 ( 5.709 0.000 4.852) 7.492 6.620 ( -0.569 0.000 -1.897) 1.980 6.620 ( 0.569 0.000 1.897) 1.980 6.789 ( 3.152 0.000 -1.599) 3.534 6.789 ( -3.152 0.000 1.599) 3.534 7.031 ( -6.811 0.000 -1.100) 6.900 7.031 ( 6.811 0.000 1.100) 6.900 7.439 ( 3.549 0.000 -1.483) 3.846 7.439 ( -3.549 0.000 1.483) 3.846 8.357 ( 4.028 0.000 -6.566) 7.704 8.357 ( -4.028 0.000 6.566) 7.704 8.530 ( -5.083 0.000 -3.086) 5.947 8.530 ( 5.083 0.000 3.086) 5.947 8.752 ( -5.078 0.000 -3.593) 6.221 8.752 ( 5.078 0.000 3.593) 6.221 9.036 ( -1.944 0.000 0.211) 1.955 9.036 ( 1.944 0.000 -0.211) 1.955 10.007 ( -8.114 0.000 2.515) 8.495 10.007 ( 8.114 0.000 -2.515) 8.495 10.300 ( 7.147 0.000 -15.872) 17.407 10.300 ( -7.147 0.000 15.872) 17.407 10.698 ( 7.589 0.000 -4.865) 9.015 10.698 ( -7.589 0.000 4.865) 9.015 10.906 ( 2.349 0.000 -5.018) 5.540 10.906 ( -2.349 0.000 5.018) 5.540 11.072 ( -3.513 0.000 -5.027) 6.133 11.072 ( 3.513 0.000 5.027) 6.133 11.539 ( -1.283 0.000 0.131) 1.290 11.539 ( 1.283 0.000 -0.131) 1.290 11.886 ( 3.020 0.000 -4.147) 5.130 11.886 ( -3.020 0.000 4.147) 5.130 12.531 ( -6.276 0.000 -5.426) 8.296 12.531 ( 6.276 0.000 5.426) 8.296 13.148 ( -7.285 0.000 -10.402) 12.699 13.148 ( 7.285 0.000 10.402) 12.699 13.391 ( 4.988 0.000 -2.221) 5.460 13.391 ( -4.988 0.000 2.221) 5.460 13.907 ( 2.018 0.000 -3.624) 4.148 13.907 ( -2.018 0.000 3.624) 4.148 14.626 ( 0.886 0.000 -4.760) 4.842 14.626 ( -0.886 0.000 4.760) 4.842 14.759 ( 2.507 0.000 -3.430) 4.248 14.759 ( -2.507 0.000 3.430) 4.248 16.090 ( 1.548 0.000 -5.358) 5.577 16.090 ( -1.548 0.000 5.358) 5.577 16.596 ( 1.771 0.000 -10.340) 10.490 16.596 ( -1.771 0.000 10.340) 10.490 19.855 ( 2.348 0.000 -2.887) 3.722 19.855 ( -2.348 0.000 2.887) 3.722 20.473 ( 2.701 0.000 -12.554) 12.841 20.473 ( -2.701 0.000 12.554) 12.841 21.915 ( 2.894 0.000 -8.626) 9.099 21.915 ( -2.894 0.000 8.626) 9.099 22.183 ( -0.231 0.000 -3.202) 3.210 22.183 ( 0.231 0.000 3.202) 3.210 22.657 ( 0.146 0.000 -8.991) 8.992 22.657 ( -0.146 0.000 8.991) 8.992 23.327 ( -0.528 0.000 -3.316) 3.357 23.327 ( 0.528 0.000 3.316) 3.357 24.020 ( 1.592 0.000 -8.744) 8.888 24.020 ( -1.592 0.000 8.744) 8.888 24.340 ( -0.680 0.000 -4.789) 4.837 24.340 ( 0.680 0.000 4.789) 4.837 ======================= Grid point 183 (93/104) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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| 1.654 ( -1.850 6.561 -9.446) 11.649 1.654 ( 1.850 6.561 9.446) 11.649 2.089 ( -1.276 3.575 -18.051) 18.446 2.089 ( 1.276 3.575 18.051) 18.446 2.674 ( 2.092 4.185 -2.685) 5.394 2.674 ( -2.092 4.185 2.685) 5.394 2.869 ( -6.772 6.296 -0.075) 9.247 2.869 ( 6.772 6.296 0.075) 9.247 2.925 ( -4.538 7.110 -8.018) 11.638 2.925 ( 4.538 7.110 8.018) 11.638 3.248 ( 3.179 -0.985 -4.894) 5.918 3.248 ( -3.179 -0.985 4.894) 5.918 3.518 ( -2.294 -3.016 -1.684) 4.147 3.518 ( 2.294 -3.016 1.684) 4.147 3.791 ( 3.528 -0.022 -4.768) 5.931 3.791 ( -3.528 -0.022 4.768) 5.931 3.981 ( 1.066 0.392 -7.184) 7.274 3.981 ( -1.066 0.392 7.184) 7.274 4.256 ( -2.747 2.017 -2.414) 4.177 4.256 ( 2.747 2.017 2.414) 4.177 4.540 ( -2.025 5.440 -5.022) 7.676 4.540 ( 2.025 5.440 5.022) 7.676 4.762 ( -0.744 1.432 -5.323) 5.562 4.762 ( 0.744 1.432 5.323) 5.562 4.948 ( -11.406 8.539 -0.800) 14.271 4.948 ( 11.406 8.539 0.800) 14.271 5.133 ( -1.282 -1.407 -8.101) 8.322 5.133 ( 1.282 -1.407 8.101) 8.322 5.518 ( -0.886 -1.177 -2.788) 3.153 5.518 ( 0.886 -1.177 2.788) 3.153 5.947 ( -0.851 -3.562 -3.945) 5.383 5.947 ( 0.851 -3.562 3.945) 5.383 6.305 ( -1.351 -1.647 -5.052) 5.482 6.305 ( 1.351 -1.647 5.052) 5.482 6.596 ( 0.311 -1.815 -1.361) 2.290 6.596 ( -0.311 -1.815 1.361) 2.290 6.916 ( -4.264 -2.867 -0.284) 5.146 6.916 ( 4.264 -2.867 0.284) 5.146 7.112 ( -1.526 1.499 -4.009) 4.544 7.112 ( 1.526 1.499 4.009) 4.544 7.677 ( 3.678 5.360 -3.948) 7.606 7.677 ( -3.678 5.360 3.948) 7.606 8.159 ( -3.183 0.274 -2.814) 4.257 8.159 ( 3.183 0.274 2.814) 4.257 8.400 ( -1.518 -1.029 -2.924) 3.451 8.400 ( 1.518 -1.029 2.924) 3.451 8.844 ( 2.834 -0.976 -2.350) 3.808 8.844 ( -2.834 -0.976 2.350) 3.808 9.273 ( 2.011 0.995 -2.640) 3.465 9.273 ( -2.011 0.995 2.640) 3.465 9.744 ( 5.408 -4.451 -5.312) 8.791 9.744 ( -5.408 -4.451 5.312) 8.791 10.368 ( 2.439 -4.128 -3.971) 6.226 10.368 ( -2.439 -4.128 3.971) 6.226 10.605 ( -1.355 -0.560 -1.352) 1.995 10.605 ( 1.355 -0.560 1.352) 1.995 10.947 ( 1.582 -1.633 -4.550) 5.087 10.947 ( -1.582 -1.633 4.550) 5.087 11.068 ( 4.323 -1.750 -2.394) 5.242 11.068 ( -4.323 -1.750 2.394) 5.242 11.755 ( -10.843 1.103 -7.857) 13.436 11.755 ( 10.843 1.104 7.857) 13.436 11.976 ( -5.968 1.181 -6.980) 9.259 11.976 ( 5.968 1.181 6.980) 9.259 12.428 ( -11.838 -0.743 -2.526) 12.127 12.428 ( 11.838 -0.743 2.526) 12.127 12.897 ( -6.741 -3.778 1.229) 7.825 12.897 ( 6.741 -3.778 -1.229) 7.825 13.461 ( -1.949 -1.173 -2.345) 3.267 13.461 ( 1.949 -1.173 2.345) 3.267 13.715 ( -1.674 -2.745 -2.901) 4.331 13.715 ( 1.674 -2.745 2.901) 4.331 14.566 ( -1.681 6.190 -6.733) 9.299 14.566 ( 1.681 6.190 6.733) 9.299 14.984 ( 1.923 5.065 -4.915) 7.315 14.984 ( -1.923 5.065 4.915) 7.315 16.118 ( -0.372 -0.022 -5.253) 5.266 16.118 ( 0.372 -0.022 5.253) 5.266 16.535 ( 1.358 -1.755 -10.373) 10.608 16.535 ( -1.358 -1.755 10.373) 10.608 19.900 ( -1.336 1.684 -4.182) 4.703 19.900 ( 1.336 1.684 4.182) 4.703 20.379 ( 0.775 -1.344 -8.918) 9.052 20.379 ( -0.775 -1.344 8.918) 9.052 21.844 ( 0.438 -9.830 -6.772) 11.945 21.844 ( -0.438 -9.830 6.772) 11.945 22.222 ( -1.470 -4.578 -1.054) 4.922 22.222 ( 1.470 -4.578 1.054) 4.922 22.580 ( 1.049 2.566 -3.917) 4.798 22.580 ( -1.049 2.566 3.917) 4.798 23.416 ( -0.748 5.762 -0.527) 5.834 23.416 ( 0.748 5.762 0.527) 5.834 24.045 ( 0.856 1.019 -7.615) 7.730 24.045 ( -0.856 1.019 7.615) 7.730 24.433 ( 0.791 5.027 -4.742) 6.956 24.433 ( -0.791 5.027 4.742) 6.956 ======================= Grid point 185 (94/104) ======================= q-point: ( 0.17 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 4.298 3.909 -11.223) 12.638 1.770 ( 8.252 7.473 2.938) 11.514 2.070 ( 3.146 4.557 -12.984) 14.116 2.207 ( 6.060 1.640 17.641) 18.725 2.594 ( -7.363 13.045 -0.362) 14.984 2.650 ( -3.121 5.334 -5.022) 7.963 2.706 ( -10.713 -1.256 2.426) 11.056 2.822 ( -0.978 2.906 -2.859) 4.192 2.932 ( -0.652 3.296 -4.646) 5.733 3.011 ( -0.122 7.972 6.297) 10.160 3.159 ( -7.214 0.019 5.611) 9.139 3.239 ( -3.490 0.962 -1.113) 3.787 3.514 ( 2.467 -3.450 -4.361) 6.084 3.583 ( 2.769 -2.142 2.357) 4.221 3.772 ( 0.134 -2.989 -0.302) 3.007 3.841 ( 3.304 5.809 0.891) 6.742 3.944 ( -0.366 2.181 0.440) 2.255 4.034 ( 1.548 -1.452 4.400) 4.885 4.082 ( -8.686 5.466 -0.321) 10.268 4.301 ( -2.315 -0.132 2.690) 3.551 4.451 ( -7.273 -0.758 -4.257) 8.461 4.616 ( 2.870 11.600 3.476) 12.445 4.727 ( -3.241 3.547 -9.460) 10.610 4.783 ( 0.132 -1.231 1.875) 2.246 4.804 ( 1.340 4.195 0.899) 4.494 5.092 ( 0.812 4.367 -5.127) 6.783 5.123 ( 4.310 0.686 1.338) 4.565 5.180 ( 1.471 2.439 4.927) 5.691 5.493 ( -2.240 0.368 1.534) 2.740 5.502 ( -1.012 -1.429 1.561) 2.346 5.973 ( 4.367 -4.926 -3.148) 7.297 6.049 ( 6.158 -4.479 1.318) 7.728 6.275 ( 0.773 -2.142 -2.401) 3.309 6.372 ( 4.561 -0.011 1.438) 4.782 6.595 ( -0.069 -0.630 1.955) 2.055 6.627 ( 3.007 -3.333 1.497) 4.732 6.833 ( -4.275 -2.963 -0.282) 5.209 6.975 ( 0.630 -2.104 -2.239) 3.137 7.009 ( -5.013 0.955 0.849) 5.174 7.157 ( 0.547 2.756 -2.022) 3.462 7.585 ( -6.079 6.156 2.705) 9.065 7.665 ( -3.935 3.924 -2.609) 6.139 8.168 ( 5.060 1.969 -3.645) 6.540 8.247 ( 4.410 -1.488 3.224) 5.661 8.389 ( 1.194 -0.723 0.778) 1.598 8.491 ( 6.356 -1.208 4.032) 7.623 8.742 ( -6.398 -0.854 2.059) 6.776 8.880 ( -0.439 -1.793 -2.121) 2.811 9.201 ( -5.861 1.564 2.568) 6.587 9.226 ( -5.676 2.363 -0.204) 6.152 9.718 ( 3.823 -2.962 -0.830) 4.907 9.907 ( 10.570 -7.196 -7.459) 14.804 10.247 ( -6.834 -4.631 2.300) 8.570 10.456 ( 2.557 -2.221 -2.365) 4.130 10.525 ( -4.526 0.255 4.020) 6.059 10.687 ( 4.377 -1.803 3.994) 6.194 10.895 ( -5.262 -2.818 3.819) 7.086 10.919 ( -2.380 -1.153 6.648) 7.155 11.034 ( 1.500 -2.038 -1.556) 2.971 11.188 ( 4.438 3.018 -0.609) 5.401 11.540 ( -6.944 -5.524 -14.233) 16.772 11.839 ( -5.222 -1.904 -3.652) 6.651 11.898 ( -1.195 2.005 0.903) 2.503 12.073 ( -4.715 5.586 2.743) 7.807 12.272 ( 3.231 -0.710 5.435) 6.362 12.609 ( 7.701 -0.816 1.363) 7.863 12.818 ( -1.286 -0.743 0.023) 1.485 12.998 ( 4.470 -8.826 -4.358) 10.811 13.399 ( -2.706 -0.209 -0.824) 2.836 13.506 ( 1.521 -0.711 -0.186) 1.689 13.727 ( 3.596 -2.074 -0.760) 4.221 13.785 ( 3.944 -2.636 4.227) 6.354 14.549 ( 1.629 4.761 -6.484) 8.207 14.647 ( 4.818 7.383 5.999) 10.663 14.902 ( -6.154 3.956 1.958) 7.573 15.000 ( -0.376 6.739 -4.526) 8.127 16.087 ( -1.062 -0.591 -4.944) 5.091 16.124 ( -1.169 -0.215 4.108) 4.277 16.537 ( 1.114 -1.838 -0.513) 2.210 16.562 ( 1.687 -1.085 0.517) 2.071 19.867 ( -0.818 2.186 -3.598) 4.289 19.925 ( -0.050 1.597 4.095) 4.396 20.363 ( 0.180 -2.654 -0.422) 2.693 20.418 ( 1.586 -1.629 2.987) 3.754 21.803 ( -1.566 -9.668 -2.000) 9.996 21.871 ( 0.504 -8.361 0.056) 8.376 22.197 ( -0.760 -2.819 -0.609) 2.982 22.248 ( 0.786 -5.155 0.703) 5.262 22.546 ( -1.545 2.377 1.288) 3.114 22.606 ( 0.934 0.279 -2.027) 2.249 23.401 ( -0.316 6.038 0.644) 6.081 23.439 ( 1.089 6.287 -0.352) 6.390 24.037 ( 0.098 1.026 -4.343) 4.463 24.047 ( -0.730 0.973 3.990) 4.171 24.403 ( -1.683 5.170 0.482) 5.459 24.442 ( -0.156 4.875 -1.122) 5.005 ======================= Grid point 186 (95/104) ======================= q-point: ( 0.33 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 12.349 -0.183 -10.946) 16.503 1.949 ( 9.636 5.572 2.047) 11.318 2.103 ( 2.134 4.239 -8.238) 9.507 2.312 ( -8.081 -1.587 8.816) 12.064 2.452 ( 0.241 8.047 6.850) 10.570 2.547 ( -2.561 10.377 3.151) 11.143 2.630 ( 0.750 2.177 -5.507) 5.969 2.801 ( -5.447 5.695 -3.941) 8.811 2.866 ( -1.581 -1.197 -1.923) 2.762 2.956 ( -6.890 6.312 5.597) 10.892 3.027 ( -6.298 3.030 0.825) 7.038 3.132 ( -7.272 4.163 -0.299) 8.385 3.572 ( 4.647 -4.791 -3.344) 7.465 3.629 ( 2.084 -1.051 1.461) 2.754 3.719 ( -3.309 -2.836 -3.864) 5.824 3.845 ( -7.564 5.194 -0.294) 9.180 3.995 ( 7.239 3.305 6.292) 10.144 4.046 ( 5.722 5.869 -8.408) 11.742 4.082 ( 0.766 -2.073 9.572) 9.824 4.233 ( -6.196 3.048 7.359) 10.091 4.312 ( -4.098 -0.884 -2.649) 4.959 4.523 ( -7.753 6.893 -4.988) 11.511 4.800 ( 6.271 4.104 1.051) 7.568 4.811 ( 1.527 -2.348 -0.071) 2.802 4.838 ( 2.595 2.724 -1.087) 3.916 5.049 ( -3.686 2.445 -4.516) 6.321 5.169 ( 0.503 2.701 2.657) 3.822 5.207 ( -0.020 7.135 0.836) 7.183 5.468 ( 0.709 -1.090 3.948) 4.156 5.523 ( 1.137 -3.638 0.147) 3.815 6.016 ( 1.227 -3.613 -3.257) 5.017 6.091 ( -1.533 -4.458 -3.463) 5.849 6.362 ( 7.836 -2.921 3.106) 8.921 6.491 ( 7.363 -1.902 0.289) 7.610 6.602 ( 0.607 1.051 1.756) 2.135 6.703 ( 3.324 -3.601 2.057) 5.315 6.773 ( -2.011 -1.875 0.308) 2.766 6.862 ( -6.767 0.270 -3.731) 7.732 7.006 ( -0.052 1.730 2.127) 2.742 7.126 ( -2.853 1.255 -2.936) 4.282 7.500 ( -3.084 6.256 0.768) 7.017 7.567 ( -5.281 3.881 -0.558) 6.578 8.278 ( 6.811 1.846 -5.004) 8.651 8.324 ( 2.879 -2.130 3.939) 5.323 8.438 ( 3.377 -1.047 2.654) 4.421 8.606 ( 0.623 -1.749 0.535) 1.932 8.649 ( -0.498 -0.600 4.570) 4.636 8.825 ( -4.249 -2.228 -2.621) 5.467 9.092 ( -4.775 2.517 2.691) 6.031 9.138 ( -3.981 4.055 -1.003) 5.771 9.831 ( 7.983 -3.503 -2.616) 9.102 10.041 ( 2.763 -8.387 -3.076) 9.351 10.163 ( 0.457 -2.711 -4.589) 5.350 10.379 ( -8.380 0.025 9.601) 12.744 10.552 ( 4.862 -2.788 -3.654) 6.690 10.746 ( -2.584 -4.157 8.519) 9.825 10.837 ( 0.704 -1.741 0.133) 1.883 10.917 ( -0.345 0.400 10.013) 10.027 11.052 ( 0.466 0.050 -2.292) 2.339 11.155 ( -5.865 -0.519 -7.034) 9.173 11.485 ( 2.905 -4.773 -8.420) 10.105 11.666 ( -9.451 -0.314 -6.321) 11.374 11.864 ( -0.067 1.793 -1.220) 2.170 11.979 ( -4.753 4.189 4.538) 7.792 12.405 ( 5.979 -1.124 6.734) 9.075 12.664 ( -3.837 1.335 -4.361) 5.960 12.882 ( 8.506 -4.814 5.775) 11.352 13.060 ( 2.982 -10.457 -4.398) 11.729 13.377 ( 0.902 1.945 0.606) 2.228 13.505 ( -1.714 0.737 -1.672) 2.506 13.808 ( 4.603 -2.203 -0.935) 5.188 13.857 ( 2.187 -2.516 4.011) 5.216 14.585 ( 3.882 3.826 -6.091) 8.174 14.739 ( 0.077 7.615 5.085) 9.157 14.802 ( -1.752 4.401 3.452) 5.861 14.955 ( -2.775 8.349 -5.711) 10.489 16.064 ( 0.162 -1.278 -5.100) 5.260 16.100 ( -2.382 -0.926 4.232) 4.944 16.565 ( 1.801 -1.261 -0.304) 2.220 16.588 ( 0.837 -0.640 0.333) 1.105 19.859 ( 0.930 2.470 -3.273) 4.205 19.915 ( -1.985 2.029 3.618) 4.599 20.383 ( 1.995 -4.136 -0.259) 4.599 20.439 ( -0.285 -3.215 3.014) 4.416 21.790 ( 0.889 -7.977 -2.312) 8.352 21.860 ( -1.689 -6.939 0.320) 7.149 22.195 ( 0.591 -1.590 0.033) 1.696 22.245 ( -1.110 -3.027 -0.118) 3.227 22.542 ( 0.744 -0.956 1.497) 1.926 22.602 ( -0.807 -2.159 -2.111) 3.126 23.410 ( 0.786 6.849 1.897) 7.150 23.448 ( 0.024 7.081 -1.574) 7.253 24.029 ( 0.320 0.992 -4.058) 4.190 24.039 ( -1.108 0.945 3.639) 3.919 24.385 ( -0.242 5.106 0.358) 5.124 24.424 ( -1.369 4.831 -0.915) 5.104 ======================= Grid point 187 (96/104) ======================= q-point: (-0.50 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( -7.580 -1.374 1.776) 7.906 2.015 ( 7.580 -1.374 -1.776) 7.906 2.096 ( -6.016 1.888 -1.901) 6.585 2.096 ( 6.016 1.888 1.901) 6.585 2.581 ( -3.783 13.121 -4.989) 14.539 2.581 ( 3.783 13.121 4.989) 14.539 2.634 ( -5.325 2.428 -10.271) 11.822 2.634 ( 5.325 2.428 10.271) 11.822 2.861 ( 1.815 2.162 -7.148) 7.685 2.861 ( -1.815 2.162 7.148) 7.685 3.014 ( 0.056 4.717 -7.816) 9.129 3.014 ( -0.056 4.717 7.816) 9.129 3.636 ( 2.127 -6.893 -4.547) 8.527 3.636 ( -2.127 -6.893 4.547) 8.527 3.721 ( 3.064 4.938 -6.392) 8.639 3.721 ( -3.064 4.938 6.392) 8.639 4.101 ( 2.623 0.602 -11.965) 12.264 4.101 ( -2.623 0.602 11.965) 12.264 4.121 ( 4.944 1.618 -1.952) 5.556 4.121 ( -4.944 1.618 1.952) 5.556 4.363 ( -7.353 5.906 -4.644) 10.512 4.363 ( 7.353 5.906 4.644) 10.512 4.831 ( 0.575 -0.233 -1.632) 1.746 4.831 ( -0.575 -0.233 1.632) 1.746 4.945 ( -6.048 2.047 -3.992) 7.531 4.945 ( 6.049 2.047 3.992) 7.531 5.189 ( 0.140 6.941 -2.572) 7.404 5.189 ( -0.140 6.941 2.572) 7.404 5.513 ( -1.725 -3.959 -2.802) 5.148 5.513 ( 1.725 -3.959 2.802) 5.148 6.038 ( -1.893 -3.054 -1.931) 4.080 6.038 ( 1.893 -3.054 1.931) 4.080 6.506 ( -5.011 -4.630 -4.032) 7.925 6.506 ( 5.011 -4.630 4.032) 7.925 6.683 ( -5.197 0.610 -0.784) 5.291 6.683 ( 5.197 0.610 0.784) 5.291 6.770 ( -1.549 0.366 -2.133) 2.661 6.770 ( 1.549 0.366 2.133) 2.661 7.049 ( -3.816 0.700 -2.404) 4.564 7.049 ( 3.816 0.700 2.404) 4.564 7.493 ( -0.984 5.106 -0.725) 5.250 7.493 ( 0.984 5.106 0.725) 5.250 8.351 ( 1.866 -0.317 -5.470) 5.789 8.351 ( -1.866 -0.317 5.470) 5.789 8.521 ( -3.728 -1.428 -4.171) 5.774 8.521 ( 3.728 -1.428 4.171) 5.774 8.735 ( -4.202 -1.582 -4.838) 6.600 8.735 ( 4.202 -1.582 4.838) 6.600 9.075 ( -1.862 3.626 -1.948) 4.517 9.075 ( 1.862 3.626 1.948) 4.517 9.969 ( -6.815 -4.598 1.838) 8.424 9.969 ( 6.815 -4.598 -1.838) 8.424 10.252 ( 7.278 -2.720 -12.786) 14.962 10.252 ( -7.278 -2.720 12.786) 14.962 10.653 ( 5.509 -3.773 -6.124) 9.060 10.653 ( -5.509 -3.773 6.124) 9.060 10.901 ( 0.200 -0.816 -2.288) 2.437 10.901 ( -0.200 -0.816 2.288) 2.437 11.058 ( -1.616 -0.879 -3.586) 4.031 11.058 ( 1.616 -0.879 3.586) 4.031 11.538 ( -3.788 -0.225 -0.825) 3.883 11.538 ( 3.788 -0.225 0.825) 3.883 11.903 ( 2.616 1.740 -5.418) 6.263 11.903 ( -2.616 1.740 5.418) 6.263 12.536 ( -6.905 -0.119 -5.994) 9.145 12.536 ( 6.905 -0.119 5.994) 9.145 13.035 ( -4.663 -8.322 -5.886) 11.209 13.035 ( 4.663 -8.322 5.886) 11.209 13.438 ( -4.343 2.260 -2.329) 5.421 13.438 ( 4.343 2.260 2.329) 5.421 13.868 ( 1.632 -2.651 -2.643) 4.084 13.868 ( -1.632 -2.651 2.643) 4.084 14.658 ( 3.372 4.050 -6.501) 8.368 14.658 ( -3.372 4.050 6.501) 8.368 14.877 ( -3.662 8.581 -6.706) 11.490 14.877 ( 3.662 8.581 6.706) 11.490 16.071 ( 1.714 -1.421 -6.266) 6.650 16.071 ( -1.714 -1.421 6.266) 6.650 16.590 ( 1.437 -0.733 -10.365) 10.490 16.590 ( -1.437 -0.733 10.365) 10.490 19.882 ( 2.281 2.391 -3.295) 4.667 19.882 ( -2.281 2.391 3.295) 4.667 20.422 ( 1.691 -4.393 -11.093) 12.050 20.422 ( -1.691 -4.393 11.093) 12.050 21.820 ( 1.175 -6.720 -7.155) 9.886 21.820 ( -1.175 -6.720 7.155) 9.886 22.217 ( -1.601 -1.419 -0.443) 2.185 22.217 ( 1.601 -1.419 0.443) 2.185 22.572 ( -1.154 -3.013 -2.763) 4.248 22.572 ( 1.154 -3.013 2.763) 4.248 23.433 ( -0.938 7.365 -2.375) 7.795 23.433 ( 0.938 7.365 2.375) 7.795 24.030 ( 1.199 0.953 -7.542) 7.696 24.030 ( -1.199 0.953 7.542) 7.696 24.397 ( 0.144 4.921 -3.635) 6.119 24.397 ( -0.144 4.921 3.635) 6.119 ======================= Grid point 191 (97/104) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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| 1.833 ( -3.503 9.554 -7.158) 12.442 1.833 ( 3.503 9.554 7.158) 12.442 2.227 ( 1.868 8.952 -15.955) 18.390 2.227 ( -1.868 8.952 15.955) 18.390 2.727 ( -3.115 -1.015 -2.820) 4.323 2.727 ( 3.115 -1.015 2.820) 4.323 2.867 ( 0.084 0.386 -1.515) 1.566 2.867 ( -0.084 0.386 1.515) 1.566 3.155 ( -6.386 2.042 -2.240) 7.069 3.155 ( 6.386 2.042 2.240) 7.069 3.263 ( 1.685 5.163 -4.156) 6.839 3.263 ( -1.685 5.163 4.156) 6.839 3.443 ( -0.343 -2.536 -4.620) 5.281 3.443 ( 0.343 -2.536 4.620) 5.281 3.838 ( -2.993 5.056 -5.434) 8.003 3.838 ( 2.993 5.056 5.434) 8.003 4.041 ( 1.637 4.765 -4.613) 6.831 4.041 ( -1.637 4.765 4.613) 6.831 4.274 ( -3.616 1.366 -2.647) 4.685 4.274 ( 3.616 1.366 2.647) 4.685 4.702 ( -7.882 7.147 -2.836) 11.012 4.702 ( 7.882 7.147 2.836) 11.012 4.808 ( -1.143 3.790 -5.657) 6.905 4.808 ( 1.143 3.790 5.657) 6.905 5.106 ( 0.069 2.970 -3.345) 4.474 5.106 ( -0.069 2.970 3.345) 4.474 5.155 ( -11.212 5.815 -0.073) 12.630 5.155 ( 11.212 5.815 0.073) 12.630 5.476 ( -3.134 -2.849 -3.119) 5.259 5.476 ( 3.134 -2.849 3.119) 5.259 5.832 ( 0.393 -6.816 -4.236) 8.035 5.832 ( -0.393 -6.816 4.236) 8.035 6.283 ( -2.218 0.073 -1.064) 2.461 6.283 ( 2.218 0.073 1.064) 2.461 6.559 ( -1.813 -1.717 -1.929) 3.156 6.559 ( 1.813 -1.717 1.929) 3.156 6.861 ( -4.334 -1.788 -0.382) 4.703 6.861 ( 4.334 -1.788 0.382) 4.703 7.084 ( -2.135 -4.057 -3.281) 5.638 7.084 ( 2.135 -4.057 3.281) 5.638 7.825 ( -0.114 7.645 -2.731) 8.118 7.825 ( 0.114 7.645 2.731) 8.118 8.169 ( -2.881 -0.110 -0.757) 2.981 8.169 ( 2.881 -0.110 0.757) 2.981 8.386 ( -1.382 0.635 -2.577) 2.992 8.386 ( 1.382 0.635 2.577) 2.992 8.783 ( 3.410 -4.890 -2.784) 6.580 8.783 ( -3.410 -4.890 2.784) 6.580 9.313 ( -0.898 2.831 -0.155) 2.974 9.313 ( 0.898 2.831 0.155) 2.974 9.631 ( 1.522 -5.753 -6.505) 8.816 9.631 ( -1.522 -5.753 6.505) 8.816 10.293 ( 1.210 -2.460 -4.863) 5.583 10.293 ( -1.210 -2.460 4.863) 5.583 10.571 ( -2.119 -2.531 -2.617) 4.213 10.571 ( 2.119 -2.531 2.617) 4.213 10.913 ( 2.033 -1.229 -4.498) 5.086 10.913 ( -2.033 -1.229 4.498) 5.086 11.013 ( 5.336 -3.373 -3.413) 7.176 11.013 ( -5.336 -3.373 3.413) 7.176 11.775 ( -10.666 0.697 -7.854) 13.264 11.775 ( 10.666 0.697 7.854) 13.264 11.976 ( -3.531 -1.414 -6.800) 7.791 11.976 ( 3.531 -1.414 6.800) 7.791 12.438 ( -9.954 2.058 -1.609) 10.291 12.438 ( 9.954 2.058 1.609) 10.291 12.836 ( -0.468 -2.093 -1.044) 2.386 12.836 ( 0.468 -2.093 1.044) 2.386 13.404 ( -1.321 -3.390 -0.444) 3.666 13.404 ( 1.321 -3.390 0.444) 3.666 13.661 ( -1.298 -2.208 -1.696) 3.072 13.661 ( 1.298 -2.208 1.696) 3.072 14.709 ( -1.955 6.391 -7.132) 9.775 14.709 ( 1.955 6.391 7.132) 9.775 15.115 ( 2.619 6.659 -5.675) 9.133 15.115 ( -2.619 6.659 5.675) 9.133 16.122 ( -0.215 0.536 -5.181) 5.213 16.122 ( 0.215 0.536 5.181) 5.213 16.481 ( 1.583 -3.241 -8.666) 9.387 16.481 ( -1.583 -3.241 8.666) 9.387 19.952 ( -0.573 3.160 -4.762) 5.744 19.952 ( 0.573 3.160 4.762) 5.744 20.331 ( 1.053 -3.185 -7.859) 8.545 20.331 ( -1.053 -3.185 7.859) 8.545 21.644 ( -0.352 -8.057 -2.688) 8.501 21.644 ( 0.352 -8.057 2.688) 8.501 22.081 ( 0.152 -7.038 -2.281) 7.400 22.081 ( -0.152 -7.038 2.281) 7.400 22.669 ( 0.536 4.636 -5.802) 7.446 22.669 ( -0.536 4.636 5.802) 7.446 23.526 ( -0.689 4.130 -1.512) 4.452 23.526 ( 0.689 4.130 1.512) 4.452 24.068 ( 0.786 1.022 -5.243) 5.399 24.068 ( -0.786 1.022 5.243) 5.399 24.554 ( -0.278 5.643 -2.767) 6.291 24.554 ( 0.278 5.643 2.767) 6.291 ======================= Grid point 193 (98/104) ======================= q-point: ( 0.17 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 0.731 8.408 -9.496) 12.704 1.938 ( 5.636 7.678 4.415) 10.498 2.223 ( 0.953 7.802 -0.579) 7.881 2.301 ( 5.402 8.410 3.907) 10.733 2.633 ( -6.552 -2.956 2.057) 7.477 2.725 ( -9.258 1.990 1.618) 9.606 2.821 ( 4.120 3.525 2.679) 6.048 2.859 ( -3.184 0.392 -0.767) 3.299 3.078 ( -1.329 3.219 -4.804) 5.933 3.152 ( -8.580 10.248 1.429) 13.442 3.232 ( -1.883 3.590 -3.793) 5.552 3.282 ( 2.865 2.691 2.971) 4.927 3.401 ( -2.440 -2.747 1.201) 3.866 3.492 ( 0.942 -7.611 0.774) 7.709 3.741 ( -1.872 2.465 -3.832) 4.926 3.940 ( 3.885 2.303 -5.564) 7.166 4.036 ( -1.552 5.061 10.041) 11.352 4.067 ( 1.147 3.610 3.649) 5.260 4.185 ( -1.821 4.422 -1.158) 4.921 4.333 ( 0.359 2.581 0.282) 2.621 4.493 ( -12.459 5.054 -4.319) 14.122 4.790 ( 1.151 2.943 0.768) 3.252 4.807 ( 1.740 5.018 -4.290) 6.828 4.839 ( -3.885 6.870 3.370) 8.582 4.949 ( -1.208 8.762 -1.692) 9.005 5.105 ( 0.938 0.511 -2.647) 2.855 5.159 ( 2.182 2.578 0.433) 3.405 5.297 ( 4.376 3.705 -0.493) 5.755 5.440 ( -0.669 -3.294 -1.724) 3.778 5.556 ( 0.277 5.400 3.377) 6.375 5.816 ( 4.846 -10.165 -0.257) 11.264 5.911 ( 3.420 -7.476 -0.313) 8.227 6.269 ( 1.179 1.667 0.273) 2.060 6.350 ( 4.632 -1.256 0.442) 4.819 6.535 ( 0.368 -3.431 0.766) 3.534 6.604 ( 2.001 -1.220 1.215) 2.640 6.782 ( -3.321 -0.436 1.213) 3.562 6.922 ( 0.283 -2.684 -1.215) 2.960 6.987 ( -3.268 -2.950 1.232) 4.572 7.158 ( 2.049 -2.993 -1.857) 4.075 7.743 ( -5.510 7.356 0.549) 9.207 7.789 ( -4.994 7.754 -0.525) 9.238 8.178 ( 3.552 -2.134 2.179) 4.682 8.261 ( 5.465 2.264 -2.562) 6.446 8.377 ( 0.725 1.102 -0.166) 1.329 8.463 ( 5.501 -1.127 5.684) 7.990 8.686 ( -6.381 -4.603 2.165) 8.160 8.810 ( -0.667 -4.724 -2.711) 5.487 9.240 ( -5.601 2.421 1.896) 6.389 9.305 ( -2.067 4.565 -0.970) 5.104 9.630 ( 2.916 -5.109 -1.469) 6.063 9.725 ( 6.432 -9.233 -2.934) 11.629 10.180 ( -4.821 -0.717 1.353) 5.058 10.401 ( 4.903 -2.546 -4.233) 6.960 10.513 ( -3.943 -1.585 0.323) 4.262 10.621 ( 1.670 -4.442 5.239) 7.068 10.842 ( -6.005 -1.736 4.381) 7.633 10.888 ( -1.444 -1.847 6.065) 6.503 10.993 ( 4.277 -0.887 -2.520) 5.043 11.216 ( 12.097 -2.021 -3.592) 12.780 11.466 ( -16.731 0.414 -12.214) 20.719 11.783 ( -6.365 -3.756 -6.455) 9.812 11.942 ( -0.999 2.226 4.157) 4.820 12.171 ( 9.180 -0.137 8.199) 12.309 12.240 ( -9.199 2.022 1.218) 9.498 12.621 ( 9.211 0.492 2.356) 9.520 12.782 ( -4.081 -2.642 -3.090) 5.760 12.846 ( 0.688 -4.232 -2.444) 4.935 13.375 ( -0.469 -1.586 0.888) 1.877 13.451 ( 2.427 -3.658 -1.031) 4.509 13.691 ( 4.138 -1.275 0.801) 4.404 13.731 ( 4.407 -2.508 3.445) 6.131 14.685 ( 1.278 7.074 -7.109) 10.110 14.790 ( 4.744 5.397 6.979) 10.017 15.027 ( -6.182 7.358 2.250) 9.870 15.146 ( 0.898 6.314 -6.212) 8.904 16.089 ( -1.650 0.893 -3.941) 4.365 16.118 ( -2.136 -0.228 5.275) 5.695 16.487 ( 1.299 -2.748 3.005) 4.274 16.519 ( 3.057 -2.898 -3.854) 5.709 19.931 ( -0.204 3.730 -4.237) 5.648 19.971 ( -0.049 2.642 4.512) 5.229 20.304 ( -1.316 -2.897 0.967) 3.326 20.351 ( 0.508 -4.346 -0.680) 4.428 21.621 ( -0.112 -6.778 -0.194) 6.781 21.687 ( 2.174 -8.205 -0.346) 8.495 22.074 ( -0.207 -7.948 -2.318) 8.282 22.081 ( -0.526 -7.130 2.423) 7.549 22.652 ( -0.888 5.155 -3.619) 6.361 22.663 ( -1.500 4.297 3.617) 5.813 23.519 ( 0.418 4.598 -0.109) 4.618 23.551 ( 1.253 3.868 1.331) 4.279 24.060 ( -0.604 1.125 1.136) 1.709 24.071 ( 0.137 1.060 -1.599) 1.923 24.531 ( -1.088 6.057 -2.381) 6.599 24.558 ( -0.713 5.292 1.555) 5.562 ======================= Grid point 194 (99/104) ======================= q-point: ( 0.33 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 7.727 5.460 -10.740) 14.313 2.047 ( 4.813 2.930 3.124) 6.443 2.225 ( -2.360 4.797 2.029) 5.718 2.341 ( -8.785 5.611 1.011) 10.473 2.510 ( 1.462 3.571 9.812) 10.544 2.660 ( 0.361 -0.221 -5.062) 5.080 2.804 ( -1.284 6.069 2.291) 6.613 2.892 ( 2.359 3.901 1.194) 4.713 3.002 ( -6.366 10.853 -1.951) 12.733 3.060 ( 0.993 4.443 -3.201) 5.565 3.157 ( -9.296 8.285 2.157) 12.638 3.217 ( -4.900 4.545 1.725) 6.903 3.427 ( 2.887 -7.209 -2.113) 8.048 3.478 ( -1.796 -10.981 1.784) 11.269 3.748 ( 2.717 2.962 -2.903) 4.959 3.908 ( -4.949 0.944 -5.977) 7.817 4.044 ( 1.310 1.936 4.764) 5.306 4.099 ( 0.111 2.584 8.908) 9.276 4.196 ( 0.604 5.024 -3.395) 6.094 4.294 ( -3.473 -0.657 -5.551) 6.581 4.354 ( 0.486 8.343 4.405) 9.447 4.631 ( -10.137 4.875 -4.076) 11.964 4.846 ( 3.128 5.015 -0.593) 5.940 4.902 ( 5.524 6.013 2.801) 8.632 4.977 ( -0.785 8.890 0.930) 8.973 5.089 ( -2.096 1.219 -5.095) 5.643 5.208 ( 4.244 0.615 1.436) 4.522 5.352 ( -0.029 4.991 3.175) 5.915 5.424 ( 0.647 -4.940 -3.598) 6.146 5.520 ( -2.752 6.235 0.298) 6.822 5.908 ( 3.467 -6.109 -4.115) 8.140 5.948 ( 0.220 -8.511 2.545) 8.886 6.337 ( 5.375 0.835 2.195) 5.866 6.430 ( 3.377 -2.256 -1.141) 4.219 6.579 ( 3.202 -4.214 0.473) 5.313 6.628 ( 0.224 -4.041 1.703) 4.391 6.775 ( 1.973 3.366 3.943) 5.547 6.859 ( -3.181 -1.159 -2.790) 4.387 6.989 ( 0.467 -2.571 2.382) 3.536 7.133 ( -3.901 -1.623 -3.795) 5.680 7.659 ( -3.256 7.774 0.810) 8.467 7.694 ( -4.484 8.052 -0.354) 9.223 8.264 ( 4.550 -2.962 3.129) 6.267 8.333 ( 2.976 0.526 -3.261) 4.446 8.407 ( 2.435 0.591 0.813) 2.634 8.552 ( -2.824 -3.256 1.183) 4.470 8.608 ( 1.986 -3.231 6.465) 7.496 8.761 ( -3.169 -3.826 -4.237) 6.529 9.164 ( -2.472 4.329 3.264) 5.959 9.245 ( -3.661 5.517 -2.511) 7.081 9.706 ( 5.412 -7.914 -2.549) 9.921 9.811 ( 2.348 -12.219 -0.549) 12.455 10.152 ( 2.392 2.360 -1.323) 3.612 10.391 ( -6.842 1.019 2.845) 7.480 10.487 ( 3.429 -3.432 -4.769) 6.803 10.629 ( -3.174 -6.536 6.859) 9.992 10.803 ( 1.068 -0.946 2.632) 2.994 10.906 ( 0.669 -1.585 8.001) 8.184 11.052 ( 2.151 0.570 -3.908) 4.498 11.159 ( -12.077 0.438 -10.558) 16.047 11.410 ( 9.025 -1.804 -2.545) 9.549 11.630 ( -7.069 -3.252 -5.463) 9.508 11.927 ( -0.354 4.039 0.633) 4.104 12.076 ( -7.644 5.028 3.105) 9.662 12.348 ( 6.795 -4.354 6.880) 10.605 12.652 ( -8.085 -5.146 -5.400) 11.000 12.783 ( 7.229 -2.248 3.001) 8.144 12.878 ( 2.179 -5.441 -1.681) 6.097 13.397 ( 2.338 0.115 2.208) 3.218 13.477 ( 0.531 -2.537 -2.156) 3.372 13.774 ( 4.005 -1.074 0.410) 4.167 13.807 ( 2.356 -2.205 3.357) 4.656 14.716 ( 3.812 7.498 -6.154) 10.422 14.878 ( -1.775 5.486 4.203) 7.135 14.942 ( 0.870 7.400 5.400) 9.202 15.118 ( -1.928 6.103 -7.762) 10.060 16.056 ( -0.649 0.737 -3.671) 3.800 16.082 ( -2.768 -0.373 4.873) 5.617 16.529 ( 1.896 -2.141 3.631) 4.622 16.557 ( 1.890 -2.323 -4.313) 5.251 19.928 ( 0.992 3.814 -3.976) 5.598 19.968 ( -1.443 2.797 4.151) 5.210 20.296 ( 0.177 -3.793 2.008) 4.295 20.344 ( -0.868 -5.209 -1.675) 5.540 21.641 ( 1.993 -5.650 0.503) 6.012 21.708 ( 0.087 -6.917 -1.034) 6.995 22.067 ( 0.200 -9.289 -2.789) 9.700 22.076 ( -0.765 -8.138 2.965) 8.695 22.627 ( -0.597 5.439 -3.120) 6.298 22.639 ( -1.847 4.452 3.062) 5.710 23.538 ( 1.339 4.801 0.882) 5.062 23.569 ( 0.358 4.052 0.406) 4.088 24.055 ( -0.393 1.294 1.809) 2.258 24.065 ( -0.152 1.261 -2.364) 2.683 24.512 ( -0.137 6.062 -2.426) 6.531 24.539 ( -1.599 5.300 1.639) 5.774 ======================= Grid point 195 (100/104) ======================= q-point: (-0.50 0.29 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 12.487 1.080 -8.418) 15.098 2.002 ( -12.487 1.080 8.418) 15.098 2.205 ( -3.890 5.539 -3.688) 7.708 2.205 ( 3.890 5.539 3.688) 7.708 2.616 ( -3.101 1.811 -9.559) 10.211 2.616 ( 3.101 1.811 9.559) 10.211 2.861 ( -4.864 6.640 -2.683) 8.658 2.861 ( 4.864 6.640 2.683) 8.658 2.988 ( 6.548 9.069 -7.284) 13.348 2.988 ( -6.548 9.069 7.284) 13.348 3.124 ( -3.674 5.502 -3.669) 7.565 3.124 ( 3.674 5.502 3.669) 7.565 3.456 ( 0.855 -8.909 -2.698) 9.347 3.456 ( -0.855 -8.909 2.698) 9.347 3.809 ( 0.330 2.717 -8.483) 8.914 3.809 ( -0.330 2.717 8.483) 8.914 4.085 ( 1.528 -0.026 -6.744) 6.915 4.085 ( -1.528 -0.026 6.744) 6.915 4.224 ( -1.503 3.738 -2.230) 4.605 4.224 ( 1.503 3.738 2.230) 4.605 4.455 ( -7.032 5.269 -4.266) 9.768 4.455 ( 7.032 5.269 4.266) 9.768 4.917 ( -2.826 5.465 0.018) 6.153 4.917 ( 2.826 5.465 -0.018) 6.153 5.012 ( -4.002 5.713 -5.115) 8.650 5.012 ( 4.002 5.713 5.115) 8.650 5.300 ( -1.773 0.352 -1.811) 2.559 5.300 ( 1.773 0.352 1.811) 2.559 5.466 ( -2.440 2.293 -0.290) 3.361 5.466 ( 2.440 2.293 0.290) 3.361 5.938 ( 1.677 -5.947 -3.957) 7.337 5.938 ( -1.677 -5.947 3.957) 7.337 6.432 ( -2.723 -1.847 -3.116) 4.532 6.432 ( 2.723 -1.847 3.116) 4.532 6.621 ( 1.888 -4.797 -3.507) 6.234 6.621 ( -1.888 -4.797 3.507) 6.234 6.826 ( -0.855 3.175 -3.770) 5.002 6.826 ( 0.855 3.175 3.770) 5.002 7.031 ( -4.472 -2.462 -3.258) 6.056 7.031 ( 4.472 -2.462 3.258) 6.056 7.640 ( -0.355 8.244 -1.473) 8.382 7.640 ( 0.355 8.244 1.473) 8.382 8.339 ( -1.245 -1.900 -3.113) 3.854 8.339 ( 1.245 -1.900 3.113) 3.854 8.466 ( -2.422 -2.369 -3.583) 4.931 8.466 ( 2.422 -2.369 3.583) 4.931 8.689 ( -2.864 -2.802 -7.360) 8.380 8.689 ( 2.864 -2.802 7.360) 8.380 9.176 ( -1.931 5.579 -4.239) 7.268 9.176 ( 1.931 5.579 4.239) 7.268 9.793 ( 0.789 -10.989 -3.072) 11.437 9.793 ( -0.789 -10.989 3.072) 11.437 10.253 ( 2.457 2.679 -4.489) 5.776 10.253 ( -2.457 2.679 4.489) 5.776 10.558 ( 4.368 -5.064 -6.645) 9.428 10.558 ( -4.368 -5.064 6.645) 9.428 10.874 ( -4.811 -1.134 -2.274) 5.441 10.874 ( 4.811 -1.134 2.274) 5.441 11.047 ( -0.073 -0.225 -3.439) 3.447 11.047 ( 0.073 -0.225 3.439) 3.447 11.524 ( -4.152 -1.084 -1.341) 4.496 11.524 ( 4.152 -1.084 1.341) 4.496 11.965 ( 1.605 4.131 -6.840) 8.151 11.965 ( -1.605 4.131 6.840) 8.151 12.491 ( -7.447 -4.856 -6.171) 10.823 12.491 ( 7.447 -4.856 6.171) 10.823 12.878 ( -1.876 -5.272 -2.743) 6.232 12.878 ( 1.876 -5.272 2.743) 6.232 13.453 ( -2.217 -0.546 -3.117) 3.863 13.453 ( 2.217 -0.546 3.117) 3.863 13.823 ( 1.091 -1.656 -1.767) 2.656 13.823 ( -1.091 -1.656 1.767) 2.656 14.790 ( 2.600 7.584 -9.517) 12.445 14.790 ( -2.600 7.584 9.517) 12.445 15.040 ( -4.198 5.814 -8.227) 10.914 15.040 ( 4.198 5.814 8.227) 10.914 16.053 ( 1.433 0.189 -6.662) 6.817 16.053 ( -1.433 0.189 6.662) 6.817 16.561 ( 0.844 -2.013 -9.177) 9.433 16.561 ( -0.844 -2.013 9.177) 9.433 19.946 ( 1.895 3.389 -3.903) 5.506 19.946 ( -1.895 3.389 3.903) 5.506 20.317 ( 0.587 -4.935 -8.184) 9.574 20.317 ( -0.587 -4.935 8.184) 9.574 21.684 ( -0.224 -5.656 -4.667) 7.336 21.684 ( 0.224 -5.656 4.667) 7.336 22.069 ( 0.860 -9.375 -4.461) 10.418 22.069 ( -0.860 -9.375 4.461) 10.418 22.621 ( 0.831 5.076 -4.063) 6.555 22.621 ( -0.831 5.076 4.063) 6.555 23.563 ( -0.914 4.517 -0.756) 4.671 23.563 ( 0.914 4.517 0.756) 4.671 24.057 ( 0.507 1.392 -4.984) 5.199 24.057 ( -0.507 1.392 4.984) 5.199 24.516 ( 1.069 5.654 -2.389) 6.231 24.516 ( -1.069 5.654 2.389) 6.231 ======================= Grid point 199 (101/104) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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| 2.006 ( -2.402 5.347 -3.077) 6.620 2.006 ( 2.402 5.347 3.077) 6.620 2.419 ( 3.333 7.628 -9.492) 12.625 2.419 ( -3.333 7.628 9.492) 12.625 2.647 ( 2.817 -4.563 -2.994) 6.142 2.647 ( -2.817 -4.563 2.994) 6.142 2.864 ( 2.247 -1.525 -4.699) 5.427 2.864 ( -2.247 -1.525 4.699) 5.427 3.151 ( -2.657 0.737 -0.800) 2.871 3.151 ( 2.657 0.737 0.800) 2.871 3.288 ( -0.942 -1.749 -2.175) 2.945 3.288 ( 0.942 -1.749 2.175) 2.945 3.450 ( -1.479 1.170 -2.641) 3.245 3.450 ( 1.479 1.170 2.641) 3.245 3.941 ( 0.472 2.882 -2.628) 3.929 3.941 ( -0.472 2.882 2.628) 3.929 4.125 ( 0.456 2.011 -0.229) 2.075 4.125 ( -0.456 2.011 0.229) 2.075 4.360 ( -4.420 5.211 -1.401) 6.975 4.360 ( 4.420 5.211 1.401) 6.975 4.789 ( -4.726 2.761 -1.927) 5.802 4.789 ( 4.726 2.761 1.928) 5.802 4.901 ( -0.981 1.812 -3.384) 3.962 4.901 ( 0.981 1.812 3.384) 3.962 5.159 ( 2.868 3.974 -4.562) 6.695 5.159 ( -2.868 3.974 4.562) 6.695 5.252 ( -1.458 1.538 -3.187) 3.828 5.252 ( 1.458 1.538 3.187) 3.828 5.379 ( -2.053 -5.816 -3.746) 7.216 5.379 ( 2.053 -5.816 3.746) 7.216 5.729 ( 0.178 -1.928 -1.519) 2.461 5.729 ( -0.178 -1.928 1.519) 2.461 6.304 ( 0.190 1.234 -1.829) 2.215 6.304 ( -0.190 1.234 1.829) 2.215 6.523 ( -1.200 -1.364 -0.020) 1.817 6.523 ( 1.200 -1.364 0.020) 1.817 6.866 ( -3.027 2.595 -1.947) 4.437 6.866 ( 3.027 2.595 1.947) 4.437 6.969 ( -3.658 -5.967 -1.967) 7.270 6.969 ( 3.658 -5.967 1.967) 7.270 7.969 ( -3.118 5.760 -3.390) 7.375 7.969 ( 3.118 5.760 3.390) 7.375 8.119 ( -3.274 -4.171 -4.905) 7.223 8.119 ( 3.274 -4.171 4.905) 7.223 8.455 ( 0.304 4.926 -1.495) 5.157 8.455 ( -0.304 4.926 1.495) 5.157 8.659 ( 3.122 -5.774 -1.501) 6.733 8.659 ( -3.122 -5.774 1.501) 6.733 9.384 ( -1.314 3.488 -2.642) 4.569 9.384 ( 1.314 3.488 2.642) 4.569 9.519 ( -0.723 -4.491 -5.345) 7.018 9.519 ( 0.723 -4.491 5.345) 7.018 10.269 ( 0.180 -0.145 -2.456) 2.466 10.269 ( -0.180 -0.145 2.456) 2.466 10.517 ( -0.936 -1.876 -1.839) 2.789 10.517 ( 0.936 -1.876 1.839) 2.789 10.904 ( 2.129 0.521 -5.116) 5.566 10.904 ( -2.129 0.521 5.116) 5.566 10.944 ( 2.808 -2.675 -4.891) 6.242 10.944 ( -2.808 -2.675 4.891) 6.242 11.788 ( -4.986 0.491 -4.113) 6.482 11.788 ( 4.986 0.491 4.113) 6.482 11.938 ( -0.942 -1.421 -3.677) 4.054 11.938 ( 0.942 -1.421 3.677) 4.054 12.494 ( -4.244 2.271 -1.083) 4.934 12.494 ( 4.244 2.271 1.083) 4.934 12.796 ( -0.735 -1.485 -0.893) 1.882 12.796 ( 0.735 -1.485 0.893) 1.882 13.351 ( -0.758 -1.297 -0.012) 1.502 13.351 ( 0.758 -1.297 0.012) 1.502 13.626 ( -0.450 -0.990 -0.560) 1.223 13.626 ( 0.450 -0.990 0.560) 1.223 14.806 ( -0.755 2.440 -2.808) 3.796 14.806 ( 0.755 2.440 2.808) 3.796 15.229 ( 1.010 3.278 -2.260) 4.108 15.229 ( -1.010 3.278 2.260) 4.108 16.138 ( 0.160 0.710 -2.749) 2.844 16.138 ( -0.160 0.710 2.749) 2.844 16.417 ( 0.934 -2.170 -3.989) 4.637 16.417 ( -0.934 -2.170 3.989) 4.637 20.017 ( -0.001 2.375 -3.250) 4.025 20.017 ( 0.001 2.375 3.250) 4.025 20.263 ( 0.640 -2.531 -4.322) 5.049 20.263 ( -0.640 -2.531 4.322) 5.049 21.529 ( -0.438 -2.757 -0.524) 2.840 21.529 ( 0.438 -2.757 0.524) 2.840 21.970 ( -0.087 -2.945 -0.707) 3.030 21.970 ( 0.087 -2.945 0.707) 3.030 22.742 ( 0.124 1.924 -2.217) 2.938 22.742 ( -0.124 1.924 2.217) 2.938 23.584 ( -0.231 1.366 -0.727) 1.565 23.584 ( 0.231 1.366 0.727) 1.565 24.084 ( 0.319 0.413 -1.835) 1.908 24.084 ( -0.319 0.413 1.835) 1.908 24.642 ( -0.175 2.273 -0.876) 2.442 24.642 ( 0.175 2.273 0.876) 2.442 ======================= Grid point 201 (102/104) ======================= q-point: ( 0.17 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( -1.336 7.208 -5.159) 8.964 2.038 ( 0.604 0.370 0.287) 0.764 2.380 ( -3.108 8.209 8.689) 12.351 2.502 ( 6.198 5.528 -2.321) 8.623 2.581 ( -6.145 -2.317 5.241) 8.403 2.637 ( -1.807 -4.269 0.526) 4.666 2.879 ( 3.230 1.884 2.124) 4.301 2.935 ( 4.754 1.977 -4.040) 6.544 3.078 ( -4.129 -0.036 -2.629) 4.895 3.168 ( -0.917 -3.905 -0.050) 4.012 3.224 ( -2.929 0.579 0.087) 2.987 3.297 ( -2.020 -6.714 -1.943) 7.276 3.413 ( -1.717 5.498 4.411) 7.255 3.474 ( -1.895 0.759 4.004) 4.494 3.863 ( -4.134 7.009 -3.172) 8.734 3.950 ( -1.032 -1.457 -4.465) 4.809 4.113 ( -1.363 2.815 0.863) 3.245 4.142 ( 0.666 1.222 2.898) 3.215 4.257 ( -4.341 4.893 0.454) 6.556 4.361 ( -4.774 -2.382 -1.319) 5.496 4.650 ( -6.537 9.291 0.285) 11.363 4.836 ( -1.208 -6.614 -2.450) 7.156 4.876 ( -2.102 4.877 -2.760) 5.985 4.926 ( 3.268 2.631 1.366) 4.412 5.138 ( 1.634 8.920 -1.853) 9.255 5.185 ( -3.279 7.063 -1.208) 7.880 5.250 ( 7.003 5.201 -3.997) 9.595 5.287 ( -0.127 -1.315 -5.386) 5.545 5.345 ( -0.090 -6.401 4.692) 7.937 5.533 ( 7.875 -14.983 1.035) 16.958 5.704 ( 1.307 6.397 2.926) 7.155 5.803 ( 3.830 -3.315 1.446) 5.268 6.323 ( 2.401 2.336 0.649) 3.412 6.340 ( 3.738 0.095 -0.634) 3.793 6.490 ( -1.522 -0.255 1.879) 2.432 6.537 ( -0.354 -3.953 0.770) 4.043 6.818 ( -1.033 2.369 -0.648) 2.664 6.873 ( -3.246 -2.718 -1.159) 4.390 6.942 ( 1.995 1.540 2.337) 3.437 7.049 ( 2.995 -6.527 -0.007) 7.181 7.874 ( -4.860 5.334 -1.972) 7.481 7.929 ( -5.290 2.525 -0.996) 5.946 8.138 ( 3.840 0.971 4.078) 5.685 8.232 ( 4.526 -4.815 4.536) 8.015 8.461 ( 1.022 2.485 -0.414) 2.719 8.472 ( 1.422 3.502 1.253) 3.982 8.593 ( -3.810 -1.613 -0.090) 4.138 8.686 ( 0.224 -6.779 -2.644) 7.280 9.313 ( -3.802 4.594 -0.796) 6.016 9.382 ( -1.559 1.056 -2.285) 2.961 9.521 ( 1.363 -3.620 -2.532) 4.623 9.560 ( 1.629 -5.495 4.653) 7.382 10.226 ( -0.658 4.572 -0.670) 4.668 10.334 ( 3.743 -4.584 -2.842) 6.565 10.484 ( -2.480 -0.056 -0.234) 2.492 10.526 ( -0.803 -3.770 2.936) 4.845 10.828 ( -4.116 0.288 4.408) 6.038 10.849 ( -1.874 -1.578 4.721) 5.319 11.019 ( 6.913 3.284 -3.028) 8.231 11.118 ( 9.872 -5.680 -5.431) 12.618 11.549 ( -13.281 5.954 -9.017) 17.121 11.679 ( -9.006 -5.949 -8.292) 13.610 11.997 ( 2.144 3.102 7.341) 8.253 12.080 ( 6.161 -4.879 8.246) 11.391 12.382 ( -6.502 8.341 0.753) 10.603 12.551 ( -0.428 -6.960 0.883) 7.029 12.762 ( -0.678 1.329 -2.963) 3.317 12.800 ( 0.426 -1.673 -1.718) 2.436 13.358 ( 1.564 0.181 0.151) 1.581 13.384 ( 2.457 -2.327 -0.415) 3.410 13.674 ( 4.557 -0.240 1.997) 4.981 13.686 ( 4.581 -1.499 2.918) 5.634 14.810 ( 1.887 4.260 -2.177) 5.143 14.852 ( 3.359 0.380 2.919) 4.466 15.175 ( -3.877 5.666 -1.260) 6.980 15.229 ( -0.835 0.895 -4.451) 4.616 16.115 ( -1.787 1.053 -0.554) 2.147 16.120 ( -2.434 0.331 4.700) 5.304 16.438 ( 2.395 -1.209 1.362) 3.009 16.455 ( 3.466 -2.593 -3.698) 5.693 20.008 ( -0.065 2.920 -3.032) 4.210 20.023 ( -0.369 1.612 2.886) 3.326 20.249 ( -1.024 -1.778 0.639) 2.149 20.262 ( -0.313 -3.189 -1.042) 3.369 21.532 ( 1.089 -1.587 0.446) 1.975 21.556 ( 1.953 -3.812 0.511) 4.313 21.955 ( -1.249 -2.822 -0.861) 3.204 21.963 ( -1.026 -3.438 0.257) 3.597 22.730 ( -0.739 2.248 -1.804) 2.976 22.736 ( -1.081 1.798 1.987) 2.889 23.588 ( 0.751 1.907 0.314) 2.073 23.599 ( 1.019 0.820 1.105) 1.712 24.080 ( -0.299 0.672 0.710) 1.022 24.085 ( 0.130 0.245 -1.102) 1.137 24.628 ( -0.889 2.744 -1.228) 3.134 24.637 ( -0.804 1.851 0.484) 2.075 ======================= Grid point 202 (103/104) ======================= q-point: ( 0.33 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 3.485 5.842 -6.380) 9.327 2.048 ( 1.145 -2.598 -1.221) 3.091 2.322 ( -5.744 5.081 8.323) 11.317 2.413 ( -11.232 -1.883 5.390) 12.600 2.626 ( 6.815 6.505 -0.415) 9.430 2.672 ( 3.952 1.698 0.858) 4.387 2.919 ( -0.760 3.431 5.313) 6.370 2.993 ( 1.777 5.591 -4.348) 7.302 3.013 ( -1.404 -2.231 -3.858) 4.672 3.149 ( 1.420 0.697 -0.599) 1.692 3.190 ( -4.374 -4.704 -4.008) 7.571 3.249 ( 1.139 -8.431 0.625) 8.531 3.361 ( -7.125 5.476 5.483) 10.527 3.403 ( -4.568 2.567 3.015) 6.045 3.824 ( 0.473 4.651 -1.175) 4.820 3.899 ( -2.540 -1.874 -4.883) 5.815 4.092 ( -0.213 2.872 -1.825) 3.409 4.141 ( -2.526 0.258 6.403) 6.888 4.214 ( -0.766 -0.071 -0.800) 1.110 4.261 ( -3.686 -2.849 -0.931) 4.751 4.596 ( 0.094 12.492 1.392) 12.569 4.746 ( -5.527 2.991 -4.815) 7.916 4.884 ( 2.611 -0.264 -1.751) 3.155 4.980 ( 1.274 -4.277 0.004) 4.463 5.115 ( -1.658 8.301 -3.066) 9.003 5.181 ( 1.145 6.150 0.742) 6.300 5.246 ( -1.766 -0.117 -2.536) 3.093 5.306 ( -1.757 -4.605 -1.712) 5.217 5.421 ( 7.538 4.531 2.379) 9.111 5.595 ( -0.001 -5.981 -0.572) 6.009 5.785 ( 4.435 1.263 3.021) 5.513 5.852 ( 1.067 -2.355 -0.336) 2.607 6.386 ( 3.423 3.071 1.496) 4.836 6.413 ( 3.315 0.240 -1.688) 3.728 6.495 ( 1.494 -2.680 1.520) 3.424 6.525 ( -0.902 -4.792 2.126) 5.320 6.830 ( 1.312 0.246 -0.180) 1.347 6.847 ( 2.688 0.106 1.038) 2.884 6.955 ( -1.607 1.812 1.344) 2.770 7.053 ( -2.565 -5.411 -1.967) 6.303 7.806 ( -1.994 5.757 -0.353) 6.103 7.844 ( -3.560 3.729 -0.287) 5.163 8.206 ( 2.606 -0.490 2.405) 3.580 8.277 ( -0.412 -4.851 3.377) 5.925 8.470 ( 0.060 1.937 0.576) 2.022 8.504 ( -1.084 -0.908 1.511) 2.069 8.559 ( 2.072 1.407 1.533) 2.937 8.661 ( -1.458 -5.579 -4.957) 7.604 9.272 ( -0.445 5.795 0.749) 5.860 9.341 ( -2.202 2.030 -2.760) 4.073 9.544 ( 1.983 -5.396 -2.286) 6.187 9.587 ( 0.002 -7.780 3.759) 8.641 10.251 ( 3.668 6.396 -1.780) 7.585 10.390 ( 3.370 -6.018 -3.905) 7.927 10.425 ( -4.118 2.391 1.595) 5.022 10.500 ( -2.872 -4.968 3.845) 6.907 10.812 ( 0.926 1.703 4.844) 5.217 10.860 ( 1.101 -2.506 6.332) 6.898 11.087 ( 0.529 2.583 -6.621) 7.127 11.143 ( -6.479 -2.173 -11.769) 13.609 11.429 ( 3.554 3.633 -0.069) 5.083 11.534 ( -3.675 -5.446 -3.429) 7.411 12.027 ( 0.445 5.413 3.723) 6.585 12.133 ( -2.500 -2.747 3.713) 5.251 12.305 ( -0.781 4.262 2.674) 5.092 12.473 ( -6.407 -9.593 -1.985) 11.705 12.787 ( 2.714 1.170 -0.582) 3.012 12.816 ( 1.294 -1.599 -1.165) 2.364 13.401 ( 2.610 0.540 0.727) 2.762 13.426 ( 1.933 -1.921 -0.754) 2.828 13.759 ( 3.511 -0.293 1.568) 3.856 13.768 ( 2.961 -1.240 2.672) 4.177 14.859 ( 3.797 5.505 -0.939) 6.753 14.929 ( 3.272 -0.746 3.076) 4.553 15.098 ( -3.216 6.576 -1.396) 7.452 15.180 ( -2.951 -0.607 -5.838) 6.569 16.084 ( -1.334 1.267 0.588) 1.932 16.089 ( -1.807 0.635 3.092) 3.638 16.489 ( 2.246 -1.035 1.825) 3.073 16.503 ( 2.438 -2.210 -3.659) 4.921 20.003 ( 0.379 2.771 -2.799) 3.957 20.018 ( -0.848 1.397 2.626) 3.094 20.235 ( -0.632 -1.692 1.261) 2.203 20.249 ( -0.679 -3.148 -1.639) 3.613 21.566 ( 2.067 -1.268 0.914) 2.592 21.592 ( 1.466 -3.670 0.163) 3.955 21.927 ( -1.227 -3.214 -0.832) 3.539 21.938 ( -1.531 -4.058 0.121) 4.339 22.713 ( -0.570 2.459 -1.479) 2.926 22.718 ( -1.202 2.025 1.666) 2.885 23.607 ( 1.078 1.881 0.682) 2.273 23.619 ( 0.676 0.810 0.760) 1.300 24.078 ( -0.157 0.794 0.928) 1.231 24.083 ( 0.004 0.340 -1.359) 1.401 24.610 ( -0.586 2.784 -1.272) 3.116 24.619 ( -1.145 1.875 0.521) 2.258 ======================= Grid point 203 (104/104) ======================= q-point: (-0.50 0.43 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 4.593 1.247 -3.812) 6.097 2.034 ( -4.593 1.247 3.812) 6.097 2.275 ( -2.248 1.179 -1.609) 3.005 2.275 ( 2.248 1.179 1.609) 3.005 2.713 ( 0.994 5.970 -6.261) 8.708 2.713 ( -0.994 5.970 6.261) 8.708 2.934 ( -1.921 0.223 -5.928) 6.236 2.934 ( 1.921 0.223 5.928) 6.236 3.072 ( -5.344 -1.075 -2.035) 5.819 3.072 ( 5.344 -1.075 2.035) 5.819 3.230 ( 1.005 4.816 -5.373) 7.285 3.230 ( -1.005 4.816 5.372) 7.285 3.322 ( 2.804 -3.933 -2.270) 5.337 3.322 ( -2.804 -3.933 2.270) 5.337 3.850 ( -0.588 1.346 -5.122) 5.328 3.850 ( 0.588 1.346 5.122) 5.328 4.103 ( 2.108 1.665 -7.298) 7.777 4.103 ( -2.108 1.665 7.298) 7.777 4.220 ( 0.977 -2.492 -5.209) 5.856 4.220 ( -0.977 -2.492 5.209) 5.856 4.644 ( -4.078 9.736 -3.305) 11.061 4.644 ( 4.078 9.736 3.305) 11.061 4.944 ( -0.162 -2.419 -0.981) 2.616 4.944 ( 0.162 -2.419 0.981) 2.616 5.145 ( 4.007 3.774 -1.453) 5.693 5.145 ( -4.007 3.774 1.453) 5.693 5.257 ( -2.388 -1.745 0.057) 2.958 5.257 ( 2.388 -1.745 -0.057) 2.958 5.547 ( -4.802 2.806 -2.491) 6.094 5.547 ( 4.802 2.806 2.491) 6.094 5.844 ( -0.947 -1.973 -3.552) 4.172 5.844 ( 0.947 -1.973 3.552) 4.172 6.431 ( -0.708 1.309 -2.214) 2.667 6.431 ( 0.708 1.309 2.214) 2.667 6.518 ( 0.958 -4.097 -2.511) 4.900 6.518 ( -0.958 -4.097 2.511) 4.900 6.886 ( -1.906 2.822 -1.248) 3.627 6.886 ( 1.906 2.822 1.248) 3.627 6.958 ( -5.448 -3.941 -3.217) 7.454 6.958 ( 5.448 -3.941 3.217) 7.454 7.800 ( -0.269 5.459 -1.137) 5.582 7.800 ( 0.269 5.459 1.137) 5.582 8.253 ( 1.930 -4.182 -1.243) 4.771 8.253 ( -1.930 -4.182 1.243) 4.771 8.477 ( -0.605 2.352 -3.189) 4.009 8.477 ( 0.605 2.352 3.189) 4.009 8.617 ( -1.992 -3.454 -6.090) 7.279 8.617 ( 1.992 -3.454 6.090) 7.279 9.293 ( -0.918 4.871 -3.886) 6.299 9.293 ( 0.918 4.871 3.886) 6.299 9.577 ( 1.811 -7.754 -2.889) 8.470 9.577 ( -1.811 -7.754 2.889) 8.470 10.336 ( 4.617 4.697 -2.057) 6.900 10.336 ( -4.617 4.697 2.057) 6.900 10.448 ( 3.756 -5.221 -4.354) 7.767 10.448 ( -3.756 -5.221 4.354) 7.767 10.868 ( -2.662 0.286 -1.698) 3.170 10.868 ( 2.662 0.286 1.698) 3.170 11.042 ( -0.368 -0.249 -2.101) 2.147 11.042 ( 0.368 -0.249 2.101) 2.147 11.500 ( -1.672 -0.852 -0.734) 2.015 11.500 ( 1.672 -0.852 0.734) 2.015 12.064 ( -0.314 4.304 -4.672) 6.360 12.064 ( 0.314 4.304 4.672) 6.360 12.358 ( -4.222 -5.747 -3.921) 8.138 12.358 ( 4.222 -5.747 3.921) 8.138 12.822 ( -0.622 -0.831 -0.667) 1.234 12.822 ( 0.622 -0.831 0.667) 1.234 13.437 ( -0.558 -0.564 -1.199) 1.438 13.437 ( 0.558 -0.564 1.199) 1.438 13.797 ( 0.327 -0.744 -0.740) 1.099 13.797 ( -0.327 -0.744 0.740) 1.099 14.930 ( 0.371 4.510 -6.564) 7.973 14.930 ( -0.371 4.510 6.564) 7.973 15.105 ( -2.231 0.741 -5.753) 6.215 15.105 ( 2.231 0.741 5.753) 6.215 16.074 ( 0.493 1.153 -3.332) 3.560 16.074 ( -0.493 1.153 3.332) 3.560 16.517 ( 0.280 -1.540 -4.230) 4.510 16.517 ( -0.280 -1.540 4.230) 4.510 20.008 ( 0.877 2.020 -2.588) 3.398 20.008 ( -0.877 2.020 2.588) 3.398 20.235 ( 0.306 -2.413 -3.883) 4.582 20.235 ( -0.306 -2.413 3.883) 4.582 21.598 ( -0.257 -2.238 -1.652) 2.794 21.598 ( 0.257 -2.238 1.652) 2.794 21.918 ( 0.298 -4.015 -1.753) 4.391 21.918 ( -0.298 -4.015 1.753) 4.391 22.707 ( 0.391 2.361 -1.766) 2.974 22.707 ( -0.391 2.361 1.766) 2.974 23.623 ( -0.297 1.329 -0.203) 1.377 23.623 ( 0.297 1.329 0.203) 1.377 24.080 ( 0.109 0.633 -1.749) 1.863 24.080 ( -0.109 0.633 1.749) 1.863 24.605 ( 0.449 2.335 -0.905) 2.545 24.605 ( -0.449 2.335 0.905) 2.545 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/32256 10.0 1049.001 1173.690 1008.529 0.000 27.360 0.000 3/32256 20.0 180.689 314.848 216.468 0.000 1.881 0.000 3/32256 30.0 71.595 131.863 86.747 0.000 0.333 0.000 3/32256 40.0 39.219 71.736 48.274 0.000 0.080 0.000 3/32256 50.0 25.505 46.153 31.855 0.000 0.030 0.000 3/32256 60.0 18.393 32.980 23.218 0.000 0.024 0.000 3/32256 70.0 14.182 25.241 18.038 0.000 0.026 0.000 3/32256 80.0 11.454 20.256 14.646 0.000 0.029 0.000 3/32256 90.0 9.567 16.823 12.280 0.000 0.030 0.000 3/32256 100.0 8.196 14.340 10.551 0.000 0.031 0.000 3/32256 110.0 7.161 12.472 9.239 0.000 0.032 0.000 3/32256 120.0 6.356 11.024 8.215 0.000 0.032 0.000 3/32256 130.0 5.714 9.871 7.395 0.000 0.032 0.000 3/32256 140.0 5.190 8.936 6.726 0.000 0.031 0.000 3/32256 150.0 4.755 8.162 6.169 0.000 0.031 0.000 3/32256 160.0 4.389 7.513 5.701 0.000 0.030 0.000 3/32256 170.0 4.076 6.961 5.301 0.000 0.029 0.000 3/32256 180.0 3.806 6.486 4.955 0.000 0.028 0.000 3/32256 190.0 3.570 6.073 4.654 0.000 0.027 0.000 3/32256 200.0 3.363 5.711 4.389 0.000 0.026 0.000 3/32256 210.0 3.178 5.391 4.154 0.000 0.025 0.000 3/32256 220.0 3.014 5.107 3.945 0.000 0.024 0.000 3/32256 230.0 2.866 4.852 3.756 0.000 0.023 0.000 3/32256 240.0 2.732 4.622 3.586 0.000 0.022 0.000 3/32256 250.0 2.611 4.413 3.432 0.000 0.021 0.000 3/32256 260.0 2.500 4.224 3.291 0.000 0.020 0.000 3/32256 270.0 2.399 4.051 3.161 0.000 0.020 0.000 3/32256 280.0 2.305 3.891 3.042 0.000 0.019 0.000 3/32256 290.0 2.219 3.745 2.933 0.000 0.018 0.000 3/32256 300.0 2.139 3.609 2.831 0.000 0.017 0.000 3/32256 310.0 2.065 3.484 2.736 0.000 0.016 0.000 3/32256 320.0 1.996 3.367 2.648 0.000 0.016 0.000 3/32256 330.0 1.932 3.258 2.566 0.000 0.015 0.000 3/32256 340.0 1.871 3.156 2.488 0.000 0.014 0.000 3/32256 350.0 1.815 3.060 2.416 0.000 0.014 0.000 3/32256 360.0 1.761 2.970 2.347 0.000 0.013 0.000 3/32256 370.0 1.711 2.886 2.283 0.000 0.013 0.000 3/32256 380.0 1.664 2.806 2.222 0.000 0.012 0.000 3/32256 390.0 1.619 2.731 2.165 0.000 0.012 0.000 3/32256 400.0 1.577 2.659 2.110 0.000 0.011 0.000 3/32256 410.0 1.537 2.592 2.058 0.000 0.011 0.000 3/32256 420.0 1.499 2.528 2.009 0.000 0.010 0.000 3/32256 430.0 1.462 2.467 1.962 0.000 0.010 0.000 3/32256 440.0 1.428 2.409 1.917 0.000 0.010 0.000 3/32256 450.0 1.395 2.354 1.874 0.000 0.009 0.000 3/32256 460.0 1.364 2.301 1.834 0.000 0.009 0.000 3/32256 470.0 1.334 2.251 1.795 0.000 0.009 0.000 3/32256 480.0 1.305 2.202 1.757 0.000 0.009 0.000 3/32256 490.0 1.278 2.156 1.721 0.000 0.008 0.000 3/32256 500.0 1.251 2.112 1.687 0.000 0.008 0.000 3/32256 510.0 1.226 2.070 1.654 0.000 0.008 0.000 3/32256 520.0 1.202 2.029 1.622 0.000 0.008 0.000 3/32256 530.0 1.179 1.990 1.592 0.000 0.007 0.000 3/32256 540.0 1.156 1.952 1.562 0.000 0.007 0.000 3/32256 550.0 1.135 1.916 1.534 0.000 0.007 0.000 3/32256 560.0 1.114 1.881 1.507 0.000 0.007 0.000 3/32256 570.0 1.094 1.848 1.481 0.000 0.007 0.000 3/32256 580.0 1.075 1.815 1.455 0.000 0.006 0.000 3/32256 590.0 1.056 1.784 1.431 0.000 0.006 0.000 3/32256 600.0 1.038 1.754 1.407 0.000 0.006 0.000 3/32256 610.0 1.021 1.725 1.384 0.000 0.006 0.000 3/32256 620.0 1.004 1.696 1.362 0.000 0.006 0.000 3/32256 630.0 0.988 1.669 1.340 0.000 0.006 0.000 3/32256 640.0 0.972 1.643 1.319 0.000 0.005 0.000 3/32256 650.0 0.957 1.617 1.299 0.000 0.005 0.000 3/32256 660.0 0.942 1.592 1.280 0.000 0.005 0.000 3/32256 670.0 0.928 1.568 1.261 0.000 0.005 0.000 3/32256 680.0 0.914 1.545 1.242 0.000 0.005 0.000 3/32256 690.0 0.901 1.522 1.224 0.000 0.005 0.000 3/32256 700.0 0.887 1.500 1.207 0.000 0.005 0.000 3/32256 710.0 0.875 1.479 1.190 0.000 0.005 0.000 3/32256 720.0 0.862 1.458 1.174 0.000 0.005 0.000 3/32256 730.0 0.850 1.438 1.158 0.000 0.004 0.000 3/32256 740.0 0.839 1.418 1.142 0.000 0.004 0.000 3/32256 750.0 0.828 1.399 1.127 0.000 0.004 0.000 3/32256 760.0 0.816 1.381 1.112 0.000 0.004 0.000 3/32256 770.0 0.806 1.363 1.098 0.000 0.004 0.000 3/32256 780.0 0.795 1.345 1.084 0.000 0.004 0.000 3/32256 790.0 0.785 1.328 1.070 0.000 0.004 0.000 3/32256 800.0 0.775 1.311 1.057 0.000 0.004 0.000 3/32256 810.0 0.766 1.295 1.044 0.000 0.004 0.000 3/32256 820.0 0.756 1.279 1.031 0.000 0.004 0.000 3/32256 830.0 0.747 1.263 1.019 0.000 0.004 0.000 3/32256 840.0 0.738 1.248 1.007 0.000 0.004 0.000 3/32256 850.0 0.729 1.234 0.995 0.000 0.004 0.000 3/32256 860.0 0.721 1.219 0.983 0.000 0.004 0.000 3/32256 870.0 0.712 1.205 0.972 0.000 0.003 0.000 3/32256 880.0 0.704 1.191 0.961 0.000 0.003 0.000 3/32256 890.0 0.696 1.178 0.950 0.000 0.003 0.000 3/32256 900.0 0.688 1.165 0.940 0.000 0.003 0.000 3/32256 910.0 0.681 1.152 0.930 0.000 0.003 0.000 3/32256 920.0 0.673 1.139 0.920 0.000 0.003 0.000 3/32256 930.0 0.666 1.127 0.910 0.000 0.003 0.000 3/32256 940.0 0.659 1.115 0.900 0.000 0.003 0.000 3/32256 950.0 0.652 1.103 0.891 0.000 0.003 0.000 3/32256 960.0 0.645 1.091 0.881 0.000 0.003 0.000 3/32256 970.0 0.638 1.080 0.872 0.000 0.003 0.000 3/32256 980.0 0.632 1.069 0.864 0.000 0.003 0.000 3/32256 990.0 0.625 1.058 0.855 0.000 0.003 0.000 3/32256 1000.0 0.619 1.048 0.846 0.000 0.003 0.000 3/32256 Thermal conductivity related properties were written into "kappa-m678.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:16:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|