----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 18:59:33]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 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 6.267631630462721 0.000000000000000 0.000000000000000 b 0.000000000000000 12.609061240000001 0.000000000000000 c -6.234755839525284 0.000000000000000 9.491895640185030 Atomic positions (fractional): *1 P 0.63419462402806 0.31545914423894 0.96333299237126 30.974 2 P 0.36580537597194 0.81545914423894 0.53666700762874 30.974 3 P 0.36580537597194 0.68454085576106 0.03666700762874 30.974 4 P 0.63419462402806 0.18454085576106 0.46333299237126 30.974 *5 P 0.30550023237807 0.41820467674754 0.86972072808325 30.974 6 P 0.69449976762193 0.91820467674754 0.63027927191675 30.974 7 P 0.69449976762193 0.58179532325246 0.13027927191675 30.974 8 P 0.30550023237807 0.08179532325246 0.36972072808325 30.974 *9 P 0.63951108810127 0.28650194109386 0.77387366587858 30.974 10 P 0.36048891189873 0.78650194109386 0.72612633412142 30.974 11 P 0.36048891189873 0.71349805890614 0.22612633412142 30.974 12 P 0.63951108810127 0.21349805890614 0.27387366587858 30.974 *13 P 0.59506645946262 0.44362673241668 0.67753580184913 30.974 14 P 0.40493354053738 0.94362673241668 0.82246419815087 30.974 15 P 0.40493354053738 0.55637326758332 0.32246419815087 30.974 16 P 0.59506645946262 0.05637326758332 0.17753580184913 30.974 *17 P 0.25248183183319 0.22390741613396 0.63513501442979 30.974 18 P 0.74751816816681 0.72390741613396 0.86486498557021 30.974 19 P 0.74751816816681 0.77609258386604 0.36486498557021 30.974 20 P 0.25248183183319 0.27609258386604 0.13513501442979 30.974 *21 P 0.72296362228973 0.99902584307777 0.81283473710958 30.974 22 P 0.27703637771027 0.49902584307777 0.68716526289042 30.974 23 P 0.27703637771027 0.00097415692223 0.18716526289042 30.974 24 P 0.72296362228973 0.50097415692223 0.31283473710958 30.974 *25 P 0.03519125849204 0.35423881989354 0.64480903275657 30.974 26 P 0.96480874150796 0.85423881989354 0.85519096724343 30.974 27 P 0.96480874150796 0.64576118010646 0.35519096724343 30.974 28 P 0.03519125849204 0.14576118010646 0.14480903275657 30.974 *29 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 30 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 *31 Sr 0.17566017498586 0.15766937086499 0.87658298321511 87.620 32 Sr 0.82433982501414 0.65766937086499 0.62341701678489 87.620 33 Sr 0.82433982501414 0.84233062913501 0.12341701678489 87.620 34 Sr 0.17566017498586 0.34233062913501 0.37658298321511 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.267631630462721 0.000000000000000 0.000000000000000 b 0.000000000000000 12.609061240000001 0.000000000000000 c -6.234755839525284 0.000000000000000 9.491895640185030 Atomic positions (fractional): *1 P 0.63419462402806 0.31545914423894 0.96333299237126 30.974 > 1 2 P 0.36580537597194 0.81545914423894 0.53666700762874 30.974 > 2 3 P 0.36580537597194 0.68454085576106 0.03666700762874 30.974 > 3 4 P 0.63419462402806 0.18454085576106 0.46333299237126 30.974 > 4 *5 P 0.30550023237807 0.41820467674754 0.86972072808325 30.974 > 5 6 P 0.69449976762193 0.91820467674754 0.63027927191675 30.974 > 6 7 P 0.69449976762193 0.58179532325246 0.13027927191675 30.974 > 7 8 P 0.30550023237807 0.08179532325246 0.36972072808325 30.974 > 8 *9 P 0.63951108810127 0.28650194109386 0.77387366587858 30.974 > 9 10 P 0.36048891189873 0.78650194109386 0.72612633412142 30.974 > 10 11 P 0.36048891189873 0.71349805890614 0.22612633412142 30.974 > 11 12 P 0.63951108810127 0.21349805890614 0.27387366587858 30.974 > 12 *13 P 0.59506645946262 0.44362673241668 0.67753580184913 30.974 > 13 14 P 0.40493354053738 0.94362673241668 0.82246419815087 30.974 > 14 15 P 0.40493354053738 0.55637326758332 0.32246419815087 30.974 > 15 16 P 0.59506645946262 0.05637326758332 0.17753580184913 30.974 > 16 *17 P 0.25248183183319 0.22390741613396 0.63513501442979 30.974 > 17 18 P 0.74751816816681 0.72390741613396 0.86486498557021 30.974 > 18 19 P 0.74751816816681 0.77609258386604 0.36486498557021 30.974 > 19 20 P 0.25248183183319 0.27609258386604 0.13513501442979 30.974 > 20 *21 P 0.72296362228973 0.99902584307777 0.81283473710958 30.974 > 21 22 P 0.27703637771027 0.49902584307777 0.68716526289042 30.974 > 22 23 P 0.27703637771027 0.00097415692223 0.18716526289042 30.974 > 23 24 P 0.72296362228973 0.50097415692223 0.31283473710958 30.974 > 24 *25 P 0.03519125849204 0.35423881989354 0.64480903275657 30.974 > 25 26 P 0.96480874150796 0.85423881989354 0.85519096724343 30.974 > 26 27 P 0.96480874150796 0.64576118010646 0.35519096724343 30.974 > 27 28 P 0.03519125849204 0.14576118010646 0.14480903275657 30.974 > 28 *29 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 > 29 30 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 > 30 *31 Sr 0.17566017498586 0.15766937086499 0.87658298321511 87.620 > 31 32 Sr 0.82433982501414 0.65766937086499 0.62341701678489 87.620 > 32 33 Sr 0.82433982501414 0.84233062913501 0.12341701678489 87.620 > 33 34 Sr 0.17566017498586 0.34233062913501 0.37658298321511 87.620 > 34 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.535263260925442 0.000000000000000 0.000000000000000 b 0.000000000000000 12.609061240000001 0.000000000000000 c -12.469511679050568 0.000000000000000 18.983791280370060 Atomic positions (fractional): *1 P 0.31709731201403 0.31545914423894 0.48166649618563 30.974 > 1 2 P 0.81709731201403 0.31545914423894 0.48166649618563 30.974 > 1 3 P 0.31709731201403 0.31545914423894 0.98166649618563 30.974 > 1 4 P 0.81709731201403 0.31545914423894 0.98166649618563 30.974 > 1 5 P 0.18290268798597 0.81545914423894 0.26833350381437 30.974 > 2 6 P 0.68290268798597 0.81545914423894 0.26833350381437 30.974 > 2 7 P 0.18290268798597 0.81545914423894 0.76833350381437 30.974 > 2 8 P 0.68290268798597 0.81545914423894 0.76833350381437 30.974 > 2 9 P 0.18290268798597 0.68454085576106 0.01833350381437 30.974 > 3 10 P 0.68290268798597 0.68454085576106 0.01833350381437 30.974 > 3 11 P 0.18290268798597 0.68454085576106 0.51833350381437 30.974 > 3 12 P 0.68290268798597 0.68454085576106 0.51833350381437 30.974 > 3 13 P 0.31709731201403 0.18454085576106 0.23166649618563 30.974 > 4 14 P 0.81709731201403 0.18454085576106 0.23166649618563 30.974 > 4 15 P 0.31709731201403 0.18454085576106 0.73166649618563 30.974 > 4 16 P 0.81709731201403 0.18454085576106 0.73166649618563 30.974 > 4 *17 P 0.15275011618903 0.41820467674754 0.43486036404162 30.974 > 5 18 P 0.65275011618903 0.41820467674754 0.43486036404162 30.974 > 5 19 P 0.15275011618903 0.41820467674754 0.93486036404162 30.974 > 5 20 P 0.65275011618903 0.41820467674754 0.93486036404162 30.974 > 5 21 P 0.34724988381097 0.91820467674754 0.31513963595838 30.974 > 6 22 P 0.84724988381097 0.91820467674754 0.31513963595838 30.974 > 6 23 P 0.34724988381097 0.91820467674754 0.81513963595838 30.974 > 6 24 P 0.84724988381097 0.91820467674754 0.81513963595838 30.974 > 6 25 P 0.34724988381097 0.58179532325246 0.06513963595838 30.974 > 7 26 P 0.84724988381097 0.58179532325246 0.06513963595838 30.974 > 7 27 P 0.34724988381097 0.58179532325246 0.56513963595838 30.974 > 7 28 P 0.84724988381097 0.58179532325246 0.56513963595838 30.974 > 7 29 P 0.15275011618903 0.08179532325246 0.18486036404163 30.974 > 8 30 P 0.65275011618903 0.08179532325246 0.18486036404163 30.974 > 8 31 P 0.15275011618903 0.08179532325246 0.68486036404162 30.974 > 8 32 P 0.65275011618903 0.08179532325246 0.68486036404162 30.974 > 8 *33 P 0.31975554405064 0.28650194109386 0.38693683293929 30.974 > 9 34 P 0.81975554405064 0.28650194109386 0.38693683293929 30.974 > 9 35 P 0.31975554405064 0.28650194109386 0.88693683293929 30.974 > 9 36 P 0.81975554405064 0.28650194109386 0.88693683293929 30.974 > 9 37 P 0.18024445594936 0.78650194109386 0.36306316706071 30.974 > 10 38 P 0.68024445594936 0.78650194109386 0.36306316706071 30.974 > 10 39 P 0.18024445594936 0.78650194109386 0.86306316706071 30.974 > 10 40 P 0.68024445594936 0.78650194109386 0.86306316706071 30.974 > 10 41 P 0.18024445594936 0.71349805890614 0.11306316706071 30.974 > 11 42 P 0.68024445594936 0.71349805890614 0.11306316706071 30.974 > 11 43 P 0.18024445594936 0.71349805890614 0.61306316706071 30.974 > 11 44 P 0.68024445594936 0.71349805890614 0.61306316706071 30.974 > 11 45 P 0.31975554405064 0.21349805890614 0.13693683293929 30.974 > 12 46 P 0.81975554405064 0.21349805890614 0.13693683293929 30.974 > 12 47 P 0.31975554405064 0.21349805890614 0.63693683293929 30.974 > 12 48 P 0.81975554405064 0.21349805890614 0.63693683293929 30.974 > 12 *49 P 0.29753322973131 0.44362673241668 0.33876790092456 30.974 > 13 50 P 0.79753322973131 0.44362673241668 0.33876790092456 30.974 > 13 51 P 0.29753322973131 0.44362673241668 0.83876790092456 30.974 > 13 52 P 0.79753322973131 0.44362673241668 0.83876790092456 30.974 > 13 53 P 0.20246677026869 0.94362673241668 0.41123209907544 30.974 > 14 54 P 0.70246677026869 0.94362673241668 0.41123209907544 30.974 > 14 55 P 0.20246677026869 0.94362673241668 0.91123209907544 30.974 > 14 56 P 0.70246677026869 0.94362673241668 0.91123209907544 30.974 > 14 57 P 0.20246677026869 0.55637326758332 0.16123209907544 30.974 > 15 58 P 0.70246677026869 0.55637326758332 0.16123209907544 30.974 > 15 59 P 0.20246677026869 0.55637326758332 0.66123209907544 30.974 > 15 60 P 0.70246677026869 0.55637326758332 0.66123209907544 30.974 > 15 61 P 0.29753322973131 0.05637326758332 0.08876790092456 30.974 > 16 62 P 0.79753322973131 0.05637326758332 0.08876790092456 30.974 > 16 63 P 0.29753322973131 0.05637326758332 0.58876790092456 30.974 > 16 64 P 0.79753322973131 0.05637326758332 0.58876790092456 30.974 > 16 *65 P 0.12624091591659 0.22390741613396 0.31756750721490 30.974 > 17 66 P 0.62624091591659 0.22390741613396 0.31756750721490 30.974 > 17 67 P 0.12624091591659 0.22390741613396 0.81756750721490 30.974 > 17 68 P 0.62624091591659 0.22390741613396 0.81756750721490 30.974 > 17 69 P 0.37375908408341 0.72390741613396 0.43243249278510 30.974 > 18 70 P 0.87375908408341 0.72390741613396 0.43243249278510 30.974 > 18 71 P 0.37375908408341 0.72390741613396 0.93243249278510 30.974 > 18 72 P 0.87375908408341 0.72390741613396 0.93243249278510 30.974 > 18 73 P 0.37375908408341 0.77609258386604 0.18243249278510 30.974 > 19 74 P 0.87375908408341 0.77609258386604 0.18243249278510 30.974 > 19 75 P 0.37375908408341 0.77609258386604 0.68243249278510 30.974 > 19 76 P 0.87375908408341 0.77609258386604 0.68243249278510 30.974 > 19 77 P 0.12624091591659 0.27609258386604 0.06756750721490 30.974 > 20 78 P 0.62624091591659 0.27609258386604 0.06756750721490 30.974 > 20 79 P 0.12624091591659 0.27609258386604 0.56756750721490 30.974 > 20 80 P 0.62624091591659 0.27609258386604 0.56756750721490 30.974 > 20 *81 P 0.36148181114486 0.99902584307777 0.40641736855479 30.974 > 21 82 P 0.86148181114486 0.99902584307777 0.40641736855479 30.974 > 21 83 P 0.36148181114486 0.99902584307777 0.90641736855479 30.974 > 21 84 P 0.86148181114486 0.99902584307777 0.90641736855479 30.974 > 21 85 P 0.13851818885514 0.49902584307777 0.34358263144521 30.974 > 22 86 P 0.63851818885514 0.49902584307777 0.34358263144521 30.974 > 22 87 P 0.13851818885514 0.49902584307777 0.84358263144521 30.974 > 22 88 P 0.63851818885514 0.49902584307777 0.84358263144521 30.974 > 22 89 P 0.13851818885514 0.00097415692223 0.09358263144521 30.974 > 23 90 P 0.63851818885514 0.00097415692223 0.09358263144521 30.974 > 23 91 P 0.13851818885514 0.00097415692223 0.59358263144521 30.974 > 23 92 P 0.63851818885514 0.00097415692223 0.59358263144521 30.974 > 23 93 P 0.36148181114486 0.50097415692223 0.15641736855479 30.974 > 24 94 P 0.86148181114486 0.50097415692223 0.15641736855479 30.974 > 24 95 P 0.36148181114486 0.50097415692223 0.65641736855479 30.974 > 24 96 P 0.86148181114486 0.50097415692223 0.65641736855479 30.974 > 24 *97 P 0.01759562924602 0.35423881989354 0.32240451637828 30.974 > 25 98 P 0.51759562924602 0.35423881989354 0.32240451637828 30.974 > 25 99 P 0.01759562924602 0.35423881989354 0.82240451637828 30.974 > 25 100 P 0.51759562924602 0.35423881989354 0.82240451637828 30.974 > 25 101 P 0.48240437075398 0.85423881989354 0.42759548362172 30.974 > 26 102 P 0.98240437075398 0.85423881989354 0.42759548362172 30.974 > 26 103 P 0.48240437075398 0.85423881989354 0.92759548362172 30.974 > 26 104 P 0.98240437075398 0.85423881989354 0.92759548362172 30.974 > 26 105 P 0.48240437075398 0.64576118010646 0.17759548362172 30.974 > 27 106 P 0.98240437075398 0.64576118010646 0.17759548362172 30.974 > 27 107 P 0.48240437075398 0.64576118010646 0.67759548362172 30.974 > 27 108 P 0.98240437075398 0.64576118010646 0.67759548362172 30.974 > 27 109 P 0.01759562924602 0.14576118010646 0.07240451637829 30.974 > 28 110 P 0.51759562924602 0.14576118010646 0.07240451637829 30.974 > 28 111 P 0.01759562924602 0.14576118010646 0.57240451637829 30.974 > 28 112 P 0.51759562924602 0.14576118010646 0.57240451637829 30.974 > 28 *113 Sr 0.00000000000000 0.00000000000000 0.25000000000000 87.620 > 29 114 Sr 0.50000000000000 0.00000000000000 0.25000000000000 87.620 > 29 115 Sr 0.00000000000000 0.00000000000000 0.75000000000000 87.620 > 29 116 Sr 0.50000000000000 0.00000000000000 0.75000000000000 87.620 > 29 117 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 > 30 118 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 > 30 119 Sr 0.00000000000000 0.50000000000000 0.50000000000000 87.620 > 30 120 Sr 0.50000000000000 0.50000000000000 0.50000000000000 87.620 > 30 *121 Sr 0.08783008749293 0.15766937086499 0.43829149160755 87.620 > 31 122 Sr 0.58783008749293 0.15766937086499 0.43829149160755 87.620 > 31 123 Sr 0.08783008749293 0.15766937086499 0.93829149160755 87.620 > 31 124 Sr 0.58783008749293 0.15766937086499 0.93829149160755 87.620 > 31 125 Sr 0.41216991250707 0.65766937086499 0.31170850839245 87.620 > 32 126 Sr 0.91216991250707 0.65766937086499 0.31170850839245 87.620 > 32 127 Sr 0.41216991250707 0.65766937086499 0.81170850839245 87.620 > 32 128 Sr 0.91216991250707 0.65766937086499 0.81170850839245 87.620 > 32 129 Sr 0.41216991250707 0.84233062913501 0.06170850839245 87.620 > 33 130 Sr 0.91216991250707 0.84233062913501 0.06170850839245 87.620 > 33 131 Sr 0.41216991250707 0.84233062913501 0.56170850839245 87.620 > 33 132 Sr 0.91216991250707 0.84233062913501 0.56170850839245 87.620 > 33 133 Sr 0.08783008749293 0.34233062913501 0.18829149160755 87.620 > 34 134 Sr 0.58783008749293 0.34233062913501 0.18829149160755 87.620 > 34 135 Sr 0.08783008749293 0.34233062913501 0.68829149160755 87.620 > 34 136 Sr 0.58783008749293 0.34233062913501 0.68829149160755 87.620 > 34 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.3586606 0.0000000 0.6932691 0.0000000 9.0385019 0.0000000 0.6932681 0.0000000 10.4122355 -------------------------- Born effective charges -------------------------- 1 P -1.4876535 -0.1331367 0.0369832 -0.3362113 -0.9599823 -0.2968191 -0.1059806 -0.2886503 -0.9194325 2 P -1.4876535 0.1331367 0.0369832 0.3362113 -0.9599823 0.2968191 -0.1059806 0.2886503 -0.9194325 3 P -1.4876535 -0.1331367 0.0369832 -0.3362113 -0.9599823 -0.2968191 -0.1059806 -0.2886503 -0.9194325 4 P -1.4876535 0.1331367 0.0369832 0.3362113 -0.9599823 0.2968191 -0.1059806 0.2886503 -0.9194325 5 P -0.4042101 0.0393504 0.3547202 0.2017050 -0.0817017 0.1591007 0.5004920 0.0167541 -0.7839144 6 P -0.4042101 -0.0393504 0.3547202 -0.2017050 -0.0817017 -0.1591007 0.5004920 -0.0167541 -0.7839144 7 P -0.4042101 0.0393504 0.3547202 0.2017050 -0.0817017 0.1591007 0.5004920 0.0167541 -0.7839144 8 P -0.4042101 -0.0393504 0.3547202 -0.2017050 -0.0817017 -0.1591007 0.5004920 -0.0167541 -0.7839144 9 P -0.3956802 0.4643614 -0.4253725 0.1582276 0.1866828 -0.1256790 -0.3152099 -0.2123462 0.6161688 10 P -0.3956802 -0.4643614 -0.4253725 -0.1582276 0.1866828 0.1256790 -0.3152099 0.2123462 0.6161688 11 P -0.3956802 0.4643614 -0.4253725 0.1582276 0.1866828 -0.1256790 -0.3152099 -0.2123462 0.6161688 12 P -0.3956802 -0.4643614 -0.4253725 -0.1582276 0.1866828 0.1256790 -0.3152099 0.2123462 0.6161688 13 P -0.5090825 -0.4731189 -0.1274313 -0.3640988 -1.3963106 0.0931787 -0.2909588 -0.0072112 -1.4266507 14 P -0.5090825 0.4731189 -0.1274313 0.3640988 -1.3963106 -0.0931787 -0.2909588 0.0072112 -1.4266507 15 P -0.5090825 -0.4731189 -0.1274313 -0.3640988 -1.3963106 0.0931787 -0.2909588 -0.0072112 -1.4266507 16 P -0.5090825 0.4731189 -0.1274313 0.3640988 -1.3963106 -0.0931787 -0.2909588 0.0072112 -1.4266507 17 P -1.1209745 0.1554217 0.3472731 0.0936839 -1.3784716 -0.0799370 0.3869297 0.0406382 -1.2766033 18 P -1.1209745 -0.1554217 0.3472731 -0.0936839 -1.3784716 0.0799370 0.3869297 -0.0406382 -1.2766033 19 P -1.1209745 0.1554217 0.3472731 0.0936839 -1.3784716 -0.0799370 0.3869297 0.0406382 -1.2766033 20 P -1.1209745 -0.1554217 0.3472731 -0.0936839 -1.3784716 0.0799370 0.3869297 -0.0406382 -1.2766033 21 P -0.4328088 0.0673542 -0.1307464 -0.1043579 -0.7176428 -0.0427950 -0.0534334 -0.2953673 -0.0791322 22 P -0.4328088 -0.0673542 -0.1307464 0.1043579 -0.7176428 0.0427950 -0.0534334 0.2953673 -0.0791322 23 P -0.4328088 0.0673542 -0.1307464 -0.1043579 -0.7176428 -0.0427950 -0.0534334 -0.2953673 -0.0791322 24 P -0.4328088 -0.0673542 -0.1307464 0.1043579 -0.7176428 0.0427950 -0.0534334 0.2953673 -0.0791322 25 P 0.1680677 -0.1502567 -0.0728256 0.0034221 -0.0016582 0.1471859 -0.0269040 -0.1487076 -0.3930414 26 P 0.1680677 0.1502567 -0.0728256 -0.0034221 -0.0016582 -0.1471859 -0.0269040 0.1487076 -0.3930414 27 P 0.1680677 -0.1502567 -0.0728256 0.0034221 -0.0016582 0.1471859 -0.0269040 -0.1487076 -0.3930414 28 P 0.1680677 0.1502567 -0.0728256 -0.0034221 -0.0016582 -0.1471859 -0.0269040 0.1487076 -0.3930414 29 Sr 2.9863957 -0.2783175 0.5748476 0.0270573 3.3257698 -0.5974278 0.4326044 -0.3445268 2.7581114 30 Sr 2.9863957 0.2783175 0.5748476 -0.0270573 3.3257698 0.5974278 0.4326044 0.3445268 2.7581114 31 Sr 2.6891439 0.3723836 -0.2700245 0.3456746 2.6861995 -0.0811123 -0.3112372 -0.1526760 2.8835500 32 Sr 2.6891439 -0.3723836 -0.2700245 -0.3456746 2.6861995 0.0811123 -0.3112372 0.1526760 2.8835500 33 Sr 2.6891439 0.3723836 -0.2700245 0.3456746 2.6861995 -0.0811123 -0.3112372 -0.1526760 2.8835500 34 Sr 2.6891439 -0.3723836 -0.2700245 -0.3456746 2.6861995 0.0811123 -0.3112372 0.1526760 2.8835500 ---------------------------------------------------------------------------- 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: 408/408 Permutation basis: 21216/21216 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5364 Number of blocks in projector: 5364 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: 1158 Use submatrix version of eigh solver. (1) Block: 500 / 1158 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1158 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1158 / 1158 (1) 145 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 27 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1158 Use submatrix version of eigh solver. (1) Block: 500 / 1158 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1158 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1158 / 1158 (1) 145 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 27 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1158 Use submatrix version of eigh solver. (1) Block: 500 / 1158 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1158 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1158 / 1158 (1) 151 eigenvectors found. (1) Complementary block size: 37 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 630 Use submatrix version of eigh solver. (1) Block: 500 / 630 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 630 / 630 (1) 121 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 630 Use submatrix version of eigh solver. (1) Block: 500 / 630 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 630 / 630 (1) 121 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 630 Use submatrix version of eigh solver. (1) Block: 500 / 630 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 630 / 630 (1) 121 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5364, 5284), data: False |-- (630, 621), data: False |-- (630, 9), data: (630, 18) @ (18, 9) |-- (130, 121), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (630, 621), data: False |-- (630, 9), data: (630, 18) @ (18, 9) |-- (130, 121), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (630, 621), data: False |-- (630, 9), data: (630, 18) @ (18, 9) |-- (130, 121), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1158, 1141), data: False |-- (1158, 20), data: (1158, 37) @ (37, 20) |-- (158, 151), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1158, 1140), data: False |-- (1158, 27), data: (1158, 45) @ (45, 27) |-- (158, 145), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1158, 1140), data: False |-- (1158, 27), data: (1158, 45) @ (45, 27) |-- (158, 145), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 136 / 136 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1040 - Time: 1.712 Solver_block: 200 / 1040 - Time: 1.543 Solver_block: 300 / 1040 - Time: 1.557 Solver_block: 400 / 1040 - Time: 1.565 Solver_block: 500 / 1040 - Time: 1.577 Solver_block: 600 / 1040 - Time: 1.581 Solver_block: 700 / 1040 - Time: 1.581 Solver_block: 800 / 1040 - Time: 1.577 Solver_block: 900 / 1040 - Time: 1.583 Solver_block: 1000 / 1040 - Time: 1.580 Solver_block: 1040 / 1040 - Time: 0.701 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 16.997 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yx) 0.00000000 (yx) Permutation basis: 408/408 Permutation basis: 21216/21216 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5364 Number of blocks in projector: 5364 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: 1158 Use submatrix version of eigh solver. (1) Block: 500 / 1158 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1158 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1158 / 1158 (1) 145 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 27 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1158 Use submatrix version of eigh solver. (1) Block: 500 / 1158 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1158 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1158 / 1158 (1) 145 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 27 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1158 Use submatrix version of eigh solver. (1) Block: 500 / 1158 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1158 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1158 / 1158 (1) 151 eigenvectors found. (1) Complementary block size: 37 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 630 Use submatrix version of eigh solver. (1) Block: 500 / 630 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 630 / 630 (1) 121 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 630 Use submatrix version of eigh solver. (1) Block: 500 / 630 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 630 / 630 (1) 121 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 630 Use submatrix version of eigh solver. (1) Block: 500 / 630 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 630 / 630 (1) 121 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5364, 5284), data: False |-- (630, 621), data: False |-- (630, 9), data: (630, 18) @ (18, 9) |-- (130, 121), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (630, 621), data: False |-- (630, 9), data: (630, 18) @ (18, 9) |-- (130, 121), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (630, 621), data: False |-- (630, 9), data: (630, 18) @ (18, 9) |-- (130, 121), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1158, 1141), data: False |-- (1158, 20), data: (1158, 37) @ (37, 20) |-- (158, 151), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1158, 1140), data: False |-- (1158, 27), data: (1158, 45) @ (45, 27) |-- (158, 145), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1158, 1140), data: False |-- (1158, 27), data: (1158, 45) @ (45, 27) |-- (158, 145), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yx) -0.00000000 (yx) 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 2026-01-07 19:00:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:00:35]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.267631630462721 0.000000000000000 0.000000000000000 b 0.000000000000000 12.609061240000001 0.000000000000000 c -6.234755839525284 0.000000000000000 9.491895640185030 Atomic positions (fractional): 1 P 0.63419462402806 0.31545914423894 0.96333299237126 30.974 2 P 0.36580537597194 0.81545914423894 0.53666700762874 30.974 3 P 0.36580537597194 0.68454085576106 0.03666700762874 30.974 4 P 0.63419462402806 0.18454085576106 0.46333299237126 30.974 5 P 0.30550023237807 0.41820467674754 0.86972072808325 30.974 6 P 0.69449976762193 0.91820467674754 0.63027927191675 30.974 7 P 0.69449976762193 0.58179532325246 0.13027927191675 30.974 8 P 0.30550023237807 0.08179532325246 0.36972072808325 30.974 9 P 0.63951108810127 0.28650194109386 0.77387366587858 30.974 10 P 0.36048891189873 0.78650194109386 0.72612633412142 30.974 11 P 0.36048891189873 0.71349805890614 0.22612633412142 30.974 12 P 0.63951108810127 0.21349805890614 0.27387366587858 30.974 13 P 0.59506645946262 0.44362673241668 0.67753580184913 30.974 14 P 0.40493354053738 0.94362673241668 0.82246419815087 30.974 15 P 0.40493354053738 0.55637326758332 0.32246419815087 30.974 16 P 0.59506645946262 0.05637326758332 0.17753580184913 30.974 17 P 0.25248183183319 0.22390741613396 0.63513501442979 30.974 18 P 0.74751816816681 0.72390741613396 0.86486498557021 30.974 19 P 0.74751816816681 0.77609258386604 0.36486498557021 30.974 20 P 0.25248183183319 0.27609258386604 0.13513501442979 30.974 21 P 0.72296362228973 0.99902584307777 0.81283473710958 30.974 22 P 0.27703637771027 0.49902584307777 0.68716526289042 30.974 23 P 0.27703637771027 0.00097415692223 0.18716526289042 30.974 24 P 0.72296362228973 0.50097415692223 0.31283473710958 30.974 25 P 0.03519125849204 0.35423881989354 0.64480903275657 30.974 26 P 0.96480874150796 0.85423881989354 0.85519096724343 30.974 27 P 0.96480874150796 0.64576118010646 0.35519096724343 30.974 28 P 0.03519125849204 0.14576118010646 0.14480903275657 30.974 29 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 30 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 31 Sr 0.17566017498586 0.15766937086499 0.87658298321511 87.620 32 Sr 0.82433982501414 0.65766937086499 0.62341701678489 87.620 33 Sr 0.82433982501414 0.84233062913501 0.12341701678489 87.620 34 Sr 0.17566017498586 0.34233062913501 0.37658298321511 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.535263260925442 0.000000000000000 0.000000000000000 b 0.000000000000000 12.609061240000001 0.000000000000000 c -12.469511679050568 0.000000000000000 18.983791280370060 Atomic positions (fractional): 1 P 0.31709731201403 0.31545914423894 0.48166649618563 30.974 > 1 2 P 0.81709731201403 0.31545914423894 0.48166649618563 30.974 > 1 3 P 0.31709731201403 0.31545914423894 0.98166649618563 30.974 > 1 4 P 0.81709731201403 0.31545914423894 0.98166649618563 30.974 > 1 5 P 0.18290268798597 0.81545914423894 0.26833350381437 30.974 > 5 6 P 0.68290268798597 0.81545914423894 0.26833350381437 30.974 > 5 7 P 0.18290268798597 0.81545914423894 0.76833350381437 30.974 > 5 8 P 0.68290268798597 0.81545914423894 0.76833350381437 30.974 > 5 9 P 0.18290268798597 0.68454085576106 0.01833350381437 30.974 > 9 10 P 0.68290268798597 0.68454085576106 0.01833350381437 30.974 > 9 11 P 0.18290268798597 0.68454085576106 0.51833350381437 30.974 > 9 12 P 0.68290268798597 0.68454085576106 0.51833350381437 30.974 > 9 13 P 0.31709731201403 0.18454085576106 0.23166649618563 30.974 > 13 14 P 0.81709731201403 0.18454085576106 0.23166649618563 30.974 > 13 15 P 0.31709731201403 0.18454085576106 0.73166649618563 30.974 > 13 16 P 0.81709731201403 0.18454085576106 0.73166649618563 30.974 > 13 17 P 0.15275011618903 0.41820467674754 0.43486036404162 30.974 > 17 18 P 0.65275011618903 0.41820467674754 0.43486036404162 30.974 > 17 19 P 0.15275011618903 0.41820467674754 0.93486036404162 30.974 > 17 20 P 0.65275011618903 0.41820467674754 0.93486036404162 30.974 > 17 21 P 0.34724988381097 0.91820467674754 0.31513963595838 30.974 > 21 22 P 0.84724988381097 0.91820467674754 0.31513963595838 30.974 > 21 23 P 0.34724988381097 0.91820467674754 0.81513963595838 30.974 > 21 24 P 0.84724988381097 0.91820467674754 0.81513963595838 30.974 > 21 25 P 0.34724988381097 0.58179532325246 0.06513963595838 30.974 > 25 26 P 0.84724988381097 0.58179532325246 0.06513963595838 30.974 > 25 27 P 0.34724988381097 0.58179532325246 0.56513963595838 30.974 > 25 28 P 0.84724988381097 0.58179532325246 0.56513963595838 30.974 > 25 29 P 0.15275011618903 0.08179532325246 0.18486036404163 30.974 > 29 30 P 0.65275011618903 0.08179532325246 0.18486036404163 30.974 > 29 31 P 0.15275011618903 0.08179532325246 0.68486036404162 30.974 > 29 32 P 0.65275011618903 0.08179532325246 0.68486036404162 30.974 > 29 33 P 0.31975554405064 0.28650194109386 0.38693683293929 30.974 > 33 34 P 0.81975554405064 0.28650194109386 0.38693683293929 30.974 > 33 35 P 0.31975554405064 0.28650194109386 0.88693683293929 30.974 > 33 36 P 0.81975554405064 0.28650194109386 0.88693683293929 30.974 > 33 37 P 0.18024445594936 0.78650194109386 0.36306316706071 30.974 > 37 38 P 0.68024445594936 0.78650194109386 0.36306316706071 30.974 > 37 39 P 0.18024445594936 0.78650194109386 0.86306316706071 30.974 > 37 40 P 0.68024445594936 0.78650194109386 0.86306316706071 30.974 > 37 41 P 0.18024445594936 0.71349805890614 0.11306316706071 30.974 > 41 42 P 0.68024445594936 0.71349805890614 0.11306316706071 30.974 > 41 43 P 0.18024445594936 0.71349805890614 0.61306316706071 30.974 > 41 44 P 0.68024445594936 0.71349805890614 0.61306316706071 30.974 > 41 45 P 0.31975554405064 0.21349805890614 0.13693683293929 30.974 > 45 46 P 0.81975554405064 0.21349805890614 0.13693683293929 30.974 > 45 47 P 0.31975554405064 0.21349805890614 0.63693683293929 30.974 > 45 48 P 0.81975554405064 0.21349805890614 0.63693683293929 30.974 > 45 49 P 0.29753322973131 0.44362673241668 0.33876790092456 30.974 > 49 50 P 0.79753322973131 0.44362673241668 0.33876790092456 30.974 > 49 51 P 0.29753322973131 0.44362673241668 0.83876790092456 30.974 > 49 52 P 0.79753322973131 0.44362673241668 0.83876790092456 30.974 > 49 53 P 0.20246677026869 0.94362673241668 0.41123209907544 30.974 > 53 54 P 0.70246677026869 0.94362673241668 0.41123209907544 30.974 > 53 55 P 0.20246677026869 0.94362673241668 0.91123209907544 30.974 > 53 56 P 0.70246677026869 0.94362673241668 0.91123209907544 30.974 > 53 57 P 0.20246677026869 0.55637326758332 0.16123209907544 30.974 > 57 58 P 0.70246677026869 0.55637326758332 0.16123209907544 30.974 > 57 59 P 0.20246677026869 0.55637326758332 0.66123209907544 30.974 > 57 60 P 0.70246677026869 0.55637326758332 0.66123209907544 30.974 > 57 61 P 0.29753322973131 0.05637326758332 0.08876790092456 30.974 > 61 62 P 0.79753322973131 0.05637326758332 0.08876790092456 30.974 > 61 63 P 0.29753322973131 0.05637326758332 0.58876790092456 30.974 > 61 64 P 0.79753322973131 0.05637326758332 0.58876790092456 30.974 > 61 65 P 0.12624091591659 0.22390741613396 0.31756750721490 30.974 > 65 66 P 0.62624091591659 0.22390741613396 0.31756750721490 30.974 > 65 67 P 0.12624091591659 0.22390741613396 0.81756750721490 30.974 > 65 68 P 0.62624091591659 0.22390741613396 0.81756750721490 30.974 > 65 69 P 0.37375908408341 0.72390741613396 0.43243249278510 30.974 > 69 70 P 0.87375908408341 0.72390741613396 0.43243249278510 30.974 > 69 71 P 0.37375908408341 0.72390741613396 0.93243249278510 30.974 > 69 72 P 0.87375908408341 0.72390741613396 0.93243249278510 30.974 > 69 73 P 0.37375908408341 0.77609258386604 0.18243249278510 30.974 > 73 74 P 0.87375908408341 0.77609258386604 0.18243249278510 30.974 > 73 75 P 0.37375908408341 0.77609258386604 0.68243249278510 30.974 > 73 76 P 0.87375908408341 0.77609258386604 0.68243249278510 30.974 > 73 77 P 0.12624091591659 0.27609258386604 0.06756750721490 30.974 > 77 78 P 0.62624091591659 0.27609258386604 0.06756750721490 30.974 > 77 79 P 0.12624091591659 0.27609258386604 0.56756750721490 30.974 > 77 80 P 0.62624091591659 0.27609258386604 0.56756750721490 30.974 > 77 81 P 0.36148181114486 0.99902584307777 0.40641736855479 30.974 > 81 82 P 0.86148181114486 0.99902584307777 0.40641736855479 30.974 > 81 83 P 0.36148181114486 0.99902584307777 0.90641736855479 30.974 > 81 84 P 0.86148181114486 0.99902584307777 0.90641736855479 30.974 > 81 85 P 0.13851818885514 0.49902584307777 0.34358263144521 30.974 > 85 86 P 0.63851818885514 0.49902584307777 0.34358263144521 30.974 > 85 87 P 0.13851818885514 0.49902584307777 0.84358263144521 30.974 > 85 88 P 0.63851818885514 0.49902584307777 0.84358263144521 30.974 > 85 89 P 0.13851818885514 0.00097415692223 0.09358263144521 30.974 > 89 90 P 0.63851818885514 0.00097415692223 0.09358263144521 30.974 > 89 91 P 0.13851818885514 0.00097415692223 0.59358263144521 30.974 > 89 92 P 0.63851818885514 0.00097415692223 0.59358263144521 30.974 > 89 93 P 0.36148181114486 0.50097415692223 0.15641736855479 30.974 > 93 94 P 0.86148181114486 0.50097415692223 0.15641736855479 30.974 > 93 95 P 0.36148181114486 0.50097415692223 0.65641736855479 30.974 > 93 96 P 0.86148181114486 0.50097415692223 0.65641736855479 30.974 > 93 97 P 0.01759562924602 0.35423881989354 0.32240451637828 30.974 > 97 98 P 0.51759562924602 0.35423881989354 0.32240451637828 30.974 > 97 99 P 0.01759562924602 0.35423881989354 0.82240451637828 30.974 > 97 100 P 0.51759562924602 0.35423881989354 0.82240451637828 30.974 > 97 101 P 0.48240437075398 0.85423881989354 0.42759548362172 30.974 > 101 102 P 0.98240437075398 0.85423881989354 0.42759548362172 30.974 > 101 103 P 0.48240437075398 0.85423881989354 0.92759548362172 30.974 > 101 104 P 0.98240437075398 0.85423881989354 0.92759548362172 30.974 > 101 105 P 0.48240437075398 0.64576118010646 0.17759548362172 30.974 > 105 106 P 0.98240437075398 0.64576118010646 0.17759548362172 30.974 > 105 107 P 0.48240437075398 0.64576118010646 0.67759548362172 30.974 > 105 108 P 0.98240437075398 0.64576118010646 0.67759548362172 30.974 > 105 109 P 0.01759562924602 0.14576118010646 0.07240451637829 30.974 > 109 110 P 0.51759562924602 0.14576118010646 0.07240451637829 30.974 > 109 111 P 0.01759562924602 0.14576118010646 0.57240451637829 30.974 > 109 112 P 0.51759562924602 0.14576118010646 0.57240451637829 30.974 > 109 113 Sr 0.00000000000000 0.00000000000000 0.25000000000000 87.620 > 113 114 Sr 0.50000000000000 0.00000000000000 0.25000000000000 87.620 > 113 115 Sr 0.00000000000000 0.00000000000000 0.75000000000000 87.620 > 113 116 Sr 0.50000000000000 0.00000000000000 0.75000000000000 87.620 > 113 117 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 > 117 118 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 > 117 119 Sr 0.00000000000000 0.50000000000000 0.50000000000000 87.620 > 117 120 Sr 0.50000000000000 0.50000000000000 0.50000000000000 87.620 > 117 121 Sr 0.08783008749293 0.15766937086499 0.43829149160755 87.620 > 121 122 Sr 0.58783008749293 0.15766937086499 0.43829149160755 87.620 > 121 123 Sr 0.08783008749293 0.15766937086499 0.93829149160755 87.620 > 121 124 Sr 0.58783008749293 0.15766937086499 0.93829149160755 87.620 > 121 125 Sr 0.41216991250707 0.65766937086499 0.31170850839245 87.620 > 125 126 Sr 0.91216991250707 0.65766937086499 0.31170850839245 87.620 > 125 127 Sr 0.41216991250707 0.65766937086499 0.81170850839245 87.620 > 125 128 Sr 0.91216991250707 0.65766937086499 0.81170850839245 87.620 > 125 129 Sr 0.41216991250707 0.84233062913501 0.06170850839245 87.620 > 129 130 Sr 0.91216991250707 0.84233062913501 0.06170850839245 87.620 > 129 131 Sr 0.41216991250707 0.84233062913501 0.56170850839245 87.620 > 129 132 Sr 0.91216991250707 0.84233062913501 0.56170850839245 87.620 > 129 133 Sr 0.08783008749293 0.34233062913501 0.18829149160755 87.620 > 133 134 Sr 0.58783008749293 0.34233062913501 0.18829149160755 87.620 > 133 135 Sr 0.08783008749293 0.34233062913501 0.68829149160755 87.620 > 133 136 Sr 0.58783008749293 0.34233062913501 0.68829149160755 87.620 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.3586606 0.0000000 0.6932691 0.0000000 9.0385019 0.0000000 0.6932681 0.0000000 10.4122355 -------------------------- Born effective charges -------------------------- 1 P -1.4876535 -0.1331367 0.0369832 -0.3362113 -0.9599823 -0.2968191 -0.1059806 -0.2886503 -0.9194325 2 P -1.4876535 0.1331367 0.0369832 0.3362113 -0.9599823 0.2968191 -0.1059806 0.2886503 -0.9194325 3 P -1.4876535 -0.1331367 0.0369832 -0.3362113 -0.9599823 -0.2968191 -0.1059806 -0.2886503 -0.9194325 4 P -1.4876535 0.1331367 0.0369832 0.3362113 -0.9599823 0.2968191 -0.1059806 0.2886503 -0.9194325 5 P -0.4042101 0.0393504 0.3547202 0.2017050 -0.0817017 0.1591007 0.5004920 0.0167541 -0.7839144 6 P -0.4042101 -0.0393504 0.3547202 -0.2017050 -0.0817017 -0.1591007 0.5004920 -0.0167541 -0.7839144 7 P -0.4042101 0.0393504 0.3547202 0.2017050 -0.0817017 0.1591007 0.5004920 0.0167541 -0.7839144 8 P -0.4042101 -0.0393504 0.3547202 -0.2017050 -0.0817017 -0.1591007 0.5004920 -0.0167541 -0.7839144 9 P -0.3956802 0.4643614 -0.4253725 0.1582276 0.1866828 -0.1256790 -0.3152099 -0.2123462 0.6161688 10 P -0.3956802 -0.4643614 -0.4253725 -0.1582276 0.1866828 0.1256790 -0.3152099 0.2123462 0.6161688 11 P -0.3956802 0.4643614 -0.4253725 0.1582276 0.1866828 -0.1256790 -0.3152099 -0.2123462 0.6161688 12 P -0.3956802 -0.4643614 -0.4253725 -0.1582276 0.1866828 0.1256790 -0.3152099 0.2123462 0.6161688 13 P -0.5090825 -0.4731189 -0.1274313 -0.3640988 -1.3963106 0.0931787 -0.2909588 -0.0072112 -1.4266507 14 P -0.5090825 0.4731189 -0.1274313 0.3640988 -1.3963106 -0.0931787 -0.2909588 0.0072112 -1.4266507 15 P -0.5090825 -0.4731189 -0.1274313 -0.3640988 -1.3963106 0.0931787 -0.2909588 -0.0072112 -1.4266507 16 P -0.5090825 0.4731189 -0.1274313 0.3640988 -1.3963106 -0.0931787 -0.2909588 0.0072112 -1.4266507 17 P -1.1209745 0.1554217 0.3472731 0.0936839 -1.3784716 -0.0799370 0.3869297 0.0406382 -1.2766033 18 P -1.1209745 -0.1554217 0.3472731 -0.0936839 -1.3784716 0.0799370 0.3869297 -0.0406382 -1.2766033 19 P -1.1209745 0.1554217 0.3472731 0.0936839 -1.3784716 -0.0799370 0.3869297 0.0406382 -1.2766033 20 P -1.1209745 -0.1554217 0.3472731 -0.0936839 -1.3784716 0.0799370 0.3869297 -0.0406382 -1.2766033 21 P -0.4328088 0.0673542 -0.1307464 -0.1043579 -0.7176428 -0.0427950 -0.0534334 -0.2953673 -0.0791322 22 P -0.4328088 -0.0673542 -0.1307464 0.1043579 -0.7176428 0.0427950 -0.0534334 0.2953673 -0.0791322 23 P -0.4328088 0.0673542 -0.1307464 -0.1043579 -0.7176428 -0.0427950 -0.0534334 -0.2953673 -0.0791322 24 P -0.4328088 -0.0673542 -0.1307464 0.1043579 -0.7176428 0.0427950 -0.0534334 0.2953673 -0.0791322 25 P 0.1680677 -0.1502567 -0.0728256 0.0034221 -0.0016582 0.1471859 -0.0269040 -0.1487076 -0.3930414 26 P 0.1680677 0.1502567 -0.0728256 -0.0034221 -0.0016582 -0.1471859 -0.0269040 0.1487076 -0.3930414 27 P 0.1680677 -0.1502567 -0.0728256 0.0034221 -0.0016582 0.1471859 -0.0269040 -0.1487076 -0.3930414 28 P 0.1680677 0.1502567 -0.0728256 -0.0034221 -0.0016582 -0.1471859 -0.0269040 0.1487076 -0.3930414 29 Sr 2.9863957 -0.2783175 0.5748476 0.0270573 3.3257698 -0.5974278 0.4326044 -0.3445268 2.7581114 30 Sr 2.9863957 0.2783175 0.5748476 -0.0270573 3.3257698 0.5974278 0.4326044 0.3445268 2.7581114 31 Sr 2.6891439 0.3723836 -0.2700245 0.3456746 2.6861995 -0.0811123 -0.3112372 -0.1526760 2.8835500 32 Sr 2.6891439 -0.3723836 -0.2700245 -0.3456746 2.6861995 0.0811123 -0.3112372 0.1526760 2.8835500 33 Sr 2.6891439 0.3723836 -0.2700245 0.3456746 2.6861995 -0.0811123 -0.3112372 -0.1526760 2.8835500 34 Sr 2.6891439 -0.3723836 -0.2700245 -0.3456746 2.6861995 0.0811123 -0.3112372 0.1526760 2.8835500 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0055 0.0000 0.0084] [ 0.0055 0.0000 -0.0084] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0055 0.0000 0.0084] [ 0.0055 0.0000 -0.0084] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0055 0.0000 0.0084] [ 0.0055 0.0000 -0.0084] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0055 0.0000 0.0084] [ 0.0055 0.0000 -0.0084] 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] [-0.0055 0.0000 0.0084] [ 0.0055 0.0000 -0.0084] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0055 0.0000 0.0084] [ 0.0055 0.0000 -0.0084] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0055 0.0000 0.0084] [ 0.0055 0.0000 -0.0084] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0055 0.0000 0.0084] [ 0.0055 0.0000 -0.0084] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0055 0.0000 0.0084] [ 0.0055 0.0000 -0.0084] 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: 0.00000003 (xz) 0.00000003 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:01:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:01:20]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.267631630462721 0.000000000000000 0.000000000000000 b 0.000000000000000 12.609061240000001 0.000000000000000 c -6.234755839525284 0.000000000000000 9.491895640185030 Atomic positions (fractional): 1 P 0.63419462402806 0.31545914423894 0.96333299237126 30.974 2 P 0.36580537597194 0.81545914423894 0.53666700762874 30.974 3 P 0.36580537597194 0.68454085576106 0.03666700762874 30.974 4 P 0.63419462402806 0.18454085576106 0.46333299237126 30.974 5 P 0.30550023237807 0.41820467674754 0.86972072808325 30.974 6 P 0.69449976762193 0.91820467674754 0.63027927191675 30.974 7 P 0.69449976762193 0.58179532325246 0.13027927191675 30.974 8 P 0.30550023237807 0.08179532325246 0.36972072808325 30.974 9 P 0.63951108810127 0.28650194109386 0.77387366587858 30.974 10 P 0.36048891189873 0.78650194109386 0.72612633412142 30.974 11 P 0.36048891189873 0.71349805890614 0.22612633412142 30.974 12 P 0.63951108810127 0.21349805890614 0.27387366587858 30.974 13 P 0.59506645946262 0.44362673241668 0.67753580184913 30.974 14 P 0.40493354053738 0.94362673241668 0.82246419815087 30.974 15 P 0.40493354053738 0.55637326758332 0.32246419815087 30.974 16 P 0.59506645946262 0.05637326758332 0.17753580184913 30.974 17 P 0.25248183183319 0.22390741613396 0.63513501442979 30.974 18 P 0.74751816816681 0.72390741613396 0.86486498557021 30.974 19 P 0.74751816816681 0.77609258386604 0.36486498557021 30.974 20 P 0.25248183183319 0.27609258386604 0.13513501442979 30.974 21 P 0.72296362228973 0.99902584307777 0.81283473710958 30.974 22 P 0.27703637771027 0.49902584307777 0.68716526289042 30.974 23 P 0.27703637771027 0.00097415692223 0.18716526289042 30.974 24 P 0.72296362228973 0.50097415692223 0.31283473710958 30.974 25 P 0.03519125849204 0.35423881989354 0.64480903275657 30.974 26 P 0.96480874150796 0.85423881989354 0.85519096724343 30.974 27 P 0.96480874150796 0.64576118010646 0.35519096724343 30.974 28 P 0.03519125849204 0.14576118010646 0.14480903275657 30.974 29 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 30 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 31 Sr 0.17566017498586 0.15766937086499 0.87658298321511 87.620 32 Sr 0.82433982501414 0.65766937086499 0.62341701678489 87.620 33 Sr 0.82433982501414 0.84233062913501 0.12341701678489 87.620 34 Sr 0.17566017498586 0.34233062913501 0.37658298321511 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.535263260925442 0.000000000000000 0.000000000000000 b 0.000000000000000 12.609061240000001 0.000000000000000 c -12.469511679050568 0.000000000000000 18.983791280370060 Atomic positions (fractional): 1 P 0.31709731201403 0.31545914423894 0.48166649618563 30.974 > 1 2 P 0.81709731201403 0.31545914423894 0.48166649618563 30.974 > 1 3 P 0.31709731201403 0.31545914423894 0.98166649618563 30.974 > 1 4 P 0.81709731201403 0.31545914423894 0.98166649618563 30.974 > 1 5 P 0.18290268798597 0.81545914423894 0.26833350381437 30.974 > 5 6 P 0.68290268798597 0.81545914423894 0.26833350381437 30.974 > 5 7 P 0.18290268798597 0.81545914423894 0.76833350381437 30.974 > 5 8 P 0.68290268798597 0.81545914423894 0.76833350381437 30.974 > 5 9 P 0.18290268798597 0.68454085576106 0.01833350381437 30.974 > 9 10 P 0.68290268798597 0.68454085576106 0.01833350381437 30.974 > 9 11 P 0.18290268798597 0.68454085576106 0.51833350381437 30.974 > 9 12 P 0.68290268798597 0.68454085576106 0.51833350381437 30.974 > 9 13 P 0.31709731201403 0.18454085576106 0.23166649618563 30.974 > 13 14 P 0.81709731201403 0.18454085576106 0.23166649618563 30.974 > 13 15 P 0.31709731201403 0.18454085576106 0.73166649618563 30.974 > 13 16 P 0.81709731201403 0.18454085576106 0.73166649618563 30.974 > 13 17 P 0.15275011618903 0.41820467674754 0.43486036404162 30.974 > 17 18 P 0.65275011618903 0.41820467674754 0.43486036404162 30.974 > 17 19 P 0.15275011618903 0.41820467674754 0.93486036404162 30.974 > 17 20 P 0.65275011618903 0.41820467674754 0.93486036404162 30.974 > 17 21 P 0.34724988381097 0.91820467674754 0.31513963595838 30.974 > 21 22 P 0.84724988381097 0.91820467674754 0.31513963595838 30.974 > 21 23 P 0.34724988381097 0.91820467674754 0.81513963595838 30.974 > 21 24 P 0.84724988381097 0.91820467674754 0.81513963595838 30.974 > 21 25 P 0.34724988381097 0.58179532325246 0.06513963595838 30.974 > 25 26 P 0.84724988381097 0.58179532325246 0.06513963595838 30.974 > 25 27 P 0.34724988381097 0.58179532325246 0.56513963595838 30.974 > 25 28 P 0.84724988381097 0.58179532325246 0.56513963595838 30.974 > 25 29 P 0.15275011618903 0.08179532325246 0.18486036404163 30.974 > 29 30 P 0.65275011618903 0.08179532325246 0.18486036404163 30.974 > 29 31 P 0.15275011618903 0.08179532325246 0.68486036404162 30.974 > 29 32 P 0.65275011618903 0.08179532325246 0.68486036404162 30.974 > 29 33 P 0.31975554405064 0.28650194109386 0.38693683293929 30.974 > 33 34 P 0.81975554405064 0.28650194109386 0.38693683293929 30.974 > 33 35 P 0.31975554405064 0.28650194109386 0.88693683293929 30.974 > 33 36 P 0.81975554405064 0.28650194109386 0.88693683293929 30.974 > 33 37 P 0.18024445594936 0.78650194109386 0.36306316706071 30.974 > 37 38 P 0.68024445594936 0.78650194109386 0.36306316706071 30.974 > 37 39 P 0.18024445594936 0.78650194109386 0.86306316706071 30.974 > 37 40 P 0.68024445594936 0.78650194109386 0.86306316706071 30.974 > 37 41 P 0.18024445594936 0.71349805890614 0.11306316706071 30.974 > 41 42 P 0.68024445594936 0.71349805890614 0.11306316706071 30.974 > 41 43 P 0.18024445594936 0.71349805890614 0.61306316706071 30.974 > 41 44 P 0.68024445594936 0.71349805890614 0.61306316706071 30.974 > 41 45 P 0.31975554405064 0.21349805890614 0.13693683293929 30.974 > 45 46 P 0.81975554405064 0.21349805890614 0.13693683293929 30.974 > 45 47 P 0.31975554405064 0.21349805890614 0.63693683293929 30.974 > 45 48 P 0.81975554405064 0.21349805890614 0.63693683293929 30.974 > 45 49 P 0.29753322973131 0.44362673241668 0.33876790092456 30.974 > 49 50 P 0.79753322973131 0.44362673241668 0.33876790092456 30.974 > 49 51 P 0.29753322973131 0.44362673241668 0.83876790092456 30.974 > 49 52 P 0.79753322973131 0.44362673241668 0.83876790092456 30.974 > 49 53 P 0.20246677026869 0.94362673241668 0.41123209907544 30.974 > 53 54 P 0.70246677026869 0.94362673241668 0.41123209907544 30.974 > 53 55 P 0.20246677026869 0.94362673241668 0.91123209907544 30.974 > 53 56 P 0.70246677026869 0.94362673241668 0.91123209907544 30.974 > 53 57 P 0.20246677026869 0.55637326758332 0.16123209907544 30.974 > 57 58 P 0.70246677026869 0.55637326758332 0.16123209907544 30.974 > 57 59 P 0.20246677026869 0.55637326758332 0.66123209907544 30.974 > 57 60 P 0.70246677026869 0.55637326758332 0.66123209907544 30.974 > 57 61 P 0.29753322973131 0.05637326758332 0.08876790092456 30.974 > 61 62 P 0.79753322973131 0.05637326758332 0.08876790092456 30.974 > 61 63 P 0.29753322973131 0.05637326758332 0.58876790092456 30.974 > 61 64 P 0.79753322973131 0.05637326758332 0.58876790092456 30.974 > 61 65 P 0.12624091591659 0.22390741613396 0.31756750721490 30.974 > 65 66 P 0.62624091591659 0.22390741613396 0.31756750721490 30.974 > 65 67 P 0.12624091591659 0.22390741613396 0.81756750721490 30.974 > 65 68 P 0.62624091591659 0.22390741613396 0.81756750721490 30.974 > 65 69 P 0.37375908408341 0.72390741613396 0.43243249278510 30.974 > 69 70 P 0.87375908408341 0.72390741613396 0.43243249278510 30.974 > 69 71 P 0.37375908408341 0.72390741613396 0.93243249278510 30.974 > 69 72 P 0.87375908408341 0.72390741613396 0.93243249278510 30.974 > 69 73 P 0.37375908408341 0.77609258386604 0.18243249278510 30.974 > 73 74 P 0.87375908408341 0.77609258386604 0.18243249278510 30.974 > 73 75 P 0.37375908408341 0.77609258386604 0.68243249278510 30.974 > 73 76 P 0.87375908408341 0.77609258386604 0.68243249278510 30.974 > 73 77 P 0.12624091591659 0.27609258386604 0.06756750721490 30.974 > 77 78 P 0.62624091591659 0.27609258386604 0.06756750721490 30.974 > 77 79 P 0.12624091591659 0.27609258386604 0.56756750721490 30.974 > 77 80 P 0.62624091591659 0.27609258386604 0.56756750721490 30.974 > 77 81 P 0.36148181114486 0.99902584307777 0.40641736855479 30.974 > 81 82 P 0.86148181114486 0.99902584307777 0.40641736855479 30.974 > 81 83 P 0.36148181114486 0.99902584307777 0.90641736855479 30.974 > 81 84 P 0.86148181114486 0.99902584307777 0.90641736855479 30.974 > 81 85 P 0.13851818885514 0.49902584307777 0.34358263144521 30.974 > 85 86 P 0.63851818885514 0.49902584307777 0.34358263144521 30.974 > 85 87 P 0.13851818885514 0.49902584307777 0.84358263144521 30.974 > 85 88 P 0.63851818885514 0.49902584307777 0.84358263144521 30.974 > 85 89 P 0.13851818885514 0.00097415692223 0.09358263144521 30.974 > 89 90 P 0.63851818885514 0.00097415692223 0.09358263144521 30.974 > 89 91 P 0.13851818885514 0.00097415692223 0.59358263144521 30.974 > 89 92 P 0.63851818885514 0.00097415692223 0.59358263144521 30.974 > 89 93 P 0.36148181114486 0.50097415692223 0.15641736855479 30.974 > 93 94 P 0.86148181114486 0.50097415692223 0.15641736855479 30.974 > 93 95 P 0.36148181114486 0.50097415692223 0.65641736855479 30.974 > 93 96 P 0.86148181114486 0.50097415692223 0.65641736855479 30.974 > 93 97 P 0.01759562924602 0.35423881989354 0.32240451637828 30.974 > 97 98 P 0.51759562924602 0.35423881989354 0.32240451637828 30.974 > 97 99 P 0.01759562924602 0.35423881989354 0.82240451637828 30.974 > 97 100 P 0.51759562924602 0.35423881989354 0.82240451637828 30.974 > 97 101 P 0.48240437075398 0.85423881989354 0.42759548362172 30.974 > 101 102 P 0.98240437075398 0.85423881989354 0.42759548362172 30.974 > 101 103 P 0.48240437075398 0.85423881989354 0.92759548362172 30.974 > 101 104 P 0.98240437075398 0.85423881989354 0.92759548362172 30.974 > 101 105 P 0.48240437075398 0.64576118010646 0.17759548362172 30.974 > 105 106 P 0.98240437075398 0.64576118010646 0.17759548362172 30.974 > 105 107 P 0.48240437075398 0.64576118010646 0.67759548362172 30.974 > 105 108 P 0.98240437075398 0.64576118010646 0.67759548362172 30.974 > 105 109 P 0.01759562924602 0.14576118010646 0.07240451637829 30.974 > 109 110 P 0.51759562924602 0.14576118010646 0.07240451637829 30.974 > 109 111 P 0.01759562924602 0.14576118010646 0.57240451637829 30.974 > 109 112 P 0.51759562924602 0.14576118010646 0.57240451637829 30.974 > 109 113 Sr 0.00000000000000 0.00000000000000 0.25000000000000 87.620 > 113 114 Sr 0.50000000000000 0.00000000000000 0.25000000000000 87.620 > 113 115 Sr 0.00000000000000 0.00000000000000 0.75000000000000 87.620 > 113 116 Sr 0.50000000000000 0.00000000000000 0.75000000000000 87.620 > 113 117 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 > 117 118 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 > 117 119 Sr 0.00000000000000 0.50000000000000 0.50000000000000 87.620 > 117 120 Sr 0.50000000000000 0.50000000000000 0.50000000000000 87.620 > 117 121 Sr 0.08783008749293 0.15766937086499 0.43829149160755 87.620 > 121 122 Sr 0.58783008749293 0.15766937086499 0.43829149160755 87.620 > 121 123 Sr 0.08783008749293 0.15766937086499 0.93829149160755 87.620 > 121 124 Sr 0.58783008749293 0.15766937086499 0.93829149160755 87.620 > 121 125 Sr 0.41216991250707 0.65766937086499 0.31170850839245 87.620 > 125 126 Sr 0.91216991250707 0.65766937086499 0.31170850839245 87.620 > 125 127 Sr 0.41216991250707 0.65766937086499 0.81170850839245 87.620 > 125 128 Sr 0.91216991250707 0.65766937086499 0.81170850839245 87.620 > 125 129 Sr 0.41216991250707 0.84233062913501 0.06170850839245 87.620 > 129 130 Sr 0.91216991250707 0.84233062913501 0.06170850839245 87.620 > 129 131 Sr 0.41216991250707 0.84233062913501 0.56170850839245 87.620 > 129 132 Sr 0.91216991250707 0.84233062913501 0.56170850839245 87.620 > 129 133 Sr 0.08783008749293 0.34233062913501 0.18829149160755 87.620 > 133 134 Sr 0.58783008749293 0.34233062913501 0.18829149160755 87.620 > 133 135 Sr 0.08783008749293 0.34233062913501 0.68829149160755 87.620 > 133 136 Sr 0.58783008749293 0.34233062913501 0.68829149160755 87.620 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.3586606 0.0000000 0.6932691 0.0000000 9.0385019 0.0000000 0.6932681 0.0000000 10.4122355 -------------------------- Born effective charges -------------------------- 1 P -1.4876535 -0.1331367 0.0369832 -0.3362113 -0.9599823 -0.2968191 -0.1059806 -0.2886503 -0.9194325 2 P -1.4876535 0.1331367 0.0369832 0.3362113 -0.9599823 0.2968191 -0.1059806 0.2886503 -0.9194325 3 P -1.4876535 -0.1331367 0.0369832 -0.3362113 -0.9599823 -0.2968191 -0.1059806 -0.2886503 -0.9194325 4 P -1.4876535 0.1331367 0.0369832 0.3362113 -0.9599823 0.2968191 -0.1059806 0.2886503 -0.9194325 5 P -0.4042101 0.0393504 0.3547202 0.2017050 -0.0817017 0.1591007 0.5004920 0.0167541 -0.7839144 6 P -0.4042101 -0.0393504 0.3547202 -0.2017050 -0.0817017 -0.1591007 0.5004920 -0.0167541 -0.7839144 7 P -0.4042101 0.0393504 0.3547202 0.2017050 -0.0817017 0.1591007 0.5004920 0.0167541 -0.7839144 8 P -0.4042101 -0.0393504 0.3547202 -0.2017050 -0.0817017 -0.1591007 0.5004920 -0.0167541 -0.7839144 9 P -0.3956802 0.4643614 -0.4253725 0.1582276 0.1866828 -0.1256790 -0.3152099 -0.2123462 0.6161688 10 P -0.3956802 -0.4643614 -0.4253725 -0.1582276 0.1866828 0.1256790 -0.3152099 0.2123462 0.6161688 11 P -0.3956802 0.4643614 -0.4253725 0.1582276 0.1866828 -0.1256790 -0.3152099 -0.2123462 0.6161688 12 P -0.3956802 -0.4643614 -0.4253725 -0.1582276 0.1866828 0.1256790 -0.3152099 0.2123462 0.6161688 13 P -0.5090825 -0.4731189 -0.1274313 -0.3640988 -1.3963106 0.0931787 -0.2909588 -0.0072112 -1.4266507 14 P -0.5090825 0.4731189 -0.1274313 0.3640988 -1.3963106 -0.0931787 -0.2909588 0.0072112 -1.4266507 15 P -0.5090825 -0.4731189 -0.1274313 -0.3640988 -1.3963106 0.0931787 -0.2909588 -0.0072112 -1.4266507 16 P -0.5090825 0.4731189 -0.1274313 0.3640988 -1.3963106 -0.0931787 -0.2909588 0.0072112 -1.4266507 17 P -1.1209745 0.1554217 0.3472731 0.0936839 -1.3784716 -0.0799370 0.3869297 0.0406382 -1.2766033 18 P -1.1209745 -0.1554217 0.3472731 -0.0936839 -1.3784716 0.0799370 0.3869297 -0.0406382 -1.2766033 19 P -1.1209745 0.1554217 0.3472731 0.0936839 -1.3784716 -0.0799370 0.3869297 0.0406382 -1.2766033 20 P -1.1209745 -0.1554217 0.3472731 -0.0936839 -1.3784716 0.0799370 0.3869297 -0.0406382 -1.2766033 21 P -0.4328088 0.0673542 -0.1307464 -0.1043579 -0.7176428 -0.0427950 -0.0534334 -0.2953673 -0.0791322 22 P -0.4328088 -0.0673542 -0.1307464 0.1043579 -0.7176428 0.0427950 -0.0534334 0.2953673 -0.0791322 23 P -0.4328088 0.0673542 -0.1307464 -0.1043579 -0.7176428 -0.0427950 -0.0534334 -0.2953673 -0.0791322 24 P -0.4328088 -0.0673542 -0.1307464 0.1043579 -0.7176428 0.0427950 -0.0534334 0.2953673 -0.0791322 25 P 0.1680677 -0.1502567 -0.0728256 0.0034221 -0.0016582 0.1471859 -0.0269040 -0.1487076 -0.3930414 26 P 0.1680677 0.1502567 -0.0728256 -0.0034221 -0.0016582 -0.1471859 -0.0269040 0.1487076 -0.3930414 27 P 0.1680677 -0.1502567 -0.0728256 0.0034221 -0.0016582 0.1471859 -0.0269040 -0.1487076 -0.3930414 28 P 0.1680677 0.1502567 -0.0728256 -0.0034221 -0.0016582 -0.1471859 -0.0269040 0.1487076 -0.3930414 29 Sr 2.9863957 -0.2783175 0.5748476 0.0270573 3.3257698 -0.5974278 0.4326044 -0.3445268 2.7581114 30 Sr 2.9863957 0.2783175 0.5748476 -0.0270573 3.3257698 0.5974278 0.4326044 0.3445268 2.7581114 31 Sr 2.6891439 0.3723836 -0.2700245 0.3456746 2.6861995 -0.0811123 -0.3112372 -0.1526760 2.8835500 32 Sr 2.6891439 -0.3723836 -0.2700245 -0.3456746 2.6861995 0.0811123 -0.3112372 0.1526760 2.8835500 33 Sr 2.6891439 0.3723836 -0.2700245 0.3456746 2.6861995 -0.0811123 -0.3112372 -0.1526760 2.8835500 34 Sr 2.6891439 -0.3723836 -0.2700245 -0.3456746 2.6861995 0.0811123 -0.3112372 0.1526760 2.8835500 ---------------------------------------------------------------------------- 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 (yx) -0.00000000 (yx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 4 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.46, Number of G-points: 307, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/78) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 78 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 1.363 ( 0.000 0.000 0.000) 0.000 1.542 ( 0.000 0.000 0.000) 0.000 1.592 ( 0.000 0.000 0.000) 0.000 1.609 ( 0.000 0.000 0.000) 0.000 1.702 ( 0.000 0.000 0.000) 0.000 1.852 ( 0.000 0.000 0.000) 0.000 2.057 ( 0.000 0.000 0.000) 0.000 2.103 ( 0.000 0.000 0.000) 0.000 2.165 ( 0.000 0.000 0.000) 0.000 2.204 ( 0.000 0.000 0.000) 0.000 2.220 ( 0.000 0.000 0.000) 0.000 2.304 ( 0.000 0.000 0.000) 0.000 2.395 ( 0.000 0.000 0.000) 0.000 2.417 ( 0.000 0.000 0.000) 0.000 2.468 ( 0.000 0.000 0.000) 0.000 2.596 ( 0.000 0.000 0.000) 0.000 2.633 ( 0.000 0.000 0.000) 0.000 2.724 ( 0.000 0.000 0.000) 0.000 2.770 ( 0.000 0.000 0.000) 0.000 2.877 ( 0.000 0.000 0.000) 0.000 2.883 ( 0.000 0.000 0.000) 0.000 2.922 ( 0.000 0.000 0.000) 0.000 3.004 ( 0.000 0.000 0.000) 0.000 3.036 ( 0.000 0.000 0.000) 0.000 3.125 ( 0.000 0.000 0.000) 0.000 3.136 ( 0.000 0.000 0.000) 0.000 3.149 ( 0.000 0.000 0.000) 0.000 3.270 ( 0.000 0.000 0.000) 0.000 3.365 ( 0.000 0.000 0.000) 0.000 3.494 ( 0.000 0.000 0.000) 0.000 3.575 ( 0.000 0.000 0.000) 0.000 3.727 ( 0.000 0.000 0.000) 0.000 3.728 ( 0.000 0.000 0.000) 0.000 3.807 ( 0.000 0.000 0.000) 0.000 3.948 ( 0.000 0.000 0.000) 0.000 4.149 ( 0.000 0.000 0.000) 0.000 4.164 ( 0.000 0.000 0.000) 0.000 4.173 ( 0.000 0.000 0.000) 0.000 4.393 ( 0.000 0.000 0.000) 0.000 6.399 ( 0.000 0.000 0.000) 0.000 6.408 ( 0.000 0.000 0.000) 0.000 6.409 ( 0.000 0.000 0.000) 0.000 6.409 ( 0.000 0.000 0.000) 0.000 6.794 ( 0.000 0.000 0.000) 0.000 6.829 ( 0.000 0.000 0.000) 0.000 6.916 ( 0.000 0.000 0.000) 0.000 6.918 ( 0.000 0.000 0.000) 0.000 7.117 ( 0.000 0.000 0.000) 0.000 7.118 ( 0.000 0.000 0.000) 0.000 7.167 ( 0.000 0.000 0.000) 0.000 7.190 ( 0.000 0.000 0.000) 0.000 7.849 ( 0.000 0.000 0.000) 0.000 7.851 ( 0.000 0.000 0.000) 0.000 7.898 ( 0.000 0.000 0.000) 0.000 7.916 ( 0.000 0.000 0.000) 0.000 8.181 ( 0.000 0.000 0.000) 0.000 8.189 ( 0.000 0.000 0.000) 0.000 8.194 ( 0.000 0.000 0.000) 0.000 8.243 ( 0.000 0.000 0.000) 0.000 8.825 ( 0.000 0.000 0.000) 0.000 8.843 ( 0.000 0.000 0.000) 0.000 8.870 ( 0.000 0.000 0.000) 0.000 8.873 ( 0.000 0.000 0.000) 0.000 8.891 ( 0.000 0.000 0.000) 0.000 8.917 ( 0.000 0.000 0.000) 0.000 8.965 ( 0.000 0.000 0.000) 0.000 8.988 ( 0.000 0.000 0.000) 0.000 9.914 ( 0.000 0.000 0.000) 0.000 9.917 ( 0.000 0.000 0.000) 0.000 9.957 ( 0.000 0.000 0.000) 0.000 9.997 ( 0.000 0.000 0.000) 0.000 11.416 ( 0.000 0.000 0.000) 0.000 11.427 ( 0.000 0.000 0.000) 0.000 11.437 ( 0.000 0.000 0.000) 0.000 11.458 ( 0.000 0.000 0.000) 0.000 12.308 ( 0.000 0.000 0.000) 0.000 12.312 ( 0.000 0.000 0.000) 0.000 12.332 ( 0.000 0.000 0.000) 0.000 12.357 ( 0.000 0.000 0.000) 0.000 12.369 ( 0.000 0.000 0.000) 0.000 12.409 ( 0.000 0.000 0.000) 0.000 12.421 ( 0.000 0.000 0.000) 0.000 12.460 ( 0.000 0.000 0.000) 0.000 12.656 ( 0.000 0.000 0.000) 0.000 12.676 ( 0.000 0.000 0.000) 0.000 12.789 ( 0.000 0.000 0.000) 0.000 12.801 ( 0.000 0.000 0.000) 0.000 13.113 ( 0.000 0.000 0.000) 0.000 13.120 ( 0.000 0.000 0.000) 0.000 13.144 ( 0.000 0.000 0.000) 0.000 13.157 ( 0.000 0.000 0.000) 0.000 13.423 ( 0.000 0.000 0.000) 0.000 13.445 ( 0.000 0.000 0.000) 0.000 13.467 ( 0.000 0.000 0.000) 0.000 13.507 ( 0.000 0.000 0.000) 0.000 13.640 ( 0.000 0.000 0.000) 0.000 13.713 ( 0.000 0.000 0.000) 0.000 13.780 ( 0.000 0.000 0.000) 0.000 13.831 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/78) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.412 ( 22.398 0.000 3.984) 22.750 0.499 ( 24.684 0.000 8.867) 26.228 0.777 ( 33.207 0.000 18.272) 37.902 1.415 ( 5.347 0.000 0.249) 5.353 1.514 ( 0.750 0.000 -5.034) 5.090 1.551 ( -2.180 0.000 -4.277) 4.800 1.666 ( 4.931 0.000 2.544) 5.548 1.787 ( 2.692 0.000 4.023) 4.840 1.852 ( -0.902 0.000 -7.401) 7.456 2.002 ( 0.588 0.000 -5.794) 5.824 2.041 ( -3.578 0.000 -0.505) 3.614 2.110 ( -1.118 0.000 -1.583) 1.938 2.226 ( -4.730 0.000 4.371) 6.441 2.310 ( 2.792 0.000 1.932) 3.395 2.332 ( -1.782 0.000 -4.239) 4.598 2.352 ( 5.415 0.000 -0.001) 5.415 2.485 ( -6.739 0.000 -0.331) 6.747 2.516 ( -5.319 0.000 9.374) 10.778 2.586 ( 2.884 0.000 -1.072) 3.077 2.630 ( 3.961 0.000 -2.312) 4.586 2.777 ( -1.536 0.000 2.953) 3.328 2.820 ( -2.190 0.000 3.353) 4.005 2.883 ( -0.342 0.000 -4.587) 4.600 2.896 ( 2.529 0.000 3.896) 4.645 2.928 ( -1.990 0.000 2.884) 3.504 2.959 ( -1.241 0.000 1.245) 1.758 3.078 ( 2.969 0.000 -3.991) 4.975 3.087 ( 1.185 0.000 -4.575) 4.726 3.136 ( 3.618 0.000 -3.417) 4.976 3.227 ( -7.396 0.000 10.898) 13.171 3.317 ( 2.568 0.000 2.655) 3.694 3.394 ( 1.566 0.000 4.038) 4.331 3.589 ( -3.151 0.000 -8.437) 9.007 3.603 ( -1.621 0.000 6.444) 6.645 3.673 ( 4.409 0.000 -10.544) 11.429 3.770 ( -2.586 0.000 -2.203) 3.397 3.802 ( 1.155 0.000 2.966) 3.183 3.906 ( -4.281 0.000 -1.309) 4.477 4.119 ( -2.457 0.000 -1.677) 2.974 4.164 ( 0.124 0.000 0.102) 0.161 4.179 ( 0.190 0.000 0.846) 0.867 4.374 ( -1.732 0.000 -1.305) 2.169 6.401 ( 0.030 0.000 0.224) 0.226 6.402 ( -0.733 0.000 0.051) 0.735 6.409 ( -0.210 0.000 0.214) 0.300 6.426 ( -0.634 0.000 1.046) 1.223 6.788 ( -0.889 0.000 0.323) 0.946 6.828 ( 0.480 0.000 -0.845) 0.972 6.914 ( -0.117 0.000 -0.636) 0.646 7.017 ( -4.179 0.000 3.174) 5.247 7.115 ( 0.125 0.000 -0.557) 0.571 7.127 ( 1.937 0.000 -1.615) 2.521 7.166 ( -0.345 0.000 0.441) 0.560 7.196 ( 0.171 0.000 0.872) 0.888 7.842 ( -0.161 0.000 -0.248) 0.296 7.869 ( 0.373 0.000 1.461) 1.508 7.901 ( -0.208 0.000 0.595) 0.630 7.932 ( -1.563 0.000 -0.634) 1.686 8.164 ( -1.872 0.000 -0.636) 1.977 8.167 ( -1.772 0.000 -1.010) 2.039 8.181 ( -2.604 0.000 1.222) 2.877 8.235 ( -1.928 0.000 1.225) 2.285 8.820 ( -0.740 0.000 0.191) 0.764 8.839 ( -0.579 0.000 0.103) 0.588 8.860 ( -0.262 0.000 -0.349) 0.436 8.888 ( -0.049 0.000 -0.493) 0.495 8.889 ( 1.004 0.000 0.279) 1.042 8.927 ( 1.199 0.000 0.038) 1.200 8.966 ( 0.683 0.000 -0.651) 0.943 8.994 ( 0.518 0.000 0.360) 0.631 9.913 ( 0.036 0.000 -0.128) 0.133 9.920 ( 0.295 0.000 0.139) 0.326 9.966 ( 0.929 0.000 0.183) 0.947 9.994 ( 0.502 0.000 -1.474) 1.557 11.413 ( -0.473 0.000 0.276) 0.547 11.423 ( -0.252 0.000 -0.289) 0.384 11.434 ( -0.169 0.000 -0.248) 0.300 11.460 ( -0.211 0.000 0.624) 0.659 12.305 ( -0.294 0.000 -0.055) 0.299 12.314 ( 0.484 0.000 -0.515) 0.707 12.326 ( -0.310 0.000 -0.074) 0.318 12.360 ( 0.259 0.000 0.022) 0.260 12.396 ( 1.900 0.000 0.072) 1.901 12.422 ( 0.603 0.000 -0.650) 0.887 12.422 ( 1.322 0.000 0.301) 1.356 12.467 ( 0.993 0.000 -0.195) 1.011 12.667 ( 0.576 0.000 1.186) 1.318 12.688 ( 0.717 0.000 1.136) 1.343 12.782 ( -0.923 0.000 -0.978) 1.345 12.790 ( -0.715 0.000 -0.949) 1.188 13.114 ( 0.360 0.000 -0.312) 0.477 13.131 ( 0.947 0.000 0.357) 1.012 13.156 ( 0.568 0.000 -0.296) 0.641 13.158 ( 0.278 0.000 -0.321) 0.425 13.411 ( -0.139 0.000 -1.057) 1.066 13.459 ( 0.447 0.000 1.425) 1.493 13.468 ( 0.500 0.000 -0.817) 0.958 13.511 ( 0.334 0.000 0.350) 0.484 13.657 ( 0.815 0.000 1.777) 1.955 13.716 ( 0.145 0.000 0.453) 0.476 13.765 ( -1.264 0.000 -0.807) 1.500 13.813 ( -1.417 0.000 -1.015) 1.743 ======================= Grid point 2 (3/78) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 18.374 0.000 4.377) 18.888 0.947 ( 19.258 0.000 7.131) 20.536 1.250 ( 7.665 0.000 -0.099) 7.666 1.480 ( 3.935 0.000 -2.448) 4.634 1.482 ( 1.464 0.000 -3.239) 3.555 1.696 ( 20.646 0.000 10.475) 23.151 1.721 ( 3.881 0.000 -9.680) 10.429 1.785 ( 4.223 0.000 -4.164) 5.931 1.841 ( 1.250 0.000 0.182) 1.264 1.924 ( -3.102 0.000 -6.548) 7.245 2.004 ( 0.724 0.000 1.435) 1.607 2.081 ( 2.295 0.000 -6.651) 7.036 2.219 ( -0.364 0.000 4.919) 4.933 2.273 ( -7.005 0.000 -1.535) 7.171 2.365 ( -3.230 0.000 0.343) 3.248 2.371 ( -1.975 0.000 3.323) 3.866 2.456 ( 7.660 0.000 3.493) 8.419 2.575 ( 0.163 0.000 7.166) 7.168 2.591 ( 1.993 0.000 -4.447) 4.873 2.689 ( 2.709 0.000 0.490) 2.753 2.722 ( -2.548 0.000 -1.201) 2.817 2.786 ( -4.690 0.000 -0.064) 4.690 2.811 ( -0.692 0.000 -7.409) 7.441 2.826 ( -7.949 0.000 1.370) 8.066 2.987 ( 1.892 0.000 1.516) 2.424 3.003 ( 0.276 0.000 5.635) 5.642 3.051 ( -0.912 0.000 -3.248) 3.374 3.181 ( 10.015 0.000 0.814) 10.048 3.186 ( 5.377 0.000 -1.903) 5.704 3.221 ( -6.234 0.000 8.747) 10.741 3.372 ( -0.810 0.000 5.918) 5.973 3.408 ( -8.588 0.000 -5.568) 10.235 3.468 ( 0.616 0.000 2.188) 2.273 3.639 ( -0.726 0.000 4.731) 4.786 3.639 ( 0.845 0.000 -3.889) 3.980 3.713 ( -1.759 0.000 -0.344) 1.792 3.794 ( -7.154 0.000 -1.870) 7.395 3.834 ( -0.482 0.000 1.792) 1.856 4.046 ( -3.413 0.000 -2.780) 4.402 4.174 ( 0.815 0.000 0.263) 0.857 4.197 ( 0.660 0.000 1.293) 1.452 4.321 ( -2.636 0.000 -1.641) 3.105 6.388 ( -0.924 0.000 0.070) 0.926 6.403 ( -0.127 0.000 0.092) 0.157 6.407 ( -0.408 0.000 0.465) 0.619 6.421 ( -0.814 0.000 0.194) 0.837 6.776 ( -0.737 0.000 0.166) 0.756 6.828 ( 0.465 0.000 -0.666) 0.812 6.901 ( -0.511 0.000 -0.861) 1.002 6.975 ( -2.308 0.000 -0.841) 2.456 7.111 ( 0.265 0.000 -0.738) 0.784 7.148 ( 1.444 0.000 0.214) 1.460 7.165 ( -0.568 0.000 0.842) 1.016 7.215 ( 0.721 0.000 1.259) 1.451 7.831 ( -1.405 0.000 -0.037) 1.406 7.877 ( -1.368 0.000 0.760) 1.565 7.880 ( -3.711 0.000 -0.326) 3.725 7.905 ( -0.540 0.000 0.344) 0.640 8.110 ( -3.243 0.000 -1.225) 3.466 8.126 ( -1.631 0.000 -0.637) 1.751 8.147 ( -2.886 0.000 0.899) 3.023 8.211 ( -2.627 0.000 1.720) 3.140 8.807 ( -1.033 0.000 0.252) 1.063 8.828 ( -0.906 0.000 0.305) 0.956 8.858 ( 0.171 0.000 0.089) 0.193 8.876 ( -0.609 0.000 -0.794) 1.001 8.911 ( 1.503 0.000 0.150) 1.510 8.952 ( 1.734 0.000 -0.091) 1.737 8.979 ( 1.683 0.000 -0.437) 1.739 9.009 ( 0.858 0.000 0.177) 0.876 9.913 ( 0.129 0.000 -0.139) 0.189 9.931 ( 0.666 0.000 0.617) 0.908 9.985 ( 0.552 0.000 -1.806) 1.888 9.988 ( 1.462 0.000 0.108) 1.466 11.407 ( -0.735 0.000 0.278) 0.786 11.415 ( -0.360 0.000 -0.074) 0.367 11.427 ( -0.302 0.000 -0.207) 0.366 11.463 ( -0.387 0.000 0.637) 0.745 12.298 ( -0.439 0.000 -0.120) 0.455 12.316 ( 0.406 0.000 -0.403) 0.572 12.327 ( 0.285 0.000 0.220) 0.360 12.365 ( 0.271 0.000 0.015) 0.271 12.428 ( 1.192 0.000 -0.913) 1.501 12.432 ( 2.057 0.000 0.577) 2.136 12.453 ( 1.916 0.000 0.377) 1.952 12.487 ( 1.700 0.000 -0.264) 1.721 12.697 ( 1.007 0.000 1.988) 2.228 12.719 ( 1.127 0.000 1.794) 2.119 12.748 ( -1.374 0.000 -1.923) 2.363 12.762 ( -1.145 0.000 -1.525) 1.907 13.120 ( 0.673 0.000 -0.189) 0.699 13.151 ( 0.948 0.000 0.330) 1.004 13.158 ( 0.218 0.000 -0.442) 0.493 13.162 ( 0.563 0.000 -0.303) 0.640 13.408 ( 0.754 0.000 -0.217) 0.784 13.465 ( 0.646 0.000 -1.556) 1.685 13.486 ( 1.081 0.000 1.465) 1.821 13.522 ( 0.460 0.000 0.277) 0.536 13.693 ( 0.686 0.000 2.395) 2.491 13.725 ( 0.164 0.000 0.571) 0.594 13.727 ( -2.028 0.000 -1.098) 2.307 13.769 ( -2.118 0.000 -1.730) 2.735 ======================= Grid point 3 (4/78) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 12.859 0.000 2.180) 13.042 1.191 ( 6.388 0.000 2.268) 6.779 1.238 ( -1.118 0.000 -3.882) 4.040 1.529 ( 3.447 0.000 -10.994) 11.522 1.557 ( 5.425 0.000 2.216) 5.860 1.640 ( 3.945 0.000 -5.314) 6.618 1.812 ( 6.756 0.000 -1.399) 6.899 1.835 ( -1.355 0.000 2.419) 2.773 1.890 ( -0.088 0.000 -0.100) 0.134 1.940 ( 5.034 0.000 -4.921) 7.040 2.051 ( 3.835 0.000 -8.869) 9.663 2.090 ( -5.282 0.000 -3.982) 6.615 2.254 ( 16.710 0.000 8.503) 18.749 2.278 ( -4.901 0.000 7.800) 9.212 2.383 ( 3.731 0.000 -3.181) 4.903 2.406 ( 1.079 0.000 7.436) 7.514 2.468 ( -13.324 0.000 -3.308) 13.729 2.571 ( 2.295 0.000 2.540) 3.423 2.572 ( 0.620 0.000 -2.003) 2.097 2.689 ( -5.134 0.000 -2.222) 5.594 2.706 ( 4.620 0.000 0.363) 4.634 2.726 ( 1.823 0.000 -7.957) 8.163 2.786 ( 0.365 0.000 1.352) 1.400 2.867 ( 7.121 0.000 7.289) 10.190 2.931 ( -4.048 0.000 -6.038) 7.270 3.002 ( -5.850 0.000 0.430) 5.866 3.057 ( -0.469 0.000 2.644) 2.686 3.183 ( -6.709 0.000 4.998) 8.366 3.245 ( -2.055 0.000 5.004) 5.409 3.261 ( 4.813 0.000 0.653) 4.857 3.370 ( 5.935 0.000 -0.296) 5.942 3.422 ( -1.281 0.000 5.808) 5.948 3.440 ( -3.608 0.000 0.413) 3.632 3.634 ( -5.928 0.000 -3.233) 6.753 3.639 ( 2.365 0.000 -0.101) 2.367 3.673 ( -4.260 0.000 4.252) 6.019 3.741 ( 3.606 0.000 0.301) 3.619 3.820 ( -2.320 0.000 -0.158) 2.326 3.969 ( -2.255 0.000 -2.381) 3.279 4.191 ( 1.258 0.000 -0.247) 1.281 4.222 ( 1.301 0.000 -0.389) 1.357 4.263 ( -3.087 0.000 0.125) 3.090 6.376 ( -0.676 0.000 0.142) 0.691 6.394 ( -0.603 0.000 -0.753) 0.965 6.406 ( -0.357 0.000 0.554) 0.659 6.407 ( -1.066 0.000 0.332) 1.116 6.772 ( -0.053 0.000 0.219) 0.225 6.827 ( 0.138 0.000 -0.397) 0.420 6.881 ( -0.961 0.000 -0.678) 1.176 6.934 ( -1.238 0.000 -1.356) 1.836 7.110 ( 0.659 0.000 -0.641) 0.919 7.164 ( -0.850 0.000 1.088) 1.381 7.174 ( 1.288 0.000 0.483) 1.376 7.243 ( 1.110 0.000 1.224) 1.652 7.789 ( -3.452 0.000 -0.232) 3.460 7.803 ( -4.998 0.000 -0.426) 5.016 7.833 ( -3.902 0.000 -0.618) 3.950 7.895 ( -1.758 0.000 0.937) 1.992 8.049 ( -2.390 0.000 -1.093) 2.628 8.110 ( -2.182 0.000 -0.148) 2.187 8.113 ( 0.219 0.000 0.166) 0.274 8.198 ( -1.430 0.000 1.998) 2.457 8.794 ( -0.936 0.000 0.169) 0.951 8.821 ( -0.690 0.000 0.692) 0.977 8.857 ( -0.726 0.000 -0.633) 0.963 8.865 ( 0.343 0.000 0.358) 0.496 8.938 ( 1.714 0.000 0.043) 1.714 8.976 ( 1.443 0.000 -0.354) 1.486 9.006 ( 1.662 0.000 0.021) 1.662 9.023 ( 1.005 0.000 -0.249) 1.036 9.915 ( 0.206 0.000 -0.079) 0.221 9.954 ( 0.887 0.000 1.288) 1.564 9.976 ( 0.587 0.000 -1.535) 1.644 10.011 ( 1.408 0.000 -0.320) 1.444 11.395 ( -0.777 0.000 -0.133) 0.789 11.411 ( -0.312 0.000 0.255) 0.403 11.423 ( -0.264 0.000 0.231) 0.351 11.461 ( -0.452 0.000 0.317) 0.552 12.290 ( -0.417 0.000 -0.142) 0.440 12.320 ( 0.404 0.000 0.024) 0.405 12.336 ( 0.573 0.000 0.153) 0.594 12.368 ( 0.181 0.000 0.037) 0.185 12.440 ( 1.341 0.000 -0.767) 1.545 12.469 ( 1.829 0.000 0.471) 1.889 12.486 ( 1.653 0.000 0.288) 1.678 12.513 ( 1.825 0.000 -0.249) 1.842 12.703 ( -1.425 0.000 -2.068) 2.512 12.726 ( -1.158 0.000 -1.521) 1.911 12.736 ( 1.107 0.000 2.090) 2.365 12.757 ( 1.141 0.000 1.733) 2.075 13.131 ( 0.758 0.000 0.083) 0.762 13.155 ( -0.087 0.000 -0.216) 0.232 13.163 ( 0.254 0.000 -0.068) 0.263 13.166 ( 0.282 0.000 -0.294) 0.407 13.430 ( 1.640 0.000 0.545) 1.728 13.457 ( 0.515 0.000 -1.696) 1.772 13.523 ( 1.643 0.000 1.263) 2.072 13.527 ( 0.091 0.000 -0.280) 0.294 13.686 ( -1.877 0.000 -0.532) 1.951 13.717 ( -1.785 0.000 -2.029) 2.703 13.723 ( 0.058 0.000 2.059) 2.059 13.731 ( 0.028 0.000 0.293) 0.294 ======================= Grid point 4 (5/78) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 0.676 0.000 -3.742) 3.803 1.231 ( 4.182 0.000 1.762) 4.539 1.320 ( 5.064 0.000 -8.050) 9.511 1.347 ( -0.417 0.000 -0.076) 0.424 1.671 ( 0.267 0.000 -2.588) 2.602 1.675 ( 4.446 0.000 4.378) 6.240 1.822 ( -5.062 0.000 -2.382) 5.594 1.858 ( -1.707 0.000 5.429) 5.691 1.962 ( 6.933 0.000 -9.010) 11.368 1.986 ( 6.597 0.000 0.637) 6.628 2.024 ( 0.631 0.000 -4.906) 4.947 2.085 ( 6.405 0.000 1.399) 6.556 2.221 ( -6.084 0.000 0.354) 6.095 2.248 ( -4.760 0.000 -2.252) 5.266 2.360 ( -0.285 0.000 -1.978) 1.998 2.432 ( -0.227 0.000 4.660) 4.666 2.528 ( 2.953 0.000 0.589) 3.012 2.571 ( -4.197 0.000 -0.563) 4.235 2.620 ( 3.261 0.000 -1.972) 3.811 2.635 ( 0.237 0.000 0.888) 0.919 2.684 ( -4.291 0.000 -1.570) 4.569 2.732 ( 4.727 0.000 -5.161) 6.998 2.807 ( 1.059 0.000 2.650) 2.854 2.812 ( -2.107 0.000 -2.067) 2.952 2.882 ( -2.299 0.000 0.068) 2.300 3.041 ( -5.518 0.000 3.667) 6.625 3.089 ( 5.247 0.000 3.681) 6.409 3.164 ( -2.308 0.000 4.180) 4.775 3.333 ( 5.186 0.000 6.587) 8.384 3.337 ( 3.957 0.000 -0.731) 4.024 3.395 ( -2.044 0.000 -0.547) 2.116 3.445 ( -2.460 0.000 4.166) 4.838 3.445 ( 4.063 0.000 1.306) 4.267 3.508 ( -3.721 0.000 -3.184) 4.897 3.641 ( -4.476 0.000 2.982) 5.378 3.685 ( 1.442 0.000 -0.864) 1.681 3.766 ( -2.800 0.000 -0.915) 2.945 3.798 ( 2.885 0.000 -0.327) 2.903 3.935 ( 0.048 0.000 -1.018) 1.019 4.195 ( -1.160 0.000 -2.465) 2.725 4.207 ( 1.157 0.000 -0.372) 1.215 4.261 ( -0.239 0.000 2.103) 2.117 6.370 ( -0.277 0.000 0.130) 0.306 6.374 ( -0.709 0.000 -0.674) 0.978 6.396 ( -0.659 0.000 0.190) 0.686 6.407 ( -0.199 0.000 0.379) 0.428 6.776 ( 0.156 0.000 0.163) 0.225 6.824 ( -0.058 0.000 -0.265) 0.271 6.861 ( -0.747 0.000 -0.226) 0.781 6.908 ( -0.500 0.000 -0.898) 1.028 7.119 ( 1.030 0.000 -0.482) 1.138 7.161 ( -0.990 0.000 1.031) 1.430 7.196 ( 0.790 0.000 0.284) 0.839 7.270 ( 0.802 0.000 0.718) 1.076 7.725 ( -3.773 0.000 -0.305) 3.785 7.733 ( -2.570 0.000 -0.220) 2.579 7.761 ( -3.671 0.000 -0.738) 3.744 7.872 ( -1.981 0.000 0.798) 2.136 8.019 ( -0.613 0.000 -0.292) 0.679 8.078 ( -1.178 0.000 -0.773) 1.409 8.126 ( 0.678 0.000 0.227) 0.715 8.202 ( -0.453 0.000 1.332) 1.407 8.782 ( -0.568 0.000 0.037) 0.570 8.820 ( -0.340 0.000 0.673) 0.755 8.843 ( -0.417 0.000 -0.267) 0.495 8.874 ( 0.281 0.000 0.269) 0.390 8.964 ( 1.354 0.000 0.116) 1.359 8.988 ( 0.555 0.000 -0.486) 0.738 9.023 ( 0.448 0.000 0.069) 0.453 9.038 ( 1.164 0.000 -0.233) 1.187 9.917 ( 0.158 0.000 -0.046) 0.164 9.972 ( 0.418 0.000 -0.800) 0.903 9.983 ( 0.706 0.000 1.634) 1.780 10.022 ( 0.792 0.000 -0.919) 1.213 11.382 ( -0.530 0.000 -0.257) 0.589 11.410 ( -0.175 0.000 0.309) 0.355 11.423 ( -0.117 0.000 0.331) 0.351 11.456 ( -0.317 0.000 0.041) 0.319 12.283 ( -0.251 0.000 -0.092) 0.268 12.328 ( 0.323 0.000 0.168) 0.364 12.346 ( 0.392 0.000 0.053) 0.396 12.371 ( 0.093 0.000 0.061) 0.112 12.452 ( 0.869 0.000 -0.423) 0.966 12.498 ( 1.237 0.000 0.275) 1.267 12.508 ( 0.785 0.000 0.134) 0.796 12.536 ( 1.193 0.000 -0.163) 1.204 12.665 ( -0.924 0.000 -1.341) 1.629 12.697 ( -0.775 0.000 -0.978) 1.248 12.770 ( 0.741 0.000 1.353) 1.543 12.787 ( 0.736 0.000 1.033) 1.268 13.144 ( 0.682 0.000 0.213) 0.715 13.152 ( -0.148 0.000 0.097) 0.177 13.160 ( -0.190 0.000 -0.328) 0.379 13.164 ( -0.165 0.000 -0.224) 0.278 13.448 ( 0.292 0.000 -1.108) 1.146 13.462 ( 1.378 0.000 0.592) 1.500 13.520 ( -0.249 0.000 -0.519) 0.576 13.560 ( 1.357 0.000 0.768) 1.559 13.661 ( -1.247 0.000 0.481) 1.336 13.676 ( -0.640 0.000 -1.859) 1.966 13.732 ( -0.052 0.000 -0.037) 0.064 13.737 ( -0.364 0.000 1.180) 1.235 ======================= Grid point 5 (6/78) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 0.000 0.000 0.000) 0.000 1.222 ( 0.000 0.000 0.000) 0.000 1.272 ( 0.000 0.000 -0.000) 0.000 1.542 ( 0.000 0.000 0.000) 0.000 1.571 ( -0.000 0.000 -0.000) 0.000 1.749 ( 0.000 0.000 0.000) 0.000 1.787 ( 0.000 0.000 0.000) 0.000 1.815 ( 0.000 0.000 0.000) 0.000 1.975 ( 0.000 0.000 0.000) 0.000 1.981 ( 0.000 0.000 0.000) 0.000 1.996 ( 0.000 0.000 0.000) 0.000 2.185 ( -0.000 0.000 0.000) 0.000 2.185 ( 0.000 0.000 -0.000) 0.000 2.278 ( -0.000 0.000 -0.000) 0.000 2.354 ( 0.000 0.000 0.000) 0.000 2.410 ( 0.000 0.000 0.000) 0.000 2.510 ( 0.000 0.000 0.000) 0.000 2.519 ( 0.000 0.000 0.000) 0.000 2.574 ( 0.000 0.000 0.000) 0.000 2.638 ( 0.000 0.000 0.000) 0.000 2.712 ( 0.000 0.000 -0.000) 0.000 2.733 ( 0.000 0.000 0.000) 0.000 2.830 ( -0.000 0.000 -0.000) 0.000 2.847 ( 0.000 0.000 0.000) 0.000 2.854 ( 0.000 0.000 0.000) 0.000 2.990 ( -0.000 0.000 0.000) 0.000 3.124 ( -0.000 0.000 0.000) 0.000 3.184 ( 0.000 0.000 0.000) 0.000 3.366 ( 0.000 0.000 -0.000) 0.000 3.372 ( 0.000 0.000 0.000) 0.000 3.416 ( 0.000 0.000 0.000) 0.000 3.425 ( 0.000 0.000 -0.000) 0.000 3.491 ( 0.000 0.000 0.000) 0.000 3.562 ( 0.000 0.000 -0.000) 0.000 3.613 ( 0.000 0.000 0.000) 0.000 3.615 ( 0.000 0.000 0.000) 0.000 3.752 ( 0.000 0.000 0.000) 0.000 3.820 ( 0.000 0.000 0.000) 0.000 3.933 ( 0.000 0.000 -0.000) 0.000 4.170 ( 0.000 0.000 0.000) 0.000 4.216 ( 0.000 0.000 0.000) 0.000 4.271 ( 0.000 0.000 0.000) 0.000 6.364 ( 0.000 0.000 0.000) 0.000 6.369 ( 0.000 0.000 0.000) 0.000 6.391 ( 0.000 0.000 0.000) 0.000 6.407 ( 0.000 0.000 0.000) 0.000 6.778 ( 0.000 0.000 0.000) 0.000 6.822 ( 0.000 0.000 0.000) 0.000 6.854 ( 0.000 0.000 0.000) 0.000 6.899 ( 0.000 0.000 0.000) 0.000 7.126 ( -0.000 0.000 0.000) 0.000 7.157 ( 0.000 0.000 -0.000) 0.000 7.204 ( 0.000 0.000 0.000) 0.000 7.281 ( 0.000 0.000 0.000) 0.000 7.691 ( 0.000 0.000 0.000) 0.000 7.717 ( 0.000 0.000 0.000) 0.000 7.718 ( -0.000 0.000 -0.000) 0.000 7.858 ( 0.000 0.000 0.000) 0.000 8.015 ( 0.000 0.000 0.000) 0.000 8.062 ( 0.000 0.000 0.000) 0.000 8.133 ( 0.000 0.000 0.000) 0.000 8.206 ( 0.000 0.000 0.000) 0.000 8.778 ( 0.000 0.000 0.000) 0.000 8.821 ( 0.000 0.000 0.000) 0.000 8.838 ( 0.000 0.000 0.000) 0.000 8.878 ( 0.000 0.000 0.000) 0.000 8.979 ( -0.000 0.000 -0.000) 0.000 8.986 ( 0.000 0.000 0.000) 0.000 9.027 ( 0.000 0.000 0.000) 0.000 9.048 ( 0.000 0.000 0.000) 0.000 9.918 ( 0.000 0.000 0.000) 0.000 9.971 ( 0.000 0.000 0.000) 0.000 10.002 ( 0.000 0.000 0.000) 0.000 10.020 ( 0.000 0.000 -0.000) 0.000 11.376 ( 0.000 0.000 0.000) 0.000 11.411 ( 0.000 0.000 -0.000) 0.000 11.424 ( 0.000 0.000 0.000) 0.000 11.453 ( 0.000 0.000 0.000) 0.000 12.280 ( 0.000 0.000 0.000) 0.000 12.331 ( 0.000 0.000 0.000) 0.000 12.349 ( 0.000 0.000 0.000) 0.000 12.372 ( 0.000 0.000 0.000) 0.000 12.457 ( 0.000 0.000 0.000) 0.000 12.512 ( -0.000 0.000 -0.000) 0.000 12.513 ( 0.000 0.000 0.000) 0.000 12.545 ( 0.000 0.000 0.000) 0.000 12.650 ( 0.000 0.000 0.000) 0.000 12.685 ( 0.000 0.000 0.000) 0.000 12.784 ( 0.000 0.000 0.000) 0.000 12.799 ( 0.000 0.000 0.000) 0.000 13.153 ( 0.000 0.000 0.000) 0.000 13.155 ( 0.000 0.000 -0.000) 0.000 13.155 ( 0.000 0.000 0.000) 0.000 13.157 ( -0.000 0.000 -0.000) 0.000 13.445 ( 0.000 0.000 0.000) 0.000 13.478 ( 0.000 0.000 0.000) 0.000 13.515 ( 0.000 0.000 0.000) 0.000 13.576 ( 0.000 0.000 0.000) 0.000 13.654 ( 0.000 0.000 0.000) 0.000 13.661 ( 0.000 0.000 -0.000) 0.000 13.731 ( 0.000 0.000 0.000) 0.000 13.740 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/78) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.403 ( 0.000 19.675 0.000) 19.675 0.539 ( 0.000 26.443 0.000) 26.443 0.755 ( 0.000 33.276 0.000) 33.276 1.140 ( 0.000 -12.970 0.000) 12.970 1.423 ( 0.000 -15.393 0.000) 15.393 1.549 ( 0.000 -3.619 0.000) 3.619 1.692 ( 0.000 6.324 0.000) 6.324 1.796 ( 0.000 4.217 0.000) 4.217 1.875 ( 0.000 1.413 0.000) 1.413 1.983 ( 0.000 -3.809 0.000) 3.809 1.985 ( 0.000 -10.571 0.000) 10.571 2.172 ( 0.000 2.997 0.000) 2.997 2.212 ( 0.000 0.041 0.000) 0.041 2.223 ( 0.000 -3.205 0.000) 3.205 2.257 ( 0.000 -9.389 0.000) 9.389 2.356 ( 0.000 7.578 0.000) 7.578 2.462 ( 0.000 -2.032 0.000) 2.032 2.548 ( 0.000 -4.390 0.000) 4.390 2.574 ( 0.000 8.606 0.000) 8.606 2.700 ( 0.000 5.002 0.000) 5.002 2.716 ( 0.000 -0.035 0.000) 0.035 2.765 ( 0.000 -1.109 0.000) 1.109 2.875 ( 0.000 -0.050 0.000) 0.050 2.906 ( 0.000 2.683 0.000) 2.683 3.004 ( 0.000 -1.786 0.000) 1.786 3.009 ( 0.000 -0.584 0.000) 0.584 3.089 ( 0.000 -2.911 0.000) 2.911 3.124 ( 0.000 -6.751 0.000) 6.751 3.172 ( 0.000 6.818 0.000) 6.818 3.185 ( 0.000 2.328 0.000) 2.328 3.239 ( 0.000 -0.220 0.000) 0.220 3.372 ( 0.000 -0.023 0.000) 0.023 3.521 ( 0.000 -5.076 0.000) 5.076 3.526 ( 0.000 -1.678 0.000) 1.678 3.626 ( 0.000 -0.661 0.000) 0.661 3.719 ( 0.000 -0.964 0.000) 0.964 3.959 ( 0.000 8.326 0.000) 8.326 4.149 ( 0.000 0.034 0.000) 0.034 4.155 ( 0.000 -1.333 0.000) 1.333 4.163 ( 0.000 0.022 0.000) 0.022 4.359 ( 0.000 -0.675 0.000) 0.675 4.375 ( 0.000 -1.515 0.000) 1.515 6.399 ( 0.000 0.019 0.000) 0.019 6.406 ( 0.000 -0.226 0.000) 0.226 6.410 ( 0.000 0.132 0.000) 0.132 6.411 ( 0.000 0.077 0.000) 0.077 6.822 ( 0.000 -0.120 0.000) 0.120 6.825 ( 0.000 -0.325 0.000) 0.325 6.920 ( 0.000 0.237 0.000) 0.237 6.920 ( 0.000 0.140 0.000) 0.140 7.128 ( 0.000 1.000 0.000) 1.000 7.167 ( 0.000 -0.005 0.000) 0.005 7.169 ( 0.000 0.207 0.000) 0.207 7.181 ( 0.000 -0.822 0.000) 0.822 7.852 ( 0.000 0.332 0.000) 0.332 7.877 ( 0.000 -0.729 0.000) 0.729 7.904 ( 0.000 0.336 0.000) 0.336 7.914 ( 0.000 -0.176 0.000) 0.176 8.182 ( 0.000 0.069 0.000) 0.069 8.186 ( 0.000 -0.122 0.000) 0.122 8.207 ( 0.000 1.015 0.000) 1.015 8.245 ( 0.000 -0.554 0.000) 0.554 8.828 ( 0.000 0.253 0.000) 0.253 8.841 ( 0.000 -0.248 0.000) 0.248 8.878 ( 0.000 0.642 0.000) 0.642 8.878 ( 0.000 0.521 0.000) 0.521 8.894 ( 0.000 0.170 0.000) 0.170 8.910 ( 0.000 -0.680 0.000) 0.680 8.963 ( 0.000 -0.116 0.000) 0.116 8.981 ( 0.000 -0.664 0.000) 0.664 9.913 ( 0.000 -0.006 0.000) 0.006 9.916 ( 0.000 -0.089 0.000) 0.089 9.964 ( 0.000 0.625 0.000) 0.625 9.992 ( 0.000 -0.487 0.000) 0.487 11.418 ( 0.000 0.247 0.000) 0.247 11.432 ( 0.000 -0.362 0.000) 0.362 11.450 ( 0.000 0.281 0.000) 0.281 11.458 ( 0.000 -0.080 0.000) 0.080 12.313 ( 0.000 0.031 0.000) 0.031 12.316 ( 0.000 -0.181 0.000) 0.181 12.338 ( 0.000 0.489 0.000) 0.489 12.353 ( 0.000 -0.278 0.000) 0.278 12.378 ( 0.000 0.667 0.000) 0.667 12.404 ( 0.000 -0.471 0.000) 0.471 12.427 ( 0.000 0.619 0.000) 0.619 12.457 ( 0.000 -0.583 0.000) 0.583 12.671 ( 0.000 0.087 0.000) 0.087 12.675 ( 0.000 -0.060 0.000) 0.060 12.791 ( 0.000 0.185 0.000) 0.185 12.800 ( 0.000 -0.157 0.000) 0.157 13.116 ( 0.000 0.284 0.000) 0.284 13.137 ( 0.000 -0.594 0.000) 0.594 13.152 ( 0.000 0.048 0.000) 0.048 13.156 ( 0.000 -0.086 0.000) 0.086 13.425 ( 0.000 0.173 0.000) 0.173 13.439 ( 0.000 -0.458 0.000) 0.458 13.475 ( 0.000 0.676 0.000) 0.676 13.502 ( 0.000 -0.473 0.000) 0.473 13.649 ( 0.000 0.842 0.000) 0.842 13.698 ( 0.000 -1.242 0.000) 1.242 13.792 ( 0.000 0.967 0.000) 0.967 13.826 ( 0.000 -0.513 0.000) 0.513 ======================= Grid point 12 (8/78) ======================= q-point: ( 0.10 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( 16.873 12.476 1.538) 21.041 0.603 ( 12.717 15.776 6.481) 21.275 1.038 ( 14.882 5.920 1.518) 16.088 1.293 ( 9.990 -2.503 4.751) 11.342 1.364 ( 3.883 -7.560 5.289) 10.010 1.605 ( 1.963 4.318 -2.441) 5.335 1.722 ( 4.423 1.757 -2.607) 5.427 1.820 ( 1.283 2.299 3.169) 4.120 1.913 ( 2.432 1.693 -5.543) 6.285 1.927 ( 1.809 -4.474 -4.669) 6.715 1.979 ( 1.142 -2.206 -0.653) 2.569 2.153 ( -2.488 2.075 -3.051) 4.450 2.207 ( 1.360 -3.507 0.679) 3.822 2.267 ( -2.750 -5.526 2.276) 6.579 2.311 ( 1.865 0.310 2.776) 3.359 2.380 ( 2.878 3.551 2.491) 5.205 2.456 ( 0.808 -1.751 2.972) 3.543 2.546 ( 0.183 -0.958 -2.938) 3.095 2.605 ( 0.695 -0.128 -4.505) 4.560 2.617 ( -1.559 3.673 2.308) 4.610 2.723 ( 0.595 -2.435 -0.013) 2.507 2.820 ( -2.116 1.414 1.889) 3.170 2.868 ( -3.949 1.964 1.408) 4.630 2.896 ( 0.175 -4.438 3.394) 5.590 2.937 ( -1.727 -1.282 -0.965) 2.357 2.999 ( -1.705 1.604 -0.558) 2.407 3.056 ( -2.162 -1.854 -2.077) 3.526 3.117 ( 2.012 1.373 -3.283) 4.088 3.186 ( -1.695 -1.118 5.784) 6.130 3.213 ( 5.252 3.835 -4.558) 7.941 3.268 ( -0.090 -2.449 4.573) 5.188 3.359 ( -2.403 -1.822 2.883) 4.172 3.484 ( -1.851 -4.356 -2.625) 5.412 3.558 ( -0.848 -4.122 5.463) 6.896 3.674 ( 3.570 1.954 -1.579) 4.365 3.748 ( 2.075 -1.198 2.051) 3.154 3.911 ( -5.106 7.448 -1.175) 9.106 4.071 ( -8.651 2.349 -6.103) 10.845 4.126 ( -1.855 1.567 -1.560) 2.886 4.162 ( 0.170 -0.164 -0.195) 0.307 4.217 ( -3.203 4.132 -1.341) 5.397 4.347 ( -2.295 -2.346 -1.269) 3.519 6.399 ( -0.103 -0.083 0.182) 0.225 6.401 ( -0.587 -0.063 0.033) 0.591 6.411 ( -0.089 0.135 0.222) 0.275 6.420 ( -0.146 -0.350 0.829) 0.911 6.801 ( -1.256 0.814 0.058) 1.498 6.824 ( 0.034 -0.423 -0.317) 0.530 6.917 ( -0.039 0.332 -0.426) 0.541 6.963 ( 0.442 -2.603 1.596) 3.086 7.137 ( 1.437 0.914 -0.778) 1.872 7.144 ( -1.454 1.350 -0.278) 2.003 7.167 ( -0.199 -0.075 -0.241) 0.322 7.187 ( 0.092 -0.890 0.998) 1.340 7.847 ( -0.197 0.495 -0.236) 0.583 7.869 ( -0.400 -0.167 0.673) 0.801 7.904 ( -0.272 0.195 0.441) 0.553 7.918 ( -0.728 -0.850 -0.072) 1.122 8.162 ( -1.833 -0.061 -0.848) 2.021 8.164 ( -1.834 -0.135 -1.037) 2.111 8.195 ( -2.271 1.119 1.148) 2.780 8.233 ( -2.113 -0.382 1.111) 2.418 8.823 ( -0.622 0.324 0.157) 0.718 8.838 ( -0.428 -0.203 0.121) 0.489 8.867 ( -0.441 0.660 -0.296) 0.847 8.890 ( -0.302 -0.032 -0.401) 0.503 8.892 ( 1.002 0.406 0.168) 1.094 8.920 ( 1.174 -0.698 -0.016) 1.366 8.967 ( 0.862 0.113 -0.511) 1.008 8.987 ( 0.622 -0.643 0.224) 0.922 9.914 ( 0.109 0.096 -0.031) 0.149 9.919 ( 0.283 -0.085 0.143) 0.329 9.970 ( 0.800 0.387 -0.071) 0.892 9.989 ( 0.453 -0.392 -1.105) 1.257 11.415 ( -0.444 0.189 0.153) 0.506 11.424 ( -0.446 -0.107 -0.450) 0.643 11.443 ( -0.325 0.632 -0.191) 0.736 11.459 ( -0.272 -0.166 0.547) 0.633 12.310 ( -0.194 0.170 -0.455) 0.523 12.314 ( 0.172 -0.012 -0.077) 0.189 12.332 ( -0.280 0.629 -0.091) 0.694 12.357 ( 0.209 -0.353 -0.010) 0.411 12.397 ( 1.654 0.264 0.363) 1.714 12.417 ( 1.309 -0.457 0.328) 1.425 12.430 ( 0.745 0.730 -0.540) 1.175 12.462 ( 0.892 -0.550 -0.273) 1.083 12.675 ( 0.283 0.484 0.973) 1.123 12.686 ( 0.648 -0.139 1.103) 1.287 12.782 ( -0.694 0.050 -0.993) 1.213 12.789 ( -0.720 -0.161 -0.950) 1.203 13.117 ( 0.376 0.341 -0.260) 0.570 13.138 ( 0.343 -0.062 0.094) 0.361 13.150 ( 0.455 -0.002 -0.441) 0.634 13.159 ( 0.361 -0.084 -0.167) 0.406 13.415 ( -0.074 0.433 -0.891) 0.993 13.444 ( 0.324 -0.919 0.167) 0.989 13.482 ( 0.544 0.815 0.272) 1.017 13.507 ( 0.394 -0.388 0.377) 0.669 13.664 ( 0.687 0.641 1.551) 1.813 13.703 ( 0.195 -1.075 0.616) 1.254 13.777 ( -1.241 0.920 -0.819) 1.749 13.809 ( -1.392 -0.478 -0.987) 1.773 ======================= Grid point 13 (9/78) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 15.628 6.952 3.340) 17.427 0.970 ( 18.959 4.065 8.765) 21.279 1.172 ( 6.487 -6.875 -2.632) 9.812 1.353 ( 4.093 -9.608 3.619) 11.052 1.589 ( 1.602 6.198 -6.540) 9.151 1.699 ( 2.493 0.406 -9.547) 9.875 1.792 ( 12.851 6.147 -0.410) 14.251 1.820 ( 6.162 2.880 -0.869) 6.857 1.873 ( 1.158 -2.489 2.442) 3.674 1.942 ( 2.685 6.933 -1.559) 7.596 2.002 ( 4.368 0.147 -4.105) 5.996 2.088 ( -0.953 2.781 -2.488) 3.851 2.211 ( -2.236 -4.926 2.564) 5.987 2.280 ( -1.234 -2.552 -2.575) 3.830 2.332 ( 2.820 3.453 3.411) 5.613 2.420 ( -0.714 2.511 0.516) 2.661 2.495 ( -0.394 1.153 2.929) 3.173 2.541 ( 1.014 0.303 2.363) 2.589 2.589 ( -3.105 -0.107 -0.534) 3.152 2.654 ( 3.390 -4.197 2.068) 5.777 2.665 ( -2.211 -3.520 -4.486) 6.116 2.795 ( -0.538 -0.662 1.636) 1.845 2.838 ( -3.486 1.296 0.013) 3.719 2.870 ( -1.100 3.951 -0.965) 4.213 2.945 ( -3.659 -4.536 -2.560) 6.365 2.974 ( 1.614 -2.110 3.458) 4.361 3.063 ( 1.171 2.348 4.231) 4.979 3.156 ( 5.856 -0.814 0.479) 5.932 3.198 ( -4.655 -1.554 7.121) 8.648 3.229 ( 2.237 1.294 -4.748) 5.406 3.332 ( -0.223 -2.765 4.112) 4.960 3.359 ( 0.291 -4.181 2.980) 5.143 3.434 ( -1.482 -0.885 -0.193) 1.737 3.593 ( -2.747 -4.071 5.255) 7.193 3.675 ( -0.960 4.245 -3.304) 5.464 3.772 ( -0.267 2.475 -2.065) 3.235 3.817 ( -5.378 2.246 1.378) 5.989 3.870 ( -7.070 1.508 -3.569) 8.062 4.066 ( -2.778 2.565 -2.295) 4.423 4.168 ( 0.582 -0.636 -0.007) 0.863 4.206 ( 0.086 0.805 1.182) 1.433 4.290 ( -2.736 -2.856 -1.408) 4.198 6.390 ( -0.856 0.146 0.148) 0.881 6.399 ( -0.310 -0.272 0.380) 0.561 6.410 ( -0.317 0.157 0.088) 0.365 6.419 ( -0.633 -0.223 0.174) 0.693 6.786 ( -0.755 0.823 0.128) 1.124 6.821 ( 0.095 -0.656 -0.358) 0.754 6.907 ( -0.377 0.608 -0.822) 1.090 6.956 ( -1.240 -1.525 -0.709) 2.089 7.125 ( -0.099 1.136 -0.869) 1.434 7.156 ( 0.871 0.416 -0.364) 1.031 7.164 ( -0.168 0.156 1.341) 1.361 7.206 ( 0.783 -0.861 1.222) 1.688 7.836 ( -1.352 0.564 -0.039) 1.466 7.863 ( -2.098 -0.604 0.539) 2.249 7.889 ( -2.380 0.109 -0.252) 2.396 7.899 ( -0.983 -0.467 0.420) 1.167 8.110 ( -3.026 -0.006 -1.265) 3.280 8.118 ( -2.128 -0.468 -0.885) 2.352 8.165 ( -2.664 1.348 1.132) 3.193 8.207 ( -2.664 -0.481 1.626) 3.158 8.813 ( -0.868 0.513 0.231) 1.035 8.831 ( -0.709 0.040 0.379) 0.805 8.860 ( -0.199 0.260 -0.066) 0.334 8.876 ( -0.670 -0.109 -0.595) 0.902 8.914 ( 1.548 0.337 0.025) 1.584 8.943 ( 1.702 -0.803 -0.117) 1.886 8.982 ( 1.642 0.307 -0.357) 1.708 9.003 ( 1.018 -0.544 0.104) 1.159 9.916 ( 0.188 0.290 -0.058) 0.350 9.929 ( 0.567 -0.214 0.480) 0.773 9.984 ( 0.712 0.008 -1.456) 1.621 9.987 ( 1.336 -0.072 -0.153) 1.347 11.408 ( -0.683 0.102 0.154) 0.707 11.413 ( -0.449 -0.148 -0.228) 0.525 11.436 ( -0.355 0.709 0.046) 0.794 11.460 ( -0.406 -0.305 0.555) 0.752 12.303 ( -0.244 0.402 -0.231) 0.524 12.317 ( 0.513 -0.067 -0.254) 0.577 12.330 ( -0.012 0.500 0.110) 0.513 12.360 ( 0.170 -0.512 -0.000) 0.539 12.427 ( 1.593 0.195 -0.151) 1.612 12.443 ( 1.497 0.559 0.159) 1.606 12.449 ( 2.062 -0.165 0.088) 2.071 12.480 ( 1.689 -0.625 -0.264) 1.820 12.700 ( 0.876 0.327 1.860) 2.082 12.715 ( 0.939 -0.309 1.693) 1.961 12.750 ( -1.156 0.246 -1.739) 2.103 12.760 ( -1.089 -0.153 -1.528) 1.883 13.123 ( 0.620 0.346 -0.189) 0.734 13.147 ( 0.451 -0.622 -0.107) 0.776 13.157 ( 0.684 0.200 -0.152) 0.728 13.164 ( 0.463 -0.011 -0.199) 0.504 13.414 ( 0.766 0.604 -0.217) 1.000 13.451 ( 0.789 -1.046 -0.628) 1.453 13.497 ( 0.851 0.718 0.554) 1.244 13.519 ( 0.517 -0.324 0.252) 0.660 13.696 ( 0.581 0.234 2.162) 2.251 13.713 ( -0.215 -0.608 0.692) 0.946 13.741 ( -1.570 0.750 -1.037) 2.025 13.765 ( -2.064 -0.374 -1.665) 2.678 ======================= Grid point 14 (10/78) ======================= q-point: ( 0.30 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 10.489 3.240 2.389) 11.235 1.214 ( 3.529 -0.239 1.008) 3.678 1.272 ( 5.928 5.127 -0.097) 7.838 1.505 ( 7.885 -3.456 -2.976) 9.109 1.534 ( 3.546 -0.358 -3.459) 4.967 1.621 ( 1.239 -1.798 -7.782) 8.083 1.760 ( 6.940 -1.820 -2.511) 7.601 1.841 ( 1.276 -1.993 -1.145) 2.629 1.946 ( 1.701 4.631 -2.015) 5.329 2.006 ( 3.043 3.047 -4.302) 6.087 2.041 ( -0.457 2.578 -6.090) 6.629 2.136 ( -2.747 1.596 -2.177) 3.851 2.221 ( 6.338 -1.744 6.662) 9.359 2.253 ( -1.024 -2.420 2.960) 3.958 2.381 ( -5.407 -0.808 -3.475) 6.478 2.423 ( -1.366 0.982 3.816) 4.171 2.459 ( 1.699 -1.663 -0.170) 2.383 2.516 ( -0.675 3.244 1.523) 3.646 2.620 ( 2.575 0.806 2.862) 3.933 2.654 ( 0.455 -3.181 -2.545) 4.099 2.714 ( -0.814 -1.170 2.542) 2.914 2.772 ( -1.087 -0.506 -2.681) 2.937 2.799 ( -1.534 -1.190 -6.489) 6.774 2.824 ( -0.896 -0.696 3.769) 3.937 2.917 ( 4.946 4.291 0.541) 6.570 3.057 ( 1.745 2.179 4.749) 5.508 3.099 ( -2.103 5.475 -0.544) 5.891 3.177 ( -1.823 -1.051 1.414) 2.535 3.220 ( -2.280 -1.339 6.517) 7.033 3.281 ( 4.126 -1.783 4.779) 6.561 3.344 ( 0.746 0.103 -0.094) 0.759 3.426 ( 0.274 0.816 3.617) 3.718 3.449 ( 1.723 -3.236 2.936) 4.697 3.549 ( -3.070 -1.911 -1.962) 4.114 3.628 ( -2.277 -3.405 2.159) 4.631 3.660 ( -7.338 0.170 -3.154) 7.989 3.781 ( 1.317 2.321 -0.372) 2.694 3.821 ( -2.113 -0.418 0.159) 2.160 4.002 ( -1.960 3.328 -2.053) 4.374 4.169 ( 0.101 -2.547 -1.594) 3.007 4.226 ( 0.952 0.236 0.169) 0.996 4.245 ( -1.893 -1.268 1.026) 2.499 6.379 ( -0.666 0.311 0.248) 0.776 6.396 ( -0.389 0.041 -0.282) 0.482 6.399 ( -0.900 -0.311 0.219) 0.977 6.408 ( -0.668 -0.122 0.071) 0.682 6.780 ( -0.138 0.751 0.131) 0.775 6.818 ( -0.071 -0.833 -0.283) 0.882 6.889 ( -0.780 0.743 -0.698) 1.284 6.926 ( -1.042 -0.760 -1.159) 1.734 7.119 ( 0.323 0.826 -0.516) 1.026 7.155 ( -0.429 -0.688 0.374) 0.893 7.189 ( 1.020 1.106 0.968) 1.789 7.235 ( 1.147 -0.824 1.183) 1.842 7.794 ( -3.631 0.479 -0.369) 3.681 7.805 ( -4.275 0.166 -0.455) 4.303 7.836 ( -3.954 0.376 -0.375) 3.990 7.882 ( -2.049 -1.205 0.771) 2.499 8.054 ( -2.117 0.457 -0.960) 2.369 8.087 ( -1.154 -1.115 -0.356) 1.643 8.142 ( -1.142 1.569 0.551) 2.018 8.191 ( -1.451 -0.678 1.758) 2.378 8.802 ( -0.797 0.747 0.174) 1.106 8.825 ( -0.610 0.240 0.679) 0.944 8.854 ( -0.535 -0.141 -0.426) 0.699 8.864 ( -0.083 -0.160 0.124) 0.219 8.941 ( 1.710 0.282 -0.023) 1.734 8.967 ( 1.496 -0.769 -0.277) 1.704 9.007 ( 1.561 0.177 -0.029) 1.571 9.019 ( 1.115 -0.334 -0.201) 1.181 9.919 ( 0.252 0.450 -0.009) 0.515 9.945 ( 0.620 -0.678 0.621) 1.109 9.984 ( 0.883 0.632 -0.891) 1.404 10.007 ( 1.350 -0.374 -0.370) 1.449 11.397 ( -0.710 0.142 -0.113) 0.732 11.406 ( -0.382 -0.315 0.115) 0.508 11.433 ( -0.306 0.753 0.306) 0.868 11.457 ( -0.435 -0.337 0.323) 0.638 12.297 ( -0.252 0.674 -0.156) 0.736 12.324 ( 0.538 0.046 -0.058) 0.543 12.334 ( 0.256 0.065 0.168) 0.313 12.363 ( 0.175 -0.584 0.062) 0.613 12.445 ( 1.372 0.553 -0.573) 1.587 12.472 ( 1.569 -0.048 0.287) 1.595 12.482 ( 1.848 -0.001 0.185) 1.857 12.507 ( 1.851 -0.538 -0.157) 1.934 12.705 ( -1.327 0.184 -1.816) 2.257 12.719 ( -0.957 -0.472 -1.067) 1.509 12.743 ( 0.850 0.470 1.486) 1.775 12.756 ( 1.086 -0.112 1.637) 1.968 13.132 ( 0.630 0.186 0.044) 0.659 13.149 ( 0.112 -0.515 -0.111) 0.539 13.162 ( 0.213 0.100 -0.243) 0.338 13.168 ( 0.192 0.004 -0.185) 0.267 13.434 ( 1.519 0.400 0.306) 1.601 13.453 ( 0.738 -0.356 -1.266) 1.508 13.523 ( 1.234 -0.016 0.852) 1.500 13.526 ( 0.358 -0.108 -0.007) 0.374 13.690 ( -1.798 0.391 -0.632) 1.946 13.710 ( -1.529 -0.485 -1.094) 1.942 13.726 ( -0.195 0.187 1.068) 1.101 13.731 ( -0.014 -0.044 0.408) 0.411 ======================= Grid point 15 (11/78) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 0.008 0.779 -3.563) 3.647 1.220 ( 1.212 -0.507 -0.352) 1.360 1.374 ( 4.207 4.531 -9.147) 11.041 1.405 ( 3.374 4.204 2.880) 6.112 1.650 ( 6.178 -0.064 -0.542) 6.202 1.704 ( 7.426 -0.614 2.297) 7.797 1.804 ( -3.664 1.082 -3.017) 4.868 1.892 ( -4.217 1.034 3.824) 5.786 1.972 ( 3.769 0.407 -7.910) 8.772 1.981 ( 5.822 -3.277 0.073) 6.681 2.003 ( 2.184 3.035 -3.297) 4.985 2.113 ( -3.054 0.206 -0.053) 3.062 2.141 ( -1.300 -1.308 -1.148) 2.172 2.253 ( -0.166 -4.169 1.452) 4.418 2.384 ( -2.780 -1.039 1.490) 3.321 2.430 ( -1.395 -0.584 1.127) 1.886 2.496 ( -0.768 2.401 1.271) 2.823 2.520 ( 1.983 -2.185 1.088) 3.145 2.539 ( -5.766 -7.186 -2.333) 9.504 2.663 ( 0.436 3.457 -1.924) 3.980 2.734 ( 2.413 -1.727 0.861) 3.089 2.753 ( 0.400 4.943 -0.220) 4.964 2.805 ( 3.976 -0.413 -1.776) 4.374 2.842 ( 1.651 -0.166 -1.442) 2.198 2.932 ( -4.251 6.369 -1.029) 7.726 3.056 ( -1.796 1.337 2.357) 3.251 3.112 ( -2.640 0.610 4.246) 5.037 3.206 ( 0.971 2.148 2.605) 3.514 3.264 ( 1.260 -0.817 3.228) 3.560 3.334 ( -0.764 -3.703 -2.259) 4.404 3.381 ( 3.370 0.085 3.560) 4.903 3.440 ( -2.840 0.159 -1.880) 3.410 3.485 ( 3.581 1.498 3.565) 5.270 3.503 ( -1.676 0.417 0.334) 1.759 3.599 ( -2.306 -3.459 2.508) 4.855 3.654 ( 3.507 -3.388 1.496) 5.100 3.774 ( -2.891 0.279 -0.705) 2.989 3.791 ( 0.484 0.001 -1.229) 1.321 3.969 ( -0.246 3.189 -1.094) 3.381 4.139 ( -0.758 -4.012 -2.055) 4.571 4.230 ( 0.448 0.907 -0.192) 1.030 4.256 ( 0.066 -0.432 1.675) 1.731 6.373 ( -0.412 0.329 0.052) 0.530 6.379 ( -0.570 0.474 -0.374) 0.830 6.392 ( -0.586 -0.369 0.105) 0.701 6.402 ( -0.224 -0.443 0.229) 0.547 6.781 ( 0.044 0.497 0.056) 0.502 6.813 ( -0.176 -0.894 -0.240) 0.942 6.872 ( -0.589 0.848 -0.281) 1.070 6.903 ( -0.498 -0.500 -0.743) 1.024 7.123 ( 0.624 0.461 -0.331) 0.843 7.152 ( -0.555 -0.718 0.598) 1.087 7.211 ( 0.681 1.296 0.514) 1.551 7.262 ( 0.806 -0.832 0.711) 1.359 7.727 ( -3.404 0.283 -0.459) 3.446 7.741 ( -2.900 0.133 -0.480) 2.942 7.769 ( -3.388 1.288 -0.285) 3.636 7.854 ( -2.095 -1.733 0.641) 2.794 8.027 ( -0.613 0.760 -0.240) 1.006 8.067 ( -0.818 -0.917 -0.472) 1.317 8.141 ( 0.174 1.283 0.235) 1.316 8.193 ( -0.423 -0.897 1.122) 1.497 8.792 ( -0.497 0.925 0.046) 1.051 8.826 ( -0.259 0.256 0.750) 0.833 8.841 ( -0.437 0.014 -0.384) 0.582 8.868 ( 0.142 -0.595 0.211) 0.648 8.965 ( 1.264 0.144 0.057) 1.274 8.982 ( 0.685 -0.513 -0.341) 0.922 9.024 ( 0.537 0.126 0.012) 0.552 9.035 ( 1.061 -0.289 -0.184) 1.115 9.923 ( 0.190 0.584 0.021) 0.615 9.957 ( 0.383 -0.948 0.121) 1.029 9.995 ( 0.723 0.753 0.447) 1.136 10.019 ( 0.791 -0.345 -0.726) 1.128 11.385 ( -0.474 0.305 -0.185) 0.593 11.403 ( -0.215 -0.510 0.202) 0.589 11.433 ( -0.161 0.680 0.307) 0.763 11.453 ( -0.294 -0.267 0.088) 0.406 12.292 ( -0.171 0.872 -0.088) 0.893 12.333 ( 0.430 -0.009 0.106) 0.443 12.338 ( 0.145 -0.190 0.064) 0.248 12.366 ( 0.159 -0.508 0.094) 0.540 12.459 ( 0.869 0.689 -0.345) 1.161 12.495 ( 0.964 -0.628 0.071) 1.152 12.508 ( 1.050 0.326 0.168) 1.112 12.531 ( 1.187 -0.446 -0.095) 1.271 12.669 ( -0.895 0.394 -1.252) 1.589 12.691 ( -0.787 -0.508 -0.984) 1.359 12.774 ( 0.730 0.333 1.265) 1.498 12.786 ( 0.732 -0.143 1.056) 1.293 13.143 ( 0.498 -0.038 0.224) 0.548 13.150 ( 0.031 -0.257 0.158) 0.303 13.159 ( -0.156 0.066 -0.338) 0.378 13.165 ( -0.214 -0.041 -0.285) 0.359 13.450 ( 0.386 0.161 -0.957) 1.044 13.460 ( 1.098 -0.241 0.164) 1.136 13.526 ( 0.073 0.555 -0.104) 0.570 13.554 ( 1.137 -0.550 0.741) 1.464 13.663 ( -1.104 0.214 0.061) 1.126 13.674 ( -0.695 -0.210 -1.567) 1.727 13.733 ( -0.102 0.100 0.158) 0.213 13.737 ( -0.319 -0.053 1.011) 1.061 ======================= Grid point 16 (12/78) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( -0.000 0.507 0.000) 0.507 1.202 ( 0.000 -0.781 -0.000) 0.781 1.344 ( 0.000 5.660 0.000) 5.660 1.552 ( 0.000 -2.408 0.000) 2.408 1.628 ( -0.000 6.172 -0.000) 6.172 1.795 ( -0.000 -2.490 0.000) 2.490 1.795 ( 0.000 5.160 -0.000) 5.160 1.824 ( 0.000 4.428 0.000) 4.428 1.927 ( 0.000 -2.211 -0.000) 2.211 1.992 ( 0.000 1.700 0.000) 1.700 2.023 ( 0.000 0.314 0.000) 0.314 2.063 ( 0.000 -5.003 0.000) 5.003 2.192 ( 0.000 -2.340 0.000) 2.340 2.336 ( -0.000 -0.071 -0.000) 0.071 2.371 ( 0.000 -0.329 0.000) 0.329 2.377 ( 0.000 -6.178 0.000) 6.178 2.410 ( 0.000 -0.831 0.000) 0.831 2.523 ( 0.000 1.514 0.000) 1.514 2.553 ( 0.000 -5.567 0.000) 5.567 2.687 ( 0.000 4.657 0.000) 4.657 2.708 ( -0.000 3.901 -0.000) 3.901 2.774 ( 0.000 -3.998 -0.000) 3.998 2.822 ( 0.000 -0.786 0.000) 0.786 2.877 ( 0.000 10.170 0.000) 10.170 2.878 ( -0.000 0.834 0.000) 0.834 3.034 ( 0.000 2.156 0.000) 2.156 3.107 ( -0.000 -1.563 0.000) 1.563 3.244 ( 0.000 4.870 -0.000) 4.870 3.275 ( 0.000 -6.031 0.000) 6.031 3.307 ( 0.000 -5.301 0.000) 5.301 3.395 ( 0.000 -1.938 0.000) 1.938 3.439 ( 0.000 -1.172 0.000) 1.172 3.504 ( 0.000 2.711 0.000) 2.711 3.571 ( 0.000 0.998 -0.000) 0.998 3.590 ( 0.000 -1.459 0.000) 1.459 3.675 ( 0.000 3.002 0.000) 3.002 3.763 ( 0.000 0.558 0.000) 0.558 3.770 ( 0.000 -4.099 0.000) 4.099 3.963 ( 0.000 2.857 0.000) 2.857 4.120 ( 0.000 -3.915 0.000) 3.915 4.234 ( 0.000 1.047 0.000) 1.047 4.266 ( 0.000 -0.487 0.000) 0.487 6.367 ( 0.000 0.361 0.000) 0.361 6.375 ( 0.000 0.578 0.000) 0.578 6.387 ( 0.000 -0.409 0.000) 0.409 6.402 ( 0.000 -0.510 0.000) 0.510 6.782 ( 0.000 0.356 0.000) 0.356 6.810 ( 0.000 -0.914 0.000) 0.914 6.866 ( 0.000 0.878 0.000) 0.878 6.895 ( 0.000 -0.425 0.000) 0.425 7.128 ( 0.000 0.214 0.000) 0.214 7.151 ( 0.000 -0.608 -0.000) 0.608 7.219 ( 0.000 1.365 -0.000) 1.365 7.272 ( 0.000 -0.839 0.000) 0.839 7.695 ( 0.000 0.356 0.000) 0.356 7.714 ( 0.000 -0.400 0.000) 0.400 7.738 ( 0.000 2.030 0.000) 2.030 7.839 ( 0.000 -1.918 0.000) 1.918 8.022 ( 0.000 0.718 0.000) 0.718 8.056 ( 0.000 -0.611 0.000) 0.611 8.144 ( 0.000 1.078 0.000) 1.078 8.196 ( 0.000 -0.969 0.000) 0.969 8.788 ( 0.000 0.989 0.000) 0.989 8.831 ( 0.000 0.905 0.000) 0.905 8.832 ( 0.000 -0.619 -0.000) 0.619 8.871 ( 0.000 -0.727 -0.000) 0.727 8.978 ( -0.000 -0.070 -0.000) 0.070 8.983 ( 0.000 -0.227 0.000) 0.227 9.028 ( 0.000 0.199 0.000) 0.199 9.044 ( 0.000 -0.374 -0.000) 0.374 9.925 ( 0.000 0.649 0.000) 0.649 9.961 ( 0.000 -0.861 0.000) 0.861 10.007 ( 0.000 0.401 0.000) 0.401 10.019 ( 0.000 -0.138 -0.000) 0.138 11.380 ( 0.000 0.394 0.000) 0.394 11.402 ( 0.000 -0.602 -0.000) 0.602 11.433 ( 0.000 0.626 0.000) 0.626 11.451 ( 0.000 -0.217 0.000) 0.217 12.290 ( 0.000 0.939 0.000) 0.939 12.338 ( -0.000 -1.004 -0.000) 1.004 12.339 ( 0.000 0.677 0.000) 0.677 12.368 ( 0.000 -0.446 0.000) 0.446 12.464 ( 0.000 0.725 0.000) 0.725 12.503 ( 0.000 -0.842 -0.000) 0.842 12.517 ( 0.000 0.457 0.000) 0.457 12.541 ( 0.000 -0.423 0.000) 0.423 12.655 ( 0.000 0.456 0.000) 0.456 12.679 ( 0.000 -0.531 0.000) 0.531 12.787 ( 0.000 0.290 0.000) 0.290 12.798 ( 0.000 -0.128 0.000) 0.128 13.151 ( -0.000 -0.168 -0.000) 0.168 13.152 ( 0.000 -0.110 0.000) 0.110 13.156 ( 0.000 -0.023 0.000) 0.023 13.157 ( -0.000 0.020 -0.000) 0.020 13.448 ( 0.000 0.303 0.000) 0.303 13.469 ( 0.000 -0.669 0.000) 0.669 13.527 ( 0.000 1.009 0.000) 1.009 13.568 ( 0.000 -0.746 0.000) 0.746 13.655 ( -0.000 0.111 0.000) 0.111 13.660 ( 0.000 -0.088 -0.000) 0.088 13.733 ( 0.000 0.153 0.000) 0.153 13.739 ( 0.000 -0.095 0.000) 0.095 ======================= Grid point 22 (13/78) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 0.000 -16.911 0.000) 16.911 0.769 ( 0.000 16.911 0.000) 16.911 1.030 ( 0.000 -22.263 0.000) 22.263 1.030 ( 0.000 22.263 0.000) 22.263 1.386 ( 0.000 -17.636 0.000) 17.636 1.386 ( 0.000 17.636 0.000) 17.636 1.767 ( 0.000 -6.601 0.000) 6.601 1.767 ( 0.000 6.601 0.000) 6.601 1.882 ( 0.000 -1.720 0.000) 1.720 1.882 ( 0.000 1.720 0.000) 1.720 2.004 ( 0.000 -8.622 0.000) 8.622 2.004 ( 0.000 8.622 0.000) 8.622 2.206 ( 0.000 -1.525 0.000) 1.525 2.206 ( 0.000 1.525 0.000) 1.525 2.345 ( 0.000 -9.193 0.000) 9.193 2.345 ( 0.000 9.193 0.000) 9.193 2.474 ( 0.000 -3.829 0.000) 3.829 2.474 ( 0.000 3.829 0.000) 3.829 2.694 ( 0.000 -3.671 0.000) 3.671 2.694 ( 0.000 3.671 0.000) 3.671 2.755 ( 0.000 -0.738 0.000) 0.738 2.755 ( 0.000 0.738 0.000) 0.738 2.940 ( 0.000 -7.557 0.000) 7.557 2.940 ( 0.000 7.557 0.000) 7.557 2.971 ( 0.000 -2.455 0.000) 2.455 2.971 ( 0.000 2.455 0.000) 2.455 3.031 ( 0.000 -1.559 0.000) 1.559 3.031 ( 0.000 1.559 0.000) 1.559 3.225 ( 0.000 -1.337 0.000) 1.337 3.225 ( 0.000 1.337 0.000) 1.337 3.334 ( 0.000 -6.743 0.000) 6.743 3.334 ( 0.000 6.743 0.000) 6.743 3.450 ( 0.000 -1.750 0.000) 1.750 3.450 ( 0.000 1.750 0.000) 1.750 3.681 ( 0.000 -2.965 0.000) 2.965 3.681 ( 0.000 2.965 0.000) 2.965 4.089 ( 0.000 -4.691 0.000) 4.691 4.089 ( 0.000 4.691 0.000) 4.691 4.162 ( 0.000 -0.296 0.000) 0.296 4.162 ( 0.000 0.296 0.000) 0.296 4.352 ( 0.000 -0.355 0.000) 0.355 4.352 ( 0.000 0.355 0.000) 0.355 6.401 ( 0.000 -0.213 0.000) 0.213 6.401 ( 0.000 0.213 0.000) 0.213 6.412 ( 0.000 -0.004 0.000) 0.004 6.412 ( 0.000 0.004 0.000) 0.004 6.821 ( 0.000 -0.056 0.000) 0.056 6.821 ( 0.000 0.056 0.000) 0.056 6.922 ( 0.000 -0.021 0.000) 0.021 6.922 ( 0.000 0.021 0.000) 0.021 7.153 ( 0.000 -1.333 0.000) 1.333 7.153 ( 0.000 1.333 0.000) 1.333 7.172 ( 0.000 -0.097 0.000) 0.097 7.172 ( 0.000 0.097 0.000) 0.097 7.862 ( 0.000 -0.672 0.000) 0.672 7.862 ( 0.000 0.672 0.000) 0.672 7.910 ( 0.000 -0.270 0.000) 0.270 7.910 ( 0.000 0.270 0.000) 0.270 8.184 ( 0.000 -0.096 0.000) 0.096 8.184 ( 0.000 0.096 0.000) 0.096 8.229 ( 0.000 -1.055 0.000) 1.055 8.229 ( 0.000 1.055 0.000) 1.055 8.834 ( 0.000 -0.368 0.000) 0.368 8.834 ( 0.000 0.368 0.000) 0.368 8.890 ( 0.000 -0.375 0.000) 0.375 8.890 ( 0.000 0.375 0.000) 0.375 8.894 ( 0.000 -0.751 0.000) 0.751 8.894 ( 0.000 0.751 0.000) 0.751 8.967 ( 0.000 -0.548 0.000) 0.548 8.967 ( 0.000 0.548 0.000) 0.548 9.914 ( 0.000 -0.080 0.000) 0.080 9.914 ( 0.000 0.080 0.000) 0.080 9.979 ( 0.000 -0.765 0.000) 0.765 9.979 ( 0.000 0.765 0.000) 0.765 11.424 ( 0.000 -0.373 0.000) 0.373 11.424 ( 0.000 0.373 0.000) 0.373 11.455 ( 0.000 -0.196 0.000) 0.196 11.455 ( 0.000 0.196 0.000) 0.196 12.314 ( 0.000 -0.078 0.000) 0.078 12.314 ( 0.000 0.078 0.000) 0.078 12.347 ( 0.000 -0.375 0.000) 0.375 12.347 ( 0.000 0.375 0.000) 0.375 12.392 ( 0.000 -0.723 0.000) 0.723 12.392 ( 0.000 0.723 0.000) 0.723 12.442 ( 0.000 -0.840 0.000) 0.840 12.442 ( 0.000 0.840 0.000) 0.840 12.673 ( 0.000 -0.104 0.000) 0.104 12.673 ( 0.000 0.104 0.000) 0.104 12.796 ( 0.000 -0.241 0.000) 0.241 12.796 ( 0.000 0.241 0.000) 0.241 13.125 ( 0.000 -0.595 0.000) 0.595 13.125 ( 0.000 0.595 0.000) 0.595 13.154 ( 0.000 -0.126 0.000) 0.126 13.154 ( 0.000 0.126 0.000) 0.126 13.430 ( 0.000 -0.352 0.000) 0.352 13.430 ( 0.000 0.352 0.000) 0.352 13.490 ( 0.000 -0.707 0.000) 0.707 13.490 ( 0.000 0.707 0.000) 0.707 13.671 ( 0.000 -1.322 0.000) 1.322 13.671 ( 0.000 1.322 0.000) 1.322 13.811 ( 0.000 -0.907 0.000) 0.907 13.811 ( 0.000 0.907 0.000) 0.907 ======================= Grid point 24 (14/78) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 10.154 -14.725 -2.541) 18.066 0.851 ( 10.154 14.725 -2.541) 18.066 0.978 ( 0.526 -19.711 2.121) 19.832 0.978 ( 0.526 19.711 2.121) 19.832 1.621 ( 12.785 -8.000 10.086) 18.143 1.621 ( 12.785 8.000 10.086) 18.143 1.783 ( 3.840 -6.756 -3.962) 8.723 1.783 ( 3.840 6.756 -3.962) 8.723 1.853 ( 1.671 -4.114 -4.373) 6.233 1.853 ( 1.671 4.114 -4.373) 6.233 2.048 ( 2.902 -6.939 1.545) 7.679 2.048 ( 2.902 6.939 1.545) 7.679 2.217 ( 0.976 -1.133 -2.028) 2.519 2.217 ( 0.976 1.133 -2.028) 2.519 2.364 ( 1.455 -4.970 1.177) 5.311 2.364 ( 1.455 4.970 1.177) 5.311 2.484 ( -0.042 -5.001 2.954) 5.809 2.484 ( -0.042 5.001 2.954) 5.809 2.635 ( -3.039 -1.958 -4.677) 5.911 2.635 ( -3.039 1.958 -4.677) 5.911 2.757 ( -1.663 -5.675 1.253) 6.045 2.757 ( -1.663 5.675 1.253) 6.045 2.873 ( -0.808 -2.543 -0.719) 2.763 2.873 ( -0.808 2.543 -0.719) 2.763 2.969 ( -4.667 -4.868 0.577) 6.769 2.969 ( -4.667 4.868 0.577) 6.769 3.074 ( 3.693 -3.887 1.014) 5.457 3.074 ( 3.693 3.887 1.014) 5.457 3.204 ( -3.236 -2.591 1.642) 4.459 3.204 ( -3.236 2.591 1.642) 4.459 3.322 ( 0.345 -3.237 -1.643) 3.647 3.322 ( 0.345 3.237 -1.643) 3.647 3.467 ( -0.996 -3.361 3.866) 5.219 3.467 ( -0.996 3.361 3.866) 5.219 3.720 ( 3.200 -1.976 0.878) 3.862 3.720 ( 3.200 1.976 0.878) 3.862 4.030 ( -6.242 -4.375 -2.515) 8.027 4.030 ( -6.242 4.375 -2.515) 8.027 4.154 ( -0.341 -0.773 -0.550) 1.008 4.154 ( -0.341 0.773 -0.550) 1.008 4.292 ( -4.119 -3.149 -1.884) 5.517 4.292 ( -4.119 3.149 -1.884) 5.517 6.399 ( -0.325 -0.107 0.105) 0.358 6.399 ( -0.325 0.107 0.105) 0.358 6.414 ( -0.058 -0.228 0.378) 0.445 6.414 ( -0.058 0.228 0.378) 0.445 6.814 ( -0.742 -0.542 0.136) 0.929 6.814 ( -0.742 0.542 0.136) 0.929 6.930 ( 0.527 -1.039 -0.119) 1.171 6.930 ( 0.527 1.039 -0.119) 1.171 7.157 ( 0.801 -0.787 -1.165) 1.618 7.157 ( 0.801 0.787 -1.165) 1.618 7.166 ( -0.853 -0.947 1.180) 1.737 7.166 ( -0.853 0.947 1.180) 1.737 7.860 ( -0.252 -0.695 0.058) 0.742 7.860 ( -0.252 0.695 0.058) 0.742 7.908 ( -0.571 -0.238 0.233) 0.661 7.908 ( -0.571 0.238 0.233) 0.661 8.162 ( -1.839 -0.041 -1.067) 2.127 8.162 ( -1.839 0.041 -1.067) 2.127 8.218 ( -2.125 -1.041 1.182) 2.645 8.218 ( -2.125 1.041 1.182) 2.645 8.831 ( -0.431 -0.421 0.132) 0.617 8.831 ( -0.431 0.421 0.132) 0.617 8.882 ( -0.552 -0.703 -0.257) 0.930 8.882 ( -0.552 0.703 -0.257) 0.930 8.904 ( 1.082 -0.759 -0.047) 1.323 8.904 ( 1.082 0.759 -0.047) 1.323 8.973 ( 0.871 -0.592 -0.109) 1.059 8.973 ( 0.871 0.592 -0.109) 1.059 9.917 ( 0.226 -0.131 0.105) 0.282 9.917 ( 0.226 0.131 0.105) 0.282 9.980 ( 0.562 -0.538 -0.596) 0.980 9.980 ( 0.562 0.538 -0.596) 0.980 11.420 ( -0.411 -0.235 -0.158) 0.499 11.420 ( -0.411 0.235 -0.158) 0.499 11.453 ( -0.298 -0.421 0.199) 0.553 11.453 ( -0.298 0.421 0.199) 0.553 12.312 ( 0.040 -0.108 -0.238) 0.265 12.312 ( 0.040 0.108 -0.238) 0.265 12.346 ( -0.065 -0.676 -0.034) 0.680 12.346 ( -0.065 0.676 -0.034) 0.680 12.406 ( 1.375 -0.585 0.348) 1.534 12.406 ( 1.375 0.585 0.348) 1.534 12.447 ( 0.840 -0.904 -0.358) 1.285 12.447 ( 0.840 0.904 -0.358) 1.285 12.682 ( 0.458 -0.283 1.042) 1.173 12.682 ( 0.458 0.283 1.042) 1.173 12.785 ( -0.687 -0.215 -1.001) 1.233 12.785 ( -0.687 0.215 -1.001) 1.233 13.127 ( 0.403 -0.645 -0.148) 0.775 13.127 ( 0.403 0.645 -0.148) 0.775 13.155 ( 0.351 -0.265 -0.183) 0.476 13.155 ( 0.351 0.265 -0.183) 0.476 13.427 ( 0.116 -0.754 -0.448) 0.885 13.427 ( 0.116 0.754 -0.448) 0.885 13.497 ( 0.484 -0.649 0.427) 0.915 13.497 ( 0.484 0.649 0.427) 0.915 13.681 ( 0.435 -1.053 1.069) 1.562 13.681 ( 0.435 1.053 1.069) 1.562 13.795 ( -1.318 -0.842 -0.915) 1.812 13.795 ( -1.318 0.842 -0.915) 1.812 ======================= Grid point 26 (15/78) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 11.284 -8.104 0.838) 13.918 1.016 ( 11.284 8.104 0.838) 13.918 1.134 ( 11.025 -11.122 6.350) 16.899 1.134 ( 11.025 11.122 6.350) 16.899 1.701 ( 0.137 -4.311 -9.052) 10.027 1.701 ( 0.137 4.311 -9.052) 10.027 1.796 ( 0.569 -4.081 -4.360) 5.999 1.796 ( 0.569 4.081 -4.360) 5.999 1.974 ( 10.567 -4.658 -0.271) 11.551 1.974 ( 10.567 4.658 -0.271) 11.551 2.092 ( 1.485 -4.103 2.987) 5.288 2.092 ( 1.485 4.103 2.987) 5.288 2.181 ( -0.324 -4.630 -3.455) 5.786 2.181 ( -0.324 4.630 -3.455) 5.786 2.437 ( 3.198 -4.781 1.188) 5.874 2.437 ( 3.198 4.781 1.188) 5.874 2.499 ( 0.702 -7.117 0.071) 7.152 2.499 ( 0.702 7.117 0.071) 7.152 2.589 ( -0.927 -1.626 3.278) 3.775 2.589 ( -0.927 1.626 3.278) 3.775 2.707 ( -3.858 -6.901 -0.941) 7.962 2.707 ( -3.858 6.901 -0.941) 7.962 2.866 ( -4.150 -2.602 1.438) 5.105 2.866 ( -4.150 2.602 1.438) 5.105 2.948 ( 4.055 -2.475 1.978) 5.146 2.948 ( 4.055 2.475 1.978) 5.146 3.129 ( 3.123 -4.022 -0.614) 5.129 3.129 ( 3.123 4.022 -0.614) 5.129 3.180 ( -2.346 -1.020 3.401) 4.255 3.180 ( -2.346 1.020 3.401) 4.255 3.320 ( -0.628 -1.609 1.716) 2.435 3.320 ( -0.628 1.609 1.716) 2.435 3.487 ( -1.680 -5.341 3.896) 6.821 3.487 ( -1.680 5.341 3.896) 6.821 3.761 ( 1.091 -3.158 -2.616) 4.243 3.761 ( 1.091 3.158 -2.616) 4.243 3.863 ( -8.862 -1.728 -1.950) 9.237 3.863 ( -8.862 1.728 -1.950) 9.237 4.135 ( -1.406 -3.118 -1.184) 3.619 4.135 ( -1.406 3.118 -1.184) 3.619 4.233 ( -1.564 -2.193 -0.121) 2.696 4.233 ( -1.564 2.193 -0.121) 2.696 6.394 ( -0.618 -0.227 0.329) 0.736 6.394 ( -0.618 0.227 0.329) 0.736 6.414 ( -0.375 -0.246 0.042) 0.450 6.414 ( -0.375 0.246 0.042) 0.450 6.804 ( -0.493 -0.964 0.031) 1.084 6.804 ( -0.493 0.964 0.031) 1.084 6.926 ( -0.384 -1.316 -0.766) 1.570 6.926 ( -0.384 1.316 -0.766) 1.570 7.147 ( -0.325 -0.942 -0.620) 1.174 7.147 ( -0.325 0.942 -0.620) 1.174 7.184 ( 0.888 -1.268 1.216) 1.969 7.184 ( 0.888 1.268 1.216) 1.969 7.851 ( -1.483 -0.758 0.170) 1.674 7.851 ( -1.483 0.758 0.170) 1.674 7.891 ( -1.841 -0.300 0.122) 1.869 7.891 ( -1.841 0.300 0.122) 1.869 8.112 ( -2.604 -0.202 -1.192) 2.871 8.112 ( -2.604 0.202 -1.192) 2.871 8.191 ( -2.683 -1.093 1.436) 3.233 8.191 ( -2.683 1.093 1.436) 3.233 8.825 ( -0.593 -0.576 0.288) 0.875 8.825 ( -0.593 0.576 0.288) 0.875 8.869 ( -0.668 -0.525 -0.252) 0.886 8.869 ( -0.668 0.525 -0.252) 0.886 8.925 ( 1.637 -0.820 -0.138) 1.836 8.925 ( 1.637 0.820 -0.138) 1.836 8.991 ( 1.390 -0.553 -0.114) 1.500 8.991 ( 1.390 0.553 -0.114) 1.500 9.923 ( 0.357 -0.362 0.181) 0.540 9.923 ( 0.357 0.362 0.181) 0.540 9.985 ( 1.041 -0.074 -0.763) 1.293 9.985 ( 1.041 0.074 -0.763) 1.293 11.410 ( -0.574 -0.131 -0.107) 0.598 11.410 ( -0.574 0.131 -0.107) 0.598 11.450 ( -0.404 -0.621 0.334) 0.813 11.450 ( -0.404 0.621 0.334) 0.813 12.311 ( 0.193 -0.435 -0.226) 0.527 12.311 ( 0.193 0.435 -0.226) 0.527 12.345 ( -0.011 -0.875 0.004) 0.875 12.345 ( -0.011 0.875 0.004) 0.875 12.435 ( 1.684 -0.589 0.181) 1.793 12.435 ( 1.684 0.589 0.181) 1.793 12.464 ( 1.724 -0.966 -0.244) 1.991 12.464 ( 1.724 0.966 -0.244) 1.991 12.708 ( 0.788 -0.404 1.700) 1.917 12.708 ( 0.788 0.404 1.700) 1.917 12.756 ( -1.020 -0.258 -1.576) 1.895 12.756 ( -1.020 0.258 -1.576) 1.895 13.133 ( 0.505 -0.655 -0.199) 0.850 13.133 ( 0.505 0.655 -0.199) 0.850 13.161 ( 0.533 -0.208 -0.134) 0.588 13.161 ( 0.533 0.208 -0.134) 0.588 13.430 ( 0.799 -0.993 -0.284) 1.306 13.430 ( 0.799 0.993 -0.284) 1.306 13.510 ( 0.652 -0.558 0.260) 0.896 13.510 ( 0.652 0.558 0.260) 0.896 13.702 ( 0.269 -0.439 1.532) 1.616 13.702 ( 0.269 0.439 1.532) 1.616 13.755 ( -1.887 -0.637 -1.449) 2.463 13.755 ( -1.887 0.637 -1.449) 2.463 ======================= Grid point 28 (16/78) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 5.832 -3.071 2.163) 6.937 1.178 ( 5.832 3.071 2.163) 6.937 1.399 ( 11.900 -6.501 2.398) 13.770 1.399 ( 11.900 6.501 2.398) 13.770 1.568 ( -0.213 -3.020 -8.408) 8.937 1.568 ( -0.213 3.020 -8.408) 8.937 1.775 ( 4.781 -3.124 -4.428) 7.226 1.775 ( 4.781 3.124 -4.428) 7.226 2.024 ( 0.823 -2.593 -4.111) 4.930 2.024 ( 0.823 2.593 -4.111) 4.930 2.116 ( 0.393 -3.400 -2.972) 4.532 2.116 ( 0.393 3.400 -2.972) 4.532 2.198 ( -1.988 -1.566 3.413) 4.249 2.198 ( -1.988 1.566 3.413) 4.249 2.411 ( 0.767 -1.671 -0.194) 1.849 2.411 ( 0.767 1.671 -0.194) 1.849 2.528 ( -5.888 -7.145 -1.175) 9.332 2.528 ( -5.888 7.145 -1.175) 9.332 2.610 ( 1.879 -3.668 1.821) 4.506 2.610 ( 1.879 3.668 1.821) 4.506 2.679 ( -0.044 -0.745 4.102) 4.169 2.679 ( -0.044 0.745 4.102) 4.169 2.835 ( 1.631 -0.901 -2.833) 3.391 2.835 ( 1.631 0.901 -2.833) 3.391 3.038 ( 2.228 -6.115 0.488) 6.526 3.038 ( 2.228 6.115 0.488) 6.526 3.186 ( -2.593 -2.081 3.132) 4.568 3.186 ( -2.593 2.081 3.132) 4.568 3.211 ( 5.529 -4.300 5.209) 8.729 3.211 ( 5.529 4.300 5.209) 8.729 3.347 ( 1.734 -2.285 2.531) 3.825 3.347 ( 1.734 2.285 2.531) 3.825 3.497 ( -1.829 -5.032 3.614) 6.459 3.497 ( -1.829 5.032 3.614) 6.459 3.631 ( -6.938 -2.973 -4.962) 9.033 3.631 ( -6.938 2.973 -4.962) 9.033 3.810 ( -0.879 -0.739 0.253) 1.176 3.810 ( -0.879 0.739 0.253) 1.176 4.089 ( -1.670 -4.901 -2.088) 5.583 4.089 ( -1.670 4.901 -2.088) 5.583 4.230 ( 0.140 -0.309 0.965) 1.022 4.230 ( 0.140 0.309 0.965) 1.022 6.388 ( -0.623 -0.511 0.475) 0.935 6.388 ( -0.623 0.511 0.475) 0.935 6.403 ( -0.649 -0.313 -0.356) 0.804 6.403 ( -0.649 0.313 -0.356) 0.804 6.799 ( -0.218 -1.040 -0.064) 1.065 6.799 ( -0.218 1.040 -0.064) 1.065 6.907 ( -0.760 -1.014 -0.848) 1.525 6.907 ( -0.760 1.014 -0.848) 1.525 7.138 ( -0.203 -0.975 -0.159) 1.008 7.138 ( -0.203 0.975 -0.159) 1.008 7.213 ( 1.165 -1.278 1.096) 2.047 7.213 ( 1.165 1.278 1.096) 2.047 7.804 ( -3.873 -0.376 -0.595) 3.937 7.804 ( -3.873 0.376 -0.595) 3.937 7.854 ( -2.986 -1.367 0.336) 3.301 7.854 ( -2.986 1.367 0.336) 3.301 8.067 ( -1.569 -0.846 -0.656) 1.899 8.067 ( -1.569 0.846 -0.656) 1.899 8.171 ( -1.403 -1.276 1.187) 2.237 8.171 ( -1.403 1.276 1.187) 2.237 8.819 ( -0.544 -0.826 0.329) 1.043 8.819 ( -0.544 0.826 0.329) 1.043 8.858 ( -0.484 -0.442 -0.073) 0.659 8.858 ( -0.484 0.442 -0.073) 0.659 8.951 ( 1.632 -0.760 -0.148) 1.806 8.951 ( 1.632 0.760 -0.148) 1.806 9.012 ( 1.345 -0.318 -0.109) 1.387 9.012 ( 1.345 0.318 -0.109) 1.387 9.931 ( 0.385 -0.697 0.200) 0.821 9.931 ( 0.385 0.697 0.200) 0.821 9.997 ( 1.176 -0.612 -0.526) 1.426 9.997 ( 1.176 0.612 -0.526) 1.426 11.400 ( -0.548 -0.217 -0.031) 0.590 11.400 ( -0.548 0.217 -0.031) 0.590 11.447 ( -0.380 -0.654 0.330) 0.825 11.447 ( -0.380 0.654 0.330) 0.825 12.313 ( 0.176 -0.850 -0.128) 0.878 12.313 ( 0.176 0.850 -0.128) 0.878 12.347 ( 0.170 -0.902 0.110) 0.924 12.347 ( 0.170 0.902 0.110) 0.924 12.460 ( 1.417 -0.852 -0.180) 1.663 12.460 ( 1.417 0.852 -0.180) 1.663 12.494 ( 1.901 -0.788 0.050) 2.058 12.494 ( 1.901 0.788 0.050) 2.058 12.710 ( -1.140 -0.390 -1.368) 1.823 12.710 ( -1.140 0.390 -1.368) 1.823 12.751 ( 0.961 -0.319 1.489) 1.801 12.751 ( 0.961 0.319 1.489) 1.801 13.139 ( 0.373 -0.466 -0.036) 0.598 13.139 ( 0.373 0.466 -0.036) 0.598 13.166 ( 0.173 -0.173 -0.210) 0.322 13.166 ( 0.173 0.173 -0.210) 0.322 13.444 ( 1.180 -0.544 -0.382) 1.354 13.444 ( 1.180 0.544 -0.382) 1.354 13.524 ( 0.725 -0.117 0.350) 0.813 13.524 ( 0.725 0.117 0.350) 0.813 13.700 ( -1.635 -0.560 -0.826) 1.915 13.700 ( -1.635 0.560 -0.826) 1.915 13.729 ( -0.113 -0.113 0.680) 0.699 13.729 ( -0.113 0.113 0.680) 0.699 ======================= Grid point 30 (17/78) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -0.554 -0.585 -2.249) 2.389 1.211 ( -0.554 0.585 -2.249) 2.389 1.446 ( 3.997 -1.243 -3.646) 5.551 1.446 ( 3.997 1.243 -3.646) 5.551 1.670 ( 8.330 -1.876 -0.575) 8.558 1.670 ( 8.330 1.876 -0.575) 8.558 1.852 ( 2.949 -3.724 0.601) 4.789 1.852 ( 2.949 3.724 0.601) 4.789 1.968 ( 2.119 -1.290 -2.962) 3.864 1.968 ( 2.119 1.290 -2.962) 3.864 2.098 ( -1.431 -4.283 -0.372) 4.531 2.098 ( -1.431 4.283 -0.372) 4.531 2.141 ( -4.891 -3.545 1.028) 6.127 2.141 ( -4.891 3.545 1.028) 6.127 2.405 ( -4.362 -3.371 -1.352) 5.676 2.405 ( -4.362 3.371 -1.352) 5.676 2.446 ( -0.256 -2.173 0.337) 2.214 2.446 ( -0.256 2.173 0.337) 2.214 2.644 ( 0.328 -6.421 1.872) 6.697 2.644 ( 0.328 6.421 1.872) 6.697 2.734 ( 2.739 -2.978 0.612) 4.093 2.734 ( 2.739 2.978 0.612) 4.093 2.842 ( 1.512 -1.912 -1.753) 3.003 2.842 ( 1.512 1.912 -1.753) 3.003 3.054 ( 0.693 -4.477 0.828) 4.605 3.054 ( 0.693 4.477 0.828) 4.605 3.132 ( -5.286 -5.499 0.855) 7.676 3.132 ( -5.286 5.499 0.855) 7.676 3.327 ( 0.807 -3.591 1.290) 3.900 3.327 ( 0.807 3.591 1.290) 3.900 3.383 ( -0.310 -4.927 -1.362) 5.121 3.383 ( -0.310 4.927 -1.362) 5.121 3.523 ( 1.268 -1.750 4.004) 4.550 3.523 ( 1.268 1.750 4.004) 4.550 3.566 ( 1.957 -3.618 2.144) 4.639 3.566 ( 1.957 3.618 2.144) 4.639 3.787 ( -1.453 -0.700 -1.145) 1.978 3.787 ( -1.453 0.700 -1.145) 1.978 4.050 ( -0.714 -4.656 -1.526) 4.951 4.050 ( -0.714 4.656 -1.526) 4.951 4.245 ( 0.351 -0.638 0.773) 1.062 4.245 ( 0.351 0.638 0.773) 1.062 6.382 ( -0.589 -0.480 0.174) 0.780 6.382 ( -0.589 0.480 0.174) 0.780 6.391 ( -0.281 -0.607 -0.173) 0.691 6.391 ( -0.281 0.607 -0.173) 0.691 6.795 ( -0.141 -0.856 -0.134) 0.878 6.795 ( -0.141 0.856 -0.134) 0.878 6.889 ( -0.502 -0.837 -0.462) 1.079 6.889 ( -0.502 0.837 -0.462) 1.079 7.136 ( -0.028 -0.810 0.057) 0.813 7.136 ( -0.028 0.810 0.057) 0.813 7.239 ( 0.769 -1.397 0.661) 1.726 7.239 ( 0.769 1.397 0.661) 1.726 7.735 ( -3.226 -0.490 -0.638) 3.325 7.735 ( -3.226 0.490 -0.638) 3.325 7.810 ( -2.572 -2.435 0.290) 3.553 7.810 ( -2.572 2.435 0.290) 3.553 8.046 ( -0.627 -1.083 -0.235) 1.273 8.046 ( -0.627 1.083 -0.235) 1.273 8.169 ( -0.263 -1.420 0.630) 1.575 8.169 ( -0.263 1.420 0.630) 1.575 8.814 ( -0.348 -1.143 0.187) 1.209 8.814 ( -0.348 1.143 0.187) 1.209 8.853 ( -0.185 -0.876 0.076) 0.898 8.853 ( -0.185 0.876 0.076) 0.898 8.971 ( 0.997 -0.476 -0.098) 1.109 8.971 ( 0.997 0.476 -0.098) 1.109 9.029 ( 0.794 -0.311 -0.087) 0.857 9.029 ( 0.794 0.311 -0.087) 0.857 9.939 ( 0.275 -0.915 0.157) 0.968 9.939 ( 0.275 0.915 0.157) 0.968 10.009 ( 0.776 -0.607 -0.228) 1.011 10.009 ( 0.776 0.607 -0.228) 1.011 11.393 ( -0.341 -0.460 -0.001) 0.573 11.393 ( -0.341 0.460 -0.001) 0.573 11.445 ( -0.233 -0.547 0.201) 0.628 11.445 ( -0.233 0.547 0.201) 0.628 12.314 ( 0.058 -1.213 -0.058) 1.215 12.314 ( 0.058 1.213 -0.058) 1.215 12.352 ( 0.227 -0.864 0.138) 0.904 12.352 ( 0.227 0.864 0.138) 0.904 12.477 ( 0.867 -1.033 -0.160) 1.358 12.477 ( 0.867 1.033 -0.160) 1.358 12.519 ( 1.162 -0.688 0.048) 1.351 12.519 ( 1.162 0.688 0.048) 1.351 12.679 ( -0.835 -0.609 -1.083) 1.497 12.679 ( -0.835 0.609 -1.083) 1.497 12.781 ( 0.725 -0.312 1.134) 1.381 12.781 ( 0.725 0.312 1.134) 1.381 13.145 ( 0.258 -0.214 0.202) 0.392 13.145 ( 0.258 0.214 0.202) 0.392 13.162 ( -0.189 -0.172 -0.321) 0.410 13.162 ( -0.189 0.172 -0.321) 0.410 13.454 ( 0.663 -0.272 -0.514) 0.882 13.454 ( 0.663 0.272 -0.514) 0.882 13.540 ( 0.645 -0.763 0.488) 1.112 13.540 ( 0.645 0.763 0.488) 1.112 13.668 ( -0.859 -0.294 -0.815) 1.220 13.668 ( -0.859 0.294 -0.815) 1.220 13.735 ( -0.212 -0.106 0.597) 0.642 13.735 ( -0.212 0.106 0.597) 0.642 ======================= Grid point 32 (18/78) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 0.000 -0.557 0.000) 0.557 1.190 ( 0.000 0.557 0.000) 0.557 1.466 ( 0.000 -5.937 0.000) 5.937 1.466 ( 0.000 5.937 0.000) 5.937 1.724 ( 0.000 -4.100 0.000) 4.100 1.724 ( -0.000 4.100 0.000) 4.100 1.870 ( 0.000 -3.423 0.000) 3.423 1.870 ( 0.000 3.423 0.000) 3.423 1.978 ( -0.000 -5.072 0.000) 5.072 1.978 ( 0.000 5.072 -0.000) 5.072 2.078 ( 0.000 -3.947 -0.000) 3.947 2.078 ( -0.000 3.947 0.000) 3.947 2.127 ( 0.000 -11.945 0.000) 11.945 2.127 ( -0.000 11.945 -0.000) 11.945 2.377 ( -0.000 -1.071 0.000) 1.071 2.377 ( 0.000 1.071 -0.000) 1.071 2.423 ( -0.000 -6.481 0.000) 6.481 2.423 ( 0.000 6.481 0.000) 6.481 2.655 ( 0.000 -7.124 0.000) 7.124 2.655 ( 0.000 7.124 0.000) 7.124 2.759 ( 0.000 -0.134 -0.000) 0.134 2.759 ( 0.000 0.134 0.000) 0.134 2.847 ( 0.000 -3.375 0.000) 3.375 2.847 ( 0.000 3.375 0.000) 3.375 3.059 ( 0.000 -3.910 0.000) 3.910 3.059 ( 0.000 3.910 0.000) 3.910 3.106 ( -0.000 -8.983 -0.000) 8.983 3.106 ( 0.000 8.983 -0.000) 8.983 3.284 ( 0.000 -1.654 0.000) 1.654 3.284 ( 0.000 1.654 -0.000) 1.654 3.397 ( 0.000 -3.039 0.000) 3.039 3.397 ( 0.000 3.039 0.000) 3.039 3.549 ( 0.000 -1.903 0.000) 1.903 3.549 ( 0.000 1.903 0.000) 1.903 3.635 ( 0.000 -4.533 -0.000) 4.533 3.635 ( 0.000 4.533 -0.000) 4.533 3.757 ( 0.000 -1.256 0.000) 1.256 3.757 ( 0.000 1.256 0.000) 1.256 4.036 ( 0.000 -4.239 0.000) 4.239 4.036 ( 0.000 4.239 0.000) 4.239 4.253 ( 0.000 -0.827 0.000) 0.827 4.253 ( 0.000 0.827 -0.000) 0.827 6.377 ( 0.000 -0.551 0.000) 0.551 6.377 ( 0.000 0.551 -0.000) 0.551 6.389 ( 0.000 -0.756 0.000) 0.756 6.389 ( 0.000 0.756 -0.000) 0.756 6.793 ( 0.000 -0.748 0.000) 0.748 6.793 ( 0.000 0.748 0.000) 0.748 6.883 ( 0.000 -0.779 0.000) 0.779 6.883 ( 0.000 0.779 0.000) 0.779 7.137 ( 0.000 -0.675 0.000) 0.675 7.137 ( 0.000 0.675 0.000) 0.675 7.249 ( 0.000 -1.459 -0.000) 1.459 7.249 ( 0.000 1.459 0.000) 1.459 7.704 ( 0.000 -0.515 0.000) 0.515 7.704 ( 0.000 0.515 0.000) 0.515 7.789 ( 0.000 -2.820 0.000) 2.820 7.789 ( 0.000 2.820 0.000) 2.820 8.040 ( 0.000 -0.946 0.000) 0.946 8.040 ( 0.000 0.946 0.000) 0.946 8.171 ( 0.000 -1.435 0.000) 1.435 8.171 ( 0.000 1.435 0.000) 1.435 8.813 ( 0.000 -1.294 0.000) 1.294 8.813 ( 0.000 1.294 0.000) 1.294 8.852 ( 0.000 -1.076 0.000) 1.076 8.852 ( 0.000 1.076 0.000) 1.076 8.979 ( 0.000 -0.152 0.000) 0.152 8.979 ( 0.000 0.152 0.000) 0.152 9.035 ( 0.000 -0.435 0.000) 0.435 9.035 ( 0.000 0.435 0.000) 0.435 9.942 ( 0.000 -0.985 0.000) 0.985 9.942 ( 0.000 0.985 0.000) 0.985 10.014 ( 0.000 -0.298 0.000) 0.298 10.014 ( 0.000 0.298 0.000) 0.298 11.390 ( 0.000 -0.587 0.000) 0.587 11.390 ( 0.000 0.587 -0.000) 0.587 11.444 ( 0.000 -0.474 0.000) 0.474 11.444 ( 0.000 0.474 0.000) 0.474 12.314 ( 0.000 -1.346 -0.000) 1.346 12.314 ( 0.000 1.346 0.000) 1.346 12.355 ( 0.000 -0.844 0.000) 0.844 12.355 ( 0.000 0.844 0.000) 0.844 12.483 ( 0.000 -1.091 0.000) 1.091 12.483 ( 0.000 1.091 0.000) 1.091 12.529 ( 0.000 -0.663 0.000) 0.663 12.529 ( 0.000 0.663 0.000) 0.663 12.666 ( 0.000 -0.671 0.000) 0.671 12.666 ( 0.000 0.671 0.000) 0.671 12.793 ( 0.000 -0.279 0.000) 0.279 12.793 ( 0.000 0.279 0.000) 0.279 13.150 ( 0.000 -0.021 0.000) 0.021 13.150 ( 0.000 0.021 -0.000) 0.021 13.157 ( 0.000 -0.027 0.000) 0.027 13.157 ( 0.000 0.027 0.000) 0.027 13.456 ( 0.000 -0.564 0.000) 0.564 13.456 ( 0.000 0.564 0.000) 0.564 13.549 ( 0.000 -1.102 0.000) 1.102 13.549 ( 0.000 1.102 0.000) 1.102 13.657 ( 0.000 -0.127 0.000) 0.127 13.657 ( 0.000 0.127 0.000) 0.127 13.736 ( 0.000 -0.174 0.000) 0.174 13.736 ( 0.000 0.174 0.000) 0.174 ======================= Grid point 55 (19/78) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( -0.137 0.000 20.015) 20.016 0.479 ( 0.940 0.000 22.073) 22.093 0.679 ( 3.444 0.000 31.692) 31.879 1.364 ( 0.645 0.000 0.083) 0.650 1.441 ( -1.977 0.000 -7.090) 7.360 1.495 ( -2.679 0.000 -11.935) 12.232 1.615 ( 3.541 0.000 -0.755) 3.621 1.790 ( 0.002 0.000 -6.953) 6.953 1.797 ( 3.600 0.000 4.681) 5.905 1.950 ( -2.833 0.000 -6.571) 7.155 2.070 ( -1.894 0.000 -0.113) 1.897 2.140 ( -3.425 0.000 -2.061) 3.997 2.256 ( 2.120 0.000 -5.597) 5.985 2.265 ( -1.295 0.000 -0.241) 1.318 2.376 ( -4.889 0.000 2.986) 5.728 2.378 ( 4.369 0.000 6.606) 7.921 2.476 ( -0.328 0.000 -4.354) 4.367 2.536 ( 8.133 0.000 7.339) 10.955 2.589 ( -0.058 0.000 -2.310) 2.310 2.621 ( -2.237 0.000 2.361) 3.253 2.771 ( 2.178 0.000 4.027) 4.578 2.778 ( 5.832 0.000 -3.358) 6.729 2.898 ( 1.589 0.000 0.394) 1.637 2.899 ( -2.305 0.000 -2.209) 3.193 2.919 ( 5.892 0.000 -9.579) 11.246 2.992 ( 0.293 0.000 -2.946) 2.960 3.009 ( -1.105 0.000 5.844) 5.948 3.055 ( -3.964 0.000 -0.548) 4.002 3.108 ( -4.009 0.000 1.212) 4.188 3.303 ( 3.268 0.000 3.386) 4.706 3.350 ( 6.066 0.000 6.288) 8.737 3.428 ( 2.141 0.000 4.489) 4.974 3.606 ( -13.217 0.000 1.545) 13.307 3.643 ( -5.505 0.000 -3.306) 6.421 3.667 ( 1.281 0.000 4.068) 4.265 3.770 ( -0.933 0.000 -2.884) 3.031 3.834 ( 1.425 0.000 4.428) 4.651 3.927 ( -0.112 0.000 -1.384) 1.389 4.135 ( -1.460 0.000 -0.668) 1.605 4.159 ( 1.956 0.000 -1.220) 2.305 4.203 ( -2.184 0.000 2.738) 3.502 4.378 ( -0.347 0.000 -1.509) 1.548 6.406 ( -0.089 0.000 0.534) 0.541 6.410 ( -0.075 0.000 0.097) 0.123 6.416 ( -0.158 0.000 0.684) 0.702 6.434 ( 0.392 0.000 -0.169) 0.427 6.801 ( 0.294 0.000 0.646) 0.710 6.828 ( -1.332 0.000 -0.012) 1.332 6.900 ( -0.195 0.000 -1.573) 1.585 6.942 ( 4.474 0.000 -2.987) 5.379 7.119 ( -0.673 0.000 0.386) 0.776 7.176 ( -0.119 0.000 0.779) 0.788 7.201 ( 0.744 0.000 0.486) 0.889 7.250 ( -5.566 0.000 -1.653) 5.806 7.840 ( -0.340 0.000 -0.168) 0.379 7.879 ( 0.852 0.000 1.924) 2.104 7.906 ( 0.050 0.000 -0.296) 0.300 7.916 ( 1.094 0.000 -0.388) 1.161 8.173 ( 0.496 0.000 -0.561) 0.748 8.177 ( -0.550 0.000 -0.813) 0.982 8.227 ( -1.092 0.000 1.373) 1.754 8.254 ( 0.829 0.000 0.746) 1.115 8.833 ( -0.356 0.000 0.623) 0.718 8.835 ( 0.559 0.000 -0.529) 0.769 8.868 ( -0.918 0.000 -0.075) 0.921 8.878 ( 0.264 0.000 -1.053) 1.086 8.887 ( 0.144 0.000 0.938) 0.949 8.924 ( -0.308 0.000 0.610) 0.684 8.948 ( 0.242 0.000 -1.194) 1.219 8.987 ( 0.345 0.000 -0.329) 0.477 9.917 ( 0.186 0.000 0.068) 0.198 9.918 ( -0.466 0.000 0.379) 0.601 9.954 ( 0.469 0.000 -0.318) 0.567 9.989 ( -1.413 0.000 -1.499) 2.060 11.419 ( 0.023 0.000 0.153) 0.155 11.419 ( 0.156 0.000 -0.383) 0.413 11.445 ( -0.647 0.000 0.767) 1.003 11.471 ( -0.018 0.000 0.754) 0.754 12.309 ( -0.129 0.000 0.138) 0.189 12.327 ( -0.286 0.000 -0.354) 0.455 12.340 ( -1.960 0.000 -0.555) 2.037 12.349 ( 0.501 0.000 -0.671) 0.837 12.380 ( 0.155 0.000 0.670) 0.688 12.418 ( -0.725 0.000 -0.241) 0.764 12.420 ( -0.441 0.000 0.862) 0.968 12.460 ( -0.209 0.000 -0.089) 0.228 12.669 ( 0.744 0.000 1.244) 1.449 12.691 ( 0.607 0.000 1.341) 1.472 12.781 ( -0.545 0.000 -1.225) 1.341 12.794 ( -0.773 0.000 -0.807) 1.117 13.112 ( -0.387 0.000 -0.033) 0.388 13.123 ( 0.389 0.000 0.173) 0.425 13.146 ( 0.127 0.000 0.044) 0.135 13.150 ( -0.022 0.000 -0.518) 0.519 13.406 ( -0.359 0.000 -0.707) 0.793 13.452 ( 0.077 0.000 -1.307) 1.310 13.470 ( 0.167 0.000 1.496) 1.505 13.513 ( 0.019 0.000 0.296) 0.297 13.663 ( 1.043 0.000 2.052) 2.302 13.719 ( 0.289 0.000 0.582) 0.650 13.772 ( -0.512 0.000 -0.736) 0.897 13.818 ( -0.603 0.000 -1.242) 1.381 ======================= Grid point 56 (20/78) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 4.568 0.000 20.990) 21.481 0.774 ( 14.668 0.000 14.844) 20.868 1.187 ( 10.747 0.000 15.920) 19.209 1.350 ( 3.318 0.000 -9.169) 9.751 1.381 ( 3.859 0.000 -6.157) 7.266 1.486 ( 14.327 0.000 4.027) 14.882 1.587 ( -1.744 0.000 -15.174) 15.274 1.718 ( 1.090 0.000 1.535) 1.883 1.889 ( 0.133 0.000 5.472) 5.474 1.892 ( -0.608 0.000 -5.346) 5.380 2.001 ( -2.171 0.000 -5.930) 6.315 2.043 ( -4.025 0.000 1.131) 4.181 2.192 ( 1.898 0.000 -7.565) 7.800 2.299 ( 6.131 0.000 -0.656) 6.166 2.304 ( 0.158 0.000 -0.309) 0.347 2.467 ( -5.849 0.000 -1.485) 6.035 2.470 ( 0.299 0.000 7.545) 7.551 2.566 ( -1.605 0.000 0.167) 1.614 2.586 ( 1.534 0.000 -0.196) 1.546 2.709 ( 2.191 0.000 7.444) 7.759 2.724 ( -4.392 0.000 -8.314) 9.403 2.836 ( -6.015 0.000 1.953) 6.324 2.878 ( -0.166 0.000 0.541) 0.566 2.941 ( 1.685 0.000 -3.719) 4.083 2.946 ( -4.417 0.000 0.579) 4.455 2.965 ( 8.789 0.000 -7.203) 11.363 3.003 ( 10.098 0.000 -0.393) 10.106 3.045 ( 0.758 0.000 -1.135) 1.364 3.091 ( -2.315 0.000 8.496) 8.806 3.396 ( 3.238 0.000 2.715) 4.226 3.426 ( -5.232 0.000 7.635) 9.256 3.486 ( -6.859 0.000 -1.958) 7.133 3.510 ( 0.975 0.000 5.954) 6.033 3.586 ( 0.796 0.000 1.002) 1.280 3.657 ( -1.878 0.000 -3.439) 3.919 3.749 ( -0.634 0.000 0.425) 0.763 3.874 ( -0.924 0.000 2.551) 2.713 3.881 ( -4.300 0.000 -0.100) 4.301 4.078 ( -3.701 0.000 -1.666) 4.059 4.179 ( 1.699 0.000 -0.681) 1.830 4.202 ( -1.641 0.000 2.943) 3.370 4.344 ( -1.586 0.000 -1.501) 2.183 6.404 ( -0.756 0.000 0.225) 0.788 6.408 ( -0.289 0.000 0.225) 0.366 6.419 ( -0.351 0.000 0.599) 0.695 6.433 ( -0.316 0.000 0.085) 0.327 6.798 ( -1.519 0.000 0.554) 1.617 6.819 ( 0.372 0.000 0.325) 0.494 6.882 ( 0.306 0.000 -1.953) 1.976 6.951 ( 1.677 0.000 -4.038) 4.372 7.113 ( -0.691 0.000 0.584) 0.905 7.176 ( -2.858 0.000 1.071) 3.052 7.182 ( -0.232 0.000 1.060) 1.085 7.215 ( 0.568 0.000 0.480) 0.744 7.838 ( -0.091 0.000 0.119) 0.150 7.894 ( -0.023 0.000 -1.702) 1.703 7.906 ( -0.295 0.000 1.597) 1.624 7.918 ( -0.798 0.000 0.292) 0.850 8.149 ( -1.836 0.000 -0.616) 1.937 8.151 ( -2.367 0.000 -0.481) 2.415 8.209 ( -2.852 0.000 1.215) 3.100 8.258 ( -1.232 0.000 0.883) 1.516 8.825 ( -0.941 0.000 0.077) 0.945 8.836 ( 0.004 0.000 -0.216) 0.216 8.859 ( -0.176 0.000 0.110) 0.207 8.873 ( 0.059 0.000 -0.638) 0.641 8.901 ( 0.459 0.000 0.708) 0.844 8.934 ( 0.709 0.000 0.616) 0.939 8.948 ( 1.215 0.000 -0.894) 1.509 8.992 ( 0.868 0.000 -0.619) 1.066 9.915 ( -0.307 0.000 0.263) 0.404 9.927 ( 0.668 0.000 0.677) 0.951 9.962 ( -0.106 0.000 -1.580) 1.584 9.965 ( 1.207 0.000 -0.330) 1.251 11.416 ( -0.378 0.000 -0.166) 0.413 11.418 ( -0.044 0.000 -0.056) 0.072 11.442 ( -0.810 0.000 1.007) 1.293 11.475 ( -0.289 0.000 0.520) 0.595 12.306 ( -0.442 0.000 0.200) 0.485 12.313 ( -0.459 0.000 0.024) 0.460 12.326 ( 0.016 0.000 -0.005) 0.016 12.354 ( 0.762 0.000 -0.488) 0.905 12.408 ( 0.133 0.000 -0.643) 0.657 12.409 ( 1.684 0.000 0.876) 1.899 12.435 ( 1.012 0.000 0.852) 1.323 12.463 ( 0.840 0.000 -0.204) 0.864 12.702 ( 1.081 0.000 2.007) 2.280 12.722 ( 1.010 0.000 1.983) 2.226 12.748 ( -1.288 0.000 -1.969) 2.352 12.765 ( -1.228 0.000 -1.500) 1.938 13.111 ( 0.250 0.000 0.084) 0.264 13.137 ( 1.025 0.000 0.071) 1.028 13.148 ( 0.374 0.000 -0.316) 0.490 13.150 ( 0.463 0.000 -0.260) 0.531 13.400 ( 0.178 0.000 0.092) 0.201 13.441 ( 0.358 0.000 -1.502) 1.544 13.489 ( 0.449 0.000 1.270) 1.347 13.518 ( 0.313 0.000 0.017) 0.314 13.706 ( 1.018 0.000 2.590) 2.783 13.731 ( 0.139 0.000 0.966) 0.976 13.745 ( -1.504 0.000 -1.049) 1.833 13.780 ( -1.743 0.000 -2.102) 2.730 ======================= Grid point 57 (21/78) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 4.859 0.000 12.721) 13.617 1.099 ( 9.578 0.000 3.921) 10.349 1.272 ( -0.584 0.000 2.310) 2.383 1.392 ( -1.888 0.000 -13.379) 13.512 1.420 ( 10.490 0.000 -1.915) 10.663 1.450 ( 11.162 0.000 -2.104) 11.358 1.725 ( 2.757 0.000 -1.569) 3.172 1.806 ( 11.739 0.000 -3.299) 12.194 1.868 ( 2.588 0.000 -1.221) 2.862 1.911 ( -2.163 0.000 1.025) 2.394 1.934 ( -4.002 0.000 1.465) 4.261 2.113 ( 11.629 0.000 9.911) 15.280 2.191 ( -7.121 0.000 -2.331) 7.493 2.264 ( 2.841 0.000 -3.379) 4.415 2.371 ( 1.759 0.000 -2.092) 2.733 2.424 ( 6.871 0.000 2.549) 7.329 2.552 ( 2.663 0.000 3.003) 4.014 2.554 ( -0.526 0.000 -9.750) 9.764 2.587 ( -3.293 0.000 2.779) 4.309 2.638 ( -8.177 0.000 -1.429) 8.301 2.652 ( -0.827 0.000 0.809) 1.157 2.815 ( -6.628 0.000 -1.350) 6.764 2.815 ( -1.140 0.000 5.249) 5.371 2.888 ( -0.565 0.000 4.434) 4.470 2.897 ( -0.147 0.000 -6.323) 6.325 3.052 ( 5.924 0.000 -1.053) 6.017 3.076 ( 7.935 0.000 -5.870) 9.870 3.089 ( -1.903 0.000 2.750) 3.345 3.252 ( 9.289 0.000 4.021) 10.123 3.308 ( -9.596 0.000 -3.042) 10.066 3.418 ( -6.250 0.000 8.674) 10.692 3.433 ( 0.249 0.000 -1.929) 1.945 3.551 ( -2.491 0.000 4.754) 5.367 3.624 ( 0.710 0.000 2.288) 2.395 3.644 ( 3.556 0.000 -0.833) 3.652 3.695 ( -4.845 0.000 -2.886) 5.640 3.810 ( -5.075 0.000 1.716) 5.357 3.860 ( -2.453 0.000 0.146) 2.457 3.998 ( -3.910 0.000 -1.258) 4.107 4.192 ( 0.934 0.000 -1.411) 1.692 4.212 ( -1.211 0.000 3.391) 3.601 4.307 ( -1.676 0.000 0.039) 1.677 6.393 ( -0.967 0.000 0.413) 1.052 6.399 ( -0.718 0.000 -0.365) 0.805 6.418 ( -0.418 0.000 0.373) 0.560 6.425 ( -0.804 0.000 0.170) 0.822 6.784 ( -0.905 0.000 0.720) 1.156 6.830 ( -0.042 0.000 0.900) 0.901 6.867 ( 0.348 0.000 -2.062) 2.091 6.926 ( -0.004 0.000 -2.501) 2.501 7.108 ( -0.604 0.000 0.501) 0.785 7.166 ( 0.115 0.000 0.433) 0.448 7.190 ( -0.518 0.000 1.452) 1.542 7.233 ( 1.196 0.000 0.243) 1.221 7.828 ( -1.719 0.000 0.003) 1.719 7.861 ( -2.788 0.000 -0.972) 2.952 7.891 ( -2.985 0.000 0.291) 3.000 7.906 ( -0.053 0.000 -0.562) 0.564 8.096 ( -3.850 0.000 -0.042) 3.850 8.118 ( -1.088 0.000 -0.242) 1.115 8.165 ( -3.661 0.000 0.719) 3.731 8.243 ( -1.743 0.000 1.053) 2.036 8.809 ( -0.959 0.000 -0.256) 0.993 8.834 ( -0.294 0.000 0.330) 0.442 8.862 ( 0.361 0.000 0.106) 0.377 8.863 ( -0.640 0.000 -0.206) 0.672 8.918 ( 1.037 0.000 0.501) 1.151 8.955 ( 1.081 0.000 0.460) 1.175 8.970 ( 2.307 0.000 -0.431) 2.347 9.001 ( 1.104 0.000 -0.885) 1.415 9.914 ( -0.081 0.000 0.167) 0.186 9.952 ( 0.561 0.000 -1.113) 1.246 9.953 ( 1.064 0.000 1.459) 1.806 9.982 ( 1.467 0.000 -0.636) 1.599 11.404 ( -0.682 0.000 -0.318) 0.752 11.417 ( -0.155 0.000 0.169) 0.229 11.440 ( -0.844 0.000 1.069) 1.362 11.472 ( -0.519 0.000 0.196) 0.555 12.300 ( -0.681 0.000 0.286) 0.738 12.314 ( 0.333 0.000 0.114) 0.352 12.331 ( 0.398 0.000 0.128) 0.419 12.361 ( 0.603 0.000 -0.246) 0.652 12.412 ( 1.150 0.000 -0.550) 1.275 12.446 ( 1.788 0.000 0.681) 1.913 12.465 ( 1.554 0.000 0.718) 1.712 12.481 ( 1.647 0.000 -0.262) 1.668 12.704 ( -1.440 0.000 -1.999) 2.464 12.728 ( -1.168 0.000 -1.580) 1.965 12.741 ( 1.071 0.000 2.059) 2.321 12.759 ( 0.961 0.000 1.920) 2.147 13.121 ( 0.671 0.000 0.275) 0.726 13.148 ( 0.599 0.000 -0.390) 0.715 13.156 ( 0.585 0.000 -0.236) 0.630 13.157 ( 0.531 0.000 0.166) 0.557 13.415 ( 1.097 0.000 0.861) 1.395 13.432 ( 0.492 0.000 -1.344) 1.431 13.513 ( 1.099 0.000 1.000) 1.486 13.520 ( 0.234 0.000 -0.564) 0.610 13.708 ( -1.681 0.000 -0.870) 1.893 13.725 ( -2.043 0.000 -2.174) 2.983 13.736 ( 0.025 0.000 0.834) 0.834 13.746 ( -0.017 0.000 2.122) 2.122 ======================= Grid point 58 (22/78) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 0.633 0.000 3.933) 3.984 1.124 ( 5.033 0.000 -13.829) 14.716 1.327 ( 0.545 0.000 7.792) 7.811 1.348 ( 3.630 0.000 5.627) 6.696 1.597 ( 11.018 0.000 -0.692) 11.040 1.619 ( 5.706 0.000 -0.736) 5.753 1.819 ( -3.325 0.000 -3.323) 4.701 1.861 ( -1.292 0.000 -4.191) 4.386 1.875 ( 10.916 0.000 5.881) 12.400 1.911 ( 4.423 0.000 0.129) 4.425 1.953 ( 2.996 0.000 5.454) 6.223 2.035 ( -3.885 0.000 0.049) 3.886 2.252 ( -0.418 0.000 -7.270) 7.282 2.359 ( -7.139 0.000 -2.890) 7.702 2.383 ( -1.902 0.000 -0.322) 1.929 2.418 ( 3.751 0.000 1.845) 4.180 2.495 ( 8.372 0.000 -8.147) 11.681 2.523 ( 0.396 0.000 4.855) 4.871 2.592 ( -1.723 0.000 3.898) 4.262 2.636 ( 0.659 0.000 4.454) 4.502 2.665 ( -5.666 0.000 -5.149) 7.656 2.733 ( 2.338 0.000 1.710) 2.896 2.791 ( -1.413 0.000 -0.853) 1.651 2.839 ( -1.369 0.000 -1.856) 2.307 2.992 ( -9.083 0.000 -1.395) 9.190 3.027 ( 5.677 0.000 5.718) 8.058 3.121 ( 1.397 0.000 3.595) 3.857 3.155 ( 10.927 0.000 -8.990) 14.150 3.219 ( 1.254 0.000 0.947) 1.572 3.376 ( -1.766 0.000 4.142) 4.503 3.384 ( -0.840 0.000 -5.257) 5.324 3.428 ( 0.834 0.000 5.340) 5.405 3.552 ( -3.163 0.000 0.424) 3.192 3.555 ( -7.852 0.000 -0.503) 7.868 3.662 ( 1.238 0.000 2.245) 2.563 3.677 ( 0.271 0.000 -2.763) 2.776 3.769 ( -0.277 0.000 1.016) 1.053 3.806 ( -3.330 0.000 -1.386) 3.607 3.944 ( -1.865 0.000 0.456) 1.920 4.175 ( -0.238 0.000 -2.394) 2.406 4.234 ( -1.090 0.000 4.155) 4.296 4.294 ( -1.001 0.000 1.045) 1.447 6.380 ( -0.906 0.000 -0.435) 1.005 6.384 ( -0.834 0.000 0.575) 1.013 6.411 ( -0.983 0.000 -0.004) 0.983 6.414 ( -0.355 0.000 0.055) 0.359 6.783 ( -0.434 0.000 0.783) 0.895 6.835 ( -0.632 0.000 1.133) 1.297 6.850 ( 0.276 0.000 -2.030) 2.049 6.906 ( -0.192 0.000 -0.985) 1.003 7.107 ( 0.056 0.000 0.288) 0.293 7.178 ( 1.092 0.000 -0.268) 1.124 7.194 ( -1.119 0.000 1.634) 1.980 7.255 ( 1.380 0.000 -0.262) 1.404 7.782 ( -3.518 0.000 -0.148) 3.521 7.789 ( -4.579 0.000 -0.840) 4.655 7.824 ( -4.708 0.000 -0.428) 4.728 7.900 ( -0.456 0.000 -0.371) 0.588 8.040 ( -2.982 0.000 0.322) 2.999 8.113 ( 0.537 0.000 -0.140) 0.555 8.116 ( -3.097 0.000 0.543) 3.145 8.228 ( -1.229 0.000 0.579) 1.359 8.791 ( -0.770 0.000 -0.346) 0.844 8.831 ( -0.474 0.000 0.177) 0.506 8.851 ( -0.736 0.000 0.097) 0.742 8.870 ( 0.465 0.000 0.047) 0.468 8.944 ( 1.468 0.000 0.579) 1.578 8.975 ( 0.812 0.000 0.314) 0.871 9.005 ( 2.372 0.000 -0.399) 2.405 9.008 ( 1.037 0.000 -0.748) 1.279 9.916 ( 0.090 0.000 0.110) 0.142 9.956 ( 0.782 0.000 -0.249) 0.821 9.986 ( 0.920 0.000 1.016) 1.371 9.997 ( 1.290 0.000 -0.322) 1.330 11.390 ( -0.723 0.000 -0.185) 0.747 11.415 ( -0.223 0.000 0.022) 0.224 11.437 ( -0.763 0.000 0.829) 1.127 11.465 ( -0.556 0.000 0.059) 0.559 12.292 ( -0.676 0.000 0.340) 0.757 12.322 ( 0.485 0.000 0.111) 0.497 12.340 ( 0.489 0.000 0.150) 0.512 12.367 ( 0.383 0.000 -0.173) 0.420 12.430 ( 1.415 0.000 -0.094) 1.418 12.479 ( 1.573 0.000 0.485) 1.646 12.495 ( 1.251 0.000 0.459) 1.332 12.508 ( 1.891 0.000 -0.269) 1.910 12.667 ( -0.989 0.000 -1.239) 1.585 12.698 ( -0.770 0.000 -1.085) 1.331 12.774 ( 0.639 0.000 1.293) 1.443 12.789 ( 0.563 0.000 1.246) 1.367 13.136 ( 0.735 0.000 0.329) 0.805 13.152 ( 0.252 0.000 -0.059) 0.259 13.161 ( -0.088 0.000 -0.038) 0.096 13.162 ( 0.293 0.000 -0.032) 0.295 13.430 ( 0.644 0.000 -0.726) 0.970 13.448 ( 1.486 0.000 1.071) 1.832 13.513 ( 0.086 0.000 -0.935) 0.939 13.543 ( 1.505 0.000 0.606) 1.622 13.670 ( -1.173 0.000 -2.027) 2.342 13.686 ( -1.334 0.000 0.262) 1.359 13.737 ( -0.444 0.000 0.225) 0.498 13.760 ( -0.713 0.000 1.288) 1.472 ======================= Grid point 59 (23/78) ======================= q-point: ( 0.40 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 8.576 0.000 -1.195) 8.659 1.144 ( -0.611 0.000 3.793) 3.842 1.414 ( -2.559 0.000 10.332) 10.644 1.539 ( 3.769 0.000 7.279) 8.197 1.594 ( -0.536 0.000 -0.432) 0.688 1.695 ( 7.037 0.000 -10.920) 12.991 1.772 ( -2.947 0.000 -1.599) 3.353 1.782 ( 1.292 0.000 4.292) 4.482 1.965 ( -3.916 0.000 3.200) 5.058 1.991 ( -0.712 0.000 -0.525) 0.885 2.097 ( 3.232 0.000 8.833) 9.406 2.124 ( 7.346 0.000 1.020) 7.416 2.205 ( 0.669 0.000 1.602) 1.736 2.226 ( 1.668 0.000 0.870) 1.881 2.349 ( -0.092 0.000 -1.251) 1.254 2.470 ( -0.405 0.000 -7.486) 7.497 2.498 ( 2.553 0.000 -1.270) 2.851 2.512 ( -5.271 0.000 1.608) 5.510 2.607 ( -9.688 0.000 -2.216) 9.938 2.614 ( 1.547 0.000 1.397) 2.084 2.651 ( 7.530 0.000 -2.779) 8.026 2.721 ( 3.157 0.000 3.675) 4.845 2.801 ( -0.243 0.000 -5.469) 5.475 2.822 ( -0.638 0.000 2.017) 2.115 2.883 ( -3.321 0.000 2.010) 3.882 3.120 ( 3.077 0.000 -0.854) 3.193 3.127 ( -8.126 0.000 2.898) 8.627 3.224 ( 9.543 0.000 -9.135) 13.210 3.241 ( -6.231 0.000 3.805) 7.301 3.330 ( 2.374 0.000 -3.716) 4.409 3.399 ( 3.927 0.000 -0.974) 4.046 3.434 ( -0.912 0.000 -5.178) 5.258 3.504 ( -4.605 0.000 1.343) 4.797 3.520 ( 3.723 0.000 4.525) 5.860 3.601 ( -2.544 0.000 -5.198) 5.787 3.674 ( -3.885 0.000 -0.644) 3.938 3.748 ( -0.246 0.000 0.011) 0.247 3.807 ( 2.000 0.000 0.845) 2.172 3.946 ( -0.284 0.000 2.173) 2.191 4.152 ( 0.622 0.000 -1.606) 1.722 4.259 ( -1.516 0.000 4.211) 4.475 4.286 ( -1.080 0.000 0.246) 1.108 6.366 ( -0.387 0.000 -0.047) 0.390 6.378 ( -0.664 0.000 0.554) 0.865 6.397 ( -0.664 0.000 -0.082) 0.669 6.408 ( -0.250 0.000 -0.257) 0.359 6.783 ( -0.343 0.000 0.511) 0.615 6.836 ( 0.623 0.000 -1.835) 1.938 6.836 ( -0.799 0.000 1.413) 1.624 6.900 ( 0.116 0.000 -0.014) 0.116 7.116 ( 0.638 0.000 0.184) 0.664 7.185 ( -1.850 0.000 1.241) 2.227 7.191 ( 0.965 0.000 -0.724) 1.206 7.268 ( 0.955 0.000 -0.973) 1.363 7.716 ( -3.196 0.000 -0.500) 3.235 7.732 ( -2.263 0.000 0.297) 2.283 7.750 ( -3.506 0.000 -0.359) 3.524 7.877 ( -1.878 0.000 -0.326) 1.906 8.013 ( -0.765 0.000 -0.083) 0.769 8.088 ( -1.520 0.000 1.498) 2.134 8.122 ( 0.728 0.000 -0.528) 0.899 8.213 ( -0.846 0.000 -0.426) 0.947 8.779 ( -0.360 0.000 -0.305) 0.472 8.821 ( -0.417 0.000 -0.656) 0.778 8.843 ( -0.453 0.000 0.255) 0.520 8.876 ( 0.208 0.000 -0.067) 0.218 8.974 ( 1.138 0.000 0.820) 1.403 8.986 ( 0.198 0.000 0.355) 0.407 9.015 ( 0.924 0.000 -0.798) 1.221 9.035 ( 1.432 0.000 -0.133) 1.438 9.919 ( 0.080 0.000 0.186) 0.202 9.969 ( 0.600 0.000 0.491) 0.775 9.989 ( 0.365 0.000 -1.429) 1.474 10.023 ( 0.675 0.000 1.380) 1.537 11.380 ( -0.410 0.000 0.120) 0.427 11.410 ( -0.177 0.000 -0.375) 0.415 11.432 ( -0.659 0.000 0.440) 0.792 11.458 ( -0.371 0.000 0.101) 0.384 12.287 ( -0.471 0.000 0.416) 0.629 12.328 ( 0.270 0.000 -0.126) 0.298 12.348 ( 0.272 0.000 0.178) 0.325 12.370 ( 0.208 0.000 -0.228) 0.308 12.451 ( 0.929 0.000 0.325) 0.984 12.504 ( 0.968 0.000 0.250) 1.000 12.512 ( 0.443 0.000 0.232) 0.500 12.532 ( 1.382 0.000 -0.172) 1.393 12.651 ( -0.097 0.000 0.081) 0.127 12.684 ( -0.057 0.000 -0.149) 0.160 12.785 ( -0.125 0.000 -0.004) 0.125 12.801 ( -0.087 0.000 0.202) 0.220 13.150 ( 0.604 0.000 0.349) 0.697 13.152 ( -0.117 0.000 -0.200) 0.232 13.159 ( -0.154 0.000 0.361) 0.392 13.162 ( -0.289 0.000 -0.005) 0.289 13.439 ( 0.786 0.000 0.273) 0.832 13.476 ( 0.651 0.000 0.670) 0.934 13.508 ( 0.410 0.000 -0.669) 0.784 13.567 ( 0.938 0.000 -0.041) 0.939 13.641 ( -0.168 0.000 -1.114) 1.127 13.679 ( -0.592 0.000 1.066) 1.219 13.730 ( -0.293 0.000 -0.155) 0.331 13.752 ( -1.094 0.000 0.201) 1.113 ======================= Grid point 60 (24/78) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -1.070 0.000 5.879) 5.975 1.332 ( 5.120 0.000 5.626) 7.607 1.446 ( -2.408 0.000 2.682) 3.604 1.451 ( -6.526 0.000 10.586) 12.435 1.682 ( 4.106 0.000 -5.916) 7.202 1.713 ( -0.717 0.000 4.345) 4.403 1.766 ( -6.023 0.000 -4.093) 7.282 1.814 ( 2.097 0.000 6.123) 6.473 1.958 ( 3.211 0.000 -4.480) 5.512 2.019 ( 7.494 0.000 7.360) 10.504 2.178 ( -5.928 0.000 9.630) 11.309 2.179 ( -6.829 0.000 -0.624) 6.857 2.206 ( 1.022 0.000 2.607) 2.800 2.313 ( -3.286 0.000 2.926) 4.400 2.336 ( 2.155 0.000 -1.479) 2.614 2.407 ( -3.717 0.000 -0.344) 3.733 2.484 ( 6.126 0.000 -0.650) 6.160 2.492 ( 2.392 0.000 -1.929) 3.073 2.568 ( 4.591 0.000 0.138) 4.594 2.693 ( 4.056 0.000 3.085) 5.095 2.707 ( 1.262 0.000 -0.459) 1.343 2.734 ( 0.708 0.000 -4.455) 4.511 2.742 ( -3.112 0.000 -1.253) 3.354 2.876 ( 0.470 0.000 0.362) 0.593 2.877 ( 4.135 0.000 2.533) 4.849 2.965 ( -7.765 0.000 -2.107) 8.045 3.114 ( -4.293 0.000 -1.196) 4.456 3.164 ( -2.335 0.000 -0.602) 2.411 3.272 ( 7.061 0.000 -8.300) 10.897 3.338 ( 2.879 0.000 -7.378) 7.920 3.346 ( -6.465 0.000 -7.351) 9.789 3.385 ( -0.549 0.000 -3.001) 3.051 3.494 ( 1.602 0.000 2.668) 3.112 3.516 ( -5.018 0.000 -2.037) 5.415 3.535 ( 1.548 0.000 -3.636) 3.952 3.688 ( 4.107 0.000 5.089) 6.539 3.755 ( -0.701 0.000 -0.630) 0.943 3.832 ( -0.166 0.000 0.835) 0.851 3.962 ( -0.940 0.000 2.517) 2.687 4.167 ( 2.556 0.000 -1.042) 2.760 4.266 ( -1.343 0.000 0.196) 1.357 4.267 ( -2.562 0.000 3.279) 4.161 6.369 ( 0.536 0.000 0.347) 0.639 6.373 ( -0.475 0.000 0.264) 0.544 6.390 ( -0.084 0.000 0.031) 0.090 6.402 ( -0.109 0.000 -0.383) 0.398 6.782 ( -0.441 0.000 0.314) 0.541 6.835 ( 1.379 0.000 -1.350) 1.930 6.840 ( -0.753 0.000 1.542) 1.715 6.908 ( 0.566 0.000 0.383) 0.683 7.129 ( 0.618 0.000 0.208) 0.652 7.164 ( -1.936 0.000 0.691) 2.056 7.192 ( 0.335 0.000 -1.037) 1.089 7.264 ( 0.191 0.000 -1.524) 1.536 7.690 ( 0.493 0.000 -0.079) 0.499 7.711 ( -0.123 0.000 -0.442) 0.459 7.733 ( 0.901 0.000 1.364) 1.635 7.848 ( -0.491 0.000 -1.004) 1.118 8.009 ( 0.385 0.000 0.071) 0.391 8.094 ( -0.493 0.000 2.300) 2.352 8.120 ( 0.219 0.000 -1.360) 1.378 8.193 ( -0.658 0.000 -0.996) 1.194 8.774 ( 0.172 0.000 -0.278) 0.327 8.807 ( -0.009 0.000 -1.177) 1.177 8.843 ( 0.020 0.000 0.425) 0.425 8.874 ( -0.144 0.000 -0.375) 0.401 8.983 ( -0.731 0.000 0.408) 0.837 8.999 ( 0.227 0.000 0.985) 1.011 9.020 ( 0.493 0.000 -0.511) 0.710 9.046 ( 0.214 0.000 -0.197) 0.291 9.921 ( -0.096 0.000 0.265) 0.281 9.974 ( -0.237 0.000 -1.558) 1.576 9.984 ( 0.218 0.000 1.145) 1.165 10.039 ( -0.200 0.000 0.677) 0.705 11.379 ( 0.071 0.000 0.276) 0.285 11.403 ( 0.057 0.000 -0.566) 0.568 11.427 ( -0.485 0.000 0.283) 0.562 11.455 ( -0.108 0.000 0.012) 0.108 12.286 ( -0.210 0.000 0.536) 0.576 12.328 ( -0.028 0.000 -0.365) 0.367 12.351 ( -0.158 0.000 0.162) 0.226 12.369 ( 0.107 0.000 -0.274) 0.294 12.464 ( 0.072 0.000 0.651) 0.655 12.508 ( -0.350 0.000 -0.402) 0.534 12.518 ( -0.226 0.000 0.502) 0.551 12.545 ( 0.234 0.000 -0.047) 0.239 12.665 ( 0.842 0.000 1.370) 1.609 12.694 ( 0.762 0.000 0.899) 1.178 12.770 ( -0.907 0.000 -1.254) 1.547 12.790 ( -0.821 0.000 -0.904) 1.221 13.149 ( 0.035 0.000 -0.086) 0.093 13.153 ( -0.586 0.000 -0.129) 0.600 13.163 ( 0.361 0.000 0.389) 0.530 13.163 ( 0.004 0.000 0.472) 0.472 13.459 ( 0.591 0.000 1.315) 1.442 13.478 ( -0.890 0.000 0.086) 0.894 13.514 ( 0.845 0.000 -0.210) 0.871 13.567 ( -0.514 0.000 -0.869) 1.009 13.641 ( 0.772 0.000 -0.004) 0.772 13.688 ( 0.082 0.000 1.466) 1.468 13.723 ( -0.110 0.000 -0.959) 0.965 13.736 ( -0.585 0.000 -0.128) 0.599 ======================= Grid point 61 (25/78) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( -5.193 0.000 6.207) 8.093 1.277 ( -5.634 0.000 0.773) 5.687 1.426 ( -9.589 0.000 10.607) 14.299 1.604 ( -5.394 0.000 -3.782) 6.588 1.676 ( -2.283 0.000 5.066) 5.557 1.691 ( 5.456 0.000 8.956) 10.487 1.741 ( 6.823 0.000 -1.481) 6.982 1.870 ( -0.916 0.000 3.739) 3.850 1.974 ( -1.523 0.000 -3.040) 3.400 2.030 ( -1.358 0.000 -2.475) 2.823 2.120 ( -8.397 0.000 3.699) 9.176 2.207 ( -3.320 0.000 9.675) 10.229 2.216 ( -3.654 0.000 2.969) 4.708 2.307 ( 7.434 0.000 2.930) 7.991 2.342 ( -2.923 0.000 -2.544) 3.875 2.421 ( -7.220 0.000 -9.115) 11.628 2.431 ( 6.712 0.000 2.472) 7.153 2.576 ( -1.355 0.000 -3.105) 3.388 2.588 ( -4.028 0.000 -3.941) 5.635 2.603 ( 0.047 0.000 1.183) 1.184 2.708 ( -0.456 0.000 -1.392) 1.465 2.813 ( 10.963 0.000 3.676) 11.563 2.836 ( -5.726 0.000 -2.432) 6.221 2.871 ( 4.578 0.000 6.987) 8.353 2.897 ( 1.386 0.000 3.257) 3.540 2.982 ( 5.046 0.000 -1.779) 5.350 3.039 ( -1.135 0.000 -2.059) 2.351 3.051 ( -8.763 0.000 -2.852) 9.216 3.191 ( -0.167 0.000 -5.571) 5.573 3.228 ( 0.615 0.000 -8.018) 8.042 3.275 ( 3.055 0.000 -11.855) 12.243 3.417 ( 4.082 0.000 1.752) 4.442 3.449 ( -2.854 0.000 1.025) 3.032 3.526 ( 4.823 0.000 -5.795) 7.540 3.601 ( 3.449 0.000 4.592) 5.743 3.692 ( -4.239 0.000 -1.452) 4.481 3.791 ( 2.707 0.000 2.123) 3.440 3.810 ( -3.530 0.000 0.207) 3.536 3.979 ( 0.016 0.000 2.993) 2.993 4.183 ( 2.031 0.000 -3.896) 4.394 4.248 ( -3.199 0.000 2.119) 3.838 4.269 ( -0.001 0.000 3.111) 3.111 6.370 ( 0.007 0.000 0.001) 0.007 6.386 ( 1.088 0.000 -0.096) 1.092 6.395 ( 0.328 0.000 0.621) 0.702 6.397 ( 0.084 0.000 -0.330) 0.341 6.775 ( -0.530 0.000 0.066) 0.534 6.844 ( -0.684 0.000 1.441) 1.595 6.851 ( 2.016 0.000 -1.035) 2.266 6.925 ( 1.077 0.000 0.382) 1.143 7.138 ( -0.627 0.000 1.134) 1.296 7.147 ( -0.307 0.000 -0.006) 0.307 7.180 ( -0.273 0.000 -1.098) 1.132 7.244 ( -0.575 0.000 -1.435) 1.546 7.728 ( 4.059 0.000 -0.037) 4.060 7.731 ( 3.006 0.000 -0.429) 3.036 7.788 ( 3.325 0.000 1.814) 3.787 7.845 ( 1.864 0.000 -1.686) 2.513 8.030 ( 1.532 0.000 0.990) 1.824 8.104 ( 0.265 0.000 -1.995) 2.012 8.112 ( -0.347 0.000 2.044) 2.074 8.172 ( -0.458 0.000 -1.064) 1.158 8.778 ( 0.654 0.000 -0.253) 0.702 8.800 ( 0.622 0.000 -1.091) 1.256 8.853 ( 0.544 0.000 0.648) 0.846 8.865 ( -0.244 0.000 -0.499) 0.555 8.968 ( -1.616 0.000 0.452) 1.678 9.003 ( -0.975 0.000 0.804) 1.264 9.018 ( -0.225 0.000 -0.344) 0.411 9.038 ( -0.799 0.000 -0.339) 0.868 9.921 ( -0.277 0.000 0.369) 0.461 9.953 ( -0.546 0.000 -1.156) 1.279 9.999 ( -0.151 0.000 1.646) 1.653 10.031 ( -1.011 0.000 -0.152) 1.022 11.386 ( 0.410 0.000 0.048) 0.413 11.401 ( 0.383 0.000 -0.423) 0.570 11.425 ( -0.193 0.000 0.612) 0.642 11.454 ( 0.094 0.000 -0.232) 0.250 12.291 ( -0.015 0.000 0.621) 0.621 12.322 ( -0.104 0.000 -0.369) 0.384 12.346 ( -0.575 0.000 0.155) 0.596 12.368 ( 0.041 0.000 -0.258) 0.261 12.466 ( -0.781 0.000 0.883) 1.179 12.490 ( -1.273 0.000 -0.511) 1.372 12.511 ( -1.306 0.000 0.349) 1.352 12.538 ( -0.975 0.000 0.025) 0.975 12.702 ( 1.388 0.000 2.023) 2.453 12.724 ( 1.180 0.000 1.588) 1.979 12.734 ( -1.304 0.000 -1.935) 2.334 12.758 ( -1.282 0.000 -1.651) 2.090 13.142 ( -0.632 0.000 -0.003) 0.632 13.153 ( 0.329 0.000 0.141) 0.358 13.167 ( -0.077 0.000 0.248) 0.259 13.170 ( 0.093 0.000 0.295) 0.309 13.455 ( -1.810 0.000 -0.043) 1.810 13.481 ( -0.039 0.000 1.829) 1.830 13.525 ( 0.574 0.000 -0.151) 0.593 13.536 ( -1.610 0.000 -1.491) 2.195 13.665 ( 1.572 0.000 0.925) 1.824 13.705 ( -0.242 0.000 -1.822) 1.838 13.713 ( 1.039 0.000 1.517) 1.839 13.731 ( -0.166 0.000 -0.228) 0.282 ======================= Grid point 62 (26/78) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -17.158 0.000 1.550) 17.227 1.167 ( -12.144 0.000 -0.324) 12.148 1.428 ( -5.612 0.000 10.434) 11.848 1.527 ( -1.341 0.000 -0.569) 1.456 1.547 ( -5.589 0.000 -0.418) 5.605 1.852 ( -2.339 0.000 -0.693) 2.440 1.859 ( 4.146 0.000 4.599) 6.192 1.889 ( -3.186 0.000 2.133) 3.834 1.951 ( -21.195 0.000 -5.131) 21.807 1.953 ( 3.533 0.000 10.801) 11.364 2.054 ( -11.599 0.000 -7.897) 14.032 2.108 ( 7.054 0.000 -1.286) 7.170 2.187 ( -5.730 0.000 0.273) 5.736 2.209 ( 0.758 0.000 5.025) 5.082 2.319 ( 1.140 0.000 1.804) 2.134 2.384 ( -6.173 0.000 -3.010) 6.868 2.455 ( 0.886 0.000 -5.369) 5.441 2.499 ( 1.179 0.000 -4.146) 4.310 2.626 ( 8.789 0.000 0.066) 8.789 2.665 ( 0.584 0.000 -0.088) 0.590 2.685 ( 4.054 0.000 -2.075) 4.554 2.718 ( -3.684 0.000 0.230) 3.691 2.880 ( -9.645 0.000 5.244) 10.978 2.919 ( 0.028 0.000 2.385) 2.385 2.961 ( 0.383 0.000 -2.659) 2.687 2.967 ( -0.384 0.000 -1.030) 1.099 3.055 ( 4.037 0.000 3.906) 5.617 3.070 ( 4.296 0.000 -2.732) 5.091 3.176 ( 0.561 0.000 -5.089) 5.119 3.227 ( 6.748 0.000 3.257) 7.493 3.234 ( 6.326 0.000 -8.838) 10.869 3.409 ( -4.211 0.000 2.321) 4.809 3.492 ( 0.544 0.000 3.055) 3.103 3.531 ( 3.756 0.000 -6.463) 7.475 3.649 ( 1.493 0.000 0.245) 1.513 3.711 ( 5.217 0.000 2.929) 5.983 3.739 ( -3.341 0.000 -0.324) 3.357 3.826 ( 0.267 0.000 0.571) 0.630 4.031 ( 2.094 0.000 3.167) 3.797 4.163 ( 1.156 0.000 -4.094) 4.254 4.217 ( -2.839 0.000 1.686) 3.302 4.315 ( 1.253 0.000 2.939) 3.195 6.375 ( 0.631 0.000 -0.029) 0.632 6.396 ( 0.585 0.000 -0.376) 0.695 6.398 ( 0.302 0.000 -0.101) 0.319 6.410 ( 0.501 0.000 0.415) 0.650 6.770 ( -0.055 0.000 0.048) 0.073 6.848 ( -0.661 0.000 1.342) 1.496 6.871 ( 2.048 0.000 -1.697) 2.659 6.947 ( 1.294 0.000 -0.268) 1.322 7.136 ( -1.151 0.000 1.639) 2.003 7.150 ( 0.488 0.000 -0.111) 0.500 7.164 ( -0.285 0.000 -0.866) 0.912 7.224 ( -0.866 0.000 0.195) 0.888 7.783 ( 3.656 0.000 -0.719) 3.726 7.805 ( 5.236 0.000 -0.278) 5.244 7.854 ( 2.139 0.000 1.138) 2.423 7.866 ( 2.743 0.000 -1.724) 3.240 8.078 ( 2.714 0.000 1.411) 3.059 8.102 ( 1.919 0.000 -0.980) 2.155 8.125 ( -0.066 0.000 1.346) 1.348 8.161 ( 0.759 0.000 -1.163) 1.388 8.789 ( 0.962 0.000 -0.047) 0.963 8.804 ( 1.171 0.000 -0.792) 1.413 8.859 ( -0.038 0.000 -0.193) 0.196 8.872 ( 0.794 0.000 0.607) 0.999 8.943 ( -2.081 0.000 0.472) 2.133 8.986 ( -1.913 0.000 0.488) 1.974 9.005 ( -1.128 0.000 -0.079) 1.131 9.017 ( -0.944 0.000 -0.795) 1.234 9.921 ( -0.359 0.000 0.530) 0.640 9.934 ( -0.538 0.000 -0.607) 0.811 10.007 ( -1.377 0.000 -0.643) 1.519 10.012 ( -0.450 0.000 1.684) 1.743 11.393 ( 0.581 0.000 -0.070) 0.585 11.407 ( 0.633 0.000 -0.195) 0.662 11.432 ( -0.019 0.000 0.885) 0.885 11.453 ( 0.191 0.000 -0.329) 0.381 12.298 ( 0.068 0.000 0.576) 0.580 12.319 ( 0.100 0.000 -0.226) 0.247 12.338 ( -0.736 0.000 0.438) 0.856 12.365 ( -0.061 0.000 -0.342) 0.348 12.459 ( -1.869 0.000 -0.496) 1.934 12.459 ( -1.296 0.000 1.012) 1.644 12.485 ( -2.127 0.000 0.199) 2.136 12.517 ( -1.639 0.000 0.072) 1.641 12.693 ( -1.144 0.000 -1.829) 2.157 12.719 ( -1.227 0.000 -1.692) 2.090 12.746 ( 1.349 0.000 1.825) 2.270 12.761 ( 1.116 0.000 1.711) 2.043 13.133 ( -0.621 0.000 0.305) 0.692 13.158 ( -0.124 0.000 -0.053) 0.135 13.165 ( -0.260 0.000 0.132) 0.292 13.171 ( -0.263 0.000 0.154) 0.305 13.429 ( -1.437 0.000 0.527) 1.530 13.492 ( -1.599 0.000 -1.654) 2.300 13.492 ( -0.718 0.000 1.249) 1.441 13.526 ( -0.239 0.000 -0.146) 0.280 13.679 ( -0.460 0.000 -2.043) 2.094 13.707 ( 2.036 0.000 1.304) 2.417 13.723 ( -0.261 0.000 -0.494) 0.558 13.752 ( 1.943 0.000 1.259) 2.315 ======================= Grid point 63 (27/78) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( -21.891 0.000 -4.578) 22.365 0.860 ( -23.303 0.000 -0.280) 23.305 1.292 ( -33.678 0.000 5.492) 34.123 1.512 ( -8.149 0.000 -1.382) 8.265 1.533 ( 0.972 0.000 1.065) 1.442 1.550 ( 1.337 0.000 1.539) 2.039 1.732 ( -6.496 0.000 -5.606) 8.581 1.829 ( -8.529 0.000 -5.913) 10.378 1.916 ( -0.196 0.000 4.978) 4.981 1.981 ( 3.714 0.000 2.116) 4.274 2.063 ( -0.989 0.000 1.590) 1.873 2.139 ( -2.131 0.000 1.749) 2.757 2.147 ( 2.829 0.000 2.638) 3.868 2.303 ( -2.348 0.000 -5.900) 6.350 2.315 ( 3.563 0.000 -4.652) 5.859 2.367 ( 5.407 0.000 6.419) 8.393 2.369 ( -0.366 0.000 -6.610) 6.620 2.484 ( -1.523 0.000 3.416) 3.740 2.621 ( -0.245 0.000 -4.159) 4.166 2.678 ( 2.595 0.000 -1.476) 2.985 2.741 ( 4.398 0.000 1.616) 4.685 2.769 ( -7.592 0.000 1.675) 7.774 2.826 ( 6.793 0.000 0.382) 6.804 2.907 ( 1.132 0.000 -4.242) 4.391 2.938 ( -3.162 0.000 2.974) 4.341 2.973 ( -3.267 0.000 3.394) 4.711 3.097 ( -0.062 0.000 -2.442) 2.442 3.098 ( 2.179 0.000 -1.382) 2.580 3.153 ( 1.192 0.000 -1.307) 1.769 3.228 ( -7.427 0.000 4.473) 8.670 3.260 ( 5.613 0.000 -5.178) 7.637 3.441 ( -6.345 0.000 -1.948) 6.637 3.532 ( 10.074 0.000 5.615) 11.533 3.535 ( 1.857 0.000 -0.279) 1.877 3.703 ( 2.723 0.000 -0.675) 2.806 3.743 ( 2.482 0.000 1.422) 2.860 3.828 ( 6.166 0.000 0.673) 6.202 3.842 ( 1.011 0.000 3.184) 3.341 4.095 ( 2.355 0.000 1.737) 2.926 4.144 ( 1.598 0.000 -3.467) 3.817 4.201 ( -1.887 0.000 2.739) 3.326 4.362 ( 1.448 0.000 1.530) 2.107 6.388 ( 0.915 0.000 0.071) 0.917 6.399 ( 0.194 0.000 -0.192) 0.273 6.404 ( 0.350 0.000 0.187) 0.397 6.414 ( -0.085 0.000 -0.201) 0.218 6.776 ( 0.500 0.000 0.171) 0.528 6.850 ( -0.771 0.000 1.176) 1.406 6.876 ( 1.682 0.000 -2.972) 3.415 6.954 ( 0.496 0.000 -1.314) 1.404 7.133 ( -0.924 0.000 0.963) 1.335 7.157 ( 0.633 0.000 -0.744) 0.977 7.159 ( 0.267 0.000 0.549) 0.611 7.229 ( -0.574 0.000 3.278) 3.328 7.822 ( 2.136 0.000 -0.543) 2.204 7.870 ( -0.501 0.000 0.002) 0.501 7.870 ( 3.067 0.000 -0.619) 3.129 7.892 ( 2.509 0.000 -1.277) 2.815 8.129 ( 2.323 0.000 -0.620) 2.404 8.145 ( 2.754 0.000 1.016) 2.935 8.152 ( 1.541 0.000 2.594) 3.018 8.175 ( 2.805 0.000 -1.644) 3.251 8.807 ( 0.960 0.000 0.326) 1.014 8.817 ( 1.321 0.000 -0.704) 1.497 8.861 ( 0.252 0.000 0.325) 0.411 8.886 ( 0.476 0.000 0.037) 0.477 8.914 ( -2.009 0.000 0.478) 2.065 8.957 ( -2.079 0.000 0.356) 2.109 8.982 ( -1.193 0.000 -0.515) 1.300 8.997 ( -0.542 0.000 -0.524) 0.754 9.921 ( -0.401 0.000 0.620) 0.738 9.923 ( -0.351 0.000 -0.256) 0.435 9.978 ( -1.165 0.000 -0.712) 1.366 10.019 ( -0.560 0.000 1.226) 1.348 11.403 ( 0.598 0.000 0.112) 0.609 11.415 ( 0.652 0.000 -0.288) 0.712 11.441 ( -0.116 0.000 0.840) 0.847 11.454 ( 0.223 0.000 0.075) 0.235 12.304 ( 0.074 0.000 0.403) 0.409 12.321 ( 0.375 0.000 -0.124) 0.395 12.336 ( -0.490 0.000 1.063) 1.170 12.358 ( -0.092 0.000 -0.546) 0.554 12.425 ( -1.721 0.000 -0.088) 1.723 12.447 ( -1.404 0.000 0.872) 1.653 12.452 ( -2.193 0.000 0.332) 2.218 12.491 ( -1.593 0.000 0.117) 1.597 12.664 ( -0.581 0.000 -1.064) 1.212 12.689 ( -0.756 0.000 -0.964) 1.225 12.779 ( 0.786 0.000 0.997) 1.269 12.791 ( 0.652 0.000 1.136) 1.310 13.127 ( -0.668 0.000 0.493) 0.831 13.143 ( -1.023 0.000 -0.442) 1.115 13.164 ( -0.240 0.000 0.110) 0.265 13.165 ( -0.525 0.000 -0.050) 0.528 13.424 ( -0.389 0.000 1.179) 1.241 13.455 ( -0.886 0.000 -1.239) 1.523 13.484 ( -0.920 0.000 -0.148) 0.932 13.519 ( -0.647 0.000 0.302) 0.714 13.651 ( -0.522 0.000 -1.437) 1.529 13.714 ( -0.151 0.000 -0.419) 0.445 13.750 ( 1.722 0.000 0.824) 1.909 13.795 ( 1.948 0.000 0.746) 2.086 ======================= Grid point 64 (28/78) ======================= q-point: (-0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.307 ( -20.510 0.000 -0.617) 20.520 0.500 ( -24.210 0.000 8.885) 25.789 0.788 ( -35.836 0.000 16.348) 39.389 1.408 ( -5.716 0.000 -0.100) 5.717 1.559 ( -2.582 0.000 -1.494) 2.983 1.581 ( -0.279 0.000 -4.071) 4.081 1.617 ( -2.378 0.000 -0.637) 2.462 1.687 ( 2.507 0.000 2.311) 3.409 1.862 ( -3.750 0.000 -4.499) 5.857 2.068 ( -0.701 0.000 -4.467) 4.522 2.072 ( 2.555 0.000 2.638) 3.672 2.132 ( -0.729 0.000 -0.906) 1.163 2.178 ( 0.608 0.000 -3.746) 3.795 2.247 ( 3.198 0.000 9.482) 10.007 2.310 ( 4.018 0.000 -10.760) 11.486 2.338 ( -0.955 0.000 1.480) 1.762 2.485 ( -4.252 0.000 4.411) 6.127 2.486 ( 2.793 0.000 6.830) 7.379 2.649 ( 1.580 0.000 1.006) 1.873 2.666 ( -4.468 0.000 -2.783) 5.264 2.737 ( 2.715 0.000 -0.051) 2.716 2.756 ( -1.869 0.000 -4.536) 4.906 2.853 ( -0.283 0.000 0.307) 0.417 2.893 ( 4.033 0.000 -2.207) 4.597 2.941 ( -2.008 0.000 0.886) 2.195 2.951 ( -0.864 0.000 5.851) 5.914 3.031 ( 1.983 0.000 -10.972) 11.150 3.112 ( 0.107 0.000 1.513) 1.516 3.151 ( -3.252 0.000 1.079) 3.426 3.228 ( -1.723 0.000 8.435) 8.610 3.276 ( -1.545 0.000 -1.348) 2.050 3.359 ( 1.464 0.000 0.485) 1.542 3.588 ( 1.887 0.000 4.430) 4.815 3.687 ( 0.456 0.000 -3.816) 3.843 3.725 ( 5.383 0.000 4.811) 7.220 3.787 ( 1.519 0.000 -0.612) 1.638 3.889 ( -1.724 0.000 -4.451) 4.774 3.909 ( 3.923 0.000 -1.017) 4.053 4.136 ( 1.089 0.000 0.620) 1.254 4.144 ( 2.202 0.000 -2.295) 3.181 4.206 ( -1.785 0.000 3.057) 3.540 4.386 ( 0.705 0.000 -0.589) 0.918 6.401 ( 0.086 0.000 0.355) 0.365 6.403 ( 0.655 0.000 0.186) 0.681 6.411 ( 0.110 0.000 0.406) 0.421 6.415 ( 0.467 0.000 0.880) 0.996 6.788 ( 0.621 0.000 0.325) 0.701 6.845 ( -1.125 0.000 0.665) 1.307 6.877 ( 2.280 0.000 -0.774) 2.408 6.935 ( -0.862 0.000 -1.354) 1.605 7.127 ( -0.780 0.000 0.422) 0.887 7.168 ( 0.038 0.000 0.755) 0.756 7.175 ( 1.868 0.000 0.121) 1.872 7.278 ( 2.385 0.000 2.629) 3.550 7.847 ( 1.029 0.000 0.630) 1.207 7.854 ( -0.803 0.000 -0.141) 0.815 7.896 ( 0.844 0.000 0.233) 0.876 7.906 ( 0.843 0.000 -1.227) 1.489 8.154 ( 2.055 0.000 -0.720) 2.178 8.180 ( 0.978 0.000 -0.241) 1.007 8.206 ( 1.286 0.000 2.400) 2.723 8.218 ( 3.053 0.000 0.002) 3.053 8.824 ( 0.520 0.000 0.641) 0.825 8.829 ( 1.035 0.000 -0.702) 1.251 8.872 ( 0.326 0.000 0.546) 0.636 8.886 ( 0.030 0.000 -0.719) 0.720 8.890 ( -1.553 0.000 0.417) 1.608 8.932 ( -1.424 0.000 0.477) 1.502 8.961 ( -0.331 0.000 -1.089) 1.138 8.989 ( -0.175 0.000 -0.163) 0.239 9.917 ( -0.118 0.000 -0.138) 0.182 9.920 ( -0.447 0.000 0.558) 0.715 9.958 ( -0.466 0.000 -0.525) 0.701 10.020 ( -0.313 0.000 -0.182) 0.362 11.413 ( 0.367 0.000 0.250) 0.444 11.420 ( 0.433 0.000 -0.515) 0.673 11.445 ( -0.366 0.000 0.739) 0.825 11.462 ( 0.173 0.000 0.640) 0.663 12.308 ( 0.034 0.000 0.209) 0.212 12.328 ( 0.463 0.000 -0.020) 0.463 12.344 ( 0.223 0.000 0.713) 0.747 12.352 ( 0.112 0.000 -0.678) 0.687 12.407 ( -0.689 0.000 -0.533) 0.871 12.431 ( -1.133 0.000 0.939) 1.471 12.433 ( -1.192 0.000 0.373) 1.249 12.471 ( -1.076 0.000 0.066) 1.079 12.655 ( 0.135 0.000 0.079) 0.156 12.678 ( -0.082 0.000 0.214) 0.229 12.790 ( -0.010 0.000 0.045) 0.046 12.803 ( -0.018 0.000 0.214) 0.214 13.121 ( -0.702 0.000 0.271) 0.752 13.125 ( -0.630 0.000 -0.196) 0.660 13.153 ( -0.736 0.000 -0.387) 0.832 13.158 ( -0.348 0.000 -0.266) 0.438 13.422 ( -0.475 0.000 -0.816) 0.944 13.451 ( 0.178 0.000 1.380) 1.392 13.466 ( -0.488 0.000 -0.848) 0.978 13.513 ( -0.477 0.000 0.350) 0.592 13.640 ( 0.149 0.000 0.240) 0.283 13.712 ( 0.133 0.000 0.028) 0.136 13.774 ( 0.743 0.000 -0.037) 0.744 13.822 ( 0.902 0.000 -0.146) 0.914 ======================= Grid point 65 (29/78) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( 1.103 12.137 13.903) 18.489 0.680 ( -3.114 16.198 13.058) 21.038 1.007 ( -3.226 10.681 13.790) 17.739 1.198 ( 7.604 -0.273 7.072) 10.388 1.373 ( -2.599 -8.763 -4.399) 10.144 1.576 ( 0.748 0.038 0.374) 0.837 1.624 ( 0.921 5.079 -5.931) 7.863 1.801 ( 1.092 0.392 -3.112) 3.321 1.862 ( 2.521 3.075 1.328) 4.192 1.870 ( -3.735 -2.699 -8.057) 9.282 1.977 ( -2.314 -6.041 -1.930) 6.751 2.157 ( 1.406 -6.418 -0.153) 6.572 2.173 ( -1.077 -2.271 -0.136) 2.517 2.246 ( 1.913 -5.874 -3.347) 7.026 2.296 ( 5.741 0.918 1.085) 5.914 2.403 ( -3.706 0.755 2.420) 4.490 2.486 ( 0.072 -0.001 3.361) 3.362 2.530 ( 0.699 -0.474 -0.427) 0.947 2.588 ( -1.851 2.902 0.281) 3.454 2.688 ( -1.809 0.317 3.300) 3.776 2.723 ( -1.488 1.822 -0.606) 2.430 2.802 ( 3.572 1.355 -0.787) 3.901 2.887 ( 3.538 -1.184 1.206) 3.921 2.930 ( 0.924 -3.025 -1.899) 3.689 2.941 ( 1.223 2.463 0.759) 2.853 2.985 ( 0.493 1.082 -4.663) 4.812 3.034 ( -2.049 0.595 -2.823) 3.539 3.068 ( -0.464 -0.230 -2.270) 2.328 3.165 ( -1.713 6.038 3.489) 7.180 3.214 ( 0.613 -1.130 3.541) 3.767 3.380 ( 0.114 -2.358 6.278) 6.707 3.421 ( -0.879 -3.432 3.047) 4.673 3.509 ( -1.645 -5.493 0.672) 5.773 3.592 ( -1.128 0.157 2.311) 2.576 3.655 ( 0.546 -1.114 2.808) 3.070 3.728 ( 1.497 -1.487 0.180) 2.118 3.964 ( -1.432 7.499 0.466) 7.649 4.070 ( -0.152 5.044 -7.043) 8.664 4.119 ( 0.052 -0.711 -1.335) 1.514 4.173 ( -1.306 -0.267 -2.027) 2.426 4.236 ( -1.259 3.844 0.019) 4.045 4.360 ( -0.698 -1.612 -1.384) 2.236 6.403 ( -0.046 -0.118 0.532) 0.547 6.408 ( -0.051 -0.176 0.176) 0.254 6.417 ( -0.133 0.084 0.584) 0.605 6.426 ( 0.264 -0.442 0.416) 0.662 6.809 ( 0.325 0.739 0.346) 0.879 6.834 ( -1.320 0.210 -0.005) 1.336 6.901 ( 0.237 0.049 -1.585) 1.603 6.924 ( 2.918 -1.339 -1.689) 3.628 7.115 ( -0.241 0.006 0.447) 0.507 7.154 ( 0.589 -1.334 -0.297) 1.488 7.207 ( -0.360 0.262 1.104) 1.190 7.222 ( -3.037 -1.200 1.260) 3.500 7.848 ( -0.411 0.607 -0.186) 0.756 7.880 ( 0.338 -0.472 0.752) 0.950 7.905 ( 0.281 0.156 -0.414) 0.524 7.914 ( 0.532 -0.118 0.327) 0.636 8.172 ( 0.116 0.020 -0.539) 0.552 8.176 ( -0.683 -0.104 -0.794) 1.053 8.232 ( -0.465 0.508 1.527) 1.675 8.253 ( 0.712 -0.220 0.719) 1.036 8.834 ( -0.261 0.045 0.426) 0.502 8.835 ( 0.433 0.008 -0.402) 0.591 8.874 ( -0.577 0.575 -0.175) 0.834 8.883 ( 0.131 0.348 -0.830) 0.910 8.889 ( 0.071 0.230 0.771) 0.808 8.916 ( -0.356 -0.733 0.554) 0.985 8.950 ( 0.231 0.198 -0.979) 1.026 8.979 ( 0.313 -0.824 -0.391) 0.964 9.917 ( 0.067 -0.016 0.173) 0.186 9.917 ( -0.181 -0.040 0.311) 0.362 9.959 ( 0.226 0.434 -0.498) 0.698 9.981 ( -0.806 -0.588 -1.133) 1.510 11.419 ( 0.011 0.091 0.059) 0.109 11.423 ( -0.011 0.072 -0.535) 0.540 11.451 ( -0.435 0.555 0.641) 0.953 11.470 ( -0.069 -0.201 0.661) 0.694 12.311 ( -0.327 0.191 0.107) 0.394 12.327 ( -0.771 -0.624 0.165) 1.005 12.333 ( -0.395 0.361 -0.412) 0.676 12.347 ( 0.449 -0.207 -0.578) 0.761 12.384 ( 0.408 0.430 0.587) 0.834 12.408 ( -0.005 -0.592 0.269) 0.650 12.430 ( -0.695 0.617 0.288) 0.973 12.456 ( -0.308 -0.444 -0.104) 0.550 12.677 ( 0.683 0.483 0.927) 1.249 12.689 ( 0.607 -0.152 1.255) 1.402 12.781 ( -0.665 0.128 -1.016) 1.221 12.792 ( -0.770 -0.221 -0.820) 1.146 13.115 ( -0.302 0.319 -0.018) 0.439 13.136 ( 0.450 0.455 -0.607) 0.882 13.138 ( -0.293 -0.313 0.001) 0.428 13.151 ( 0.100 -0.080 -0.421) 0.440 13.410 ( -0.295 0.441 -0.657) 0.845 13.439 ( 0.006 -0.895 -0.604) 1.080 13.482 ( 0.158 0.810 0.750) 1.115 13.508 ( 0.038 -0.414 0.359) 0.550 13.669 ( 0.918 0.610 1.816) 2.124 13.707 ( 0.374 -1.017 0.811) 1.353 13.782 ( -0.512 0.875 -0.847) 1.321 13.813 ( -0.588 -0.465 -1.193) 1.409 ======================= Grid point 66 (30/78) ======================= q-point: ( 0.10 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 10.566 4.662 16.434) 20.086 0.864 ( 7.364 10.191 15.819) 20.207 1.116 ( 2.835 -7.899 6.782) 10.790 1.321 ( 4.285 -5.079 -1.403) 6.792 1.478 ( 2.551 7.179 -6.442) 9.978 1.570 ( 10.360 8.669 1.719) 13.618 1.641 ( -1.521 -1.223 -1.951) 2.760 1.679 ( 4.196 5.448 -10.991) 12.965 1.820 ( 3.526 -5.039 -1.893) 6.435 1.904 ( -0.077 -7.841 -2.615) 8.266 1.964 ( 1.864 5.879 2.964) 6.843 2.085 ( -0.726 1.595 -3.582) 3.988 2.208 ( 1.071 -0.382 -1.779) 2.112 2.244 ( 1.447 -2.558 -3.759) 4.771 2.323 ( 0.198 -3.050 -0.025) 3.056 2.422 ( 2.186 2.792 2.585) 4.388 2.495 ( -0.466 -1.045 0.746) 1.365 2.566 ( 0.585 -3.060 0.814) 3.220 2.615 ( -2.323 0.321 2.831) 3.676 2.661 ( -2.776 3.260 -0.190) 4.285 2.689 ( 0.961 -2.842 3.309) 4.466 2.849 ( -2.541 -2.181 -0.922) 3.474 2.887 ( 0.680 1.986 -1.027) 2.337 2.911 ( -1.899 -0.690 -0.196) 2.030 2.933 ( -1.684 0.153 -0.332) 1.723 2.994 ( -0.285 -0.398 -3.082) 3.121 3.031 ( 6.034 0.866 -1.645) 6.313 3.049 ( 4.557 -0.151 1.060) 4.681 3.165 ( -1.759 6.365 2.004) 6.901 3.294 ( 2.562 -5.905 4.593) 7.907 3.402 ( -3.745 -3.927 4.695) 7.176 3.418 ( -3.016 -3.911 2.799) 5.677 3.481 ( -2.161 0.574 2.425) 3.298 3.642 ( 2.285 -0.324 1.638) 2.830 3.665 ( -2.076 0.751 -0.323) 2.232 3.742 ( 0.622 0.208 -1.536) 1.670 3.922 ( -4.427 3.980 1.799) 6.219 3.953 ( -6.325 4.637 -3.369) 8.535 4.079 ( -2.300 0.692 -1.962) 3.101 4.160 ( 0.847 -1.475 -1.013) 1.980 4.227 ( -1.257 1.911 2.122) 3.120 4.323 ( -1.999 -1.978 -0.900) 2.953 6.405 ( -0.603 0.046 0.293) 0.672 6.407 ( -0.260 -0.066 0.382) 0.467 6.419 ( -0.384 -0.011 0.418) 0.568 6.429 ( -0.303 -0.350 0.157) 0.489 6.806 ( -1.450 0.646 0.382) 1.632 6.820 ( -0.046 0.020 0.282) 0.287 6.888 ( 0.534 0.559 -1.849) 2.004 6.935 ( 1.431 -1.383 -2.903) 3.520 7.118 ( -0.079 0.506 0.370) 0.632 7.156 ( -0.213 -1.079 0.046) 1.101 7.195 ( -1.556 0.508 1.534) 2.243 7.213 ( -0.040 -0.250 0.850) 0.887 7.845 ( -0.135 0.714 0.201) 0.753 7.888 ( 0.197 -0.923 -0.020) 0.944 7.900 ( -0.852 0.063 -0.019) 0.854 7.918 ( -0.592 -0.249 0.187) 0.669 8.146 ( -2.079 -0.177 -0.579) 2.166 8.148 ( -2.320 -0.225 -0.444) 2.373 8.222 ( -2.413 1.073 1.131) 2.873 8.255 ( -1.400 -0.366 0.896) 1.702 8.827 ( -0.701 0.210 0.021) 0.732 8.837 ( 0.096 -0.033 -0.089) 0.135 8.864 ( -0.435 0.544 -0.061) 0.699 8.876 ( -0.149 0.180 -0.605) 0.648 8.901 ( 0.512 0.128 0.636) 0.826 8.925 ( 0.705 -0.785 0.589) 1.208 8.952 ( 1.273 0.437 -0.768) 1.550 8.984 ( 0.968 -0.797 -0.602) 1.391 9.917 ( -0.177 0.205 0.283) 0.392 9.926 ( 0.515 -0.136 0.585) 0.791 9.962 ( 0.144 -0.008 -1.373) 1.381 9.964 ( 1.039 -0.076 -0.514) 1.162 11.416 ( -0.366 0.030 -0.157) 0.400 11.418 ( -0.252 -0.019 -0.036) 0.255 11.450 ( -0.634 0.645 0.810) 1.215 11.473 ( -0.342 -0.303 0.521) 0.693 12.307 ( -0.332 0.133 0.175) 0.398 12.316 ( -0.390 -0.022 0.092) 0.401 12.329 ( 0.066 0.440 -0.184) 0.482 12.351 ( 0.620 -0.317 -0.478) 0.844 12.406 ( 0.919 0.172 0.160) 0.948 12.418 ( 1.444 0.312 0.030) 1.477 12.433 ( 0.578 0.033 0.773) 0.966 12.458 ( 0.754 -0.525 -0.131) 0.928 12.706 ( 0.975 0.355 1.858) 2.128 12.719 ( 0.938 -0.247 1.836) 2.076 12.751 ( -1.181 0.234 -1.724) 2.103 12.763 ( -1.202 -0.220 -1.497) 1.932 13.115 ( 0.252 0.367 0.060) 0.449 13.139 ( 0.340 -0.644 -0.254) 0.771 13.142 ( 0.803 0.369 -0.078) 0.888 13.152 ( 0.528 -0.025 -0.316) 0.616 13.405 ( 0.215 0.510 0.001) 0.554 13.433 ( 0.352 -0.660 -0.962) 1.218 13.494 ( 0.406 0.471 0.778) 0.996 13.514 ( 0.327 -0.362 0.064) 0.492 13.708 ( 0.896 0.197 2.399) 2.569 13.723 ( 0.179 -0.524 1.229) 1.348 13.754 ( -1.441 0.661 -1.221) 2.001 13.777 ( -1.709 -0.347 -1.994) 2.649 ======================= Grid point 67 (31/78) ======================= q-point: ( 0.20 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 5.857 5.072 11.229) 13.643 1.145 ( 7.813 3.844 5.137) 10.110 1.263 ( 4.365 -1.474 8.814) 9.946 1.407 ( 1.442 3.236 -11.034) 11.589 1.419 ( 0.477 -2.205 -0.342) 2.282 1.453 ( 8.108 0.654 -7.276) 10.913 1.625 ( 5.545 -5.437 -3.191) 8.396 1.817 ( 7.074 -2.974 -6.480) 10.043 1.829 ( 1.764 -2.296 -0.311) 2.912 1.971 ( 1.410 3.166 -1.501) 3.777 1.986 ( -0.154 6.070 -0.631) 6.105 2.135 ( 8.485 2.996 8.483) 12.367 2.181 ( -4.174 -2.310 -2.559) 5.414 2.276 ( 5.394 -0.176 -0.591) 5.430 2.343 ( 2.615 -2.208 -0.392) 3.445 2.456 ( -3.572 -3.004 -3.786) 6.010 2.467 ( 3.248 6.008 -0.574) 6.854 2.534 ( -0.956 -2.806 -0.414) 2.993 2.611 ( -2.244 -0.886 3.294) 4.083 2.683 ( 0.557 2.890 5.935) 6.624 2.716 ( -4.418 2.589 -5.116) 7.238 2.764 ( -0.808 -1.523 1.980) 2.625 2.834 ( -3.954 -2.130 -1.341) 4.687 2.878 ( -2.527 3.003 -2.224) 4.511 2.906 ( -0.520 -0.306 2.697) 2.763 3.040 ( 4.435 -0.253 2.386) 5.043 3.085 ( 7.531 0.577 -6.526) 9.982 3.139 ( -3.221 4.019 0.944) 5.236 3.211 ( 8.586 -3.722 3.683) 10.057 3.330 ( -2.882 1.379 0.549) 3.242 3.389 ( -4.353 -2.548 6.139) 7.945 3.431 ( 2.836 -2.500 2.102) 4.326 3.491 ( -1.558 -3.187 3.551) 5.019 3.583 ( -4.370 1.869 -2.786) 5.509 3.666 ( -0.735 -3.512 -0.183) 3.593 3.701 ( -2.633 0.496 -3.778) 4.632 3.828 ( -6.011 2.865 1.428) 6.810 3.882 ( -3.946 0.843 1.875) 4.449 4.017 ( -2.658 2.257 -1.858) 3.951 4.154 ( -0.015 -2.807 -1.621) 3.242 4.237 ( -0.844 1.392 2.628) 3.091 4.292 ( -1.671 -1.380 0.960) 2.370 6.396 ( -0.863 0.280 0.437) 1.007 6.401 ( -0.621 0.200 -0.250) 0.699 6.415 ( -0.534 -0.289 0.352) 0.702 6.421 ( -0.792 -0.388 0.067) 0.885 6.791 ( -0.881 0.665 0.548) 1.232 6.822 ( -0.294 -0.662 0.450) 0.852 6.877 ( 0.383 0.903 -1.591) 1.869 6.919 ( 0.060 -0.764 -2.050) 2.189 7.118 ( -0.307 0.846 0.239) 0.931 7.156 ( 0.259 -0.812 0.070) 0.855 7.199 ( -0.351 0.648 1.441) 1.619 7.227 ( 0.895 -0.579 0.518) 1.185 7.835 ( -1.789 0.703 0.036) 1.923 7.864 ( -3.217 0.101 -0.619) 3.278 7.885 ( -1.592 -0.479 0.064) 1.664 7.900 ( -0.814 -0.606 -0.539) 1.149 8.096 ( -3.534 0.023 -0.022) 3.534 8.108 ( -1.898 -0.609 -0.109) 1.996 8.185 ( -3.024 1.552 0.645) 3.459 8.236 ( -1.951 -0.689 0.953) 2.278 8.814 ( -0.766 0.542 -0.207) 0.961 8.837 ( -0.183 0.029 0.317) 0.368 8.857 ( -0.335 0.012 -0.265) 0.427 8.867 ( -0.307 0.072 -0.038) 0.318 8.920 ( 1.099 0.221 0.527) 1.239 8.947 ( 1.120 -0.768 0.514) 1.452 8.974 ( 2.149 0.360 -0.464) 2.227 8.995 ( 1.287 -0.511 -0.780) 1.589 9.918 ( 0.011 0.388 0.184) 0.429 9.941 ( 0.514 -0.617 0.213) 0.831 9.962 ( 1.089 0.491 -0.013) 1.195 9.979 ( 1.424 -0.281 -0.558) 1.555 11.406 ( -0.641 0.135 -0.215) 0.689 11.414 ( -0.353 -0.235 0.181) 0.461 11.448 ( -0.694 0.638 0.829) 1.255 11.470 ( -0.538 -0.298 0.278) 0.675 12.303 ( -0.432 0.349 0.284) 0.623 12.317 ( 0.308 0.116 0.178) 0.374 12.331 ( 0.258 0.189 -0.020) 0.321 12.356 ( 0.522 -0.512 -0.259) 0.776 12.418 ( 1.235 0.669 -0.408) 1.463 12.452 ( 1.907 0.502 0.516) 2.038 12.456 ( 1.337 -0.765 0.457) 1.606 12.477 ( 1.644 -0.415 0.009) 1.696 12.707 ( -1.366 0.251 -1.841) 2.306 12.723 ( -1.042 -0.435 -1.328) 1.744 12.747 ( 0.874 0.399 1.707) 1.959 12.758 ( 0.949 -0.130 1.867) 2.098 13.123 ( 0.611 0.279 0.234) 0.711 13.143 ( 0.483 -0.519 -0.154) 0.725 13.153 ( 0.641 0.107 -0.161) 0.670 13.160 ( 0.559 -0.005 -0.125) 0.573 13.418 ( 1.012 0.285 0.572) 1.197 13.431 ( 0.584 -0.192 -0.988) 1.164 13.513 ( 0.948 0.033 0.727) 1.195 13.518 ( 0.391 -0.146 -0.305) 0.517 13.710 ( -1.709 0.194 -1.074) 2.027 13.722 ( -1.856 -0.297 -1.887) 2.663 13.739 ( -0.115 0.198 0.906) 0.935 13.745 ( -0.038 -0.105 1.919) 1.922 ======================= Grid point 68 (32/78) ======================= q-point: ( 0.30 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -0.976 3.787 2.303) 4.539 1.164 ( 4.741 3.352 -12.395) 13.688 1.329 ( -0.721 2.036 6.639) 6.981 1.394 ( 4.738 1.704 7.348) 8.908 1.545 ( 9.041 -3.001 -0.704) 9.552 1.581 ( 6.108 -2.933 -1.164) 6.875 1.778 ( 5.736 -3.456 1.114) 6.789 1.827 ( 9.052 -4.747 1.876) 10.392 1.912 ( -1.711 3.143 -3.565) 5.052 1.928 ( 3.557 1.983 -0.127) 4.075 2.001 ( -0.208 4.725 3.742) 6.031 2.094 ( -0.190 2.368 0.117) 2.378 2.208 ( -5.931 0.648 -4.123) 7.253 2.324 ( -1.653 -3.560 1.690) 4.274 2.395 ( 4.386 -1.340 -0.079) 4.587 2.414 ( 3.380 -1.922 -2.574) 4.663 2.475 ( -1.662 -1.465 -0.502) 2.272 2.541 ( -0.076 2.706 0.590) 2.770 2.579 ( -0.711 3.537 2.201) 4.226 2.632 ( -6.887 -3.441 -4.040) 8.694 2.723 ( 4.091 -1.448 -0.556) 4.375 2.753 ( -1.094 3.129 2.142) 3.947 2.770 ( -1.920 3.181 0.268) 3.726 2.824 ( -1.549 -1.085 -2.900) 3.462 2.976 ( -0.012 -2.545 1.557) 2.983 3.054 ( 1.695 2.099 -0.489) 2.742 3.138 ( 3.690 2.369 -0.073) 4.386 3.183 ( 6.367 3.624 -0.195) 7.328 3.286 ( -1.519 4.524 -0.907) 4.858 3.342 ( 0.720 -3.340 2.480) 4.222 3.375 ( -1.504 -2.386 2.187) 3.569 3.432 ( -2.997 1.335 -3.933) 5.122 3.490 ( -0.833 -4.638 0.163) 4.715 3.544 ( -0.784 -0.586 2.213) 2.420 3.622 ( -0.749 -2.885 -0.251) 2.991 3.643 ( -1.185 -2.929 -0.657) 3.228 3.789 ( -1.727 1.801 1.561) 2.943 3.829 ( -4.027 0.707 0.127) 4.090 3.970 ( -1.253 2.765 -0.594) 3.093 4.129 ( -0.617 -3.781 -1.714) 4.197 4.252 ( -0.991 1.101 2.932) 3.285 4.287 ( -0.958 -0.663 1.544) 1.934 6.384 ( -0.878 0.369 -0.380) 1.025 6.388 ( -0.742 0.391 0.452) 0.952 6.406 ( -0.934 -0.437 -0.072) 1.033 6.410 ( -0.456 -0.400 0.217) 0.644 6.787 ( -0.478 0.468 0.573) 0.881 6.819 ( -0.461 -1.013 0.146) 1.122 6.867 ( 0.030 1.084 -0.962) 1.450 6.901 ( -0.193 -0.462 -0.871) 1.005 7.117 ( 0.010 0.875 0.206) 0.899 7.163 ( 0.287 -1.121 0.197) 1.174 7.209 ( -0.026 1.028 0.879) 1.353 7.248 ( 1.237 -0.684 -0.082) 1.416 7.784 ( -4.115 0.304 -0.402) 4.146 7.795 ( -4.018 0.256 -0.383) 4.045 7.829 ( -4.192 0.669 -0.485) 4.273 7.887 ( -1.048 -1.297 -0.255) 1.687 8.046 ( -2.545 0.609 0.275) 2.631 8.085 ( -1.266 -1.271 0.145) 1.800 8.151 ( -1.493 1.973 0.292) 2.492 8.218 ( -1.319 -1.031 0.518) 1.752 8.800 ( -0.651 0.819 -0.312) 1.092 8.837 ( -0.346 0.182 0.505) 0.639 8.845 ( -0.589 -0.228 -0.502) 0.807 8.867 ( 0.097 -0.301 0.130) 0.342 8.947 ( 1.407 0.252 0.602) 1.551 8.969 ( 0.928 -0.573 0.423) 1.170 9.005 ( 2.155 -0.012 -0.476) 2.206 9.007 ( 1.216 -0.112 -0.643) 1.380 9.921 ( 0.165 0.525 0.096) 0.558 9.949 ( 0.616 -0.610 -0.091) 0.872 9.988 ( 1.065 0.192 0.699) 1.288 9.995 ( 1.282 -0.115 -0.188) 1.301 11.393 ( -0.677 0.299 -0.113) 0.749 11.409 ( -0.380 -0.439 0.107) 0.590 11.445 ( -0.653 0.572 0.600) 1.056 11.462 ( -0.564 -0.225 0.132) 0.621 12.299 ( -0.499 0.658 0.324) 0.887 12.327 ( 0.503 0.139 0.222) 0.567 12.336 ( 0.297 -0.127 0.021) 0.324 12.361 ( 0.409 -0.548 -0.154) 0.701 12.438 ( 1.412 0.788 -0.054) 1.618 12.480 ( 1.201 -0.515 0.462) 1.386 12.487 ( 1.761 -0.039 0.157) 1.768 12.505 ( 1.746 -0.287 -0.021) 1.770 12.671 ( -0.956 0.409 -1.195) 1.584 12.693 ( -0.800 -0.486 -1.082) 1.431 12.777 ( 0.621 0.300 1.265) 1.440 12.788 ( 0.572 -0.136 1.240) 1.373 13.137 ( 0.640 0.148 0.351) 0.745 13.150 ( 0.335 -0.324 0.162) 0.493 13.158 ( 0.084 -0.001 -0.159) 0.179 13.164 ( 0.083 -0.055 -0.163) 0.192 13.432 ( 0.710 0.212 -0.555) 0.926 13.445 ( 1.261 -0.297 0.642) 1.446 13.519 ( 0.384 0.470 -0.550) 0.819 13.539 ( 1.343 -0.365 0.463) 1.467 13.671 ( -1.173 0.144 -1.737) 2.101 13.682 ( -1.269 -0.340 -0.167) 1.324 13.741 ( -0.513 0.410 0.485) 0.816 13.757 ( -0.685 -0.254 1.185) 1.392 ======================= Grid point 69 (33/78) ======================= q-point: ( 0.40 0.25 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 2.206 2.521 3.253) 4.669 1.187 ( 3.868 2.943 0.961) 4.954 1.405 ( -1.509 0.935 8.885) 9.061 1.555 ( 4.460 -3.227 2.240) 5.943 1.629 ( 2.799 3.835 3.826) 6.097 1.647 ( 5.465 -2.041 -5.797) 8.224 1.786 ( 1.842 1.478 0.530) 2.420 1.862 ( 0.621 6.596 -0.794) 6.672 1.971 ( -2.768 0.871 -0.019) 2.902 1.973 ( -0.331 -2.848 3.210) 4.304 2.057 ( 1.916 0.062 4.840) 5.206 2.106 ( -2.208 0.089 2.967) 3.700 2.199 ( 4.540 1.044 4.290) 6.333 2.265 ( -0.013 -3.490 -0.543) 3.532 2.366 ( -1.755 0.495 -2.114) 2.792 2.418 ( -0.814 -2.294 -2.290) 3.342 2.496 ( -3.864 -1.802 -1.203) 4.430 2.513 ( -0.652 -4.017 -0.994) 4.189 2.548 ( -1.969 -1.465 0.681) 2.547 2.614 ( 4.565 4.421 0.004) 6.354 2.725 ( 1.132 2.447 -1.834) 3.261 2.741 ( 0.045 -1.519 0.306) 1.550 2.758 ( 1.173 0.483 -6.013) 6.145 2.814 ( 2.268 2.774 1.034) 3.729 2.943 ( -2.433 3.303 1.623) 4.412 3.110 ( -2.432 0.851 1.006) 2.766 3.170 ( -1.157 -0.475 -1.141) 1.693 3.230 ( 1.874 -2.611 -4.556) 5.575 3.257 ( 1.063 -1.692 0.768) 2.141 3.264 ( -4.051 2.630 -0.522) 4.858 3.379 ( 2.351 0.038 -4.715) 5.269 3.410 ( 0.807 -5.174 -1.567) 5.466 3.489 ( 1.257 1.312 -1.005) 2.077 3.555 ( -2.012 -2.240 -3.300) 4.468 3.575 ( 1.255 2.240 2.436) 3.539 3.690 ( 0.365 -0.273 1.216) 1.298 3.764 ( -1.665 1.107 -0.794) 2.151 3.787 ( -1.201 -1.510 1.333) 2.345 3.965 ( 0.117 2.260 1.058) 2.498 4.111 ( 0.410 -3.595 -0.791) 3.703 4.265 ( -1.290 0.461 2.957) 3.259 4.283 ( -1.103 -0.290 0.654) 1.315 6.370 ( -0.396 0.373 -0.110) 0.555 6.381 ( -0.593 0.230 0.209) 0.669 6.394 ( -0.612 -0.230 0.164) 0.674 6.404 ( -0.330 -0.353 -0.058) 0.486 6.786 ( -0.314 0.300 0.411) 0.598 6.814 ( -0.169 -1.050 -0.014) 1.064 6.860 ( -0.034 1.162 -0.287) 1.198 6.895 ( 0.050 -0.487 -0.066) 0.494 7.122 ( 0.361 0.638 0.227) 0.767 7.164 ( -0.557 -1.203 0.399) 1.385 7.214 ( 0.098 1.362 -0.133) 1.372 7.260 ( 0.854 -0.724 -0.854) 1.408 7.719 ( -2.996 0.374 -0.180) 3.025 7.738 ( -2.725 -0.173 0.335) 2.750 7.761 ( -3.044 1.750 -0.513) 3.548 7.857 ( -2.026 -1.873 -0.289) 2.774 8.023 ( -0.746 0.917 -0.030) 1.183 8.071 ( -0.870 -1.244 0.655) 1.653 8.143 ( -0.084 1.593 0.033) 1.596 8.202 ( -0.783 -0.997 -0.310) 1.305 8.789 ( -0.307 0.961 -0.296) 1.051 8.829 ( -0.423 0.356 -0.897) 1.053 8.838 ( -0.255 -0.233 0.429) 0.550 8.870 ( 0.051 -0.614 -0.040) 0.618 8.974 ( 0.976 0.035 0.759) 1.237 8.983 ( 0.316 -0.279 0.450) 0.616 9.017 ( 0.983 0.193 -0.689) 1.215 9.031 ( 1.345 -0.342 -0.223) 1.406 9.925 ( 0.123 0.565 0.094) 0.586 9.957 ( 0.411 -0.862 -0.059) 0.957 9.999 ( 0.539 0.653 -0.522) 0.995 10.020 ( 0.684 -0.336 1.096) 1.335 11.384 ( -0.400 0.375 0.104) 0.558 11.404 ( -0.279 -0.491 -0.158) 0.586 11.439 ( -0.551 0.531 0.251) 0.805 11.456 ( -0.392 -0.207 0.103) 0.455 12.295 ( -0.377 0.847 0.385) 1.004 12.335 ( 0.328 0.464 -0.021) 0.569 12.339 ( 0.085 -0.685 0.095) 0.697 12.365 ( 0.258 -0.473 -0.209) 0.578 12.459 ( 0.897 0.778 0.326) 1.231 12.501 ( 0.662 -0.865 0.456) 1.181 12.510 ( 0.928 0.347 -0.044) 0.991 12.529 ( 1.241 -0.327 -0.095) 1.287 12.656 ( -0.099 0.430 0.034) 0.442 12.679 ( -0.072 -0.510 -0.131) 0.531 12.789 ( -0.114 0.305 0.035) 0.328 12.799 ( -0.088 -0.144 0.176) 0.244 13.150 ( 0.480 0.033 0.418) 0.637 13.153 ( -0.241 0.050 -0.243) 0.346 13.157 ( 0.102 -0.189 0.462) 0.510 13.160 ( -0.310 -0.175 -0.148) 0.385 13.443 ( 0.763 0.346 0.296) 0.888 13.466 ( 0.653 -0.736 0.475) 1.092 13.520 ( 0.475 0.974 -0.523) 1.204 13.559 ( 0.810 -0.747 -0.246) 1.129 13.647 ( -0.143 0.529 -0.678) 0.872 13.673 ( -0.430 -0.550 0.758) 1.030 13.735 ( -0.482 0.394 -0.031) 0.623 13.750 ( -1.012 -0.230 0.178) 1.053 ======================= Grid point 70 (34/78) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -1.662 2.941 6.464) 7.293 1.321 ( 1.911 -1.453 7.480) 7.855 1.480 ( -0.986 2.527 8.438) 8.863 1.495 ( -3.967 3.541 2.525) 5.886 1.699 ( 6.933 2.641 -3.249) 8.099 1.773 ( -1.586 3.475 -3.199) 4.982 1.788 ( -3.847 3.288 4.982) 7.101 1.832 ( -3.993 2.645 3.141) 5.727 1.972 ( 5.154 -0.974 1.522) 5.462 1.996 ( 5.386 -0.954 1.715) 5.733 2.098 ( -1.823 -5.180 2.710) 6.124 2.151 ( -1.177 -1.367 7.411) 7.628 2.217 ( -6.497 -0.190 4.683) 8.011 2.305 ( -2.713 -0.455 -2.904) 4.000 2.349 ( -4.963 -5.549 -1.465) 7.587 2.368 ( 5.123 -3.074 -0.923) 6.045 2.411 ( 2.277 0.455 0.306) 2.342 2.511 ( 1.456 -0.153 -1.234) 1.915 2.529 ( -1.180 -4.658 -1.323) 4.984 2.679 ( -2.117 1.416 -1.938) 3.201 2.697 ( 3.742 0.448 -3.695) 5.278 2.745 ( 6.328 2.579 0.880) 6.890 2.819 ( 0.791 -2.088 -0.470) 2.282 2.866 ( 4.056 4.330 0.860) 5.995 2.938 ( -1.858 5.448 3.239) 6.605 3.004 ( -3.127 2.762 -1.761) 4.529 3.103 ( -5.819 -1.833 0.126) 6.102 3.182 ( 0.443 1.312 -3.972) 4.207 3.252 ( 4.346 -2.854 -5.369) 7.474 3.315 ( -1.343 1.337 0.369) 1.931 3.337 ( 1.045 -0.290 -8.817) 8.884 3.414 ( 1.564 -2.896 -0.839) 3.396 3.475 ( -0.545 0.900 -2.534) 2.744 3.497 ( -0.053 -0.741 -1.711) 1.865 3.549 ( -3.352 1.689 -3.388) 5.057 3.700 ( -0.897 -1.478 2.120) 2.736 3.746 ( 0.113 0.198 -0.458) 0.512 3.805 ( 0.909 -1.851 1.617) 2.620 3.983 ( -0.086 2.157 1.792) 2.806 4.128 ( 1.950 -3.549 -0.212) 4.055 4.267 ( -1.409 0.058 0.390) 1.463 4.268 ( -1.979 0.028 2.368) 3.086 6.371 ( 0.359 0.153 0.158) 0.421 6.375 ( -0.216 0.085 -0.079) 0.245 6.390 ( -0.152 0.044 0.320) 0.357 6.399 ( -0.139 -0.232 -0.134) 0.301 6.786 ( -0.303 0.391 0.350) 0.606 6.815 ( 0.251 -1.026 0.187) 1.072 6.861 ( 0.309 1.183 0.082) 1.226 6.901 ( 0.510 -0.659 0.268) 0.875 7.131 ( 0.307 0.254 0.290) 0.493 7.154 ( -1.074 -0.722 0.331) 1.335 7.208 ( -0.073 1.313 -0.887) 1.586 7.256 ( 0.129 -0.752 -1.435) 1.625 7.697 ( 0.420 0.666 0.248) 0.825 7.721 ( -0.006 0.157 0.298) 0.337 7.738 ( 0.683 1.275 0.406) 1.503 7.829 ( -0.368 -1.785 -0.870) 2.020 8.019 ( 0.283 0.909 0.079) 0.955 8.072 ( -0.108 -1.518 0.846) 1.741 8.141 ( -0.180 1.360 -0.266) 1.398 8.185 ( -0.588 -0.711 -0.809) 1.227 8.784 ( 0.162 0.976 -0.278) 1.028 8.814 ( -0.024 0.410 -1.152) 1.223 8.841 ( 0.096 -0.115 0.397) 0.425 8.867 ( -0.120 -0.675 -0.329) 0.761 8.983 ( -0.620 0.057 0.485) 0.790 8.994 ( 0.038 -0.395 0.867) 0.954 9.023 ( 0.452 0.285 -0.439) 0.691 9.041 ( 0.251 -0.439 -0.239) 0.559 9.926 ( -0.080 0.498 0.141) 0.523 9.958 ( -0.048 -0.969 -0.499) 1.091 10.001 ( -0.005 1.019 0.277) 1.056 10.033 ( -0.167 -0.506 0.597) 0.801 11.383 ( 0.040 0.305 0.212) 0.374 11.399 ( -0.015 -0.387 -0.293) 0.486 11.433 ( -0.356 0.558 0.101) 0.670 11.452 ( -0.136 -0.258 0.004) 0.291 12.296 ( -0.189 0.895 0.497) 1.041 12.335 ( -0.050 0.620 -0.359) 0.718 12.341 ( -0.109 -0.874 0.233) 0.911 12.365 ( 0.063 -0.474 -0.310) 0.570 12.471 ( 0.009 0.684 0.608) 0.915 12.507 ( -0.341 -0.589 0.090) 0.687 12.516 ( -0.090 0.317 0.116) 0.350 12.540 ( 0.157 -0.443 -0.061) 0.474 12.669 ( 0.815 0.329 1.248) 1.526 12.689 ( 0.750 -0.497 0.895) 1.269 12.774 ( -0.869 0.398 -1.142) 1.490 12.788 ( -0.819 -0.176 -0.920) 1.244 13.147 ( -0.200 -0.097 -0.096) 0.242 13.152 ( -0.405 -0.184 -0.119) 0.460 13.161 ( 0.216 0.014 0.429) 0.480 13.164 ( 0.212 -0.027 0.419) 0.470 13.461 ( 0.479 0.203 1.213) 1.320 13.474 ( -0.428 -0.345 0.430) 0.698 13.521 ( 0.432 0.674 -0.516) 0.953 13.557 ( -0.345 -0.844 -0.926) 1.300 13.650 ( 0.616 0.757 0.232) 1.003 13.681 ( 0.196 -0.611 1.156) 1.322 13.726 ( -0.225 0.260 -0.703) 0.782 13.735 ( -0.538 -0.126 -0.201) 0.588 ======================= Grid point 71 (35/78) ======================= q-point: (-0.40 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -5.041 2.400 6.025) 8.214 1.329 ( -6.617 1.891 2.649) 7.374 1.435 ( -7.724 3.664 8.320) 11.929 1.611 ( -5.689 0.708 -3.041) 6.490 1.658 ( -3.683 -0.850 0.384) 3.799 1.681 ( 0.880 -0.793 11.226) 11.289 1.849 ( 0.085 2.033 1.679) 2.638 1.862 ( 3.109 4.458 2.884) 6.153 1.994 ( -6.442 -0.903 2.249) 6.883 2.020 ( 4.712 2.494 -5.636) 7.759 2.137 ( -4.640 1.484 4.506) 6.636 2.178 ( -3.083 -2.256 7.159) 8.115 2.213 ( -0.470 -3.106 3.023) 4.360 2.259 ( 0.356 -3.053 2.292) 3.834 2.294 ( 2.525 -2.624 -2.140) 4.224 2.386 ( -1.057 -1.938 -5.509) 5.935 2.455 ( 1.114 -1.301 -1.943) 2.590 2.505 ( 4.515 1.817 1.188) 5.010 2.576 ( 0.577 -1.432 -2.249) 2.729 2.659 ( 5.116 -8.396 0.286) 9.836 2.700 ( 1.473 2.065 -3.599) 4.403 2.727 ( -6.868 1.151 1.041) 7.041 2.843 ( -0.293 1.682 -0.859) 1.911 2.896 ( -0.079 -0.393 3.138) 3.163 2.968 ( 1.835 3.563 1.144) 4.168 3.030 ( -0.408 1.158 -0.345) 1.276 3.063 ( 0.260 6.354 0.105) 6.360 3.140 ( -2.894 5.119 -2.409) 6.355 3.164 ( -2.292 -0.155 -4.743) 5.270 3.226 ( -0.173 -0.706 -7.814) 7.847 3.270 ( 2.971 -0.039 -9.931) 10.366 3.432 ( -0.199 -0.238 0.007) 0.310 3.442 ( 1.886 0.433 -0.115) 1.939 3.491 ( 0.542 -3.697 -5.611) 6.741 3.584 ( 3.960 -1.971 4.918) 6.615 3.638 ( -1.865 -3.991 0.335) 4.418 3.785 ( 0.876 0.657 0.067) 1.097 3.822 ( -0.277 0.023 1.252) 1.282 4.003 ( 0.446 2.442 2.103) 3.253 4.152 ( 2.129 -3.147 -2.137) 4.359 4.247 ( -2.552 0.152 1.565) 2.998 4.263 ( -0.878 -0.490 2.261) 2.474 6.371 ( 0.109 0.120 -0.119) 0.201 6.382 ( 0.729 -0.341 -0.344) 0.875 6.396 ( 0.345 0.138 0.660) 0.758 6.399 ( 0.283 0.089 -0.014) 0.297 6.782 ( -0.391 0.668 0.131) 0.785 6.823 ( 0.169 -1.199 0.398) 1.275 6.872 ( 1.026 1.229 0.003) 1.601 6.917 ( 1.052 -0.807 0.297) 1.358 7.137 ( -0.461 0.010 0.850) 0.967 7.144 ( -0.083 -0.209 -0.005) 0.225 7.193 ( -0.496 1.116 -0.969) 1.559 7.237 ( -0.588 -0.709 -1.353) 1.637 7.735 ( 3.546 0.753 0.280) 3.635 7.746 ( 3.062 1.121 -0.269) 3.271 7.784 ( 3.345 -0.228 1.333) 3.608 7.831 ( 2.041 -1.334 -1.447) 2.835 8.036 ( 1.382 0.646 0.837) 1.740 8.080 ( 0.474 -1.374 0.040) 1.454 8.134 ( -0.315 1.168 -0.071) 1.212 8.168 ( -0.411 -0.472 -0.941) 1.130 8.788 ( 0.574 0.884 -0.263) 1.086 8.806 ( 0.544 0.480 -1.015) 1.248 8.850 ( 0.489 -0.258 0.477) 0.730 8.861 ( -0.028 -0.428 -0.398) 0.586 8.971 ( -1.543 0.277 0.517) 1.651 8.995 ( -1.070 -0.697 0.745) 1.478 9.020 ( -0.306 0.208 -0.309) 0.482 9.034 ( -0.725 -0.355 -0.337) 0.875 9.925 ( -0.276 0.383 0.247) 0.533 9.947 ( -0.421 -0.516 -0.693) 0.961 10.005 ( -0.367 0.543 1.132) 1.308 10.027 ( -0.928 -0.375 0.001) 1.001 11.388 ( 0.389 0.222 0.057) 0.451 11.399 ( 0.341 -0.240 -0.172) 0.451 11.432 ( -0.096 0.536 0.320) 0.631 11.451 ( 0.074 -0.275 -0.174) 0.334 12.299 ( -0.060 0.830 0.591) 1.020 12.329 ( -0.129 0.611 -0.340) 0.712 12.339 ( -0.432 -0.665 0.225) 0.824 12.362 ( -0.003 -0.592 -0.319) 0.672 12.471 ( -0.895 0.487 0.743) 1.261 12.493 ( -1.177 0.059 -0.252) 1.206 12.508 ( -1.266 0.001 0.295) 1.300 12.533 ( -1.021 -0.551 -0.008) 1.160 12.703 ( 1.252 0.081 1.717) 2.126 12.715 ( 0.824 -0.524 0.904) 1.331 12.743 ( -0.891 0.591 -1.134) 1.558 12.758 ( -1.186 -0.103 -1.476) 1.896 13.141 ( -0.465 0.015 0.056) 0.468 13.150 ( 0.129 -0.280 0.098) 0.324 13.166 ( 0.003 0.026 0.301) 0.302 13.170 ( 0.071 -0.045 0.210) 0.226 13.459 ( -1.644 0.397 0.124) 1.696 13.478 ( -0.393 -0.334 1.459) 1.548 13.525 ( 0.378 0.025 -0.236) 0.446 13.532 ( -1.108 -0.284 -1.181) 1.644 13.671 ( 1.371 0.582 0.799) 1.690 13.698 ( 0.485 -0.559 -0.325) 0.808 13.717 ( 0.358 0.322 0.156) 0.506 13.729 ( -0.127 -0.191 -0.272) 0.356 ======================= Grid point 72 (36/78) ======================= q-point: (-0.30 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -15.560 4.807 2.443) 16.468 1.189 ( -12.711 2.583 -1.064) 13.014 1.377 ( -10.710 -4.478 8.588) 14.440 1.438 ( -9.544 -5.538 -1.732) 11.169 1.640 ( 1.310 5.885 3.400) 6.921 1.834 ( -1.980 -1.294 3.308) 4.067 1.844 ( -1.850 -1.701 0.717) 2.613 1.897 ( 1.968 -3.835 9.180) 10.142 1.967 ( -0.088 6.220 -6.686) 9.132 2.019 ( -13.769 5.313 -3.630) 15.198 2.081 ( 1.591 2.934 2.095) 3.941 2.114 ( -2.636 1.169 1.236) 3.137 2.186 ( -2.166 0.035 2.952) 3.661 2.295 ( -1.860 -0.713 -2.286) 3.032 2.298 ( 1.567 3.878 2.027) 4.648 2.420 ( 1.278 -0.973 -5.481) 5.712 2.441 ( -4.943 3.594 -2.325) 6.538 2.486 ( 6.823 -1.696 0.784) 7.074 2.573 ( -0.127 -1.551 2.491) 2.937 2.670 ( 0.344 -1.238 -2.123) 2.481 2.684 ( 0.701 -0.621 -0.585) 1.104 2.725 ( 1.222 -1.539 -2.263) 2.997 2.870 ( 4.384 -6.663 4.109) 8.972 2.900 ( -6.701 0.628 -4.166) 7.915 2.955 ( -1.649 0.022 5.185) 5.441 2.972 ( -0.088 1.846 -1.237) 2.224 3.018 ( -0.511 3.184 -2.137) 3.869 3.092 ( 0.113 0.618 -4.613) 4.656 3.160 ( 0.253 -1.713 -3.834) 4.207 3.229 ( 4.580 1.873 -2.699) 5.636 3.264 ( 4.994 -0.447 0.174) 5.017 3.363 ( -3.291 -3.857 -2.681) 5.735 3.450 ( -1.540 -5.191 2.164) 5.831 3.494 ( 3.107 -3.016 -3.538) 5.592 3.667 ( 4.602 4.067 3.795) 7.219 3.738 ( 4.863 2.039 2.292) 5.750 3.767 ( 0.143 2.176 -1.141) 2.461 3.838 ( 1.394 -0.455 1.680) 2.229 4.045 ( 1.973 1.653 1.822) 3.153 4.149 ( 1.565 -1.598 -3.560) 4.204 4.222 ( -2.385 0.687 1.582) 2.944 4.290 ( 0.533 -2.164 2.932) 3.683 6.376 ( 0.645 0.119 -0.086) 0.662 6.388 ( 0.559 -0.441 -0.301) 0.773 6.405 ( 0.347 0.305 -0.027) 0.463 6.410 ( 0.428 -0.027 0.347) 0.552 6.779 ( -0.007 0.822 0.026) 0.823 6.827 ( -0.030 -1.396 0.265) 1.421 6.889 ( 1.282 1.257 -0.546) 1.877 6.937 ( 1.231 -0.892 -0.206) 1.534 7.135 ( -0.652 0.118 0.662) 0.937 7.148 ( 0.427 -0.234 -0.206) 0.529 7.177 ( -0.583 1.041 -0.097) 1.197 7.216 ( -0.880 -0.673 0.141) 1.117 7.793 ( 3.449 0.933 -0.465) 3.603 7.808 ( 4.411 0.420 -0.178) 4.435 7.849 ( 2.720 -0.479 0.769) 2.867 7.858 ( 2.891 -0.744 -1.408) 3.301 8.081 ( 2.653 0.289 1.371) 3.000 8.097 ( 1.995 -0.415 0.094) 2.040 8.133 ( 0.193 0.664 0.203) 0.721 8.158 ( 0.746 -0.344 -1.066) 1.346 8.797 ( 0.834 0.682 -0.099) 1.081 8.810 ( 1.002 0.388 -0.720) 1.294 8.857 ( 0.197 -0.130 -0.085) 0.251 8.868 ( 0.809 -0.345 0.378) 0.958 8.947 ( -2.044 0.419 0.525) 2.152 8.977 ( -1.912 -0.780 0.535) 2.133 9.007 ( -1.095 0.118 -0.151) 1.112 9.014 ( -1.002 -0.250 -0.680) 1.237 9.923 ( -0.377 0.224 0.365) 0.570 9.933 ( -0.504 -0.159 -0.444) 0.690 10.007 ( -1.261 0.039 -0.323) 1.302 10.011 ( -0.615 -0.115 1.313) 1.454 11.396 ( 0.582 0.245 -0.025) 0.632 11.405 ( 0.626 -0.131 -0.038) 0.641 11.437 ( 0.060 0.390 0.593) 0.713 11.451 ( 0.187 -0.195 -0.205) 0.339 12.305 ( -0.019 0.674 0.569) 0.882 12.325 ( 0.068 0.628 -0.206) 0.665 12.333 ( -0.620 -0.451 0.389) 0.860 12.358 ( 0.003 -0.600 -0.308) 0.674 12.457 ( -1.736 0.164 0.250) 1.762 12.468 ( -1.575 0.300 0.065) 1.605 12.484 ( -2.033 0.081 0.324) 2.060 12.511 ( -1.649 -0.601 0.102) 1.758 12.696 ( -1.000 0.270 -1.719) 2.007 12.713 ( -0.911 -0.489 -1.490) 1.814 12.751 ( 1.033 0.373 1.595) 1.936 12.760 ( 1.021 -0.070 1.651) 1.942 13.135 ( -0.527 0.224 0.293) 0.643 13.153 ( -0.097 -0.474 0.162) 0.510 13.165 ( -0.341 0.101 -0.001) 0.355 13.171 ( -0.220 -0.091 0.068) 0.248 13.435 ( -1.423 0.560 0.432) 1.589 13.471 ( -1.326 -1.097 -0.051) 1.722 13.508 ( -0.872 0.646 -0.249) 1.113 13.524 ( -0.331 -0.198 -0.172) 0.422 13.682 ( -0.352 0.326 -1.764) 1.828 13.701 ( 0.903 -0.484 0.138) 1.034 13.730 ( 0.808 0.511 0.442) 1.053 13.749 ( 1.860 -0.309 1.224) 2.248 ======================= Grid point 73 (37/78) ======================= q-point: (-0.20 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( -19.014 8.305 -1.752) 20.822 0.897 ( -21.430 6.973 1.373) 22.578 1.321 ( -7.209 -10.083 7.579) 14.529 1.337 ( -5.632 -10.748 3.050) 12.512 1.537 ( -23.329 11.225 -8.848) 27.359 1.647 ( -1.763 4.129 -1.667) 4.789 1.809 ( -4.508 0.662 -2.506) 5.200 1.828 ( -5.679 5.288 -0.114) 7.760 1.985 ( -1.522 -3.854 -0.612) 4.189 2.005 ( 1.338 4.431 4.509) 6.462 2.043 ( -3.790 1.342 4.136) 5.768 2.146 ( 3.074 0.657 0.488) 3.181 2.153 ( -1.922 3.437 -3.427) 5.220 2.196 ( 0.777 -3.312 -2.396) 4.161 2.311 ( -1.551 -0.584 -4.111) 4.433 2.434 ( -4.010 -2.072 1.126) 4.652 2.437 ( 1.559 3.513 1.188) 4.023 2.496 ( 6.049 5.405 -0.927) 8.165 2.639 ( -0.061 0.947 -1.416) 1.705 2.683 ( -1.811 -2.326 1.824) 3.467 2.693 ( 5.416 -2.187 1.565) 6.047 2.753 ( -2.682 -2.887 -0.207) 3.946 2.799 ( 5.684 -0.546 -0.985) 5.795 2.885 ( -2.885 -4.068 -2.677) 5.661 2.943 ( -1.079 -1.441 1.167) 2.145 2.992 ( -1.394 3.685 4.032) 5.637 3.044 ( 1.725 -4.344 -0.889) 4.758 3.070 ( 3.678 0.777 -4.083) 5.550 3.154 ( 1.143 -0.751 0.639) 1.509 3.234 ( 0.532 2.584 -2.185) 3.426 3.299 ( 0.112 0.800 0.501) 0.951 3.355 ( -2.065 -6.284 2.753) 7.165 3.465 ( 2.468 -4.968 1.147) 5.665 3.506 ( 1.422 -2.913 0.155) 3.246 3.711 ( 0.361 2.393 -0.942) 2.597 3.761 ( -1.980 -0.643 -1.459) 2.542 3.838 ( 6.525 6.353 2.938) 9.569 3.963 ( 9.045 3.315 2.365) 9.920 4.093 ( 2.259 0.189 0.441) 2.309 4.143 ( 2.651 -0.286 -2.894) 3.935 4.213 ( -1.352 1.544 2.598) 3.311 4.332 ( 1.370 -2.729 1.836) 3.563 6.389 ( 0.856 0.036 0.043) 0.858 6.394 ( 0.448 -0.265 -0.073) 0.526 6.409 ( 0.132 0.254 0.074) 0.296 6.414 ( -0.069 -0.046 -0.082) 0.117 6.784 ( 0.596 0.788 0.080) 0.991 6.828 ( 0.010 -1.386 0.087) 1.388 6.897 ( 0.852 1.354 -1.402) 2.127 6.945 ( 0.488 -0.835 -1.085) 1.454 7.127 ( -0.613 -0.009 -0.140) 0.629 7.150 ( 0.462 -0.457 -0.822) 1.048 7.179 ( -0.013 1.129 1.314) 1.732 7.217 ( -0.822 -0.939 2.558) 2.846 7.831 ( 1.903 0.797 -0.362) 2.094 7.858 ( 1.430 -0.325 0.113) 1.470 7.882 ( 1.440 0.196 -0.508) 1.539 7.887 ( 2.409 -0.449 -0.996) 2.645 8.137 ( 2.502 0.722 -0.347) 2.627 8.147 ( 2.944 0.166 1.039) 3.127 8.151 ( 1.494 -0.040 2.084) 2.565 8.172 ( 2.764 -0.372 -1.560) 3.196 8.811 ( 0.858 0.424 0.213) 0.981 8.820 ( 1.074 0.195 -0.552) 1.224 8.863 ( 0.488 0.226 0.207) 0.577 8.883 ( 0.649 -0.360 -0.004) 0.742 8.919 ( -2.007 0.481 0.505) 2.125 8.949 ( -2.045 -0.699 0.425) 2.202 8.984 ( -1.182 0.121 -0.529) 1.301 8.994 ( -0.707 -0.322 -0.459) 0.902 9.921 ( -0.414 0.007 0.369) 0.554 9.923 ( -0.373 -0.044 -0.170) 0.413 9.984 ( -1.088 0.525 -0.391) 1.270 10.012 ( -0.756 -0.652 0.880) 1.331 11.406 ( 0.600 0.268 0.079) 0.662 11.416 ( 0.745 -0.041 -0.122) 0.756 11.444 ( 0.018 0.315 0.634) 0.708 11.454 ( 0.215 -0.086 0.156) 0.279 12.310 ( 0.014 0.503 0.404) 0.645 12.327 ( 0.318 0.593 -0.155) 0.690 12.330 ( -0.530 -0.444 0.812) 1.067 12.355 ( 0.013 -0.420 -0.425) 0.597 12.425 ( -1.982 0.119 -0.122) 1.990 12.442 ( -1.961 -0.463 0.118) 2.018 12.458 ( -1.671 0.585 0.698) 1.903 12.486 ( -1.550 -0.521 0.207) 1.648 12.669 ( -0.420 0.446 -1.023) 1.192 12.686 ( -0.632 -0.285 -0.964) 1.187 12.781 ( 0.710 0.204 1.044) 1.279 12.789 ( 0.626 -0.141 1.139) 1.308 13.130 ( -0.646 0.269 0.408) 0.810 13.145 ( -0.699 -0.004 -0.207) 0.729 13.159 ( -0.419 -0.199 0.023) 0.465 13.165 ( -0.400 -0.135 -0.102) 0.435 13.428 ( -0.450 0.317 0.921) 1.073 13.448 ( -0.798 -0.578 -0.626) 1.168 13.491 ( -0.885 0.581 -0.372) 1.122 13.514 ( -0.688 -0.425 0.088) 0.813 13.658 ( -0.450 0.714 -1.216) 1.480 13.700 ( -0.089 -1.122 -0.450) 1.212 13.762 ( 1.628 0.905 0.735) 2.002 13.791 ( 1.893 -0.425 0.748) 2.079 ======================= Grid point 74 (38/78) ======================= q-point: (-0.10 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( -15.484 16.209 -1.148) 22.446 0.643 ( -10.845 16.929 9.365) 22.179 1.101 ( -25.161 22.030 7.905) 34.364 1.192 ( -7.788 -13.825 -0.561) 15.877 1.416 ( 2.916 -13.236 4.959) 14.432 1.562 ( -4.101 -3.524 -3.944) 6.693 1.700 ( -3.220 6.173 -3.443) 7.767 1.783 ( 1.150 6.019 0.576) 6.155 1.890 ( -4.264 1.805 -3.932) 6.075 2.010 ( -3.700 -5.345 -0.898) 6.562 2.024 ( -3.090 -4.870 -1.070) 5.866 2.112 ( 1.401 -0.959 -4.641) 4.942 2.191 ( 1.871 5.776 1.491) 6.252 2.206 ( 3.974 -5.247 -1.509) 6.753 2.298 ( -3.475 -6.307 1.045) 7.276 2.364 ( 0.107 5.787 2.038) 6.136 2.470 ( 0.467 -0.973 1.453) 1.810 2.548 ( -0.222 -0.901 -0.875) 1.275 2.611 ( -2.334 1.296 2.775) 3.851 2.708 ( 1.314 0.070 0.178) 1.328 2.731 ( -0.957 3.905 0.585) 4.063 2.772 ( -1.425 0.025 -0.821) 1.644 2.825 ( 4.505 -0.285 -0.773) 4.579 2.880 ( 4.452 -1.138 -0.426) 4.615 2.936 ( -0.732 0.432 -0.758) 1.139 3.018 ( 2.971 0.036 -0.292) 2.986 3.034 ( 0.902 1.126 -3.660) 3.934 3.121 ( 2.285 -1.670 1.055) 3.020 3.156 ( -3.550 -0.042 0.410) 3.574 3.208 ( -1.341 4.131 0.643) 4.390 3.320 ( -2.701 -2.723 4.490) 5.905 3.357 ( 3.115 1.820 3.144) 4.785 3.507 ( 1.136 -7.465 0.390) 7.561 3.569 ( 1.821 -5.466 4.323) 7.203 3.682 ( -3.732 -0.506 -2.127) 4.325 3.714 ( -0.832 -1.705 0.726) 2.031 3.942 ( 3.142 7.787 1.248) 8.490 4.084 ( 5.806 1.220 -4.436) 7.408 4.118 ( 1.591 -0.091 -1.319) 2.069 4.188 ( 2.914 0.146 -0.699) 3.000 4.234 ( 2.182 4.272 0.378) 4.812 4.365 ( 1.189 -1.989 -0.097) 2.320 6.398 ( 0.129 -0.090 0.228) 0.277 6.402 ( 0.573 -0.108 0.110) 0.594 6.412 ( 0.028 0.075 0.407) 0.415 6.415 ( 0.145 -0.019 0.579) 0.597 6.798 ( 0.912 0.769 -0.045) 1.193 6.836 ( 0.370 -0.888 0.918) 1.330 6.891 ( 0.829 1.169 -1.292) 1.930 6.930 ( -0.610 -0.522 -1.360) 1.580 7.118 ( -0.493 -0.187 0.142) 0.546 7.149 ( 0.660 -0.839 -0.885) 1.386 7.196 ( 0.129 0.859 1.348) 1.604 7.235 ( -0.981 -2.132 2.748) 3.614 7.854 ( 0.736 0.319 0.507) 0.949 7.864 ( 0.195 0.337 -0.243) 0.459 7.898 ( 0.830 0.184 0.047) 0.851 7.904 ( 0.983 -0.142 -0.781) 1.263 8.161 ( 1.754 0.645 -0.780) 2.025 8.181 ( 0.898 -0.050 -0.289) 0.944 8.204 ( 1.478 0.059 2.020) 2.504 8.217 ( 3.106 -0.236 0.129) 3.117 8.826 ( 0.503 0.182 0.425) 0.683 8.830 ( 0.776 0.085 -0.451) 0.902 8.874 ( 0.517 0.298 0.221) 0.636 8.887 ( 0.202 0.012 -0.536) 0.573 8.896 ( -1.494 0.497 0.450) 1.637 8.925 ( -1.430 -0.644 0.481) 1.640 8.962 ( -0.477 0.105 -0.959) 1.077 8.982 ( -0.320 -0.604 -0.244) 0.726 9.917 ( -0.150 -0.029 -0.067) 0.166 9.918 ( -0.372 -0.134 0.361) 0.536 9.966 ( -0.553 0.728 -0.421) 1.007 10.004 ( -0.893 -1.076 -0.080) 1.401 11.415 ( 0.376 0.215 0.139) 0.455 11.424 ( 0.615 0.017 -0.516) 0.803 11.449 ( -0.165 0.407 0.560) 0.712 11.461 ( 0.179 -0.091 0.635) 0.666 12.313 ( -0.103 0.375 0.204) 0.439 12.331 ( 0.037 -0.076 0.077) 0.115 12.334 ( 0.138 -0.264 0.521) 0.600 12.351 ( 0.096 -0.306 -0.523) 0.614 12.396 ( -1.650 -0.191 0.024) 1.661 12.416 ( -1.361 -0.674 0.278) 1.545 12.442 ( -1.244 0.561 0.501) 1.454 12.467 ( -1.016 -0.451 0.110) 1.117 12.664 ( 0.427 0.483 -0.075) 0.649 12.677 ( 0.019 -0.161 0.164) 0.231 12.792 ( -0.049 0.216 0.053) 0.228 12.801 ( -0.029 -0.157 0.202) 0.258 13.122 ( -0.655 0.242 0.179) 0.721 13.136 ( -0.088 0.229 -0.204) 0.319 13.150 ( -0.544 -0.092 -0.400) 0.682 13.157 ( -0.306 -0.139 -0.287) 0.442 13.424 ( -0.413 0.237 -0.669) 0.822 13.442 ( -0.090 -0.610 0.407) 0.739 13.477 ( -0.301 0.806 -0.028) 0.861 13.507 ( -0.414 -0.536 0.334) 0.755 13.649 ( 0.139 0.869 0.205) 0.904 13.698 ( 0.132 -1.215 0.076) 1.224 13.785 ( 0.742 0.919 -0.056) 1.182 13.818 ( 0.876 -0.484 -0.136) 1.010 ======================= Grid point 75 (39/78) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -0.080 -14.595 4.811) 15.368 0.772 ( -0.080 14.595 4.811) 15.368 1.071 ( -5.814 -15.574 4.331) 17.179 1.071 ( -5.814 15.574 4.331) 17.179 1.512 ( 10.592 -8.963 6.197) 15.196 1.512 ( 10.592 8.963 6.197) 15.196 1.746 ( -3.859 -6.881 -1.875) 8.109 1.746 ( -3.859 6.881 -1.875) 8.109 1.828 ( -3.841 -3.922 -4.292) 6.968 1.828 ( -3.841 3.922 -4.292) 6.968 2.031 ( 2.343 -7.954 1.359) 8.403 2.031 ( 2.343 7.954 1.359) 8.403 2.125 ( 2.474 -2.511 -5.172) 6.259 2.125 ( 2.474 2.511 -5.172) 6.259 2.374 ( 0.518 -4.119 1.845) 4.543 2.374 ( 0.518 4.119 1.845) 4.543 2.502 ( 1.555 -1.514 1.596) 2.694 2.502 ( 1.555 1.514 1.596) 2.694 2.662 ( -4.369 -2.942 -0.844) 5.334 2.662 ( -4.369 2.942 -0.844) 5.334 2.793 ( -0.411 -5.671 1.124) 5.796 2.793 ( -0.411 5.671 1.124) 5.796 2.864 ( 0.817 -2.915 -0.313) 3.043 2.864 ( 0.817 2.915 -0.313) 3.043 3.012 ( -1.336 -2.059 -1.490) 2.871 3.012 ( -1.336 2.059 -1.490) 2.871 3.024 ( 2.079 -2.926 -0.972) 3.718 3.024 ( 2.079 2.926 -0.972) 3.718 3.264 ( -1.072 -1.315 -0.712) 1.840 3.264 ( -1.072 1.315 -0.712) 1.840 3.315 ( -0.193 -0.746 4.945) 5.004 3.315 ( -0.193 0.746 4.945) 5.004 3.522 ( 0.261 -4.483 3.506) 5.698 3.522 ( 0.261 4.483 3.506) 5.698 3.693 ( 1.062 -2.520 1.169) 2.974 3.693 ( 1.062 2.520 1.169) 2.974 4.073 ( -0.744 -3.100 -1.329) 3.454 4.073 ( -0.744 3.100 -1.329) 3.454 4.140 ( -0.208 -2.164 -2.489) 3.305 4.140 ( -0.208 2.164 -2.489) 3.305 4.313 ( -1.062 -3.206 -1.818) 3.835 4.313 ( -1.062 3.206 -1.818) 3.835 6.404 ( -0.017 -0.170 0.359) 0.398 6.404 ( -0.017 0.170 0.359) 0.398 6.420 ( 0.008 -0.224 0.495) 0.543 6.420 ( 0.008 0.224 0.495) 0.543 6.826 ( -0.312 -0.836 0.415) 0.984 6.826 ( -0.312 0.836 0.415) 0.984 6.905 ( 0.988 -0.497 -1.558) 1.911 6.905 ( 0.988 0.497 -1.558) 1.911 7.129 ( 0.584 -1.175 -0.504) 1.405 7.129 ( 0.584 1.175 -0.504) 1.405 7.211 ( -1.385 -0.219 1.530) 2.075 7.211 ( -1.385 0.219 1.530) 2.075 7.863 ( -0.099 -0.930 0.145) 0.946 7.863 ( -0.099 0.930 0.145) 0.946 7.910 ( 0.256 -0.269 0.073) 0.379 7.910 ( 0.256 0.269 0.073) 0.379 8.174 ( -0.464 -0.135 -0.699) 0.850 8.174 ( -0.464 0.135 -0.699) 0.850 8.244 ( 0.314 -0.640 1.146) 1.350 8.244 ( 0.314 0.640 1.146) 1.350 8.835 ( 0.069 -0.058 -0.004) 0.090 8.835 ( 0.069 0.058 -0.004) 0.090 8.885 ( -0.048 -0.304 -0.485) 0.574 8.885 ( -0.048 0.304 -0.485) 0.574 8.899 ( -0.295 -0.798 0.566) 1.022 8.899 ( -0.295 0.798 0.566) 1.022 8.960 ( 0.267 -0.860 -0.605) 1.085 8.960 ( 0.267 0.860 -0.605) 1.085 9.917 ( 0.011 -0.018 0.257) 0.258 9.917 ( 0.011 0.018 0.257) 0.258 9.969 ( -0.231 -0.608 -0.846) 1.067 9.969 ( -0.231 0.608 -0.846) 1.067 11.422 ( -0.044 -0.115 -0.181) 0.219 11.422 ( -0.044 0.115 -0.181) 0.219 11.462 ( -0.208 -0.519 0.597) 0.818 11.462 ( -0.208 0.519 0.597) 0.818 12.317 ( -0.539 -0.393 0.195) 0.695 12.317 ( -0.539 0.393 0.195) 0.695 12.342 ( 0.273 -0.357 -0.479) 0.657 12.342 ( 0.273 0.357 -0.479) 0.657 12.396 ( 0.273 -0.639 0.346) 0.776 12.396 ( 0.273 0.639 0.346) 0.776 12.444 ( -0.496 -0.741 0.081) 0.895 12.444 ( -0.496 0.741 0.081) 0.895 12.685 ( 0.660 -0.302 1.078) 1.300 12.685 ( 0.660 0.302 1.078) 1.300 12.786 ( -0.759 -0.304 -0.901) 1.217 12.786 ( -0.759 0.304 -0.901) 1.217 13.124 ( -0.160 -0.615 -0.013) 0.636 13.124 ( -0.160 0.615 -0.013) 0.636 13.147 ( 0.127 -0.349 -0.487) 0.612 13.147 ( 0.127 0.349 -0.487) 0.612 13.422 ( -0.148 -0.761 -0.548) 0.949 13.422 ( -0.148 0.761 -0.548) 0.949 13.497 ( 0.107 -0.676 0.488) 0.840 13.497 ( 0.107 0.676 0.488) 0.840 13.686 ( 0.636 -1.009 1.319) 1.778 13.686 ( 0.636 1.009 1.319) 1.778 13.800 ( -0.553 -0.816 -1.049) 1.439 13.800 ( -0.553 0.816 -1.049) 1.439 ======================= Grid point 77 (40/78) ======================= q-point: ( 0.10 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 6.852 -10.154 10.476) 16.119 0.922 ( 6.852 10.154 10.476) 16.119 1.116 ( 3.175 -13.395 9.211) 16.564 1.116 ( 3.175 13.395 9.211) 16.564 1.614 ( -2.499 -5.773 -8.370) 10.471 1.614 ( -2.499 5.773 -8.370) 10.471 1.718 ( 1.078 -7.832 -8.879) 11.889 1.718 ( 1.078 7.832 -8.879) 11.889 1.780 ( 10.122 -2.410 -0.581) 10.421 1.780 ( 10.122 2.410 -0.581) 10.421 2.092 ( 5.341 -4.504 0.422) 6.999 2.092 ( 5.341 4.504 0.422) 6.999 2.158 ( 0.399 -1.461 2.900) 3.272 2.158 ( 0.399 1.461 2.900) 3.272 2.379 ( 0.067 -6.525 -1.445) 6.683 2.379 ( 0.067 6.525 -1.445) 6.683 2.509 ( -0.384 -2.937 -0.557) 3.013 2.509 ( -0.384 2.937 -0.557) 3.013 2.646 ( 0.664 -1.129 4.628) 4.810 2.646 ( 0.664 1.129 4.628) 4.810 2.751 ( -4.165 -6.287 -0.332) 7.548 2.751 ( -4.165 6.287 -0.332) 7.548 2.922 ( 2.940 -1.843 3.259) 4.760 2.922 ( 2.940 1.843 3.259) 4.760 2.954 ( -4.301 -2.723 -1.207) 5.231 2.954 ( -4.301 2.723 -1.207) 5.231 3.040 ( 4.320 -0.316 -3.370) 5.488 3.040 ( 4.320 0.316 -3.370) 5.488 3.241 ( -1.357 -0.766 1.066) 1.888 3.241 ( -1.357 0.766 1.066) 1.888 3.360 ( -1.244 -1.770 4.858) 5.318 3.360 ( -1.244 1.770 4.858) 5.318 3.546 ( -0.861 -5.474 2.240) 5.977 3.546 ( -0.861 5.474 2.240) 5.977 3.722 ( 0.718 -2.445 -0.627) 2.624 3.722 ( 0.718 2.445 -0.627) 2.624 3.984 ( -7.187 -1.502 -1.213) 7.442 3.984 ( -7.187 1.502 -1.213) 7.442 4.120 ( 0.265 -2.566 -2.520) 3.606 4.120 ( 0.265 2.566 -2.520) 3.606 4.274 ( -2.185 -2.689 0.586) 3.514 4.274 ( -2.185 2.689 0.586) 3.514 6.406 ( -0.350 -0.047 0.441) 0.566 6.406 ( -0.350 0.047 0.441) 0.566 6.421 ( -0.357 -0.307 0.213) 0.517 6.421 ( -0.357 0.307 0.213) 0.517 6.817 ( -0.941 -0.368 0.249) 1.041 6.817 ( -0.941 0.368 0.249) 1.041 6.906 ( 1.048 -1.318 -1.813) 2.474 6.906 ( 1.048 1.318 -1.813) 2.474 7.134 ( 0.515 -1.079 -0.279) 1.227 7.134 ( 0.515 1.079 -0.279) 1.227 7.205 ( -0.964 -0.498 1.392) 1.765 7.205 ( -0.964 0.498 1.392) 1.765 7.865 ( -0.099 -1.187 0.381) 1.251 7.865 ( -0.099 1.187 0.381) 1.251 7.908 ( -0.672 -0.611 -0.196) 0.929 7.908 ( -0.672 0.611 -0.196) 0.929 8.145 ( -2.264 -0.084 -0.504) 2.321 8.145 ( -2.264 0.084 -0.504) 2.321 8.243 ( -1.815 -0.904 0.997) 2.259 8.243 ( -1.815 0.904 0.997) 2.259 8.833 ( -0.228 -0.312 -0.020) 0.387 8.833 ( -0.228 0.312 -0.020) 0.387 8.875 ( -0.457 -0.370 -0.377) 0.698 8.875 ( -0.457 0.370 -0.377) 0.698 8.909 ( 0.653 -0.697 0.568) 1.112 8.909 ( 0.653 0.697 0.568) 1.112 8.965 ( 1.199 -0.912 -0.621) 1.629 8.965 ( 1.199 0.912 -0.621) 1.629 9.922 ( 0.151 -0.251 0.395) 0.492 9.922 ( 0.151 0.251 0.395) 0.492 9.962 ( 0.632 -0.062 -0.928) 1.125 9.962 ( 0.632 0.062 -0.928) 1.125 11.417 ( -0.361 -0.052 -0.082) 0.374 11.417 ( -0.361 0.052 -0.082) 0.374 11.463 ( -0.454 -0.626 0.604) 0.982 11.463 ( -0.454 0.626 0.604) 0.982 12.311 ( -0.256 -0.300 0.155) 0.423 12.311 ( -0.256 0.300 0.155) 0.423 12.341 ( 0.266 -0.616 -0.401) 0.782 12.341 ( 0.266 0.616 -0.401) 0.782 12.414 ( 1.317 -0.496 0.246) 1.429 12.414 ( 1.317 0.496 0.246) 1.429 12.444 ( 0.549 -0.797 0.147) 0.979 12.444 ( 0.549 0.797 0.147) 0.979 12.713 ( 0.902 -0.362 1.744) 1.997 12.713 ( 0.902 0.362 1.744) 1.997 12.757 ( -1.152 -0.330 -1.524) 1.938 12.757 ( -1.152 0.330 -1.524) 1.938 13.125 ( 0.267 -0.654 -0.037) 0.707 13.125 ( 0.267 0.654 -0.037) 0.707 13.149 ( 0.629 -0.296 -0.299) 0.757 13.149 ( 0.629 0.296 -0.299) 0.757 13.418 ( 0.297 -0.774 -0.319) 0.888 13.418 ( 0.297 0.774 -0.319) 0.888 13.505 ( 0.351 -0.526 0.257) 0.683 13.505 ( 0.351 0.526 0.257) 0.683 13.714 ( 0.570 -0.388 1.891) 2.012 13.714 ( 0.570 0.388 1.891) 2.012 13.767 ( -1.600 -0.592 -1.678) 2.393 13.767 ( -1.600 0.592 -1.678) 2.393 ======================= Grid point 79 (41/78) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 7.054 -4.292 8.763) 12.041 1.150 ( 7.054 4.292 8.763) 12.041 1.308 ( 4.762 -6.932 8.195) 11.743 1.308 ( 4.762 6.932 8.195) 11.743 1.467 ( -0.065 -0.391 -9.600) 9.608 1.467 ( -0.065 0.391 -9.600) 9.608 1.638 ( 3.967 -7.450 -8.000) 11.629 1.638 ( 3.967 7.450 -8.000) 11.629 1.932 ( 8.151 -5.691 -1.100) 10.002 1.932 ( 8.151 5.691 -1.100) 10.002 2.090 ( -1.737 -4.625 -4.143) 6.448 2.090 ( -1.737 4.625 -4.143) 6.448 2.238 ( 2.332 -4.732 5.559) 7.664 2.238 ( 2.332 4.732 5.559) 7.664 2.371 ( 1.561 -5.243 -3.736) 6.624 2.371 ( 1.561 5.243 -3.736) 6.624 2.536 ( 1.500 -3.314 3.289) 4.904 2.536 ( 1.500 3.314 3.289) 4.904 2.642 ( -2.996 -7.216 -3.672) 8.633 2.642 ( -2.996 7.216 -3.672) 8.633 2.737 ( -1.040 -2.729 5.575) 6.293 2.737 ( -1.040 2.729 5.575) 6.293 2.853 ( -4.888 -3.388 -1.118) 6.051 2.853 ( -4.888 3.388 -1.118) 6.051 2.989 ( 2.361 -5.418 -0.899) 5.978 2.989 ( 2.361 5.418 -0.899) 5.978 3.132 ( 8.221 -3.995 1.687) 9.295 3.132 ( 8.221 3.995 1.687) 9.295 3.248 ( 0.110 -6.766 2.213) 7.119 3.248 ( 0.110 6.766 2.213) 7.119 3.378 ( -2.054 -1.172 3.483) 4.210 3.378 ( -2.054 1.172 3.483) 4.210 3.543 ( -1.148 -5.650 0.353) 5.776 3.543 ( -1.148 5.650 0.353) 5.776 3.667 ( -4.111 -3.363 -3.950) 6.619 3.667 ( -4.111 3.363 -3.950) 6.619 3.879 ( -5.768 -1.402 1.935) 6.243 3.879 ( -5.768 1.402 1.935) 6.243 4.084 ( -1.119 -4.018 -2.567) 4.897 4.084 ( -1.119 4.018 -2.567) 4.897 4.263 ( -1.274 -1.347 2.283) 2.941 4.263 ( -1.274 1.347 2.283) 2.941 6.402 ( -0.557 -0.235 0.343) 0.695 6.402 ( -0.557 0.235 0.343) 0.695 6.413 ( -0.798 -0.294 -0.033) 0.851 6.413 ( -0.798 0.294 -0.033) 0.851 6.807 ( -0.687 -0.833 0.304) 1.121 6.807 ( -0.687 0.833 0.304) 1.121 6.899 ( 0.262 -1.156 -1.474) 1.891 6.899 ( 0.262 1.156 -1.474) 1.891 7.137 ( 0.164 -1.022 -0.140) 1.045 7.137 ( 0.164 1.022 -0.140) 1.045 7.213 ( 0.228 -0.781 1.089) 1.359 7.213 ( 0.228 0.781 1.089) 1.359 7.853 ( -2.403 -1.037 0.052) 2.618 7.853 ( -2.403 1.037 0.052) 2.618 7.886 ( -1.243 -0.617 -0.494) 1.473 7.886 ( -1.243 0.617 -0.494) 1.473 8.099 ( -2.803 -0.315 -0.030) 2.821 8.099 ( -2.803 0.315 -0.030) 2.821 8.215 ( -2.434 -1.349 0.751) 2.882 8.215 ( -2.434 1.349 0.751) 2.882 8.828 ( -0.362 -0.751 -0.019) 0.834 8.828 ( -0.362 0.751 -0.019) 0.834 8.864 ( -0.474 -0.397 -0.176) 0.643 8.864 ( -0.474 0.397 -0.176) 0.643 8.930 ( 1.166 -0.772 0.577) 1.513 8.930 ( 1.166 0.772 0.577) 1.513 8.983 ( 1.734 -0.592 -0.585) 1.923 8.983 ( 1.734 0.592 -0.585) 1.923 9.928 ( 0.238 -0.603 0.225) 0.686 9.928 ( 0.238 0.603 0.225) 0.686 9.972 ( 1.295 -0.440 -0.335) 1.408 9.972 ( 1.295 0.440 -0.335) 1.408 11.409 ( -0.538 -0.209 0.008) 0.577 11.409 ( -0.538 0.209 0.008) 0.577 11.461 ( -0.586 -0.591 0.510) 0.976 11.461 ( -0.586 0.591 0.510) 0.976 12.312 ( 0.003 -0.463 0.268) 0.535 12.312 ( 0.003 0.463 0.268) 0.535 12.342 ( 0.327 -0.786 -0.223) 0.880 12.342 ( 0.327 0.786 -0.223) 0.880 12.436 ( 1.421 -1.052 -0.080) 1.770 12.436 ( 1.421 1.052 -0.080) 1.770 12.466 ( 1.635 -0.704 0.361) 1.816 12.466 ( 1.635 0.704 0.361) 1.816 12.714 ( -1.200 -0.427 -1.546) 2.003 12.714 ( -1.200 0.427 -1.546) 2.003 12.754 ( 0.904 -0.296 1.750) 1.992 12.754 ( 0.904 0.296 1.750) 1.992 13.132 ( 0.507 -0.539 0.098) 0.746 13.132 ( 0.507 0.539 0.098) 0.746 13.157 ( 0.596 -0.222 -0.210) 0.670 13.157 ( 0.596 0.222 -0.210) 0.670 13.425 ( 0.802 -0.342 -0.172) 0.889 13.425 ( 0.802 0.342 -0.172) 0.889 13.515 ( 0.671 -0.153 0.201) 0.717 13.515 ( 0.671 0.153 0.201) 0.717 13.715 ( -1.764 -0.315 -1.503) 2.339 13.715 ( -1.764 0.315 -1.503) 2.339 13.742 ( -0.096 -0.181 1.413) 1.428 13.742 ( -0.096 0.181 1.413) 1.428 ======================= Grid point 81 (42/78) ======================= q-point: ( 0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( -0.249 -0.292 -5.249) 5.263 1.209 ( -0.249 0.292 -5.249) 5.263 1.380 ( 2.692 -2.183 7.054) 7.859 1.380 ( 2.692 2.183 7.054) 7.859 1.536 ( 6.554 -2.222 -1.266) 7.035 1.536 ( 6.554 2.222 -1.266) 7.035 1.744 ( 11.837 -1.887 2.569) 12.259 1.744 ( 11.837 1.887 2.569) 12.259 1.946 ( -2.268 -0.766 -2.340) 3.348 1.946 ( -2.268 0.766 -2.340) 3.348 2.092 ( 2.756 -3.113 1.105) 4.301 2.092 ( 2.756 3.113 1.105) 4.301 2.263 ( -4.711 -3.261 2.300) 6.174 2.263 ( -4.711 3.261 2.300) 6.174 2.374 ( 4.359 -0.165 -2.392) 4.975 2.374 ( 4.359 0.165 -2.392) 4.975 2.494 ( -7.714 -4.587 -1.639) 9.124 2.494 ( -7.714 4.587 -1.639) 9.124 2.643 ( 4.429 -3.479 0.364) 5.644 2.643 ( 4.429 3.479 0.364) 5.644 2.720 ( -3.401 -4.863 -0.793) 5.987 2.720 ( -3.401 4.863 -0.793) 5.987 2.824 ( -0.058 -2.729 1.708) 3.220 2.824 ( -0.058 2.729 1.708) 3.220 3.007 ( 3.293 -5.429 -2.982) 7.015 3.007 ( 3.293 5.429 -2.982) 7.015 3.225 ( -1.312 -4.534 -0.133) 4.722 3.225 ( -1.312 4.534 -0.133) 4.722 3.304 ( 3.246 -3.586 2.441) 5.417 3.304 ( 3.246 3.586 2.441) 5.417 3.367 ( -0.768 -3.637 -0.316) 3.731 3.367 ( -0.768 3.637 -0.316) 3.731 3.520 ( -0.056 -3.613 -2.408) 4.342 3.520 ( -0.056 3.613 -2.408) 4.342 3.588 ( -1.879 -1.998 1.902) 3.338 3.588 ( -1.879 1.998 1.902) 3.338 3.823 ( -3.736 -1.242 1.156) 4.104 3.823 ( -3.736 1.242 1.156) 4.104 4.044 ( -0.881 -4.387 -1.472) 4.711 4.044 ( -0.881 4.387 -1.472) 4.711 4.271 ( -0.960 -0.879 2.249) 2.599 4.271 ( -0.960 0.879 2.249) 2.599 6.393 ( -0.739 -0.337 -0.283) 0.860 6.393 ( -0.739 0.337 -0.283) 0.860 6.401 ( -0.731 -0.326 0.406) 0.897 6.401 ( -0.731 0.326 0.406) 0.897 6.800 ( -0.508 -0.824 0.208) 0.990 6.800 ( -0.508 0.824 0.208) 0.990 6.887 ( -0.103 -0.930 -0.771) 1.212 6.887 ( -0.103 0.930 -0.771) 1.212 7.139 ( 0.033 -1.238 0.147) 1.248 7.139 ( 0.033 1.238 0.147) 1.248 7.230 ( 0.772 -1.065 0.358) 1.363 7.230 ( 0.772 1.065 0.358) 1.363 7.792 ( -4.289 -0.405 -0.384) 4.325 7.792 ( -4.289 0.405 -0.384) 4.325 7.855 ( -2.448 -1.741 -0.255) 3.015 7.855 ( -2.448 1.741 -0.255) 3.015 8.063 ( -1.774 -1.006 0.192) 2.048 8.063 ( -1.774 1.006 0.192) 2.048 8.189 ( -1.472 -1.762 0.391) 2.329 8.189 ( -1.472 1.762 0.391) 2.329 8.821 ( -0.421 -1.184 -0.152) 1.266 8.821 ( -0.421 1.184 -0.152) 1.266 8.857 ( -0.310 -0.732 -0.024) 0.795 8.857 ( -0.310 0.732 -0.024) 0.795 8.956 ( 1.192 -0.637 0.588) 1.474 8.956 ( 1.192 0.637 0.588) 1.474 9.005 ( 1.669 -0.056 -0.544) 1.756 9.005 ( 1.669 0.056 -0.544) 1.756 9.935 ( 0.360 -0.776 0.047) 0.857 9.935 ( 0.360 0.776 0.047) 0.857 9.992 ( 1.226 -0.197 0.192) 1.256 9.992 ( 1.226 0.197 0.192) 1.256 11.400 ( -0.552 -0.441 0.033) 0.708 11.400 ( -0.552 0.441 0.033) 0.708 11.455 ( -0.588 -0.477 0.329) 0.826 11.455 ( -0.588 0.477 0.329) 0.826 12.315 ( -0.044 -0.877 0.300) 0.928 12.315 ( -0.044 0.877 0.300) 0.928 12.347 ( 0.412 -0.836 -0.102) 0.938 12.347 ( 0.412 0.836 -0.102) 0.938 12.459 ( 1.365 -1.216 0.081) 1.830 12.459 ( 1.365 1.216 0.081) 1.830 12.496 ( 1.691 -0.577 0.175) 1.796 12.496 ( 1.691 0.577 0.175) 1.796 12.681 ( -0.878 -0.607 -1.119) 1.546 12.681 ( -0.878 0.607 -1.119) 1.546 12.783 ( 0.594 -0.288 1.238) 1.403 12.783 ( 0.594 0.288 1.238) 1.403 13.142 ( 0.462 -0.367 0.333) 0.677 13.142 ( 0.462 0.367 0.333) 0.677 13.161 ( 0.085 -0.206 -0.242) 0.329 13.161 ( 0.085 0.206 -0.242) 0.329 13.438 ( 0.918 -0.345 -0.066) 0.983 13.438 ( 0.918 0.345 -0.066) 0.983 13.530 ( 0.920 -0.578 0.059) 1.089 13.530 ( 0.920 0.578 0.059) 1.089 13.675 ( -1.195 -0.304 -1.003) 1.590 13.675 ( -1.195 0.304 -1.003) 1.590 13.750 ( -0.612 -0.434 0.896) 1.168 13.750 ( -0.612 0.434 0.896) 1.168 ======================= Grid point 83 (43/78) ======================= q-point: ( 0.40 -0.50 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 1.333 -0.951 3.661) 4.010 1.211 ( 1.333 0.951 3.661) 4.010 1.471 ( 1.088 -4.819 3.910) 6.301 1.471 ( 1.088 4.819 3.910) 6.301 1.629 ( 8.459 -1.436 -1.573) 8.723 1.629 ( 8.459 1.436 -1.573) 8.723 1.877 ( -0.557 -5.796 2.675) 6.408 1.877 ( -0.557 5.796 2.675) 6.408 1.978 ( 4.652 -2.509 1.570) 5.514 1.978 ( 4.652 2.509 1.570) 5.514 2.122 ( -1.142 -6.057 2.978) 6.846 2.122 ( -1.142 6.057 2.978) 6.846 2.184 ( -5.697 -6.505 2.433) 8.983 2.184 ( -5.697 6.505 2.433) 8.983 2.361 ( -3.247 -1.676 -2.601) 4.485 2.361 ( -3.247 1.676 -2.601) 4.485 2.441 ( 1.743 -3.189 -0.164) 3.638 2.441 ( 1.743 3.189 -0.164) 3.638 2.638 ( -1.183 -5.815 -2.276) 6.356 2.638 ( -1.183 5.815 -2.276) 6.356 2.716 ( 3.171 -3.492 -1.447) 4.934 2.716 ( 3.171 3.492 -1.447) 4.934 2.831 ( 0.118 -3.323 -0.660) 3.390 2.831 ( 0.118 3.323 -0.660) 3.390 3.056 ( 4.926 -8.643 -0.326) 9.953 3.056 ( 4.926 8.643 -0.326) 9.953 3.146 ( -6.219 -1.119 0.066) 6.319 3.146 ( -6.219 1.119 0.066) 6.319 3.298 ( -2.056 -3.426 -2.612) 4.774 3.298 ( -2.056 3.426 -2.612) 4.774 3.365 ( 1.059 -2.055 -2.309) 3.267 3.365 ( 1.059 2.055 -2.309) 3.267 3.510 ( 2.016 -1.670 -3.158) 4.102 3.510 ( 2.016 1.670 -3.158) 4.102 3.638 ( 1.794 -3.797 3.751) 5.631 3.638 ( 1.794 3.797 3.751) 5.631 3.776 ( -2.905 -0.131 -0.127) 2.910 3.776 ( -2.905 0.131 -0.127) 2.910 4.031 ( 0.300 -4.047 -0.080) 4.059 4.031 ( 0.300 4.047 -0.080) 4.059 4.275 ( -1.141 -0.488 1.583) 2.012 4.275 ( -1.141 0.488 1.583) 2.012 6.379 ( -0.451 -0.436 -0.284) 0.688 6.379 ( -0.451 0.436 -0.284) 0.688 6.396 ( -0.498 -0.434 0.405) 0.775 6.396 ( -0.498 0.434 0.405) 0.775 6.796 ( -0.249 -0.708 0.204) 0.778 6.796 ( -0.249 0.708 0.204) 0.778 6.881 ( -0.015 -0.940 -0.198) 0.960 6.881 ( -0.015 0.940 -0.198) 0.960 7.141 ( -0.142 -1.128 0.300) 1.176 7.141 ( -0.142 1.128 0.300) 1.176 7.240 ( 0.544 -1.257 -0.525) 1.466 7.240 ( 0.544 1.257 -0.525) 1.466 7.729 ( -2.936 -0.584 0.105) 2.996 7.729 ( -2.936 0.584 0.105) 2.996 7.809 ( -2.436 -2.710 -0.311) 3.658 7.809 ( -2.436 2.710 -0.311) 3.658 8.045 ( -0.713 -1.264 0.164) 1.460 8.045 ( -0.713 1.264 0.164) 1.460 8.176 ( -0.564 -1.595 -0.045) 1.693 8.176 ( -0.564 1.595 -0.045) 1.693 8.813 ( -0.249 -1.299 -0.335) 1.365 8.813 ( -0.249 1.299 -0.335) 1.365 8.853 ( -0.171 -1.020 -0.085) 1.038 8.853 ( -0.171 1.020 -0.085) 1.038 8.977 ( 0.621 -0.278 0.624) 0.923 8.977 ( 0.621 0.278 0.624) 0.923 9.023 ( 1.151 -0.403 -0.446) 1.298 9.023 ( 1.151 0.403 -0.446) 1.298 9.939 ( 0.239 -0.880 -0.090) 0.917 9.939 ( 0.239 0.880 -0.090) 0.917 10.011 ( 0.658 -0.561 0.385) 0.946 10.011 ( 0.658 0.561 0.385) 0.946 11.393 ( -0.360 -0.535 0.024) 0.646 11.393 ( -0.360 0.535 0.024) 0.646 11.449 ( -0.452 -0.440 0.132) 0.644 11.449 ( -0.452 0.440 0.132) 0.644 12.317 ( -0.130 -1.198 0.310) 1.245 12.317 ( -0.130 1.198 0.310) 1.245 12.351 ( 0.284 -0.831 -0.180) 0.897 12.351 ( 0.284 0.831 -0.180) 0.897 12.479 ( 0.794 -1.178 0.340) 1.461 12.479 ( 0.794 1.178 0.340) 1.461 12.520 ( 1.073 -0.578 -0.014) 1.219 12.520 ( 1.073 0.578 -0.014) 1.219 12.667 ( -0.093 -0.638 -0.062) 0.648 12.667 ( -0.093 0.638 -0.062) 0.648 12.795 ( -0.096 -0.299 0.112) 0.334 12.795 ( -0.096 0.299 0.112) 0.334 13.152 ( 0.103 -0.143 0.415) 0.451 13.152 ( 0.103 0.143 0.415) 0.451 13.156 ( -0.094 -0.155 -0.178) 0.254 13.156 ( -0.094 0.155 -0.178) 0.254 13.452 ( 0.707 -0.628 0.360) 1.011 13.452 ( 0.707 0.628 0.360) 1.011 13.541 ( 0.610 -1.046 -0.454) 1.293 13.541 ( 0.610 1.046 -0.454) 1.293 13.660 ( -0.214 -0.689 0.099) 0.729 13.660 ( -0.214 0.689 0.099) 0.729 13.743 ( -0.787 -0.403 0.108) 0.891 13.743 ( -0.787 0.403 0.108) 0.891 ======================= Grid point 85 (44/78) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( -1.512 -2.957 7.376) 8.089 1.276 ( -1.512 2.957 7.376) 8.089 1.522 ( 0.450 -0.968 4.549) 4.673 1.522 ( 0.450 0.968 4.549) 4.673 1.775 ( 2.988 -3.717 4.101) 6.290 1.775 ( 2.988 3.717 4.101) 6.290 1.865 ( -1.659 -5.325 -0.209) 5.581 1.865 ( -1.659 5.325 -0.209) 5.581 1.964 ( -0.884 -5.624 -0.156) 5.696 1.964 ( -0.884 5.624 -0.156) 5.696 2.118 ( -2.015 -10.357 -0.767) 10.579 2.118 ( -2.015 10.357 -0.767) 10.579 2.179 ( -3.763 -2.478 8.586) 9.696 2.179 ( -3.763 2.478 8.586) 9.696 2.338 ( 3.334 -1.909 -4.347) 5.801 2.338 ( 3.334 1.909 -4.347) 5.801 2.428 ( -0.558 -4.081 0.839) 4.203 2.428 ( -0.558 4.081 0.839) 4.203 2.612 ( 0.383 -5.810 -3.900) 7.008 2.612 ( 0.383 5.810 -3.900) 7.008 2.750 ( 1.879 -2.330 -1.630) 3.408 2.750 ( 1.879 2.330 -1.630) 3.408 2.846 ( 2.565 -3.641 0.462) 4.478 2.846 ( 2.565 3.641 0.462) 4.478 3.047 ( -3.674 -2.847 -0.398) 4.665 3.047 ( -3.674 2.847 -0.398) 4.665 3.117 ( -0.104 -7.788 1.185) 7.878 3.117 ( -0.104 7.788 1.185) 7.878 3.279 ( 3.147 -5.693 -4.354) 7.828 3.279 ( 3.147 5.693 -4.354) 7.828 3.353 ( 3.033 -1.318 -1.803) 3.766 3.353 ( 3.033 1.318 -1.803) 3.766 3.498 ( -0.443 -0.464 -2.643) 2.720 3.498 ( -0.443 0.464 -2.643) 2.720 3.611 ( -6.555 -4.910 -2.163) 8.471 3.611 ( -6.555 4.910 -2.163) 8.471 3.774 ( 2.017 -1.580 1.324) 2.884 3.774 ( 2.017 1.580 1.324) 2.884 4.047 ( 1.009 -4.078 0.664) 4.254 4.047 ( 1.009 4.078 0.664) 4.254 4.268 ( -1.541 -0.036 1.194) 1.950 4.268 ( -1.541 0.036 1.194) 1.950 6.374 ( 0.120 -0.133 -0.237) 0.297 6.374 ( 0.120 0.133 -0.237) 0.297 6.394 ( -0.203 -0.273 0.373) 0.504 6.394 ( -0.203 0.273 0.373) 0.504 6.797 ( -0.026 -0.770 0.366) 0.853 6.797 ( -0.026 0.770 0.366) 0.853 6.883 ( 0.417 -1.067 0.078) 1.148 6.883 ( 0.417 1.067 0.078) 1.148 7.140 ( -0.296 -0.634 0.295) 0.760 7.140 ( -0.296 0.634 0.295) 0.760 7.235 ( -0.019 -1.292 -1.165) 1.740 7.235 ( -0.019 1.292 -1.165) 1.740 7.712 ( 0.385 -0.723 0.717) 1.088 7.712 ( 0.385 0.723 0.717) 1.088 7.783 ( -0.047 -2.654 -0.552) 2.711 7.783 ( -0.047 2.654 -0.552) 2.711 8.042 ( 0.101 -1.409 0.238) 1.433 8.042 ( 0.101 1.409 0.238) 1.433 8.166 ( -0.418 -1.181 -0.399) 1.315 8.166 ( -0.418 1.181 -0.399) 1.315 8.807 ( 0.097 -1.056 -0.485) 1.166 8.807 ( 0.097 1.056 -0.485) 1.166 8.850 ( 0.002 -0.928 -0.175) 0.944 8.850 ( 0.002 0.928 -0.175) 0.944 8.986 ( -0.332 -0.310 0.667) 0.807 8.986 ( -0.332 0.310 0.667) 0.807 9.031 ( 0.347 -0.529 -0.334) 0.716 9.031 ( 0.347 0.529 -0.334) 0.716 9.940 ( -0.048 -0.823 -0.154) 0.838 9.940 ( -0.048 0.823 -0.154) 0.838 10.020 ( -0.094 -0.862 0.406) 0.958 10.020 ( -0.094 0.862 0.406) 0.958 11.390 ( -0.014 -0.424 0.016) 0.424 11.390 ( -0.014 0.424 0.016) 0.424 11.445 ( -0.220 -0.507 0.005) 0.553 11.445 ( -0.220 0.507 0.005) 0.553 12.318 ( -0.155 -1.263 0.381) 1.328 12.318 ( -0.155 1.263 0.381) 1.328 12.351 ( 0.013 -0.851 -0.350) 0.920 12.351 ( 0.013 0.851 -0.350) 0.920 12.489 ( -0.138 -1.018 0.481) 1.134 12.489 ( -0.138 1.018 0.481) 1.134 12.528 ( 0.008 -0.700 -0.080) 0.705 12.528 ( 0.008 0.700 -0.080) 0.705 12.678 ( 0.767 -0.549 1.017) 1.387 12.678 ( 0.767 0.549 1.017) 1.387 12.782 ( -0.828 -0.374 -0.992) 1.345 12.782 ( -0.828 0.374 -0.992) 1.345 13.148 ( -0.312 -0.157 -0.087) 0.360 13.148 ( -0.312 0.157 -0.087) 0.360 13.163 ( 0.228 -0.125 0.397) 0.475 13.163 ( 0.228 0.125 0.397) 0.475 13.467 ( 0.143 -0.349 0.910) 0.985 13.467 ( 0.143 0.349 0.910) 0.985 13.538 ( -0.039 -0.965 -0.860) 1.293 13.538 ( -0.039 0.965 -0.860) 1.293 13.666 ( 0.395 -0.860 0.683) 1.167 13.666 ( 0.395 0.860 0.683) 1.167 13.732 ( -0.407 -0.236 -0.396) 0.615 13.732 ( -0.407 0.236 -0.396) 0.615 ======================= Grid point 87 (45/78) ======================= q-point: (-0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -5.340 -3.149 6.061) 8.670 1.297 ( -5.340 3.149 6.061) 8.670 1.581 ( -7.856 -7.187 2.468) 10.930 1.581 ( -7.856 7.187 2.468) 10.930 1.645 ( -4.253 -0.299 3.244) 5.357 1.645 ( -4.253 0.299 3.244) 5.357 1.877 ( -3.783 -3.406 2.026) 5.479 1.877 ( -3.783 3.406 2.026) 5.479 2.064 ( 5.017 -6.840 5.200) 9.950 2.064 ( 5.017 6.840 5.200) 9.950 2.116 ( 2.269 -4.594 -0.317) 5.133 2.116 ( 2.269 4.594 -0.317) 5.133 2.189 ( -2.979 -3.214 5.363) 6.926 2.189 ( -2.979 3.214 5.363) 6.926 2.331 ( 4.040 -4.328 -6.575) 8.849 2.331 ( 4.040 4.328 -6.575) 8.849 2.481 ( 2.131 -4.472 2.429) 5.517 2.481 ( 2.131 4.472 2.429) 5.517 2.563 ( 1.002 -2.149 -4.307) 4.916 2.563 ( 1.002 2.149 -4.307) 4.916 2.722 ( -3.224 -0.957 -0.123) 3.366 2.722 ( -3.224 0.957 -0.123) 3.366 2.884 ( 0.592 -1.197 0.716) 1.515 2.884 ( 0.592 1.197 0.716) 1.515 3.029 ( 0.531 -2.777 -1.333) 3.126 3.029 ( 0.531 2.777 -1.333) 3.126 3.128 ( 0.728 -3.475 0.311) 3.564 3.128 ( 0.728 3.475 0.311) 3.564 3.231 ( -0.948 -3.468 -6.314) 7.266 3.231 ( -0.948 3.468 -6.314) 7.266 3.354 ( -6.227 -8.722 -5.775) 12.174 3.354 ( -6.227 8.722 -5.775) 12.174 3.433 ( 1.014 -0.978 -2.131) 2.554 3.433 ( 1.014 0.978 -2.131) 2.554 3.578 ( 5.029 -2.050 3.942) 6.710 3.578 ( 5.029 2.050 3.942) 6.710 3.808 ( 0.454 -1.230 0.421) 1.377 3.808 ( 0.454 1.230 0.421) 1.377 4.073 ( 1.563 -4.276 0.218) 4.558 4.073 ( 1.563 4.276 0.218) 4.558 4.254 ( -1.774 -0.427 1.414) 2.309 4.254 ( -1.774 0.427 1.414) 2.309 6.375 ( 0.365 -0.279 -0.328) 0.564 6.375 ( 0.365 0.279 -0.328) 0.564 6.399 ( 0.348 -0.100 0.414) 0.550 6.399 ( 0.348 0.100 0.414) 0.550 6.800 ( -0.097 -1.062 0.262) 1.098 6.800 ( -0.097 1.062 0.262) 1.098 6.896 ( 1.014 -1.188 0.139) 1.568 6.896 ( 1.014 1.188 0.139) 1.568 7.139 ( -0.137 -0.238 0.352) 0.446 7.139 ( -0.137 0.238 0.352) 0.446 7.217 ( -0.602 -1.178 -1.127) 1.738 7.217 ( -0.602 1.178 -1.127) 1.738 7.752 ( 3.205 -0.703 0.791) 3.375 7.752 ( 3.205 0.703 0.791) 3.375 7.798 ( 2.663 -1.691 -0.722) 3.236 7.798 ( 2.663 1.691 -0.722) 3.236 8.054 ( 0.984 -1.133 0.479) 1.575 8.054 ( 0.984 1.133 0.479) 1.575 8.154 ( -0.352 -0.880 -0.605) 1.124 8.154 ( -0.352 0.880 -0.605) 1.124 8.806 ( 0.443 -0.684 -0.517) 0.965 8.806 ( 0.443 0.684 -0.517) 0.965 8.851 ( 0.354 -0.439 -0.088) 0.571 8.851 ( 0.354 0.439 -0.088) 0.571 8.980 ( -1.330 -0.670 0.656) 1.627 8.980 ( -1.330 0.670 0.656) 1.627 9.026 ( -0.512 -0.389 -0.324) 0.720 9.026 ( -0.512 0.389 -0.324) 0.720 9.935 ( -0.303 -0.588 -0.109) 0.671 9.935 ( -0.303 0.588 -0.109) 0.671 10.017 ( -0.696 -0.603 0.443) 1.022 10.017 ( -0.696 0.603 0.443) 1.022 11.393 ( 0.348 -0.283 0.024) 0.449 11.393 ( 0.348 0.283 0.024) 0.449 11.443 ( 0.012 -0.524 0.004) 0.524 11.443 ( 0.012 0.524 0.004) 0.524 12.320 ( -0.228 -1.088 0.475) 1.209 12.320 ( -0.228 1.088 0.475) 1.209 12.346 ( -0.070 -0.894 -0.392) 0.978 12.346 ( -0.070 0.894 -0.392) 0.978 12.484 ( -1.068 -0.732 0.438) 1.367 12.484 ( -1.068 0.732 0.438) 1.367 12.518 ( -1.123 -0.798 -0.034) 1.378 12.518 ( -1.123 0.798 -0.034) 1.378 12.707 ( 1.019 -0.319 1.197) 1.604 12.707 ( 1.019 0.319 1.197) 1.604 12.753 ( -1.011 -0.367 -1.199) 1.610 12.753 ( -1.011 0.367 -1.199) 1.610 13.144 ( -0.175 -0.250 0.103) 0.322 13.144 ( -0.175 0.250 0.103) 0.322 13.168 ( 0.056 -0.132 0.222) 0.264 13.168 ( 0.056 0.132 0.222) 0.264 13.469 ( -1.126 -0.541 0.677) 1.420 13.469 ( -1.126 0.541 0.677) 1.420 13.527 ( -0.207 -0.184 -0.586) 0.648 13.527 ( -0.207 0.184 -0.586) 0.648 13.685 ( 0.980 -0.722 0.439) 1.294 13.685 ( 0.980 0.722 0.439) 1.294 13.724 ( 0.014 -0.303 -0.274) 0.409 13.724 ( 0.014 0.303 -0.274) 0.409 ======================= Grid point 89 (46/78) ======================= q-point: (-0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -11.070 -3.392 2.472) 11.839 1.218 ( -11.070 3.392 2.472) 11.839 1.331 ( -15.883 -3.477 1.430) 16.322 1.331 ( -15.883 3.477 1.430) 16.322 1.760 ( 2.123 -5.776 4.094) 7.391 1.760 ( 2.123 5.776 4.094) 7.391 1.841 ( -2.178 -1.213 1.899) 3.134 1.841 ( -2.178 1.213 1.899) 3.134 2.071 ( -3.078 -2.200 -4.665) 6.006 2.071 ( -3.078 2.200 -4.665) 6.006 2.132 ( -2.156 -2.178 5.093) 5.944 2.132 ( -2.156 2.178 5.093) 5.944 2.211 ( -0.268 -3.949 2.330) 4.593 2.211 ( -0.268 3.949 2.330) 4.593 2.395 ( 5.777 -4.144 -2.219) 7.448 2.395 ( 5.777 4.144 -2.219) 7.448 2.473 ( -0.323 -2.276 -1.826) 2.936 2.473 ( -0.323 2.276 -1.826) 2.936 2.605 ( 4.664 -4.526 0.862) 6.556 2.605 ( 4.664 4.526 0.862) 6.556 2.673 ( -4.511 -2.707 1.662) 5.517 2.673 ( -4.511 2.707 1.662) 5.517 2.841 ( -4.246 -3.182 -4.168) 6.747 2.841 ( -4.246 3.182 -4.168) 6.747 2.986 ( -1.096 -0.839 -2.033) 2.457 2.986 ( -1.096 0.839 -2.033) 2.457 3.118 ( 0.365 -2.079 -3.562) 4.140 3.118 ( 0.365 2.079 -3.562) 4.140 3.164 ( -1.506 -9.174 0.964) 9.347 3.164 ( -1.506 9.174 0.964) 9.347 3.278 ( 1.181 -2.762 -2.067) 3.646 3.278 ( 1.181 2.762 -2.067) 3.646 3.428 ( 1.741 -2.730 -1.792) 3.701 3.428 ( 1.741 2.730 -1.792) 3.701 3.754 ( 7.968 -2.229 5.023) 9.679 3.754 ( 7.968 2.229 5.023) 9.679 3.799 ( -0.408 -1.897 -0.373) 1.976 3.799 ( -0.408 1.897 -0.373) 1.976 4.098 ( 2.174 -3.212 -1.317) 4.096 4.098 ( 2.174 3.212 -1.317) 4.096 4.247 ( -1.127 -1.853 2.160) 3.061 4.247 ( -1.127 1.853 2.160) 3.061 6.380 ( 0.633 -0.289 -0.208) 0.727 6.380 ( 0.633 0.289 -0.208) 0.727 6.409 ( 0.340 -0.107 0.189) 0.403 6.409 ( 0.340 0.107 0.189) 0.403 6.800 ( 0.022 -1.259 0.023) 1.260 6.800 ( 0.022 1.259 0.023) 1.260 6.915 ( 1.147 -1.274 -0.204) 1.726 6.915 ( 1.147 1.274 -0.204) 1.726 7.141 ( 0.044 -0.405 -0.057) 0.411 7.141 ( 0.044 0.405 -0.057) 0.411 7.199 ( -0.822 -1.045 0.141) 1.338 7.199 ( -0.822 1.045 0.141) 1.338 7.812 ( 3.239 -0.559 0.021) 3.287 7.812 ( 3.239 0.559 0.021) 3.287 7.843 ( 3.345 -0.346 -0.522) 3.403 7.843 ( 3.345 0.346 -0.522) 3.403 8.088 ( 2.353 -0.424 1.030) 2.603 8.088 ( 2.353 0.424 1.030) 2.603 8.147 ( 0.570 -0.708 -0.734) 1.168 8.147 ( 0.570 0.708 -0.734) 1.168 8.810 ( 0.690 -0.460 -0.363) 0.906 8.810 ( 0.690 0.460 -0.363) 0.906 8.859 ( 0.712 -0.433 0.042) 0.834 8.859 ( 0.712 0.433 0.042) 0.834 8.960 ( -1.967 -0.842 0.589) 2.219 8.960 ( -1.967 0.842 0.589) 2.219 9.009 ( -1.061 -0.184 -0.397) 1.148 9.009 ( -1.061 0.184 -0.397) 1.148 9.928 ( -0.432 -0.273 -0.039) 0.512 9.928 ( -0.432 0.273 -0.039) 0.512 10.009 ( -0.960 -0.097 0.471) 1.074 10.009 ( -0.960 0.097 0.471) 1.074 11.401 ( 0.598 -0.273 0.043) 0.659 11.401 ( 0.598 0.273 0.043) 0.659 11.445 ( 0.156 -0.393 0.135) 0.444 11.445 ( 0.156 0.393 0.135) 0.444 12.320 ( -0.335 -0.764 0.503) 0.974 12.320 ( -0.335 0.764 0.503) 0.974 12.342 ( 0.078 -0.931 -0.280) 0.976 12.342 ( 0.078 0.931 -0.280) 0.976 12.464 ( -1.820 -0.478 0.136) 1.887 12.464 ( -1.820 0.478 0.136) 1.887 12.495 ( -1.704 -0.853 0.214) 1.918 12.495 ( -1.704 0.853 0.214) 1.918 12.704 ( -0.812 -0.465 -1.530) 1.794 12.704 ( -0.812 0.465 -1.530) 1.794 12.757 ( 0.906 -0.239 1.557) 1.818 12.757 ( 0.906 0.239 1.557) 1.818 13.143 ( -0.301 -0.490 0.267) 0.634 13.143 ( -0.301 0.490 0.267) 0.634 13.168 ( -0.254 -0.144 -0.014) 0.292 13.168 ( -0.254 0.144 -0.014) 0.292 13.450 ( -1.391 -0.963 0.202) 1.704 13.450 ( -1.391 0.963 0.202) 1.704 13.518 ( -0.564 -0.392 -0.230) 0.725 13.518 ( -0.564 0.392 -0.230) 0.725 13.690 ( 0.036 -0.502 -1.011) 1.129 13.690 ( 0.036 0.502 -1.011) 1.129 13.740 ( 1.554 -0.507 1.037) 1.936 13.740 ( 1.554 0.507 1.037) 1.936 ======================= Grid point 91 (47/78) ======================= q-point: (-0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -9.861 -9.185 1.188) 13.528 1.044 ( -9.861 9.185 1.188) 13.528 1.122 ( -15.222 -7.734 4.275) 17.601 1.122 ( -15.222 7.734 4.275) 17.601 1.686 ( -7.327 -1.849 -7.304) 10.509 1.686 ( -7.327 1.849 -7.304) 10.509 1.847 ( -0.392 -4.913 0.959) 5.021 1.847 ( -0.392 4.913 0.959) 5.021 1.999 ( -6.813 -5.225 3.306) 9.200 1.999 ( -6.813 5.225 3.306) 9.200 2.086 ( -4.817 -4.048 -2.384) 6.728 2.086 ( -4.817 4.048 -2.384) 6.728 2.220 ( -1.017 -4.276 0.899) 4.486 2.220 ( -1.017 4.276 0.899) 4.486 2.391 ( -0.805 -10.204 -1.025) 10.287 2.391 ( -0.805 10.204 -1.025) 10.287 2.458 ( -0.751 -3.313 -1.581) 3.747 2.458 ( -0.751 3.313 -1.581) 3.747 2.647 ( 0.915 -0.626 3.805) 3.964 2.647 ( 0.915 0.626 3.805) 3.964 2.716 ( 4.554 -2.253 1.189) 5.218 2.716 ( 4.554 2.253 1.189) 5.218 2.788 ( 4.396 -2.328 -3.299) 5.969 2.788 ( 4.396 2.328 -3.299) 5.969 2.959 ( -1.780 -2.673 -0.323) 3.228 2.959 ( -1.780 2.673 -0.323) 3.228 3.098 ( 0.460 -2.366 -2.514) 3.483 3.098 ( 0.460 2.366 -2.514) 3.483 3.163 ( -0.133 -6.225 2.490) 6.705 3.163 ( -0.133 6.225 2.490) 6.705 3.312 ( 2.312 -2.417 1.438) 3.641 3.312 ( 2.312 2.417 1.438) 3.641 3.440 ( 0.768 -2.556 -0.306) 2.687 3.440 ( 0.768 2.556 -0.306) 2.687 3.751 ( -2.084 -1.142 -1.899) 3.042 3.751 ( -2.084 1.142 -1.899) 3.042 3.947 ( 7.843 -3.931 3.310) 9.377 3.947 ( 7.843 3.931 3.310) 9.377 4.119 ( 3.062 -1.890 -1.900) 4.069 4.119 ( 3.062 1.890 -1.900) 4.069 4.267 ( 0.751 -3.450 2.218) 4.169 4.267 ( 0.751 3.450 2.218) 4.169 6.390 ( 0.685 -0.128 -0.018) 0.697 6.390 ( 0.685 0.128 -0.018) 0.697 6.412 ( -0.001 -0.112 0.040) 0.118 6.412 ( -0.001 0.112 0.040) 0.118 6.803 ( 0.416 -1.112 0.015) 1.187 6.803 ( 0.416 1.112 0.015) 1.187 6.923 ( 0.557 -1.300 -0.921) 1.688 6.923 ( 0.557 1.300 -0.921) 1.688 7.137 ( 0.041 -0.774 -0.838) 1.141 7.137 ( 0.041 0.774 -0.838) 1.141 7.199 ( -0.592 -0.905 1.839) 2.133 7.199 ( -0.592 0.905 1.839) 2.133 7.849 ( 1.404 -0.784 0.013) 1.607 7.849 ( 1.404 0.784 0.013) 1.607 7.882 ( 2.126 -0.014 -0.629) 2.217 7.882 ( 2.126 0.014 -0.629) 2.217 8.147 ( 2.528 -0.190 1.883) 3.158 8.147 ( 2.528 0.190 1.883) 3.158 8.160 ( 2.419 -0.817 -1.328) 2.878 8.160 ( 2.419 0.817 -1.328) 2.878 8.820 ( 0.758 -0.304 -0.113) 0.824 8.820 ( 0.758 0.304 -0.113) 0.824 8.872 ( 0.808 -0.643 -0.020) 1.033 8.872 ( 0.808 0.643 -0.020) 1.033 8.933 ( -2.004 -0.840 0.512) 2.232 8.933 ( -2.004 0.840 0.512) 2.232 8.987 ( -1.040 -0.274 -0.466) 1.172 8.987 ( -1.040 0.274 -0.466) 1.172 9.921 ( -0.410 -0.055 0.025) 0.414 9.921 ( -0.410 0.055 0.025) 0.414 9.997 ( -0.939 -0.750 0.249) 1.227 9.997 ( -0.939 0.750 0.249) 1.227 11.412 ( 0.649 -0.314 0.024) 0.722 11.412 ( 0.649 0.314 0.024) 0.722 11.450 ( 0.179 -0.255 0.350) 0.469 11.450 ( 0.179 0.255 0.350) 0.469 12.320 ( -0.308 -0.503 0.529) 0.793 12.320 ( -0.308 0.503 0.529) 0.793 12.342 ( 0.187 -0.810 -0.280) 0.877 12.342 ( 0.187 0.810 -0.280) 0.877 12.432 ( -2.066 -0.514 -0.095) 2.131 12.432 ( -2.066 0.514 -0.095) 2.131 12.472 ( -1.558 -0.779 0.439) 1.796 12.472 ( -1.558 0.779 0.439) 1.796 12.678 ( -0.442 -0.453 -0.990) 1.175 12.678 ( -0.442 0.453 -0.990) 1.175 12.786 ( 0.627 -0.226 1.114) 1.298 12.786 ( 0.627 0.226 1.114) 1.298 13.138 ( -0.594 -0.525 0.236) 0.827 13.138 ( -0.594 0.525 0.236) 0.827 13.161 ( -0.411 -0.241 -0.178) 0.509 13.161 ( -0.411 0.241 -0.178) 0.509 13.436 ( -0.616 -0.549 0.245) 0.860 13.436 ( -0.616 0.549 0.245) 0.860 13.503 ( -0.784 -0.617 -0.278) 1.036 13.503 ( -0.784 0.617 -0.278) 1.036 13.677 ( -0.270 -1.111 -0.784) 1.387 13.677 ( -0.270 1.111 -0.784) 1.387 13.779 ( 1.753 -0.767 0.740) 2.052 13.779 ( 1.753 0.767 0.740) 2.052 ======================= Grid point 93 (48/78) ======================= q-point: (-0.10 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -11.267 -12.655 -1.560) 17.015 0.856 ( -11.267 12.655 -1.560) 17.015 1.074 ( -1.046 -16.484 8.176) 18.430 1.074 ( -1.046 16.484 8.176) 18.430 1.463 ( -9.192 -9.075 -2.837) 13.225 1.463 ( -9.192 9.075 -2.837) 13.225 1.819 ( -3.691 -7.452 -0.835) 8.358 1.819 ( -3.691 7.452 -0.835) 8.358 1.918 ( -4.668 -2.231 1.889) 5.507 1.918 ( -4.668 2.231 1.889) 5.507 2.018 ( -2.069 -6.894 -1.070) 7.277 2.018 ( -2.069 6.894 -1.070) 7.277 2.171 ( -1.334 -3.844 -4.122) 5.792 2.171 ( -1.334 3.844 -4.122) 5.792 2.368 ( -1.273 -9.478 0.134) 9.564 2.368 ( -1.273 9.478 0.134) 9.564 2.461 ( 1.696 -2.692 0.340) 3.200 2.461 ( 1.696 2.692 0.340) 3.200 2.705 ( -0.190 -2.874 1.158) 3.104 2.705 ( -0.190 2.874 1.158) 3.104 2.756 ( 1.269 -2.218 2.390) 3.499 2.756 ( 1.269 2.218 2.390) 3.499 2.866 ( 5.201 -3.739 -4.411) 7.778 2.866 ( 5.201 3.739 -4.411) 7.778 2.958 ( 2.967 -3.321 1.486) 4.695 2.958 ( 2.967 3.321 1.486) 4.695 3.063 ( -3.671 -3.155 0.810) 4.908 3.063 ( -3.671 3.155 0.810) 4.908 3.219 ( 2.758 -4.430 3.102) 6.071 3.219 ( 2.758 4.430 3.102) 6.071 3.328 ( -1.105 -5.398 -1.104) 5.619 3.328 ( -1.105 5.398 -1.104) 5.619 3.468 ( 1.187 -4.148 3.356) 5.466 3.468 ( 1.187 4.148 3.356) 5.466 3.698 ( -1.996 -1.131 -0.794) 2.428 3.698 ( -1.996 1.131 -0.794) 2.428 4.053 ( 3.847 -3.303 -0.525) 5.097 4.053 ( 3.847 3.303 -0.525) 5.097 4.152 ( 2.000 -2.703 -1.236) 3.582 4.152 ( 2.000 2.703 -1.236) 3.582 4.312 ( 2.551 -3.285 -0.034) 4.159 4.312 ( 2.551 3.285 -0.034) 4.159 6.399 ( 0.336 -0.135 0.126) 0.384 6.399 ( 0.336 0.135 0.126) 0.384 6.414 ( 0.029 -0.062 0.385) 0.391 6.414 ( 0.029 0.062 0.385) 0.391 6.816 ( 0.757 -1.011 0.415) 1.330 6.816 ( 0.757 1.011 0.415) 1.330 6.914 ( -0.006 -1.024 -1.347) 1.692 6.914 ( -0.006 1.024 -1.347) 1.692 7.129 ( 0.242 -1.075 -0.867) 1.402 7.129 ( 0.242 1.075 -0.867) 1.402 7.210 ( -0.784 -0.715 1.984) 2.250 7.210 ( -0.784 0.715 1.984) 2.250 7.862 ( 0.240 -0.384 0.161) 0.481 7.862 ( 0.240 0.384 0.161) 0.481 7.901 ( 1.025 -0.155 -0.242) 1.065 7.901 ( 1.025 0.155 -0.242) 1.065 8.175 ( 1.075 -0.583 -0.541) 1.337 8.175 ( 1.075 0.583 -0.541) 1.337 8.209 ( 2.507 -0.410 0.996) 2.728 8.209 ( 2.507 0.410 0.996) 2.728 8.830 ( 0.508 -0.136 0.023) 0.526 8.830 ( 0.508 0.136 0.023) 0.526 8.883 ( 0.633 -0.435 -0.257) 0.810 8.883 ( 0.633 0.435 -0.257) 0.810 8.909 ( -1.498 -0.847 0.475) 1.785 8.909 ( -1.498 0.847 0.475) 1.785 8.969 ( -0.556 -0.591 -0.546) 0.978 8.969 ( -0.556 0.591 -0.546) 0.978 9.917 ( -0.242 -0.030 0.106) 0.266 9.917 ( -0.242 0.030 0.106) 0.266 9.984 ( -0.726 -0.956 -0.287) 1.234 9.984 ( -0.726 0.956 -0.287) 1.234 11.421 ( 0.401 -0.298 -0.106) 0.511 11.421 ( 0.401 0.298 -0.106) 0.511 11.457 ( 0.063 -0.322 0.527) 0.621 11.457 ( 0.063 0.322 0.527) 0.621 12.321 ( -0.362 -0.434 0.467) 0.733 12.321 ( -0.362 0.434 0.467) 0.733 12.342 ( 0.267 -0.514 -0.416) 0.713 12.342 ( 0.267 0.514 -0.416) 0.713 12.403 ( -1.341 -0.634 0.041) 1.484 12.403 ( -1.341 0.634 0.041) 1.484 12.455 ( -1.129 -0.707 0.309) 1.368 12.455 ( -1.129 0.707 0.309) 1.368 12.672 ( 0.206 -0.330 0.046) 0.391 12.672 ( 0.206 0.330 0.046) 0.391 12.797 ( -0.057 -0.262 0.137) 0.301 12.797 ( -0.057 0.262 0.137) 0.301 13.130 ( -0.551 -0.476 0.084) 0.733 13.130 ( -0.551 0.476 0.084) 0.733 13.153 ( -0.236 -0.242 -0.368) 0.500 13.153 ( -0.236 0.242 -0.368) 0.500 13.431 ( -0.280 -0.453 -0.241) 0.584 13.431 ( -0.280 0.453 -0.241) 0.584 13.493 ( -0.310 -0.789 0.262) 0.887 13.493 ( -0.310 0.789 0.262) 0.887 13.671 ( 0.114 -1.312 0.148) 1.325 13.671 ( 0.114 1.312 0.148) 1.325 13.804 ( 0.809 -0.859 -0.104) 1.185 13.804 ( 0.809 0.859 -0.104) 1.185 ======================= Grid point 105 (49/78) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 0.297 0.000 16.731) 16.734 0.913 ( 3.232 0.000 17.485) 17.781 1.205 ( -1.384 0.000 -8.374) 8.487 1.306 ( -4.663 0.000 -7.994) 9.255 1.324 ( -1.661 0.000 21.797) 21.860 1.370 ( 3.675 0.000 1.785) 4.086 1.439 ( 1.957 0.000 -10.933) 11.106 1.700 ( 2.813 0.000 -5.421) 6.107 1.862 ( 5.000 0.000 0.386) 5.015 1.865 ( -3.823 0.000 -2.115) 4.369 2.012 ( -5.135 0.000 -3.115) 6.006 2.061 ( 0.929 0.000 -9.939) 9.983 2.167 ( -4.696 0.000 4.802) 6.717 2.287 ( -1.145 0.000 -5.083) 5.211 2.293 ( -1.695 0.000 3.752) 4.117 2.431 ( 1.524 0.000 -9.003) 9.131 2.538 ( -0.768 0.000 4.776) 4.838 2.582 ( 3.158 0.000 4.928) 5.853 2.595 ( 2.215 0.000 0.256) 2.230 2.696 ( 1.722 0.000 -5.839) 6.087 2.705 ( 3.599 0.000 5.897) 6.908 2.775 ( 2.337 0.000 -1.063) 2.567 2.852 ( 6.299 0.000 2.047) 6.624 2.862 ( -4.470 0.000 -1.432) 4.693 2.913 ( -0.008 0.000 1.665) 1.665 2.967 ( -2.628 0.000 -1.935) 3.264 3.013 ( -2.674 0.000 -0.904) 2.823 3.027 ( 0.216 0.000 -1.737) 1.751 3.244 ( -4.870 0.000 7.310) 8.784 3.342 ( 4.582 0.000 -1.189) 4.734 3.500 ( 1.067 0.000 6.942) 7.024 3.515 ( 5.077 0.000 3.406) 6.114 3.586 ( -5.028 0.000 -2.044) 5.428 3.643 ( -1.792 0.000 -4.842) 5.162 3.662 ( -4.301 0.000 3.444) 5.510 3.728 ( 1.877 0.000 -2.116) 2.828 3.902 ( 0.572 0.000 1.806) 1.894 3.914 ( 0.036 0.000 0.076) 0.085 4.123 ( -2.946 0.000 -0.279) 2.959 4.132 ( 3.080 0.000 -1.081) 3.265 4.266 ( -1.824 0.000 3.118) 3.613 4.330 ( 0.411 0.000 -2.821) 2.851 6.412 ( 0.020 0.000 0.132) 0.133 6.414 ( -0.175 0.000 0.090) 0.197 6.430 ( -0.250 0.000 0.466) 0.529 6.433 ( 0.338 0.000 0.098) 0.352 6.822 ( 0.313 0.000 1.425) 1.459 6.837 ( -2.083 0.000 1.062) 2.338 6.860 ( -0.077 0.000 -2.053) 2.055 6.877 ( 2.368 0.000 -2.719) 3.605 7.141 ( -0.946 0.000 1.778) 2.014 7.186 ( 0.860 0.000 -2.053) 2.225 7.196 ( -0.144 0.000 1.082) 1.091 7.218 ( -0.847 0.000 -1.017) 1.323 7.846 ( -0.334 0.000 0.762) 0.832 7.873 ( 0.310 0.000 -1.718) 1.746 7.918 ( 0.752 0.000 1.356) 1.551 7.928 ( -0.172 0.000 0.340) 0.381 8.163 ( 0.358 0.000 -0.285) 0.458 8.164 ( -0.420 0.000 -0.366) 0.557 8.254 ( -1.245 0.000 0.981) 1.585 8.264 ( 1.128 0.000 0.058) 1.129 8.829 ( 0.622 0.000 0.049) 0.624 8.838 ( -0.821 0.000 -0.500) 0.961 8.863 ( 0.676 0.000 0.033) 0.677 8.867 ( -0.694 0.000 -0.119) 0.704 8.907 ( -0.201 0.000 0.860) 0.883 8.925 ( 0.357 0.000 -0.955) 1.019 8.943 ( -0.504 0.000 1.208) 1.309 8.970 ( 0.558 0.000 -1.213) 1.336 9.925 ( 0.603 0.000 0.732) 0.948 9.929 ( -0.831 0.000 0.570) 1.008 9.944 ( 0.675 0.000 -0.540) 0.865 9.954 ( -0.845 0.000 -1.614) 1.822 11.416 ( 0.241 0.000 0.065) 0.250 11.419 ( -0.217 0.000 -0.113) 0.245 11.465 ( -0.557 0.000 0.990) 1.135 11.478 ( 0.228 0.000 -0.145) 0.270 12.313 ( -0.097 0.000 0.245) 0.263 12.319 ( -0.145 0.000 -0.327) 0.358 12.331 ( -0.879 0.000 -0.153) 0.892 12.335 ( 0.670 0.000 -0.532) 0.856 12.397 ( 1.017 0.000 0.763) 1.271 12.410 ( -1.092 0.000 -0.511) 1.205 12.439 ( -0.256 0.000 0.853) 0.890 12.454 ( -0.039 0.000 -0.501) 0.503 12.705 ( 1.189 0.000 2.009) 2.335 12.727 ( 1.053 0.000 1.962) 2.227 12.747 ( -1.174 0.000 -1.909) 2.242 12.767 ( -1.139 0.000 -1.709) 2.054 13.115 ( -0.460 0.000 0.331) 0.567 13.123 ( 0.508 0.000 -0.273) 0.577 13.142 ( 0.084 0.000 -0.074) 0.112 13.145 ( -0.141 0.000 -0.160) 0.213 13.403 ( -0.146 0.000 0.462) 0.485 13.423 ( 0.019 0.000 -1.318) 1.318 13.498 ( 0.027 0.000 1.058) 1.058 13.513 ( 0.054 0.000 -0.344) 0.348 13.715 ( 1.281 0.000 2.544) 2.849 13.737 ( 0.667 0.000 1.264) 1.429 13.751 ( -0.744 0.000 -1.146) 1.366 13.780 ( -1.092 0.000 -2.271) 2.519 ======================= Grid point 106 (50/78) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 2.323 0.000 -3.922) 4.558 1.037 ( 5.747 0.000 -6.027) 8.327 1.226 ( 6.950 0.000 -1.662) 7.146 1.238 ( 2.997 0.000 13.574) 13.901 1.374 ( 0.075 0.000 -2.418) 2.419 1.380 ( 1.741 0.000 4.815) 5.119 1.610 ( 4.714 0.000 -13.401) 14.206 1.614 ( 5.395 0.000 2.392) 5.901 1.817 ( 0.317 0.000 -0.566) 0.649 1.929 ( 0.834 0.000 -1.361) 1.596 1.988 ( 4.416 0.000 7.446) 8.657 2.098 ( 7.588 0.000 -0.099) 7.588 2.184 ( -3.821 0.000 11.498) 12.116 2.279 ( 3.852 0.000 -3.319) 5.085 2.321 ( -5.404 0.000 -5.947) 8.035 2.344 ( 4.339 0.000 5.212) 6.781 2.512 ( -9.704 0.000 -10.266) 14.127 2.542 ( 0.481 0.000 1.724) 1.789 2.659 ( 3.363 0.000 0.712) 3.437 2.667 ( 1.795 0.000 4.903) 5.221 2.736 ( -5.674 0.000 -4.313) 7.127 2.801 ( 7.255 0.000 -4.503) 8.539 2.823 ( 0.942 0.000 -4.635) 4.730 2.891 ( -5.227 0.000 -3.304) 6.184 2.892 ( -0.722 0.000 3.083) 3.166 2.953 ( -3.446 0.000 0.656) 3.508 3.037 ( 1.385 0.000 0.091) 1.388 3.060 ( 9.469 0.000 4.393) 10.438 3.241 ( -2.679 0.000 4.786) 5.485 3.373 ( 2.657 0.000 -5.089) 5.741 3.431 ( -8.654 0.000 -2.338) 8.964 3.560 ( 0.392 0.000 -4.498) 4.515 3.582 ( -3.314 0.000 6.082) 6.926 3.618 ( 2.149 0.000 2.598) 3.372 3.663 ( -0.738 0.000 4.613) 4.672 3.718 ( -0.559 0.000 -1.599) 1.694 3.885 ( -3.373 0.000 -0.671) 3.439 3.896 ( -2.093 0.000 -0.344) 2.121 4.062 ( -4.327 0.000 0.394) 4.345 4.162 ( 1.550 0.000 -0.739) 1.717 4.277 ( -1.490 0.000 3.937) 4.210 4.311 ( 0.239 0.000 -1.710) 1.727 6.408 ( -0.610 0.000 -0.094) 0.617 6.410 ( -0.535 0.000 0.321) 0.624 6.427 ( -0.437 0.000 0.005) 0.437 6.434 ( -0.231 0.000 -0.117) 0.259 6.818 ( -1.840 0.000 1.519) 2.386 6.839 ( 0.178 0.000 -1.993) 2.001 6.844 ( 0.179 0.000 1.880) 1.889 6.885 ( 1.719 0.000 -2.105) 2.718 7.140 ( -1.693 0.000 1.801) 2.472 7.167 ( -0.221 0.000 -1.347) 1.365 7.210 ( 0.058 0.000 1.540) 1.541 7.213 ( 0.857 0.000 -0.680) 1.094 7.851 ( -0.628 0.000 1.045) 1.219 7.863 ( 0.472 0.000 -1.046) 1.147 7.912 ( -1.457 0.000 -1.039) 1.789 7.925 ( -0.945 0.000 0.147) 0.956 8.142 ( -1.848 0.000 -0.092) 1.850 8.148 ( -2.053 0.000 0.269) 2.070 8.227 ( -3.024 0.000 0.470) 3.061 8.266 ( -0.564 0.000 -0.235) 0.611 8.819 ( -0.860 0.000 -0.410) 0.953 8.839 ( 0.224 0.000 0.674) 0.710 8.858 ( -0.103 0.000 -0.331) 0.347 8.870 ( -0.063 0.000 0.256) 0.264 8.915 ( 0.249 0.000 0.734) 0.775 8.930 ( 1.605 0.000 -0.841) 1.812 8.954 ( 0.204 0.000 1.174) 1.191 8.970 ( 1.112 0.000 -1.286) 1.700 9.920 ( -0.511 0.000 -0.041) 0.513 9.938 ( 0.110 0.000 -0.330) 0.348 9.950 ( 1.215 0.000 0.714) 1.409 9.954 ( 1.091 0.000 0.172) 1.104 11.411 ( -0.512 0.000 -0.169) 0.539 11.420 ( 0.021 0.000 0.138) 0.140 11.465 ( -0.764 0.000 0.876) 1.163 11.477 ( -0.057 0.000 -0.381) 0.385 12.313 ( -0.399 0.000 0.406) 0.569 12.314 ( -0.144 0.000 0.058) 0.155 12.327 ( 0.142 0.000 0.146) 0.204 12.346 ( 0.950 0.000 -0.127) 0.958 12.395 ( 0.118 0.000 -0.506) 0.520 12.426 ( 1.596 0.000 0.674) 1.732 12.454 ( 0.871 0.000 0.812) 1.191 12.457 ( 1.002 0.000 -0.445) 1.096 12.706 ( -1.335 0.000 -1.970) 2.380 12.729 ( -1.139 0.000 -1.778) 2.111 12.745 ( 1.116 0.000 1.972) 2.266 12.765 ( 0.980 0.000 1.902) 2.140 13.117 ( 0.200 0.000 0.393) 0.441 13.130 ( 0.885 0.000 -0.419) 0.979 13.145 ( 0.415 0.000 -0.111) 0.429 13.150 ( 0.599 0.000 0.173) 0.624 13.413 ( 0.466 0.000 1.089) 1.184 13.414 ( 0.335 0.000 -0.902) 0.962 13.509 ( 0.168 0.000 -0.821) 0.838 13.510 ( 0.426 0.000 0.691) 0.812 13.718 ( -1.515 0.000 -2.056) 2.554 13.735 ( -1.485 0.000 -1.507) 2.115 13.746 ( 0.152 0.000 1.124) 1.134 13.767 ( 0.411 0.000 2.278) 2.314 ======================= Grid point 107 (51/78) ======================= q-point: ( 0.20 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 5.415 0.000 -17.893) 18.694 1.105 ( 10.305 0.000 -5.423) 11.645 1.344 ( 4.298 0.000 3.862) 5.778 1.355 ( -0.604 0.000 9.651) 9.670 1.496 ( 10.140 0.000 3.914) 10.869 1.523 ( -1.163 0.000 6.045) 6.156 1.708 ( 13.943 0.000 1.465) 14.019 1.711 ( 15.040 0.000 0.269) 15.042 1.814 ( 0.577 0.000 -4.615) 4.650 1.909 ( -2.797 0.000 1.547) 3.196 2.054 ( -3.294 0.000 5.206) 6.160 2.138 ( -7.482 0.000 -3.994) 8.481 2.189 ( 0.783 0.000 -4.000) 4.076 2.286 ( 2.401 0.000 -4.760) 5.331 2.337 ( 3.247 0.000 6.997) 7.714 2.345 ( 3.470 0.000 -5.128) 6.192 2.498 ( -1.968 0.000 -0.196) 1.978 2.521 ( -0.455 0.000 1.961) 2.013 2.665 ( 5.695 0.000 7.005) 9.028 2.700 ( -4.237 0.000 0.236) 4.244 2.724 ( -0.554 0.000 1.734) 1.820 2.724 ( -6.598 0.000 -2.111) 6.927 2.800 ( 2.632 0.000 -3.719) 4.556 2.845 ( -6.139 0.000 -1.212) 6.257 2.867 ( 9.017 0.000 -8.885) 12.659 2.984 ( 4.319 0.000 3.354) 5.469 3.089 ( 5.021 0.000 1.312) 5.189 3.124 ( -5.304 0.000 0.096) 5.305 3.251 ( -5.025 0.000 -0.634) 5.065 3.321 ( -0.035 0.000 -7.719) 7.719 3.345 ( 4.966 0.000 3.097) 5.853 3.532 ( 1.286 0.000 -6.383) 6.511 3.558 ( -5.544 0.000 3.957) 6.811 3.636 ( -0.654 0.000 -1.121) 1.298 3.692 ( -4.640 0.000 2.359) 5.206 3.701 ( -1.123 0.000 4.160) 4.309 3.812 ( -3.302 0.000 -0.164) 3.306 3.839 ( -3.205 0.000 -1.672) 3.615 4.004 ( -3.963 0.000 1.758) 4.336 4.159 ( -0.329 0.000 -1.501) 1.537 4.300 ( -1.100 0.000 4.180) 4.322 4.302 ( 0.247 0.000 -0.860) 0.894 6.393 ( -1.009 0.000 -0.141) 1.019 6.403 ( -0.786 0.000 0.419) 0.891 6.419 ( -0.359 0.000 -0.261) 0.444 6.423 ( -0.704 0.000 -0.372) 0.796 6.808 ( -1.380 0.000 1.397) 1.964 6.822 ( 0.264 0.000 -2.023) 2.040 6.864 ( -0.543 0.000 2.216) 2.282 6.889 ( 0.889 0.000 -1.134) 1.441 7.126 ( -1.606 0.000 0.968) 1.875 7.159 ( 0.610 0.000 -0.792) 1.000 7.223 ( 1.495 0.000 -1.133) 1.876 7.226 ( -0.478 0.000 1.953) 2.011 7.835 ( -2.608 0.000 0.711) 2.703 7.843 ( -3.091 0.000 -0.864) 3.209 7.884 ( 0.811 0.000 -1.145) 1.403 7.888 ( -3.451 0.000 -0.515) 3.489 8.109 ( -3.688 0.000 1.162) 3.867 8.115 ( -1.047 0.000 -0.021) 1.047 8.174 ( -3.624 0.000 0.032) 3.625 8.247 ( -1.141 0.000 -0.767) 1.375 8.802 ( -0.944 0.000 -0.219) 0.969 8.840 ( -0.655 0.000 -0.168) 0.676 8.862 ( 0.639 0.000 0.253) 0.687 8.866 ( -0.738 0.000 0.236) 0.775 8.933 ( 0.926 0.000 0.916) 1.302 8.956 ( 2.566 0.000 -1.048) 2.772 8.971 ( 0.495 0.000 0.944) 1.066 8.980 ( 1.511 0.000 -0.830) 1.724 9.916 ( 0.001 0.000 0.004) 0.004 9.945 ( 0.615 0.000 0.432) 0.752 9.962 ( 1.154 0.000 -1.079) 1.580 9.991 ( 1.218 0.000 1.920) 2.274 11.400 ( -0.700 0.000 0.014) 0.700 11.418 ( -0.234 0.000 -0.134) 0.270 11.459 ( -0.869 0.000 0.575) 1.042 11.470 ( -0.231 0.000 -0.370) 0.436 12.308 ( -0.739 0.000 0.471) 0.876 12.316 ( 0.303 0.000 0.035) 0.305 12.334 ( 0.429 0.000 0.283) 0.514 12.356 ( 0.572 0.000 -0.216) 0.612 12.407 ( 1.412 0.000 0.213) 1.428 12.459 ( 1.655 0.000 0.441) 1.713 12.475 ( 1.713 0.000 -0.388) 1.756 12.480 ( 1.298 0.000 0.587) 1.425 12.669 ( -0.953 0.000 -1.245) 1.568 12.698 ( -0.717 0.000 -1.230) 1.424 12.777 ( 0.635 0.000 1.209) 1.366 12.794 ( 0.527 0.000 1.186) 1.298 13.128 ( 0.657 0.000 0.318) 0.730 13.142 ( 0.840 0.000 -0.174) 0.858 13.155 ( 0.628 0.000 0.207) 0.661 13.159 ( 0.389 0.000 0.026) 0.390 13.415 ( 0.581 0.000 -0.229) 0.625 13.439 ( 1.130 0.000 1.315) 1.734 13.500 ( 0.102 0.000 -1.276) 1.280 13.527 ( 1.064 0.000 0.360) 1.123 13.668 ( -1.389 0.000 -2.151) 2.561 13.707 ( -1.075 0.000 -0.119) 1.082 13.750 ( -0.643 0.000 0.576) 0.863 13.785 ( -0.657 0.000 1.350) 1.502 ======================= Grid point 108 (52/78) ======================= q-point: ( 0.30 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 15.588 0.000 -1.027) 15.622 1.219 ( 5.052 0.000 2.769) 5.761 1.486 ( 5.049 0.000 4.187) 6.559 1.509 ( -0.012 0.000 1.560) 1.560 1.544 ( 8.985 0.000 10.612) 13.904 1.594 ( -0.824 0.000 -1.684) 1.874 1.724 ( 1.362 0.000 -7.131) 7.260 1.856 ( -3.903 0.000 4.260) 5.778 1.977 ( 12.321 0.000 0.936) 12.357 2.025 ( 9.807 0.000 8.697) 13.108 2.069 ( -3.789 0.000 2.136) 4.349 2.088 ( 1.152 0.000 5.456) 5.576 2.161 ( 5.765 0.000 1.979) 6.095 2.256 ( -5.994 0.000 -4.962) 7.781 2.291 ( 2.901 0.000 -7.269) 7.826 2.382 ( 3.650 0.000 -3.022) 4.739 2.433 ( 1.246 0.000 0.787) 1.473 2.529 ( -2.164 0.000 -6.918) 7.248 2.641 ( -3.035 0.000 0.681) 3.110 2.681 ( -5.529 0.000 3.251) 6.414 2.701 ( -6.941 0.000 -4.368) 8.201 2.722 ( 1.839 0.000 4.921) 5.254 2.807 ( -2.499 0.000 3.814) 4.560 2.832 ( 2.423 0.000 0.879) 2.578 2.926 ( 11.229 0.000 -10.694) 15.507 2.971 ( -5.959 0.000 0.795) 6.012 3.095 ( 0.660 0.000 1.605) 1.736 3.196 ( 2.392 0.000 -0.990) 2.589 3.234 ( 2.472 0.000 -5.644) 6.161 3.251 ( 6.008 0.000 0.746) 6.054 3.417 ( -3.931 0.000 0.437) 3.956 3.456 ( -4.182 0.000 -4.392) 6.064 3.512 ( -5.351 0.000 -7.190) 8.962 3.524 ( 0.382 0.000 3.015) 3.039 3.650 ( -4.138 0.000 0.293) 4.149 3.714 ( -1.468 0.000 1.910) 2.409 3.771 ( -2.823 0.000 -1.364) 3.135 3.797 ( -0.202 0.000 1.897) 1.908 3.988 ( -1.431 0.000 3.411) 3.699 4.130 ( -0.464 0.000 -1.936) 1.990 4.294 ( -0.151 0.000 -1.047) 1.058 4.324 ( -1.105 0.000 3.374) 3.550 6.376 ( -0.877 0.000 -0.055) 0.879 6.395 ( -0.709 0.000 0.198) 0.736 6.407 ( -0.772 0.000 -0.312) 0.833 6.411 ( -0.350 0.000 -0.081) 0.360 6.801 ( -0.976 0.000 0.946) 1.359 6.806 ( 0.410 0.000 -1.867) 1.911 6.874 ( -1.174 0.000 2.392) 2.665 6.891 ( 0.603 0.000 -0.579) 0.836 7.118 ( -0.388 0.000 0.655) 0.761 7.165 ( 0.993 0.000 -0.825) 1.291 7.229 ( -1.553 0.000 1.484) 2.148 7.232 ( 1.479 0.000 -1.814) 2.341 7.772 ( -4.177 0.000 -0.656) 4.228 7.789 ( -3.775 0.000 0.856) 3.871 7.813 ( -4.635 0.000 -0.496) 4.662 7.888 ( 0.026 0.000 -0.656) 0.657 8.058 ( -3.974 0.000 1.084) 4.119 8.109 ( 0.140 0.000 -0.292) 0.324 8.129 ( -2.011 0.000 0.718) 2.135 8.217 ( -0.945 0.000 -1.605) 1.863 8.786 ( -0.831 0.000 -0.080) 0.835 8.821 ( -0.752 0.000 -1.066) 1.305 8.856 ( -0.707 0.000 0.195) 0.734 8.873 ( 0.208 0.000 0.304) 0.368 8.964 ( 1.420 0.000 1.216) 1.870 8.980 ( 2.003 0.000 -1.287) 2.381 8.987 ( 0.395 0.000 0.725) 0.825 9.004 ( 2.029 0.000 -0.273) 2.047 9.919 ( 0.183 0.000 0.228) 0.292 9.964 ( 0.850 0.000 0.892) 1.231 9.965 ( 0.753 0.000 -1.397) 1.587 10.025 ( 0.871 0.000 1.305) 1.569 11.391 ( -0.658 0.000 0.293) 0.720 11.409 ( -0.376 0.000 -0.515) 0.637 11.450 ( -0.849 0.000 0.277) 0.893 11.463 ( -0.256 0.000 -0.281) 0.380 12.301 ( -0.697 0.000 0.501) 0.859 12.321 ( 0.364 0.000 -0.272) 0.454 12.345 ( 0.431 0.000 0.371) 0.569 12.361 ( 0.408 0.000 -0.375) 0.554 12.436 ( 1.456 0.000 0.568) 1.563 12.487 ( 1.430 0.000 0.061) 1.431 12.501 ( 2.027 0.000 -0.352) 2.057 12.504 ( 1.033 0.000 0.462) 1.132 12.654 ( -0.109 0.000 -0.015) 0.110 12.683 ( -0.067 0.000 -0.254) 0.263 12.788 ( -0.157 0.000 0.032) 0.161 12.804 ( -0.090 0.000 0.106) 0.139 13.143 ( 0.757 0.000 0.412) 0.861 13.149 ( 0.283 0.000 -0.262) 0.385 13.164 ( 0.099 0.000 0.287) 0.304 13.164 ( 0.143 0.000 0.180) 0.230 13.429 ( 0.966 0.000 0.588) 1.130 13.472 ( 1.088 0.000 1.099) 1.547 13.489 ( 0.468 0.000 -1.405) 1.481 13.548 ( 1.234 0.000 -0.136) 1.242 13.638 ( -0.483 0.000 -0.698) 0.849 13.697 ( -0.507 0.000 0.629) 0.807 13.740 ( -0.960 0.000 -0.026) 0.961 13.775 ( -1.487 0.000 0.192) 1.499 ======================= Grid point 109 (53/78) ======================= q-point: ( 0.40 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 15.812 0.000 9.769) 18.586 1.322 ( -0.293 0.000 10.068) 10.073 1.478 ( -3.825 0.000 -2.323) 4.475 1.490 ( 3.079 0.000 -4.300) 5.289 1.635 ( 0.471 0.000 7.470) 7.485 1.725 ( 3.998 0.000 -3.721) 5.462 1.829 ( 6.320 0.000 11.674) 13.275 1.851 ( -3.575 0.000 1.634) 3.930 1.943 ( -6.865 0.000 -3.978) 7.934 2.007 ( -1.083 0.000 0.911) 1.415 2.179 ( 6.950 0.000 4.445) 8.250 2.229 ( -0.864 0.000 -1.329) 1.585 2.261 ( 4.632 0.000 3.051) 5.547 2.327 ( 6.768 0.000 7.560) 10.147 2.329 ( 2.242 0.000 2.041) 3.032 2.366 ( 3.951 0.000 -1.742) 4.318 2.450 ( -0.855 0.000 -1.248) 1.513 2.536 ( -0.931 0.000 -6.565) 6.631 2.555 ( -7.362 0.000 0.520) 7.381 2.581 ( 11.547 0.000 -3.588) 12.092 2.647 ( 0.637 0.000 0.757) 0.989 2.692 ( -8.800 0.000 2.527) 9.156 2.801 ( 0.036 0.000 3.195) 3.195 2.878 ( 0.509 0.000 2.832) 2.877 2.932 ( -5.239 0.000 2.255) 5.704 2.991 ( 10.579 0.000 -10.896) 15.187 3.086 ( -5.661 0.000 -5.745) 8.066 3.098 ( 1.168 0.000 -1.176) 1.657 3.244 ( -3.671 0.000 -6.951) 7.861 3.270 ( -8.624 0.000 -4.457) 9.708 3.306 ( 1.867 0.000 -6.727) 6.981 3.353 ( 1.184 0.000 1.205) 1.689 3.488 ( 3.433 0.000 0.036) 3.433 3.544 ( -2.786 0.000 -2.522) 3.758 3.561 ( -5.485 0.000 1.238) 5.623 3.703 ( 0.165 0.000 3.073) 3.077 3.750 ( 0.462 0.000 -0.209) 0.507 3.826 ( 1.314 0.000 0.896) 1.590 4.011 ( -0.959 0.000 3.644) 3.768 4.116 ( 1.275 0.000 -2.235) 2.573 4.280 ( -0.180 0.000 -0.419) 0.456 4.329 ( -1.618 0.000 1.745) 2.379 6.367 ( -0.140 0.000 0.043) 0.146 6.384 ( -0.649 0.000 -0.130) 0.662 6.396 ( -0.399 0.000 0.012) 0.399 6.405 ( -0.473 0.000 0.191) 0.510 6.798 ( -0.797 0.000 0.906) 1.207 6.800 ( 0.984 0.000 -1.418) 1.726 6.878 ( -1.358 0.000 2.225) 2.606 6.896 ( 0.761 0.000 -0.526) 0.925 7.125 ( 0.254 0.000 0.748) 0.790 7.170 ( 0.758 0.000 -1.128) 1.359 7.209 ( -2.232 0.000 0.923) 2.415 7.232 ( 1.175 0.000 -2.307) 2.589 7.710 ( -2.832 0.000 0.072) 2.833 7.733 ( -3.241 0.000 -0.393) 3.265 7.761 ( -2.166 0.000 1.575) 2.678 7.861 ( -2.041 0.000 -1.137) 2.336 8.021 ( -1.521 0.000 0.944) 1.790 8.102 ( -0.113 0.000 -1.454) 1.458 8.125 ( -0.440 0.000 1.740) 1.795 8.189 ( -0.306 0.000 -1.586) 1.615 8.774 ( -0.482 0.000 -0.010) 0.482 8.798 ( -0.512 0.000 -1.260) 1.360 8.850 ( -0.303 0.000 0.292) 0.421 8.873 ( -0.224 0.000 -0.203) 0.303 8.994 ( 0.251 0.000 0.885) 0.920 8.997 ( 1.496 0.000 -0.840) 1.716 9.001 ( 0.729 0.000 1.038) 1.269 9.029 ( 1.423 0.000 -0.406) 1.480 9.925 ( 0.106 0.000 0.365) 0.380 9.958 ( 0.268 0.000 -1.392) 1.418 9.989 ( 0.767 0.000 1.298) 1.507 10.043 ( 0.259 0.000 0.250) 0.360 11.386 ( -0.418 0.000 0.396) 0.576 11.398 ( -0.214 0.000 -0.608) 0.645 11.440 ( -0.657 0.000 0.292) 0.719 11.456 ( -0.175 0.000 -0.348) 0.389 12.298 ( -0.438 0.000 0.645) 0.780 12.321 ( 0.195 0.000 -0.562) 0.595 12.354 ( 0.143 0.000 0.334) 0.363 12.362 ( 0.296 0.000 -0.439) 0.530 12.463 ( 0.997 0.000 0.721) 1.230 12.501 ( 0.609 0.000 -0.517) 0.799 12.523 ( 0.527 0.000 0.670) 0.852 12.528 ( 1.570 0.000 -0.283) 1.595 12.666 ( 0.827 0.000 1.154) 1.420 12.692 ( 0.719 0.000 0.893) 1.147 12.773 ( -0.981 0.000 -1.098) 1.472 12.793 ( -0.768 0.000 -0.996) 1.258 13.148 ( 0.013 0.000 -0.207) 0.208 13.157 ( 0.187 0.000 0.171) 0.253 13.164 ( -0.113 0.000 0.208) 0.237 13.169 ( -0.020 0.000 0.408) 0.409 13.458 ( 1.293 0.000 1.301) 1.834 13.490 ( 1.237 0.000 -0.949) 1.559 13.490 ( -0.042 0.000 0.695) 0.696 13.557 ( 0.417 0.000 -0.928) 1.017 13.637 ( 0.269 0.000 0.722) 0.770 13.702 ( -0.059 0.000 1.048) 1.049 13.721 ( -0.836 0.000 -0.874) 1.209 13.749 ( -1.341 0.000 -0.370) 1.391 ======================= Grid point 110 (54/78) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -4.877 0.000 3.691) 6.116 1.422 ( -4.760 0.000 14.892) 15.634 1.499 ( 4.041 0.000 -5.598) 6.904 1.622 ( 13.331 0.000 4.801) 14.169 1.686 ( 0.244 0.000 4.877) 4.883 1.722 ( -10.182 0.000 -0.048) 10.182 1.745 ( -5.784 0.000 -2.156) 6.173 1.783 ( 6.455 0.000 -9.249) 11.279 1.984 ( -0.798 0.000 10.901) 10.931 2.152 ( 10.955 0.000 4.167) 11.721 2.185 ( -9.270 0.000 1.077) 9.332 2.229 ( -4.924 0.000 -7.368) 8.862 2.287 ( 6.564 0.000 -0.024) 6.564 2.320 ( -4.040 0.000 -4.609) 6.129 2.326 ( -1.612 0.000 6.009) 6.222 2.427 ( -3.241 0.000 2.616) 4.165 2.506 ( 9.527 0.000 1.600) 9.660 2.515 ( -2.376 0.000 3.026) 3.847 2.568 ( -7.202 0.000 0.445) 7.216 2.653 ( 8.892 0.000 2.800) 9.322 2.672 ( -1.493 0.000 -3.233) 3.562 2.754 ( 8.451 0.000 -0.018) 8.451 2.806 ( -4.643 0.000 5.464) 7.170 2.842 ( 0.774 0.000 -4.136) 4.207 2.871 ( -1.848 0.000 0.317) 1.875 2.979 ( 1.098 0.000 0.589) 1.246 3.072 ( -8.024 0.000 -2.950) 8.549 3.075 ( 7.392 0.000 -6.463) 9.819 3.110 ( -0.484 0.000 -9.466) 9.479 3.114 ( 1.800 0.000 -4.468) 4.817 3.263 ( -12.003 0.000 1.782) 12.135 3.329 ( 7.475 0.000 -3.218) 8.138 3.463 ( -2.029 0.000 -1.085) 2.301 3.474 ( -0.601 0.000 -1.789) 1.887 3.610 ( 2.382 0.000 5.204) 5.723 3.705 ( -1.160 0.000 -3.616) 3.797 3.794 ( 1.484 0.000 3.897) 4.170 3.840 ( -0.451 0.000 -0.511) 0.682 4.028 ( -1.473 0.000 3.616) 3.904 4.110 ( 1.774 0.000 -3.870) 4.257 4.291 ( 0.725 0.000 1.621) 1.776 4.309 ( -2.285 0.000 0.416) 2.322 6.372 ( 0.567 0.000 -0.035) 0.568 6.373 ( -0.458 0.000 -0.186) 0.494 6.396 ( 0.233 0.000 0.362) 0.431 6.399 ( -0.428 0.000 0.059) 0.432 6.791 ( -1.050 0.000 0.591) 1.205 6.808 ( 1.643 0.000 -1.069) 1.960 6.877 ( -1.265 0.000 1.775) 2.179 6.905 ( 1.177 0.000 -0.730) 1.386 7.139 ( 0.257 0.000 0.858) 0.895 7.164 ( 0.294 0.000 -1.433) 1.463 7.187 ( -1.935 0.000 1.459) 2.424 7.224 ( 0.851 0.000 -2.011) 2.184 7.691 ( 0.386 0.000 0.250) 0.460 7.700 ( -0.057 0.000 -0.545) 0.548 7.772 ( 1.061 0.000 2.164) 2.410 7.817 ( -0.883 0.000 -1.894) 2.090 8.028 ( 0.393 0.000 1.718) 1.763 8.076 ( -0.193 0.000 -2.541) 2.549 8.141 ( -0.247 0.000 1.890) 1.906 8.171 ( -0.309 0.000 -1.089) 1.132 8.771 ( 0.032 0.000 0.106) 0.111 8.782 ( 0.079 0.000 -0.970) 0.973 8.853 ( 0.241 0.000 0.505) 0.560 8.864 ( -0.322 0.000 -0.518) 0.610 8.995 ( -0.899 0.000 0.661) 1.116 9.008 ( 0.808 0.000 -0.592) 1.001 9.021 ( -0.034 0.000 0.982) 0.982 9.038 ( 0.254 0.000 -0.614) 0.665 9.929 ( -0.086 0.000 0.559) 0.565 9.946 ( -0.082 0.000 -1.045) 1.048 10.014 ( 0.442 0.000 1.505) 1.569 10.039 ( -0.470 0.000 -0.687) 0.832 11.385 ( -0.132 0.000 0.251) 0.284 11.392 ( 0.165 0.000 -0.448) 0.477 11.437 ( -0.300 0.000 0.662) 0.727 11.450 ( -0.020 0.000 -0.473) 0.474 12.301 ( -0.224 0.000 0.784) 0.816 12.317 ( 0.089 0.000 -0.665) 0.671 12.356 ( -0.266 0.000 0.271) 0.380 12.362 ( 0.230 0.000 -0.349) 0.418 12.481 ( 0.177 0.000 0.830) 0.849 12.497 ( -0.324 0.000 -0.672) 0.746 12.531 ( -0.455 0.000 0.621) 0.770 12.541 ( 0.430 0.000 -0.319) 0.536 12.700 ( 1.421 0.000 1.760) 2.262 12.722 ( 1.227 0.000 1.729) 2.121 12.737 ( -1.466 0.000 -1.721) 2.261 12.761 ( -1.264 0.000 -1.743) 2.153 13.149 ( 0.267 0.000 0.045) 0.271 13.150 ( -0.516 0.000 -0.085) 0.523 13.170 ( 0.235 0.000 0.250) 0.343 13.171 ( -0.100 0.000 0.202) 0.226 13.484 ( -1.423 0.000 0.480) 1.502 13.491 ( 1.102 0.000 0.826) 1.377 13.508 ( 1.271 0.000 0.378) 1.326 13.539 ( -0.900 0.000 -1.647) 1.877 13.658 ( 0.864 0.000 1.477) 1.712 13.694 ( -0.741 0.000 -1.698) 1.853 13.715 ( 0.374 0.000 1.066) 1.129 13.731 ( -0.432 0.000 -0.452) 0.626 ======================= Grid point 111 (55/78) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -7.506 0.000 3.824) 8.424 1.369 ( -16.564 0.000 3.713) 16.975 1.493 ( 1.901 0.000 -3.750) 4.205 1.598 ( -2.482 0.000 -6.944) 7.374 1.610 ( -5.819 0.000 5.889) 8.279 1.772 ( 4.716 0.000 -6.520) 8.047 1.815 ( 7.919 0.000 6.423) 10.196 1.859 ( 6.446 0.000 -0.422) 6.459 2.019 ( -5.913 0.000 1.652) 6.139 2.059 ( -4.662 0.000 -9.069) 10.197 2.136 ( 0.371 0.000 12.466) 12.472 2.217 ( -7.424 0.000 -4.298) 8.578 2.308 ( -5.599 0.000 -1.422) 5.777 2.327 ( -5.154 0.000 6.385) 8.206 2.359 ( 1.602 0.000 1.623) 2.280 2.397 ( -5.877 0.000 -4.043) 7.133 2.444 ( 9.487 0.000 -0.951) 9.534 2.474 ( -5.911 0.000 2.894) 6.582 2.486 ( -9.341 0.000 -2.937) 9.791 2.629 ( 4.131 0.000 -3.125) 5.180 2.666 ( -4.844 0.000 -1.372) 5.034 2.821 ( 6.965 0.000 -5.407) 8.818 2.834 ( -7.954 0.000 2.915) 8.472 2.905 ( 7.404 0.000 2.747) 7.897 2.947 ( 3.233 0.000 -9.185) 9.737 2.962 ( 7.995 0.000 -1.611) 8.155 2.997 ( -0.882 0.000 0.841) 1.218 3.057 ( 0.417 0.000 0.664) 0.784 3.099 ( -1.239 0.000 4.009) 4.196 3.164 ( -0.589 0.000 5.007) 5.042 3.165 ( 4.967 0.000 2.775) 5.689 3.421 ( 2.948 0.000 -4.153) 5.093 3.471 ( 4.953 0.000 3.430) 6.025 3.479 ( -0.358 0.000 1.467) 1.510 3.627 ( -1.529 0.000 -4.033) 4.314 3.687 ( 1.914 0.000 3.347) 3.855 3.790 ( -3.599 0.000 -2.263) 4.251 3.831 ( -0.038 0.000 0.914) 0.915 4.052 ( -0.240 0.000 3.634) 3.642 4.094 ( 1.544 0.000 -4.222) 4.495 4.274 ( -2.278 0.000 0.460) 2.323 4.326 ( 1.047 0.000 1.817) 2.097 6.368 ( 0.094 0.000 -0.097) 0.135 6.382 ( 0.717 0.000 -0.070) 0.721 6.396 ( 0.012 0.000 0.036) 0.038 6.407 ( 0.532 0.000 0.242) 0.585 6.780 ( -0.849 0.000 0.470) 0.970 6.823 ( 1.614 0.000 -1.425) 2.153 6.876 ( -0.979 0.000 1.371) 1.684 6.917 ( 1.477 0.000 -1.233) 1.924 7.149 ( -0.070 0.000 0.709) 0.713 7.150 ( 0.009 0.000 -1.558) 1.558 7.180 ( -1.460 0.000 2.326) 2.746 7.223 ( 0.933 0.000 -0.557) 1.087 7.719 ( 2.926 0.000 -0.642) 2.995 7.727 ( 3.708 0.000 0.086) 3.709 7.803 ( 1.879 0.000 -2.192) 2.888 7.829 ( 2.754 0.000 1.850) 3.318 8.055 ( 1.123 0.000 -2.195) 2.465 8.063 ( 1.304 0.000 1.986) 2.376 8.153 ( -0.611 0.000 1.806) 1.906 8.154 ( -0.419 0.000 -0.974) 1.061 8.779 ( 0.572 0.000 0.449) 0.727 8.781 ( 0.727 0.000 -0.625) 0.959 8.856 ( -0.016 0.000 -0.363) 0.364 8.866 ( 0.592 0.000 0.492) 0.770 8.981 ( -1.718 0.000 0.698) 1.854 9.009 ( 0.048 0.000 -0.550) 0.552 9.018 ( -1.302 0.000 0.634) 1.448 9.024 ( -0.884 0.000 -0.966) 1.310 9.934 ( -0.292 0.000 0.857) 0.905 9.934 ( -0.257 0.000 -0.614) 0.665 10.016 ( -0.988 0.000 -1.154) 1.519 10.032 ( -0.042 0.000 1.223) 1.224 11.388 ( 0.204 0.000 0.290) 0.354 11.394 ( 0.530 0.000 -0.333) 0.626 11.443 ( -0.049 0.000 0.852) 0.853 11.447 ( 0.207 0.000 -0.371) 0.425 12.306 ( -0.159 0.000 0.790) 0.806 12.312 ( 0.189 0.000 -0.592) 0.622 12.353 ( -0.471 0.000 0.414) 0.627 12.361 ( 0.028 0.000 -0.351) 0.353 12.478 ( -1.164 0.000 -0.651) 1.334 12.486 ( -0.651 0.000 0.886) 1.099 12.520 ( -1.607 0.000 0.457) 1.670 12.535 ( -0.706 0.000 -0.392) 0.808 12.695 ( -1.376 0.000 -1.640) 2.140 12.721 ( -1.246 0.000 -1.751) 2.149 12.742 ( 1.430 0.000 1.697) 2.219 12.761 ( 1.168 0.000 1.819) 2.162 13.144 ( -0.353 0.000 0.177) 0.395 13.156 ( 0.365 0.000 0.150) 0.394 13.169 ( -0.250 0.000 -0.131) 0.282 13.174 ( 0.030 0.000 -0.034) 0.045 13.462 ( -1.782 0.000 0.698) 1.914 13.500 ( -1.590 0.000 -1.750) 2.365 13.504 ( 0.233 0.000 -0.321) 0.397 13.531 ( 0.199 0.000 1.313) 1.328 13.666 ( -0.469 0.000 -1.771) 1.832 13.694 ( 1.453 0.000 1.562) 2.134 13.721 ( -0.204 0.000 -0.713) 0.741 13.737 ( 1.189 0.000 0.819) 1.444 ======================= Grid point 112 (56/78) ======================= q-point: (-0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -21.713 0.000 -5.966) 22.518 1.186 ( -15.376 0.000 2.538) 15.584 1.524 ( 3.869 0.000 2.053) 4.380 1.530 ( 0.025 0.000 -2.353) 2.353 1.597 ( -4.456 0.000 5.106) 6.777 1.698 ( -1.269 0.000 -10.043) 10.123 1.799 ( -17.955 0.000 -10.874) 20.991 1.938 ( 3.207 0.000 -0.239) 3.216 1.944 ( -9.161 0.000 1.348) 9.259 2.007 ( -4.818 0.000 7.489) 8.905 2.039 ( 4.430 0.000 2.243) 4.966 2.188 ( -3.379 0.000 3.089) 4.578 2.230 ( -6.157 0.000 3.705) 7.186 2.261 ( -7.298 0.000 -7.541) 10.494 2.279 ( 0.846 0.000 -5.226) 5.294 2.318 ( -3.945 0.000 -5.350) 6.647 2.423 ( 1.360 0.000 11.617) 11.697 2.453 ( 2.066 0.000 0.650) 2.166 2.524 ( 3.154 0.000 -5.785) 6.589 2.685 ( 6.807 0.000 1.217) 6.915 2.710 ( 7.125 0.000 0.923) 7.185 2.751 ( -6.922 0.000 4.717) 8.376 2.836 ( 0.768 0.000 -4.384) 4.451 2.875 ( -5.478 0.000 -2.727) 6.119 2.942 ( 7.507 0.000 -8.630) 11.438 3.025 ( 3.716 0.000 -3.413) 5.046 3.040 ( 0.125 0.000 7.295) 7.296 3.107 ( 2.692 0.000 0.764) 2.798 3.137 ( -3.699 0.000 7.531) 8.391 3.218 ( -3.902 0.000 3.094) 4.980 3.349 ( 5.435 0.000 7.264) 9.072 3.431 ( 0.721 0.000 -0.462) 0.856 3.433 ( 4.476 0.000 -2.137) 4.960 3.545 ( -1.027 0.000 1.079) 1.490 3.647 ( 4.137 0.000 0.111) 4.138 3.730 ( 0.725 0.000 -0.319) 0.792 3.754 ( 3.015 0.000 1.024) 3.184 3.830 ( 0.841 0.000 -0.704) 1.096 4.073 ( 1.555 0.000 -4.286) 4.560 4.089 ( 0.906 0.000 2.216) 2.394 4.257 ( -1.362 0.000 2.099) 2.502 4.355 ( 0.981 0.000 0.426) 1.069 6.375 ( 0.761 0.000 0.041) 0.762 6.392 ( 0.528 0.000 0.097) 0.536 6.401 ( 0.412 0.000 0.255) 0.485 6.414 ( 0.202 0.000 -0.087) 0.220 6.778 ( -0.210 0.000 0.790) 0.818 6.828 ( 1.232 0.000 -1.771) 2.157 6.875 ( -0.791 0.000 1.063) 1.325 6.923 ( 1.307 0.000 -1.930) 2.331 7.137 ( 0.323 0.000 -1.231) 1.273 7.150 ( -0.525 0.000 0.485) 0.715 7.185 ( -1.192 0.000 2.446) 2.721 7.242 ( 1.239 0.000 0.493) 1.334 7.769 ( 3.684 0.000 -0.398) 3.706 7.799 ( 4.829 0.000 -0.040) 4.829 7.826 ( 3.408 0.000 -1.793) 3.851 7.874 ( 0.702 0.000 0.737) 1.017 8.079 ( 4.116 0.000 -1.010) 4.238 8.100 ( 1.194 0.000 0.627) 1.348 8.144 ( 0.514 0.000 -0.678) 0.851 8.169 ( 0.185 0.000 2.578) 2.585 8.790 ( 1.127 0.000 -0.500) 1.233 8.798 ( 0.895 0.000 0.883) 1.257 8.857 ( 0.422 0.000 -0.011) 0.422 8.878 ( 0.463 0.000 -0.033) 0.464 8.957 ( -2.205 0.000 0.874) 2.371 8.992 ( -1.345 0.000 -1.370) 1.920 8.996 ( -2.092 0.000 0.465) 2.143 9.000 ( -0.425 0.000 -0.466) 0.630 9.925 ( -0.296 0.000 -0.348) 0.457 9.938 ( -0.520 0.000 1.081) 1.200 9.987 ( -1.096 0.000 -1.143) 1.583 10.036 ( -0.497 0.000 0.383) 0.628 11.398 ( 0.457 0.000 0.479) 0.662 11.400 ( 0.679 0.000 -0.459) 0.820 11.450 ( 0.470 0.000 0.062) 0.475 11.451 ( -0.014 0.000 0.797) 0.797 12.311 ( -0.206 0.000 0.624) 0.657 12.311 ( 0.442 0.000 -0.417) 0.608 12.351 ( -0.409 0.000 0.600) 0.727 12.355 ( -0.214 0.000 -0.525) 0.567 12.448 ( -1.588 0.000 -0.538) 1.677 12.479 ( -1.293 0.000 0.748) 1.493 12.493 ( -2.233 0.000 0.438) 2.275 12.514 ( -1.277 0.000 -0.373) 1.331 12.664 ( -0.755 0.000 -0.947) 1.211 12.690 ( -0.704 0.000 -0.942) 1.176 12.776 ( 0.892 0.000 1.044) 1.373 12.793 ( 0.674 0.000 1.149) 1.332 13.142 ( -0.391 0.000 0.432) 0.583 13.152 ( -0.710 0.000 -0.405) 0.818 13.167 ( 0.038 0.000 -0.005) 0.039 13.170 ( -0.252 0.000 -0.237) 0.346 13.445 ( -1.165 0.000 0.045) 1.166 13.463 ( -1.144 0.000 -0.057) 1.145 13.493 ( -0.782 0.000 -0.828) 1.139 13.537 ( -0.780 0.000 0.859) 1.160 13.643 ( -0.264 0.000 -1.132) 1.162 13.711 ( -0.063 0.000 -0.657) 0.660 13.731 ( 1.547 0.000 0.831) 1.756 13.771 ( 1.909 0.000 0.566) 1.992 ======================= Grid point 113 (57/78) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( -19.953 0.000 0.907) 19.974 0.943 ( -19.859 0.000 7.393) 21.190 1.391 ( -22.474 0.000 0.706) 22.485 1.533 ( -7.471 0.000 1.099) 7.552 1.536 ( 1.317 0.000 -1.113) 1.725 1.567 ( -1.173 0.000 -7.781) 7.868 1.668 ( 3.576 0.000 8.288) 9.027 1.726 ( -13.425 0.000 -1.147) 13.474 1.883 ( -7.768 0.000 -7.289) 10.652 2.032 ( -0.858 0.000 -8.592) 8.635 2.048 ( 1.101 0.000 3.834) 3.989 2.131 ( -1.571 0.000 -3.594) 3.922 2.137 ( 3.120 0.000 -4.793) 5.719 2.227 ( -3.984 0.000 3.473) 5.285 2.273 ( 5.360 0.000 8.479) 10.031 2.317 ( 1.232 0.000 -0.788) 1.462 2.486 ( 3.469 0.000 -0.730) 3.545 2.568 ( 6.344 0.000 5.513) 8.405 2.616 ( 2.649 0.000 5.112) 5.757 2.699 ( -4.586 0.000 3.219) 5.603 2.743 ( -2.268 0.000 -5.155) 5.632 2.759 ( -6.519 0.000 0.129) 6.520 2.805 ( 3.822 0.000 -2.802) 4.739 2.813 ( 5.160 0.000 -1.647) 5.416 2.896 ( 0.245 0.000 -9.220) 9.223 3.029 ( -6.060 0.000 -1.452) 6.232 3.075 ( -6.669 0.000 4.796) 8.215 3.114 ( 5.949 0.000 -0.570) 5.977 3.154 ( 0.197 0.000 6.096) 6.100 3.240 ( 4.356 0.000 1.143) 4.504 3.363 ( -3.120 0.000 8.278) 8.847 3.398 ( -5.762 0.000 -2.054) 6.117 3.578 ( 3.916 0.000 1.711) 4.273 3.615 ( 7.903 0.000 1.627) 8.068 3.686 ( 2.291 0.000 1.033) 2.513 3.759 ( 1.542 0.000 -0.489) 1.617 3.821 ( 4.928 0.000 -0.537) 4.957 3.852 ( 2.031 0.000 -2.432) 3.168 4.064 ( 3.089 0.000 -3.684) 4.808 4.128 ( 1.347 0.000 1.506) 2.020 4.265 ( -1.267 0.000 2.686) 2.970 4.363 ( 0.760 0.000 -1.553) 1.729 6.391 ( 1.009 0.000 0.124) 1.016 6.402 ( 0.393 0.000 0.444) 0.593 6.412 ( 0.455 0.000 0.541) 0.707 6.416 ( 0.210 0.000 0.065) 0.220 6.788 ( 0.164 0.000 1.106) 1.118 6.834 ( 1.705 0.000 -1.108) 2.033 6.871 ( -1.000 0.000 0.777) 1.266 6.916 ( 0.584 0.000 -2.409) 2.479 7.142 ( 1.670 0.000 -0.563) 1.762 7.144 ( -0.770 0.000 0.504) 0.921 7.190 ( -1.044 0.000 1.852) 2.126 7.262 ( 1.010 0.000 -0.747) 1.256 7.823 ( 2.954 0.000 0.735) 3.044 7.857 ( 2.904 0.000 -1.326) 3.193 7.871 ( -1.160 0.000 0.155) 1.170 7.874 ( 3.204 0.000 0.549) 3.251 8.118 ( 1.393 0.000 -0.327) 1.431 8.140 ( 3.616 0.000 -1.611) 3.959 8.166 ( 2.847 0.000 0.745) 2.943 8.211 ( 1.235 0.000 2.501) 2.789 8.804 ( 1.183 0.000 -0.448) 1.265 8.823 ( 0.814 0.000 1.067) 1.342 8.867 ( 0.652 0.000 0.131) 0.665 8.877 ( -0.032 0.000 -0.807) 0.807 8.931 ( -2.330 0.000 1.085) 2.571 8.958 ( -0.982 0.000 -1.384) 1.697 8.966 ( -2.038 0.000 0.532) 2.106 8.989 ( -0.337 0.000 -0.603) 0.691 9.918 ( -0.203 0.000 -0.211) 0.293 9.939 ( -0.760 0.000 1.053) 1.298 9.961 ( -0.770 0.000 -0.899) 1.183 10.024 ( -0.775 0.000 -0.882) 1.175 11.405 ( 0.643 0.000 -0.445) 0.782 11.411 ( 0.435 0.000 0.496) 0.660 11.458 ( -0.138 0.000 0.744) 0.757 11.461 ( 0.577 0.000 0.301) 0.651 12.313 ( -0.219 0.000 0.353) 0.415 12.317 ( 0.661 0.000 -0.281) 0.719 12.345 ( -0.218 0.000 -0.664) 0.699 12.351 ( -0.327 0.000 0.379) 0.500 12.418 ( -1.417 0.000 -0.622) 1.547 12.461 ( -1.618 0.000 0.299) 1.645 12.464 ( -1.859 0.000 0.617) 1.958 12.489 ( -1.300 0.000 -0.313) 1.338 12.654 ( 0.104 0.000 0.160) 0.191 12.681 ( 0.003 0.000 0.259) 0.259 12.790 ( 0.055 0.000 -0.001) 0.055 12.805 ( 0.022 0.000 0.129) 0.131 13.134 ( -0.866 0.000 -0.349) 0.934 13.137 ( -0.779 0.000 0.355) 0.856 13.161 ( -0.553 0.000 -0.216) 0.594 13.162 ( -0.447 0.000 -0.314) 0.546 13.423 ( -0.768 0.000 -0.830) 1.131 13.467 ( -0.980 0.000 -1.187) 1.539 13.467 ( -0.108 0.000 1.724) 1.728 13.528 ( -0.961 0.000 0.292) 1.004 13.639 ( 0.379 0.000 0.430) 0.573 13.708 ( 0.314 0.000 -0.198) 0.371 13.758 ( 1.176 0.000 -0.049) 1.177 13.801 ( 1.437 0.000 -0.192) 1.450 ======================= Grid point 114 (58/78) ======================= q-point: (-0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( 2.402 0.000 21.906) 22.037 0.770 ( -14.138 0.000 14.428) 20.201 1.167 ( -15.530 0.000 16.956) 22.993 1.404 ( -6.165 0.000 -1.860) 6.440 1.447 ( -3.328 0.000 -4.541) 5.630 1.469 ( -10.857 0.000 -7.781) 13.358 1.563 ( -3.957 0.000 -4.603) 6.070 1.674 ( 3.311 0.000 -10.223) 10.745 1.782 ( 2.253 0.000 3.280) 3.979 1.944 ( -2.381 0.000 -4.122) 4.760 2.120 ( -3.253 0.000 0.839) 3.359 2.143 ( 2.663 0.000 -5.876) 6.451 2.167 ( 0.361 0.000 3.131) 3.152 2.261 ( 7.764 0.000 8.592) 11.580 2.323 ( 2.733 0.000 -0.129) 2.736 2.417 ( 4.236 0.000 -0.127) 4.238 2.467 ( -7.193 0.000 -7.323) 10.265 2.593 ( -6.492 0.000 4.741) 8.039 2.611 ( 4.040 0.000 -4.228) 5.848 2.675 ( 0.157 0.000 -2.785) 2.789 2.679 ( -5.759 0.000 5.301) 7.828 2.745 ( 0.890 0.000 -4.990) 5.068 2.783 ( 3.693 0.000 3.193) 4.882 2.844 ( 3.748 0.000 -0.554) 3.788 2.916 ( 1.518 0.000 -0.237) 1.537 2.962 ( 0.443 0.000 0.302) 0.536 3.036 ( -0.927 0.000 0.901) 1.293 3.140 ( -5.517 0.000 -2.325) 5.987 3.223 ( -1.994 0.000 7.895) 8.143 3.279 ( 1.767 0.000 0.536) 1.846 3.390 ( 6.378 0.000 1.715) 6.604 3.418 ( -1.780 0.000 8.613) 8.794 3.636 ( -0.452 0.000 -0.642) 0.786 3.651 ( 3.455 0.000 0.115) 3.456 3.748 ( -0.337 0.000 -3.127) 3.145 3.748 ( -2.779 0.000 -3.331) 4.338 3.842 ( 2.237 0.000 2.732) 3.532 3.887 ( 3.394 0.000 -0.322) 3.410 4.093 ( 3.845 0.000 -2.232) 4.446 4.150 ( -0.348 0.000 0.539) 0.642 4.267 ( -1.786 0.000 2.520) 3.089 4.351 ( 0.710 0.000 -2.745) 2.835 6.406 ( 0.656 0.000 0.089) 0.662 6.411 ( 0.158 0.000 0.404) 0.434 6.424 ( 0.609 0.000 0.076) 0.614 6.424 ( 0.165 0.000 0.698) 0.717 6.804 ( 0.239 0.000 1.259) 1.281 6.857 ( 2.584 0.000 -1.731) 3.111 6.858 ( -1.598 0.000 0.708) 1.748 6.892 ( -0.231 0.000 -2.445) 2.455 7.139 ( -0.750 0.000 0.992) 1.244 7.173 ( 2.454 0.000 -0.813) 2.585 7.191 ( -0.710 0.000 1.211) 1.404 7.251 ( -0.181 0.000 -2.480) 2.486 7.852 ( -1.003 0.000 0.116) 1.009 7.877 ( 1.374 0.000 -1.320) 1.905 7.878 ( 1.876 0.000 1.875) 2.652 7.916 ( 0.984 0.000 0.839) 1.293 8.144 ( 2.070 0.000 -0.297) 2.091 8.162 ( 1.400 0.000 -0.976) 1.707 8.227 ( 3.105 0.000 0.437) 3.135 8.247 ( 0.437 0.000 1.526) 1.587 8.817 ( 0.970 0.000 -0.284) 1.011 8.843 ( 0.281 0.000 0.973) 1.012 8.862 ( -0.162 0.000 -1.333) 1.343 8.876 ( 0.125 0.000 -0.137) 0.185 8.909 ( -1.638 0.000 1.150) 2.002 8.935 ( -0.211 0.000 -1.168) 1.187 8.946 ( -1.346 0.000 0.900) 1.619 8.977 ( -0.015 0.000 -0.924) 0.925 9.916 ( 0.070 0.000 0.074) 0.102 9.935 ( -0.899 0.000 0.815) 1.213 9.945 ( -0.084 0.000 -0.645) 0.650 9.992 ( -1.253 0.000 -1.944) 2.313 11.411 ( 0.472 0.000 -0.196) 0.511 11.419 ( 0.131 0.000 0.209) 0.246 11.463 ( -0.345 0.000 0.850) 0.917 11.473 ( 0.472 0.000 0.158) 0.498 12.312 ( -0.102 0.000 0.174) 0.201 12.322 ( 0.323 0.000 -0.414) 0.526 12.336 ( 0.085 0.000 -0.689) 0.695 12.348 ( -0.385 0.000 -0.139) 0.409 12.391 ( -0.995 0.000 -0.297) 1.038 12.436 ( -1.541 0.000 -0.159) 1.549 12.445 ( -1.350 0.000 0.610) 1.481 12.467 ( -0.930 0.000 -0.422) 1.021 12.670 ( 0.844 0.000 1.313) 1.561 12.695 ( 0.643 0.000 1.335) 1.482 12.779 ( -0.661 0.000 -1.110) 1.292 12.796 ( -0.614 0.000 -0.952) 1.132 13.122 ( -0.269 0.000 -0.095) 0.285 13.125 ( -0.980 0.000 0.159) 0.993 13.149 ( -0.474 0.000 -0.460) 0.661 13.151 ( -0.532 0.000 0.023) 0.533 13.407 ( -0.464 0.000 -0.267) 0.536 13.441 ( -0.496 0.000 -1.389) 1.475 13.484 ( 0.019 0.000 1.471) 1.472 13.517 ( -0.459 0.000 -0.028) 0.460 13.667 ( 1.259 0.000 2.168) 2.507 13.717 ( 0.670 0.000 0.478) 0.824 13.765 ( 0.270 0.000 -0.735) 0.783 13.807 ( 0.189 0.000 -1.346) 1.359 ======================= Grid point 115 (59/78) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 1.334 5.081 18.376) 19.112 0.998 ( -0.379 6.822 13.146) 14.815 1.216 ( -0.992 -0.072 0.841) 1.302 1.239 ( -2.966 -7.561 2.703) 8.560 1.395 ( 0.011 8.296 -3.217) 8.898 1.461 ( 4.535 4.814 -5.126) 8.367 1.517 ( 1.877 8.149 -2.321) 8.678 1.685 ( -3.104 -0.787 -6.443) 7.195 1.784 ( -1.228 -7.047 2.653) 7.629 1.881 ( 0.776 -5.514 -5.042) 7.512 1.920 ( 1.565 -0.910 1.596) 2.414 2.017 ( -0.421 -2.381 -6.775) 7.194 2.211 ( -1.512 1.487 1.000) 2.344 2.253 ( -3.103 0.013 -0.431) 3.132 2.325 ( 0.655 -2.589 2.600) 3.727 2.381 ( 2.689 1.311 -1.993) 3.595 2.516 ( 0.777 -1.553 1.632) 2.383 2.555 ( 1.307 -2.823 0.194) 3.116 2.675 ( 3.101 -1.149 3.904) 5.116 2.702 ( -4.190 3.703 0.733) 5.639 2.732 ( -3.726 3.981 -0.964) 5.537 2.738 ( 4.929 0.642 -2.952) 5.781 2.861 ( 0.312 0.909 0.619) 1.143 2.914 ( 3.238 2.515 -2.833) 4.984 2.939 ( 1.135 1.587 1.724) 2.604 2.968 ( -0.950 -0.228 -0.062) 0.979 3.015 ( -3.047 -1.606 -0.029) 3.445 3.027 ( -0.042 -0.535 -1.311) 1.416 3.262 ( -4.519 1.258 3.790) 6.030 3.281 ( 3.490 -3.821 1.932) 5.524 3.445 ( 0.865 -4.450 1.260) 4.705 3.466 ( -0.873 -1.805 -0.167) 2.012 3.568 ( -1.303 -2.274 4.765) 5.438 3.628 ( 0.628 -1.980 0.320) 2.102 3.687 ( -0.332 1.620 0.577) 1.751 3.717 ( 1.040 0.564 -1.308) 1.764 3.970 ( 0.027 4.710 -0.046) 4.710 3.981 ( -0.944 4.837 -1.407) 5.125 4.102 ( -0.721 -1.373 -0.157) 1.559 4.121 ( 0.930 -1.387 -2.061) 2.653 4.277 ( -1.364 0.951 2.387) 2.909 4.324 ( -0.060 -0.720 -1.986) 2.113 6.412 ( 0.002 -0.000 0.202) 0.202 6.413 ( -0.086 -0.041 0.204) 0.225 6.428 ( -0.172 -0.153 0.360) 0.427 6.431 ( 0.190 -0.205 0.100) 0.297 6.827 ( 0.121 0.488 1.254) 1.351 6.840 ( -1.826 0.206 0.858) 2.029 6.861 ( 0.175 0.140 -1.917) 1.930 6.874 ( 2.054 -0.305 -2.316) 3.111 7.134 ( -0.588 -0.552 1.151) 1.406 7.152 ( 0.512 -1.692 -0.304) 1.794 7.218 ( 0.110 0.745 0.064) 0.756 7.222 ( -0.875 0.353 -0.443) 1.043 7.852 ( -0.250 0.645 0.663) 0.958 7.874 ( 0.231 0.016 -1.203) 1.225 7.912 ( 0.400 -0.372 1.012) 1.150 7.923 ( 0.023 -0.497 0.096) 0.507 8.162 ( 0.089 -0.066 -0.292) 0.312 8.163 ( -0.330 -0.072 -0.376) 0.506 8.259 ( -0.763 0.362 0.890) 1.227 8.266 ( 0.802 0.084 0.230) 0.838 8.830 ( 0.501 0.125 0.028) 0.517 8.836 ( -0.534 -0.130 -0.321) 0.637 8.868 ( 0.477 0.454 -0.074) 0.663 8.872 ( -0.534 0.375 -0.285) 0.712 8.908 ( -0.326 0.183 0.940) 1.012 8.926 ( 0.287 0.042 -0.577) 0.646 8.937 ( -0.418 -0.412 0.802) 0.994 8.962 ( 0.544 -0.813 -1.153) 1.512 9.925 ( 0.474 0.042 0.700) 0.847 9.928 ( -0.511 -0.071 0.598) 0.789 9.945 ( 0.370 0.083 -0.692) 0.789 9.951 ( -0.655 -0.183 -1.417) 1.572 11.418 ( 0.141 0.120 0.003) 0.185 11.419 ( -0.155 0.032 -0.077) 0.176 11.468 ( -0.420 0.254 0.793) 0.933 11.478 ( 0.127 -0.113 -0.022) 0.172 12.315 ( -0.300 0.211 0.305) 0.477 12.323 ( 0.123 0.331 -0.438) 0.563 12.327 ( -0.796 -0.293 0.033) 0.849 12.334 ( 0.626 -0.133 -0.552) 0.846 12.398 ( 0.764 0.190 0.648) 1.020 12.409 ( -0.623 -0.177 -0.260) 0.697 12.440 ( -0.314 0.115 0.607) 0.693 12.451 ( -0.134 -0.268 -0.396) 0.497 12.708 ( 1.143 0.320 1.853) 2.201 12.723 ( 0.987 -0.331 1.711) 2.003 12.752 ( -1.098 0.351 -1.618) 1.987 12.765 ( -1.133 -0.212 -1.651) 2.013 13.118 ( -0.391 0.275 0.292) 0.560 13.126 ( 0.409 0.188 -0.436) 0.627 13.139 ( -0.151 -0.224 0.110) 0.292 13.143 ( 0.106 -0.168 -0.283) 0.346 13.406 ( -0.105 0.305 0.289) 0.433 13.420 ( 0.011 -0.252 -0.947) 0.980 13.499 ( 0.007 0.169 0.738) 0.757 13.510 ( 0.025 -0.253 -0.222) 0.338 13.717 ( 1.203 0.186 2.396) 2.687 13.731 ( 0.712 -0.457 1.444) 1.673 13.759 ( -0.741 0.529 -1.298) 1.586 13.777 ( -1.046 -0.284 -2.143) 2.401 ======================= Grid point 116 (60/78) ======================= q-point: ( 0.10 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 3.008 3.671 -4.156) 6.308 1.143 ( 8.663 6.263 2.760) 11.040 1.240 ( 1.940 0.264 -6.108) 6.414 1.310 ( 2.159 3.105 10.165) 10.846 1.326 ( 0.386 1.546 1.415) 2.131 1.435 ( 2.251 3.055 1.029) 3.932 1.518 ( 1.548 -2.889 -6.567) 7.340 1.662 ( 2.753 -1.402 2.180) 3.781 1.828 ( -0.903 -9.213 -1.807) 9.432 1.887 ( 6.174 3.148 -0.560) 6.953 1.961 ( 3.228 -0.055 -0.396) 3.253 2.055 ( 8.558 -0.625 0.333) 8.587 2.215 ( 0.415 1.261 5.050) 5.222 2.250 ( -2.184 -2.770 2.071) 4.090 2.302 ( 0.217 0.828 -1.788) 1.983 2.400 ( 0.711 2.271 -4.809) 5.366 2.480 ( -4.700 -1.532 -2.609) 5.590 2.547 ( 1.198 -0.067 2.571) 2.837 2.668 ( -2.080 1.094 0.145) 2.355 2.699 ( 3.829 1.334 0.896) 4.153 2.755 ( 1.457 -2.296 1.835) 3.281 2.781 ( -4.960 2.795 -3.865) 6.881 2.838 ( 1.182 2.108 -2.661) 3.595 2.908 ( -1.336 1.896 -1.568) 2.800 2.922 ( 1.701 1.985 1.225) 2.888 2.953 ( -2.725 -0.177 -0.844) 2.858 3.015 ( 0.932 -0.715 0.404) 1.242 3.094 ( 8.350 -1.151 2.376) 8.758 3.219 ( -4.112 -0.487 1.359) 4.358 3.363 ( 4.532 -3.567 0.192) 5.771 3.399 ( -4.038 0.725 -0.973) 4.216 3.484 ( -0.222 -5.021 0.916) 5.108 3.557 ( -2.864 -1.932 1.979) 3.981 3.623 ( -3.267 -0.076 -1.807) 3.734 3.670 ( -0.117 -1.597 1.284) 2.052 3.707 ( -1.249 1.246 -1.808) 2.527 3.927 ( -4.364 3.831 0.523) 5.830 3.958 ( -2.595 3.602 1.127) 4.581 4.056 ( -3.457 -0.137 0.089) 3.461 4.132 ( 0.928 -2.559 -0.861) 2.856 4.287 ( -1.040 0.703 3.022) 3.272 4.307 ( -0.039 -0.350 -0.786) 0.861 6.409 ( -0.523 0.119 -0.096) 0.545 6.411 ( -0.428 0.061 0.229) 0.489 6.425 ( -0.483 -0.163 0.038) 0.511 6.430 ( -0.292 -0.327 -0.054) 0.441 6.821 ( -1.705 0.302 1.228) 2.123 6.833 ( -0.505 -0.326 -0.030) 0.602 6.855 ( 0.721 0.794 -0.197) 1.090 6.883 ( 1.566 -0.278 -1.716) 2.340 7.134 ( -0.816 -0.406 0.854) 1.249 7.151 ( 0.160 -1.174 -0.675) 1.364 7.214 ( -0.103 0.530 0.437) 0.695 7.222 ( 0.138 0.410 0.456) 0.628 7.856 ( -0.530 0.567 0.654) 1.015 7.870 ( 0.600 0.499 -0.675) 1.032 7.904 ( -1.643 -0.612 -0.625) 1.861 7.917 ( -0.926 -0.714 -0.065) 1.171 8.141 ( -1.971 -0.013 0.080) 1.973 8.146 ( -2.045 -0.170 0.317) 2.077 8.237 ( -2.572 0.830 0.241) 2.713 8.264 ( -0.904 -0.294 -0.203) 0.972 8.822 ( -0.670 0.321 -0.325) 0.811 8.839 ( 0.344 -0.201 0.413) 0.574 8.860 ( -0.514 0.395 -0.296) 0.712 8.873 ( -0.106 0.095 0.227) 0.268 8.917 ( 0.275 0.216 0.802) 0.874 8.934 ( 1.554 0.273 -0.728) 1.738 8.946 ( 0.314 -0.596 1.037) 1.237 8.964 ( 1.233 -0.636 -1.162) 1.809 9.922 ( -0.388 0.223 -0.049) 0.450 9.935 ( 0.072 -0.265 -0.210) 0.345 9.950 ( 1.150 0.019 0.540) 1.271 9.953 ( 1.089 -0.087 0.155) 1.104 11.413 ( -0.470 0.163 -0.085) 0.504 11.419 ( -0.107 -0.071 0.108) 0.167 11.467 ( -0.619 0.250 0.666) 0.943 11.476 ( -0.135 -0.097 -0.223) 0.278 12.314 ( -0.356 0.164 0.471) 0.613 12.319 ( -0.155 0.303 0.142) 0.369 12.326 ( 0.194 -0.010 -0.002) 0.194 12.342 ( 0.812 -0.364 -0.214) 0.915 12.400 ( 0.382 0.507 -0.415) 0.759 12.426 ( 1.689 -0.252 0.306) 1.735 12.448 ( 0.526 -0.178 0.409) 0.690 12.457 ( 1.050 -0.157 0.167) 1.075 12.709 ( -1.281 0.274 -1.846) 2.264 12.724 ( -1.021 -0.406 -1.526) 1.880 12.750 ( 0.947 0.403 1.679) 1.969 12.763 ( 0.973 -0.165 1.849) 2.096 13.120 ( 0.200 0.274 0.381) 0.510 13.131 ( 0.706 -0.027 -0.329) 0.780 13.143 ( 0.446 -0.127 0.063) 0.468 13.148 ( 0.663 -0.153 -0.066) 0.683 13.414 ( 0.385 0.061 0.322) 0.506 13.415 ( 0.385 0.055 -0.195) 0.435 13.508 ( 0.259 -0.060 -0.287) 0.391 13.509 ( 0.396 -0.070 0.245) 0.471 13.719 ( -1.508 0.141 -2.014) 2.520 13.730 ( -1.388 -0.351 -1.540) 2.103 13.751 ( 0.081 0.399 1.233) 1.299 13.765 ( 0.364 -0.220 2.133) 2.175 ======================= Grid point 117 (61/78) ======================= q-point: ( 0.20 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 5.325 6.604 -14.269) 16.601 1.197 ( 7.939 8.530 -6.209) 13.204 1.238 ( 2.087 -6.137 -1.316) 6.614 1.428 ( 3.504 3.251 8.440) 9.699 1.468 ( 7.646 -1.563 4.394) 8.956 1.557 ( -1.999 1.777 9.678) 10.041 1.644 ( 12.064 -5.337 2.038) 13.348 1.736 ( 5.471 -5.865 1.746) 8.208 1.817 ( 5.849 3.430 -0.411) 6.793 1.906 ( 0.798 4.300 -1.551) 4.640 2.052 ( 1.572 -0.446 3.413) 3.785 2.125 ( -2.671 -3.851 -1.327) 4.871 2.221 ( 8.081 -1.142 -5.343) 9.755 2.256 ( -4.446 4.094 -0.628) 6.077 2.301 ( 3.784 -1.135 -1.335) 4.170 2.368 ( 0.675 1.274 2.699) 3.060 2.491 ( -0.576 0.094 -0.811) 0.999 2.590 ( -0.019 1.473 -3.667) 3.951 2.643 ( -3.205 -2.703 4.905) 6.452 2.661 ( 0.699 0.246 2.079) 2.207 2.738 ( -4.780 -1.633 -0.164) 5.054 2.780 ( 0.001 2.602 2.018) 3.293 2.793 ( -2.995 4.111 -5.117) 7.215 2.821 ( -0.074 0.250 -2.949) 2.961 2.905 ( 1.577 -0.759 -4.268) 4.613 2.988 ( 3.311 -0.330 0.689) 3.398 3.100 ( 6.642 2.768 2.523) 7.626 3.140 ( -4.773 1.947 -1.579) 5.391 3.258 ( 7.141 -3.261 0.365) 7.859 3.327 ( -2.628 2.542 0.032) 3.656 3.371 ( -0.622 3.791 -6.122) 7.228 3.490 ( -1.161 -8.095 0.677) 8.206 3.527 ( -0.351 -1.845 -3.100) 3.625 3.549 ( -4.589 -4.773 1.267) 6.741 3.650 ( -2.333 0.894 -0.250) 2.511 3.682 ( -1.510 -3.233 2.378) 4.288 3.870 ( -4.638 3.629 2.550) 6.418 3.904 ( -4.783 3.559 -0.006) 5.962 4.006 ( -3.243 0.776 1.147) 3.526 4.125 ( -0.702 -3.136 -0.885) 3.333 4.299 ( -0.430 0.099 1.004) 1.096 4.307 ( -0.564 0.141 1.753) 1.847 6.395 ( -0.911 0.223 -0.219) 0.963 6.404 ( -0.665 0.024 0.125) 0.677 6.416 ( -0.538 -0.197 -0.114) 0.584 6.421 ( -0.628 -0.220 -0.141) 0.680 6.810 ( -1.272 0.149 0.932) 1.584 6.820 ( -0.235 -0.229 -1.037) 1.088 6.867 ( -0.088 0.443 1.126) 1.213 6.888 ( 0.675 -0.158 -0.676) 0.968 7.127 ( -0.729 0.135 0.405) 0.845 7.151 ( 0.671 -0.780 -0.512) 1.149 7.223 ( 0.514 0.153 0.157) 0.559 7.230 ( -0.024 0.082 0.598) 0.604 7.841 ( -2.433 0.571 0.596) 2.569 7.848 ( -3.274 0.381 -0.800) 3.392 7.880 ( 0.149 -0.333 -0.939) 1.007 7.883 ( -2.585 -0.448 -0.305) 2.642 8.108 ( -3.310 -0.104 0.955) 3.447 8.111 ( -2.033 -0.240 0.412) 2.088 8.190 ( -2.929 1.333 -0.250) 3.227 8.239 ( -1.401 -0.764 -0.746) 1.761 8.808 ( -0.777 0.636 -0.213) 1.027 8.846 ( -0.296 -0.585 -0.729) 0.980 8.849 ( -0.361 0.289 0.647) 0.795 8.871 ( -0.302 -0.010 0.277) 0.410 8.936 ( 0.959 0.348 0.961) 1.402 8.957 ( 2.084 -0.022 -0.679) 2.191 8.966 ( 0.928 -0.350 0.670) 1.197 8.976 ( 1.640 -0.341 -0.825) 1.867 9.919 ( 0.093 0.344 -0.071) 0.363 9.939 ( 0.525 -0.491 -0.045) 0.720 9.967 ( 1.194 0.420 -0.270) 1.294 9.986 ( 1.249 -0.410 1.563) 2.042 11.404 ( -0.668 0.284 0.055) 0.728 11.416 ( -0.350 -0.227 -0.044) 0.419 11.462 ( -0.737 0.252 0.384) 0.869 11.470 ( -0.305 -0.070 -0.265) 0.410 12.312 ( -0.551 0.349 0.473) 0.806 12.322 ( 0.312 0.486 0.130) 0.592 12.331 ( 0.309 -0.250 0.178) 0.435 12.351 ( 0.558 -0.507 -0.175) 0.775 12.414 ( 1.487 0.704 0.070) 1.647 12.456 ( 1.968 -0.791 -0.145) 2.127 12.467 ( 1.208 0.072 0.427) 1.284 12.481 ( 1.460 -0.146 0.282) 1.494 12.674 ( -0.940 0.397 -1.199) 1.575 12.693 ( -0.763 -0.418 -1.192) 1.476 12.780 ( 0.620 0.313 1.186) 1.374 12.792 ( 0.545 -0.164 1.180) 1.310 13.131 ( 0.605 0.258 0.369) 0.754 13.141 ( 0.785 -0.090 -0.038) 0.791 13.153 ( 0.512 -0.133 0.166) 0.555 13.158 ( 0.496 -0.172 -0.095) 0.534 13.418 ( 0.615 0.287 -0.102) 0.686 13.435 ( 0.962 -0.407 0.902) 1.380 13.505 ( 0.321 0.452 -0.881) 1.041 13.524 ( 0.960 -0.328 0.183) 1.031 13.672 ( -1.328 0.393 -1.862) 2.321 13.698 ( -1.100 -0.712 -0.483) 1.396 13.758 ( -0.652 0.653 0.790) 1.214 13.782 ( -0.653 -0.363 1.283) 1.485 ======================= Grid point 118 (62/78) ======================= q-point: ( 0.30 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 13.355 6.815 0.305) 14.996 1.267 ( 2.061 3.106 5.558) 6.692 1.372 ( 12.384 -5.670 -2.463) 13.841 1.484 ( 1.440 -0.692 0.006) 1.597 1.562 ( -0.333 -2.210 4.101) 4.671 1.680 ( 5.011 6.376 10.234) 13.057 1.757 ( 5.137 0.166 -2.468) 5.702 1.814 ( -3.461 -2.326 -0.283) 4.179 1.936 ( 8.091 -1.266 2.730) 8.632 2.024 ( 5.719 -1.377 7.171) 9.275 2.102 ( 1.413 2.418 4.072) 4.942 2.150 ( 0.308 3.122 -0.077) 3.138 2.162 ( -0.270 4.669 4.800) 6.702 2.278 ( 1.636 -0.853 -5.106) 5.429 2.347 ( 6.159 -0.349 -4.350) 7.548 2.374 ( -0.726 4.932 -2.830) 5.732 2.406 ( -2.053 -0.921 0.407) 2.287 2.546 ( -1.626 -3.295 -2.527) 4.460 2.626 ( -4.088 -0.148 1.536) 4.369 2.647 ( -2.897 -0.694 1.044) 3.157 2.692 ( -5.159 1.557 -3.889) 6.645 2.737 ( 1.644 -3.812 0.210) 4.156 2.766 ( -4.549 -2.698 -1.107) 5.404 2.803 ( 1.704 2.826 2.783) 4.317 2.929 ( 5.300 -0.605 -4.022) 6.681 3.039 ( -0.186 3.182 -3.875) 5.017 3.088 ( 5.492 -2.301 1.400) 6.117 3.213 ( 3.208 4.416 -0.578) 5.489 3.252 ( -3.197 1.151 -7.545) 8.275 3.289 ( 2.036 1.343 -2.501) 3.493 3.353 ( 0.355 -4.144 -1.934) 4.587 3.405 ( -7.003 -2.711 -0.253) 7.514 3.459 ( -1.302 -3.637 -2.921) 4.843 3.540 ( 0.900 -2.405 -1.537) 2.992 3.625 ( -2.691 0.305 2.245) 3.518 3.701 ( 0.423 -0.995 3.324) 3.495 3.814 ( -5.325 3.105 -1.185) 6.277 3.837 ( -2.995 2.054 2.303) 4.300 3.990 ( -1.126 0.731 2.454) 2.797 4.100 ( -0.587 -2.845 -1.177) 3.134 4.295 ( -0.263 0.190 -0.555) 0.643 4.317 ( -1.058 -0.614 2.246) 2.558 6.379 ( -0.825 0.248 -0.169) 0.878 6.392 ( -0.695 -0.279 -0.254) 0.791 6.407 ( -0.639 0.041 0.209) 0.674 6.411 ( -0.470 -0.034 -0.014) 0.471 6.800 ( -0.586 -0.003 0.119) 0.598 6.808 ( -0.156 -0.077 -0.628) 0.651 6.874 ( -0.659 0.222 1.424) 1.585 6.891 ( 0.178 -0.152 -0.068) 0.244 7.124 ( -0.079 0.615 0.437) 0.759 7.159 ( 0.830 -0.657 -0.504) 1.172 7.227 ( -0.722 -0.053 0.566) 0.919 7.232 ( 0.754 -0.092 -1.149) 1.377 7.778 ( -4.207 0.577 -0.166) 4.249 7.798 ( -3.623 0.289 0.729) 3.707 7.815 ( -4.190 0.709 -0.663) 4.301 7.877 ( -0.709 -1.098 -0.546) 1.417 8.061 ( -3.427 0.390 0.964) 3.581 8.091 ( -1.150 -1.032 0.397) 1.595 8.153 ( -1.181 1.602 -0.136) 1.995 8.208 ( -0.971 -0.868 -1.414) 1.922 8.794 ( -0.708 0.817 -0.118) 1.088 8.826 ( -0.635 0.189 -1.150) 1.327 8.849 ( -0.510 -0.311 0.465) 0.757 8.870 ( -0.137 -0.379 0.148) 0.429 8.966 ( 1.270 0.228 1.144) 1.725 8.980 ( 1.427 -0.136 -0.239) 1.454 8.985 ( 1.106 0.022 -0.079) 1.109 9.000 ( 1.991 -0.363 -0.397) 2.063 9.923 ( 0.249 0.363 0.100) 0.452 9.947 ( 0.611 -0.808 -0.339) 1.069 9.984 ( 0.949 0.990 0.113) 1.376 10.019 ( 0.942 -0.628 1.111) 1.586 11.394 ( -0.648 0.312 0.244) 0.760 11.407 ( -0.453 -0.220 -0.305) 0.588 11.453 ( -0.738 0.266 0.122) 0.794 11.462 ( -0.328 -0.114 -0.244) 0.424 12.308 ( -0.539 0.607 0.462) 0.934 12.328 ( 0.380 0.637 -0.221) 0.774 12.338 ( 0.257 -0.608 0.327) 0.737 12.357 ( 0.414 -0.469 -0.292) 0.691 12.443 ( 1.561 0.704 0.449) 1.770 12.485 ( 1.759 -0.872 -0.210) 1.975 12.492 ( 1.341 0.143 0.359) 1.396 12.506 ( 1.421 -0.132 0.069) 1.429 12.658 ( -0.139 0.394 -0.051) 0.421 12.678 ( -0.108 -0.449 -0.221) 0.512 12.791 ( -0.136 0.315 0.051) 0.347 12.803 ( -0.092 -0.157 0.100) 0.208 13.145 ( 0.665 0.198 0.390) 0.796 13.150 ( 0.324 0.096 -0.190) 0.387 13.160 ( 0.165 -0.299 0.401) 0.527 13.162 ( 0.060 -0.250 0.004) 0.257 13.433 ( 0.957 0.371 0.555) 1.167 13.459 ( 0.941 -0.847 0.519) 1.368 13.503 ( 0.666 0.988 -0.777) 1.423 13.540 ( 1.069 -0.713 -0.323) 1.325 13.646 ( -0.388 0.780 -0.429) 0.971 13.686 ( -0.421 -0.936 0.402) 1.102 13.748 ( -1.078 0.689 0.101) 1.284 13.772 ( -1.430 -0.351 0.193) 1.485 ======================= Grid point 119 (63/78) ======================= q-point: ( 0.40 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 12.226 2.881 8.596) 15.221 1.361 ( -0.943 3.607 9.905) 10.584 1.439 ( 4.805 -1.750 -3.037) 5.948 1.563 ( 3.424 2.675 -0.482) 4.372 1.646 ( 0.773 -0.025 9.936) 9.966 1.772 ( -0.513 2.473 -1.491) 2.933 1.816 ( 3.413 7.674 -0.721) 8.430 1.860 ( 7.077 -4.844 5.485) 10.180 1.955 ( -2.347 2.912 0.939) 3.856 2.037 ( -7.629 1.623 2.449) 8.176 2.105 ( -0.768 -4.702 -1.608) 5.028 2.215 ( 2.316 0.518 3.502) 4.230 2.251 ( 5.537 -0.999 -0.741) 5.675 2.313 ( -3.976 -2.347 -1.671) 4.910 2.344 ( 4.567 -0.052 8.484) 9.635 2.406 ( 1.935 0.481 2.334) 3.070 2.446 ( 2.995 1.063 -1.605) 3.561 2.485 ( -5.521 -5.503 -2.475) 8.178 2.552 ( -4.315 -0.457 -3.066) 5.313 2.589 ( 1.268 -1.899 -4.767) 5.286 2.647 ( 3.944 2.830 2.018) 5.257 2.697 ( -2.449 1.302 0.529) 2.823 2.783 ( 2.254 -2.162 2.554) 4.034 2.840 ( -0.193 0.928 1.672) 1.922 2.953 ( 3.470 0.421 -3.625) 5.036 3.036 ( 3.729 3.341 -4.140) 6.497 3.102 ( -7.501 1.328 -3.819) 8.522 3.144 ( 2.220 2.584 -1.702) 3.808 3.206 ( -2.072 -0.995 -7.792) 8.124 3.268 ( 3.192 -0.205 -5.086) 6.008 3.287 ( -7.241 -2.320 0.810) 7.646 3.345 ( 4.135 -3.016 -2.064) 5.519 3.460 ( 2.177 -1.022 -1.626) 2.903 3.503 ( -3.008 -2.884 -0.736) 4.231 3.615 ( -5.239 4.313 -0.099) 6.786 3.719 ( 0.672 0.958 2.834) 3.066 3.754 ( -1.127 0.527 -1.026) 1.613 3.816 ( -1.146 -1.626 1.080) 2.263 4.011 ( -0.359 0.381 3.001) 3.046 4.092 ( 1.076 -2.299 -1.337) 2.869 4.284 ( -0.302 0.380 -0.329) 0.586 4.317 ( -1.298 -1.037 1.256) 2.082 6.369 ( -0.190 0.142 -0.070) 0.247 6.380 ( -0.495 -0.345 -0.254) 0.655 6.399 ( -0.478 0.262 0.182) 0.575 6.405 ( -0.478 -0.028 0.224) 0.529 6.796 ( -0.024 0.071 0.161) 0.177 6.803 ( 0.159 0.072 -0.271) 0.323 6.877 ( -0.873 0.092 1.500) 1.738 6.893 ( 0.304 -0.334 -0.202) 0.494 7.131 ( 0.183 0.576 0.624) 0.869 7.163 ( 0.308 -0.657 -0.551) 0.911 7.213 ( -1.290 0.329 0.123) 1.337 7.229 ( 0.855 -0.287 -1.987) 2.182 7.721 ( -2.783 0.904 0.380) 2.950 7.747 ( -3.098 0.783 -0.304) 3.210 7.760 ( -2.213 0.511 1.209) 2.573 7.844 ( -2.205 -1.674 -0.962) 2.931 8.030 ( -1.387 0.845 0.793) 1.807 8.080 ( -0.575 -1.445 -0.083) 1.557 8.144 ( -0.223 1.216 0.172) 1.248 8.183 ( -0.280 -0.599 -1.371) 1.522 8.784 ( -0.402 0.890 -0.059) 0.979 8.805 ( -0.438 0.484 -1.167) 1.337 8.846 ( -0.270 -0.235 0.316) 0.477 8.867 ( -0.287 -0.643 -0.219) 0.737 8.993 ( 0.502 -0.038 0.720) 0.878 8.998 ( 0.488 -0.151 0.710) 0.874 9.002 ( 1.387 0.329 -0.307) 1.458 9.024 ( 1.410 -0.504 -0.461) 1.567 9.928 ( 0.151 0.312 0.227) 0.414 9.949 ( 0.312 -0.661 -0.709) 1.018 10.001 ( 0.647 0.951 0.713) 1.353 10.037 ( 0.341 -0.611 0.279) 0.754 11.389 ( -0.417 0.237 0.304) 0.568 11.397 ( -0.275 -0.109 -0.388) 0.488 11.443 ( -0.563 0.289 0.136) 0.647 11.454 ( -0.226 -0.170 -0.294) 0.408 12.306 ( -0.342 0.750 0.585) 1.011 12.328 ( 0.183 0.682 -0.524) 0.879 12.345 ( 0.088 -0.802 0.322) 0.869 12.358 ( 0.247 -0.443 -0.386) 0.637 12.470 ( 1.012 0.687 0.642) 1.381 12.502 ( 0.736 -0.170 -0.438) 0.873 12.515 ( 0.873 -0.322 0.551) 1.081 12.527 ( 1.155 -0.232 -0.135) 1.186 12.669 ( 0.770 0.278 1.071) 1.348 12.686 ( 0.677 -0.469 0.868) 1.197 12.777 ( -0.907 0.406 -1.027) 1.429 12.791 ( -0.773 -0.171 -0.978) 1.258 13.148 ( -0.060 0.048 -0.193) 0.208 13.157 ( -0.147 -0.148 -0.106) 0.234 13.161 ( 0.186 -0.061 0.450) 0.491 13.167 ( 0.079 -0.148 0.417) 0.450 13.460 ( 1.239 0.214 1.149) 1.704 13.476 ( 0.864 -0.611 0.284) 1.095 13.507 ( 0.392 0.932 -0.432) 1.099 13.547 ( 0.367 -0.897 -0.817) 1.268 13.648 ( 0.266 0.929 0.644) 1.161 13.690 ( 0.016 -0.947 0.674) 1.162 13.729 ( -0.925 0.582 -0.494) 1.199 13.747 ( -1.289 -0.237 -0.377) 1.364 ======================= Grid point 120 (64/78) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -3.919 1.573 6.654) 7.881 1.453 ( -1.139 -0.412 6.029) 6.150 1.548 ( 3.142 5.018 0.739) 5.966 1.633 ( 2.781 4.577 4.258) 6.842 1.672 ( -4.998 -2.797 -0.997) 5.814 1.772 ( 6.159 6.972 6.301) 11.235 1.839 ( -9.451 5.679 -3.526) 11.576 1.847 ( 5.797 6.681 -5.896) 10.630 1.969 ( -3.048 -1.763 9.373) 10.013 2.125 ( 3.854 -3.529 5.080) 7.288 2.148 ( 7.401 -5.170 3.307) 9.615 2.207 ( -1.572 -1.816 -6.449) 6.882 2.238 ( 0.749 -4.315 -6.071) 7.486 2.244 ( -9.511 -5.449 -4.325) 11.784 2.337 ( -0.613 0.856 7.037) 7.115 2.427 ( -2.287 0.874 2.767) 3.695 2.431 ( -1.639 -4.678 3.652) 6.157 2.524 ( -1.575 -2.741 4.278) 5.319 2.558 ( 5.147 -1.043 -5.644) 7.710 2.575 ( 0.491 -3.479 4.019) 5.338 2.631 ( -1.099 -0.024 -3.203) 3.386 2.738 ( 5.097 -1.520 -5.549) 7.687 2.827 ( 0.242 0.756 4.013) 4.091 2.899 ( 0.855 0.903 1.550) 1.987 2.974 ( -2.221 4.188 -1.921) 5.115 2.995 ( 4.648 6.502 -0.412) 8.003 3.035 ( 2.314 -0.026 -4.728) 5.264 3.095 ( -1.019 2.732 -4.545) 5.400 3.166 ( -1.298 2.118 -1.623) 2.968 3.175 ( -1.312 1.533 -2.020) 2.855 3.288 ( -6.126 3.013 -1.235) 6.938 3.328 ( 4.387 0.211 -3.979) 5.927 3.440 ( -1.526 -1.358 -0.358) 2.074 3.466 ( -0.349 -0.513 -2.720) 2.790 3.584 ( 2.529 -2.237 5.083) 6.102 3.678 ( -4.125 -3.551 -3.527) 6.486 3.787 ( 1.215 -0.044 2.926) 3.169 3.823 ( 0.382 -1.312 -0.270) 1.393 4.032 ( -0.713 0.541 2.784) 2.924 4.093 ( 1.566 -1.638 -2.728) 3.546 4.288 ( 0.186 -0.166 1.274) 1.298 4.301 ( -1.779 -0.640 0.401) 1.933 6.370 ( 0.362 -0.098 -0.082) 0.384 6.371 ( -0.250 -0.141 -0.181) 0.340 6.398 ( 0.098 0.160 0.313) 0.365 6.400 ( -0.297 0.079 0.105) 0.325 6.795 ( -0.762 0.395 0.561) 1.026 6.809 ( 1.104 -0.043 -0.640) 1.276 6.878 ( -0.773 0.140 1.223) 1.453 6.899 ( 0.936 -0.592 -0.569) 1.245 7.141 ( 0.093 0.262 0.772) 0.820 7.158 ( -0.227 -0.492 -0.376) 0.660 7.195 ( -0.972 0.669 0.207) 1.198 7.220 ( 0.623 -0.407 -1.754) 1.906 7.705 ( 0.358 1.224 0.454) 1.353 7.716 ( -0.076 1.430 -0.512) 1.521 7.765 ( 0.908 -0.609 1.789) 2.096 7.803 ( -0.722 -1.361 -1.613) 2.230 8.034 ( 0.290 0.544 1.321) 1.458 8.066 ( -0.102 -0.828 -1.398) 1.628 8.146 ( -0.272 0.482 0.900) 1.057 8.167 ( -0.294 -0.396 -0.929) 1.052 8.781 ( 0.044 0.889 0.062) 0.892 8.791 ( 0.063 0.686 -0.870) 1.110 8.849 ( 0.211 -0.358 0.408) 0.583 8.858 ( -0.248 -0.564 -0.455) 0.766 8.996 ( -0.786 0.187 0.708) 1.075 9.009 ( 0.462 -0.008 -0.221) 0.512 9.017 ( 0.077 -0.188 0.570) 0.605 9.032 ( 0.330 -0.481 -0.616) 0.848 9.932 ( -0.062 0.214 0.399) 0.457 9.943 ( -0.045 -0.255 -0.686) 0.733 10.018 ( 0.274 0.383 1.055) 1.155 10.035 ( -0.354 -0.322 -0.446) 0.654 11.387 ( -0.104 0.183 0.200) 0.290 11.392 ( 0.110 -0.011 -0.284) 0.305 11.439 ( -0.246 0.222 0.442) 0.553 11.449 ( -0.048 -0.142 -0.351) 0.382 12.309 ( -0.186 0.788 0.729) 1.090 12.324 ( 0.062 0.691 -0.634) 0.940 12.348 ( -0.167 -0.738 0.380) 0.847 12.357 ( 0.115 -0.569 -0.431) 0.723 12.486 ( 0.082 0.537 0.745) 0.922 12.500 ( -0.215 0.258 -0.554) 0.648 12.527 ( -0.330 -0.323 0.609) 0.764 12.537 ( 0.297 -0.432 -0.313) 0.611 12.700 ( 1.253 0.043 1.545) 1.990 12.713 ( 0.777 -0.597 1.037) 1.426 12.747 ( -0.953 0.632 -1.034) 1.542 12.761 ( -1.155 -0.064 -1.535) 1.922 13.147 ( -0.006 -0.097 0.084) 0.129 13.149 ( -0.251 -0.118 -0.113) 0.299 13.169 ( 0.110 -0.045 0.295) 0.318 13.171 ( 0.039 -0.054 0.137) 0.152 13.485 ( -0.862 0.129 0.611) 1.064 13.490 ( 0.781 -0.046 0.968) 1.244 13.510 ( 0.865 0.273 -0.075) 0.910 13.533 ( -0.677 -0.619 -1.355) 1.636 13.665 ( 0.705 0.622 1.146) 1.482 13.690 ( -0.293 -0.383 -0.820) 0.952 13.718 ( 0.022 0.207 0.394) 0.446 13.729 ( -0.430 -0.237 -0.448) 0.664 ======================= Grid point 121 (65/78) ======================= q-point: (-0.40 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -8.174 1.948 1.826) 8.599 1.392 ( -13.368 1.678 2.508) 13.705 1.518 ( 0.323 0.714 -0.394) 0.877 1.617 ( -11.102 1.031 -1.193) 11.213 1.679 ( -3.046 5.728 4.412) 7.846 1.771 ( 8.618 3.106 -0.830) 9.198 1.832 ( 2.432 0.606 -7.462) 7.872 1.928 ( -1.245 4.501 1.275) 4.841 1.998 ( -3.582 -1.427 1.882) 4.291 2.061 ( -0.325 -3.507 6.219) 7.147 2.100 ( -0.084 0.964 -5.892) 5.971 2.135 ( -3.118 -2.327 -1.306) 4.104 2.271 ( 3.295 -5.404 1.663) 6.544 2.327 ( -5.283 -1.120 1.729) 5.670 2.366 ( 0.918 -0.405 2.974) 3.139 2.401 ( 2.028 1.437 -1.003) 2.680 2.426 ( -6.895 -3.700 5.248) 9.422 2.479 ( -2.229 -1.190 -1.080) 2.748 2.507 ( 4.197 2.846 -2.863) 5.823 2.646 ( 2.311 1.728 -1.471) 3.238 2.663 ( -1.361 -2.743 -4.332) 5.306 2.755 ( 1.579 -3.634 -0.224) 3.969 2.810 ( 0.565 -1.033 0.891) 1.477 2.889 ( 0.895 2.968 -2.652) 4.080 2.920 ( -2.846 -0.414 -4.487) 5.330 2.995 ( 0.417 -0.452 -1.872) 1.971 3.059 ( 1.616 1.486 -2.281) 3.166 3.112 ( 1.512 4.915 0.393) 5.157 3.131 ( 0.680 3.207 2.607) 4.189 3.136 ( -4.175 3.277 3.327) 6.264 3.231 ( 2.932 0.772 5.169) 5.992 3.365 ( -0.229 -5.276 -4.060) 6.661 3.438 ( -0.027 -2.490 0.512) 2.542 3.481 ( 2.130 -1.072 1.706) 2.932 3.618 ( 3.070 0.465 -0.482) 3.142 3.701 ( 4.182 0.474 3.841) 5.698 3.773 ( -2.704 0.066 -1.526) 3.105 3.830 ( 0.728 -1.023 -0.308) 1.293 4.052 ( -0.108 0.064 2.303) 2.306 4.083 ( 1.371 -1.015 -3.677) 4.054 4.274 ( -1.906 0.178 0.700) 2.038 4.311 ( 0.472 -1.303 1.685) 2.182 6.368 ( 0.164 0.042 -0.083) 0.189 6.377 ( 0.500 -0.356 -0.054) 0.616 6.400 ( 0.218 0.317 0.048) 0.388 6.407 ( 0.473 -0.025 0.205) 0.516 6.787 ( -0.720 0.644 0.355) 1.029 6.818 ( 0.819 -0.548 -0.813) 1.278 6.880 ( -0.197 0.466 0.649) 0.823 6.910 ( 1.352 -0.665 -0.995) 1.806 7.147 ( -0.273 -0.100 -0.186) 0.345 7.149 ( -0.297 -0.093 0.173) 0.356 7.189 ( -0.723 0.738 1.244) 1.617 7.218 ( 0.694 -0.520 -0.414) 0.961 7.733 ( 2.834 1.271 -0.659) 3.175 7.740 ( 3.390 1.233 0.191) 3.613 7.795 ( 2.055 -0.724 -1.860) 2.865 7.817 ( 2.818 -1.160 1.524) 3.407 8.056 ( 1.213 0.151 -1.548) 1.972 8.062 ( 1.337 -0.076 1.337) 1.893 8.151 ( -0.580 -0.088 0.904) 1.077 8.153 ( -0.392 -0.094 -0.055) 0.407 8.787 ( 0.473 0.721 0.144) 0.874 8.789 ( 0.644 0.744 -0.317) 1.034 8.852 ( 0.087 -0.332 -0.300) 0.456 8.861 ( 0.592 -0.526 0.363) 0.871 8.984 ( -1.645 0.356 0.704) 1.825 9.007 ( -0.598 -0.332 0.004) 0.684 9.014 ( -0.821 -0.205 0.038) 0.847 9.021 ( -0.731 -0.266 -0.859) 1.159 9.934 ( -0.297 0.022 0.553) 0.628 9.935 ( -0.267 0.006 -0.396) 0.478 10.019 ( -0.853 0.202 -0.768) 1.165 10.029 ( -0.191 -0.232 0.905) 0.954 11.390 ( 0.243 0.184 0.216) 0.374 11.394 ( 0.489 0.033 -0.224) 0.539 11.444 ( -0.002 0.081 0.658) 0.663 11.447 ( 0.184 -0.027 -0.210) 0.280 12.314 ( -0.181 0.698 0.605) 0.942 12.319 ( 0.164 0.730 -0.425) 0.860 12.346 ( -0.433 -0.603 0.332) 0.814 12.355 ( 0.073 -0.627 -0.248) 0.678 12.482 ( -1.227 0.398 -0.296) 1.323 12.490 ( -0.725 0.322 0.486) 0.930 12.517 ( -1.498 -0.217 0.391) 1.563 12.529 ( -0.744 -0.496 -0.297) 0.942 12.697 ( -1.195 0.145 -1.521) 1.939 12.713 ( -0.827 -0.610 -1.304) 1.660 12.750 ( 0.972 0.533 1.282) 1.695 12.761 ( 1.062 -0.035 1.666) 1.976 13.144 ( -0.254 0.067 0.177) 0.317 13.153 ( 0.269 -0.278 0.183) 0.428 13.169 ( -0.206 0.023 -0.156) 0.259 13.172 ( -0.000 -0.122 -0.053) 0.133 13.466 ( -1.737 0.365 0.494) 1.842 13.490 ( -1.361 -0.665 -0.810) 1.718 13.511 ( -0.003 0.426 -0.654) 0.780 13.527 ( 0.204 -0.308 0.832) 0.910 13.671 ( -0.368 0.465 -1.417) 1.536 13.691 ( 0.843 -0.320 0.733) 1.161 13.723 ( 0.310 0.219 -0.123) 0.399 13.735 ( 1.149 -0.235 0.785) 1.412 ======================= Grid point 122 (66/78) ======================= q-point: (-0.30 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -18.794 6.499 -4.510) 20.391 1.212 ( -13.714 2.747 2.938) 14.292 1.435 ( -7.690 -4.399 2.107) 9.106 1.499 ( -4.226 -5.821 -3.267) 7.900 1.655 ( -4.365 4.629 0.492) 6.381 1.699 ( -5.798 -0.095 -6.431) 8.660 1.855 ( 0.738 3.677 -4.311) 5.714 1.892 ( 3.572 -0.410 -1.771) 4.008 1.973 ( -4.602 -2.874 -3.101) 6.250 2.036 ( -4.130 2.510 5.534) 7.347 2.136 ( -1.331 0.232 1.057) 1.715 2.145 ( -0.128 6.235 5.177) 8.105 2.194 ( -7.422 -0.561 -5.085) 9.014 2.256 ( -8.215 2.362 2.690) 8.961 2.316 ( -3.979 0.905 -3.788) 5.568 2.375 ( 3.977 3.131 -2.968) 5.868 2.433 ( 0.353 1.098 0.663) 1.330 2.475 ( 2.018 0.676 5.338) 5.746 2.553 ( 1.675 2.736 -4.126) 5.226 2.655 ( 3.572 -1.630 1.426) 4.177 2.679 ( 8.339 -3.209 0.371) 8.943 2.740 ( -3.334 -3.376 1.635) 5.018 2.805 ( -2.335 -2.492 -2.972) 4.527 2.864 ( 2.111 1.497 -4.625) 5.300 2.939 ( 3.904 -0.979 -5.184) 6.563 2.974 ( -1.052 -6.011 3.713) 7.144 3.067 ( -1.029 0.029 3.641) 3.784 3.112 ( -4.762 1.747 3.529) 6.179 3.155 ( -0.048 0.751 4.638) 4.699 3.193 ( 1.635 2.936 2.724) 4.325 3.317 ( 3.810 -4.105 0.840) 5.663 3.372 ( -0.528 -0.812 4.513) 4.615 3.444 ( 4.329 -2.118 -2.155) 5.279 3.502 ( -1.260 -6.433 2.309) 6.950 3.678 ( 1.225 4.210 -2.358) 4.978 3.753 ( 1.160 0.897 -1.401) 2.028 3.774 ( 4.459 3.752 2.456) 6.324 3.867 ( 4.531 1.335 0.077) 4.724 4.063 ( 1.479 -0.713 -4.071) 4.390 4.076 ( 1.097 -1.106 1.102) 1.908 4.264 ( -1.140 0.749 2.092) 2.497 4.334 ( 0.645 -1.957 0.789) 2.207 6.376 ( 0.746 0.097 0.069) 0.755 6.386 ( 0.577 -0.392 0.159) 0.715 6.406 ( 0.357 0.335 0.130) 0.507 6.413 ( 0.218 -0.047 -0.047) 0.228 6.784 ( -0.142 0.615 0.570) 0.851 6.819 ( 0.600 -0.808 -0.841) 1.311 6.883 ( -0.013 0.751 0.067) 0.754 6.917 ( 1.184 -0.602 -1.613) 2.090 7.135 ( -0.321 -0.012 -0.571) 0.655 7.148 ( -0.548 -0.283 0.389) 0.729 7.196 ( -0.464 0.885 1.693) 1.966 7.232 ( 0.862 -0.835 0.551) 1.320 7.781 ( 3.598 1.113 -0.472) 3.795 7.806 ( 4.236 0.561 0.128) 4.275 7.824 ( 3.456 -0.134 -1.580) 3.803 7.865 ( 1.380 -0.927 0.606) 1.769 8.082 ( 3.656 0.295 -1.005) 3.803 8.098 ( 1.958 -0.232 0.042) 1.972 8.148 ( 0.330 0.359 0.146) 0.509 8.165 ( 0.198 -0.328 2.251) 2.283 8.797 ( 0.947 0.590 -0.325) 1.162 8.804 ( 0.787 0.506 0.693) 1.165 8.855 ( 0.522 -0.136 -0.121) 0.553 8.873 ( 0.564 -0.548 -0.002) 0.787 8.961 ( -2.153 0.421 0.828) 2.345 8.988 ( -1.975 -0.609 0.304) 2.089 8.993 ( -1.181 0.030 -1.032) 1.568 9.000 ( -0.695 -0.125 -0.523) 0.879 9.926 ( -0.342 0.105 -0.231) 0.426 9.934 ( -0.513 -0.270 0.667) 0.884 9.995 ( -1.020 0.742 -0.729) 1.457 10.029 ( -0.641 -0.672 0.236) 0.958 11.399 ( 0.494 0.138 0.282) 0.585 11.401 ( 0.689 0.105 -0.280) 0.751 11.451 ( 0.366 0.047 0.230) 0.435 11.452 ( 0.114 0.026 0.618) 0.629 12.315 ( 0.092 0.500 0.019) 0.508 12.321 ( 0.031 0.776 0.153) 0.792 12.343 ( -0.336 -0.638 0.208) 0.751 12.352 ( -0.173 -0.413 -0.119) 0.464 12.453 ( -1.767 0.443 -0.412) 1.868 12.477 ( -1.714 -0.352 0.488) 1.817 12.492 ( -1.804 0.142 0.337) 1.840 12.510 ( -1.302 -0.403 -0.202) 1.377 12.667 ( -0.656 0.341 -0.935) 1.192 12.686 ( -0.617 -0.418 -0.923) 1.187 12.780 ( 0.806 0.327 1.042) 1.357 12.791 ( 0.668 -0.140 1.126) 1.317 13.143 ( -0.362 0.153 0.372) 0.541 13.153 ( -0.502 -0.013 -0.172) 0.531 13.163 ( -0.118 -0.210 -0.142) 0.279 13.169 ( -0.244 -0.193 -0.279) 0.418 13.447 ( -1.166 0.157 -0.024) 1.177 13.459 ( -1.154 -0.367 -0.183) 1.224 13.500 ( -0.755 0.634 -0.479) 1.096 13.530 ( -0.748 -0.654 0.586) 1.154 13.652 ( -0.245 0.830 -0.932) 1.272 13.696 ( 0.036 -1.107 -0.453) 1.197 13.743 ( 1.457 0.802 0.564) 1.756 13.767 ( 1.844 -0.330 0.562) 1.956 ======================= Grid point 123 (67/78) ======================= q-point: (-0.20 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( -15.412 12.368 -0.532) 19.768 1.003 ( -17.691 6.236 8.672) 20.665 1.301 ( -9.427 -8.409 -5.331) 13.712 1.439 ( 0.257 -9.012 5.459) 10.540 1.529 ( -13.055 2.512 0.456) 13.302 1.619 ( -2.725 1.650 0.350) 3.204 1.723 ( -9.355 0.952 -5.547) 10.918 1.815 ( -5.062 11.462 0.287) 12.534 1.907 ( 1.615 -4.796 -4.036) 6.473 1.973 ( -7.287 1.818 -11.465) 13.706 2.076 ( -1.366 0.798 1.364) 2.089 2.102 ( -3.879 -1.401 0.117) 4.126 2.149 ( 0.063 0.535 0.041) 0.541 2.202 ( -1.223 2.441 2.825) 3.929 2.326 ( 2.835 0.957 1.639) 3.412 2.372 ( 0.546 4.503 0.289) 4.545 2.461 ( 2.299 -1.425 0.163) 2.710 2.562 ( 0.870 -5.907 -0.006) 5.970 2.635 ( 4.138 5.358 5.579) 8.773 2.690 ( 0.025 -0.621 -0.399) 0.739 2.721 ( -1.416 -2.800 0.226) 3.146 2.760 ( 2.495 -0.096 -0.753) 2.608 2.785 ( 2.272 -1.845 0.235) 2.936 2.826 ( -0.140 2.526 -2.970) 3.902 2.901 ( 0.912 -0.671 -5.110) 5.234 2.991 ( -3.687 -4.810 0.907) 6.128 3.071 ( 5.139 -1.007 2.776) 5.927 3.115 ( -5.358 4.497 3.973) 8.044 3.208 ( 0.503 0.705 3.875) 3.971 3.251 ( -0.908 2.207 3.426) 4.176 3.324 ( 0.592 -0.586 1.008) 1.308 3.416 ( -0.510 -1.209 3.672) 3.900 3.501 ( 0.202 -7.680 1.571) 7.842 3.541 ( 5.433 -4.032 1.573) 6.946 3.671 ( 0.572 1.567 -1.740) 2.410 3.733 ( -0.250 -2.553 -1.849) 3.162 3.886 ( 5.289 6.388 1.375) 8.407 3.940 ( 5.807 3.340 -3.272) 7.455 4.058 ( 3.059 -0.233 -3.320) 4.520 4.115 ( 2.602 -1.310 0.201) 2.920 4.273 ( -0.995 0.898 2.424) 2.770 4.346 ( 0.791 -1.667 -0.702) 1.974 6.391 ( 0.923 0.047 0.175) 0.940 6.398 ( 0.471 -0.287 0.455) 0.715 6.414 ( 0.334 0.108 0.325) 0.478 6.416 ( 0.199 0.023 0.126) 0.236 6.794 ( 0.300 0.549 0.899) 1.095 6.826 ( 1.182 -0.738 -0.291) 1.423 6.879 ( -0.326 0.787 -0.275) 0.895 6.911 ( 0.473 -0.470 -2.047) 2.153 7.130 ( 0.032 -0.549 0.123) 0.564 7.141 ( -0.566 -0.423 0.171) 0.727 7.206 ( -0.146 1.118 1.152) 1.612 7.248 ( 0.528 -1.102 -0.132) 1.229 7.832 ( 2.654 0.774 0.514) 2.812 7.861 ( 2.685 0.160 -1.236) 2.960 7.865 ( 1.540 -0.262 0.542) 1.653 7.877 ( 1.075 0.017 0.093) 1.079 8.120 ( 2.064 0.294 -0.686) 2.195 8.137 ( 3.471 -0.256 -1.557) 3.813 8.175 ( 2.422 0.748 1.136) 2.778 8.205 ( 1.337 -0.558 2.337) 2.750 8.809 ( 1.006 0.503 -0.331) 1.173 8.825 ( 0.666 0.130 0.942) 1.161 8.863 ( 0.665 -0.141 -0.376) 0.777 8.877 ( 0.322 -0.191 -0.360) 0.520 8.935 ( -2.268 0.423 1.004) 2.516 8.957 ( -1.556 -0.250 -0.378) 1.621 8.964 ( -1.471 0.036 -0.290) 1.500 8.984 ( -0.503 -0.471 -0.696) 0.980 9.919 ( -0.263 0.140 -0.099) 0.314 9.932 ( -0.607 -0.481 0.571) 0.962 9.973 ( -0.907 0.947 -0.588) 1.437 10.014 ( -0.954 -0.892 -0.755) 1.509 11.408 ( 0.643 0.201 -0.298) 0.737 11.412 ( 0.514 0.060 0.232) 0.567 11.459 ( -0.014 0.088 0.672) 0.678 11.462 ( 0.489 0.014 0.375) 0.617 12.318 ( -0.012 0.453 0.228) 0.507 12.322 ( 0.262 0.534 -0.226) 0.637 12.339 ( -0.173 -0.484 -0.287) 0.589 12.348 ( -0.287 -0.375 0.063) 0.477 12.420 ( -1.734 0.290 -0.360) 1.794 12.449 ( -2.053 -0.863 0.441) 2.271 12.469 ( -1.532 0.370 0.235) 1.593 12.486 ( -1.321 -0.311 -0.177) 1.369 12.659 ( 0.209 0.442 0.117) 0.502 12.678 ( 0.089 -0.334 0.210) 0.404 12.793 ( 0.026 0.279 0.025) 0.281 12.803 ( 0.013 -0.155 0.118) 0.196 13.137 ( -0.775 0.201 0.022) 0.801 13.140 ( -0.676 0.236 -0.105) 0.724 13.157 ( -0.528 -0.295 -0.106) 0.614 13.160 ( -0.409 -0.228 -0.383) 0.605 13.426 ( -0.739 0.318 -0.715) 1.077 13.449 ( -0.598 -0.823 -0.060) 1.018 13.486 ( -0.550 0.980 0.462) 1.216 13.521 ( -0.841 -0.640 0.373) 1.121 13.648 ( 0.317 0.856 0.318) 0.967 13.694 ( 0.310 -1.129 -0.079) 1.173 13.768 ( 1.194 0.844 -0.120) 1.467 13.797 ( 1.398 -0.424 -0.191) 1.473 ======================= Grid point 124 (68/78) ======================= q-point: (-0.10 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( -5.244 9.110 15.639) 18.843 0.902 ( -8.493 10.005 14.173) 19.316 1.212 ( -0.096 -3.671 4.913) 6.134 1.307 ( -12.657 0.296 3.489) 13.132 1.423 ( -12.457 -1.334 -2.334) 12.744 1.514 ( 2.930 -2.008 -2.604) 4.405 1.649 ( -6.488 7.776 -2.353) 10.396 1.727 ( 0.785 3.934 -10.412) 11.158 1.807 ( 1.395 4.096 -1.283) 4.514 1.870 ( -1.913 -3.185 -2.709) 4.598 2.017 ( -5.270 -6.950 -2.570) 9.093 2.116 ( -1.438 -5.657 -3.985) 7.067 2.155 ( 5.733 -5.957 6.448) 10.485 2.241 ( -0.532 4.329 1.974) 4.788 2.285 ( -2.227 -1.661 -0.004) 2.778 2.426 ( 0.989 -0.660 -2.837) 3.076 2.493 ( 1.127 -0.045 -1.396) 1.795 2.534 ( -1.703 -2.846 2.485) 4.144 2.654 ( -3.942 2.254 1.000) 4.650 2.698 ( 2.799 4.466 2.940) 6.035 2.735 ( 0.143 -0.758 -4.518) 4.583 2.773 ( -0.680 3.987 2.849) 4.947 2.801 ( 2.119 1.020 -0.859) 2.504 2.872 ( 6.722 3.026 0.350) 7.380 2.926 ( 3.010 -1.750 1.390) 3.749 2.957 ( -3.338 2.654 -1.493) 4.518 3.036 ( -0.889 -0.065 -0.672) 1.116 3.138 ( -8.508 -3.357 -1.461) 9.262 3.199 ( 4.282 -0.846 3.146) 5.380 3.278 ( -2.641 3.665 5.479) 7.101 3.386 ( 3.298 -0.487 1.686) 3.736 3.464 ( 0.317 -1.138 5.104) 5.239 3.514 ( 0.753 -6.986 0.517) 7.046 3.623 ( 2.349 -5.065 0.762) 5.635 3.668 ( 0.061 0.943 0.477) 1.058 3.713 ( 0.189 -2.132 -0.953) 2.343 3.956 ( 2.617 6.418 -0.379) 6.941 3.979 ( 3.680 4.550 -3.200) 6.669 4.082 ( 2.910 -0.704 -1.845) 3.517 4.141 ( 1.060 -1.107 -1.713) 2.299 4.278 ( -1.354 1.106 2.023) 2.674 4.343 ( 0.482 -0.935 -1.927) 2.196 6.406 ( 0.574 -0.021 0.191) 0.605 6.409 ( 0.196 -0.213 0.491) 0.570 6.423 ( 0.397 -0.063 0.202) 0.450 6.424 ( 0.238 -0.067 0.475) 0.536 6.810 ( 0.391 0.634 1.109) 1.336 6.846 ( 1.222 -0.749 -0.249) 1.455 6.868 ( -0.202 0.649 -0.833) 1.075 6.890 ( -0.296 -0.254 -2.135) 2.170 7.132 ( -0.638 -0.687 0.922) 1.315 7.142 ( 0.748 -1.380 0.011) 1.570 7.214 ( 0.130 1.074 0.344) 1.135 7.243 ( -0.310 -0.632 -1.072) 1.283 7.857 ( -0.645 0.405 0.043) 0.763 7.874 ( 0.972 -0.242 0.474) 1.108 7.886 ( 1.664 0.577 -0.162) 1.768 7.911 ( 1.101 -0.466 0.576) 1.327 8.147 ( 1.963 0.338 -0.499) 2.054 8.162 ( 1.460 -0.140 -1.047) 1.802 8.231 ( 2.694 0.347 0.739) 2.815 8.245 ( 0.858 -0.221 1.530) 1.768 8.821 ( 0.796 0.350 -0.226) 0.899 8.841 ( 0.027 -0.350 0.616) 0.709 8.864 ( 0.477 0.367 -0.888) 1.073 8.879 ( 0.188 0.096 -0.271) 0.344 8.913 ( -1.704 0.401 1.062) 2.047 8.935 ( -0.732 -0.185 -0.378) 0.844 8.943 ( -1.004 -0.054 0.173) 1.020 8.970 ( -0.133 -0.735 -0.942) 1.202 9.917 ( 0.004 0.143 0.153) 0.209 9.929 ( -0.454 -0.425 0.520) 0.811 9.954 ( -0.557 0.662 -0.586) 1.045 9.984 ( -1.165 -0.691 -1.541) 2.052 11.414 ( 0.455 0.233 -0.234) 0.562 11.419 ( 0.180 -0.021 0.099) 0.207 11.465 ( -0.204 0.207 0.749) 0.803 11.472 ( 0.372 -0.061 0.230) 0.442 12.317 ( -0.253 0.450 0.174) 0.545 12.324 ( 0.337 0.206 -0.440) 0.591 12.333 ( 0.143 -0.222 -0.548) 0.608 12.342 ( -0.525 -0.528 -0.155) 0.760 12.394 ( -0.981 0.414 0.076) 1.068 12.425 ( -1.477 -0.863 0.357) 1.747 12.449 ( -1.181 0.350 0.165) 1.243 12.465 ( -0.990 -0.266 -0.329) 1.077 12.675 ( 0.876 0.437 1.170) 1.525 12.692 ( 0.700 -0.292 1.248) 1.460 12.782 ( -0.701 0.283 -1.048) 1.291 12.794 ( -0.651 -0.202 -0.954) 1.172 13.125 ( -0.658 0.228 0.073) 0.700 13.129 ( -0.370 0.318 -0.292) 0.569 13.146 ( -0.638 -0.240 -0.106) 0.690 13.149 ( -0.382 -0.193 -0.284) 0.514 13.411 ( -0.440 0.371 -0.315) 0.657 13.434 ( -0.432 -0.603 -0.936) 1.195 13.491 ( -0.104 0.577 0.992) 1.152 13.513 ( -0.414 -0.374 0.108) 0.568 13.672 ( 1.162 0.546 1.914) 2.304 13.706 ( 0.748 -0.914 0.754) 1.401 13.775 ( 0.251 0.781 -0.882) 1.204 13.803 ( 0.194 -0.423 -1.289) 1.370 ======================= Grid point 125 (69/78) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -0.611 -9.692 15.344) 18.159 1.024 ( -0.611 9.692 15.344) 18.159 1.163 ( -1.053 -6.276 2.552) 6.856 1.163 ( -1.053 6.276 2.552) 6.856 1.541 ( 6.980 -3.576 -3.454) 8.569 1.541 ( 6.980 3.576 -3.454) 8.569 1.650 ( -7.087 -2.548 -5.833) 9.526 1.650 ( -7.087 2.548 -5.833) 9.526 1.690 ( -0.619 -8.883 -6.953) 11.298 1.690 ( -0.619 8.883 -6.953) 11.298 1.993 ( 2.561 -2.997 0.050) 3.943 1.993 ( 2.561 2.997 0.050) 3.943 2.204 ( 1.764 -2.683 7.015) 7.715 2.204 ( 1.764 2.683 7.015) 7.715 2.378 ( -0.104 -3.805 -1.939) 4.272 2.378 ( -0.104 3.805 -1.939) 4.272 2.504 ( -0.609 -1.254 -0.668) 1.546 2.504 ( -0.609 1.254 -0.668) 1.546 2.670 ( -1.217 -1.789 0.334) 2.189 2.670 ( -1.217 1.789 0.334) 2.189 2.816 ( 0.290 -5.556 2.322) 6.029 2.816 ( 0.290 5.556 2.322) 6.029 2.894 ( 0.921 -6.162 0.557) 6.255 2.894 ( 0.921 6.162 0.557) 6.255 2.964 ( -0.512 -1.988 -2.018) 2.879 2.964 ( -0.512 1.988 -2.018) 2.879 2.985 ( -0.476 -2.515 -1.481) 2.958 2.985 ( -0.476 2.515 -1.481) 2.958 3.255 ( -0.128 -0.974 0.105) 0.988 3.255 ( -0.128 0.974 0.105) 0.988 3.438 ( -0.847 -3.154 4.477) 5.542 3.438 ( -0.847 3.154 4.477) 5.542 3.556 ( 0.692 -3.400 -0.099) 3.471 3.556 ( 0.692 3.400 -0.099) 3.471 3.724 ( 0.555 -1.004 1.237) 1.687 3.724 ( 0.555 1.004 1.237) 1.687 4.033 ( -0.651 -0.576 -1.978) 2.161 4.033 ( -0.651 0.576 -1.978) 2.161 4.091 ( 0.341 -0.783 -1.170) 1.449 4.091 ( 0.341 0.783 -1.170) 1.449 4.301 ( -0.781 -1.399 0.089) 1.604 4.301 ( -0.781 1.399 0.089) 1.604 6.413 ( -0.002 -0.026 0.308) 0.309 6.413 ( -0.002 0.026 0.308) 0.309 6.427 ( -0.033 -0.084 0.153) 0.177 6.427 ( -0.033 0.084 0.153) 0.177 6.838 ( -0.760 -0.429 0.846) 1.215 6.838 ( -0.760 0.429 0.846) 1.215 6.866 ( 1.010 -0.384 -1.783) 2.085 6.866 ( 1.010 0.384 -1.783) 2.085 7.131 ( 0.119 -0.436 0.319) 0.554 7.131 ( 0.119 0.436 0.319) 0.554 7.226 ( -0.429 -0.100 0.113) 0.455 7.226 ( -0.429 0.100 0.113) 0.455 7.867 ( -0.004 -0.696 0.161) 0.715 7.867 ( -0.004 0.696 0.161) 0.715 7.912 ( 0.141 -0.418 0.052) 0.445 7.912 ( 0.141 0.418 0.052) 0.445 8.162 ( -0.197 -0.027 -0.347) 0.400 8.162 ( -0.197 0.027 -0.347) 0.400 8.265 ( 0.089 -0.196 0.597) 0.634 8.265 ( 0.089 0.196 0.597) 0.634 8.833 ( 0.050 -0.167 -0.101) 0.202 8.833 ( 0.050 0.167 -0.101) 0.202 8.875 ( -0.004 -0.134 -0.294) 0.324 8.875 ( -0.004 0.134 -0.294) 0.324 8.917 ( -0.487 -0.687 0.996) 1.304 8.917 ( -0.487 0.687 0.996) 1.304 8.943 ( 0.439 -0.866 -0.924) 1.340 8.943 ( 0.439 0.866 -0.924) 1.340 9.926 ( 0.076 -0.078 0.646) 0.656 9.926 ( 0.076 0.078 0.646) 0.656 9.948 ( -0.204 -0.174 -1.042) 1.076 9.948 ( -0.204 0.174 -1.042) 1.076 11.419 ( -0.026 -0.036 -0.035) 0.057 11.419 ( -0.026 0.036 -0.035) 0.057 11.474 ( -0.128 -0.270 0.350) 0.460 11.474 ( -0.128 0.270 0.350) 0.460 12.321 ( -0.549 -0.323 0.270) 0.692 12.321 ( -0.549 0.323 0.270) 0.692 12.330 ( 0.424 -0.265 -0.550) 0.743 12.330 ( 0.424 0.265 -0.550) 0.743 12.404 ( 0.167 -0.295 0.277) 0.438 12.404 ( 0.167 0.295 0.277) 0.438 12.445 ( -0.301 -0.331 0.013) 0.448 12.445 ( -0.301 0.331 0.013) 0.448 12.716 ( 1.047 -0.384 1.674) 2.011 12.716 ( 1.047 0.384 1.674) 2.011 12.759 ( -1.108 -0.363 -1.545) 1.936 12.759 ( -1.108 0.363 -1.545) 1.936 13.125 ( -0.142 -0.343 0.016) 0.371 13.125 ( -0.142 0.343 0.016) 0.371 13.139 ( 0.124 -0.214 -0.219) 0.330 13.139 ( 0.124 0.214 -0.219) 0.330 13.413 ( -0.031 -0.398 -0.230) 0.461 13.413 ( -0.031 0.398 -0.230) 0.461 13.504 ( -0.008 -0.296 0.155) 0.335 13.504 ( -0.008 0.296 0.155) 0.335 13.723 ( 0.985 -0.363 1.986) 2.246 13.723 ( 0.985 0.363 1.986) 2.246 13.769 ( -0.913 -0.482 -1.781) 2.059 13.769 ( -0.913 0.482 -1.781) 2.059 ======================= Grid point 127 (70/78) ======================= q-point: ( 0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 1.695 -6.963 0.161) 7.168 1.126 ( 1.695 6.963 0.161) 7.168 1.277 ( 9.954 -5.869 1.139) 11.612 1.277 ( 9.954 5.869 1.139) 11.612 1.459 ( -4.289 -3.601 -2.403) 6.094 1.459 ( -4.289 3.601 -2.403) 6.094 1.546 ( -2.902 -8.059 2.104) 8.820 1.546 ( -2.902 8.059 2.104) 8.820 1.779 ( 9.830 -6.396 1.421) 11.813 1.779 ( 9.830 6.396 1.421) 11.813 2.045 ( 3.192 -3.253 -3.415) 5.695 2.045 ( 3.192 3.253 -3.415) 5.695 2.238 ( 0.417 -2.006 -1.492) 2.534 2.238 ( 0.417 2.006 -1.492) 2.534 2.342 ( -1.041 -3.932 0.882) 4.162 2.342 ( -1.041 3.932 0.882) 4.162 2.523 ( 2.059 -2.807 0.266) 3.491 2.523 ( 2.059 2.807 0.266) 3.491 2.679 ( -1.634 -1.920 0.612) 2.594 2.679 ( -1.634 1.920 0.612) 2.594 2.781 ( -1.265 -2.919 0.858) 3.295 2.781 ( -1.265 2.919 0.858) 3.295 2.908 ( -3.383 -3.531 -2.316) 5.411 2.908 ( -3.383 3.531 -2.316) 5.411 2.966 ( 0.013 -3.582 -0.453) 3.611 2.966 ( 0.013 3.582 -0.453) 3.611 3.013 ( 7.571 -5.421 2.229) 9.575 3.013 ( 7.571 5.421 2.229) 9.575 3.255 ( 0.125 -4.463 0.298) 4.474 3.255 ( 0.125 4.463 0.298) 4.474 3.447 ( -1.926 -2.362 1.492) 3.393 3.447 ( -1.926 2.362 1.492) 3.393 3.548 ( -0.711 -3.582 -1.393) 3.909 3.548 ( -0.711 3.582 -1.393) 3.909 3.704 ( -3.166 -2.040 -0.830) 3.857 3.704 ( -3.166 2.040 -0.830) 3.857 3.986 ( -4.286 -1.108 1.321) 4.620 3.986 ( -4.286 1.108 1.321) 4.620 4.078 ( -0.772 -2.365 -0.839) 2.625 4.078 ( -0.772 2.365 -0.839) 2.625 4.298 ( -0.478 -0.477 1.208) 1.384 4.298 ( -0.478 0.477 1.208) 1.384 6.411 ( -0.359 -0.080 -0.015) 0.368 6.411 ( -0.359 0.080 -0.015) 0.368 6.424 ( -0.457 -0.199 0.078) 0.505 6.424 ( -0.457 0.199 0.078) 0.505 6.827 ( -1.232 -0.288 0.626) 1.412 6.827 ( -1.232 0.288 0.626) 1.412 6.872 ( 1.182 -0.801 -0.979) 1.731 6.872 ( 1.182 0.801 -0.979) 1.731 7.133 ( 0.111 -0.465 -0.134) 0.497 7.133 ( 0.111 0.465 -0.134) 0.497 7.224 ( -0.230 -0.271 0.547) 0.653 7.224 ( -0.230 0.271 0.547) 0.653 7.870 ( 0.109 -0.639 0.016) 0.648 7.870 ( 0.109 0.639 0.016) 0.648 7.902 ( -1.333 -0.601 -0.288) 1.490 7.902 ( -1.333 0.601 -0.288) 1.490 8.143 ( -2.046 -0.166 0.288) 2.073 8.143 ( -2.046 0.166 0.288) 2.073 8.254 ( -1.701 -0.727 -0.063) 1.851 8.254 ( -1.701 0.727 -0.063) 1.851 8.831 ( -0.165 -0.509 -0.081) 0.541 8.831 ( -0.165 0.509 -0.081) 0.541 8.870 ( -0.392 -0.389 -0.014) 0.553 8.870 ( -0.392 0.389 -0.014) 0.553 8.926 ( 0.392 -0.733 0.895) 1.221 8.926 ( 0.392 0.733 0.895) 1.221 8.949 ( 1.412 -0.719 -0.816) 1.782 8.949 ( 1.412 0.719 -0.816) 1.782 9.928 ( -0.122 -0.351 -0.087) 0.382 9.928 ( -0.122 0.351 -0.087) 0.382 9.951 ( 1.092 -0.094 0.269) 1.129 9.951 ( 1.092 0.094 0.269) 1.129 11.417 ( -0.327 -0.163 0.037) 0.367 11.417 ( -0.327 0.163 0.037) 0.367 11.473 ( -0.346 -0.237 0.196) 0.463 11.473 ( -0.346 0.237 0.196) 0.463 12.318 ( -0.270 -0.217 0.475) 0.587 12.318 ( -0.270 0.217 0.475) 0.587 12.333 ( 0.488 -0.539 -0.316) 0.793 12.333 ( 0.488 0.539 -0.316) 0.793 12.414 ( 1.043 -0.772 -0.204) 1.313 12.414 ( 1.043 0.772 -0.204) 1.313 12.451 ( 0.813 -0.344 0.408) 0.973 12.451 ( 0.813 0.344 0.408) 0.973 12.716 ( -1.137 -0.412 -1.631) 2.030 12.716 ( -1.137 0.412 -1.631) 2.030 12.758 ( 0.944 -0.330 1.720) 1.990 12.758 ( 0.944 0.330 1.720) 1.990 13.127 ( 0.289 -0.357 0.178) 0.493 13.127 ( 0.289 0.357 0.178) 0.493 13.144 ( 0.679 -0.231 -0.148) 0.733 13.144 ( 0.679 0.231 -0.148) 0.733 13.415 ( 0.368 -0.035 0.032) 0.371 13.415 ( 0.368 0.035 0.032) 0.371 13.508 ( 0.357 -0.049 0.025) 0.361 13.508 ( 0.357 0.049 0.025) 0.361 13.723 ( -1.464 -0.279 -1.842) 2.369 13.723 ( -1.464 0.279 -1.842) 2.369 13.759 ( 0.232 -0.369 1.735) 1.789 13.759 ( 0.232 0.369 1.735) 1.789 ======================= Grid point 129 (71/78) ======================= q-point: ( 0.20 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 4.048 -8.244 -7.900) 12.115 1.095 ( 4.048 8.244 -7.900) 12.115 1.389 ( 2.474 -8.257 -4.726) 9.830 1.389 ( 2.474 8.257 -4.726) 9.830 1.508 ( 9.716 -4.616 6.846) 12.751 1.508 ( 9.716 4.616 6.846) 12.751 1.609 ( 0.815 -3.640 8.799) 9.557 1.609 ( 0.815 3.640 8.799) 9.557 1.930 ( 4.369 -5.260 0.523) 6.858 1.930 ( 4.369 5.260 0.523) 6.858 2.035 ( 3.883 -3.525 0.444) 5.263 2.035 ( 3.883 3.525 0.444) 5.263 2.271 ( 3.191 -2.445 -1.081) 4.162 2.271 ( 3.191 2.445 -1.081) 4.162 2.348 ( -0.014 -3.479 0.353) 3.497 2.348 ( -0.014 3.479 0.353) 3.497 2.528 ( 0.807 -3.727 -4.636) 6.003 2.528 ( 0.807 3.727 -4.636) 6.003 2.630 ( -3.808 -1.926 3.152) 5.305 2.630 ( -3.808 1.926 3.152) 5.305 2.793 ( -3.587 -3.182 -0.409) 4.812 2.793 ( -3.587 3.182 -0.409) 4.812 2.836 ( 0.089 -3.905 -0.151) 3.909 2.836 ( 0.089 3.905 -0.151) 3.909 2.921 ( -0.668 -6.041 -4.527) 7.579 2.921 ( -0.668 6.041 -4.527) 7.579 3.166 ( 6.118 -4.128 0.296) 7.387 3.166 ( 6.118 4.128 0.296) 7.387 3.277 ( 2.634 -10.198 0.804) 10.563 3.277 ( 2.634 10.198 0.804) 10.563 3.408 ( -2.737 -2.245 -1.771) 3.958 3.408 ( -2.737 2.245 -1.771) 3.958 3.498 ( -2.303 -1.341 -3.100) 4.088 3.498 ( -2.303 1.341 -3.100) 4.088 3.653 ( -2.603 -0.356 2.168) 3.406 3.653 ( -2.603 0.356 2.168) 3.406 3.923 ( -5.789 -1.372 2.113) 6.313 3.923 ( -5.789 1.372 2.113) 6.313 4.053 ( -1.579 -3.553 -0.095) 3.889 4.053 ( -1.579 3.553 -0.095) 3.889 4.304 ( -0.557 -0.358 1.186) 1.358 4.304 ( -0.557 0.358 1.186) 1.358 6.401 ( -0.680 -0.306 -0.341) 0.820 6.401 ( -0.680 0.306 -0.341) 0.820 6.416 ( -0.633 -0.228 0.174) 0.695 6.416 ( -0.633 0.228 0.174) 0.695 6.814 ( -0.918 -0.294 0.134) 0.973 6.814 ( -0.918 0.294 0.134) 0.973 6.880 ( 0.377 -0.654 -0.013) 0.756 6.880 ( 0.377 0.654 -0.013) 0.756 7.135 ( 0.392 -0.688 -0.206) 0.818 7.135 ( 0.392 0.688 -0.206) 0.818 7.228 ( 0.019 -0.263 0.375) 0.458 7.228 ( 0.019 0.263 0.375) 0.458 7.852 ( -2.989 -0.237 -0.155) 3.002 7.852 ( -2.989 0.237 -0.155) 3.002 7.875 ( -0.987 -0.073 -0.402) 1.068 7.875 ( -0.987 0.073 -0.402) 1.068 8.107 ( -2.860 -0.103 0.761) 2.961 8.107 ( -2.860 0.103 0.761) 2.961 8.218 ( -2.057 -1.332 -0.596) 2.523 8.218 ( -2.057 1.332 -0.596) 2.523 8.825 ( -0.412 -1.053 -0.196) 1.148 8.825 ( -0.412 1.053 -0.196) 1.148 8.863 ( -0.478 -0.692 0.116) 0.848 8.863 ( -0.478 0.692 0.116) 0.848 8.947 ( 0.961 -0.736 0.900) 1.509 8.947 ( 0.961 0.736 0.900) 1.509 8.968 ( 1.901 -0.391 -0.754) 2.082 8.968 ( 1.901 0.391 -0.754) 2.082 9.928 ( 0.309 -0.535 -0.193) 0.648 9.928 ( 0.309 0.535 -0.193) 0.648 9.977 ( 1.254 -0.496 0.738) 1.537 9.977 ( 1.254 0.496 0.738) 1.537 11.410 ( -0.543 -0.334 0.061) 0.641 11.410 ( -0.543 0.334 0.061) 0.641 11.467 ( -0.498 -0.202 0.023) 0.538 11.467 ( -0.498 0.202 0.023) 0.538 12.321 ( -0.127 -0.451 0.474) 0.666 12.321 ( -0.127 0.451 0.474) 0.666 12.338 ( 0.471 -0.753 -0.165) 0.903 12.338 ( 0.471 0.753 -0.165) 0.903 12.434 ( 1.674 -1.175 -0.127) 2.049 12.434 ( 1.674 1.175 -0.127) 2.049 12.474 ( 1.403 -0.460 0.360) 1.520 12.474 ( 1.403 0.460 0.360) 1.520 12.683 ( -0.864 -0.545 -1.163) 1.548 12.683 ( -0.864 0.545 -1.163) 1.548 12.787 ( 0.585 -0.318 1.172) 1.348 12.787 ( 0.585 0.318 1.172) 1.348 13.137 ( 0.605 -0.335 0.334) 0.768 13.137 ( 0.605 0.335 0.334) 0.768 13.153 ( 0.542 -0.195 -0.125) 0.590 13.153 ( 0.542 0.195 -0.125) 0.590 13.426 ( 0.734 -0.466 0.284) 0.915 13.426 ( 0.734 0.466 0.284) 0.915 13.515 ( 0.685 -0.525 -0.267) 0.904 13.515 ( 0.685 0.525 -0.267) 0.904 13.683 ( -1.201 -0.692 -1.187) 1.824 13.683 ( -1.201 0.692 -1.187) 1.824 13.771 ( -0.651 -0.629 1.086) 1.414 13.771 ( -0.651 0.629 1.086) 1.414 ======================= Grid point 131 (72/78) ======================= q-point: ( 0.30 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 8.427 -8.641 3.295) 12.512 1.172 ( 8.427 8.641 3.295) 12.512 1.422 ( 7.093 -5.967 -4.125) 10.145 1.422 ( 7.093 5.967 -4.125) 10.145 1.604 ( -2.858 -6.941 7.477) 10.595 1.604 ( -2.858 6.941 7.477) 10.595 1.815 ( 12.976 -4.101 3.021) 13.940 1.815 ( 12.976 4.101 3.021) 13.940 1.955 ( -1.227 -4.379 2.104) 5.011 1.955 ( -1.227 4.379 2.104) 5.011 2.160 ( 4.525 -3.156 5.102) 7.515 2.160 ( 4.525 3.156 5.102) 7.515 2.277 ( -4.080 -3.689 -1.048) 5.600 2.277 ( -4.080 3.689 -1.048) 5.600 2.348 ( 2.332 -3.656 -0.097) 4.337 2.348 ( 2.332 3.656 -0.097) 4.337 2.449 ( -3.805 -2.874 -1.858) 5.118 2.449 ( -3.805 2.874 -1.858) 5.118 2.650 ( 1.978 -3.796 1.169) 4.438 2.650 ( 1.978 3.796 1.169) 4.438 2.683 ( -6.236 -2.981 -3.252) 7.639 2.683 ( -6.236 2.981 -3.252) 7.639 2.835 ( -1.201 -4.618 -0.760) 4.832 2.835 ( -1.201 4.618 -0.760) 4.832 2.929 ( 7.373 -4.627 -3.671) 9.447 2.929 ( 7.373 4.627 -3.671) 9.447 3.170 ( -0.172 -6.257 -4.049) 7.454 3.170 ( -0.172 6.257 -4.049) 7.454 3.321 ( -3.144 -1.146 -3.055) 4.531 3.321 ( -3.144 1.146 -3.055) 4.531 3.341 ( 0.074 -5.055 -0.267) 5.063 3.341 ( 0.074 5.055 -0.267) 5.063 3.445 ( 0.740 -4.308 -3.157) 5.392 3.445 ( 0.740 4.308 -3.157) 5.392 3.669 ( -0.124 -2.463 4.378) 5.024 3.669 ( -0.124 2.463 4.378) 5.024 3.851 ( -5.525 -0.551 1.221) 5.685 3.851 ( -5.525 0.551 1.221) 5.685 4.033 ( -0.761 -3.345 0.345) 3.448 4.033 ( -0.761 3.345 0.345) 3.448 4.303 ( -0.653 -0.619 0.532) 1.045 4.303 ( -0.653 0.619 0.532) 1.045 6.385 ( -0.728 -0.392 -0.378) 0.910 6.385 ( -0.728 0.392 -0.378) 0.910 6.409 ( -0.549 -0.158 0.276) 0.635 6.409 ( -0.549 0.158 0.276) 0.635 6.803 ( -0.453 -0.295 -0.064) 0.544 6.803 ( -0.453 0.295 -0.064) 0.544 6.883 ( -0.204 -0.556 0.468) 0.754 6.883 ( -0.204 0.556 0.468) 0.754 7.141 ( 0.436 -0.997 0.014) 1.088 7.141 ( 0.436 0.997 0.014) 1.088 7.229 ( 0.076 -0.184 -0.408) 0.454 7.229 ( 0.076 0.184 -0.408) 0.454 7.791 ( -4.168 -0.638 0.289) 4.226 7.791 ( -4.168 0.638 0.289) 4.226 7.846 ( -2.276 -1.865 -0.469) 2.980 7.846 ( -2.276 1.865 -0.469) 2.980 8.073 ( -2.298 -0.777 0.737) 2.536 8.073 ( -2.298 0.777 0.737) 2.536 8.184 ( -1.030 -1.448 -0.876) 1.981 8.184 ( -1.030 1.448 -0.876) 1.981 8.814 ( -0.506 -1.096 -0.394) 1.269 8.814 ( -0.506 1.096 -0.394) 1.269 8.857 ( -0.439 -0.836 0.064) 0.946 8.857 ( -0.439 0.836 0.064) 0.946 8.973 ( 0.974 -0.464 0.915) 1.415 8.973 ( 0.974 0.464 0.915) 1.415 8.991 ( 1.894 -0.449 -0.678) 2.061 8.991 ( 1.894 0.449 -0.678) 2.061 9.933 ( 0.413 -0.629 -0.174) 0.772 9.933 ( 0.413 0.629 -0.174) 0.772 10.003 ( 1.006 -0.924 0.648) 1.512 10.003 ( 1.006 0.924 0.648) 1.512 11.401 ( -0.578 -0.353 0.039) 0.679 11.401 ( -0.578 0.353 0.039) 0.679 11.458 ( -0.516 -0.248 -0.111) 0.583 11.458 ( -0.516 0.248 -0.111) 0.583 12.323 ( -0.144 -0.843 0.392) 0.941 12.323 ( -0.144 0.843 0.392) 0.941 12.343 ( 0.408 -0.807 -0.230) 0.933 12.343 ( 0.408 0.807 -0.230) 0.933 12.462 ( 1.702 -1.162 0.186) 2.069 12.462 ( 1.702 1.162 0.186) 2.069 12.500 ( 1.397 -0.436 0.116) 1.468 12.500 ( 1.397 0.436 0.116) 1.468 12.668 ( -0.153 -0.571 -0.139) 0.607 12.668 ( -0.153 0.571 -0.139) 0.607 12.798 ( -0.106 -0.315 0.082) 0.342 12.798 ( -0.106 0.315 0.082) 0.342 13.150 ( 0.563 -0.228 0.272) 0.665 13.150 ( 0.563 0.228 0.272) 0.665 13.157 ( 0.013 -0.136 0.024) 0.138 13.157 ( 0.013 0.136 0.024) 0.138 13.443 ( 0.938 -0.678 0.489) 1.256 13.443 ( 0.938 0.678 0.489) 1.256 13.523 ( 0.829 -0.979 -0.573) 1.405 13.523 ( 0.829 0.979 -0.573) 1.405 13.665 ( -0.334 -1.064 0.024) 1.116 13.665 ( -0.334 1.064 0.024) 1.116 13.762 ( -1.276 -0.627 0.179) 1.433 13.762 ( -1.276 0.627 0.179) 1.433 ======================= Grid point 133 (73/78) ======================= q-point: ( 0.40 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 4.440 -3.126 7.200) 9.018 1.357 ( 4.440 3.126 7.200) 9.018 1.501 ( 5.483 -6.337 0.956) 8.434 1.501 ( 5.483 6.337 0.956) 8.434 1.714 ( 6.914 -6.771 8.296) 12.746 1.714 ( 6.914 6.771 8.296) 12.746 1.911 ( -2.758 -7.425 -1.752) 8.112 1.911 ( -2.758 7.425 -1.752) 8.112 1.992 ( 3.672 -1.655 1.155) 4.190 1.992 ( 3.672 1.655 1.155) 4.190 2.155 ( -5.823 -8.530 -0.851) 10.363 2.155 ( -5.823 8.530 -0.851) 10.363 2.263 ( -1.107 -3.948 -0.401) 4.120 2.263 ( -1.107 3.948 -0.401) 4.120 2.339 ( -1.253 -2.851 5.169) 6.035 2.339 ( -1.253 2.851 5.169) 6.035 2.449 ( 0.842 -1.983 1.009) 2.379 2.449 ( 0.842 1.983 1.009) 2.379 2.554 ( -2.573 -1.232 -4.909) 5.678 2.554 ( -2.573 1.232 -4.909) 5.678 2.705 ( 1.824 -2.122 0.638) 2.870 2.705 ( 1.824 2.122 0.638) 2.870 2.807 ( 0.829 -4.267 -0.705) 4.404 2.807 ( 0.829 4.267 -0.705) 4.404 3.032 ( 7.715 -5.006 -2.951) 9.659 3.032 ( 7.715 5.006 -2.951) 9.659 3.128 ( -0.525 -2.385 -1.926) 3.110 3.128 ( -0.525 2.385 -1.926) 3.110 3.223 ( -4.475 -2.910 -1.744) 5.615 3.223 ( -4.475 2.910 -1.744) 5.615 3.299 ( -0.454 -2.940 -3.743) 4.781 3.299 ( -0.454 2.940 -3.743) 4.781 3.453 ( 2.676 -1.659 -2.177) 3.828 3.453 ( 2.676 1.659 -2.177) 3.828 3.706 ( -3.727 -3.379 1.723) 5.318 3.706 ( -3.727 3.379 1.723) 5.318 3.771 ( -2.188 -1.566 0.096) 2.693 3.771 ( -2.188 1.566 0.096) 2.693 4.040 ( 0.541 -2.443 0.757) 2.615 4.040 ( 0.541 2.443 0.757) 2.615 4.297 ( -0.664 -0.910 0.290) 1.163 4.297 ( -0.664 0.910 0.290) 1.163 6.373 ( -0.320 -0.291 -0.245) 0.497 6.373 ( -0.320 0.291 -0.245) 0.497 6.404 ( -0.491 -0.154 0.270) 0.581 6.404 ( -0.491 0.154 0.270) 0.581 6.800 ( 0.046 -0.271 0.168) 0.322 6.800 ( 0.046 0.271 0.168) 0.322 6.884 ( -0.277 -0.507 0.427) 0.719 6.884 ( -0.277 0.507 0.427) 0.719 7.146 ( 0.069 -0.881 0.208) 0.908 7.146 ( 0.069 0.881 0.208) 0.908 7.221 ( 0.009 -0.453 -1.117) 1.206 7.221 ( 0.009 0.453 -1.117) 1.206 7.739 ( -2.662 -0.848 0.811) 2.909 7.739 ( -2.662 0.848 0.811) 2.909 7.799 ( -2.488 -2.536 -0.546) 3.594 7.799 ( -2.488 2.536 -0.546) 3.594 8.052 ( -1.057 -1.318 0.453) 1.749 8.052 ( -1.057 1.318 0.453) 1.749 8.166 ( -0.223 -1.000 -0.766) 1.279 8.166 ( -0.223 1.000 -0.766) 1.279 8.803 ( -0.300 -0.773 -0.456) 0.946 8.803 ( -0.300 0.773 -0.456) 0.946 8.851 ( -0.334 -0.781 -0.081) 0.853 8.851 ( -0.334 0.781 -0.081) 0.853 8.994 ( 0.451 -0.198 0.858) 0.990 8.994 ( 0.451 0.198 0.858) 0.990 9.012 ( 1.384 -0.624 -0.537) 1.610 9.012 ( 1.384 0.624 -0.537) 1.610 9.936 ( 0.250 -0.554 -0.140) 0.623 9.936 ( 0.250 0.554 -0.140) 0.623 10.020 ( 0.500 -0.965 0.390) 1.154 10.020 ( 0.500 0.965 0.390) 1.154 11.394 ( -0.374 -0.234 0.017) 0.442 11.394 ( -0.374 0.234 0.017) 0.442 11.449 ( -0.374 -0.316 -0.124) 0.506 11.449 ( -0.374 0.316 -0.124) 0.506 12.325 ( -0.120 -1.058 0.433) 1.149 12.325 ( -0.120 1.058 0.433) 1.149 12.345 ( 0.198 -0.845 -0.424) 0.966 12.345 ( 0.198 0.845 -0.424) 0.966 12.487 ( 0.986 -0.989 0.358) 1.441 12.487 ( 0.986 0.989 0.358) 1.441 12.519 ( 0.937 -0.455 -0.035) 1.043 12.519 ( 0.937 0.455 -0.035) 1.043 12.676 ( 0.682 -0.492 0.923) 1.249 12.676 ( 0.682 0.492 0.923) 1.249 12.786 ( -0.812 -0.371 -0.965) 1.315 12.786 ( -0.812 0.371 -0.965) 1.315 13.151 ( -0.214 -0.266 -0.178) 0.385 13.151 ( -0.214 0.266 -0.178) 0.385 13.163 ( 0.239 -0.192 0.457) 0.550 13.163 ( 0.239 0.192 0.457) 0.550 13.466 ( 1.087 -0.422 0.762) 1.393 13.466 ( 1.087 0.422 0.762) 1.393 13.527 ( 0.327 -1.046 -0.654) 1.277 13.527 ( 0.327 1.046 -0.654) 1.277 13.669 ( 0.183 -1.110 0.598) 1.274 13.669 ( 0.183 1.110 0.598) 1.274 13.740 ( -1.137 -0.446 -0.398) 1.285 13.740 ( -1.137 0.446 -0.398) 1.285 ======================= Grid point 135 (74/78) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -2.055 -1.405 4.902) 5.498 1.431 ( -2.055 1.405 4.902) 5.498 1.613 ( 3.637 -2.762 2.632) 5.271 1.613 ( 3.637 2.762 2.632) 5.271 1.810 ( -7.245 -8.960 2.511) 11.793 1.810 ( -7.245 8.960 2.511) 11.793 1.935 ( 3.570 -6.136 3.973) 8.135 1.935 ( 3.570 6.136 3.973) 8.135 2.012 ( 3.212 -6.255 2.463) 7.450 2.012 ( 3.212 6.255 2.463) 7.450 2.073 ( -1.644 -3.580 -3.054) 4.985 2.073 ( -1.644 3.580 -3.054) 4.985 2.199 ( 0.235 -1.549 -5.954) 6.156 2.199 ( 0.235 1.549 -5.954) 6.156 2.364 ( -5.007 -1.773 5.982) 8.000 2.364 ( -5.007 1.773 5.982) 8.000 2.468 ( 0.612 -2.887 0.405) 2.979 2.468 ( 0.612 2.887 0.405) 2.979 2.540 ( 1.998 -0.761 1.769) 2.775 2.540 ( 1.998 0.761 1.769) 2.775 2.677 ( 1.032 -3.583 -5.784) 6.882 2.677 ( 1.032 3.583 -5.784) 6.882 2.869 ( 2.371 -2.507 2.012) 3.994 2.869 ( 2.371 2.507 2.012) 3.994 3.016 ( -1.127 -1.399 -4.683) 5.016 3.016 ( -1.127 1.399 -4.683) 5.016 3.149 ( 1.286 -3.636 -0.262) 3.865 3.149 ( 1.286 3.636 -0.262) 3.865 3.166 ( -1.659 -1.572 0.901) 2.457 3.166 ( -1.659 1.572 0.901) 2.457 3.312 ( 4.053 -1.638 -3.282) 5.466 3.312 ( 4.053 1.638 -3.282) 5.466 3.464 ( -0.824 -1.565 -0.827) 1.953 3.464 ( -0.824 1.565 -0.827) 1.953 3.578 ( -4.675 -4.111 -0.454) 6.242 3.578 ( -4.675 4.111 -0.454) 6.242 3.800 ( 1.130 -1.018 0.804) 1.720 3.800 ( 1.130 1.018 0.804) 1.720 4.055 ( 0.625 -1.820 0.128) 1.929 4.055 ( 0.625 1.820 0.128) 1.929 4.290 ( -0.800 -0.371 0.645) 1.092 4.290 ( -0.800 0.371 0.645) 1.092 6.369 ( 0.053 -0.034 -0.154) 0.166 6.369 ( 0.053 0.034 -0.154) 0.166 6.401 ( -0.098 -0.054 0.209) 0.237 6.401 ( -0.098 0.054 0.209) 0.237 6.804 ( 0.012 -0.403 0.205) 0.452 6.804 ( 0.012 0.403 0.205) 0.452 6.886 ( 0.239 -0.601 0.087) 0.653 6.886 ( 0.239 0.601 0.087) 0.653 7.148 ( -0.215 -0.438 0.416) 0.641 7.148 ( -0.215 0.438 0.416) 0.641 7.209 ( -0.001 -0.657 -1.003) 1.200 7.209 ( -0.001 0.657 -1.003) 1.200 7.730 ( 0.366 -0.834 0.744) 1.177 7.730 ( 0.366 0.834 0.744) 1.177 7.769 ( -0.152 -1.620 -0.612) 1.739 7.769 ( -0.152 1.620 -0.612) 1.739 8.048 ( 0.082 -0.902 0.224) 0.933 8.048 ( 0.082 0.902 0.224) 0.933 8.157 ( -0.282 -0.569 -0.321) 0.711 8.157 ( -0.282 0.569 -0.321) 0.711 8.797 ( 0.058 -0.367 -0.328) 0.496 8.797 ( 0.058 0.367 -0.328) 0.496 8.847 ( -0.000 -0.345 -0.089) 0.356 8.847 ( -0.000 0.345 -0.089) 0.356 9.003 ( -0.465 -0.438 0.755) 0.989 9.003 ( -0.465 0.438 0.755) 0.989 9.022 ( 0.480 -0.519 -0.531) 0.884 9.022 ( 0.480 0.519 -0.531) 0.884 9.937 ( -0.026 -0.319 -0.056) 0.325 9.937 ( -0.026 0.319 -0.056) 0.325 10.027 ( -0.062 -0.485 0.211) 0.533 10.027 ( -0.062 0.485 0.211) 0.533 11.391 ( -0.011 -0.140 0.014) 0.141 11.391 ( -0.011 0.140 0.014) 0.141 11.445 ( -0.134 -0.261 -0.003) 0.293 11.445 ( -0.134 0.261 -0.003) 0.293 12.328 ( -0.128 -1.042 0.559) 1.190 12.328 ( -0.128 1.042 0.559) 1.190 12.341 ( 0.037 -0.881 -0.535) 1.031 12.341 ( 0.037 0.881 -0.535) 1.031 12.498 ( -0.085 -0.528 0.301) 0.614 12.498 ( -0.085 0.528 0.301) 0.614 12.527 ( 0.005 -0.423 -0.046) 0.426 12.527 ( 0.005 0.423 -0.046) 0.426 12.704 ( 0.945 -0.306 1.167) 1.533 12.704 ( 0.945 0.306 1.167) 1.533 12.757 ( -0.983 -0.344 -1.167) 1.564 12.757 ( -0.983 0.344 -1.167) 1.564 13.147 ( -0.131 -0.083 0.006) 0.155 13.147 ( -0.131 0.083 0.006) 0.155 13.169 ( 0.080 -0.071 0.192) 0.220 13.169 ( 0.080 0.071 0.192) 0.220 13.488 ( 0.121 -0.144 0.903) 0.922 13.488 ( 0.121 0.144 0.903) 0.922 13.519 ( -0.044 -0.634 -0.786) 1.011 13.519 ( -0.044 0.634 -0.786) 1.011 13.679 ( 0.322 -0.688 0.379) 0.849 13.679 ( 0.322 0.688 0.379) 0.849 13.723 ( -0.343 -0.325 -0.291) 0.555 13.723 ( -0.343 0.325 -0.291) 0.555 ======================= Grid point 137 (75/78) ======================= q-point: (-0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -7.644 -1.639 1.650) 7.990 1.395 ( -7.644 1.639 1.650) 7.990 1.568 ( -8.267 -4.387 -0.780) 9.392 1.568 ( -8.267 4.387 -0.780) 9.392 1.787 ( -3.415 -3.047 3.923) 6.029 1.787 ( -3.415 3.047 3.923) 6.029 1.900 ( -3.601 -4.351 -0.304) 5.656 1.900 ( -3.601 4.351 -0.304) 5.656 2.018 ( 1.663 -6.137 -4.885) 8.018 2.018 ( 1.663 6.137 -4.885) 8.018 2.146 ( 3.105 -4.425 0.301) 5.414 2.146 ( 3.105 4.425 0.301) 5.414 2.228 ( 7.661 -9.468 0.540) 12.192 2.228 ( 7.661 9.468 0.540) 12.192 2.344 ( -4.939 -2.232 5.581) 7.780 2.344 ( -4.939 2.232 5.581) 7.780 2.447 ( 0.887 -1.854 -1.094) 2.328 2.447 ( 0.887 1.854 -1.094) 2.328 2.589 ( 0.119 -4.319 -1.417) 4.547 2.589 ( 0.119 4.319 -1.417) 4.547 2.684 ( 3.923 -2.727 -0.248) 4.784 2.684 ( 3.923 2.727 -0.248) 4.784 2.857 ( -1.760 -3.327 -3.726) 5.296 2.857 ( -1.760 3.327 -3.726) 5.296 2.975 ( -2.768 -1.371 -1.066) 3.268 2.975 ( -2.768 1.371 -1.066) 3.268 3.116 ( -3.132 -4.584 -0.683) 5.594 3.116 ( -3.132 4.584 -0.683) 5.594 3.200 ( 1.749 -3.424 3.154) 4.973 3.200 ( 1.749 3.424 3.154) 4.973 3.254 ( -1.504 -5.526 -2.535) 6.263 3.254 ( -1.504 5.526 -2.535) 6.263 3.420 ( -2.139 -2.252 0.756) 3.197 3.420 ( -2.139 2.252 0.756) 3.197 3.674 ( 8.346 -3.320 3.960) 9.816 3.674 ( 8.346 3.320 3.960) 9.816 3.797 ( -0.691 -1.807 -1.410) 2.394 3.797 ( -0.691 1.807 -1.410) 2.394 4.061 ( 0.648 -0.945 -1.065) 1.564 4.061 ( 0.648 0.945 -1.065) 1.564 4.286 ( -0.836 -1.041 1.233) 1.817 4.286 ( -0.836 1.041 1.233) 1.817 6.371 ( 0.316 -0.211 -0.059) 0.385 6.371 ( 0.316 0.211 -0.059) 0.385 6.405 ( 0.361 -0.159 0.120) 0.412 6.405 ( 0.361 0.159 0.120) 0.412 6.803 ( -0.240 -0.867 -0.023) 0.900 6.803 ( -0.240 0.867 -0.023) 0.900 6.894 ( 0.863 -0.837 -0.372) 1.258 6.894 ( 0.863 0.837 -0.372) 1.258 7.147 ( -0.420 -0.093 0.211) 0.480 7.147 ( -0.420 0.093 0.211) 0.480 7.205 ( 0.117 -0.763 0.147) 0.786 7.205 ( 0.117 0.763 0.147) 0.786 7.757 ( 2.706 -0.560 -0.549) 2.817 7.757 ( 2.706 0.560 -0.549) 2.817 7.790 ( 2.755 -1.028 0.191) 2.947 7.790 ( 2.755 1.028 0.191) 2.947 8.060 ( 1.336 -0.163 -0.098) 1.350 8.060 ( 1.336 0.163 -0.098) 1.350 8.151 ( -0.456 -0.082 0.426) 0.629 8.151 ( -0.456 0.082 0.426) 0.629 8.798 ( 0.415 -0.144 -0.087) 0.448 8.798 ( 0.415 0.144 -0.087) 0.448 8.850 ( 0.444 -0.308 -0.003) 0.540 8.850 ( 0.444 0.308 -0.003) 0.540 8.995 ( -1.439 -0.697 0.668) 1.733 8.995 ( -1.439 0.697 0.668) 1.733 9.015 ( -0.430 -0.254 -0.685) 0.848 9.015 ( -0.430 0.254 -0.685) 0.848 9.935 ( -0.289 -0.015 0.035) 0.292 9.935 ( -0.289 0.015 0.035) 0.292 10.024 ( -0.528 -0.301 0.102) 0.616 10.024 ( -0.528 0.301 0.102) 0.616 11.394 ( 0.363 -0.125 0.016) 0.384 11.394 ( 0.363 0.125 0.016) 0.384 11.445 ( 0.106 -0.083 0.205) 0.245 11.445 ( 0.106 0.083 0.205) 0.245 12.330 ( -0.276 -0.824 0.303) 0.920 12.330 ( -0.276 0.824 0.303) 0.920 12.338 ( 0.104 -0.919 -0.168) 0.940 12.338 ( 0.104 0.919 -0.168) 0.940 12.491 ( -1.160 -0.347 0.100) 1.215 12.491 ( -1.160 0.347 0.100) 1.215 12.518 ( -0.968 -0.466 0.034) 1.075 12.518 ( -0.968 0.466 0.034) 1.075 12.702 ( -0.884 -0.411 -1.320) 1.641 12.702 ( -0.884 0.411 -1.320) 1.641 12.759 ( 0.908 -0.274 1.381) 1.675 12.759 ( 0.908 0.274 1.381) 1.675 13.147 ( 0.004 -0.254 0.188) 0.316 13.147 ( 0.004 0.254 0.188) 0.316 13.170 ( -0.091 -0.097 -0.118) 0.178 13.170 ( -0.091 0.097 -0.118) 0.178 13.476 ( -1.599 -0.627 -0.067) 1.719 13.476 ( -1.599 0.627 -0.067) 1.719 13.520 ( 0.171 -0.421 -0.035) 0.456 13.520 ( 0.171 0.421 -0.035) 0.456 13.681 ( 0.019 -0.561 -0.542) 0.781 13.681 ( 0.019 0.561 -0.542) 0.781 13.729 ( 0.931 -0.335 0.566) 1.139 13.729 ( 0.931 0.335 0.566) 1.139 ======================= Grid point 139 (76/78) ======================= q-point: (-0.30 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -11.959 -3.828 0.298) 12.560 1.235 ( -11.959 3.828 0.298) 12.560 1.390 ( -12.847 -2.760 -0.881) 13.170 1.390 ( -12.847 2.760 -0.881) 13.170 1.718 ( -2.836 -1.427 -2.919) 4.313 1.718 ( -2.836 1.427 -2.919) 4.313 1.852 ( -3.746 -5.220 -2.081) 6.753 1.852 ( -3.746 5.220 -2.081) 6.753 2.006 ( 1.626 -4.385 -2.060) 5.110 2.006 ( 1.626 4.385 -2.060) 5.110 2.215 ( -5.087 -2.081 1.296) 5.647 2.215 ( -5.087 2.081 1.296) 5.647 2.239 ( 1.002 -5.365 1.994) 5.810 2.239 ( 1.002 5.365 1.994) 5.810 2.360 ( 1.964 -1.439 -1.092) 2.668 2.360 ( 1.964 1.439 -1.092) 2.668 2.466 ( -0.641 -1.916 -1.821) 2.720 2.466 ( -0.641 1.916 -1.821) 2.720 2.607 ( 6.389 -2.658 0.917) 6.981 2.607 ( 6.389 2.658 0.917) 6.981 2.684 ( -2.371 -2.294 -0.659) 3.364 2.684 ( -2.371 2.294 -0.659) 3.364 2.802 ( -2.900 -5.868 2.090) 6.871 2.802 ( -2.900 5.868 2.090) 6.871 2.912 ( 0.234 -2.313 -3.599) 4.285 2.912 ( 0.234 2.313 -3.599) 4.285 3.093 ( -0.783 -3.500 2.338) 4.281 3.093 ( -0.783 3.500 2.338) 4.281 3.234 ( -1.562 -6.247 4.351) 7.771 3.234 ( -1.562 6.247 4.351) 7.771 3.303 ( 3.205 -5.683 3.117) 7.230 3.303 ( 3.205 5.683 3.117) 7.230 3.413 ( 0.896 -0.390 0.067) 0.980 3.413 ( 0.896 0.390 0.067) 0.980 3.746 ( -0.584 -2.042 -2.770) 3.490 3.746 ( -0.584 2.042 -2.770) 3.490 3.852 ( 7.394 -2.834 1.843) 8.130 3.852 ( 7.394 2.834 1.843) 8.130 4.057 ( 1.335 -0.406 -1.883) 2.344 4.057 ( 1.335 0.406 -1.883) 2.344 4.291 ( -0.345 -1.987 1.567) 2.554 4.291 ( -0.345 1.987 1.567) 2.554 6.379 ( 0.677 -0.253 0.129) 0.734 6.379 ( 0.677 0.253 0.129) 0.734 6.411 ( 0.270 -0.170 0.030) 0.321 6.411 ( 0.270 0.170 0.030) 0.321 6.800 ( 0.064 -0.945 0.059) 0.949 6.800 ( 0.064 0.945 0.059) 0.949 6.901 ( 0.792 -0.949 -0.949) 1.558 6.901 ( 0.792 0.949 -0.949) 1.558 7.140 ( -0.628 -0.431 0.048) 0.763 7.140 ( -0.628 0.431 0.048) 0.763 7.214 ( 0.259 -0.934 0.915) 1.333 7.214 ( 0.259 0.934 0.915) 1.333 7.803 ( 3.690 -0.870 -0.706) 3.856 7.803 ( 3.690 0.870 -0.706) 3.856 7.839 ( 2.643 -1.513 0.127) 3.048 7.839 ( 2.643 1.513 0.127) 3.048 8.090 ( 2.943 -0.462 -0.730) 3.067 8.090 ( 2.943 0.462 -0.730) 3.067 8.157 ( 0.199 -0.489 1.410) 1.505 8.157 ( 0.199 0.489 1.410) 1.505 8.808 ( 0.676 -0.320 0.146) 0.762 8.808 ( 0.676 0.320 0.146) 0.762 8.859 ( 0.691 -0.615 -0.076) 0.928 8.859 ( 0.691 0.615 -0.076) 0.928 8.973 ( -2.063 -0.752 0.669) 2.295 8.973 ( -2.063 0.752 0.669) 2.295 8.996 ( -0.913 -0.204 -0.836) 1.254 8.996 ( -0.913 0.204 -0.836) 1.254 9.929 ( -0.442 -0.218 0.113) 0.505 9.929 ( -0.442 0.218 0.113) 0.505 10.012 ( -0.861 -0.924 -0.157) 1.273 10.012 ( -0.861 0.924 -0.157) 1.273 11.402 ( 0.602 -0.083 -0.002) 0.608 11.402 ( 0.602 0.083 -0.002) 0.608 11.452 ( 0.256 -0.018 0.414) 0.486 11.452 ( 0.256 0.018 0.414) 0.486 12.328 ( -0.119 -0.736 0.051) 0.748 12.328 ( -0.119 0.736 0.051) 0.748 12.339 ( -0.076 -0.862 0.068) 0.868 12.339 ( -0.076 0.862 0.068) 0.868 12.465 ( -1.978 -0.704 -0.049) 2.100 12.465 ( -1.978 0.704 -0.049) 2.100 12.500 ( -1.396 -0.529 0.126) 1.498 12.500 ( -1.396 0.529 0.126) 1.498 12.676 ( -0.557 -0.505 -0.917) 1.186 12.676 ( -0.557 0.505 -0.917) 1.186 12.787 ( 0.697 -0.301 1.074) 1.315 12.787 ( 0.697 0.301 1.074) 1.315 13.148 ( -0.280 -0.375 0.254) 0.532 13.148 ( -0.280 0.375 0.254) 0.532 13.164 ( -0.295 -0.224 -0.367) 0.521 13.164 ( -0.295 0.224 -0.367) 0.521 13.452 ( -1.165 -0.311 -0.161) 1.217 13.452 ( -1.165 0.311 -0.161) 1.217 13.515 ( -0.724 -0.811 0.064) 1.089 13.515 ( -0.724 0.811 0.064) 1.089 13.673 ( -0.135 -1.148 -0.624) 1.313 13.673 ( -0.135 1.148 -0.624) 1.313 13.758 ( 1.665 -0.617 0.547) 1.858 13.758 ( 1.665 0.617 0.547) 1.858 ======================= Grid point 141 (77/78) ======================= q-point: (-0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -11.533 -10.442 -1.611) 15.641 1.034 ( -11.533 10.442 -1.611) 15.641 1.239 ( -7.664 -8.716 7.469) 13.802 1.239 ( -7.664 8.716 7.469) 13.802 1.594 ( -11.010 -3.637 -2.372) 11.835 1.594 ( -11.010 3.637 -2.372) 11.835 1.779 ( 2.676 -5.612 -5.826) 8.521 1.779 ( 2.676 5.612 -5.826) 8.521 1.994 ( -1.023 -4.358 -4.292) 6.202 1.994 ( -1.023 4.358 -4.292) 6.202 2.068 ( -8.129 -3.045 -0.107) 8.681 2.068 ( -8.129 3.045 -0.107) 8.681 2.246 ( -7.146 -8.735 1.180) 11.347 2.246 ( -7.146 8.735 1.180) 11.347 2.359 ( 1.400 -9.743 -1.439) 9.948 2.359 ( 1.400 9.743 -1.439) 9.948 2.449 ( 0.614 -2.064 1.677) 2.729 2.449 ( 0.614 2.064 1.677) 2.729 2.681 ( 2.881 -0.782 -1.369) 3.285 2.681 ( 2.881 0.782 -1.369) 3.285 2.755 ( 6.117 -1.808 2.260) 6.767 2.755 ( 6.117 1.808 2.260) 6.767 2.795 ( -1.835 -6.905 4.324) 8.351 2.795 ( -1.835 6.905 4.324) 8.351 2.891 ( 2.938 -1.913 -3.283) 4.803 2.891 ( 2.938 1.913 -3.283) 4.803 3.129 ( -0.729 -5.083 3.252) 6.078 3.129 ( -0.729 5.083 3.252) 6.078 3.248 ( -2.223 -6.440 4.265) 8.037 3.248 ( -2.223 6.440 4.265) 8.037 3.349 ( -0.441 -3.530 1.784) 3.980 3.349 ( -0.441 3.530 1.784) 3.980 3.456 ( 3.441 -3.417 1.428) 5.055 3.456 ( 3.441 3.417 1.428) 5.055 3.706 ( -0.634 -1.373 -2.348) 2.793 3.706 ( -0.634 1.373 -2.348) 2.793 3.962 ( 6.046 -1.149 -1.297) 6.290 3.962 ( 6.046 1.149 -1.297) 6.290 4.077 ( 3.348 -2.153 -1.910) 4.415 4.077 ( 3.348 2.153 -1.910) 4.415 4.305 ( 0.159 -2.185 1.089) 2.447 4.305 ( 0.159 2.185 1.089) 2.447 6.393 ( 0.690 -0.155 0.318) 0.776 6.393 ( 0.690 0.155 0.318) 0.776 6.416 ( 0.219 -0.045 0.174) 0.283 6.416 ( 0.219 0.045 0.174) 0.283 6.809 ( 0.657 -0.896 0.449) 1.198 6.809 ( 0.657 0.896 0.449) 1.198 6.897 ( 0.227 -0.900 -1.326) 1.619 6.897 ( 0.227 0.900 -1.326) 1.619 7.130 ( -0.600 -0.493 0.106) 0.783 7.130 ( -0.600 0.493 0.106) 0.783 7.227 ( 0.180 -0.977 0.606) 1.163 7.227 ( 0.180 0.977 0.606) 1.163 7.850 ( 2.140 -0.892 0.054) 2.319 7.850 ( 2.140 0.892 0.054) 2.319 7.872 ( 1.797 -0.475 -0.145) 1.864 7.872 ( 1.797 0.475 -0.145) 1.864 8.129 ( 2.971 -0.523 -1.261) 3.269 8.129 ( 2.971 0.523 -1.261) 3.269 8.191 ( 1.762 -0.830 1.837) 2.677 8.191 ( 1.762 0.830 1.837) 2.677 8.821 ( 0.671 -0.555 0.186) 0.891 8.821 ( 0.671 0.555 0.186) 0.891 8.868 ( 0.684 -0.559 -0.292) 0.931 8.868 ( 0.684 0.559 -0.292) 0.931 8.946 ( -2.123 -0.669 0.736) 2.345 8.946 ( -2.123 0.669 0.736) 2.345 8.972 ( -0.841 -0.609 -0.894) 1.370 8.972 ( -0.841 0.609 -0.894) 1.370 9.924 ( -0.415 -0.312 0.185) 0.551 9.924 ( -0.415 0.312 0.185) 0.551 9.993 ( -1.022 -1.082 -0.606) 1.607 9.993 ( -1.022 1.082 -0.606) 1.607 11.411 ( 0.587 -0.098 -0.063) 0.599 11.411 ( 0.587 0.098 -0.063) 0.599 11.461 ( 0.258 -0.089 0.517) 0.584 11.461 ( 0.258 0.089 0.517) 0.584 12.328 ( 0.012 -0.519 -0.011) 0.519 12.328 ( 0.012 0.519 -0.011) 0.519 12.336 ( -0.190 -0.730 -0.106) 0.762 12.336 ( -0.190 0.730 -0.106) 0.762 12.432 ( -2.017 -0.806 0.066) 2.173 12.432 ( -2.017 0.806 0.066) 2.173 12.478 ( -1.405 -0.484 0.039) 1.487 12.478 ( -1.405 0.484 0.039) 1.487 12.669 ( 0.206 -0.501 0.134) 0.558 12.669 ( 0.206 0.501 0.134) 0.558 12.799 ( 0.003 -0.295 0.079) 0.305 12.799 ( 0.003 0.295 0.079) 0.305 13.141 ( -0.712 -0.198 0.007) 0.739 13.141 ( -0.712 0.198 0.007) 0.739 13.155 ( -0.394 -0.143 -0.300) 0.515 13.155 ( -0.394 0.143 -0.300) 0.515 13.435 ( -0.671 -0.601 -0.418) 0.993 13.435 ( -0.671 0.601 -0.418) 0.993 13.505 ( -0.654 -0.911 0.474) 1.218 13.505 ( -0.654 0.911 0.474) 1.218 13.670 ( 0.274 -1.238 0.112) 1.273 13.670 ( 0.274 1.238 0.112) 1.273 13.785 ( 1.297 -0.761 -0.176) 1.514 13.785 ( 1.297 0.761 -0.176) 1.514 ======================= Grid point 143 (78/78) ======================= q-point: (-0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -5.914 -10.238 9.567) 15.209 0.921 ( -5.914 10.238 9.567) 15.209 1.232 ( -7.871 -7.891 5.864) 12.594 1.232 ( -7.871 7.891 5.864) 12.594 1.441 ( 0.747 -2.568 -0.973) 2.846 1.441 ( 0.747 2.568 -0.973) 2.846 1.777 ( 2.160 -4.714 -6.194) 8.078 1.777 ( 2.160 4.714 -6.194) 8.078 1.850 ( -7.718 -8.378 -6.957) 13.347 1.850 ( -7.718 8.378 -6.957) 13.347 1.993 ( -1.827 -8.001 -0.672) 8.234 1.993 ( -1.827 8.001 -0.672) 8.234 2.150 ( -5.090 -6.743 4.040) 9.364 2.150 ( -5.090 6.743 4.040) 9.364 2.368 ( 1.239 -5.136 -0.332) 5.294 2.368 ( 1.239 5.136 -0.332) 5.294 2.492 ( 1.165 -1.145 2.322) 2.839 2.492 ( 1.165 1.145 2.322) 2.839 2.704 ( 0.865 -2.072 -1.045) 2.476 2.704 ( 0.865 2.072 -1.045) 2.476 2.781 ( -0.717 -2.147 -0.106) 2.266 2.781 ( -0.717 2.147 -0.106) 2.266 2.854 ( 2.629 -3.771 2.845) 5.407 2.854 ( 2.629 3.771 2.845) 5.407 2.961 ( 4.758 -3.959 -0.251) 6.194 2.961 ( 4.758 3.959 -0.251) 6.194 3.063 ( -6.992 -2.602 -1.528) 7.616 3.063 ( -6.992 2.602 -1.528) 7.616 3.258 ( -0.092 -6.639 -0.008) 6.640 3.258 ( -0.092 6.639 -0.008) 6.640 3.384 ( 0.223 -4.373 5.684) 7.175 3.384 ( 0.223 4.373 5.684) 7.175 3.524 ( 2.455 -4.359 1.444) 5.207 3.524 ( 2.455 4.359 1.444) 5.207 3.694 ( 0.873 -1.144 0.226) 1.457 3.694 ( 0.873 1.144 0.226) 1.457 4.024 ( 3.877 -0.096 -1.864) 4.303 4.024 ( 3.877 0.096 -1.864) 4.303 4.099 ( 1.882 -2.719 -2.678) 4.255 4.099 ( 1.882 2.719 -2.678) 4.255 4.312 ( -0.148 -2.033 -0.070) 2.039 4.312 ( -0.148 2.033 -0.070) 2.039 6.406 ( 0.369 -0.050 0.412) 0.555 6.406 ( 0.369 0.050 0.412) 0.555 6.422 ( 0.255 -0.055 0.278) 0.381 6.422 ( 0.255 0.055 0.278) 0.381 6.828 ( 0.854 -1.022 0.561) 1.445 6.828 ( 0.854 1.022 0.561) 1.445 6.881 ( -0.263 -0.610 -1.530) 1.668 6.881 ( -0.263 0.610 -1.530) 1.668 7.126 ( -0.147 -0.310 0.360) 0.497 7.126 ( -0.147 0.310 0.360) 0.497 7.231 ( -0.158 -0.640 0.065) 0.663 7.231 ( -0.158 0.640 0.065) 0.663 7.866 ( 0.054 -0.490 0.291) 0.572 7.866 ( 0.054 0.490 0.291) 0.572 7.899 ( 1.407 -0.666 -0.006) 1.556 7.899 ( 1.407 0.666 -0.006) 1.556 8.156 ( 1.696 -0.423 -0.894) 1.963 8.156 ( 1.696 0.423 -0.894) 1.963 8.239 ( 1.782 -0.381 1.272) 2.223 8.239 ( 1.782 0.381 1.272) 2.223 8.831 ( 0.369 -0.588 0.008) 0.694 8.831 ( 0.369 0.588 0.008) 0.694 8.875 ( 0.524 -0.522 -0.392) 0.837 8.875 ( 0.524 0.522 -0.392) 0.837 8.924 ( -1.605 -0.689 0.837) 1.937 8.924 ( -1.605 0.689 0.837) 1.937 8.953 ( -0.368 -0.834 -0.895) 1.277 8.953 ( -0.368 0.834 -0.895) 1.277 9.921 ( -0.175 -0.294 0.338) 0.480 9.921 ( -0.175 0.294 0.338) 0.480 9.969 ( -0.900 -0.757 -0.999) 1.543 9.969 ( -0.900 0.757 -0.999) 1.543 11.418 ( 0.316 -0.124 -0.097) 0.353 11.418 ( 0.316 0.124 -0.097) 0.353 11.469 ( 0.103 -0.222 0.472) 0.531 11.469 ( 0.103 0.222 0.472) 0.531 12.327 ( -0.247 -0.341 0.051) 0.424 12.327 ( -0.247 0.341 0.051) 0.424 12.331 ( 0.032 -0.398 -0.462) 0.611 12.331 ( 0.032 0.398 -0.462) 0.611 12.407 ( -1.156 -0.838 0.348) 1.470 12.407 ( -1.156 0.838 0.348) 1.470 12.457 ( -1.080 -0.454 -0.111) 1.177 12.457 ( -1.080 0.454 -0.111) 1.177 12.684 ( 0.814 -0.448 1.147) 1.476 12.684 ( 0.814 0.448 1.147) 1.476 12.788 ( -0.703 -0.341 -0.979) 1.253 12.788 ( -0.703 0.341 -0.979) 1.253 13.130 ( -0.512 -0.223 -0.090) 0.566 13.130 ( -0.512 0.223 -0.090) 0.566 13.145 ( -0.444 -0.167 -0.264) 0.543 13.145 ( -0.444 0.167 -0.264) 0.543 13.421 ( -0.407 -0.621 -0.499) 0.895 13.421 ( -0.407 0.621 -0.499) 0.895 13.503 ( -0.279 -0.598 0.451) 0.799 13.503 ( -0.279 0.598 0.451) 0.799 13.687 ( 0.945 -0.915 1.338) 1.876 13.687 ( 0.945 0.915 1.338) 1.876 13.791 ( 0.216 -0.735 -1.123) 1.360 13.791 ( 0.216 0.735 -1.123) 1.360 =================== 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 3/20400 10.0 45.312 26.477 22.736 0.000 2.344 0.000 3/20400 20.0 8.322 4.783 4.399 0.000 0.305 0.000 3/20400 30.0 3.970 2.282 2.252 0.000 0.160 0.000 3/20400 40.0 2.613 1.513 1.552 0.000 0.111 0.000 3/20400 50.0 1.973 1.150 1.204 0.000 0.085 0.000 3/20400 60.0 1.598 0.934 0.990 0.000 0.068 0.000 3/20400 70.0 1.351 0.790 0.844 0.000 0.057 0.000 3/20400 80.0 1.174 0.685 0.736 0.000 0.049 0.000 3/20400 90.0 1.041 0.606 0.653 0.000 0.043 0.000 3/20400 100.0 0.936 0.543 0.588 0.000 0.038 0.000 3/20400 110.0 0.852 0.493 0.535 0.000 0.034 0.000 3/20400 120.0 0.783 0.451 0.491 0.000 0.031 0.000 3/20400 130.0 0.724 0.416 0.454 0.000 0.029 0.000 3/20400 140.0 0.674 0.386 0.422 0.000 0.027 0.000 3/20400 150.0 0.631 0.360 0.394 0.000 0.025 0.000 3/20400 160.0 0.593 0.338 0.370 0.000 0.024 0.000 3/20400 170.0 0.560 0.318 0.349 0.000 0.022 0.000 3/20400 180.0 0.530 0.300 0.330 0.000 0.021 0.000 3/20400 190.0 0.503 0.285 0.313 0.000 0.020 0.000 3/20400 200.0 0.479 0.271 0.298 0.000 0.019 0.000 3/20400 210.0 0.457 0.258 0.284 0.000 0.018 0.000 3/20400 220.0 0.437 0.246 0.272 0.000 0.018 0.000 3/20400 230.0 0.419 0.235 0.260 0.000 0.017 0.000 3/20400 240.0 0.402 0.226 0.249 0.000 0.016 0.000 3/20400 250.0 0.386 0.217 0.240 0.000 0.016 0.000 3/20400 260.0 0.372 0.208 0.231 0.000 0.015 0.000 3/20400 270.0 0.358 0.201 0.222 0.000 0.015 0.000 3/20400 280.0 0.346 0.194 0.215 0.000 0.014 0.000 3/20400 290.0 0.334 0.187 0.207 0.000 0.014 0.000 3/20400 300.0 0.324 0.181 0.201 0.000 0.013 0.000 3/20400 310.0 0.313 0.175 0.194 0.000 0.013 0.000 3/20400 320.0 0.304 0.170 0.188 0.000 0.013 0.000 3/20400 330.0 0.295 0.164 0.183 0.000 0.012 0.000 3/20400 340.0 0.286 0.160 0.177 0.000 0.012 0.000 3/20400 350.0 0.278 0.155 0.172 0.000 0.012 0.000 3/20400 360.0 0.271 0.151 0.168 0.000 0.011 0.000 3/20400 370.0 0.264 0.147 0.163 0.000 0.011 0.000 3/20400 380.0 0.257 0.143 0.159 0.000 0.011 0.000 3/20400 390.0 0.250 0.139 0.155 0.000 0.011 0.000 3/20400 400.0 0.244 0.136 0.151 0.000 0.010 0.000 3/20400 410.0 0.238 0.133 0.148 0.000 0.010 0.000 3/20400 420.0 0.233 0.129 0.144 0.000 0.010 0.000 3/20400 430.0 0.227 0.126 0.141 0.000 0.010 0.000 3/20400 440.0 0.222 0.124 0.138 0.000 0.009 0.000 3/20400 450.0 0.217 0.121 0.135 0.000 0.009 0.000 3/20400 460.0 0.213 0.118 0.132 0.000 0.009 0.000 3/20400 470.0 0.208 0.116 0.129 0.000 0.009 0.000 3/20400 480.0 0.204 0.113 0.126 0.000 0.009 0.000 3/20400 490.0 0.200 0.111 0.124 0.000 0.009 0.000 3/20400 500.0 0.196 0.109 0.121 0.000 0.008 0.000 3/20400 510.0 0.192 0.107 0.119 0.000 0.008 0.000 3/20400 520.0 0.189 0.105 0.117 0.000 0.008 0.000 3/20400 530.0 0.185 0.103 0.114 0.000 0.008 0.000 3/20400 540.0 0.182 0.101 0.112 0.000 0.008 0.000 3/20400 550.0 0.178 0.099 0.110 0.000 0.008 0.000 3/20400 560.0 0.175 0.097 0.108 0.000 0.007 0.000 3/20400 570.0 0.172 0.095 0.107 0.000 0.007 0.000 3/20400 580.0 0.169 0.094 0.105 0.000 0.007 0.000 3/20400 590.0 0.166 0.092 0.103 0.000 0.007 0.000 3/20400 600.0 0.164 0.091 0.101 0.000 0.007 0.000 3/20400 610.0 0.161 0.089 0.100 0.000 0.007 0.000 3/20400 620.0 0.158 0.088 0.098 0.000 0.007 0.000 3/20400 630.0 0.156 0.086 0.096 0.000 0.007 0.000 3/20400 640.0 0.154 0.085 0.095 0.000 0.007 0.000 3/20400 650.0 0.151 0.084 0.093 0.000 0.006 0.000 3/20400 660.0 0.149 0.082 0.092 0.000 0.006 0.000 3/20400 670.0 0.147 0.081 0.091 0.000 0.006 0.000 3/20400 680.0 0.145 0.080 0.089 0.000 0.006 0.000 3/20400 690.0 0.142 0.079 0.088 0.000 0.006 0.000 3/20400 700.0 0.140 0.078 0.087 0.000 0.006 0.000 3/20400 710.0 0.138 0.077 0.086 0.000 0.006 0.000 3/20400 720.0 0.137 0.076 0.084 0.000 0.006 0.000 3/20400 730.0 0.135 0.075 0.083 0.000 0.006 0.000 3/20400 740.0 0.133 0.074 0.082 0.000 0.006 0.000 3/20400 750.0 0.131 0.073 0.081 0.000 0.006 0.000 3/20400 760.0 0.129 0.072 0.080 0.000 0.006 0.000 3/20400 770.0 0.128 0.071 0.079 0.000 0.006 0.000 3/20400 780.0 0.126 0.070 0.078 0.000 0.005 0.000 3/20400 790.0 0.125 0.069 0.077 0.000 0.005 0.000 3/20400 800.0 0.123 0.068 0.076 0.000 0.005 0.000 3/20400 810.0 0.121 0.067 0.075 0.000 0.005 0.000 3/20400 820.0 0.120 0.066 0.074 0.000 0.005 0.000 3/20400 830.0 0.119 0.066 0.073 0.000 0.005 0.000 3/20400 840.0 0.117 0.065 0.072 0.000 0.005 0.000 3/20400 850.0 0.116 0.064 0.072 0.000 0.005 0.000 3/20400 860.0 0.114 0.063 0.071 0.000 0.005 0.000 3/20400 870.0 0.113 0.063 0.070 0.000 0.005 0.000 3/20400 880.0 0.112 0.062 0.069 0.000 0.005 0.000 3/20400 890.0 0.111 0.061 0.068 0.000 0.005 0.000 3/20400 900.0 0.109 0.061 0.068 0.000 0.005 0.000 3/20400 910.0 0.108 0.060 0.067 0.000 0.005 0.000 3/20400 920.0 0.107 0.059 0.066 0.000 0.005 0.000 3/20400 930.0 0.106 0.059 0.065 0.000 0.005 0.000 3/20400 940.0 0.105 0.058 0.065 0.000 0.005 0.000 3/20400 950.0 0.104 0.057 0.064 0.000 0.004 0.000 3/20400 960.0 0.103 0.057 0.063 0.000 0.004 0.000 3/20400 970.0 0.102 0.056 0.063 0.000 0.004 0.000 3/20400 980.0 0.100 0.056 0.062 0.000 0.004 0.000 3/20400 990.0 0.099 0.055 0.062 0.000 0.004 0.000 3/20400 1000.0 0.098 0.054 0.061 0.000 0.004 0.000 3/20400 Thermal conductivity related properties were written into "kappa-m1045.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:14:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|