----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:02:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.731322360004794 0.000000000000000 0.000000000000000 b 0.000000000000000 6.688277239999998 0.000000000000000 c -2.907023829833380 0.000000000000000 10.386290775722919 Atomic positions (fractional): *1 Ca 0.80240453269632 0.74021757279192 0.95514641096352 40.078 2 Ca 0.19759546730368 0.24021757279191 0.54485358903648 40.078 3 Ca 0.19759546730368 0.25978242720808 0.04485358903648 40.078 4 Ca 0.80240453269632 0.75978242720808 0.45514641096352 40.078 *5 Ca 0.91794837177263 0.45846674190219 0.72783016263902 40.078 6 Ca 0.08205162822737 0.95846674190219 0.77216983736098 40.078 7 Ca 0.08205162822737 0.54153325809781 0.27216983736098 40.078 8 Ca 0.91794837177263 0.04153325809781 0.22783016263902 40.078 *9 Ca 0.57212646158253 0.21502774940532 0.88662246489160 40.078 10 Ca 0.42787353841747 0.71502774940532 0.61337753510840 40.078 11 Ca 0.42787353841747 0.78497225059468 0.11337753510840 40.078 12 Ca 0.57212646158253 0.28497225059468 0.38662246489160 40.078 *13 Cl 0.49183778511225 0.79714709317306 0.87670791203369 35.453 14 Cl 0.50816221488775 0.29714709317306 0.62329208796631 35.453 15 Cl 0.50816221488775 0.20285290682694 0.12329208796631 35.453 16 Cl 0.49183778511225 0.70285290682694 0.37670791203369 35.453 *17 Cl 0.71584059324331 0.82307746528192 0.68310581089670 35.453 18 Cl 0.28415940675669 0.32307746528192 0.81689418910330 35.453 19 Cl 0.28415940675669 0.17692253471808 0.31689418910330 35.453 20 Cl 0.71584059324331 0.67692253471808 0.18310581089670 35.453 *21 Si 0.88064621360811 0.24966555201707 0.96976732855993 28.085 22 Si 0.11935378639189 0.74966555201707 0.53023267144007 28.085 23 Si 0.11935378639189 0.75033444798293 0.03023267144007 28.085 24 Si 0.88064621360811 0.25033444798293 0.46976732855993 28.085 *25 O 0.76411986914600 0.41671907798151 0.89207835325550 15.999 26 O 0.23588013085400 0.91671907798151 0.60792164674450 15.999 27 O 0.23588013085400 0.58328092201849 0.10792164674450 15.999 28 O 0.76411986914600 0.08328092201849 0.39207835325550 15.999 *29 O 0.77794406514535 0.06778090422943 0.99625575179884 15.999 30 O 0.22205593485465 0.56778090422943 0.50374424820116 15.999 31 O 0.22205593485465 0.93221909577057 0.00374424820116 15.999 32 O 0.77794406514535 0.43221909577057 0.49625575179884 15.999 *33 O 0.98633139099435 0.19834875961887 0.87887101827044 15.999 34 O 0.01366860900565 0.69834875961887 0.62112898172956 15.999 35 O 0.01366860900565 0.80165124038113 0.12112898172956 15.999 36 O 0.98633139099435 0.30165124038113 0.37887101827044 15.999 *37 O 0.98660014506716 0.18787746919303 0.61007125999828 15.999 38 O 0.01339985493284 0.68787746919303 0.88992874000172 15.999 39 O 0.01339985493284 0.81212253080697 0.38992874000172 15.999 40 O 0.98660014506716 0.31212253080697 0.11007125999828 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.731322360004794 0.000000000000000 0.000000000000000 b 0.000000000000000 6.688277239999998 0.000000000000000 c -2.907023829833380 0.000000000000000 10.386290775722919 Atomic positions (fractional): *1 Ca 0.80240453269632 0.74021757279192 0.95514641096352 40.078 > 1 2 Ca 0.19759546730368 0.24021757279191 0.54485358903648 40.078 > 2 3 Ca 0.19759546730368 0.25978242720808 0.04485358903648 40.078 > 3 4 Ca 0.80240453269632 0.75978242720808 0.45514641096352 40.078 > 4 *5 Ca 0.91794837177263 0.45846674190219 0.72783016263902 40.078 > 5 6 Ca 0.08205162822737 0.95846674190219 0.77216983736098 40.078 > 6 7 Ca 0.08205162822737 0.54153325809781 0.27216983736098 40.078 > 7 8 Ca 0.91794837177263 0.04153325809781 0.22783016263902 40.078 > 8 *9 Ca 0.57212646158253 0.21502774940532 0.88662246489160 40.078 > 9 10 Ca 0.42787353841747 0.71502774940532 0.61337753510840 40.078 > 10 11 Ca 0.42787353841747 0.78497225059468 0.11337753510840 40.078 > 11 12 Ca 0.57212646158253 0.28497225059468 0.38662246489160 40.078 > 12 *13 Cl 0.49183778511225 0.79714709317306 0.87670791203369 35.453 > 13 14 Cl 0.50816221488775 0.29714709317306 0.62329208796631 35.453 > 14 15 Cl 0.50816221488775 0.20285290682694 0.12329208796631 35.453 > 15 16 Cl 0.49183778511225 0.70285290682694 0.37670791203369 35.453 > 16 *17 Cl 0.71584059324331 0.82307746528192 0.68310581089670 35.453 > 17 18 Cl 0.28415940675669 0.32307746528192 0.81689418910330 35.453 > 18 19 Cl 0.28415940675669 0.17692253471808 0.31689418910330 35.453 > 19 20 Cl 0.71584059324331 0.67692253471808 0.18310581089670 35.453 > 20 *21 Si 0.88064621360811 0.24966555201707 0.96976732855993 28.085 > 21 22 Si 0.11935378639189 0.74966555201707 0.53023267144007 28.085 > 22 23 Si 0.11935378639189 0.75033444798293 0.03023267144007 28.085 > 23 24 Si 0.88064621360811 0.25033444798293 0.46976732855993 28.085 > 24 *25 O 0.76411986914600 0.41671907798151 0.89207835325550 15.999 > 25 26 O 0.23588013085400 0.91671907798151 0.60792164674450 15.999 > 26 27 O 0.23588013085400 0.58328092201849 0.10792164674450 15.999 > 27 28 O 0.76411986914600 0.08328092201849 0.39207835325550 15.999 > 28 *29 O 0.77794406514535 0.06778090422943 0.99625575179884 15.999 > 29 30 O 0.22205593485465 0.56778090422943 0.50374424820116 15.999 > 30 31 O 0.22205593485465 0.93221909577057 0.00374424820116 15.999 > 31 32 O 0.77794406514535 0.43221909577057 0.49625575179884 15.999 > 32 *33 O 0.98633139099435 0.19834875961887 0.87887101827044 15.999 > 33 34 O 0.01366860900565 0.69834875961887 0.62112898172956 15.999 > 34 35 O 0.01366860900565 0.80165124038113 0.12112898172956 15.999 > 35 36 O 0.98633139099435 0.30165124038113 0.37887101827044 15.999 > 36 *37 O 0.98660014506716 0.18787746919303 0.61007125999828 15.999 > 37 38 O 0.01339985493284 0.68787746919303 0.88992874000172 15.999 > 38 39 O 0.01339985493284 0.81212253080697 0.38992874000172 15.999 > 39 40 O 0.98660014506716 0.31212253080697 0.11007125999828 15.999 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.731322360004794 0.000000000000000 0.000000000000000 b 0.000000000000000 13.376554479999996 0.000000000000000 c -2.907023829833380 0.000000000000000 10.386290775722919 Atomic positions (fractional): *1 Ca 0.80240453269632 0.37010878639596 0.95514641096352 40.078 > 1 2 Ca 0.80240453269632 0.87010878639596 0.95514641096352 40.078 > 1 3 Ca 0.19759546730368 0.12010878639596 0.54485358903648 40.078 > 2 4 Ca 0.19759546730368 0.62010878639596 0.54485358903648 40.078 > 2 5 Ca 0.19759546730368 0.12989121360404 0.04485358903648 40.078 > 3 6 Ca 0.19759546730368 0.62989121360404 0.04485358903648 40.078 > 3 7 Ca 0.80240453269632 0.37989121360404 0.45514641096352 40.078 > 4 8 Ca 0.80240453269632 0.87989121360404 0.45514641096352 40.078 > 4 *9 Ca 0.91794837177263 0.22923337095110 0.72783016263902 40.078 > 5 10 Ca 0.91794837177263 0.72923337095109 0.72783016263902 40.078 > 5 11 Ca 0.08205162822737 0.47923337095109 0.77216983736098 40.078 > 6 12 Ca 0.08205162822737 0.97923337095109 0.77216983736098 40.078 > 6 13 Ca 0.08205162822737 0.27076662904891 0.27216983736098 40.078 > 7 14 Ca 0.08205162822737 0.77076662904891 0.27216983736098 40.078 > 7 15 Ca 0.91794837177263 0.02076662904890 0.22783016263902 40.078 > 8 16 Ca 0.91794837177263 0.52076662904891 0.22783016263902 40.078 > 8 *17 Ca 0.57212646158253 0.10751387470266 0.88662246489160 40.078 > 9 18 Ca 0.57212646158253 0.60751387470266 0.88662246489160 40.078 > 9 19 Ca 0.42787353841747 0.35751387470266 0.61337753510840 40.078 > 10 20 Ca 0.42787353841747 0.85751387470266 0.61337753510840 40.078 > 10 21 Ca 0.42787353841747 0.39248612529734 0.11337753510840 40.078 > 11 22 Ca 0.42787353841747 0.89248612529734 0.11337753510840 40.078 > 11 23 Ca 0.57212646158253 0.14248612529734 0.38662246489160 40.078 > 12 24 Ca 0.57212646158253 0.64248612529734 0.38662246489160 40.078 > 12 *25 Cl 0.49183778511225 0.39857354658653 0.87670791203369 35.453 > 13 26 Cl 0.49183778511225 0.89857354658653 0.87670791203369 35.453 > 13 27 Cl 0.50816221488775 0.14857354658653 0.62329208796631 35.453 > 14 28 Cl 0.50816221488775 0.64857354658653 0.62329208796631 35.453 > 14 29 Cl 0.50816221488775 0.10142645341347 0.12329208796631 35.453 > 15 30 Cl 0.50816221488775 0.60142645341347 0.12329208796631 35.453 > 15 31 Cl 0.49183778511225 0.35142645341347 0.37670791203369 35.453 > 16 32 Cl 0.49183778511225 0.85142645341347 0.37670791203369 35.453 > 16 *33 Cl 0.71584059324331 0.41153873264096 0.68310581089670 35.453 > 17 34 Cl 0.71584059324331 0.91153873264096 0.68310581089670 35.453 > 17 35 Cl 0.28415940675669 0.16153873264096 0.81689418910330 35.453 > 18 36 Cl 0.28415940675669 0.66153873264096 0.81689418910330 35.453 > 18 37 Cl 0.28415940675669 0.08846126735904 0.31689418910330 35.453 > 19 38 Cl 0.28415940675669 0.58846126735904 0.31689418910330 35.453 > 19 39 Cl 0.71584059324331 0.33846126735904 0.18310581089670 35.453 > 20 40 Cl 0.71584059324331 0.83846126735904 0.18310581089670 35.453 > 20 *41 Si 0.88064621360811 0.12483277600853 0.96976732855993 28.085 > 21 42 Si 0.88064621360811 0.62483277600854 0.96976732855993 28.085 > 21 43 Si 0.11935378639189 0.37483277600853 0.53023267144007 28.085 > 22 44 Si 0.11935378639189 0.87483277600854 0.53023267144007 28.085 > 22 45 Si 0.11935378639189 0.37516722399147 0.03023267144007 28.085 > 23 46 Si 0.11935378639189 0.87516722399146 0.03023267144007 28.085 > 23 47 Si 0.88064621360811 0.12516722399146 0.46976732855993 28.085 > 24 48 Si 0.88064621360811 0.62516722399146 0.46976732855993 28.085 > 24 *49 O 0.76411986914600 0.20835953899075 0.89207835325550 15.999 > 25 50 O 0.76411986914600 0.70835953899075 0.89207835325550 15.999 > 25 51 O 0.23588013085400 0.45835953899075 0.60792164674450 15.999 > 26 52 O 0.23588013085400 0.95835953899075 0.60792164674450 15.999 > 26 53 O 0.23588013085400 0.29164046100925 0.10792164674450 15.999 > 27 54 O 0.23588013085400 0.79164046100925 0.10792164674450 15.999 > 27 55 O 0.76411986914600 0.04164046100925 0.39207835325550 15.999 > 28 56 O 0.76411986914600 0.54164046100925 0.39207835325550 15.999 > 28 *57 O 0.77794406514535 0.03389045211472 0.99625575179884 15.999 > 29 58 O 0.77794406514535 0.53389045211472 0.99625575179884 15.999 > 29 59 O 0.22205593485465 0.28389045211472 0.50374424820116 15.999 > 30 60 O 0.22205593485465 0.78389045211472 0.50374424820116 15.999 > 30 61 O 0.22205593485465 0.46610954788528 0.00374424820116 15.999 > 31 62 O 0.22205593485465 0.96610954788528 0.00374424820116 15.999 > 31 63 O 0.77794406514535 0.21610954788528 0.49625575179884 15.999 > 32 64 O 0.77794406514535 0.71610954788528 0.49625575179884 15.999 > 32 *65 O 0.98633139099435 0.09917437980944 0.87887101827044 15.999 > 33 66 O 0.98633139099435 0.59917437980944 0.87887101827044 15.999 > 33 67 O 0.01366860900565 0.34917437980944 0.62112898172956 15.999 > 34 68 O 0.01366860900565 0.84917437980944 0.62112898172956 15.999 > 34 69 O 0.01366860900565 0.40082562019056 0.12112898172956 15.999 > 35 70 O 0.01366860900565 0.90082562019056 0.12112898172956 15.999 > 35 71 O 0.98633139099435 0.15082562019056 0.37887101827044 15.999 > 36 72 O 0.98633139099435 0.65082562019056 0.37887101827044 15.999 > 36 *73 O 0.98660014506716 0.09393873459652 0.61007125999828 15.999 > 37 74 O 0.98660014506716 0.59393873459652 0.61007125999828 15.999 > 37 75 O 0.01339985493284 0.34393873459652 0.88992874000172 15.999 > 38 76 O 0.01339985493284 0.84393873459652 0.88992874000172 15.999 > 38 77 O 0.01339985493284 0.40606126540348 0.38992874000172 15.999 > 39 78 O 0.01339985493284 0.90606126540348 0.38992874000172 15.999 > 39 79 O 0.98660014506716 0.15606126540348 0.11007125999828 15.999 > 40 80 O 0.98660014506716 0.65606126540348 0.11007125999828 15.999 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1134566 0.0000000 -0.0001954 0.0000000 3.0131604 0.0000000 -0.0001921 0.0000000 3.1236906 -------------------------- Born effective charges -------------------------- 1 Ca 2.3521140 -0.0790873 0.0155081 -0.1110386 2.4645576 0.2153388 0.0181220 0.0813481 2.2860276 2 Ca 2.3521140 0.0790873 0.0155081 0.1110386 2.4645576 -0.2153388 0.0181220 -0.0813481 2.2860276 3 Ca 2.3521140 -0.0790873 0.0155081 -0.1110386 2.4645576 0.2153388 0.0181220 0.0813481 2.2860276 4 Ca 2.3521140 0.0790873 0.0155081 0.1110386 2.4645576 -0.2153388 0.0181220 -0.0813481 2.2860276 5 Ca 2.0729899 -0.0350679 -0.1778865 -0.0090251 2.4944421 -0.0300634 -0.1910972 -0.0241631 2.8089192 6 Ca 2.0729899 0.0350679 -0.1778865 0.0090251 2.4944421 0.0300634 -0.1910972 0.0241631 2.8089192 7 Ca 2.0729899 -0.0350679 -0.1778865 -0.0090251 2.4944421 -0.0300634 -0.1910972 -0.0241631 2.8089192 8 Ca 2.0729899 0.0350679 -0.1778865 0.0090251 2.4944421 0.0300634 -0.1910972 0.0241631 2.8089192 9 Ca 2.7122288 0.0578001 0.1681862 0.0998926 2.1524522 -0.1877873 0.1716026 -0.1851187 2.3454617 10 Ca 2.7122288 -0.0578001 0.1681862 -0.0998926 2.1524522 0.1877873 0.1716026 0.1851187 2.3454617 11 Ca 2.7122288 0.0578001 0.1681862 0.0998926 2.1524522 -0.1877873 0.1716026 -0.1851187 2.3454617 12 Ca 2.7122288 -0.0578001 0.1681862 -0.0998926 2.1524522 0.1877873 0.1716026 0.1851187 2.3454617 13 Cl -1.0208826 -0.0600106 0.1443943 -0.0341389 -1.0829400 -0.0874747 0.1439585 -0.0587839 -1.4348576 14 Cl -1.0208826 0.0600106 0.1443943 0.0341389 -1.0829400 0.0874747 0.1439585 0.0587839 -1.4348576 15 Cl -1.0208826 -0.0600106 0.1443943 -0.0341389 -1.0829400 -0.0874747 0.1439585 -0.0587839 -1.4348576 16 Cl -1.0208826 0.0600106 0.1443943 0.0341389 -1.0829400 0.0874747 0.1439585 0.0587839 -1.4348576 17 Cl -1.3378590 0.0393469 0.0312530 0.0377763 -0.8808061 -0.0210085 0.0128927 -0.0157881 -1.3510252 18 Cl -1.3378590 -0.0393469 0.0312530 -0.0377763 -0.8808061 0.0210085 0.0128927 0.0157881 -1.3510252 19 Cl -1.3378590 0.0393469 0.0312530 0.0377763 -0.8808061 -0.0210085 0.0128927 -0.0157881 -1.3510252 20 Cl -1.3378590 -0.0393469 0.0312530 -0.0377763 -0.8808061 0.0210085 0.0128927 0.0157881 -1.3510252 21 Si 3.0589268 0.1009684 0.0876107 0.1138342 2.6758073 -0.1850637 0.0879808 -0.0696283 2.7126870 22 Si 3.0589268 -0.1009684 0.0876107 -0.1138342 2.6758073 0.1850637 0.0879808 0.0696283 2.7126870 23 Si 3.0589268 0.1009684 0.0876107 0.1138342 2.6758073 -0.1850637 0.0879808 -0.0696283 2.7126870 24 Si 3.0589268 -0.1009684 0.0876107 -0.1138342 2.6758073 0.1850637 0.0879808 0.0696283 2.7126870 25 O -1.9900390 0.0008025 -0.1898239 0.0043432 -2.2367053 0.2276946 -0.1492428 0.1654278 -1.5151443 26 O -1.9900390 -0.0008025 -0.1898239 -0.0043432 -2.2367053 -0.2276946 -0.1492428 -0.1654278 -1.5151443 27 O -1.9900390 0.0008025 -0.1898239 0.0043432 -2.2367053 0.2276946 -0.1492428 0.1654278 -1.5151443 28 O -1.9900390 -0.0008025 -0.1898239 -0.0043432 -2.2367053 -0.2276946 -0.1492428 -0.1654278 -1.5151443 29 O -2.0143964 -0.2160159 -0.2105445 -0.2499115 -2.2365706 0.1629105 -0.2282367 0.1425259 -1.5977375 30 O -2.0143964 0.2160159 -0.2105445 0.2499115 -2.2365706 -0.1629105 -0.2282367 -0.1425259 -1.5977375 31 O -2.0143964 -0.2160159 -0.2105445 -0.2499115 -2.2365706 0.1629105 -0.2282367 0.1425259 -1.5977375 32 O -2.0143964 0.2160159 -0.2105445 0.2499115 -2.2365706 -0.1629105 -0.2282367 -0.1425259 -1.5977375 33 O -2.0768289 0.2288227 0.3296337 0.2811824 -1.6682422 -0.0531936 0.3445177 -0.0818754 -1.9709365 34 O -2.0768289 -0.2288227 0.3296337 -0.2811824 -1.6682422 0.0531936 0.3445177 0.0818754 -1.9709365 35 O -2.0768289 0.2288227 0.3296337 0.2811824 -1.6682422 -0.0531936 0.3445177 -0.0818754 -1.9709365 36 O -2.0768289 -0.2288227 0.3296337 -0.2811824 -1.6682422 0.0531936 0.3445177 0.0818754 -1.9709365 37 O -1.7562537 0.1838034 -0.1983310 0.2418182 -1.6819950 0.2343460 -0.2104977 0.2214721 -2.2833943 38 O -1.7562537 -0.1838034 -0.1983310 -0.2418182 -1.6819950 -0.2343460 -0.2104977 -0.2214721 -2.2833943 39 O -1.7562537 0.1838034 -0.1983310 0.2418182 -1.6819950 0.2343460 -0.2104977 0.2214721 -2.2833943 40 O -1.7562537 -0.1838034 -0.1983310 -0.2418182 -1.6819950 -0.2343460 -0.2104977 -0.2214721 -2.2833943 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3690 Number of blocks in projector: 3690 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 287 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 430 Use standard eigh solver. Tree of FC basis block matrices: - (3690, 3601), data: False |-- (430, 420), data: True |-- (430, 420), data: True |-- (430, 420), data: True |-- (800, 781), data: False |-- (800, 13), data: (800, 32) @ (32, 13) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1200 - Time: 0.750 Solver_block: 200 / 1200 - Time: 0.628 Solver_block: 300 / 1200 - Time: 0.622 Solver_block: 400 / 1200 - Time: 0.631 Solver_block: 500 / 1200 - Time: 0.623 Solver_block: 600 / 1200 - Time: 0.624 Solver_block: 700 / 1200 - Time: 0.628 Solver_block: 800 / 1200 - Time: 0.623 Solver_block: 900 / 1200 - Time: 0.627 Solver_block: 1000 / 1200 - Time: 0.622 Solver_block: 1100 / 1200 - Time: 0.619 Solver_block: 1200 / 1200 - Time: 0.632 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.804 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3690 Number of blocks in projector: 3690 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 287 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 430 Use standard eigh solver. Tree of FC basis block matrices: - (3690, 3601), data: False |-- (430, 420), data: True |-- (430, 420), data: True |-- (430, 420), data: True |-- (800, 781), data: False |-- (800, 13), data: (800, 32) @ (32, 13) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 10:03:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:03:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.731322360004794 0.000000000000000 0.000000000000000 b 0.000000000000000 6.688277239999998 0.000000000000000 c -2.907023829833380 0.000000000000000 10.386290775722919 Atomic positions (fractional): 1 Ca 0.80240453269632 0.74021757279192 0.95514641096352 40.078 2 Ca 0.19759546730368 0.24021757279191 0.54485358903648 40.078 3 Ca 0.19759546730368 0.25978242720808 0.04485358903648 40.078 4 Ca 0.80240453269632 0.75978242720808 0.45514641096352 40.078 5 Ca 0.91794837177263 0.45846674190219 0.72783016263902 40.078 6 Ca 0.08205162822737 0.95846674190219 0.77216983736098 40.078 7 Ca 0.08205162822737 0.54153325809781 0.27216983736098 40.078 8 Ca 0.91794837177263 0.04153325809781 0.22783016263902 40.078 9 Ca 0.57212646158253 0.21502774940532 0.88662246489160 40.078 10 Ca 0.42787353841747 0.71502774940532 0.61337753510840 40.078 11 Ca 0.42787353841747 0.78497225059468 0.11337753510840 40.078 12 Ca 0.57212646158253 0.28497225059468 0.38662246489160 40.078 13 Cl 0.49183778511225 0.79714709317306 0.87670791203369 35.453 14 Cl 0.50816221488775 0.29714709317306 0.62329208796631 35.453 15 Cl 0.50816221488775 0.20285290682694 0.12329208796631 35.453 16 Cl 0.49183778511225 0.70285290682694 0.37670791203369 35.453 17 Cl 0.71584059324331 0.82307746528192 0.68310581089670 35.453 18 Cl 0.28415940675669 0.32307746528192 0.81689418910330 35.453 19 Cl 0.28415940675669 0.17692253471808 0.31689418910330 35.453 20 Cl 0.71584059324331 0.67692253471808 0.18310581089670 35.453 21 Si 0.88064621360811 0.24966555201707 0.96976732855993 28.085 22 Si 0.11935378639189 0.74966555201707 0.53023267144007 28.085 23 Si 0.11935378639189 0.75033444798293 0.03023267144007 28.085 24 Si 0.88064621360811 0.25033444798293 0.46976732855993 28.085 25 O 0.76411986914600 0.41671907798151 0.89207835325550 15.999 26 O 0.23588013085400 0.91671907798151 0.60792164674450 15.999 27 O 0.23588013085400 0.58328092201849 0.10792164674450 15.999 28 O 0.76411986914600 0.08328092201849 0.39207835325550 15.999 29 O 0.77794406514535 0.06778090422943 0.99625575179884 15.999 30 O 0.22205593485465 0.56778090422943 0.50374424820116 15.999 31 O 0.22205593485465 0.93221909577057 0.00374424820116 15.999 32 O 0.77794406514535 0.43221909577057 0.49625575179884 15.999 33 O 0.98633139099435 0.19834875961887 0.87887101827044 15.999 34 O 0.01366860900565 0.69834875961887 0.62112898172956 15.999 35 O 0.01366860900565 0.80165124038113 0.12112898172956 15.999 36 O 0.98633139099435 0.30165124038113 0.37887101827044 15.999 37 O 0.98660014506716 0.18787746919303 0.61007125999828 15.999 38 O 0.01339985493284 0.68787746919303 0.88992874000172 15.999 39 O 0.01339985493284 0.81212253080697 0.38992874000172 15.999 40 O 0.98660014506716 0.31212253080697 0.11007125999828 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.731322360004794 0.000000000000000 0.000000000000000 b 0.000000000000000 13.376554479999996 0.000000000000000 c -2.907023829833380 0.000000000000000 10.386290775722919 Atomic positions (fractional): 1 Ca 0.80240453269632 0.37010878639596 0.95514641096352 40.078 > 1 2 Ca 0.80240453269632 0.87010878639596 0.95514641096352 40.078 > 1 3 Ca 0.19759546730368 0.12010878639596 0.54485358903648 40.078 > 3 4 Ca 0.19759546730368 0.62010878639596 0.54485358903648 40.078 > 3 5 Ca 0.19759546730368 0.12989121360404 0.04485358903648 40.078 > 5 6 Ca 0.19759546730368 0.62989121360404 0.04485358903648 40.078 > 5 7 Ca 0.80240453269632 0.37989121360404 0.45514641096352 40.078 > 7 8 Ca 0.80240453269632 0.87989121360404 0.45514641096352 40.078 > 7 9 Ca 0.91794837177263 0.22923337095110 0.72783016263902 40.078 > 9 10 Ca 0.91794837177263 0.72923337095109 0.72783016263902 40.078 > 9 11 Ca 0.08205162822737 0.47923337095109 0.77216983736098 40.078 > 11 12 Ca 0.08205162822737 0.97923337095109 0.77216983736098 40.078 > 11 13 Ca 0.08205162822737 0.27076662904891 0.27216983736098 40.078 > 13 14 Ca 0.08205162822737 0.77076662904891 0.27216983736098 40.078 > 13 15 Ca 0.91794837177263 0.02076662904890 0.22783016263902 40.078 > 15 16 Ca 0.91794837177263 0.52076662904891 0.22783016263902 40.078 > 15 17 Ca 0.57212646158253 0.10751387470266 0.88662246489160 40.078 > 17 18 Ca 0.57212646158253 0.60751387470266 0.88662246489160 40.078 > 17 19 Ca 0.42787353841747 0.35751387470266 0.61337753510840 40.078 > 19 20 Ca 0.42787353841747 0.85751387470266 0.61337753510840 40.078 > 19 21 Ca 0.42787353841747 0.39248612529734 0.11337753510840 40.078 > 21 22 Ca 0.42787353841747 0.89248612529734 0.11337753510840 40.078 > 21 23 Ca 0.57212646158253 0.14248612529734 0.38662246489160 40.078 > 23 24 Ca 0.57212646158253 0.64248612529734 0.38662246489160 40.078 > 23 25 Cl 0.49183778511225 0.39857354658653 0.87670791203369 35.453 > 25 26 Cl 0.49183778511225 0.89857354658653 0.87670791203369 35.453 > 25 27 Cl 0.50816221488775 0.14857354658653 0.62329208796631 35.453 > 27 28 Cl 0.50816221488775 0.64857354658653 0.62329208796631 35.453 > 27 29 Cl 0.50816221488775 0.10142645341347 0.12329208796631 35.453 > 29 30 Cl 0.50816221488775 0.60142645341347 0.12329208796631 35.453 > 29 31 Cl 0.49183778511225 0.35142645341347 0.37670791203369 35.453 > 31 32 Cl 0.49183778511225 0.85142645341347 0.37670791203369 35.453 > 31 33 Cl 0.71584059324331 0.41153873264096 0.68310581089670 35.453 > 33 34 Cl 0.71584059324331 0.91153873264096 0.68310581089670 35.453 > 33 35 Cl 0.28415940675669 0.16153873264096 0.81689418910330 35.453 > 35 36 Cl 0.28415940675669 0.66153873264096 0.81689418910330 35.453 > 35 37 Cl 0.28415940675669 0.08846126735904 0.31689418910330 35.453 > 37 38 Cl 0.28415940675669 0.58846126735904 0.31689418910330 35.453 > 37 39 Cl 0.71584059324331 0.33846126735904 0.18310581089670 35.453 > 39 40 Cl 0.71584059324331 0.83846126735904 0.18310581089670 35.453 > 39 41 Si 0.88064621360811 0.12483277600853 0.96976732855993 28.085 > 41 42 Si 0.88064621360811 0.62483277600854 0.96976732855993 28.085 > 41 43 Si 0.11935378639189 0.37483277600853 0.53023267144007 28.085 > 43 44 Si 0.11935378639189 0.87483277600854 0.53023267144007 28.085 > 43 45 Si 0.11935378639189 0.37516722399147 0.03023267144007 28.085 > 45 46 Si 0.11935378639189 0.87516722399146 0.03023267144007 28.085 > 45 47 Si 0.88064621360811 0.12516722399146 0.46976732855993 28.085 > 47 48 Si 0.88064621360811 0.62516722399146 0.46976732855993 28.085 > 47 49 O 0.76411986914600 0.20835953899075 0.89207835325550 15.999 > 49 50 O 0.76411986914600 0.70835953899075 0.89207835325550 15.999 > 49 51 O 0.23588013085400 0.45835953899075 0.60792164674450 15.999 > 51 52 O 0.23588013085400 0.95835953899075 0.60792164674450 15.999 > 51 53 O 0.23588013085400 0.29164046100925 0.10792164674450 15.999 > 53 54 O 0.23588013085400 0.79164046100925 0.10792164674450 15.999 > 53 55 O 0.76411986914600 0.04164046100925 0.39207835325550 15.999 > 55 56 O 0.76411986914600 0.54164046100925 0.39207835325550 15.999 > 55 57 O 0.77794406514535 0.03389045211472 0.99625575179884 15.999 > 57 58 O 0.77794406514535 0.53389045211472 0.99625575179884 15.999 > 57 59 O 0.22205593485465 0.28389045211472 0.50374424820116 15.999 > 59 60 O 0.22205593485465 0.78389045211472 0.50374424820116 15.999 > 59 61 O 0.22205593485465 0.46610954788528 0.00374424820116 15.999 > 61 62 O 0.22205593485465 0.96610954788528 0.00374424820116 15.999 > 61 63 O 0.77794406514535 0.21610954788528 0.49625575179884 15.999 > 63 64 O 0.77794406514535 0.71610954788528 0.49625575179884 15.999 > 63 65 O 0.98633139099435 0.09917437980944 0.87887101827044 15.999 > 65 66 O 0.98633139099435 0.59917437980944 0.87887101827044 15.999 > 65 67 O 0.01366860900565 0.34917437980944 0.62112898172956 15.999 > 67 68 O 0.01366860900565 0.84917437980944 0.62112898172956 15.999 > 67 69 O 0.01366860900565 0.40082562019056 0.12112898172956 15.999 > 69 70 O 0.01366860900565 0.90082562019056 0.12112898172956 15.999 > 69 71 O 0.98633139099435 0.15082562019056 0.37887101827044 15.999 > 71 72 O 0.98633139099435 0.65082562019056 0.37887101827044 15.999 > 71 73 O 0.98660014506716 0.09393873459652 0.61007125999828 15.999 > 73 74 O 0.98660014506716 0.59393873459652 0.61007125999828 15.999 > 73 75 O 0.01339985493284 0.34393873459652 0.88992874000172 15.999 > 75 76 O 0.01339985493284 0.84393873459652 0.88992874000172 15.999 > 75 77 O 0.01339985493284 0.40606126540348 0.38992874000172 15.999 > 77 78 O 0.01339985493284 0.90606126540348 0.38992874000172 15.999 > 77 79 O 0.98660014506716 0.15606126540348 0.11007125999828 15.999 > 79 80 O 0.98660014506716 0.65606126540348 0.11007125999828 15.999 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1134566 0.0000000 -0.0001954 0.0000000 3.0131604 0.0000000 -0.0001921 0.0000000 3.1236906 -------------------------- Born effective charges -------------------------- 1 Ca 2.3521140 -0.0790873 0.0155081 -0.1110386 2.4645576 0.2153388 0.0181220 0.0813481 2.2860276 2 Ca 2.3521140 0.0790873 0.0155081 0.1110386 2.4645576 -0.2153388 0.0181220 -0.0813481 2.2860276 3 Ca 2.3521140 -0.0790873 0.0155081 -0.1110386 2.4645576 0.2153388 0.0181220 0.0813481 2.2860276 4 Ca 2.3521140 0.0790873 0.0155081 0.1110386 2.4645576 -0.2153388 0.0181220 -0.0813481 2.2860276 5 Ca 2.0729899 -0.0350679 -0.1778865 -0.0090251 2.4944421 -0.0300634 -0.1910972 -0.0241631 2.8089192 6 Ca 2.0729899 0.0350679 -0.1778865 0.0090251 2.4944421 0.0300634 -0.1910972 0.0241631 2.8089192 7 Ca 2.0729899 -0.0350679 -0.1778865 -0.0090251 2.4944421 -0.0300634 -0.1910972 -0.0241631 2.8089192 8 Ca 2.0729899 0.0350679 -0.1778865 0.0090251 2.4944421 0.0300634 -0.1910972 0.0241631 2.8089192 9 Ca 2.7122288 0.0578001 0.1681862 0.0998926 2.1524522 -0.1877873 0.1716026 -0.1851187 2.3454617 10 Ca 2.7122288 -0.0578001 0.1681862 -0.0998926 2.1524522 0.1877873 0.1716026 0.1851187 2.3454617 11 Ca 2.7122288 0.0578001 0.1681862 0.0998926 2.1524522 -0.1877873 0.1716026 -0.1851187 2.3454617 12 Ca 2.7122288 -0.0578001 0.1681862 -0.0998926 2.1524522 0.1877873 0.1716026 0.1851187 2.3454617 13 Cl -1.0208826 -0.0600106 0.1443943 -0.0341389 -1.0829400 -0.0874747 0.1439585 -0.0587839 -1.4348576 14 Cl -1.0208826 0.0600106 0.1443943 0.0341389 -1.0829400 0.0874747 0.1439585 0.0587839 -1.4348576 15 Cl -1.0208826 -0.0600106 0.1443943 -0.0341389 -1.0829400 -0.0874747 0.1439585 -0.0587839 -1.4348576 16 Cl -1.0208826 0.0600106 0.1443943 0.0341389 -1.0829400 0.0874747 0.1439585 0.0587839 -1.4348576 17 Cl -1.3378590 0.0393469 0.0312530 0.0377763 -0.8808061 -0.0210085 0.0128927 -0.0157881 -1.3510252 18 Cl -1.3378590 -0.0393469 0.0312530 -0.0377763 -0.8808061 0.0210085 0.0128927 0.0157881 -1.3510252 19 Cl -1.3378590 0.0393469 0.0312530 0.0377763 -0.8808061 -0.0210085 0.0128927 -0.0157881 -1.3510252 20 Cl -1.3378590 -0.0393469 0.0312530 -0.0377763 -0.8808061 0.0210085 0.0128927 0.0157881 -1.3510252 21 Si 3.0589268 0.1009684 0.0876107 0.1138342 2.6758073 -0.1850637 0.0879808 -0.0696283 2.7126870 22 Si 3.0589268 -0.1009684 0.0876107 -0.1138342 2.6758073 0.1850637 0.0879808 0.0696283 2.7126870 23 Si 3.0589268 0.1009684 0.0876107 0.1138342 2.6758073 -0.1850637 0.0879808 -0.0696283 2.7126870 24 Si 3.0589268 -0.1009684 0.0876107 -0.1138342 2.6758073 0.1850637 0.0879808 0.0696283 2.7126870 25 O -1.9900390 0.0008025 -0.1898239 0.0043432 -2.2367053 0.2276946 -0.1492428 0.1654278 -1.5151443 26 O -1.9900390 -0.0008025 -0.1898239 -0.0043432 -2.2367053 -0.2276946 -0.1492428 -0.1654278 -1.5151443 27 O -1.9900390 0.0008025 -0.1898239 0.0043432 -2.2367053 0.2276946 -0.1492428 0.1654278 -1.5151443 28 O -1.9900390 -0.0008025 -0.1898239 -0.0043432 -2.2367053 -0.2276946 -0.1492428 -0.1654278 -1.5151443 29 O -2.0143964 -0.2160159 -0.2105445 -0.2499115 -2.2365706 0.1629105 -0.2282367 0.1425259 -1.5977375 30 O -2.0143964 0.2160159 -0.2105445 0.2499115 -2.2365706 -0.1629105 -0.2282367 -0.1425259 -1.5977375 31 O -2.0143964 -0.2160159 -0.2105445 -0.2499115 -2.2365706 0.1629105 -0.2282367 0.1425259 -1.5977375 32 O -2.0143964 0.2160159 -0.2105445 0.2499115 -2.2365706 -0.1629105 -0.2282367 -0.1425259 -1.5977375 33 O -2.0768289 0.2288227 0.3296337 0.2811824 -1.6682422 -0.0531936 0.3445177 -0.0818754 -1.9709365 34 O -2.0768289 -0.2288227 0.3296337 -0.2811824 -1.6682422 0.0531936 0.3445177 0.0818754 -1.9709365 35 O -2.0768289 0.2288227 0.3296337 0.2811824 -1.6682422 -0.0531936 0.3445177 -0.0818754 -1.9709365 36 O -2.0768289 -0.2288227 0.3296337 -0.2811824 -1.6682422 0.0531936 0.3445177 0.0818754 -1.9709365 37 O -1.7562537 0.1838034 -0.1983310 0.2418182 -1.6819950 0.2343460 -0.2104977 0.2214721 -2.2833943 38 O -1.7562537 -0.1838034 -0.1983310 -0.2418182 -1.6819950 -0.2343460 -0.2104977 -0.2214721 -2.2833943 39 O -1.7562537 0.1838034 -0.1983310 0.2418182 -1.6819950 0.2343460 -0.2104977 0.2214721 -2.2833943 40 O -1.7562537 -0.1838034 -0.1983310 -0.2418182 -1.6819950 -0.2343460 -0.2104977 -0.2214721 -2.2833943 ---------------------------------------------------------------------------- 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 25, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 73, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:03:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:03:46]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.731322360004794 0.000000000000000 0.000000000000000 b 0.000000000000000 6.688277239999998 0.000000000000000 c -2.907023829833380 0.000000000000000 10.386290775722919 Atomic positions (fractional): 1 Ca 0.80240453269632 0.74021757279192 0.95514641096352 40.078 2 Ca 0.19759546730368 0.24021757279191 0.54485358903648 40.078 3 Ca 0.19759546730368 0.25978242720808 0.04485358903648 40.078 4 Ca 0.80240453269632 0.75978242720808 0.45514641096352 40.078 5 Ca 0.91794837177263 0.45846674190219 0.72783016263902 40.078 6 Ca 0.08205162822737 0.95846674190219 0.77216983736098 40.078 7 Ca 0.08205162822737 0.54153325809781 0.27216983736098 40.078 8 Ca 0.91794837177263 0.04153325809781 0.22783016263902 40.078 9 Ca 0.57212646158253 0.21502774940532 0.88662246489160 40.078 10 Ca 0.42787353841747 0.71502774940532 0.61337753510840 40.078 11 Ca 0.42787353841747 0.78497225059468 0.11337753510840 40.078 12 Ca 0.57212646158253 0.28497225059468 0.38662246489160 40.078 13 Cl 0.49183778511225 0.79714709317306 0.87670791203369 35.453 14 Cl 0.50816221488775 0.29714709317306 0.62329208796631 35.453 15 Cl 0.50816221488775 0.20285290682694 0.12329208796631 35.453 16 Cl 0.49183778511225 0.70285290682694 0.37670791203369 35.453 17 Cl 0.71584059324331 0.82307746528192 0.68310581089670 35.453 18 Cl 0.28415940675669 0.32307746528192 0.81689418910330 35.453 19 Cl 0.28415940675669 0.17692253471808 0.31689418910330 35.453 20 Cl 0.71584059324331 0.67692253471808 0.18310581089670 35.453 21 Si 0.88064621360811 0.24966555201707 0.96976732855993 28.085 22 Si 0.11935378639189 0.74966555201707 0.53023267144007 28.085 23 Si 0.11935378639189 0.75033444798293 0.03023267144007 28.085 24 Si 0.88064621360811 0.25033444798293 0.46976732855993 28.085 25 O 0.76411986914600 0.41671907798151 0.89207835325550 15.999 26 O 0.23588013085400 0.91671907798151 0.60792164674450 15.999 27 O 0.23588013085400 0.58328092201849 0.10792164674450 15.999 28 O 0.76411986914600 0.08328092201849 0.39207835325550 15.999 29 O 0.77794406514535 0.06778090422943 0.99625575179884 15.999 30 O 0.22205593485465 0.56778090422943 0.50374424820116 15.999 31 O 0.22205593485465 0.93221909577057 0.00374424820116 15.999 32 O 0.77794406514535 0.43221909577057 0.49625575179884 15.999 33 O 0.98633139099435 0.19834875961887 0.87887101827044 15.999 34 O 0.01366860900565 0.69834875961887 0.62112898172956 15.999 35 O 0.01366860900565 0.80165124038113 0.12112898172956 15.999 36 O 0.98633139099435 0.30165124038113 0.37887101827044 15.999 37 O 0.98660014506716 0.18787746919303 0.61007125999828 15.999 38 O 0.01339985493284 0.68787746919303 0.88992874000172 15.999 39 O 0.01339985493284 0.81212253080697 0.38992874000172 15.999 40 O 0.98660014506716 0.31212253080697 0.11007125999828 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.731322360004794 0.000000000000000 0.000000000000000 b 0.000000000000000 13.376554479999996 0.000000000000000 c -2.907023829833380 0.000000000000000 10.386290775722919 Atomic positions (fractional): 1 Ca 0.80240453269632 0.37010878639596 0.95514641096352 40.078 > 1 2 Ca 0.80240453269632 0.87010878639596 0.95514641096352 40.078 > 1 3 Ca 0.19759546730368 0.12010878639596 0.54485358903648 40.078 > 3 4 Ca 0.19759546730368 0.62010878639596 0.54485358903648 40.078 > 3 5 Ca 0.19759546730368 0.12989121360404 0.04485358903648 40.078 > 5 6 Ca 0.19759546730368 0.62989121360404 0.04485358903648 40.078 > 5 7 Ca 0.80240453269632 0.37989121360404 0.45514641096352 40.078 > 7 8 Ca 0.80240453269632 0.87989121360404 0.45514641096352 40.078 > 7 9 Ca 0.91794837177263 0.22923337095110 0.72783016263902 40.078 > 9 10 Ca 0.91794837177263 0.72923337095109 0.72783016263902 40.078 > 9 11 Ca 0.08205162822737 0.47923337095109 0.77216983736098 40.078 > 11 12 Ca 0.08205162822737 0.97923337095109 0.77216983736098 40.078 > 11 13 Ca 0.08205162822737 0.27076662904891 0.27216983736098 40.078 > 13 14 Ca 0.08205162822737 0.77076662904891 0.27216983736098 40.078 > 13 15 Ca 0.91794837177263 0.02076662904890 0.22783016263902 40.078 > 15 16 Ca 0.91794837177263 0.52076662904891 0.22783016263902 40.078 > 15 17 Ca 0.57212646158253 0.10751387470266 0.88662246489160 40.078 > 17 18 Ca 0.57212646158253 0.60751387470266 0.88662246489160 40.078 > 17 19 Ca 0.42787353841747 0.35751387470266 0.61337753510840 40.078 > 19 20 Ca 0.42787353841747 0.85751387470266 0.61337753510840 40.078 > 19 21 Ca 0.42787353841747 0.39248612529734 0.11337753510840 40.078 > 21 22 Ca 0.42787353841747 0.89248612529734 0.11337753510840 40.078 > 21 23 Ca 0.57212646158253 0.14248612529734 0.38662246489160 40.078 > 23 24 Ca 0.57212646158253 0.64248612529734 0.38662246489160 40.078 > 23 25 Cl 0.49183778511225 0.39857354658653 0.87670791203369 35.453 > 25 26 Cl 0.49183778511225 0.89857354658653 0.87670791203369 35.453 > 25 27 Cl 0.50816221488775 0.14857354658653 0.62329208796631 35.453 > 27 28 Cl 0.50816221488775 0.64857354658653 0.62329208796631 35.453 > 27 29 Cl 0.50816221488775 0.10142645341347 0.12329208796631 35.453 > 29 30 Cl 0.50816221488775 0.60142645341347 0.12329208796631 35.453 > 29 31 Cl 0.49183778511225 0.35142645341347 0.37670791203369 35.453 > 31 32 Cl 0.49183778511225 0.85142645341347 0.37670791203369 35.453 > 31 33 Cl 0.71584059324331 0.41153873264096 0.68310581089670 35.453 > 33 34 Cl 0.71584059324331 0.91153873264096 0.68310581089670 35.453 > 33 35 Cl 0.28415940675669 0.16153873264096 0.81689418910330 35.453 > 35 36 Cl 0.28415940675669 0.66153873264096 0.81689418910330 35.453 > 35 37 Cl 0.28415940675669 0.08846126735904 0.31689418910330 35.453 > 37 38 Cl 0.28415940675669 0.58846126735904 0.31689418910330 35.453 > 37 39 Cl 0.71584059324331 0.33846126735904 0.18310581089670 35.453 > 39 40 Cl 0.71584059324331 0.83846126735904 0.18310581089670 35.453 > 39 41 Si 0.88064621360811 0.12483277600853 0.96976732855993 28.085 > 41 42 Si 0.88064621360811 0.62483277600854 0.96976732855993 28.085 > 41 43 Si 0.11935378639189 0.37483277600853 0.53023267144007 28.085 > 43 44 Si 0.11935378639189 0.87483277600854 0.53023267144007 28.085 > 43 45 Si 0.11935378639189 0.37516722399147 0.03023267144007 28.085 > 45 46 Si 0.11935378639189 0.87516722399146 0.03023267144007 28.085 > 45 47 Si 0.88064621360811 0.12516722399146 0.46976732855993 28.085 > 47 48 Si 0.88064621360811 0.62516722399146 0.46976732855993 28.085 > 47 49 O 0.76411986914600 0.20835953899075 0.89207835325550 15.999 > 49 50 O 0.76411986914600 0.70835953899075 0.89207835325550 15.999 > 49 51 O 0.23588013085400 0.45835953899075 0.60792164674450 15.999 > 51 52 O 0.23588013085400 0.95835953899075 0.60792164674450 15.999 > 51 53 O 0.23588013085400 0.29164046100925 0.10792164674450 15.999 > 53 54 O 0.23588013085400 0.79164046100925 0.10792164674450 15.999 > 53 55 O 0.76411986914600 0.04164046100925 0.39207835325550 15.999 > 55 56 O 0.76411986914600 0.54164046100925 0.39207835325550 15.999 > 55 57 O 0.77794406514535 0.03389045211472 0.99625575179884 15.999 > 57 58 O 0.77794406514535 0.53389045211472 0.99625575179884 15.999 > 57 59 O 0.22205593485465 0.28389045211472 0.50374424820116 15.999 > 59 60 O 0.22205593485465 0.78389045211472 0.50374424820116 15.999 > 59 61 O 0.22205593485465 0.46610954788528 0.00374424820116 15.999 > 61 62 O 0.22205593485465 0.96610954788528 0.00374424820116 15.999 > 61 63 O 0.77794406514535 0.21610954788528 0.49625575179884 15.999 > 63 64 O 0.77794406514535 0.71610954788528 0.49625575179884 15.999 > 63 65 O 0.98633139099435 0.09917437980944 0.87887101827044 15.999 > 65 66 O 0.98633139099435 0.59917437980944 0.87887101827044 15.999 > 65 67 O 0.01366860900565 0.34917437980944 0.62112898172956 15.999 > 67 68 O 0.01366860900565 0.84917437980944 0.62112898172956 15.999 > 67 69 O 0.01366860900565 0.40082562019056 0.12112898172956 15.999 > 69 70 O 0.01366860900565 0.90082562019056 0.12112898172956 15.999 > 69 71 O 0.98633139099435 0.15082562019056 0.37887101827044 15.999 > 71 72 O 0.98633139099435 0.65082562019056 0.37887101827044 15.999 > 71 73 O 0.98660014506716 0.09393873459652 0.61007125999828 15.999 > 73 74 O 0.98660014506716 0.59393873459652 0.61007125999828 15.999 > 73 75 O 0.01339985493284 0.34393873459652 0.88992874000172 15.999 > 75 76 O 0.01339985493284 0.84393873459652 0.88992874000172 15.999 > 75 77 O 0.01339985493284 0.40606126540348 0.38992874000172 15.999 > 77 78 O 0.01339985493284 0.90606126540348 0.38992874000172 15.999 > 77 79 O 0.98660014506716 0.15606126540348 0.11007125999828 15.999 > 79 80 O 0.98660014506716 0.65606126540348 0.11007125999828 15.999 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1134566 0.0000000 -0.0001954 0.0000000 3.0131604 0.0000000 -0.0001921 0.0000000 3.1236906 -------------------------- Born effective charges -------------------------- 1 Ca 2.3521140 -0.0790873 0.0155081 -0.1110386 2.4645576 0.2153388 0.0181220 0.0813481 2.2860276 2 Ca 2.3521140 0.0790873 0.0155081 0.1110386 2.4645576 -0.2153388 0.0181220 -0.0813481 2.2860276 3 Ca 2.3521140 -0.0790873 0.0155081 -0.1110386 2.4645576 0.2153388 0.0181220 0.0813481 2.2860276 4 Ca 2.3521140 0.0790873 0.0155081 0.1110386 2.4645576 -0.2153388 0.0181220 -0.0813481 2.2860276 5 Ca 2.0729899 -0.0350679 -0.1778865 -0.0090251 2.4944421 -0.0300634 -0.1910972 -0.0241631 2.8089192 6 Ca 2.0729899 0.0350679 -0.1778865 0.0090251 2.4944421 0.0300634 -0.1910972 0.0241631 2.8089192 7 Ca 2.0729899 -0.0350679 -0.1778865 -0.0090251 2.4944421 -0.0300634 -0.1910972 -0.0241631 2.8089192 8 Ca 2.0729899 0.0350679 -0.1778865 0.0090251 2.4944421 0.0300634 -0.1910972 0.0241631 2.8089192 9 Ca 2.7122288 0.0578001 0.1681862 0.0998926 2.1524522 -0.1877873 0.1716026 -0.1851187 2.3454617 10 Ca 2.7122288 -0.0578001 0.1681862 -0.0998926 2.1524522 0.1877873 0.1716026 0.1851187 2.3454617 11 Ca 2.7122288 0.0578001 0.1681862 0.0998926 2.1524522 -0.1877873 0.1716026 -0.1851187 2.3454617 12 Ca 2.7122288 -0.0578001 0.1681862 -0.0998926 2.1524522 0.1877873 0.1716026 0.1851187 2.3454617 13 Cl -1.0208826 -0.0600106 0.1443943 -0.0341389 -1.0829400 -0.0874747 0.1439585 -0.0587839 -1.4348576 14 Cl -1.0208826 0.0600106 0.1443943 0.0341389 -1.0829400 0.0874747 0.1439585 0.0587839 -1.4348576 15 Cl -1.0208826 -0.0600106 0.1443943 -0.0341389 -1.0829400 -0.0874747 0.1439585 -0.0587839 -1.4348576 16 Cl -1.0208826 0.0600106 0.1443943 0.0341389 -1.0829400 0.0874747 0.1439585 0.0587839 -1.4348576 17 Cl -1.3378590 0.0393469 0.0312530 0.0377763 -0.8808061 -0.0210085 0.0128927 -0.0157881 -1.3510252 18 Cl -1.3378590 -0.0393469 0.0312530 -0.0377763 -0.8808061 0.0210085 0.0128927 0.0157881 -1.3510252 19 Cl -1.3378590 0.0393469 0.0312530 0.0377763 -0.8808061 -0.0210085 0.0128927 -0.0157881 -1.3510252 20 Cl -1.3378590 -0.0393469 0.0312530 -0.0377763 -0.8808061 0.0210085 0.0128927 0.0157881 -1.3510252 21 Si 3.0589268 0.1009684 0.0876107 0.1138342 2.6758073 -0.1850637 0.0879808 -0.0696283 2.7126870 22 Si 3.0589268 -0.1009684 0.0876107 -0.1138342 2.6758073 0.1850637 0.0879808 0.0696283 2.7126870 23 Si 3.0589268 0.1009684 0.0876107 0.1138342 2.6758073 -0.1850637 0.0879808 -0.0696283 2.7126870 24 Si 3.0589268 -0.1009684 0.0876107 -0.1138342 2.6758073 0.1850637 0.0879808 0.0696283 2.7126870 25 O -1.9900390 0.0008025 -0.1898239 0.0043432 -2.2367053 0.2276946 -0.1492428 0.1654278 -1.5151443 26 O -1.9900390 -0.0008025 -0.1898239 -0.0043432 -2.2367053 -0.2276946 -0.1492428 -0.1654278 -1.5151443 27 O -1.9900390 0.0008025 -0.1898239 0.0043432 -2.2367053 0.2276946 -0.1492428 0.1654278 -1.5151443 28 O -1.9900390 -0.0008025 -0.1898239 -0.0043432 -2.2367053 -0.2276946 -0.1492428 -0.1654278 -1.5151443 29 O -2.0143964 -0.2160159 -0.2105445 -0.2499115 -2.2365706 0.1629105 -0.2282367 0.1425259 -1.5977375 30 O -2.0143964 0.2160159 -0.2105445 0.2499115 -2.2365706 -0.1629105 -0.2282367 -0.1425259 -1.5977375 31 O -2.0143964 -0.2160159 -0.2105445 -0.2499115 -2.2365706 0.1629105 -0.2282367 0.1425259 -1.5977375 32 O -2.0143964 0.2160159 -0.2105445 0.2499115 -2.2365706 -0.1629105 -0.2282367 -0.1425259 -1.5977375 33 O -2.0768289 0.2288227 0.3296337 0.2811824 -1.6682422 -0.0531936 0.3445177 -0.0818754 -1.9709365 34 O -2.0768289 -0.2288227 0.3296337 -0.2811824 -1.6682422 0.0531936 0.3445177 0.0818754 -1.9709365 35 O -2.0768289 0.2288227 0.3296337 0.2811824 -1.6682422 -0.0531936 0.3445177 -0.0818754 -1.9709365 36 O -2.0768289 -0.2288227 0.3296337 -0.2811824 -1.6682422 0.0531936 0.3445177 0.0818754 -1.9709365 37 O -1.7562537 0.1838034 -0.1983310 0.2418182 -1.6819950 0.2343460 -0.2104977 0.2214721 -2.2833943 38 O -1.7562537 -0.1838034 -0.1983310 -0.2418182 -1.6819950 -0.2343460 -0.2104977 -0.2214721 -2.2833943 39 O -1.7562537 0.1838034 -0.1983310 0.2418182 -1.6819950 0.2343460 -0.2104977 0.2214721 -2.2833943 40 O -1.7562537 -0.1838034 -0.1983310 -0.2418182 -1.6819950 -0.2343460 -0.2104977 -0.2214721 -2.2833943 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 7 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: 0.47, Number of G-points: 297, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/52) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 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 1.617 ( 0.000 0.000 0.000) 0.000 1.873 ( 0.000 0.000 0.000) 0.000 2.231 ( 0.000 0.000 0.000) 0.000 2.402 ( 0.000 0.000 0.000) 0.000 2.517 ( 0.000 0.000 0.000) 0.000 2.545 ( 0.000 0.000 0.000) 0.000 2.659 ( 0.000 0.000 0.000) 0.000 2.668 ( 0.000 0.000 0.000) 0.000 2.697 ( 0.000 0.000 0.000) 0.000 2.831 ( 0.000 0.000 0.000) 0.000 2.898 ( 0.000 0.000 0.000) 0.000 2.999 ( 0.000 0.000 0.000) 0.000 3.354 ( 0.000 0.000 0.000) 0.000 3.382 ( 0.000 0.000 0.000) 0.000 3.557 ( 0.000 0.000 0.000) 0.000 3.618 ( 0.000 0.000 0.000) 0.000 3.713 ( 0.000 0.000 0.000) 0.000 3.723 ( 0.000 0.000 0.000) 0.000 3.847 ( 0.000 0.000 0.000) 0.000 3.876 ( 0.000 0.000 0.000) 0.000 3.920 ( 0.000 0.000 0.000) 0.000 3.997 ( 0.000 0.000 0.000) 0.000 4.075 ( 0.000 0.000 0.000) 0.000 4.126 ( 0.000 0.000 0.000) 0.000 4.341 ( 0.000 0.000 0.000) 0.000 4.361 ( 0.000 0.000 0.000) 0.000 4.435 ( 0.000 0.000 0.000) 0.000 4.448 ( 0.000 0.000 0.000) 0.000 4.593 ( 0.000 0.000 0.000) 0.000 4.742 ( 0.000 0.000 0.000) 0.000 4.876 ( 0.000 0.000 0.000) 0.000 4.885 ( 0.000 0.000 0.000) 0.000 4.949 ( 0.000 0.000 0.000) 0.000 4.950 ( 0.000 0.000 0.000) 0.000 5.044 ( 0.000 0.000 0.000) 0.000 5.075 ( 0.000 0.000 0.000) 0.000 5.225 ( 0.000 0.000 0.000) 0.000 5.236 ( 0.000 0.000 0.000) 0.000 5.427 ( 0.000 0.000 0.000) 0.000 5.498 ( 0.000 0.000 0.000) 0.000 5.706 ( 0.000 0.000 0.000) 0.000 5.709 ( 0.000 0.000 0.000) 0.000 5.830 ( 0.000 0.000 0.000) 0.000 5.953 ( 0.000 0.000 0.000) 0.000 6.051 ( 0.000 0.000 0.000) 0.000 6.131 ( 0.000 0.000 0.000) 0.000 6.240 ( 0.000 0.000 0.000) 0.000 6.289 ( 0.000 0.000 0.000) 0.000 6.418 ( 0.000 0.000 0.000) 0.000 6.445 ( 0.000 0.000 0.000) 0.000 6.496 ( 0.000 0.000 0.000) 0.000 6.496 ( 0.000 0.000 0.000) 0.000 6.659 ( 0.000 0.000 0.000) 0.000 6.765 ( 0.000 0.000 0.000) 0.000 6.824 ( 0.000 0.000 0.000) 0.000 6.838 ( 0.000 0.000 0.000) 0.000 6.938 ( 0.000 0.000 0.000) 0.000 7.017 ( 0.000 0.000 0.000) 0.000 7.051 ( 0.000 0.000 0.000) 0.000 7.202 ( 0.000 0.000 0.000) 0.000 7.233 ( 0.000 0.000 0.000) 0.000 7.263 ( 0.000 0.000 0.000) 0.000 7.486 ( 0.000 0.000 0.000) 0.000 7.577 ( 0.000 0.000 0.000) 0.000 7.703 ( 0.000 0.000 0.000) 0.000 8.180 ( 0.000 0.000 0.000) 0.000 8.248 ( 0.000 0.000 0.000) 0.000 8.269 ( 0.000 0.000 0.000) 0.000 8.352 ( 0.000 0.000 0.000) 0.000 8.669 ( 0.000 0.000 0.000) 0.000 8.853 ( 0.000 0.000 0.000) 0.000 8.890 ( 0.000 0.000 0.000) 0.000 9.084 ( 0.000 0.000 0.000) 0.000 9.156 ( 0.000 0.000 0.000) 0.000 9.164 ( 0.000 0.000 0.000) 0.000 9.321 ( 0.000 0.000 0.000) 0.000 9.452 ( 0.000 0.000 0.000) 0.000 10.257 ( 0.000 0.000 0.000) 0.000 10.264 ( 0.000 0.000 0.000) 0.000 10.676 ( 0.000 0.000 0.000) 0.000 10.686 ( 0.000 0.000 0.000) 0.000 10.759 ( 0.000 0.000 0.000) 0.000 10.784 ( 0.000 0.000 0.000) 0.000 10.800 ( 0.000 0.000 0.000) 0.000 11.608 ( 0.000 0.000 0.000) 0.000 12.771 ( 0.000 0.000 0.000) 0.000 13.094 ( 0.000 0.000 0.000) 0.000 13.225 ( 0.000 0.000 0.000) 0.000 13.536 ( 0.000 0.000 0.000) 0.000 13.771 ( 0.000 0.000 0.000) 0.000 13.856 ( 0.000 0.000 0.000) 0.000 14.302 ( 0.000 0.000 0.000) 0.000 14.515 ( 0.000 0.000 0.000) 0.000 15.356 ( 0.000 0.000 0.000) 0.000 15.531 ( 0.000 0.000 0.000) 0.000 15.550 ( 0.000 0.000 0.000) 0.000 16.315 ( 0.000 0.000 0.000) 0.000 16.317 ( 0.000 0.000 0.000) 0.000 16.400 ( 0.000 0.000 0.000) 0.000 17.204 ( 0.000 0.000 0.000) 0.000 17.245 ( 0.000 0.000 0.000) 0.000 24.479 ( 0.000 0.000 0.000) 0.000 24.647 ( 0.000 0.000 0.000) 0.000 24.666 ( 0.000 0.000 0.000) 0.000 24.682 ( 0.000 0.000 0.000) 0.000 25.230 ( 0.000 0.000 0.000) 0.000 25.405 ( 0.000 0.000 0.000) 0.000 25.576 ( 0.000 0.000 0.000) 0.000 25.833 ( 0.000 0.000 0.000) 0.000 26.844 ( 0.000 0.000 0.000) 0.000 27.170 ( 0.000 0.000 0.000) 0.000 27.333 ( 0.000 0.000 0.000) 0.000 27.542 ( 0.000 0.000 0.000) 0.000 27.931 ( 0.000 0.000 0.000) 0.000 28.236 ( 0.000 0.000 0.000) 0.000 28.501 ( 0.000 0.000 0.000) 0.000 28.958 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/52) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 24.053 0.000 6.023) 24.796 0.560 ( 22.927 0.000 12.466) 26.097 1.195 ( 47.130 0.000 20.437) 51.370 1.690 ( 4.948 0.000 1.642) 5.213 1.879 ( 2.371 0.000 0.768) 2.492 2.167 ( -4.166 0.000 2.862) 5.055 2.250 ( -12.606 0.000 -0.983) 12.645 2.428 ( -9.232 0.000 1.734) 9.393 2.469 ( -13.127 0.000 -5.353) 14.176 2.635 ( 6.045 0.000 0.970) 6.122 2.808 ( 4.732 0.000 5.437) 7.208 2.821 ( 4.516 0.000 -10.654) 11.571 2.849 ( 17.117 0.000 -2.116) 17.247 2.976 ( 6.634 0.000 -6.396) 9.215 3.102 ( 9.007 0.000 0.383) 9.015 3.354 ( -2.846 0.000 -3.574) 4.569 3.447 ( 3.031 0.000 1.917) 3.586 3.520 ( -4.611 0.000 -4.618) 6.526 3.619 ( -3.180 0.000 1.766) 3.638 3.681 ( 0.201 0.000 7.855) 7.857 3.768 ( 3.464 0.000 -0.393) 3.486 3.874 ( -2.458 0.000 -0.013) 2.458 3.907 ( 5.784 0.000 -0.219) 5.788 4.008 ( 2.132 0.000 -0.695) 2.243 4.089 ( 3.053 0.000 0.685) 3.129 4.147 ( -11.553 0.000 -6.135) 13.081 4.244 ( -0.423 0.000 -2.253) 2.292 4.320 ( -2.859 0.000 9.002) 9.445 4.329 ( -2.793 0.000 4.869) 5.613 4.400 ( -2.550 0.000 -4.054) 4.789 4.468 ( 1.386 0.000 0.396) 1.442 4.588 ( 1.048 0.000 -1.397) 1.747 4.698 ( -3.044 0.000 2.835) 4.159 4.868 ( 2.219 0.000 -8.771) 9.048 4.916 ( 1.989 0.000 1.784) 2.671 4.961 ( 0.260 0.000 -0.168) 0.309 4.963 ( 3.852 0.000 -18.358) 18.758 4.985 ( 1.762 0.000 4.005) 4.375 5.218 ( -0.954 0.000 -0.451) 1.055 5.236 ( -2.509 0.000 1.198) 2.781 5.330 ( 8.732 0.000 1.316) 8.831 5.410 ( -3.239 0.000 7.280) 7.968 5.536 ( 3.390 0.000 1.519) 3.715 5.613 ( -12.637 0.000 -9.342) 15.715 5.684 ( -12.115 0.000 2.663) 12.404 5.763 ( 7.260 0.000 3.257) 7.957 5.867 ( -6.451 0.000 0.744) 6.494 5.954 ( -10.841 0.000 -5.524) 12.167 6.138 ( 1.155 0.000 -1.081) 1.582 6.249 ( -5.569 0.000 8.800) 10.414 6.266 ( -1.654 0.000 6.476) 6.684 6.338 ( -3.167 0.000 -2.552) 4.068 6.412 ( 0.574 0.000 3.058) 3.111 6.505 ( -1.633 0.000 2.288) 2.811 6.604 ( -0.774 0.000 0.613) 0.988 6.649 ( 0.063 0.000 6.529) 6.530 6.698 ( -2.798 0.000 -2.185) 3.550 6.745 ( -10.323 0.000 -4.935) 11.442 6.783 ( -0.756 0.000 1.931) 2.074 6.874 ( 0.497 0.000 -0.941) 1.064 7.039 ( 2.147 0.000 -9.987) 10.215 7.047 ( -2.522 0.000 1.142) 2.769 7.213 ( 1.501 0.000 -0.935) 1.768 7.343 ( 4.268 0.000 2.420) 4.906 7.399 ( 9.450 0.000 14.575) 17.370 7.547 ( 4.504 0.000 -3.821) 5.906 7.622 ( 2.114 0.000 4.465) 4.940 7.786 ( 7.546 0.000 -24.346) 25.489 8.089 ( -2.257 0.000 -1.179) 2.547 8.251 ( 0.103 0.000 0.816) 0.823 8.373 ( -1.924 0.000 -3.505) 3.998 8.447 ( 6.729 0.000 12.367) 14.079 8.625 ( -1.240 0.000 -9.470) 9.551 8.839 ( -2.317 0.000 4.192) 4.790 9.045 ( -2.319 0.000 -0.353) 2.346 9.097 ( -2.377 0.000 6.906) 7.303 9.177 ( 1.125 0.000 -3.465) 3.643 9.304 ( 9.781 0.000 5.073) 11.018 9.409 ( -0.919 0.000 -7.709) 7.764 10.250 ( -0.018 0.000 0.739) 0.740 10.255 ( -0.051 0.000 -0.117) 0.128 10.666 ( -0.007 0.000 -2.560) 2.560 10.721 ( 2.700 0.000 0.623) 2.771 10.771 ( 0.688 0.000 0.538) 0.874 10.782 ( -0.082 0.000 0.089) 0.121 10.798 ( -0.151 0.000 0.136) 0.203 10.994 ( -3.817 0.000 0.590) 3.862 11.916 ( -7.638 0.000 1.762) 7.838 12.770 ( -1.075 0.000 3.374) 3.542 13.103 ( 0.159 0.000 -0.946) 0.960 13.236 ( 0.389 0.000 0.890) 0.972 13.611 ( 5.961 0.000 0.835) 6.020 13.764 ( -0.379 0.000 0.086) 0.389 13.850 ( -0.445 0.000 0.121) 0.461 14.310 ( 1.091 0.000 -1.056) 1.518 14.489 ( -2.370 0.000 -0.451) 2.412 15.362 ( 0.219 0.000 1.067) 1.089 15.530 ( -0.053 0.000 -0.276) 0.281 15.550 ( -0.433 0.000 0.725) 0.845 16.275 ( -0.393 0.000 -2.005) 2.043 16.354 ( 1.024 0.000 -0.677) 1.227 17.108 ( -4.233 0.000 2.022) 4.692 17.206 ( 0.333 0.000 -0.490) 0.593 17.303 ( 2.700 0.000 2.216) 3.493 24.475 ( -0.299 0.000 -0.020) 0.300 24.646 ( -0.537 0.000 -0.235) 0.586 24.684 ( 0.943 0.000 0.042) 0.944 24.685 ( 0.297 0.000 -0.200) 0.358 25.230 ( 0.077 0.000 -0.153) 0.172 25.413 ( 0.663 0.000 0.102) 0.671 25.574 ( -0.151 0.000 0.164) 0.223 25.825 ( -0.639 0.000 -0.303) 0.707 26.844 ( -0.022 0.000 0.022) 0.031 27.173 ( -0.697 0.000 2.692) 2.781 27.334 ( 0.133 0.000 -0.164) 0.211 27.538 ( -0.707 0.000 1.667) 1.811 27.928 ( 0.359 0.000 -2.809) 2.832 28.245 ( 0.715 0.000 0.218) 0.747 28.961 ( -0.260 0.000 1.995) 2.012 29.737 ( -0.193 0.000 -2.384) 2.392 ======================= Grid point 2 (3/52) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 16.991 0.000 3.933) 17.440 1.039 ( 15.387 0.000 6.902) 16.865 1.669 ( -5.555 0.000 1.619) 5.786 1.852 ( -15.753 0.000 -3.310) 16.097 1.861 ( 8.869 0.000 8.771) 12.474 2.151 ( -10.064 0.000 -8.870) 13.415 2.203 ( 0.752 0.000 2.759) 2.859 2.250 ( 21.029 0.000 6.793) 22.099 2.439 ( 5.787 0.000 10.423) 11.922 2.716 ( -8.094 0.000 -16.070) 17.993 2.780 ( -2.376 0.000 -1.217) 2.670 2.808 ( 12.014 0.000 0.962) 12.053 2.984 ( -0.998 0.000 -5.809) 5.894 3.228 ( 3.199 0.000 1.965) 3.754 3.270 ( 12.012 0.000 3.174) 12.424 3.418 ( 11.673 0.000 1.940) 11.833 3.488 ( -0.115 0.000 -1.104) 1.110 3.491 ( 2.853 0.000 -5.298) 6.018 3.554 ( -4.739 0.000 3.683) 6.002 3.710 ( -13.065 0.000 -2.514) 13.305 3.776 ( 2.886 0.000 4.762) 5.568 3.835 ( -0.525 0.000 0.982) 1.113 3.842 ( -6.359 0.000 -2.855) 6.971 3.978 ( -10.403 0.000 -3.141) 10.866 4.059 ( 7.649 0.000 -1.724) 7.841 4.124 ( 5.748 0.000 0.916) 5.821 4.216 ( 2.934 0.000 1.433) 3.265 4.283 ( -6.849 0.000 -0.649) 6.879 4.318 ( -0.563 0.000 4.994) 5.026 4.441 ( 2.202 0.000 2.186) 3.103 4.451 ( -0.958 0.000 -0.730) 1.204 4.676 ( 7.105 0.000 2.128) 7.417 4.691 ( 0.721 0.000 3.583) 3.655 4.840 ( -1.042 0.000 -4.719) 4.832 4.895 ( -5.704 0.000 -2.761) 6.338 4.985 ( 7.202 0.000 -16.918) 18.388 5.009 ( 5.390 0.000 -2.637) 6.001 5.035 ( -1.450 0.000 5.651) 5.834 5.109 ( -7.981 0.000 7.658) 11.061 5.157 ( 1.282 0.000 -8.507) 8.603 5.352 ( -9.525 0.000 1.048) 9.582 5.359 ( -2.698 0.000 2.079) 3.406 5.411 ( -0.528 0.000 -0.099) 0.537 5.428 ( -11.681 0.000 2.600) 11.966 5.661 ( 7.965 0.000 -1.484) 8.102 5.673 ( -7.302 0.000 -6.058) 9.487 5.806 ( -1.428 0.000 1.944) 2.412 5.985 ( 7.548 0.000 1.691) 7.735 6.055 ( -11.585 0.000 5.430) 12.794 6.174 ( 2.809 0.000 -0.253) 2.821 6.268 ( -1.711 0.000 0.129) 1.716 6.322 ( 1.322 0.000 -1.097) 1.718 6.445 ( -1.493 0.000 7.470) 7.618 6.483 ( -0.581 0.000 -0.865) 1.042 6.530 ( -3.333 0.000 1.104) 3.511 6.631 ( -0.448 0.000 1.397) 1.468 6.650 ( 0.168 0.000 -0.318) 0.360 6.741 ( 0.640 0.000 0.977) 1.168 6.760 ( -0.322 0.000 1.473) 1.508 6.884 ( 0.720 0.000 -0.989) 1.223 6.975 ( -3.005 0.000 -1.290) 3.270 7.045 ( 1.238 0.000 -2.129) 2.462 7.254 ( 2.711 0.000 -0.826) 2.834 7.374 ( -1.788 0.000 1.003) 2.050 7.586 ( 1.776 0.000 4.910) 5.221 7.588 ( 1.470 0.000 -2.807) 3.169 7.722 ( 1.153 0.000 17.060) 17.099 7.791 ( 5.186 0.000 -21.388) 22.007 8.094 ( 1.437 0.000 0.315) 1.472 8.264 ( 0.508 0.000 1.453) 1.540 8.315 ( -1.579 0.000 -2.752) 3.173 8.523 ( -1.718 0.000 -3.047) 3.498 8.619 ( 1.419 0.000 7.024) 7.166 8.818 ( -1.286 0.000 2.411) 2.732 9.019 ( 0.701 0.000 -2.615) 2.707 9.091 ( -0.676 0.000 1.786) 1.909 9.162 ( -0.460 0.000 -2.075) 2.126 9.366 ( 0.514 0.000 -5.117) 5.143 9.509 ( 5.768 0.000 2.422) 6.256 10.253 ( 0.037 0.000 0.242) 0.244 10.254 ( -0.005 0.000 -0.052) 0.052 10.653 ( -0.018 0.000 -1.404) 1.404 10.766 ( 1.930 0.000 -2.579) 3.221 10.784 ( 0.346 0.000 0.156) 0.380 10.786 ( -0.925 0.000 2.819) 2.967 10.796 ( -0.090 0.000 0.113) 0.145 10.925 ( -1.796 0.000 0.000) 1.796 11.778 ( -4.379 0.000 -0.452) 4.402 12.765 ( -0.797 0.000 2.008) 2.160 13.102 ( 0.079 0.000 -0.169) 0.187 13.239 ( -0.309 0.000 0.364) 0.478 13.727 ( 3.503 0.000 0.142) 3.506 13.765 ( 0.167 0.000 0.209) 0.267 13.846 ( -0.021 0.000 0.439) 0.440 14.330 ( 0.965 0.000 -0.546) 1.108 14.435 ( -1.877 0.000 -0.338) 1.908 15.372 ( 0.204 0.000 0.443) 0.488 15.527 ( -0.039 0.000 -0.188) 0.192 15.539 ( -0.660 0.000 0.335) 0.740 16.283 ( 1.523 0.000 -0.972) 1.807 16.348 ( -0.892 0.000 -0.622) 1.087 17.052 ( -1.576 0.000 0.222) 1.591 17.210 ( 0.200 0.000 -0.302) 0.363 17.352 ( 1.097 0.000 0.725) 1.314 24.469 ( -0.174 0.000 -0.017) 0.175 24.638 ( -0.180 0.000 -0.057) 0.189 24.689 ( 0.174 0.000 -0.119) 0.211 24.699 ( 0.402 0.000 0.041) 0.404 25.231 ( 0.046 0.000 -0.086) 0.097 25.427 ( 0.437 0.000 0.068) 0.442 25.572 ( -0.094 0.000 0.102) 0.139 25.811 ( -0.412 0.000 -0.187) 0.452 26.843 ( -0.014 0.000 0.013) 0.019 27.174 ( -0.139 0.000 0.623) 0.638 27.335 ( 0.080 0.000 -0.111) 0.136 27.537 ( -0.285 0.000 1.114) 1.150 27.915 ( -0.082 0.000 -1.837) 1.838 28.261 ( 0.452 0.000 0.138) 0.472 28.968 ( -0.030 0.000 1.250) 1.250 29.720 ( -0.360 0.000 -0.652) 0.745 ======================= Grid point 5 (4/52) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( 0.000 27.694 0.000) 27.694 0.700 ( 0.000 31.435 0.000) 31.435 1.001 ( 0.000 41.615 0.000) 41.615 1.718 ( 0.000 7.502 0.000) 7.502 1.842 ( 0.000 -0.596 0.000) 0.596 2.305 ( 0.000 2.755 0.000) 2.755 2.421 ( 0.000 0.149 0.000) 0.149 2.470 ( 0.000 1.424 0.000) 1.424 2.599 ( 0.000 3.315 0.000) 3.315 2.677 ( 0.000 5.482 0.000) 5.482 2.703 ( 0.000 1.473 0.000) 1.473 2.785 ( 0.000 4.721 0.000) 4.721 2.933 ( 0.000 -0.210 0.000) 0.210 3.011 ( 0.000 9.979 0.000) 9.979 3.113 ( 0.000 -2.470 0.000) 2.470 3.350 ( 0.000 -0.559 0.000) 0.559 3.432 ( 0.000 3.305 0.000) 3.305 3.451 ( 0.000 -7.357 0.000) 7.357 3.644 ( 0.000 -4.385 0.000) 4.385 3.703 ( 0.000 -10.081 0.000) 10.081 3.767 ( 0.000 -3.715 0.000) 3.715 3.799 ( 0.000 2.789 0.000) 2.789 3.979 ( 0.000 5.571 0.000) 5.571 3.982 ( 0.000 1.395 0.000) 1.395 4.065 ( 0.000 -4.417 0.000) 4.417 4.223 ( 0.000 12.020 0.000) 12.020 4.233 ( 0.000 -4.184 0.000) 4.184 4.271 ( 0.000 4.969 0.000) 4.969 4.421 ( 0.000 -0.785 0.000) 0.785 4.442 ( 0.000 0.849 0.000) 0.849 4.562 ( 0.000 13.717 0.000) 13.717 4.593 ( 0.000 1.227 0.000) 1.227 4.774 ( 0.000 0.833 0.000) 0.833 4.779 ( 0.000 -4.535 0.000) 4.535 4.866 ( 0.000 -3.397 0.000) 3.397 5.008 ( 0.000 2.757 0.000) 2.757 5.017 ( 0.000 4.342 0.000) 4.342 5.150 ( 0.000 4.143 0.000) 4.143 5.165 ( 0.000 9.052 0.000) 9.052 5.182 ( 0.000 -3.263 0.000) 3.263 5.307 ( 0.000 4.640 0.000) 4.640 5.448 ( 0.000 2.012 0.000) 2.012 5.535 ( 0.000 1.799 0.000) 1.799 5.628 ( 0.000 -7.333 0.000) 7.333 5.683 ( 0.000 -2.081 0.000) 2.081 5.840 ( 0.000 1.131 0.000) 1.131 6.062 ( 0.000 7.007 0.000) 7.007 6.102 ( 0.000 -3.581 0.000) 3.581 6.121 ( 0.000 6.023 0.000) 6.023 6.251 ( 0.000 -1.569 0.000) 1.569 6.270 ( 0.000 2.098 0.000) 2.098 6.335 ( 0.000 -10.012 0.000) 10.012 6.394 ( 0.000 -3.903 0.000) 3.903 6.500 ( 0.000 1.983 0.000) 1.983 6.510 ( 0.000 -0.448 0.000) 0.448 6.624 ( 0.000 1.755 0.000) 1.755 6.729 ( 0.000 -3.533 0.000) 3.533 6.752 ( 0.000 -5.159 0.000) 5.159 6.828 ( 0.000 -0.452 0.000) 0.452 7.024 ( 0.000 6.761 0.000) 6.761 7.077 ( 0.000 4.705 0.000) 4.705 7.185 ( 0.000 5.710 0.000) 5.710 7.236 ( 0.000 5.659 0.000) 5.659 7.416 ( 0.000 7.818 0.000) 7.818 7.488 ( 0.000 0.300 0.000) 0.300 7.551 ( 0.000 2.894 0.000) 2.894 7.626 ( 0.000 4.229 0.000) 4.229 7.664 ( 0.000 -3.868 0.000) 3.868 8.247 ( 0.000 -3.112 0.000) 3.112 8.261 ( 0.000 3.422 0.000) 3.422 8.313 ( 0.000 4.589 0.000) 4.589 8.372 ( 0.000 2.056 0.000) 2.056 8.568 ( 0.000 -8.102 0.000) 8.102 8.686 ( 0.000 -6.704 0.000) 6.704 8.966 ( 0.000 -2.720 0.000) 2.720 9.028 ( 0.000 2.138 0.000) 2.138 9.135 ( 0.000 -0.987 0.000) 0.987 9.303 ( 0.000 -0.382 0.000) 0.382 9.438 ( 0.000 6.312 0.000) 6.312 9.601 ( 0.000 -4.422 0.000) 4.422 10.191 ( 0.000 -4.933 0.000) 4.933 10.567 ( 0.000 -11.247 0.000) 11.247 10.662 ( 0.000 -5.936 0.000) 5.936 10.703 ( 0.000 -6.183 0.000) 6.183 10.739 ( 0.000 2.422 0.000) 2.422 10.823 ( 0.000 0.592 0.000) 0.592 11.079 ( 0.000 -9.312 0.000) 9.312 11.595 ( 0.000 -1.463 0.000) 1.463 12.744 ( 0.000 -0.471 0.000) 0.471 13.290 ( 0.000 15.859 0.000) 15.859 13.510 ( 0.000 -4.748 0.000) 4.748 13.633 ( 0.000 -3.156 0.000) 3.156 13.993 ( 0.000 7.546 0.000) 7.546 14.151 ( 0.000 -10.136 0.000) 10.136 14.504 ( 0.000 1.323 0.000) 1.323 14.606 ( 0.000 4.796 0.000) 4.796 15.317 ( 0.000 -3.379 0.000) 3.379 15.492 ( 0.000 -3.524 0.000) 3.524 15.623 ( 0.000 2.880 0.000) 2.880 16.284 ( 0.000 -2.824 0.000) 2.824 16.359 ( 0.000 3.512 0.000) 3.512 16.452 ( 0.000 4.753 0.000) 4.753 17.143 ( 0.000 -5.389 0.000) 5.389 17.219 ( 0.000 -2.501 0.000) 2.501 24.483 ( 0.000 -0.375 0.000) 0.375 24.631 ( 0.000 -1.171 0.000) 1.171 24.672 ( 0.000 0.441 0.000) 0.441 24.681 ( 0.000 -0.206 0.000) 0.206 25.327 ( 0.000 8.425 0.000) 8.425 25.626 ( 0.000 4.214 0.000) 4.214 25.913 ( 0.000 7.119 0.000) 7.119 26.819 ( 0.000 -2.262 0.000) 2.262 26.865 ( 0.000 1.802 0.000) 1.802 27.170 ( 0.000 -0.069 0.000) 0.069 27.387 ( 0.000 4.929 0.000) 4.929 27.527 ( 0.000 -1.110 0.000) 1.110 27.905 ( 0.000 -3.358 0.000) 3.358 28.205 ( 0.000 -2.770 0.000) 2.770 28.480 ( 0.000 -1.815 0.000) 1.815 28.873 ( 0.000 -7.652 0.000) 7.652 ======================= Grid point 6 (5/52) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 14.284 24.434 4.819) 28.710 0.961 ( 17.582 23.319 7.900) 30.254 1.435 ( 29.483 21.072 13.769) 38.767 1.768 ( 1.429 6.266 2.414) 6.866 1.882 ( 8.618 2.045 -0.943) 8.907 2.272 ( -2.231 6.117 0.691) 6.548 2.333 ( -9.330 4.613 -2.733) 10.761 2.414 ( -5.221 1.370 4.769) 7.202 2.547 ( -6.432 1.943 -1.912) 6.986 2.592 ( -4.913 2.591 -2.793) 6.217 2.763 ( 4.143 1.599 1.249) 4.613 2.871 ( -3.832 1.158 -3.120) 5.076 2.948 ( 16.613 5.986 -8.388) 19.550 3.045 ( 11.529 1.632 0.425) 11.652 3.218 ( 3.441 2.770 -2.748) 5.202 3.311 ( 0.450 -2.322 -1.146) 2.629 3.367 ( -3.189 0.700 -4.787) 5.794 3.482 ( -5.908 -1.798 3.420) 7.059 3.610 ( 3.859 -2.065 4.964) 6.618 3.711 ( 0.345 -0.818 6.426) 6.487 3.732 ( 1.145 0.209 -3.261) 3.462 3.842 ( 1.240 -6.307 -4.690) 7.957 3.904 ( 2.197 3.566 4.034) 5.815 4.038 ( -2.240 -2.233 -2.415) 3.979 4.156 ( 4.025 3.586 -0.863) 5.459 4.229 ( 0.133 -4.824 1.383) 5.020 4.231 ( -4.404 9.277 0.111) 10.270 4.317 ( 4.715 4.619 6.461) 9.236 4.361 ( -1.936 2.916 -2.934) 4.567 4.414 ( -2.230 3.258 -1.377) 4.181 4.541 ( -1.797 -0.410 -1.167) 2.182 4.569 ( 0.722 6.913 -2.444) 7.367 4.735 ( -4.131 1.372 4.776) 6.462 4.847 ( 4.814 -2.371 -3.020) 6.158 4.929 ( 4.416 0.283 -2.673) 5.170 4.970 ( -0.017 0.222 0.620) 0.658 5.018 ( 0.716 5.453 -1.371) 5.668 5.038 ( -0.556 4.939 -11.842) 12.843 5.161 ( -2.357 -4.424 1.404) 5.206 5.306 ( -3.055 5.030 -1.420) 6.054 5.387 ( 6.034 4.479 1.314) 7.628 5.428 ( -5.261 0.876 4.514) 6.987 5.541 ( 1.860 1.494 -3.276) 4.052 5.645 ( -0.726 0.966 -1.410) 1.857 5.670 ( -8.242 -2.723 3.887) 9.510 5.729 ( -2.069 -1.379 3.569) 4.350 5.925 ( -8.212 4.715 -8.049) 12.428 6.023 ( -8.910 5.868 -1.952) 10.846 6.101 ( -2.480 -3.120 1.892) 4.412 6.195 ( -4.504 -6.261 2.538) 8.119 6.263 ( -1.156 -1.301 4.391) 4.723 6.306 ( -1.522 -1.850 -0.193) 2.403 6.400 ( -0.332 -1.984 4.609) 5.029 6.509 ( -1.360 0.773 4.224) 4.505 6.552 ( -0.497 -2.957 2.294) 3.775 6.600 ( -0.227 0.235 -1.295) 1.335 6.665 ( -1.421 0.503 -1.089) 1.859 6.724 ( -1.553 -2.032 1.471) 2.951 6.821 ( -2.823 1.270 0.977) 3.246 6.905 ( -5.041 2.752 -0.603) 5.775 7.003 ( 2.296 2.231 -1.823) 3.684 7.136 ( -3.672 1.317 -2.380) 4.570 7.249 ( 0.485 6.802 -2.166) 7.155 7.334 ( -2.466 5.210 0.248) 5.770 7.533 ( 2.149 2.968 3.244) 4.894 7.607 ( 4.033 4.584 9.079) 10.941 7.644 ( 4.176 1.217 1.342) 4.552 7.746 ( 6.970 -3.610 -16.327) 18.116 8.130 ( -3.685 2.964 -0.912) 4.816 8.277 ( -1.083 1.984 3.336) 4.030 8.356 ( -0.506 -1.160 -1.839) 2.232 8.445 ( 3.784 1.093 7.582) 8.544 8.556 ( -0.205 -5.607 -7.363) 9.257 8.713 ( 0.732 -6.604 0.020) 6.645 8.947 ( 0.734 -3.605 -5.560) 6.667 9.047 ( -0.475 -2.936 11.229) 11.617 9.221 ( 4.671 -0.819 -1.818) 5.079 9.306 ( 0.866 5.828 -4.201) 7.237 9.536 ( 1.702 2.741 -2.735) 4.230 9.943 ( 20.113 -14.020 7.858) 25.746 10.190 ( -0.006 -5.256 0.098) 5.257 10.572 ( 0.227 -11.852 -0.519) 11.865 10.660 ( -0.175 -5.965 -1.744) 6.217 10.675 ( -1.373 -4.063 0.498) 4.318 10.773 ( 1.591 0.251 -0.159) 1.619 10.841 ( 1.620 2.253 0.285) 2.790 10.999 ( -5.232 -6.635 -0.679) 8.477 11.710 ( 4.703 -7.929 2.123) 9.460 12.745 ( -0.805 -0.793 2.112) 2.396 13.288 ( -0.406 15.773 0.943) 15.806 13.524 ( -0.577 -4.875 1.111) 5.033 13.616 ( -2.371 0.345 -1.906) 3.061 13.899 ( -14.809 18.357 0.740) 23.597 14.033 ( -3.891 11.892 -6.635) 14.163 14.163 ( -0.774 -7.595 0.200) 7.636 14.586 ( -1.614 4.900 -1.044) 5.264 15.323 ( 0.282 -3.448 0.668) 3.523 15.488 ( -0.291 -3.565 -0.448) 3.605 15.592 ( -0.716 3.817 0.780) 3.961 16.277 ( 0.172 -1.059 -0.844) 1.364 16.363 ( 0.443 2.218 -1.546) 2.740 16.881 ( 14.180 -12.217 5.885) 19.620 17.149 ( 0.546 -5.401 0.272) 5.436 17.220 ( 0.810 -3.529 -0.045) 3.621 24.476 ( -0.443 -0.086 -0.219) 0.501 24.628 ( -0.184 -1.070 -0.081) 1.089 24.679 ( 0.450 -0.108 0.014) 0.463 24.689 ( 0.666 0.013 -0.033) 0.667 25.327 ( -0.045 8.360 0.001) 8.360 25.625 ( -0.146 4.217 0.130) 4.222 25.882 ( -5.281 10.233 -1.718) 11.643 26.015 ( -23.405 27.108 -6.955) 36.483 26.863 ( -0.039 1.812 0.084) 1.815 27.173 ( -0.579 -0.086 2.340) 2.412 27.388 ( 0.188 4.982 -0.340) 4.997 27.525 ( -0.664 -1.028 1.597) 2.012 27.894 ( 0.189 -3.122 -2.450) 3.973 28.214 ( 0.677 -2.823 0.218) 2.911 28.874 ( 0.013 -7.680 1.661) 7.857 29.205 ( 23.335 -30.326 4.867) 38.573 ======================= Grid point 7 (6/52) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 13.098 15.884 3.099) 20.819 1.349 ( 14.883 22.164 6.260) 27.421 1.702 ( -2.658 -0.050 -4.036) 4.833 1.789 ( -5.809 7.299 7.381) 11.895 2.058 ( -3.239 7.650 0.908) 8.356 2.201 ( -7.127 3.720 -0.929) 8.093 2.231 ( 2.434 5.184 -3.583) 6.755 2.333 ( 2.802 4.013 0.510) 4.921 2.520 ( 11.028 7.493 9.807) 16.551 2.733 ( 8.762 -0.391 0.053) 8.771 2.780 ( -2.114 1.238 1.136) 2.701 2.833 ( 2.852 -0.290 -2.879) 4.063 2.952 ( -9.430 3.500 -13.713) 17.007 3.233 ( 3.726 -5.905 2.082) 7.286 3.259 ( 4.790 1.507 -0.667) 5.065 3.379 ( 2.409 -6.884 -3.308) 8.009 3.431 ( 2.102 -3.127 1.398) 4.019 3.441 ( 8.669 8.046 1.881) 11.977 3.681 ( -5.038 0.424 7.514) 9.057 3.769 ( 2.715 0.736 0.588) 2.874 3.791 ( 4.716 4.039 -5.188) 8.091 3.842 ( 3.349 1.122 3.649) 5.079 3.954 ( -2.431 2.997 0.090) 3.860 4.000 ( -1.004 2.829 -3.486) 4.600 4.092 ( -6.231 9.859 -3.098) 12.067 4.183 ( -0.460 4.395 2.063) 4.877 4.226 ( 0.775 -3.194 0.311) 3.302 4.282 ( -5.389 -0.026 -0.145) 5.391 4.373 ( 0.794 9.451 2.436) 9.792 4.453 ( 4.490 2.344 -0.406) 5.082 4.550 ( 1.027 5.134 0.287) 5.243 4.663 ( 9.749 1.198 2.945) 10.255 4.705 ( -0.394 0.753 3.286) 3.394 4.855 ( -2.056 1.536 -4.916) 5.546 4.935 ( -2.185 -0.873 -3.124) 3.911 4.969 ( -4.331 -0.068 2.607) 5.056 5.021 ( 2.222 2.663 -7.056) 7.862 5.044 ( -0.054 1.451 -3.318) 3.622 5.098 ( 1.031 -2.332 -4.213) 4.925 5.122 ( -9.103 -0.239 0.210) 9.109 5.274 ( -1.583 -4.426 1.173) 4.844 5.419 ( -8.651 -0.241 2.625) 9.044 5.439 ( -4.526 4.817 1.704) 6.826 5.489 ( -2.941 6.043 -1.477) 6.881 5.674 ( -4.887 0.525 -7.287) 8.789 5.694 ( -3.098 -0.254 -0.414) 3.136 5.797 ( 3.399 0.073 3.117) 4.613 5.963 ( 3.312 -3.001 -0.076) 4.470 6.081 ( -7.700 0.490 3.679) 8.548 6.127 ( 2.524 -5.169 3.292) 6.628 6.208 ( -3.106 -5.451 -1.620) 6.479 6.340 ( 4.923 5.022 -2.066) 7.330 6.443 ( 2.372 -0.867 1.023) 2.725 6.472 ( -3.811 3.653 5.321) 7.495 6.526 ( -3.631 -0.628 4.111) 5.521 6.621 ( 1.310 -0.292 -0.165) 1.353 6.687 ( 1.620 0.939 -0.563) 1.955 6.700 ( -1.092 -1.496 0.815) 2.023 6.785 ( 0.147 3.345 2.363) 4.098 6.848 ( -1.704 -0.856 -1.552) 2.459 7.046 ( 0.748 -1.094 -1.877) 2.297 7.094 ( -0.164 2.766 0.177) 2.776 7.261 ( 1.941 1.749 -0.480) 2.656 7.323 ( -0.350 3.755 0.506) 3.805 7.530 ( -1.766 -3.477 -1.732) 4.267 7.703 ( 1.020 3.043 2.723) 4.209 7.725 ( -0.578 -0.776 11.186) 11.228 7.774 ( 4.575 0.258 -13.763) 14.506 8.121 ( 1.344 2.284 0.680) 2.736 8.279 ( -0.943 -0.363 4.829) 4.934 8.307 ( -0.798 -0.534 -6.045) 6.121 8.520 ( -1.330 -4.997 8.465) 9.919 8.524 ( 1.521 1.167 -6.267) 6.553 8.730 ( 0.698 -4.414 0.077) 4.469 8.964 ( 3.605 -2.046 -3.879) 5.677 9.042 ( -3.990 -2.566 5.376) 7.170 9.290 ( 2.332 -2.408 -2.831) 4.388 9.298 ( 0.492 6.755 -2.574) 7.246 9.569 ( 1.850 -0.187 -0.266) 1.878 10.185 ( 0.155 -4.470 0.365) 4.488 10.293 ( 11.093 -1.576 4.723) 12.159 10.534 ( -4.213 -12.276 -3.230) 13.374 10.636 ( -0.735 -5.519 0.095) 5.569 10.657 ( -0.415 -3.237 -1.199) 3.477 10.790 ( 0.777 -2.551 -0.001) 2.667 10.828 ( -2.886 -2.309 -0.342) 3.712 10.958 ( 1.131 -1.702 0.932) 2.246 11.739 ( -0.839 -3.432 0.030) 3.533 12.735 ( -0.757 -0.907 1.195) 1.680 13.289 ( 0.125 15.344 0.567) 15.355 13.427 ( -4.773 10.937 -0.439) 11.941 13.575 ( -0.014 -7.135 -0.465) 7.150 13.820 ( 1.385 6.699 0.690) 6.876 14.008 ( 0.141 8.979 -0.882) 9.023 14.155 ( -0.495 -9.960 0.221) 9.975 14.551 ( -0.900 4.958 -0.682) 5.085 15.332 ( 0.231 -3.505 0.324) 3.528 15.477 ( -0.360 -3.590 -0.309) 3.621 15.588 ( -0.197 3.946 0.471) 3.979 16.296 ( 1.747 -0.957 -0.066) 1.993 16.345 ( -1.194 2.166 -1.351) 2.818 17.014 ( 1.054 -3.454 0.627) 3.665 17.160 ( 0.215 -4.517 0.220) 4.528 17.258 ( 1.618 -7.155 0.434) 7.349 24.468 ( -0.186 0.000 -0.080) 0.202 24.625 ( -0.082 -0.906 -0.034) 0.911 24.686 ( 0.205 -0.389 -0.064) 0.444 24.702 ( 0.384 0.161 0.028) 0.418 25.326 ( -0.028 8.260 -0.001) 8.260 25.622 ( -0.120 4.294 0.046) 4.296 25.675 ( -4.548 18.800 -1.316) 19.387 25.895 ( -0.836 7.235 -0.257) 7.288 26.863 ( -0.017 1.816 0.034) 1.816 27.174 ( -0.125 -0.072 0.599) 0.616 27.390 ( 0.096 5.012 -0.160) 5.016 27.522 ( -0.270 -1.047 0.976) 1.456 27.881 ( -0.086 -3.043 -1.598) 3.438 28.228 ( 0.426 -2.876 0.131) 2.910 28.884 ( 0.061 -7.467 1.047) 7.540 29.451 ( 3.851 -21.312 0.611) 21.666 ======================= Grid point 10 (7/52) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 0.000 23.032 0.000) 23.032 1.314 ( 0.000 25.158 0.000) 25.158 1.640 ( 0.000 15.840 0.000) 15.840 1.859 ( 0.000 5.040 0.000) 5.040 1.902 ( 0.000 6.464 0.000) 6.464 2.295 ( 0.000 -0.657 0.000) 0.657 2.453 ( 0.000 3.989 0.000) 3.989 2.601 ( 0.000 2.155 0.000) 2.155 2.677 ( 0.000 2.587 0.000) 2.587 2.722 ( 0.000 6.044 0.000) 6.044 2.812 ( 0.000 -2.943 0.000) 2.943 2.884 ( 0.000 12.163 0.000) 12.163 2.947 ( 0.000 0.203 0.000) 0.203 3.015 ( 0.000 -5.820 0.000) 5.820 3.134 ( 0.000 -0.369 0.000) 0.369 3.283 ( 0.000 -3.816 0.000) 3.816 3.415 ( 0.000 -3.915 0.000) 3.915 3.484 ( 0.000 10.976 0.000) 10.976 3.531 ( 0.000 -6.315 0.000) 6.315 3.611 ( 0.000 -7.501 0.000) 7.501 3.668 ( 0.000 4.418 0.000) 4.418 3.758 ( 0.000 -5.807 0.000) 5.807 3.932 ( 0.000 -2.007 0.000) 2.007 4.102 ( 0.000 5.271 0.000) 5.271 4.138 ( 0.000 7.533 0.000) 7.533 4.229 ( 0.000 4.435 0.000) 4.435 4.357 ( 0.000 2.526 0.000) 2.526 4.361 ( 0.000 0.845 0.000) 0.845 4.449 ( 0.000 1.036 0.000) 1.036 4.519 ( 0.000 6.881 0.000) 6.881 4.680 ( 0.000 -4.903 0.000) 4.903 4.744 ( 0.000 6.631 0.000) 6.631 4.766 ( 0.000 -0.088 0.000) 0.088 4.773 ( 0.000 -0.816 0.000) 0.816 4.825 ( 0.000 6.618 0.000) 6.618 5.049 ( 0.000 -0.795 0.000) 0.795 5.078 ( 0.000 5.868 0.000) 5.868 5.093 ( 0.000 -4.626 0.000) 4.626 5.222 ( 0.000 1.168 0.000) 1.168 5.297 ( 0.000 -2.158 0.000) 2.158 5.363 ( 0.000 1.423 0.000) 1.423 5.431 ( 0.000 -6.810 0.000) 6.810 5.520 ( 0.000 3.109 0.000) 3.109 5.594 ( 0.000 -3.532 0.000) 3.532 5.757 ( 0.000 15.183 0.000) 15.183 5.833 ( 0.000 -5.337 0.000) 5.337 5.998 ( 0.000 -9.574 0.000) 9.574 6.032 ( 0.000 0.863 0.000) 0.863 6.196 ( 0.000 4.241 0.000) 4.241 6.239 ( 0.000 0.133 0.000) 0.133 6.264 ( 0.000 1.496 0.000) 1.496 6.369 ( 0.000 3.282 0.000) 3.282 6.459 ( 0.000 -3.522 0.000) 3.522 6.519 ( 0.000 15.888 0.000) 15.888 6.579 ( 0.000 3.328 0.000) 3.328 6.664 ( 0.000 2.936 0.000) 2.936 6.720 ( 0.000 7.105 0.000) 7.105 6.725 ( 0.000 -0.234 0.000) 0.234 6.827 ( 0.000 1.314 0.000) 1.314 7.125 ( 0.000 0.784 0.000) 0.784 7.178 ( 0.000 3.699 0.000) 3.699 7.259 ( 0.000 -1.920 0.000) 1.920 7.328 ( 0.000 5.117 0.000) 5.117 7.338 ( 0.000 -11.276 0.000) 11.276 7.491 ( 0.000 -6.902 0.000) 6.902 7.537 ( 0.000 -2.561 0.000) 2.561 7.685 ( 0.000 5.636 0.000) 5.636 7.815 ( 0.000 12.853 0.000) 12.853 8.143 ( 0.000 -5.442 0.000) 5.442 8.346 ( 0.000 -8.404 0.000) 8.404 8.422 ( 0.000 8.766 0.000) 8.766 8.468 ( 0.000 3.529 0.000) 3.529 8.473 ( 0.000 12.337 0.000) 12.337 8.680 ( 0.000 6.574 0.000) 6.574 8.928 ( 0.000 0.359 0.000) 0.359 9.085 ( 0.000 3.145 0.000) 3.145 9.128 ( 0.000 -0.909 0.000) 0.909 9.285 ( 0.000 -0.210 0.000) 0.210 9.514 ( 0.000 -2.114 0.000) 2.114 9.532 ( 0.000 3.149 0.000) 3.149 10.091 ( 0.000 -5.943 0.000) 5.943 10.274 ( 0.000 -15.841 0.000) 15.841 10.406 ( 0.000 -13.654 0.000) 13.654 10.546 ( 0.000 -9.867 0.000) 9.867 10.587 ( 0.000 -18.454 0.000) 18.454 10.743 ( 0.000 -6.745 0.000) 6.745 11.044 ( 0.000 7.137 0.000) 7.137 11.534 ( 0.000 -4.408 0.000) 4.408 12.787 ( 0.000 4.453 0.000) 4.453 13.332 ( 0.000 -9.885 0.000) 9.885 13.645 ( 0.000 2.285 0.000) 2.285 13.680 ( 0.000 18.517 0.000) 18.517 13.946 ( 0.000 -8.027 0.000) 8.027 14.129 ( 0.000 4.828 0.000) 4.828 14.539 ( 0.000 1.968 0.000) 1.968 14.665 ( 0.000 0.643 0.000) 0.643 15.232 ( 0.000 -3.950 0.000) 3.950 15.387 ( 0.000 -6.128 0.000) 6.128 15.722 ( 0.000 6.316 0.000) 6.316 16.195 ( 0.000 -5.493 0.000) 5.493 16.468 ( 0.000 6.509 0.000) 6.509 16.594 ( 0.000 8.250 0.000) 8.250 16.994 ( 0.000 -8.064 0.000) 8.064 17.134 ( 0.000 -5.577 0.000) 5.577 24.487 ( 0.000 0.920 0.000) 0.920 24.604 ( 0.000 -1.344 0.000) 1.344 24.673 ( 0.000 -0.461 0.000) 0.461 24.679 ( 0.000 0.128 0.000) 0.128 25.540 ( 0.000 10.182 0.000) 10.182 25.724 ( 0.000 4.192 0.000) 4.192 26.113 ( 0.000 10.902 0.000) 10.902 26.737 ( 0.000 -5.602 0.000) 5.602 26.922 ( 0.000 3.478 0.000) 3.478 27.158 ( 0.000 -1.426 0.000) 1.426 27.503 ( 0.000 1.883 0.000) 1.883 27.549 ( 0.000 7.605 0.000) 7.605 27.807 ( 0.000 -5.633 0.000) 5.633 28.123 ( 0.000 -5.031 0.000) 5.031 28.436 ( 0.000 -2.009 0.000) 2.009 28.667 ( 0.000 -10.472 0.000) 10.472 ======================= Grid point 11 (8/52) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 11.666 14.329 7.534) 19.954 1.406 ( 7.854 21.911 1.025) 23.299 1.818 ( 2.588 8.022 4.309) 9.467 1.919 ( 3.506 6.901 4.908) 9.165 2.011 ( 19.695 9.684 -1.543) 22.001 2.285 ( -0.803 0.380 0.700) 1.131 2.441 ( -2.678 6.911 -2.212) 7.735 2.589 ( 1.641 9.278 1.027) 9.478 2.627 ( -2.571 6.908 -4.076) 8.423 2.667 ( -8.997 1.870 2.280) 9.468 2.805 ( 1.804 -0.453 1.168) 2.196 2.869 ( -4.232 -2.457 -1.757) 5.199 2.975 ( 4.590 -3.148 -1.261) 5.707 3.079 ( 7.371 2.366 -1.223) 7.837 3.139 ( 5.284 -1.517 -0.429) 5.514 3.323 ( -1.294 0.787 1.572) 2.183 3.451 ( -1.244 1.216 -11.175) 11.310 3.489 ( 8.197 -0.782 -2.492) 8.603 3.579 ( 0.220 1.920 4.605) 4.994 3.631 ( -0.312 -7.311 0.363) 7.326 3.676 ( 5.499 1.814 7.138) 9.192 3.830 ( -1.773 2.829 4.236) 5.394 3.905 ( 5.759 -3.861 -1.915) 7.194 4.067 ( 1.995 4.861 -2.809) 5.958 4.174 ( 1.652 3.719 0.161) 4.072 4.246 ( -2.442 2.306 0.864) 3.468 4.314 ( -1.969 1.310 4.237) 4.852 4.411 ( 0.355 2.607 2.649) 3.734 4.432 ( -1.774 0.669 -0.883) 2.092 4.552 ( 5.319 7.822 -4.648) 10.539 4.617 ( -0.330 8.292 -8.885) 12.158 4.707 ( 2.496 1.319 -4.961) 5.708 4.743 ( -0.754 -2.713 -0.419) 2.847 4.809 ( -0.778 2.331 8.661) 9.003 4.881 ( 0.527 -4.780 -0.877) 4.888 4.970 ( -3.021 -0.193 0.742) 3.117 5.060 ( -3.606 -1.725 3.233) 5.141 5.136 ( 1.419 2.572 -7.165) 7.744 5.155 ( 2.338 5.313 -7.613) 9.573 5.339 ( -4.923 -2.654 -4.017) 6.886 5.420 ( 3.216 -5.509 2.977) 7.040 5.513 ( 0.747 -1.638 8.097) 8.294 5.554 ( 2.489 1.407 -1.292) 3.137 5.613 ( -5.599 9.046 -3.995) 11.364 5.644 ( 3.981 -2.368 4.314) 6.330 5.789 ( -9.240 2.197 2.936) 9.941 5.922 ( -7.570 -2.108 0.448) 7.871 6.040 ( -0.899 -1.231 -4.993) 5.220 6.079 ( -9.663 1.827 1.922) 10.020 6.171 ( -11.582 1.833 -4.395) 12.522 6.237 ( -1.699 0.694 0.856) 2.025 6.328 ( -1.943 4.271 -0.398) 4.709 6.408 ( 3.118 1.619 0.855) 3.616 6.446 ( -0.702 -0.994 7.643) 7.739 6.599 ( 0.429 1.145 0.891) 1.513 6.681 ( -2.854 3.963 1.679) 5.164 6.716 ( -1.051 5.541 3.636) 6.710 6.737 ( 0.558 6.128 1.369) 6.304 6.831 ( -0.401 1.560 -1.313) 2.078 6.955 ( -6.559 2.680 -3.193) 7.772 7.111 ( -2.695 3.991 -0.112) 4.818 7.177 ( -7.786 1.363 -1.962) 8.145 7.314 ( 1.733 -0.260 -3.682) 4.078 7.421 ( 1.458 -8.137 4.133) 9.242 7.467 ( -1.184 -1.926 3.357) 4.047 7.575 ( 1.166 -6.300 -1.326) 6.543 7.732 ( 5.122 4.205 0.728) 6.667 7.790 ( 0.086 10.449 -5.047) 11.604 8.138 ( -1.337 -2.098 3.995) 4.706 8.276 ( -4.742 -3.995 0.128) 6.202 8.422 ( -0.013 7.510 -1.499) 7.658 8.469 ( 0.366 1.383 -0.662) 1.576 8.552 ( 4.365 7.836 -0.618) 8.991 8.699 ( 1.216 6.114 1.695) 6.460 8.920 ( 1.469 1.123 -4.813) 5.156 9.038 ( 0.643 1.751 2.728) 3.305 9.256 ( 3.435 4.316 -1.075) 5.620 9.374 ( 3.793 0.637 -1.469) 4.117 9.514 ( 0.745 -2.175 -2.442) 3.353 9.726 ( 15.999 -7.610 5.821) 18.649 10.091 ( 0.072 -5.398 0.735) 5.448 10.276 ( -0.158 -15.383 0.627) 15.397 10.431 ( 2.499 -12.114 -0.114) 12.370 10.528 ( -0.676 -10.258 -1.269) 10.358 10.628 ( 2.478 -18.503 2.005) 18.776 10.738 ( -0.458 -7.353 -0.519) 7.386 11.008 ( -2.602 8.987 -1.342) 9.452 11.580 ( 3.187 -5.897 0.883) 6.761 12.781 ( -0.775 4.227 0.669) 4.350 13.331 ( -0.256 -10.211 0.230) 10.217 13.655 ( 1.342 5.227 -1.831) 5.699 13.679 ( -1.166 15.363 2.889) 15.676 13.946 ( -0.175 -7.042 0.213) 7.047 14.115 ( -2.092 5.535 1.238) 6.046 14.348 ( -11.213 10.093 -4.586) 15.768 14.644 ( -1.768 0.310 -1.285) 2.208 15.236 ( 0.323 -4.005 0.185) 4.022 15.383 ( -0.166 -6.040 -0.532) 6.065 15.717 ( -0.127 7.677 0.613) 7.702 16.214 ( 1.204 -4.646 -0.046) 4.799 16.462 ( -0.065 6.548 -1.446) 6.706 16.759 ( 10.585 0.073 3.478) 11.142 16.999 ( 0.501 -8.101 0.258) 8.121 17.127 ( -0.590 -5.496 -0.149) 5.530 24.484 ( -0.201 1.066 -0.169) 1.098 24.605 ( 0.091 -1.189 -0.074) 1.195 24.672 ( 0.084 -0.378 -0.065) 0.393 24.689 ( 0.716 -0.080 0.060) 0.723 25.538 ( -0.235 10.148 0.362) 10.158 25.723 ( -0.164 4.184 0.178) 4.191 26.087 ( -2.044 10.218 -0.620) 10.439 26.399 ( -20.057 8.367 -6.310) 22.630 26.921 ( -0.094 3.535 0.238) 3.545 27.160 ( -0.314 -1.485 1.411) 2.073 27.503 ( -0.160 1.711 0.698) 1.854 27.551 ( 0.092 7.934 -0.244) 7.938 27.801 ( -0.035 -5.385 -1.369) 5.557 28.131 ( 0.652 -4.966 0.263) 5.015 28.667 ( 2.421 -10.459 1.139) 10.796 28.735 ( 15.189 -14.473 3.830) 21.326 ======================= Grid point 12 (9/52) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 6.355 7.981 1.121) 10.263 1.618 ( 9.536 11.437 3.180) 15.226 1.784 ( -4.664 5.070 1.063) 6.970 2.031 ( 2.843 5.490 1.948) 6.482 2.279 ( -2.457 5.539 2.846) 6.695 2.290 ( -2.876 17.392 -1.283) 17.675 2.329 ( 5.181 4.842 -0.550) 7.113 2.494 ( -7.310 11.093 -5.518) 14.386 2.651 ( 5.494 0.725 1.803) 5.827 2.711 ( 2.729 0.346 1.997) 3.399 2.805 ( 2.566 2.782 4.179) 5.638 2.866 ( 1.970 2.262 1.392) 3.307 3.047 ( -1.729 0.740 -1.619) 2.482 3.125 ( 4.964 -3.919 -2.594) 6.836 3.169 ( -6.864 -2.300 -5.396) 9.029 3.376 ( 4.129 4.039 1.417) 5.947 3.432 ( 1.903 1.204 0.016) 2.252 3.495 ( 2.907 -10.286 -4.856) 11.740 3.644 ( 0.637 4.545 2.509) 5.230 3.759 ( 5.704 -3.248 0.900) 6.626 3.838 ( 9.184 4.958 5.258) 11.686 3.900 ( 6.387 1.870 0.485) 6.673 4.063 ( 2.578 -3.139 1.528) 4.340 4.114 ( 3.748 8.530 1.441) 9.428 4.133 ( -0.031 4.782 0.788) 4.847 4.225 ( -0.015 2.767 -1.430) 3.115 4.296 ( -2.689 3.471 0.627) 4.435 4.349 ( -5.505 7.612 -2.564) 9.738 4.462 ( 5.262 0.100 -0.667) 5.305 4.581 ( -8.705 3.472 -2.401) 9.674 4.679 ( 4.198 0.653 -0.845) 4.332 4.737 ( 5.907 1.914 -2.361) 6.643 4.757 ( 3.549 7.601 3.978) 9.284 4.794 ( -0.266 -4.338 -1.873) 4.733 4.881 ( 1.716 -3.224 6.385) 7.356 4.947 ( -0.076 -3.675 -5.152) 6.329 4.975 ( -3.837 -0.294 -0.226) 3.855 5.081 ( -2.606 0.588 -6.145) 6.700 5.164 ( -10.064 4.275 -0.322) 10.939 5.187 ( 1.643 0.013 1.369) 2.139 5.261 ( -12.273 7.839 -4.417) 15.218 5.399 ( -10.174 -0.965 -0.702) 10.243 5.535 ( 0.281 3.584 2.333) 4.286 5.601 ( 3.489 -0.262 -4.746) 5.897 5.637 ( -1.885 -0.527 1.733) 2.614 5.712 ( -8.886 1.562 -4.307) 9.997 5.810 ( -0.290 -7.241 5.994) 9.404 5.830 ( -3.103 -0.965 3.975) 5.134 5.919 ( -4.943 -2.732 -5.341) 7.773 6.131 ( 2.262 1.595 0.375) 2.793 6.192 ( -2.846 1.320 0.914) 3.268 6.395 ( 5.418 -0.857 -1.569) 5.705 6.461 ( 1.758 2.139 0.569) 2.826 6.563 ( 2.722 -1.260 6.000) 6.708 6.611 ( 1.491 5.953 4.134) 7.399 6.651 ( -1.160 7.464 4.354) 8.719 6.712 ( 0.937 3.425 -2.082) 4.117 6.739 ( -0.479 5.256 0.609) 5.312 6.806 ( -2.874 -0.376 1.562) 3.293 6.883 ( -0.711 3.621 -3.152) 4.853 7.027 ( -2.906 2.898 -0.072) 4.105 7.142 ( 1.688 0.422 0.298) 1.765 7.300 ( -0.250 -0.980 -2.513) 2.709 7.402 ( -5.431 -7.317 0.558) 9.130 7.427 ( -0.674 0.612 -0.023) 0.911 7.585 ( 0.185 -7.935 -0.068) 7.937 7.797 ( 1.553 4.963 -0.277) 5.207 7.830 ( 3.036 4.713 -0.662) 5.645 8.128 ( -1.716 -4.369 1.889) 5.060 8.212 ( -0.607 0.418 0.219) 0.769 8.400 ( -0.819 6.754 -1.513) 6.970 8.473 ( 0.294 -0.167 -0.565) 0.658 8.616 ( 1.916 6.556 0.116) 6.831 8.730 ( 0.439 6.136 1.040) 6.239 8.950 ( 2.988 0.265 -1.575) 3.388 9.046 ( -1.552 3.766 0.879) 4.167 9.308 ( 2.090 4.369 -1.929) 5.213 9.400 ( 0.459 3.333 -0.721) 3.441 9.519 ( 0.533 -2.426 -0.875) 2.634 9.984 ( 3.966 -17.397 0.808) 17.862 10.139 ( 3.888 -4.665 2.382) 6.524 10.270 ( -0.664 -14.426 0.179) 14.443 10.485 ( 1.011 -9.572 0.262) 9.629 10.549 ( 5.034 -10.335 -0.640) 11.514 10.656 ( -2.258 -15.827 0.223) 15.988 10.712 ( -1.354 -5.158 -0.045) 5.333 10.956 ( -1.046 8.324 -0.619) 8.412 11.634 ( 1.252 -6.558 0.296) 6.683 12.768 ( -0.555 4.095 0.396) 4.151 13.325 ( -0.315 -10.326 0.159) 10.332 13.661 ( -0.307 5.695 -1.143) 5.816 13.665 ( -0.842 16.526 1.292) 16.598 13.952 ( 1.267 -4.618 0.390) 4.804 14.045 ( -3.910 8.399 0.152) 9.266 14.203 ( -1.753 9.191 -1.217) 9.436 14.602 ( -1.067 -0.222 -0.815) 1.361 15.244 ( 0.241 -4.093 0.129) 4.102 15.376 ( -0.183 -5.759 -0.383) 5.775 15.723 ( 0.209 8.656 0.448) 8.670 16.235 ( 0.668 -4.090 -0.006) 4.144 16.452 ( -0.144 6.866 -0.918) 6.929 16.927 ( 3.377 -3.882 0.718) 5.195 17.026 ( 1.693 -7.419 1.272) 7.715 17.108 ( -0.936 -6.486 -0.563) 6.578 24.479 ( -0.101 1.254 -0.090) 1.261 24.606 ( 0.051 -0.960 -0.044) 0.963 24.674 ( 0.105 -0.448 -0.047) 0.463 24.702 ( 0.397 -0.168 0.039) 0.433 25.536 ( -0.133 10.106 0.216) 10.110 25.720 ( -0.113 4.170 0.109) 4.173 26.038 ( -2.221 11.993 -0.704) 12.217 26.092 ( -6.093 10.801 -1.761) 12.525 26.920 ( -0.030 3.541 0.102) 3.542 27.161 ( -0.097 -1.500 0.501) 1.585 27.505 ( -0.055 1.354 0.431) 1.422 27.551 ( 0.035 8.430 -0.181) 8.432 27.791 ( -0.102 -5.155 -0.923) 5.238 28.145 ( 0.400 -4.948 0.157) 4.967 28.689 ( 0.404 -9.350 0.657) 9.382 28.984 ( 5.659 -19.771 1.290) 20.606 ======================= Grid point 15 (10/52) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 0.000 15.695 0.000) 15.695 1.717 ( 0.000 11.399 0.000) 11.399 1.761 ( 0.000 -1.054 0.000) 1.054 1.879 ( 0.000 -4.756 0.000) 4.756 2.108 ( 0.000 12.570 0.000) 12.570 2.391 ( 0.000 10.325 0.000) 10.325 2.408 ( 0.000 -14.027 0.000) 14.027 2.565 ( 0.000 5.931 0.000) 5.931 2.660 ( 0.000 -10.460 0.000) 10.460 2.694 ( 0.000 -1.683 0.000) 1.683 2.842 ( 0.000 -2.785 0.000) 2.785 2.845 ( 0.000 -5.740 0.000) 5.740 3.047 ( 0.000 9.247 0.000) 9.247 3.101 ( 0.000 5.228 0.000) 5.228 3.225 ( 0.000 5.615 0.000) 5.615 3.257 ( 0.000 5.299 0.000) 5.299 3.328 ( 0.000 -7.854 0.000) 7.854 3.408 ( 0.000 2.692 0.000) 2.692 3.490 ( 0.000 -8.352 0.000) 8.352 3.567 ( 0.000 -8.257 0.000) 8.257 3.725 ( 0.000 5.842 0.000) 5.842 3.751 ( 0.000 2.840 0.000) 2.840 4.015 ( 0.000 9.623 0.000) 9.623 4.196 ( 0.000 -3.915 0.000) 3.915 4.244 ( 0.000 8.360 0.000) 8.360 4.359 ( 0.000 5.267 0.000) 5.267 4.393 ( 0.000 -1.100 0.000) 1.100 4.426 ( 0.000 4.256 0.000) 4.256 4.434 ( 0.000 -1.226 0.000) 1.226 4.548 ( 0.000 -8.582 0.000) 8.582 4.623 ( 0.000 0.496 0.000) 0.496 4.690 ( 0.000 7.787 0.000) 7.787 4.752 ( 0.000 -2.830 0.000) 2.830 4.847 ( 0.000 -5.283 0.000) 5.283 4.880 ( 0.000 1.437 0.000) 1.437 4.967 ( 0.000 -5.296 0.000) 5.296 5.082 ( 0.000 2.315 0.000) 2.315 5.133 ( 0.000 -6.895 0.000) 6.895 5.194 ( 0.000 2.760 0.000) 2.760 5.221 ( 0.000 -0.804 0.000) 0.804 5.397 ( 0.000 1.707 0.000) 1.707 5.397 ( 0.000 2.136 0.000) 2.136 5.522 ( 0.000 -2.096 0.000) 2.096 5.540 ( 0.000 -3.571 0.000) 3.571 5.722 ( 0.000 1.955 0.000) 1.955 5.839 ( 0.000 -5.708 0.000) 5.708 6.082 ( 0.000 8.968 0.000) 8.968 6.112 ( 0.000 3.505 0.000) 3.505 6.246 ( 0.000 1.371 0.000) 1.371 6.250 ( 0.000 0.563 0.000) 0.563 6.287 ( 0.000 1.973 0.000) 1.973 6.381 ( 0.000 -4.421 0.000) 4.421 6.516 ( 0.000 8.803 0.000) 8.803 6.633 ( 0.000 0.797 0.000) 0.797 6.719 ( 0.000 1.980 0.000) 1.980 6.774 ( 0.000 2.333 0.000) 2.333 6.791 ( 0.000 4.359 0.000) 4.359 6.824 ( 0.000 5.293 0.000) 5.293 6.977 ( 0.000 3.518 0.000) 3.518 7.075 ( 0.000 -2.760 0.000) 2.760 7.078 ( 0.000 -1.141 0.000) 1.141 7.215 ( 0.000 -14.170 0.000) 14.170 7.248 ( 0.000 4.577 0.000) 4.577 7.300 ( 0.000 4.221 0.000) 4.221 7.362 ( 0.000 -1.790 0.000) 1.790 7.463 ( 0.000 -7.991 0.000) 7.991 7.809 ( 0.000 6.458 0.000) 6.458 7.978 ( 0.000 -9.306 0.000) 9.306 8.060 ( 0.000 9.187 0.000) 9.187 8.207 ( 0.000 -5.152 0.000) 5.152 8.563 ( 0.000 4.026 0.000) 4.026 8.566 ( 0.000 3.677 0.000) 3.677 8.795 ( 0.000 13.762 0.000) 13.762 8.858 ( 0.000 6.131 0.000) 6.131 8.971 ( 0.000 2.134 0.000) 2.134 9.037 ( 0.000 -6.338 0.000) 6.338 9.215 ( 0.000 9.596 0.000) 9.596 9.314 ( 0.000 1.137 0.000) 1.137 9.594 ( 0.000 9.246 0.000) 9.246 9.625 ( 0.000 5.668 0.000) 5.668 9.869 ( 0.000 -10.681 0.000) 10.681 9.918 ( 0.000 -15.637 0.000) 15.637 10.113 ( 0.000 -13.352 0.000) 13.352 10.148 ( 0.000 -17.534 0.000) 17.534 10.448 ( 0.000 2.900 0.000) 2.900 10.582 ( 0.000 -7.893 0.000) 7.893 11.229 ( 0.000 8.998 0.000) 8.998 11.407 ( 0.000 -7.374 0.000) 7.374 12.924 ( 0.000 8.064 0.000) 8.064 13.118 ( 0.000 -9.849 0.000) 9.849 13.702 ( 0.000 3.043 0.000) 3.043 13.784 ( 0.000 -4.785 0.000) 4.785 14.044 ( 0.000 11.608 0.000) 11.608 14.177 ( 0.000 -1.126 0.000) 1.126 14.589 ( 0.000 2.631 0.000) 2.631 14.644 ( 0.000 -2.213 0.000) 2.213 15.183 ( 0.000 0.168 0.000) 0.168 15.251 ( 0.000 -5.717 0.000) 5.717 15.881 ( 0.000 8.173 0.000) 8.173 16.053 ( 0.000 -7.609 0.000) 7.609 16.628 ( 0.000 8.291 0.000) 8.291 16.788 ( 0.000 9.347 0.000) 9.347 16.813 ( 0.000 -8.569 0.000) 8.569 16.983 ( 0.000 -8.346 0.000) 8.346 24.521 ( 0.000 2.126 0.000) 2.126 24.568 ( 0.000 -2.058 0.000) 2.058 24.669 ( 0.000 0.185 0.000) 0.185 24.676 ( 0.000 -0.336 0.000) 0.336 25.717 ( 0.000 5.757 0.000) 5.757 25.776 ( 0.000 0.160 0.000) 0.160 26.355 ( 0.000 11.308 0.000) 11.308 26.578 ( 0.000 -9.205 0.000) 9.205 27.009 ( 0.000 4.456 0.000) 4.456 27.101 ( 0.000 -3.811 0.000) 3.811 27.561 ( 0.000 4.340 0.000) 4.340 27.677 ( 0.000 -6.143 0.000) 6.143 27.761 ( 0.000 10.852 0.000) 10.852 27.978 ( 0.000 -8.748 0.000) 8.748 28.413 ( 0.000 0.431 0.000) 0.431 28.479 ( 0.000 -6.165 0.000) 6.165 ======================= Grid point 16 (11/52) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 1.845 9.362 3.522) 10.172 1.706 ( 1.178 2.736 -0.895) 3.110 1.907 ( 3.463 3.866 3.922) 6.506 1.981 ( 5.206 -1.269 3.900) 6.627 2.216 ( 13.014 11.428 -3.283) 17.628 2.372 ( -0.342 5.626 -0.428) 5.652 2.526 ( 5.444 -8.691 -1.428) 10.354 2.590 ( -1.684 -6.909 -0.010) 7.111 2.621 ( 5.016 5.657 1.678) 7.744 2.738 ( 3.332 -1.829 2.173) 4.379 2.849 ( 0.239 2.810 4.748) 5.522 2.869 ( 0.802 2.938 3.179) 4.403 2.996 ( 2.966 4.538 -0.980) 5.509 3.091 ( -3.250 1.533 -1.989) 4.108 3.153 ( -0.456 1.508 -4.040) 4.336 3.297 ( -3.033 -7.946 -1.933) 8.722 3.427 ( 4.181 1.462 1.556) 4.695 3.454 ( 5.688 4.507 2.049) 7.541 3.544 ( 7.510 -5.663 -2.030) 9.623 3.586 ( -3.435 -3.403 0.607) 4.873 3.782 ( 7.206 4.284 -0.941) 8.436 3.810 ( 5.992 1.060 -2.956) 6.765 3.995 ( 0.743 7.840 1.231) 7.971 4.128 ( -1.980 -1.937 -1.854) 3.333 4.263 ( -4.374 4.105 2.921) 6.672 4.313 ( 2.228 7.699 1.012) 8.079 4.375 ( -1.008 -1.558 0.513) 1.926 4.437 ( 2.152 0.177 -2.358) 3.197 4.469 ( -0.785 2.680 6.442) 7.021 4.561 ( 1.692 -7.286 -3.745) 8.365 4.610 ( -0.068 0.102 -2.566) 2.569 4.729 ( 0.558 -3.579 -3.750) 5.214 4.756 ( 4.213 1.798 0.513) 4.609 4.799 ( -3.022 2.361 -6.281) 7.359 4.859 ( -0.039 -0.058 -2.236) 2.237 4.966 ( -2.542 -5.601 -7.598) 9.776 5.063 ( -1.484 8.059 9.938) 12.881 5.161 ( -1.441 1.216 -5.276) 5.603 5.221 ( 1.589 -5.024 -0.822) 5.333 5.249 ( 6.598 1.829 -3.194) 7.555 5.334 ( -0.109 -1.563 -0.331) 1.602 5.392 ( -5.998 -13.219 8.782) 16.966 5.534 ( -0.662 0.866 4.073) 4.217 5.545 ( -2.585 -0.463 0.930) 2.786 5.792 ( 5.775 7.195 1.338) 9.322 5.913 ( 1.280 -3.014 0.939) 3.406 5.977 ( -9.991 9.080 -2.993) 13.828 6.039 ( -5.190 2.023 -1.523) 5.775 6.127 ( -11.300 2.427 -1.255) 11.625 6.196 ( -14.160 -0.497 -2.048) 14.316 6.251 ( -0.523 0.518 -0.925) 1.182 6.303 ( 1.284 -4.793 0.852) 5.034 6.500 ( -2.223 3.451 4.398) 6.016 6.507 ( -6.100 4.166 0.378) 7.397 6.649 ( 0.066 2.454 2.415) 3.444 6.682 ( -1.865 -0.945 1.876) 2.809 6.837 ( 0.411 6.815 4.713) 8.296 6.922 ( -0.677 10.113 -0.240) 10.139 6.959 ( -7.159 6.340 -5.002) 10.792 7.012 ( -4.388 0.535 -2.223) 4.947 7.079 ( -0.082 -9.199 5.843) 10.898 7.207 ( 2.814 -6.395 -3.429) 7.783 7.230 ( 1.244 -6.090 4.432) 7.634 7.263 ( 0.625 -1.690 -4.027) 4.412 7.301 ( -2.563 4.345 -1.667) 5.313 7.501 ( -0.474 -7.217 1.527) 7.392 7.848 ( 2.819 5.961 0.118) 6.594 7.948 ( 0.401 -0.326 -7.316) 7.334 8.085 ( -1.371 2.435 7.732) 8.222 8.194 ( -1.745 -4.445 1.324) 4.955 8.531 ( -0.299 3.832 -4.051) 5.584 8.556 ( -0.871 2.325 -2.555) 3.563 8.784 ( 0.537 11.458 -1.040) 11.518 8.913 ( 1.870 5.778 1.421) 6.237 8.976 ( 0.647 6.123 -0.516) 6.179 9.085 ( 3.958 0.734 0.440) 4.050 9.334 ( 3.218 0.986 -0.189) 3.371 9.368 ( 7.886 0.494 1.244) 7.999 9.579 ( -0.342 8.155 -1.154) 8.244 9.641 ( 1.688 1.293 1.057) 2.375 9.885 ( 1.019 -10.649 -0.339) 10.702 9.945 ( 1.488 -14.010 2.024) 14.234 10.159 ( 4.730 -11.935 0.693) 12.857 10.199 ( 4.159 -16.191 1.097) 16.753 10.434 ( -0.988 3.352 -0.750) 3.574 10.574 ( -0.525 -8.059 -0.810) 8.117 11.223 ( -0.506 10.288 -0.212) 10.303 11.427 ( 1.483 -8.522 0.395) 8.660 12.916 ( -0.692 8.094 -0.038) 8.123 13.112 ( -0.479 -10.014 -0.141) 10.027 13.714 ( 0.963 2.734 0.174) 2.904 13.786 ( 0.094 -4.097 0.286) 4.108 14.045 ( -0.290 11.260 1.191) 11.327 14.173 ( -0.695 -0.846 0.777) 1.343 14.508 ( -5.744 5.702 -2.086) 8.358 14.607 ( -2.868 -3.442 -1.360) 4.682 15.185 ( 0.308 0.063 -0.237) 0.394 15.251 ( 0.116 -5.543 -0.526) 5.569 15.900 ( 1.436 8.975 0.587) 9.108 16.081 ( 2.005 -7.627 0.388) 7.895 16.626 ( -0.018 8.499 -0.592) 8.520 16.811 ( 0.324 -6.899 -0.368) 6.916 16.842 ( 3.621 4.179 1.659) 5.773 16.988 ( 0.246 -7.214 0.203) 7.221 24.521 ( 0.008 2.246 -0.119) 2.249 24.570 ( 0.168 -2.118 -0.080) 2.126 24.672 ( 0.240 0.381 -0.027) 0.451 24.683 ( 0.515 -0.504 0.039) 0.722 25.715 ( -0.284 5.762 0.456) 5.787 25.774 ( -0.228 0.142 0.324) 0.421 26.298 ( -4.290 8.943 -1.266) 9.999 26.439 ( -9.896 -3.381 -3.089) 10.905 27.009 ( -0.112 4.501 0.398) 4.520 27.101 ( -0.154 -3.850 0.705) 3.917 27.560 ( -0.015 4.298 -0.048) 4.298 27.675 ( 0.436 -5.903 -2.219) 6.322 27.767 ( -0.007 10.910 1.363) 10.995 27.987 ( 0.591 -8.829 0.372) 8.856 28.504 ( 3.822 -3.546 0.977) 5.304 28.527 ( 6.207 -5.519 1.770) 8.493 ======================= Grid point 17 (12/52) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 1.958 4.273 1.299) 4.876 1.742 ( 1.773 -1.960 -0.580) 2.706 1.938 ( 0.104 7.463 1.491) 7.611 2.039 ( -0.917 -2.530 0.515) 2.740 2.344 ( 0.920 5.068 0.164) 5.154 2.436 ( 3.945 0.782 -0.011) 4.021 2.581 ( 5.622 2.462 1.476) 6.312 2.649 ( 2.488 2.659 0.757) 3.719 2.684 ( -0.880 3.792 0.996) 4.019 2.733 ( -2.343 0.151 1.724) 2.913 2.864 ( -1.987 3.560 -2.046) 4.561 2.939 ( -1.439 2.740 -1.367) 3.383 3.067 ( 3.148 4.463 0.989) 5.550 3.123 ( 6.879 5.557 3.558) 9.532 3.209 ( 0.760 -4.246 -5.070) 6.657 3.254 ( -1.877 -3.440 3.368) 5.167 3.404 ( 1.904 -0.546 -0.095) 1.983 3.457 ( -2.802 -0.996 -3.448) 4.553 3.670 ( 8.449 -0.437 0.424) 8.471 3.738 ( 7.362 -1.705 -0.553) 7.577 3.837 ( 4.296 -0.439 3.659) 5.660 3.898 ( 3.662 -2.894 1.435) 4.883 4.079 ( -0.439 6.166 -3.476) 7.092 4.183 ( 1.440 -1.714 -2.236) 3.164 4.314 ( 7.118 6.118 1.806) 9.558 4.364 ( 3.208 7.119 6.240) 9.995 4.377 ( -3.436 5.084 4.645) 7.696 4.438 ( 0.857 -0.417 -6.228) 6.301 4.468 ( 5.603 -0.606 -0.356) 5.647 4.573 ( 0.395 -8.015 -3.476) 8.745 4.588 ( -4.715 0.206 0.131) 4.721 4.660 ( -3.907 -1.984 -2.674) 5.134 4.765 ( 1.716 0.954 0.166) 1.970 4.812 ( -4.113 -2.283 0.606) 4.743 4.860 ( 5.022 0.093 -2.079) 5.437 4.887 ( 2.253 -2.343 -5.857) 6.698 5.060 ( -1.359 5.303 5.860) 8.019 5.113 ( -1.895 3.546 -1.099) 4.168 5.217 ( -0.270 -3.962 -1.621) 4.289 5.235 ( -3.749 0.180 -0.019) 3.754 5.283 ( -10.431 4.596 3.172) 11.832 5.401 ( -10.025 -3.108 -2.521) 10.795 5.473 ( 7.993 -6.049 -5.861) 11.612 5.513 ( 1.848 -5.813 1.067) 6.192 5.666 ( -10.488 4.564 1.339) 11.516 5.713 ( -10.394 0.893 0.857) 10.467 5.779 ( -6.009 4.522 -1.471) 7.663 5.877 ( -8.710 -2.158 -1.004) 9.029 6.010 ( 1.438 8.729 -0.397) 8.856 6.137 ( 1.894 -2.269 2.127) 3.641 6.251 ( 0.989 4.287 -0.670) 4.450 6.350 ( 2.752 -3.960 -0.942) 4.913 6.513 ( 1.707 1.931 1.124) 2.812 6.522 ( 2.555 -0.247 2.783) 3.786 6.673 ( -0.375 -0.509 2.441) 2.521 6.683 ( 0.800 -1.270 4.723) 4.956 6.844 ( -1.349 3.326 1.619) 3.938 6.855 ( -1.437 4.279 0.545) 4.546 6.918 ( 0.887 11.336 -2.708) 11.689 6.970 ( 1.097 5.623 2.880) 6.412 7.093 ( -0.281 -3.381 1.732) 3.809 7.148 ( -6.381 1.598 -3.952) 7.674 7.205 ( -2.238 -5.696 -4.020) 7.322 7.227 ( -0.612 -14.090 0.647) 14.118 7.334 ( 1.592 5.504 1.590) 5.946 7.492 ( -0.333 -5.542 -0.046) 5.552 7.900 ( 1.614 5.085 0.100) 5.336 7.965 ( 5.146 3.342 -5.970) 8.561 8.052 ( -5.371 0.521 5.810) 7.929 8.168 ( -1.058 -5.352 1.169) 5.580 8.514 ( 0.537 3.356 -2.649) 4.309 8.525 ( -0.648 2.588 -1.424) 3.024 8.795 ( 0.617 9.637 -0.658) 9.679 8.940 ( 0.593 -1.080 0.084) 1.235 8.983 ( 0.205 13.038 0.110) 13.040 9.143 ( 1.106 1.679 0.246) 2.025 9.391 ( 1.860 1.995 -0.172) 2.733 9.462 ( 1.307 -0.796 0.106) 1.534 9.587 ( 0.968 9.715 0.241) 9.766 9.683 ( 0.844 -3.794 -0.200) 3.892 9.914 ( 1.784 -14.020 0.966) 14.166 9.961 ( -0.501 -14.612 -0.641) 14.635 10.281 ( 3.840 -10.701 0.894) 11.404 10.298 ( 3.756 -12.311 1.550) 12.964 10.412 ( -0.444 3.853 -0.649) 3.932 10.558 ( -0.401 -8.175 -0.429) 8.196 11.208 ( -0.606 12.582 -0.247) 12.599 11.454 ( 0.727 -10.172 0.163) 10.199 12.902 ( -0.412 8.171 -0.008) 8.181 13.102 ( -0.301 -10.213 -0.079) 10.217 13.733 ( 0.561 2.508 0.103) 2.572 13.791 ( 0.163 -2.877 0.250) 2.892 14.046 ( -0.061 10.289 0.676) 10.312 14.156 ( -1.069 0.414 0.405) 1.216 14.398 ( -2.822 8.404 -1.148) 8.939 14.544 ( -1.739 -5.019 -0.849) 5.379 15.191 ( 0.213 -0.127 -0.115) 0.273 15.250 ( 0.070 -5.216 -0.328) 5.227 15.931 ( 0.899 9.902 0.357) 9.949 16.117 ( 0.985 -7.149 0.176) 7.219 16.623 ( -0.011 8.852 -0.353) 8.859 16.813 ( 0.104 -8.274 -0.172) 8.277 16.926 ( 2.892 0.059 1.208) 3.135 16.985 ( -0.656 -4.720 -0.218) 4.770 24.520 ( 0.009 2.422 -0.072) 2.423 24.573 ( 0.100 -2.206 -0.052) 2.209 24.676 ( 0.172 0.635 -0.014) 0.658 24.693 ( 0.317 -0.703 0.025) 0.772 25.713 ( -0.164 5.761 0.281) 5.770 25.772 ( -0.144 0.128 0.202) 0.280 26.215 ( -2.098 5.416 -0.602) 5.839 26.251 ( -5.284 2.682 -1.587) 6.134 27.009 ( -0.048 4.531 0.211) 4.537 27.102 ( -0.070 -3.878 0.353) 3.894 27.560 ( 0.001 4.222 -0.081) 4.223 27.671 ( 0.227 -5.759 -1.241) 5.896 27.772 ( -0.082 11.273 0.698) 11.295 27.999 ( 0.290 -9.091 0.229) 9.099 28.559 ( 1.456 -1.241 0.523) 1.984 28.658 ( 3.579 -10.288 0.887) 10.929 ======================= Grid point 35 (13/52) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 15.240 0.000 30.275) 33.894 0.644 ( -4.037 0.000 32.374) 32.625 1.234 ( -6.346 0.000 59.357) 59.696 1.772 ( 0.086 0.000 10.758) 10.758 1.867 ( 1.250 0.000 2.063) 2.412 2.185 ( 9.756 0.000 -17.941) 20.422 2.256 ( -2.683 0.000 -0.245) 2.695 2.534 ( -8.140 0.000 2.186) 8.429 2.554 ( 3.661 0.000 1.587) 3.990 2.740 ( -13.933 0.000 -6.784) 15.496 2.778 ( -0.498 0.000 9.066) 9.080 2.810 ( -8.723 0.000 13.638) 16.189 2.811 ( 8.045 0.000 7.866) 11.252 2.890 ( 3.882 0.000 -0.893) 3.983 2.915 ( -3.754 0.000 -5.303) 6.498 3.201 ( 7.150 0.000 -13.440) 15.223 3.314 ( -0.618 0.000 -4.042) 4.089 3.521 ( 0.346 0.000 -4.886) 4.898 3.590 ( 0.712 0.000 0.072) 0.716 3.673 ( 1.326 0.000 -4.972) 5.146 3.756 ( -3.973 0.000 -1.658) 4.305 3.898 ( -1.663 0.000 4.275) 4.587 3.937 ( 2.600 0.000 5.683) 6.249 4.002 ( 0.573 0.000 -4.402) 4.439 4.056 ( -3.458 0.000 6.480) 7.345 4.116 ( -4.547 0.000 14.426) 15.126 4.244 ( 2.588 0.000 -6.535) 7.029 4.256 ( 0.550 0.000 5.967) 5.993 4.374 ( 5.876 0.000 2.648) 6.445 4.396 ( 2.023 0.000 -15.783) 15.912 4.432 ( 1.346 0.000 4.284) 4.491 4.582 ( 3.062 0.000 -6.850) 7.503 4.727 ( -3.549 0.000 6.105) 7.062 4.788 ( -8.425 0.000 -11.180) 13.998 4.804 ( -0.159 0.000 -0.887) 0.901 4.926 ( -3.765 0.000 -0.765) 3.842 5.063 ( -3.020 0.000 9.396) 9.869 5.101 ( 6.069 0.000 -4.159) 7.357 5.140 ( -1.230 0.000 16.347) 16.394 5.214 ( 4.921 0.000 0.152) 4.923 5.407 ( 0.474 0.000 -8.620) 8.633 5.560 ( -2.342 0.000 -11.098) 11.342 5.576 ( 4.608 0.000 -10.186) 11.180 5.682 ( -8.867 0.000 4.700) 10.036 5.725 ( 3.051 0.000 13.085) 13.436 5.868 ( -2.625 0.000 1.366) 2.960 5.927 ( 1.751 0.000 -0.168) 1.759 5.983 ( -3.494 0.000 -4.601) 5.777 6.045 ( 3.959 0.000 -12.203) 12.829 6.294 ( 2.541 0.000 4.511) 5.177 6.298 ( 6.889 0.000 3.280) 7.630 6.409 ( 2.982 0.000 -2.314) 3.774 6.425 ( -5.739 0.000 -1.863) 6.034 6.503 ( 3.681 0.000 0.799) 3.767 6.619 ( 3.051 0.000 -0.018) 3.051 6.640 ( 4.370 0.000 -2.072) 4.837 6.742 ( 0.041 0.000 -11.021) 11.021 6.796 ( 2.927 0.000 2.056) 3.577 6.832 ( -7.244 0.000 -0.261) 7.249 6.903 ( -5.556 0.000 2.502) 6.094 7.052 ( 1.891 0.000 -1.659) 2.515 7.106 ( -3.113 0.000 5.844) 6.622 7.247 ( -0.155 0.000 -1.358) 1.366 7.311 ( 0.376 0.000 4.157) 4.173 7.325 ( -1.113 0.000 5.930) 6.033 7.551 ( -5.944 0.000 6.134) 8.541 7.636 ( 2.692 0.000 5.600) 6.214 7.949 ( 7.467 0.000 -18.937) 20.356 8.151 ( -17.985 0.000 -3.696) 18.361 8.252 ( 7.563 0.000 -4.086) 8.596 8.265 ( -4.214 0.000 0.199) 4.219 8.437 ( -20.098 0.000 -1.716) 20.171 8.534 ( -7.118 0.000 -8.797) 11.316 8.631 ( 7.894 0.000 -10.024) 12.759 9.069 ( -2.408 0.000 -0.155) 2.413 9.137 ( 1.573 0.000 -1.413) 2.115 9.334 ( 9.315 0.000 1.078) 9.377 9.415 ( -5.447 0.000 0.501) 5.470 9.677 ( -9.932 0.000 29.424) 31.055 10.271 ( 0.549 0.000 0.666) 0.863 10.273 ( -0.582 0.000 1.314) 1.437 10.672 ( 1.111 0.000 -1.656) 1.995 10.678 ( -2.936 0.000 0.667) 3.011 10.788 ( 0.061 0.000 0.367) 0.372 10.796 ( -0.212 0.000 0.606) 0.642 10.841 ( -1.671 0.000 7.184) 7.376 11.015 ( 1.140 0.000 -8.739) 8.813 11.591 ( 19.666 0.000 -10.181) 22.145 12.839 ( 1.742 0.000 6.754) 6.975 13.106 ( -0.850 0.000 0.214) 0.877 13.222 ( 1.354 0.000 -0.177) 1.366 13.482 ( -0.797 0.000 -5.691) 5.746 13.830 ( -1.700 0.000 5.756) 6.002 13.893 ( 0.073 0.000 3.852) 3.853 14.273 ( -0.421 0.000 -2.890) 2.920 14.435 ( 1.563 0.000 -7.448) 7.610 15.556 ( 0.878 0.000 0.548) 1.035 15.593 ( -12.298 0.000 0.201) 12.300 15.637 ( -1.693 0.000 9.065) 9.222 16.254 ( 0.170 0.000 -5.993) 5.995 16.339 ( -2.533 0.000 1.972) 3.210 16.497 ( 31.165 0.000 -1.765) 31.215 17.210 ( -0.740 0.000 0.571) 0.935 17.243 ( 0.758 0.000 -0.209) 0.786 24.493 ( -0.429 0.000 1.479) 1.540 24.629 ( 0.535 0.000 -1.767) 1.846 24.668 ( 0.181 0.000 0.171) 0.249 24.680 ( -0.203 0.000 -0.128) 0.240 25.287 ( -1.386 0.000 1.253) 1.868 25.393 ( 0.460 0.000 -1.248) 1.330 25.601 ( -0.560 0.000 2.566) 2.626 25.808 ( 0.376 0.000 -2.483) 2.511 26.883 ( -0.905 0.000 3.962) 4.064 27.269 ( 1.419 0.000 -5.906) 6.074 27.580 ( 1.109 0.000 3.799) 3.957 28.005 ( -31.922 0.000 -9.045) 33.178 28.016 ( -5.845 0.000 8.012) 9.917 28.360 ( -21.221 0.000 6.576) 22.217 28.686 ( 55.896 0.000 -3.254) 55.990 28.918 ( 3.555 0.000 -4.043) 5.384 ======================= Grid point 36 (14/52) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 10.872 0.000 26.101) 28.275 1.174 ( 15.251 0.000 30.194) 33.827 1.670 ( 13.550 0.000 18.543) 22.967 1.906 ( 12.566 0.000 13.588) 18.508 1.967 ( 2.998 0.000 19.854) 20.079 2.159 ( 1.669 0.000 -10.871) 10.998 2.198 ( -13.623 0.000 -5.166) 14.569 2.347 ( -0.284 0.000 -8.702) 8.707 2.467 ( -19.951 0.000 5.684) 20.745 2.578 ( -0.875 0.000 -0.276) 0.917 2.667 ( 2.639 0.000 1.397) 2.986 2.853 ( -1.559 0.000 3.717) 4.031 2.929 ( 2.922 0.000 3.889) 4.864 3.038 ( 15.174 0.000 11.102) 18.801 3.070 ( 8.948 0.000 -4.357) 9.953 3.282 ( 4.002 0.000 -17.616) 18.065 3.311 ( 4.875 0.000 -1.131) 5.005 3.493 ( -1.130 0.000 1.258) 1.691 3.575 ( -0.221 0.000 -2.778) 2.787 3.719 ( 0.587 0.000 -3.855) 3.900 3.722 ( 6.394 0.000 -8.185) 10.386 3.901 ( -2.988 0.000 0.094) 2.990 3.922 ( -1.138 0.000 8.384) 8.461 4.040 ( 2.993 0.000 -6.439) 7.101 4.066 ( 0.054 0.000 -0.656) 0.658 4.113 ( 0.678 0.000 9.921) 9.944 4.203 ( -2.189 0.000 0.062) 2.189 4.260 ( 0.507 0.000 -1.654) 1.730 4.434 ( 5.141 0.000 -21.299) 21.911 4.493 ( -0.875 0.000 10.890) 10.925 4.518 ( -1.303 0.000 3.656) 3.881 4.519 ( 4.691 0.000 5.419) 7.168 4.624 ( -6.679 0.000 2.283) 7.058 4.726 ( 1.219 0.000 -2.517) 2.797 4.847 ( 0.819 0.000 4.568) 4.641 4.876 ( -0.716 0.000 -3.827) 3.894 5.047 ( -3.488 0.000 8.427) 9.120 5.175 ( 2.493 0.000 -4.335) 5.001 5.200 ( -2.198 0.000 11.438) 11.647 5.307 ( 8.239 0.000 -3.586) 8.985 5.322 ( -22.691 0.000 -2.394) 22.817 5.366 ( -2.688 0.000 -12.364) 12.652 5.490 ( 3.521 0.000 -6.941) 7.783 5.496 ( -5.470 0.000 4.483) 7.072 5.733 ( -11.756 0.000 -2.916) 12.113 5.815 ( 0.661 0.000 3.492) 3.554 5.848 ( -7.473 0.000 2.086) 7.759 5.977 ( 2.337 0.000 6.114) 6.546 6.051 ( 3.513 0.000 -9.056) 9.714 6.274 ( -4.294 0.000 -3.586) 5.594 6.292 ( -3.335 0.000 -2.805) 4.358 6.376 ( -4.592 0.000 -0.120) 4.594 6.424 ( -0.143 0.000 -2.661) 2.664 6.582 ( -0.092 0.000 5.270) 5.270 6.584 ( -1.604 0.000 -3.842) 4.164 6.641 ( -3.333 0.000 -3.565) 4.881 6.665 ( -1.433 0.000 3.590) 3.866 6.728 ( 0.869 0.000 -2.991) 3.115 6.833 ( -0.971 0.000 1.554) 1.833 6.966 ( -0.952 0.000 6.797) 6.863 6.992 ( 0.938 0.000 10.526) 10.567 7.029 ( -3.460 0.000 -2.590) 4.322 7.195 ( -0.642 0.000 -4.073) 4.123 7.269 ( -0.356 0.000 -4.764) 4.777 7.397 ( 4.400 0.000 1.881) 4.785 7.540 ( 1.269 0.000 3.761) 3.969 7.737 ( 0.256 0.000 4.203) 4.211 7.967 ( 1.149 0.000 11.123) 11.182 8.003 ( 5.868 0.000 -12.753) 14.039 8.209 ( -5.500 0.000 -16.017) 16.935 8.281 ( 1.266 0.000 2.740) 3.018 8.314 ( -1.105 0.000 0.006) 1.105 8.529 ( 8.472 0.000 -5.350) 10.019 8.762 ( 9.652 0.000 -3.854) 10.393 9.041 ( 0.195 0.000 0.220) 0.294 9.184 ( 0.280 0.000 1.900) 1.921 9.271 ( -8.048 0.000 -5.266) 9.618 9.465 ( 6.186 0.000 9.626) 11.442 9.620 ( -9.703 0.000 31.397) 32.862 10.269 ( -0.435 0.000 1.220) 1.296 10.269 ( -0.593 0.000 1.262) 1.395 10.641 ( -0.540 0.000 -0.070) 0.545 10.670 ( -0.162 0.000 -6.546) 6.548 10.794 ( 0.853 0.000 0.810) 1.176 10.796 ( -0.058 0.000 0.350) 0.355 10.847 ( -1.592 0.000 6.750) 6.935 10.942 ( -1.972 0.000 -4.743) 5.136 11.720 ( 0.812 0.000 -16.974) 16.994 12.877 ( -2.468 0.000 6.998) 7.421 13.105 ( 0.054 0.000 0.845) 0.847 13.249 ( 0.179 0.000 0.585) 0.612 13.489 ( 7.567 0.000 -11.329) 13.624 13.824 ( -1.612 0.000 5.784) 6.005 13.922 ( -1.263 0.000 6.242) 6.368 14.268 ( 1.859 0.000 -3.003) 3.532 14.400 ( -0.406 0.000 -7.942) 7.952 15.443 ( -3.663 0.000 4.500) 5.803 15.567 ( -0.699 0.000 1.024) 1.240 15.638 ( -2.947 0.000 10.354) 10.765 16.223 ( 1.378 0.000 -4.181) 4.402 16.324 ( 0.128 0.000 -1.729) 1.733 16.925 ( 9.911 0.000 -13.443) 16.702 17.206 ( 0.108 0.000 0.405) 0.419 17.298 ( 3.896 0.000 -0.868) 3.992 24.489 ( -0.725 0.000 1.467) 1.637 24.625 ( 0.171 0.000 -1.811) 1.819 24.681 ( 0.309 0.000 -0.197) 0.367 24.685 ( 0.968 0.000 0.110) 0.974 25.265 ( -1.280 0.000 2.542) 2.846 25.402 ( 1.027 0.000 -1.225) 1.598 25.603 ( -0.825 0.000 2.657) 2.782 25.796 ( 0.012 0.000 -2.517) 2.517 26.887 ( -1.057 0.000 4.281) 4.410 27.267 ( 1.761 0.000 -6.054) 6.305 27.435 ( -16.549 0.000 13.854) 21.583 27.603 ( -1.702 0.000 4.954) 5.238 27.966 ( -2.292 0.000 5.897) 6.327 28.294 ( -1.214 0.000 5.494) 5.626 28.952 ( 1.343 0.000 -2.783) 3.090 29.333 ( 20.126 0.000 -27.599) 34.158 ======================= Grid point 37 (15/52) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 7.436 0.000 21.155) 22.424 1.529 ( 2.331 0.000 27.356) 27.455 1.727 ( -9.471 0.000 6.685) 11.592 1.802 ( -13.756 0.000 -2.486) 13.979 1.985 ( -13.243 0.000 -1.103) 13.289 2.129 ( 6.431 0.000 11.678) 13.332 2.143 ( 0.436 0.000 -12.636) 12.643 2.349 ( 0.789 0.000 -12.034) 12.059 2.438 ( 1.603 0.000 11.924) 12.031 2.631 ( 8.275 0.000 7.846) 11.404 2.710 ( 1.071 0.000 -3.507) 3.667 2.971 ( 2.088 0.000 -0.384) 2.123 2.987 ( 8.376 0.000 13.811) 16.152 3.197 ( 4.351 0.000 -0.907) 4.444 3.215 ( 3.300 0.000 -15.258) 15.611 3.347 ( 5.878 0.000 4.323) 7.297 3.431 ( 5.124 0.000 -5.249) 7.335 3.541 ( -1.227 0.000 -3.241) 3.465 3.570 ( 2.175 0.000 5.985) 6.368 3.715 ( 3.644 0.000 -4.527) 5.812 3.765 ( -3.678 0.000 3.868) 5.338 3.868 ( -0.409 0.000 1.805) 1.851 3.927 ( 1.473 0.000 8.524) 8.650 3.945 ( -8.092 0.000 -1.627) 8.254 4.088 ( 0.506 0.000 6.171) 6.192 4.209 ( 1.983 0.000 6.241) 6.548 4.228 ( -0.741 0.000 -1.007) 1.251 4.283 ( -0.521 0.000 2.561) 2.613 4.391 ( -8.156 0.000 3.132) 8.737 4.436 ( 9.789 0.000 -10.908) 14.657 4.510 ( -6.595 0.000 5.142) 8.362 4.548 ( 0.913 0.000 -7.068) 7.127 4.688 ( 1.706 0.000 -9.410) 9.563 4.752 ( 7.461 0.000 3.382) 8.192 4.828 ( 0.859 0.000 0.748) 1.139 4.881 ( -6.679 0.000 -10.114) 12.121 4.894 ( 0.591 0.000 7.685) 7.708 5.093 ( 2.981 0.000 6.663) 7.300 5.214 ( -1.886 0.000 2.737) 3.324 5.229 ( -2.588 0.000 -11.429) 11.718 5.261 ( 5.391 0.000 0.661) 5.431 5.370 ( -11.529 0.000 -1.102) 11.581 5.400 ( 0.722 0.000 -2.063) 2.186 5.504 ( -6.488 0.000 15.581) 16.878 5.584 ( 10.504 0.000 -7.787) 13.076 5.761 ( -2.734 0.000 9.906) 10.276 5.784 ( -4.738 0.000 -1.844) 5.084 6.003 ( -6.793 0.000 -3.214) 7.515 6.086 ( -0.179 0.000 -0.131) 0.221 6.146 ( 5.426 0.000 -5.761) 7.914 6.263 ( -5.532 0.000 -0.406) 5.547 6.277 ( 2.323 0.000 -3.524) 4.221 6.357 ( -4.158 0.000 -6.237) 7.496 6.511 ( -6.174 0.000 -0.174) 6.177 6.551 ( 1.410 0.000 -6.371) 6.526 6.576 ( -2.458 0.000 -0.042) 2.458 6.634 ( -4.601 0.000 -1.778) 4.932 6.727 ( 1.099 0.000 -3.209) 3.392 6.822 ( -0.664 0.000 -2.063) 2.168 6.908 ( -4.547 0.000 9.036) 10.116 6.960 ( -0.086 0.000 -0.001) 0.086 7.149 ( 2.586 0.000 11.793) 12.073 7.213 ( 3.050 0.000 -3.535) 4.669 7.262 ( 3.675 0.000 -14.013) 14.487 7.438 ( -2.077 0.000 4.732) 5.168 7.629 ( 4.328 0.000 3.436) 5.526 7.689 ( -4.002 0.000 -1.624) 4.319 7.992 ( 5.094 0.000 -26.998) 27.474 8.086 ( 3.698 0.000 4.418) 5.761 8.099 ( 0.532 0.000 -4.068) 4.103 8.297 ( 0.097 0.000 1.210) 1.214 8.361 ( 0.401 0.000 13.014) 13.020 8.576 ( 1.657 0.000 -11.898) 12.012 8.903 ( -1.662 0.000 1.284) 2.101 9.084 ( 3.577 0.000 5.397) 6.475 9.153 ( 2.540 0.000 1.318) 2.861 9.170 ( -2.888 0.000 4.496) 5.343 9.618 ( -0.023 0.000 9.203) 9.203 9.655 ( -5.043 0.000 27.140) 27.604 10.261 ( -0.736 0.000 0.392) 0.834 10.270 ( -0.283 0.000 1.475) 1.502 10.615 ( 2.617 0.000 -13.883) 14.127 10.658 ( 1.572 0.000 1.928) 2.488 10.797 ( -0.077 0.000 0.203) 0.218 10.801 ( -0.497 0.000 -0.160) 0.522 10.851 ( -1.881 0.000 6.543) 6.808 10.913 ( -0.134 0.000 -0.831) 0.841 11.622 ( 1.005 0.000 -13.813) 13.850 12.825 ( -4.884 0.000 4.170) 6.422 13.111 ( -0.007 0.000 1.026) 1.026 13.234 ( -0.830 0.000 -0.886) 1.214 13.576 ( 6.424 0.000 -15.381) 16.669 13.828 ( -1.761 0.000 6.090) 6.340 13.925 ( -1.997 0.000 7.788) 8.040 14.304 ( 2.379 0.000 -2.088) 3.166 14.352 ( 0.818 0.000 -7.366) 7.411 15.420 ( -1.552 0.000 3.598) 3.919 15.543 ( -1.317 0.000 -0.049) 1.318 15.640 ( -2.782 0.000 10.719) 11.074 16.275 ( 4.140 0.000 -3.624) 5.502 16.314 ( 0.044 0.000 1.056) 1.057 16.955 ( 1.877 0.000 -9.075) 9.267 17.216 ( 0.437 0.000 0.953) 1.049 17.344 ( 0.936 0.000 -1.379) 1.667 24.484 ( -0.565 0.000 1.487) 1.590 24.620 ( 0.378 0.000 -1.749) 1.789 24.688 ( 0.364 0.000 0.013) 0.364 24.699 ( 0.329 0.000 0.014) 0.329 25.262 ( -0.663 0.000 2.786) 2.864 25.414 ( 0.702 0.000 -1.350) 1.522 25.599 ( -0.957 0.000 2.532) 2.707 25.787 ( 0.493 0.000 -2.227) 2.281 26.888 ( -1.284 0.000 4.460) 4.641 27.272 ( 1.937 0.000 -5.853) 6.165 27.306 ( -5.132 0.000 10.436) 11.629 27.569 ( -3.007 0.000 2.131) 3.685 27.996 ( 0.478 0.000 9.510) 9.522 28.301 ( -1.192 0.000 4.544) 4.697 28.936 ( -0.739 0.000 -4.415) 4.477 29.454 ( 8.682 0.000 -23.846) 25.377 ======================= Grid point 38 (16/52) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -23.417 0.000 13.749) 27.155 1.313 ( -28.393 0.000 16.394) 32.786 1.607 ( -7.044 0.000 6.961) 9.903 1.876 ( -3.305 0.000 5.103) 6.080 1.943 ( 18.193 0.000 6.228) 19.229 2.059 ( 0.093 0.000 -10.073) 10.073 2.190 ( -21.352 0.000 1.930) 21.439 2.307 ( 0.706 0.000 -3.192) 3.269 2.409 ( 6.522 0.000 17.639) 18.806 2.686 ( 0.613 0.000 -7.758) 7.782 2.815 ( 2.497 0.000 -0.387) 2.527 2.936 ( -11.999 0.000 8.972) 14.982 3.080 ( 5.381 0.000 -5.043) 7.375 3.268 ( -8.078 0.000 3.705) 8.887 3.287 ( 6.390 0.000 10.573) 12.354 3.340 ( 4.606 0.000 -12.537) 13.357 3.440 ( -13.483 0.000 -2.292) 13.676 3.495 ( -0.231 0.000 -3.785) 3.792 3.499 ( 3.759 0.000 -5.151) 6.377 3.612 ( -9.460 0.000 1.405) 9.563 3.837 ( 0.630 0.000 0.813) 1.029 3.851 ( 4.550 0.000 7.631) 8.884 3.959 ( -8.522 0.000 5.439) 10.110 4.023 ( 4.489 0.000 -1.010) 4.601 4.100 ( 1.236 0.000 -0.401) 1.300 4.170 ( -3.789 0.000 6.355) 7.398 4.189 ( 4.399 0.000 0.404) 4.418 4.258 ( -6.694 0.000 4.185) 7.894 4.322 ( 3.588 0.000 3.433) 4.966 4.387 ( -10.265 0.000 -4.117) 11.060 4.479 ( -0.991 0.000 1.662) 1.935 4.599 ( 3.943 0.000 -3.823) 5.492 4.717 ( -0.771 0.000 -2.372) 2.494 4.838 ( 16.601 0.000 -9.678) 19.216 4.852 ( 4.973 0.000 0.129) 4.974 4.974 ( 2.928 0.000 1.791) 3.433 4.991 ( 0.826 0.000 9.617) 9.652 5.125 ( -0.262 0.000 -12.455) 12.458 5.208 ( -6.666 0.000 10.875) 12.755 5.258 ( -1.125 0.000 -7.379) 7.464 5.291 ( 12.321 0.000 4.244) 13.032 5.354 ( 9.107 0.000 3.455) 9.740 5.450 ( -0.104 0.000 4.090) 4.092 5.516 ( 4.380 0.000 12.155) 12.920 5.610 ( -5.204 0.000 -8.180) 9.695 5.743 ( -2.367 0.000 -2.324) 3.317 5.855 ( 5.443 0.000 -10.477) 11.807 5.859 ( 4.917 0.000 9.763) 10.931 6.022 ( -6.390 0.000 0.158) 6.392 6.124 ( -1.748 0.000 -6.353) 6.590 6.225 ( -3.608 0.000 -1.415) 3.875 6.306 ( 8.262 0.000 -4.832) 9.571 6.310 ( 2.609 0.000 -2.222) 3.427 6.408 ( -2.972 0.000 -5.009) 5.824 6.558 ( 0.899 0.000 2.005) 2.197 6.575 ( 4.044 0.000 -5.278) 6.649 6.584 ( 4.750 0.000 -3.877) 6.131 6.715 ( -0.829 0.000 -3.107) 3.216 6.782 ( -0.781 0.000 -4.181) 4.253 6.886 ( -2.388 0.000 7.262) 7.645 7.003 ( 2.001 0.000 1.673) 2.608 7.175 ( -3.655 0.000 -2.556) 4.460 7.240 ( 1.433 0.000 -2.699) 3.056 7.283 ( 2.157 0.000 4.673) 5.147 7.408 ( -3.334 0.000 4.015) 5.218 7.593 ( -3.053 0.000 -4.510) 5.446 7.683 ( -0.901 0.000 1.088) 1.412 7.990 ( 9.169 0.000 -28.669) 30.099 8.075 ( -0.841 0.000 -1.439) 1.666 8.159 ( 2.876 0.000 -1.178) 3.108 8.307 ( -1.008 0.000 6.143) 6.225 8.450 ( 0.289 0.000 17.189) 17.191 8.535 ( 1.949 0.000 -9.895) 10.086 8.832 ( -3.389 0.000 -1.534) 3.719 9.118 ( -1.005 0.000 3.970) 4.096 9.124 ( -4.111 0.000 3.946) 5.698 9.369 ( 8.089 0.000 17.100) 18.916 9.509 ( -12.281 0.000 1.959) 12.436 9.655 ( -8.412 0.000 18.567) 20.384 10.249 ( -0.309 0.000 -0.371) 0.483 10.273 ( -0.320 0.000 1.724) 1.753 10.651 ( 5.959 0.000 -10.341) 11.935 10.711 ( 1.120 0.000 4.379) 4.520 10.788 ( -0.792 0.000 0.197) 0.817 10.797 ( 0.027 0.000 0.284) 0.285 10.843 ( -2.489 0.000 6.365) 6.834 10.899 ( 0.604 0.000 -2.206) 2.287 11.632 ( 6.585 0.000 -13.817) 15.306 12.764 ( -2.302 0.000 2.575) 3.454 13.117 ( -0.001 0.000 1.226) 1.226 13.221 ( 0.085 0.000 -1.452) 1.454 13.540 ( -0.213 0.000 -17.336) 17.338 13.819 ( -2.006 0.000 5.620) 5.967 13.935 ( -1.729 0.000 8.480) 8.655 14.321 ( 0.219 0.000 -1.672) 1.686 14.366 ( 4.165 0.000 -6.623) 7.824 15.415 ( -0.819 0.000 4.108) 4.189 15.531 ( 0.298 0.000 -0.538) 0.615 15.646 ( -2.799 0.000 10.962) 11.314 16.273 ( 0.253 0.000 -4.601) 4.608 16.376 ( 1.393 0.000 4.952) 5.144 16.920 ( 0.023 0.000 -12.761) 12.761 17.228 ( -0.178 0.000 1.503) 1.514 17.322 ( -1.963 0.000 -2.029) 2.824 24.485 ( -0.231 0.000 1.506) 1.523 24.621 ( 0.713 0.000 -1.762) 1.901 24.692 ( -0.059 0.000 0.202) 0.210 24.697 ( -0.496 0.000 -0.162) 0.522 25.267 ( -0.490 0.000 3.099) 3.137 25.412 ( -0.112 0.000 -1.453) 1.457 25.595 ( -0.704 0.000 2.398) 2.499 25.793 ( 1.206 0.000 -2.028) 2.360 26.886 ( -1.318 0.000 4.260) 4.459 27.277 ( 1.678 0.000 -5.539) 5.788 27.315 ( -0.184 0.000 13.238) 13.240 27.529 ( -1.089 0.000 0.289) 1.126 28.066 ( -0.916 0.000 13.217) 13.248 28.293 ( -1.879 0.000 3.792) 4.232 28.887 ( -0.149 0.000 -7.063) 7.064 29.449 ( 4.272 0.000 -25.845) 26.195 ======================= Grid point 39 (17/52) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( -21.009 0.000 22.727) 30.950 0.788 ( -30.413 0.000 8.952) 31.703 1.328 ( -29.469 0.000 41.833) 51.170 1.786 ( -8.595 0.000 9.471) 12.790 1.873 ( -2.315 0.000 -1.465) 2.740 2.058 ( 6.213 0.000 -7.541) 9.771 2.292 ( 2.011 0.000 0.990) 2.242 2.413 ( 17.167 0.000 2.705) 17.379 2.545 ( -1.075 0.000 -2.761) 2.963 2.742 ( 4.129 0.000 15.526) 16.066 2.776 ( -5.129 0.000 -3.021) 5.953 2.796 ( -5.738 0.000 5.946) 8.264 2.967 ( -10.488 0.000 -0.547) 10.502 3.059 ( -8.200 0.000 -1.947) 8.428 3.098 ( -15.659 0.000 -2.335) 15.833 3.299 ( -2.888 0.000 -11.857) 12.204 3.357 ( -2.070 0.000 -5.014) 5.424 3.518 ( 2.933 0.000 -5.286) 6.045 3.529 ( 4.469 0.000 -3.084) 5.429 3.727 ( 9.794 0.000 14.536) 17.528 3.761 ( -7.080 0.000 -1.203) 7.181 3.875 ( -1.227 0.000 -1.130) 1.668 3.926 ( -0.743 0.000 0.458) 0.873 4.018 ( 1.596 0.000 -7.278) 7.451 4.094 ( -5.577 0.000 12.925) 14.077 4.175 ( -3.549 0.000 1.881) 4.017 4.188 ( -2.276 0.000 8.251) 8.559 4.226 ( 2.559 0.000 -6.127) 6.640 4.320 ( -2.316 0.000 -4.216) 4.811 4.355 ( 6.070 0.000 2.750) 6.664 4.424 ( -1.871 0.000 -0.157) 1.878 4.670 ( 2.492 0.000 -0.787) 2.613 4.732 ( -1.284 0.000 7.312) 7.424 4.824 ( -7.417 0.000 -19.531) 20.892 4.943 ( 3.343 0.000 0.134) 3.346 5.037 ( 4.654 0.000 -3.249) 5.676 5.047 ( -1.071 0.000 13.200) 13.243 5.070 ( 1.277 0.000 -9.237) 9.324 5.136 ( -6.961 0.000 11.520) 13.459 5.213 ( -12.380 0.000 -11.415) 16.839 5.402 ( 9.787 0.000 -4.037) 10.587 5.421 ( 4.541 0.000 7.507) 8.773 5.536 ( -0.124 0.000 4.975) 4.977 5.691 ( -1.007 0.000 -4.942) 5.044 5.701 ( 6.561 0.000 2.614) 7.063 5.756 ( 14.731 0.000 5.533) 15.736 5.882 ( -0.128 0.000 2.931) 2.934 5.984 ( 2.977 0.000 0.344) 2.997 6.023 ( 6.934 0.000 -14.448) 16.026 6.140 ( 6.364 0.000 -0.679) 6.400 6.200 ( 1.321 0.000 2.233) 2.595 6.367 ( 1.789 0.000 -3.752) 4.157 6.393 ( 5.322 0.000 2.297) 5.796 6.427 ( 5.196 0.000 -2.899) 5.950 6.604 ( 0.064 0.000 -1.056) 1.058 6.631 ( -0.531 0.000 -1.606) 1.691 6.703 ( 9.362 0.000 -8.996) 12.984 6.765 ( 0.615 0.000 -0.686) 0.922 6.793 ( 13.303 0.000 8.324) 15.692 6.881 ( -1.785 0.000 5.621) 5.898 7.025 ( 0.298 0.000 0.011) 0.298 7.042 ( -5.650 0.000 -5.135) 7.634 7.249 ( 0.238 0.000 -0.562) 0.610 7.335 ( -4.543 0.000 2.732) 5.302 7.356 ( -1.479 0.000 9.651) 9.764 7.545 ( 1.651 0.000 0.256) 1.671 7.642 ( -3.850 0.000 3.190) 5.000 7.955 ( 3.454 0.000 -22.334) 22.599 8.131 ( 6.665 0.000 -4.987) 8.324 8.199 ( 2.374 0.000 -3.793) 4.475 8.334 ( 0.634 0.000 0.620) 0.887 8.550 ( 4.969 0.000 -9.964) 11.134 8.685 ( 15.442 0.000 27.122) 31.210 8.723 ( -6.050 0.000 -4.335) 7.443 9.020 ( -8.459 0.000 1.456) 8.584 9.109 ( -1.914 0.000 2.891) 3.467 9.244 ( -10.431 0.000 -3.192) 10.908 9.535 ( -9.101 0.000 11.679) 14.807 9.610 ( 1.523 0.000 22.003) 22.055 10.244 ( 0.020 0.000 0.331) 0.332 10.275 ( -0.435 0.000 1.608) 1.666 10.674 ( 0.580 0.000 -3.608) 3.654 10.727 ( -2.063 0.000 3.254) 3.853 10.775 ( 0.042 0.000 -0.921) 0.922 10.799 ( -0.267 0.000 0.525) 0.588 10.834 ( -1.865 0.000 7.233) 7.470 10.939 ( 4.418 0.000 -4.097) 6.026 11.627 ( -1.041 0.000 -20.231) 20.258 12.770 ( 1.104 0.000 3.836) 3.992 13.124 ( -0.122 0.000 0.312) 0.335 13.214 ( 0.133 0.000 -1.379) 1.386 13.447 ( 1.845 0.000 -10.130) 10.297 13.821 ( -1.041 0.000 5.771) 5.864 13.935 ( -3.049 0.000 5.781) 6.536 14.302 ( -0.794 0.000 -1.933) 2.089 14.418 ( 4.025 0.000 -6.892) 7.981 15.471 ( 4.874 0.000 8.402) 9.714 15.539 ( 0.683 0.000 -0.428) 0.806 15.650 ( -2.931 0.000 10.899) 11.286 16.262 ( 1.275 0.000 -4.776) 4.943 16.389 ( -2.756 0.000 4.444) 5.229 16.702 ( -14.953 0.000 -25.721) 29.752 17.224 ( -0.944 0.000 1.270) 1.583 17.262 ( -2.078 0.000 -1.133) 2.366 24.490 ( -0.129 0.000 1.489) 1.495 24.627 ( 0.799 0.000 -1.979) 2.135 24.680 ( -0.933 0.000 -0.268) 0.971 24.688 ( -0.416 0.000 0.128) 0.435 25.280 ( 0.122 0.000 2.966) 2.969 25.399 ( -0.214 0.000 -1.383) 1.400 25.598 ( -0.475 0.000 2.450) 2.496 25.806 ( 1.114 0.000 -2.177) 2.446 26.883 ( -1.265 0.000 3.874) 4.076 27.275 ( 1.305 0.000 -5.594) 5.744 27.536 ( 1.221 0.000 1.216) 1.724 27.548 ( 17.616 0.000 26.732) 32.015 28.079 ( -5.145 0.000 12.377) 13.404 28.276 ( -1.504 0.000 3.605) 3.906 28.875 ( 3.026 0.000 -6.830) 7.470 29.225 ( -14.631 0.000 -37.864) 40.592 ======================= Grid point 40 (18/52) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 9.673 20.092 20.477) 30.275 1.019 ( -1.975 25.033 20.743) 32.570 1.474 ( -4.581 18.785 41.221) 45.530 1.831 ( 0.108 -0.189 7.212) 7.215 1.867 ( 0.479 6.971 4.634) 8.384 2.267 ( 0.107 3.428 -12.626) 13.084 2.310 ( 5.884 5.959 -4.012) 9.286 2.443 ( -0.588 -2.566 3.058) 4.035 2.612 ( -2.119 0.824 -2.361) 3.278 2.707 ( -6.248 3.315 7.035) 9.975 2.753 ( 0.278 -0.399 1.900) 1.961 2.858 ( -3.016 -1.522 -1.247) 3.601 2.894 ( 5.600 5.924 -2.582) 8.551 2.945 ( -12.334 6.934 1.686) 14.250 3.104 ( 0.712 6.947 2.618) 7.458 3.230 ( 4.764 1.533 -10.436) 11.574 3.335 ( -0.125 -1.063 -3.614) 3.769 3.480 ( 5.494 -5.170 -2.507) 7.949 3.530 ( 3.024 -1.568 -7.814) 8.525 3.634 ( -4.128 -1.044 -1.476) 4.506 3.813 ( 0.295 -1.340 4.033) 4.260 3.938 ( -2.110 -2.459 -0.465) 3.273 3.967 ( -2.335 3.819 5.850) 7.366 4.027 ( -4.181 -2.170 0.407) 4.728 4.089 ( 3.010 9.926 -3.092) 10.823 4.161 ( -1.806 0.516 6.497) 6.763 4.246 ( -0.432 4.690 1.327) 4.893 4.261 ( 2.661 4.038 -0.725) 4.890 4.344 ( 1.313 0.113 0.926) 1.610 4.430 ( -0.352 2.277 -7.191) 7.551 4.520 ( 5.771 3.628 1.933) 7.086 4.655 ( -3.127 1.962 0.043) 3.692 4.697 ( -3.211 2.276 -0.574) 3.978 4.793 ( -5.650 2.972 -9.811) 11.705 4.869 ( 0.246 1.370 0.008) 1.392 4.908 ( -1.543 -1.297 3.332) 3.894 5.078 ( 0.793 1.975 2.489) 3.275 5.123 ( -0.714 2.363 4.913) 5.498 5.201 ( 3.084 4.147 3.717) 6.366 5.269 ( 4.629 5.170 0.724) 6.977 5.426 ( -0.138 1.317 -2.849) 3.141 5.482 ( -1.607 -7.369 6.145) 9.728 5.574 ( -6.635 -1.210 -2.846) 7.320 5.630 ( -1.669 0.456 -5.570) 5.833 5.735 ( 4.031 -0.022 10.103) 10.878 5.790 ( 1.720 -5.370 -3.172) 6.470 5.909 ( -2.816 2.015 -4.007) 5.296 5.988 ( 1.569 0.613 -5.814) 6.053 6.131 ( 2.980 5.539 -10.164) 11.953 6.268 ( 3.689 -3.734 -0.608) 5.284 6.301 ( 0.127 1.204 4.292) 4.460 6.334 ( -1.317 -4.644 1.625) 5.093 6.397 ( 3.248 -1.329 -0.891) 3.620 6.533 ( 3.433 2.664 1.814) 4.708 6.563 ( 2.940 -1.149 2.405) 3.968 6.636 ( -1.324 1.464 0.476) 2.030 6.753 ( 1.168 -0.205 1.019) 1.564 6.810 ( -1.690 -2.665 4.083) 5.160 6.833 ( -5.439 -4.025 3.346) 7.549 6.945 ( -2.313 6.122 -7.618) 10.043 7.121 ( -1.865 2.545 3.524) 4.730 7.158 ( 1.181 4.758 -3.659) 6.117 7.199 ( -0.190 3.789 0.796) 3.877 7.398 ( 4.390 5.813 -6.256) 9.602 7.484 ( 0.788 6.600 5.683) 8.745 7.565 ( -0.410 1.956 4.604) 5.019 7.632 ( -3.386 -0.174 2.883) 4.451 7.952 ( -10.022 -5.635 1.424) 11.586 8.075 ( -6.404 0.014 -3.332) 7.220 8.250 ( 2.465 2.534 -4.366) 5.617 8.323 ( 3.532 -0.377 -0.439) 3.580 8.337 ( -0.704 -0.889 -4.067) 4.222 8.526 ( -7.440 -3.570 -5.230) 9.770 8.564 ( 5.354 -2.782 -6.583) 8.930 8.967 ( -4.178 -5.822 0.320) 7.173 9.036 ( 2.152 -4.053 -0.703) 4.643 9.294 ( 16.229 -5.211 10.178) 19.853 9.369 ( -7.915 -0.876 2.222) 8.268 9.600 ( -7.478 -4.945 13.047) 15.830 9.717 ( 6.210 -14.202 11.549) 19.330 10.232 ( -0.813 -2.265 4.762) 5.335 10.600 ( -1.205 -11.728 2.207) 11.995 10.637 ( -0.634 -2.838 -2.211) 3.653 10.690 ( 0.857 -8.998 -0.730) 9.068 10.763 ( -0.075 2.712 2.432) 3.644 10.865 ( -1.467 0.499 4.889) 5.129 11.078 ( -2.598 -6.238 -1.698) 6.968 11.524 ( 6.602 -2.633 -7.443) 10.292 12.807 ( 0.389 -0.632 6.196) 6.240 13.308 ( 0.891 14.964 0.654) 15.005 13.451 ( 3.829 2.202 -6.605) 7.946 13.652 ( -2.042 -7.516 3.531) 8.551 13.964 ( 3.630 19.698 -16.437) 25.910 14.031 ( -4.784 4.442 -10.188) 12.101 14.153 ( -0.707 -0.196 -0.596) 0.945 14.542 ( 0.589 5.344 -6.068) 8.107 15.458 ( -4.226 -6.880 6.132) 10.139 15.589 ( -2.920 -1.895 6.375) 7.263 15.613 ( -0.085 0.349 2.003) 2.035 16.225 ( 1.071 -2.783 -6.067) 6.760 16.376 ( -2.962 3.481 1.826) 4.922 16.487 ( 14.892 1.890 1.015) 15.046 17.153 ( -0.318 -5.395 0.809) 5.465 17.202 ( 0.216 -2.907 -1.161) 3.137 24.493 ( -0.526 -0.202 1.149) 1.279 24.616 ( 0.343 -0.961 -1.549) 1.855 24.672 ( 0.172 0.324 0.037) 0.368 24.679 ( -0.105 -0.264 -0.179) 0.336 25.366 ( -0.939 9.052 3.681) 9.817 25.655 ( -0.653 4.528 2.896) 5.414 25.884 ( -0.166 7.265 -3.427) 8.035 25.990 ( 1.728 28.941 -30.232) 41.887 26.904 ( -0.922 1.977 4.135) 4.675 27.312 ( 1.615 3.793 -6.364) 7.582 27.540 ( -0.272 -4.105 4.127) 5.827 27.779 ( -18.286 -15.497 9.345) 25.726 27.987 ( -5.425 -2.797 7.617) 9.761 28.283 ( -6.830 -5.647 9.231) 12.796 28.489 ( 27.106 -6.695 -0.873) 27.934 28.829 ( 3.390 -7.883 -4.476) 9.678 ======================= Grid point 41 (19/52) ======================= q-point: ( 0.20 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 9.892 20.611 18.146) 29.188 1.311 ( 11.396 12.160 25.293) 30.289 1.744 ( 5.303 7.065 11.169) 14.241 1.893 ( 8.770 -1.938 1.332) 9.080 2.029 ( 5.666 6.435 21.477) 23.125 2.221 ( 2.464 5.410 -8.159) 10.095 2.308 ( -9.785 5.828 -0.407) 11.396 2.426 ( 3.980 5.329 -2.940) 7.272 2.530 ( -9.594 4.332 -0.640) 10.546 2.588 ( -7.029 4.011 8.675) 11.865 2.748 ( 0.184 2.564 -6.869) 7.334 2.775 ( 2.299 2.583 1.997) 3.993 2.869 ( 3.908 -1.946 2.228) 4.901 3.072 ( 5.719 -0.047 -1.210) 5.846 3.199 ( 9.032 3.133 3.011) 10.023 3.275 ( 1.017 1.703 -5.010) 5.388 3.296 ( 3.612 -2.057 -2.050) 4.635 3.526 ( -1.036 -4.283 -1.431) 4.633 3.562 ( 1.684 4.343 -3.207) 5.655 3.657 ( 8.479 -0.665 -3.122) 9.060 3.820 ( -0.819 1.794 1.545) 2.505 3.878 ( -1.265 0.103 0.646) 1.424 3.948 ( -2.503 3.199 3.921) 5.646 4.026 ( 4.032 -3.571 -10.080) 11.429 4.073 ( -1.495 0.339 1.965) 2.492 4.187 ( 4.015 6.880 -0.426) 7.977 4.256 ( 0.049 5.172 -0.966) 5.262 4.292 ( 0.877 3.101 1.976) 3.780 4.389 ( 1.249 -3.673 4.603) 6.020 4.429 ( 1.157 1.334 -2.756) 3.274 4.521 ( -1.966 0.610 -0.622) 2.151 4.613 ( -0.975 0.946 2.652) 2.980 4.686 ( 2.081 6.107 -3.589) 7.383 4.778 ( 0.493 4.504 5.504) 7.129 4.885 ( 1.257 1.793 -1.633) 2.732 4.908 ( -1.058 2.825 3.406) 4.549 5.104 ( -1.590 4.215 4.412) 6.305 5.152 ( 1.520 0.257 3.532) 3.854 5.215 ( -6.976 0.457 -2.957) 7.590 5.286 ( -14.255 -1.313 1.278) 14.372 5.354 ( 0.593 0.203 3.515) 3.570 5.425 ( 0.893 2.744 -10.358) 10.753 5.444 ( -1.331 2.933 -0.584) 3.274 5.569 ( -0.660 4.384 -4.776) 6.516 5.693 ( -7.969 -1.314 -3.179) 8.679 5.792 ( -5.571 -1.651 0.291) 5.818 5.852 ( 0.466 -8.230 1.336) 8.351 5.954 ( -2.521 5.590 0.753) 6.178 6.116 ( 0.819 4.781 -3.880) 6.212 6.184 ( -1.318 -6.003 -3.871) 7.264 6.295 ( -2.803 -4.335 1.354) 5.336 6.312 ( -5.646 -1.249 -3.657) 6.842 6.419 ( -1.157 -0.534 -1.228) 1.769 6.567 ( -0.313 1.539 -1.283) 2.028 6.616 ( -1.414 1.214 2.546) 3.155 6.631 ( -0.959 -0.828 -1.127) 1.695 6.683 ( -1.399 3.826 8.036) 9.009 6.776 ( -3.694 -4.460 4.561) 7.371 6.804 ( -3.038 3.874 -5.086) 7.078 6.906 ( 6.136 -3.316 2.966) 7.579 7.034 ( -7.987 4.300 8.328) 12.315 7.100 ( -1.403 1.480 -2.493) 3.221 7.212 ( 1.256 4.906 -0.241) 5.070 7.364 ( -6.107 6.653 0.122) 9.032 7.478 ( 5.767 3.937 -8.698) 11.154 7.551 ( -0.186 1.913 1.950) 2.738 7.727 ( 2.912 -0.931 4.498) 5.439 7.901 ( 2.181 -5.725 9.582) 11.373 8.070 ( 2.939 5.364 -8.483) 10.458 8.220 ( -5.098 2.405 -6.408) 8.534 8.307 ( 0.004 1.404 0.149) 1.412 8.322 ( 1.180 0.322 -7.779) 7.874 8.528 ( 6.525 0.284 -0.839) 6.585 8.638 ( 5.744 -7.918 -4.474) 10.756 8.917 ( 0.204 -5.420 1.762) 5.702 9.147 ( 5.564 -2.478 -2.528) 6.595 9.261 ( -4.534 -0.960 1.264) 4.804 9.475 ( -6.863 -8.767 19.030) 22.048 9.546 ( 3.805 0.972 3.310) 5.137 10.052 ( 15.649 -13.262 2.922) 20.720 10.237 ( -1.534 -1.893 5.511) 6.026 10.560 ( -3.050 -7.547 -2.691) 8.573 10.627 ( 0.283 -4.941 0.393) 4.964 10.686 ( -0.544 -9.047 0.147) 9.065 10.798 ( 0.494 3.389 1.990) 3.961 10.865 ( -1.383 0.002 2.795) 3.118 10.980 ( -3.164 -4.244 -1.027) 5.392 11.624 ( 4.831 -5.783 -10.394) 12.838 12.828 ( -2.209 -1.855 6.053) 6.705 13.324 ( -0.528 16.007 2.074) 16.150 13.485 ( -0.084 3.262 -6.828) 7.567 13.604 ( -2.028 3.648 -0.042) 4.174 13.715 ( -4.221 10.857 -8.658) 14.514 14.023 ( 0.763 0.433 -0.297) 0.927 14.154 ( -0.323 -2.109 1.701) 2.729 14.508 ( 0.088 5.252 -6.374) 8.260 15.398 ( -2.995 -3.708 4.966) 6.883 15.571 ( -2.369 -1.288 4.628) 5.357 15.620 ( -1.017 0.139 5.465) 5.561 16.218 ( 2.190 -1.240 -5.400) 5.958 16.345 ( -0.644 2.874 -0.210) 2.953 16.845 ( 12.811 -5.463 -6.815) 15.505 17.158 ( 0.233 -4.640 0.336) 4.658 17.216 ( 2.013 -5.365 -0.171) 5.733 24.486 ( -0.696 -0.137 1.347) 1.523 24.612 ( 0.230 -0.879 -1.543) 1.791 24.678 ( 0.323 -0.222 -0.101) 0.405 24.688 ( 0.824 0.066 -0.054) 0.828 25.367 ( -1.124 9.329 3.851) 10.155 25.655 ( -1.006 4.701 2.775) 5.551 25.731 ( -6.590 21.309 -10.830) 24.795 25.884 ( -0.366 8.309 -3.791) 9.141 26.909 ( -1.108 2.011 4.465) 5.021 27.311 ( 1.828 3.821 -6.377) 7.656 27.395 ( -12.494 -3.282 12.124) 17.716 27.584 ( -2.312 -1.576 4.282) 5.115 27.942 ( -2.360 -2.137 6.349) 7.102 28.258 ( -1.059 -3.232 4.894) 5.960 28.856 ( 1.790 -8.472 -3.528) 9.350 29.066 ( 21.744 -19.121 -15.663) 32.920 ======================= Grid point 42 (20/52) ======================= q-point: ( 0.40 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 5.375 16.180 18.706) 25.310 1.581 ( 6.654 4.837 11.701) 14.304 1.728 ( -10.042 4.514 8.179) 13.715 1.929 ( -12.812 7.922 6.790) 16.523 2.051 ( -4.103 2.226 -5.620) 7.306 2.148 ( -1.590 6.531 -2.173) 7.065 2.276 ( 1.274 9.883 9.138) 13.521 2.337 ( 0.526 -0.180 -2.202) 2.271 2.526 ( 2.028 5.723 -4.348) 7.468 2.688 ( 0.805 4.365 -2.556) 5.122 2.760 ( 3.044 3.426 2.572) 5.256 2.865 ( 4.904 -5.136 2.085) 7.401 2.946 ( 2.326 -3.657 6.731) 8.006 3.137 ( 8.521 -0.731 -6.314) 10.631 3.279 ( 0.339 2.777 -1.977) 3.426 3.363 ( 2.683 -3.365 2.597) 5.027 3.408 ( 3.148 1.555 -1.447) 3.798 3.545 ( 2.600 -2.076 4.113) 5.290 3.675 ( 8.057 2.809 -1.239) 8.622 3.728 ( -1.421 1.919 -6.174) 6.620 3.840 ( 4.183 6.082 4.071) 8.430 3.911 ( 2.274 3.936 4.138) 6.147 3.927 ( -4.802 3.010 -1.102) 5.774 3.983 ( -1.736 -0.393 2.707) 3.240 4.102 ( 0.316 3.948 3.285) 5.145 4.227 ( 0.086 0.073 2.937) 2.939 4.261 ( -0.729 6.432 4.193) 7.713 4.328 ( -4.222 -0.679 5.903) 7.289 4.383 ( 3.645 0.084 -11.637) 12.195 4.463 ( -7.509 7.388 6.345) 12.298 4.518 ( 8.644 5.097 0.436) 10.045 4.674 ( 1.635 0.635 -4.851) 5.158 4.700 ( 5.136 1.238 -5.178) 7.397 4.796 ( -2.698 5.366 2.582) 6.538 4.836 ( -8.647 -2.787 -10.071) 13.563 4.849 ( 0.620 5.168 -2.449) 5.753 4.919 ( -0.272 1.170 6.279) 6.393 5.110 ( -0.092 -1.655 3.522) 3.892 5.166 ( -1.085 -1.020 3.672) 3.962 5.237 ( 2.026 0.428 8.267) 8.523 5.275 ( -3.199 1.948 -10.057) 10.732 5.379 ( -4.875 0.148 -1.593) 5.131 5.465 ( 0.917 4.078 -1.656) 4.496 5.498 ( -5.902 1.763 10.009) 11.752 5.611 ( 4.049 0.002 -2.700) 4.867 5.729 ( 0.490 -0.169 1.723) 1.799 5.811 ( -3.646 0.235 3.800) 5.271 5.950 ( 1.476 -9.651 -2.538) 10.088 6.039 ( -8.583 1.467 -5.056) 10.069 6.166 ( -0.101 -1.661 -4.797) 5.078 6.224 ( 2.037 -1.373 1.890) 3.099 6.273 ( 1.496 2.352 -2.485) 3.734 6.364 ( -2.029 0.481 -6.548) 6.872 6.526 ( -5.933 1.823 -1.462) 6.376 6.548 ( 0.226 0.415 -5.841) 5.860 6.595 ( -6.120 2.411 1.096) 6.668 6.649 ( 0.210 -0.090 -2.648) 2.658 6.750 ( -1.663 -0.075 3.294) 3.690 6.765 ( -0.551 0.127 -1.282) 1.401 6.929 ( -5.549 1.664 4.711) 7.467 7.048 ( 3.673 -6.275 4.802) 8.713 7.088 ( 0.613 5.451 0.016) 5.485 7.233 ( 0.011 4.283 -0.020) 4.284 7.294 ( 0.761 3.166 -3.908) 5.087 7.532 ( 2.805 3.753 -4.111) 6.234 7.559 ( 0.227 -4.242 0.319) 4.260 7.755 ( -0.693 4.600 1.592) 4.917 7.930 ( 0.492 -5.750 -9.615) 11.214 8.096 ( 2.871 2.409 -1.040) 3.890 8.141 ( -0.194 3.629 -0.958) 3.759 8.328 ( 1.621 1.652 -3.607) 4.286 8.343 ( 1.313 -2.024 3.520) 4.267 8.558 ( 0.482 0.352 -7.280) 7.304 8.712 ( 1.124 -11.374 0.255) 11.432 9.018 ( 4.185 -3.119 6.073) 8.008 9.110 ( -3.529 0.454 1.345) 3.803 9.281 ( 3.181 2.283 2.389) 4.587 9.483 ( -2.630 -8.444 14.158) 16.693 9.637 ( 0.893 -3.200 7.574) 8.270 10.232 ( -1.693 -2.650 4.838) 5.770 10.356 ( 12.688 -2.342 0.631) 12.918 10.420 ( -7.789 -6.255 -8.269) 12.968 10.646 ( 0.395 -6.958 1.857) 7.212 10.684 ( 0.351 -4.768 2.474) 5.383 10.769 ( -1.349 -2.809 -3.243) 4.497 10.843 ( -1.521 -1.828 4.123) 4.759 10.976 ( -0.077 -0.165 1.376) 1.388 11.614 ( 2.303 -1.308 -11.806) 12.099 12.792 ( -3.644 -0.860 4.753) 6.050 13.311 ( -1.286 15.856 1.529) 15.981 13.393 ( -2.085 9.976 -3.358) 10.731 13.620 ( 0.785 -2.272 0.466) 2.448 13.682 ( 2.395 1.666 -8.350) 8.845 14.038 ( 0.823 -0.408 0.103) 0.924 14.147 ( -1.230 -2.082 1.966) 3.116 14.493 ( 1.716 5.491 -4.650) 7.397 15.382 ( -1.510 -3.206 4.026) 5.364 15.547 ( -1.615 -0.494 2.799) 3.269 15.625 ( -1.997 -0.131 6.983) 7.264 16.251 ( 2.764 -2.403 -5.282) 6.427 16.350 ( 1.053 3.658 2.592) 4.606 16.940 ( 2.657 -1.514 -7.658) 8.246 17.163 ( 0.105 -4.740 0.423) 4.760 17.256 ( 1.114 -7.127 -0.707) 7.248 24.482 ( -0.489 -0.015 1.502) 1.580 24.609 ( 0.377 -0.723 -1.522) 1.727 24.685 ( 0.320 -0.376 0.020) 0.494 24.701 ( 0.357 0.070 -0.099) 0.378 25.365 ( -1.143 9.025 3.714) 9.827 25.617 ( -0.409 15.867 -3.779) 16.316 25.653 ( -1.082 4.865 2.625) 5.633 25.866 ( 0.402 6.749 -2.593) 7.241 26.909 ( -1.357 1.983 4.641) 5.226 27.290 ( -4.094 -0.968 8.191) 9.208 27.320 ( 1.690 3.868 -5.235) 6.725 27.550 ( -2.603 -1.558 1.759) 3.507 27.967 ( 0.053 -2.527 9.476) 9.807 28.264 ( -1.045 -3.278 4.012) 5.285 28.847 ( -0.202 -7.815 -4.697) 9.120 29.255 ( 8.382 -16.298 -18.934) 26.351 ======================= Grid point 43 (21/52) ======================= q-point: (-0.40 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -19.512 13.588 3.815) 24.081 1.465 ( -22.620 13.005 18.420) 31.939 1.704 ( -5.292 9.236 3.115) 11.091 1.834 ( -1.276 0.334 7.278) 7.397 2.090 ( 13.986 9.045 3.061) 16.935 2.152 ( 0.967 6.993 -3.031) 7.682 2.307 ( -8.332 1.922 3.078) 9.088 2.332 ( -8.900 8.714 -6.362) 13.987 2.469 ( 6.227 6.497 13.047) 15.850 2.684 ( -2.269 -1.126 -2.993) 3.922 2.768 ( 4.059 -1.437 -1.652) 4.612 2.911 ( -8.857 -1.285 6.381) 10.992 3.052 ( 5.875 -2.398 -4.866) 7.997 3.246 ( 3.391 -2.706 0.227) 4.344 3.314 ( -6.354 -3.420 -5.572) 9.117 3.328 ( 3.547 0.368 2.126) 4.152 3.401 ( 0.686 3.934 -4.026) 5.670 3.487 ( -6.493 -5.135 5.269) 9.813 3.589 ( -10.004 8.727 -1.215) 13.331 3.704 ( -6.410 8.254 -2.688) 10.791 3.796 ( -3.104 0.782 2.882) 4.307 3.919 ( 4.900 -4.150 6.433) 9.090 3.938 ( -5.546 -3.005 0.067) 6.308 4.049 ( 2.355 -0.058 -2.684) 3.571 4.147 ( -0.051 -2.291 -5.019) 5.518 4.224 ( -5.640 12.531 7.051) 15.445 4.251 ( -1.106 6.606 6.565) 9.379 4.276 ( 1.630 7.874 3.204) 8.656 4.360 ( 3.523 3.562 3.242) 5.967 4.464 ( -2.099 -0.271 0.676) 2.222 4.525 ( -9.095 7.890 -3.314) 12.489 4.580 ( 3.324 -0.538 -1.867) 3.850 4.696 ( 1.128 -1.197 -6.854) 7.049 4.831 ( 3.639 -1.069 4.448) 5.845 4.880 ( 9.662 1.928 -3.690) 10.521 4.989 ( 4.921 1.311 1.038) 5.197 5.068 ( 9.604 6.617 1.296) 11.734 5.138 ( -1.144 0.664 -3.630) 3.863 5.182 ( 1.756 -1.735 0.930) 2.638 5.262 ( 0.564 -3.372 11.859) 12.342 5.312 ( 0.321 3.234 2.160) 3.902 5.362 ( 3.999 1.673 1.249) 4.511 5.422 ( 5.906 1.863 0.250) 6.198 5.567 ( 3.815 3.181 6.695) 8.336 5.628 ( -5.787 -2.857 -8.789) 10.904 5.755 ( 3.400 3.269 2.083) 5.156 5.845 ( 3.558 -0.216 6.241) 7.187 5.908 ( -1.679 -5.071 -6.911) 8.735 5.954 ( 3.900 0.415 -5.529) 6.779 6.096 ( -1.333 -1.576 0.430) 2.108 6.212 ( -4.260 -0.366 -2.516) 4.961 6.287 ( 1.541 2.094 -5.213) 5.825 6.349 ( 2.064 -0.691 -8.258) 8.540 6.410 ( 0.826 3.292 -0.412) 3.419 6.500 ( -0.604 -0.934 0.806) 1.373 6.566 ( 4.280 -1.198 -4.777) 6.525 6.662 ( 3.120 1.957 -3.535) 5.105 6.716 ( -3.061 -2.403 0.803) 3.973 6.771 ( 1.434 2.587 0.283) 2.971 6.863 ( -2.648 -0.486 2.382) 3.594 7.068 ( -2.050 -0.763 0.600) 2.268 7.146 ( 1.816 -2.437 4.280) 5.249 7.227 ( 0.188 5.210 0.456) 5.234 7.308 ( 1.683 5.578 -1.893) 6.126 7.532 ( -1.333 4.659 -2.823) 5.608 7.553 ( -0.876 -3.418 -1.105) 3.698 7.752 ( -0.110 6.160 0.605) 6.191 7.905 ( 3.589 -6.807 -12.706) 14.855 8.107 ( -1.254 2.394 -0.054) 2.703 8.158 ( 1.943 0.405 0.404) 2.026 8.329 ( -0.309 0.199 0.153) 0.398 8.400 ( 2.042 -2.161 3.061) 4.267 8.517 ( 0.078 0.306 -6.145) 6.153 8.716 ( -0.452 -8.571 -1.203) 8.666 9.019 ( -2.974 -2.651 3.498) 5.301 9.113 ( -2.259 -2.028 5.149) 5.977 9.394 ( 0.460 -1.246 8.860) 8.959 9.454 ( -3.896 -1.599 8.624) 9.598 9.667 ( -2.700 -2.093 9.305) 9.912 10.144 ( -11.555 -6.804 -8.994) 16.146 10.232 ( -2.220 -4.440 2.805) 5.702 10.549 ( 5.721 -8.194 -1.585) 10.118 10.640 ( -1.124 -8.520 1.272) 8.688 10.716 ( -1.275 -3.150 1.584) 3.750 10.798 ( 3.929 0.065 1.952) 4.387 10.852 ( 1.538 -0.611 3.471) 3.845 10.943 ( -2.465 -1.376 0.363) 2.847 11.615 ( 3.382 -1.998 -11.687) 12.330 12.758 ( -1.831 0.649 4.105) 4.541 13.290 ( -0.914 14.435 0.374) 14.468 13.413 ( 4.942 9.115 -2.211) 10.602 13.618 ( 1.334 7.424 -6.995) 10.287 13.662 ( -0.478 -4.232 -2.551) 4.965 14.065 ( 1.739 -0.292 -0.149) 1.770 14.138 ( -0.744 -2.191 2.479) 3.391 14.516 ( 2.617 5.703 -3.848) 7.360 15.379 ( -0.973 -3.062 4.492) 5.523 15.547 ( 0.449 0.951 0.962) 1.425 15.619 ( -2.886 -1.517 8.570) 9.170 16.249 ( 0.700 -2.266 -5.320) 5.825 16.405 ( 0.884 2.951 5.286) 6.118 16.894 ( -2.678 -2.237 -11.221) 11.751 17.166 ( -0.332 -5.466 1.128) 5.591 17.243 ( -1.512 -6.144 -1.177) 6.436 24.484 ( -0.154 0.048 1.541) 1.550 24.610 ( 0.559 -0.706 -1.507) 1.755 24.687 ( -0.200 -0.429 0.146) 0.495 24.699 ( -0.374 0.068 -0.216) 0.437 25.364 ( -0.992 8.550 3.506) 9.294 25.648 ( -0.574 5.246 2.235) 5.731 25.655 ( 6.213 17.626 -2.920) 18.916 25.873 ( 1.607 6.990 -2.470) 7.586 26.907 ( -1.383 1.938 4.441) 5.039 27.290 ( -0.563 -1.062 8.347) 8.433 27.331 ( 1.906 3.661 -2.961) 5.080 27.516 ( -0.839 -0.974 0.364) 1.336 28.027 ( -1.139 -3.371 12.664) 13.154 28.257 ( -1.670 -3.203 3.409) 4.967 28.807 ( 0.052 -7.096 -6.803) 9.830 29.224 ( -0.912 -17.832 -20.786) 27.402 ======================= Grid point 44 (22/52) ======================= q-point: (-0.20 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -20.876 16.255 6.961) 27.358 1.123 ( -17.362 22.419 15.667) 32.396 1.535 ( -18.072 16.066 28.250) 37.186 1.827 ( -3.140 1.538 5.639) 6.635 1.931 ( -10.914 7.963 3.076) 13.856 2.203 ( 5.213 11.208 -5.280) 13.442 2.315 ( 1.294 -1.077 -3.919) 4.266 2.420 ( 5.504 3.356 4.311) 7.755 2.597 ( 6.345 4.447 -0.279) 7.753 2.660 ( 0.274 -2.623 5.767) 6.341 2.765 ( -4.725 0.547 2.866) 5.553 2.926 ( 7.320 6.842 3.696) 10.680 2.978 ( -10.760 1.928 -2.387) 11.189 3.049 ( -9.108 -0.128 -1.778) 9.280 3.208 ( -6.749 -2.598 -6.501) 9.724 3.296 ( -7.306 -0.396 -1.546) 7.478 3.336 ( 0.160 -2.001 -6.609) 6.907 3.431 ( 0.763 4.285 -1.888) 4.744 3.560 ( -2.438 -1.590 -4.752) 5.572 3.669 ( 5.555 -2.289 6.263) 8.679 3.812 ( 2.385 0.439 3.787) 4.497 3.824 ( 0.466 -2.960 -1.916) 3.557 3.996 ( -1.644 -3.303 2.187) 4.289 4.094 ( -4.035 0.721 7.832) 8.839 4.116 ( -0.602 7.151 1.263) 7.287 4.185 ( 2.150 0.047 -4.088) 4.619 4.242 ( -5.922 4.833 3.223) 8.296 4.281 ( -3.211 9.291 0.309) 9.835 4.309 ( 0.619 4.539 -1.017) 4.692 4.412 ( 1.585 0.853 0.390) 1.842 4.460 ( 1.310 6.032 -3.217) 6.960 4.669 ( 1.251 1.070 2.813) 3.260 4.753 ( 1.023 0.144 7.865) 7.933 4.864 ( -5.056 1.231 -6.973) 8.701 4.919 ( 2.373 -2.482 -1.874) 3.913 5.067 ( -4.674 1.717 3.947) 6.353 5.092 ( 3.000 4.348 -4.946) 7.237 5.126 ( -5.454 1.539 -2.194) 6.077 5.150 ( 0.814 5.328 -1.655) 5.638 5.226 ( -4.440 2.912 -5.540) 7.674 5.357 ( -1.033 -4.675 10.084) 11.163 5.448 ( 8.120 3.730 -0.518) 8.951 5.562 ( 0.759 1.897 4.404) 4.855 5.646 ( 6.015 -3.758 -2.417) 7.493 5.690 ( 2.919 -1.184 1.738) 3.598 5.760 ( -1.620 -2.388 3.798) 4.770 5.900 ( 6.172 3.052 -5.643) 8.902 5.954 ( 4.795 -1.945 -5.269) 7.385 6.070 ( 8.010 1.888 -8.072) 11.527 6.174 ( 5.657 3.918 1.375) 7.017 6.194 ( 2.621 -0.231 0.937) 2.793 6.290 ( 3.084 -2.795 -1.296) 4.359 6.338 ( 3.138 -2.381 -2.403) 4.614 6.497 ( 2.492 2.673 0.533) 3.693 6.527 ( 1.020 -2.250 -1.317) 2.799 6.649 ( 0.001 2.735 -0.806) 2.851 6.714 ( 2.680 -2.298 2.472) 4.309 6.757 ( 8.229 -3.692 7.681) 11.847 6.815 ( 1.392 -1.234 1.237) 2.234 6.877 ( 7.006 4.651 0.369) 8.418 7.012 ( -1.825 1.419 -0.763) 2.434 7.197 ( 1.042 5.775 -2.289) 6.299 7.223 ( -1.407 3.172 1.768) 3.894 7.347 ( 3.411 3.504 -2.689) 5.581 7.459 ( -3.537 5.970 2.698) 7.445 7.525 ( -0.037 -2.050 -1.519) 2.552 7.745 ( -4.623 6.348 6.545) 10.223 7.915 ( 5.968 -2.752 -12.720) 14.317 8.135 ( 4.287 0.025 -1.397) 4.509 8.211 ( 3.096 -1.113 -0.002) 3.290 8.335 ( 0.290 -3.551 4.041) 5.387 8.422 ( -3.474 -6.715 5.185) 9.168 8.507 ( 2.834 -2.161 -7.849) 8.620 8.671 ( -3.005 -6.305 -2.749) 7.506 8.983 ( -2.114 -1.578 4.738) 5.423 9.055 ( -4.144 -1.415 2.134) 4.871 9.243 ( -10.205 0.403 -0.446) 10.222 9.557 ( -0.303 -3.432 17.487) 17.824 9.601 ( -9.424 1.587 1.529) 9.678 9.810 ( -14.338 -18.196 -2.484) 23.299 10.222 ( -0.827 -3.036 3.447) 4.667 10.605 ( -0.260 -12.262 2.126) 12.448 10.642 ( 1.941 -3.818 -2.020) 4.736 10.683 ( -1.502 -7.364 0.068) 7.516 10.792 ( -2.802 0.627 1.222) 3.120 10.875 ( -2.247 1.691 4.930) 5.676 11.022 ( 6.663 -3.507 1.421) 7.662 11.562 ( -1.971 -3.488 -11.867) 12.525 12.766 ( 0.046 0.833 4.785) 4.857 13.289 ( 0.484 15.000 0.498) 15.016 13.452 ( 0.973 0.168 -8.571) 8.628 13.655 ( -0.386 -7.537 2.469) 7.941 13.750 ( 17.180 24.466 -8.695) 31.134 14.092 ( 1.905 -1.997 -5.094) 5.794 14.150 ( 0.379 2.639 3.458) 4.367 14.545 ( 2.219 5.710 -4.773) 7.766 15.414 ( 1.598 -4.336 7.527) 8.833 15.571 ( 1.973 2.532 -0.852) 3.321 15.607 ( -3.495 -3.423 10.247) 11.355 16.236 ( 1.056 -2.421 -5.332) 5.950 16.420 ( -2.335 2.967 4.592) 5.945 16.639 ( -14.907 -2.560 -14.485) 20.942 17.161 ( -0.804 -5.600 1.199) 5.783 17.210 ( -0.630 -3.724 -0.934) 3.891 24.491 ( -0.064 -0.067 1.350) 1.353 24.614 ( 0.625 -0.827 -1.510) 1.832 24.678 ( -0.606 -0.074 -0.045) 0.612 24.688 ( -0.541 -0.143 -0.111) 0.571 25.364 ( -0.898 8.541 3.455) 9.257 25.650 ( -0.532 4.565 2.677) 5.319 25.848 ( 11.713 18.233 -8.129) 23.145 25.908 ( 7.427 16.197 -8.974) 19.950 26.904 ( -1.312 1.932 4.062) 4.686 27.315 ( 1.486 3.225 -5.031) 6.158 27.458 ( 7.307 -5.306 14.533) 17.110 27.545 ( 4.949 -0.904 7.907) 9.372 28.039 ( -4.737 -3.531 11.865) 13.255 28.242 ( -1.371 -3.036 3.384) 4.748 28.793 ( 2.448 -7.276 -6.646) 10.154 28.897 ( -21.462 -19.934 -21.070) 36.082 ======================= Grid point 45 (23/52) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 6.363 20.216 12.519) 24.615 1.519 ( -1.314 20.416 14.048) 24.816 1.793 ( -3.131 8.175 13.862) 16.395 1.895 ( -0.166 6.363 7.396) 9.757 2.019 ( 0.501 5.386 7.728) 9.433 2.284 ( 0.137 0.930 -0.570) 1.099 2.415 ( -1.110 3.047 -3.520) 4.786 2.526 ( -1.638 4.809 -3.809) 6.349 2.650 ( 2.265 5.459 -4.888) 7.670 2.736 ( 2.129 0.365 1.721) 2.762 2.806 ( -1.377 -4.082 -0.832) 4.387 2.880 ( -2.705 8.963 0.116) 9.363 2.938 ( -0.108 -2.731 -2.784) 3.901 3.061 ( -3.318 2.816 4.166) 6.024 3.137 ( 6.197 -2.811 -7.298) 9.978 3.220 ( -8.410 -1.076 6.413) 10.631 3.332 ( 1.316 3.450 -6.731) 7.677 3.392 ( 0.046 -3.219 -4.425) 5.472 3.495 ( 6.443 -0.008 -6.308) 9.017 3.623 ( 3.275 -3.990 -0.330) 5.173 3.763 ( 2.624 -1.033 10.505) 10.876 3.848 ( -5.240 -0.704 3.063) 6.110 3.976 ( -1.805 -0.939 4.698) 5.120 4.076 ( -1.707 3.105 -0.189) 3.549 4.187 ( -3.192 3.140 1.659) 4.776 4.256 ( 1.790 4.077 0.140) 4.455 4.336 ( 2.539 2.096 -6.495) 7.282 4.356 ( -2.366 3.604 0.489) 4.339 4.443 ( 5.869 6.314 -0.690) 8.648 4.520 ( -6.785 2.344 -10.413) 12.648 4.566 ( -2.440 6.391 6.758) 9.616 4.640 ( -6.842 -1.284 3.708) 7.888 4.766 ( 3.642 0.238 -4.539) 5.825 4.827 ( -4.975 -1.073 -5.616) 7.579 4.871 ( 2.658 0.448 4.123) 4.926 4.989 ( 2.471 7.069 0.224) 7.492 5.108 ( -0.757 -2.238 0.161) 2.368 5.134 ( -0.135 -0.676 4.765) 4.815 5.238 ( -3.111 -1.809 9.362) 10.030 5.305 ( 1.154 -0.622 -7.238) 7.356 5.410 ( -1.056 -3.345 2.695) 4.423 5.462 ( 3.453 0.160 9.171) 9.801 5.560 ( 0.778 -0.410 -1.780) 1.985 5.633 ( -0.526 5.019 2.291) 5.542 5.721 ( -2.134 6.325 -0.550) 6.698 5.820 ( 2.990 4.405 -3.964) 6.638 5.975 ( 0.587 -0.749 -2.420) 2.600 6.030 ( -0.044 2.824 -3.901) 4.816 6.129 ( 2.026 -2.132 -0.565) 2.995 6.249 ( 2.225 -2.452 -0.891) 3.429 6.285 ( -2.923 3.798 -3.197) 5.761 6.334 ( 1.996 -1.780 -1.052) 2.874 6.446 ( -3.772 7.403 -1.643) 8.469 6.548 ( 0.102 -1.781 5.518) 5.799 6.600 ( 1.748 4.587 1.623) 5.170 6.696 ( -0.141 2.896 0.878) 3.030 6.733 ( 6.522 3.935 5.808) 9.579 6.783 ( 0.430 2.613 3.338) 4.261 6.819 ( -0.894 1.413 -1.022) 1.960 6.997 ( -0.938 -1.684 -8.045) 8.273 7.172 ( -1.338 2.596 -0.267) 2.933 7.258 ( -1.245 0.308 0.395) 1.342 7.286 ( -5.409 4.874 -5.474) 9.109 7.455 ( 4.551 -3.790 -3.707) 6.987 7.458 ( 2.601 -7.387 4.600) 9.082 7.577 ( 2.738 2.303 6.048) 7.027 7.720 ( -7.710 -2.478 3.948) 9.010 7.828 ( -5.086 3.895 0.979) 6.480 8.153 ( 2.289 -1.317 0.213) 2.649 8.259 ( 4.358 -0.802 -7.503) 8.714 8.351 ( 3.174 9.166 -6.096) 11.456 8.404 ( -1.254 4.664 -3.494) 5.961 8.521 ( -2.790 7.411 1.660) 8.091 8.623 ( 3.104 6.588 -4.125) 8.370 8.915 ( -5.095 0.838 -0.864) 5.235 9.037 ( -2.407 2.510 -3.135) 4.682 9.203 ( 11.636 -3.297 5.514) 13.292 9.313 ( -3.938 -2.793 1.787) 5.148 9.522 ( -3.321 -2.353 0.947) 4.178 9.566 ( 3.057 -1.445 2.307) 4.094 10.158 ( -0.873 -7.555 6.166) 9.791 10.300 ( 0.125 -15.958 2.018) 16.086 10.411 ( -0.707 -12.713 0.598) 12.747 10.505 ( -0.063 -12.893 -2.404) 13.115 10.652 ( 0.397 -12.314 5.211) 13.378 10.813 ( -2.659 -5.542 7.076) 9.373 11.020 ( -1.075 4.793 -2.652) 5.582 11.457 ( 3.466 -4.292 -7.767) 9.527 12.848 ( -1.194 4.412 6.237) 7.732 13.365 ( 0.024 -8.030 2.035) 8.284 13.540 ( 1.829 2.169 -7.502) 8.021 13.741 ( 0.287 15.828 4.494) 16.456 13.872 ( 2.054 -6.884 -6.490) 9.682 14.174 ( 0.593 4.470 3.178) 5.516 14.379 ( -2.179 9.404 -11.918) 15.337 14.612 ( 0.234 1.148 -5.143) 5.275 15.329 ( -2.750 -4.694 7.644) 9.382 15.492 ( -3.295 -6.010 9.958) 12.089 15.683 ( 1.616 5.329 -3.698) 6.684 16.135 ( 1.977 -5.530 -6.152) 8.505 16.484 ( -2.314 6.490 1.656) 7.086 16.592 ( 5.032 7.314 -0.484) 8.892 17.005 ( -0.174 -7.931 1.088) 8.007 17.113 ( 0.396 -5.601 -1.906) 5.930 24.498 ( -0.462 0.862 1.103) 1.474 24.595 ( 0.192 -0.929 -0.957) 1.348 24.669 ( -0.031 -0.591 -0.292) 0.660 24.676 ( 0.189 -0.030 -0.271) 0.331 25.595 ( -0.982 10.814 5.544) 12.192 25.763 ( -0.873 4.782 3.884) 6.222 26.074 ( 0.387 10.158 -3.841) 10.866 26.386 ( 0.773 9.188 -23.040) 24.816 26.966 ( -0.952 3.800 4.571) 6.020 27.344 ( -1.721 -6.974 6.386) 9.611 27.456 ( 0.043 3.753 -5.031) 6.277 27.581 ( -1.941 -3.590 5.203) 6.612 27.915 ( -4.310 -3.284 8.895) 10.416 28.163 ( -1.001 -5.877 4.917) 7.727 28.401 ( 7.591 -2.662 -3.804) 8.898 28.621 ( 2.781 -10.437 -4.766) 11.806 ======================= Grid point 46 (24/52) ======================= q-point: ( 0.20 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 6.713 10.867 10.823) 16.742 1.657 ( 1.465 15.620 20.040) 25.450 1.882 ( -0.651 4.152 0.323) 4.215 1.944 ( 11.095 6.520 2.231) 13.061 2.137 ( 3.257 4.139 5.496) 7.612 2.322 ( 2.952 1.734 1.689) 3.818 2.408 ( -2.784 6.202 -0.150) 6.800 2.535 ( 6.999 5.610 -4.295) 9.945 2.624 ( 1.115 4.447 2.061) 5.026 2.729 ( -6.219 4.092 4.800) 8.858 2.810 ( -5.502 5.162 -1.208) 7.640 2.852 ( 0.570 3.200 1.908) 3.769 2.985 ( 2.780 6.184 -2.326) 7.168 3.024 ( 8.051 0.729 0.642) 8.109 3.087 ( -1.489 -7.584 -1.579) 7.888 3.255 ( 7.951 -0.927 -9.347) 12.306 3.348 ( -1.097 -2.130 -1.161) 2.662 3.426 ( 3.673 -0.732 1.500) 4.035 3.605 ( 5.660 -0.624 -1.244) 5.828 3.713 ( 5.186 4.583 4.039) 8.013 3.790 ( -0.459 -2.852 6.325) 6.954 3.891 ( 3.543 -3.727 1.992) 5.514 3.942 ( 0.575 0.271 -5.726) 5.761 4.031 ( -0.651 3.333 -0.099) 3.397 4.124 ( -2.073 3.766 -1.503) 4.554 4.290 ( -4.592 0.559 -0.115) 4.628 4.324 ( 3.390 -1.216 2.593) 4.438 4.338 ( 1.204 4.607 -5.105) 6.981 4.404 ( 5.371 5.420 -6.594) 10.084 4.507 ( -2.514 5.277 2.656) 6.421 4.608 ( 4.798 -1.173 3.100) 5.832 4.612 ( 2.699 5.959 1.198) 6.651 4.784 ( -1.666 1.440 -0.421) 2.242 4.805 ( 2.072 -2.267 2.541) 3.986 4.907 ( -6.418 0.890 4.620) 7.958 5.003 ( 4.426 4.712 0.988) 6.540 5.099 ( -5.853 -6.042 0.168) 8.414 5.173 ( -1.766 1.054 0.721) 2.179 5.235 ( -2.729 -3.634 11.919) 12.756 5.247 ( 0.621 4.184 -1.105) 4.372 5.412 ( -1.301 -0.145 0.055) 1.310 5.457 ( -6.282 5.472 -7.038) 10.906 5.597 ( -1.199 6.604 2.998) 7.351 5.641 ( -2.937 -4.713 3.482) 6.555 5.662 ( 3.738 4.050 -0.631) 5.547 5.716 ( -9.094 5.268 -10.405) 14.788 5.868 ( -7.519 5.434 -3.107) 9.783 6.021 ( -7.066 -5.615 -2.385) 9.335 6.073 ( -1.790 0.665 -2.382) 3.053 6.215 ( -1.184 2.101 -0.181) 2.419 6.237 ( 0.521 -4.386 1.810) 4.774 6.281 ( -6.735 4.533 0.781) 8.156 6.399 ( 0.644 -0.696 -1.256) 1.574 6.582 ( -3.650 -1.116 -0.251) 3.825 6.652 ( 5.289 4.788 6.734) 9.811 6.682 ( -1.665 3.995 -1.124) 4.472 6.717 ( -3.681 1.120 -3.123) 4.955 6.791 ( -2.678 0.318 1.918) 3.309 6.871 ( -2.803 2.702 -3.711) 5.379 6.876 ( 1.744 4.051 8.130) 9.249 7.100 ( -3.540 1.357 0.710) 3.857 7.136 ( -3.951 2.986 -2.149) 5.399 7.253 ( -0.221 -1.360 -1.846) 2.303 7.453 ( -0.965 -4.841 -4.737) 6.841 7.548 ( -2.529 5.584 0.263) 6.136 7.618 ( -1.631 -6.715 8.404) 10.880 7.681 ( 4.076 5.269 -0.294) 6.668 7.784 ( 2.057 -3.313 0.516) 3.933 8.190 ( 1.303 3.212 -0.758) 3.548 8.249 ( -1.902 -2.961 -4.342) 5.589 8.322 ( -1.687 5.810 -3.785) 7.136 8.375 ( 1.205 4.967 -5.525) 7.526 8.551 ( 4.247 5.494 -1.879) 7.193 8.664 ( 2.267 8.047 -2.943) 8.863 8.888 ( 2.856 2.604 1.560) 4.168 9.098 ( 4.666 -3.367 1.851) 6.044 9.228 ( -2.029 3.731 -1.817) 4.620 9.395 ( 1.948 -1.170 2.871) 3.662 9.504 ( 0.941 -2.888 1.030) 3.208 9.788 ( 14.568 -10.858 0.699) 18.182 10.176 ( -0.586 -7.287 6.900) 10.053 10.305 ( -1.088 -13.910 1.796) 14.068 10.430 ( 2.573 -11.878 -0.059) 12.154 10.490 ( 0.018 -10.753 -1.941) 10.927 10.694 ( 0.055 -14.967 4.542) 15.641 10.802 ( -2.503 -6.734 6.838) 9.918 10.963 ( -1.776 8.502 -3.251) 9.274 11.509 ( 5.000 -5.637 -7.970) 10.968 12.848 ( -2.355 3.682 6.059) 7.471 13.375 ( -0.868 -9.617 3.385) 10.233 13.552 ( 3.485 2.606 -8.100) 9.195 13.739 ( -2.606 14.005 3.214) 14.603 13.877 ( 1.606 -2.915 -5.741) 6.636 14.130 ( -6.169 11.306 -5.445) 13.983 14.244 ( -2.300 7.408 1.109) 7.836 14.575 ( -0.400 0.870 -5.286) 5.372 15.312 ( -2.342 -3.665 6.316) 7.669 15.481 ( -3.175 -5.949 9.562) 11.700 15.695 ( 1.328 6.027 -2.568) 6.685 16.156 ( 2.974 -4.515 -5.910) 8.009 16.456 ( -0.799 7.164 0.716) 7.243 16.775 ( 9.877 -0.265 -1.647) 10.017 17.016 ( 0.574 -7.932 1.210) 8.044 17.103 ( -0.197 -5.703 -1.984) 6.041 24.494 ( -0.492 0.996 1.206) 1.640 24.595 ( 0.323 -0.750 -0.989) 1.282 24.668 ( 0.194 -0.545 -0.235) 0.624 24.687 ( 0.801 -0.208 -0.265) 0.869 25.601 ( -1.778 10.962 5.966) 12.606 25.764 ( -1.240 4.853 3.928) 6.365 26.038 ( -1.398 9.998 -4.525) 11.063 26.162 ( -7.731 12.310 -13.792) 20.038 26.972 ( -1.240 3.851 4.915) 6.365 27.295 ( -5.740 -4.954 8.978) 11.751 27.432 ( 2.021 6.089 -8.163) 10.382 27.550 ( -1.971 -1.242 1.950) 3.038 27.889 ( -2.571 -2.185 7.924) 8.612 28.166 ( -0.689 -5.237 3.752) 6.479 28.633 ( 4.394 -10.864 -4.735) 12.640 28.705 ( 13.868 -13.314 -6.546) 20.309 ======================= Grid point 47 (25/52) ======================= q-point: ( 0.40 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 0.105 2.572 4.190) 4.918 1.771 ( 0.594 6.392 10.685) 12.465 1.857 ( -2.331 4.700 4.351) 6.816 2.086 ( -1.616 2.503 5.490) 6.246 2.243 ( 3.606 13.562 -2.320) 14.224 2.307 ( -5.553 10.923 0.565) 12.266 2.385 ( 1.944 6.163 1.508) 6.636 2.517 ( -3.591 11.283 9.445) 15.146 2.631 ( 3.785 2.757 -3.418) 5.797 2.718 ( 1.167 -1.366 -2.176) 2.822 2.770 ( -4.245 2.902 -5.347) 7.418 2.859 ( 0.341 -2.014 -1.481) 2.523 2.967 ( -0.755 7.848 -2.347) 8.226 3.135 ( 4.075 -0.883 0.919) 4.270 3.189 ( 6.122 -4.991 5.542) 9.649 3.334 ( 3.072 -2.660 -6.590) 7.742 3.410 ( 6.353 -9.165 -2.531) 11.436 3.513 ( 0.240 7.417 7.739) 10.722 3.691 ( 1.404 0.985 3.710) 4.087 3.815 ( 2.397 3.262 -3.038) 5.062 3.911 ( 4.035 0.719 1.147) 4.256 3.942 ( 5.059 -1.041 -4.892) 7.115 3.972 ( 2.747 1.614 3.700) 4.883 4.063 ( 4.733 5.219 0.086) 7.046 4.151 ( -1.045 2.494 -2.564) 3.726 4.235 ( -2.261 -5.293 0.642) 5.791 4.349 ( 5.039 6.877 4.690) 9.730 4.399 ( -4.169 3.559 5.881) 8.039 4.442 ( 3.899 3.614 -2.776) 5.998 4.567 ( -7.729 3.414 2.947) 8.949 4.641 ( 5.490 3.324 -1.346) 6.558 4.673 ( 6.765 -1.047 -3.223) 7.566 4.755 ( 1.155 4.768 2.325) 5.428 4.797 ( -5.762 -0.441 -4.996) 7.639 4.889 ( 0.733 -4.080 -1.462) 4.396 4.925 ( 4.429 1.019 7.628) 8.879 4.999 ( -9.576 10.338 1.629) 14.185 5.140 ( -10.358 6.679 -3.827) 12.906 5.154 ( -2.946 0.036 4.700) 5.547 5.237 ( -1.119 -1.859 7.920) 8.212 5.324 ( 3.691 3.977 0.670) 5.467 5.389 ( -2.918 -1.456 -1.272) 3.500 5.501 ( -4.801 -3.782 4.223) 7.428 5.530 ( -1.115 2.467 -1.576) 3.133 5.634 ( -0.696 3.067 1.004) 3.301 5.728 ( -2.647 -0.379 0.402) 2.704 5.782 ( 0.902 -0.346 -3.693) 3.818 5.830 ( -2.483 2.049 -0.405) 3.245 6.023 ( -4.221 -8.239 6.038) 11.053 6.133 ( -5.297 5.402 -2.433) 7.947 6.228 ( -0.193 -0.646 3.736) 3.797 6.335 ( 6.028 1.282 -3.652) 7.163 6.395 ( 1.710 3.456 -7.878) 8.771 6.524 ( 0.237 -1.616 -5.321) 5.566 6.594 ( -0.913 2.443 -8.524) 8.914 6.673 ( -3.389 2.417 -0.073) 4.163 6.708 ( -6.600 3.866 1.352) 7.767 6.752 ( -0.280 6.941 0.015) 6.947 6.789 ( -3.349 -0.525 -2.740) 4.359 6.953 ( -0.067 -0.528 7.257) 7.277 6.997 ( -2.738 3.910 -1.170) 4.915 7.132 ( 1.409 -1.075 0.432) 1.824 7.274 ( 3.531 -3.091 -0.052) 4.693 7.361 ( -3.972 2.672 -2.173) 5.256 7.480 ( -1.041 -4.485 -2.490) 5.235 7.606 ( -1.201 2.358 6.077) 6.628 7.795 ( 2.163 -0.979 -2.373) 3.357 7.823 ( 2.407 -1.724 0.227) 2.970 8.181 ( -3.205 -3.469 0.856) 4.800 8.185 ( -0.421 4.138 -0.749) 4.226 8.314 ( 2.657 6.707 -5.508) 9.076 8.388 ( 2.601 2.559 -3.804) 5.271 8.616 ( 3.385 4.129 -3.801) 6.554 8.662 ( -0.597 8.935 -3.221) 9.516 8.997 ( 2.659 -0.236 4.721) 5.424 9.104 ( -2.094 -0.070 3.173) 3.802 9.291 ( 5.251 2.613 0.483) 5.885 9.424 ( 0.525 1.405 2.696) 3.085 9.538 ( 1.052 -4.387 2.095) 4.974 9.980 ( 3.525 -17.777 -1.887) 18.221 10.216 ( -1.063 -5.053 5.221) 7.343 10.276 ( -1.501 -14.345 0.080) 14.423 10.484 ( 0.835 -9.731 -0.003) 9.767 10.531 ( 5.930 -10.047 -1.717) 11.793 10.668 ( -3.910 -11.603 1.772) 12.372 10.776 ( -2.875 -3.238 5.827) 7.260 10.948 ( 0.612 4.860 0.473) 4.921 11.545 ( 3.179 -5.357 -9.006) 10.950 12.828 ( -2.604 4.188 5.821) 7.630 13.367 ( -1.571 -9.458 3.106) 10.078 13.570 ( 2.615 2.767 -7.546) 8.452 13.696 ( -2.202 14.818 1.629) 15.069 13.891 ( 3.259 -1.799 -5.395) 6.555 13.986 ( -3.459 13.263 -5.922) 14.931 14.239 ( -1.050 5.295 5.098) 7.425 14.557 ( 1.300 0.342 -3.611) 3.853 15.307 ( -1.652 -3.152 5.683) 6.705 15.477 ( -2.389 -5.341 9.574) 11.220 15.699 ( 0.358 6.716 -2.449) 7.157 16.179 ( 2.306 -4.300 -5.759) 7.547 16.466 ( 0.779 6.936 2.368) 7.371 16.898 ( 3.261 -2.022 -4.222) 5.705 17.029 ( -0.215 -7.485 -0.449) 7.502 17.093 ( 0.372 -7.311 -0.742) 7.357 24.493 ( -0.350 1.146 1.394) 1.838 24.597 ( 0.367 -0.519 -0.980) 1.168 24.672 ( 0.233 -0.614 -0.042) 0.658 24.699 ( 0.425 -0.302 -0.355) 0.631 25.592 ( -2.103 10.753 5.367) 12.201 25.759 ( -1.339 4.760 3.674) 6.160 25.970 ( -0.387 14.149 -5.945) 15.352 26.035 ( -0.349 8.124 -3.638) 8.908 26.972 ( -1.558 3.767 5.040) 6.483 27.249 ( -3.356 -2.882 7.367) 8.593 27.437 ( 2.886 6.365 -8.415) 10.939 27.522 ( -1.381 -0.592 0.423) 1.561 27.903 ( -1.151 -2.741 9.876) 10.314 28.172 ( -0.791 -5.256 2.957) 6.083 28.646 ( 0.865 -9.534 -4.936) 10.771 28.878 ( 6.487 -16.742 -11.518) 21.332 ======================= Grid point 48 (26/52) ======================= q-point: (-0.40 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( -10.838 5.939 0.003) 12.358 1.771 ( -9.821 13.515 14.044) 21.826 1.825 ( -1.049 1.345 4.282) 4.609 1.984 ( -8.378 8.916 -1.133) 12.287 2.234 ( 2.151 1.788 -0.739) 2.893 2.339 ( 3.830 11.091 2.695) 12.039 2.401 ( -0.815 11.337 6.605) 13.146 2.543 ( -5.111 7.081 -4.562) 9.853 2.627 ( -2.669 7.249 -1.816) 7.935 2.676 ( -0.069 1.275 1.454) 1.936 2.772 ( 8.659 1.856 1.540) 8.989 2.826 ( -0.604 -7.172 0.014) 7.197 3.044 ( -1.135 2.070 0.284) 2.378 3.169 ( 1.081 -3.163 -2.945) 4.455 3.231 ( -2.714 -3.595 1.755) 4.834 3.332 ( -2.424 -2.630 -3.293) 4.862 3.444 ( -3.687 6.191 2.443) 7.608 3.487 ( 0.154 -3.024 -5.319) 6.121 3.716 ( -2.446 1.810 2.566) 3.980 3.731 ( -10.329 -3.559 0.446) 10.934 3.824 ( -7.035 4.194 1.921) 8.413 3.913 ( -7.097 3.287 3.771) 8.683 4.000 ( -3.612 5.807 -3.732) 7.790 4.042 ( 2.736 0.956 -0.249) 2.908 4.098 ( 0.820 0.990 -6.762) 6.883 4.249 ( -0.731 -1.701 6.026) 6.304 4.375 ( -0.993 -0.330 4.154) 4.284 4.417 ( 0.763 2.105 6.923) 7.276 4.484 ( -4.679 0.873 -1.183) 4.904 4.591 ( 5.942 5.972 -2.257) 8.722 4.647 ( 2.027 4.542 -4.120) 6.458 4.666 ( -3.910 10.285 0.645) 11.022 4.734 ( -4.624 4.991 -3.425) 7.617 4.840 ( -0.856 3.120 5.796) 6.638 4.898 ( 5.367 -0.956 0.174) 5.455 4.946 ( 4.263 -5.617 6.916) 9.877 5.136 ( 8.094 1.157 0.523) 8.193 5.170 ( 6.971 1.825 1.230) 7.310 5.173 ( -2.885 -2.423 7.859) 8.715 5.247 ( 7.415 3.545 -1.277) 8.318 5.364 ( 3.853 0.946 -1.335) 4.186 5.412 ( -1.476 1.521 11.322) 11.519 5.530 ( 9.874 5.422 -3.342) 11.750 5.559 ( -5.328 -0.159 -0.447) 5.349 5.625 ( -0.353 -2.972 -3.672) 4.737 5.673 ( 2.946 -1.466 0.763) 3.378 5.809 ( 3.516 -0.210 0.593) 3.572 5.858 ( 3.547 2.407 5.277) 6.798 6.043 ( 3.792 -2.682 6.052) 7.629 6.079 ( 1.567 4.592 -6.371) 8.008 6.194 ( -4.902 -1.322 -0.116) 5.079 6.351 ( -3.636 2.163 -7.211) 8.361 6.393 ( 2.004 5.541 -8.584) 10.412 6.422 ( -1.699 -3.365 2.364) 4.449 6.552 ( 1.065 3.946 -3.714) 5.523 6.590 ( 2.161 3.440 -2.703) 4.879 6.659 ( 0.963 -1.069 -3.361) 3.656 6.733 ( 1.133 5.889 -2.881) 6.653 6.759 ( 0.669 -0.795 -4.083) 4.213 6.936 ( -1.874 6.021 2.073) 6.638 7.011 ( 1.572 -2.753 -0.613) 3.229 7.146 ( -0.272 -0.389 2.952) 2.990 7.329 ( 2.114 2.286 0.069) 3.114 7.377 ( 3.068 -3.386 0.732) 4.628 7.464 ( 0.219 -0.836 -2.047) 2.222 7.626 ( -0.804 0.496 5.998) 6.072 7.755 ( -2.076 -2.599 -3.637) 4.929 7.878 ( 1.912 3.219 -0.338) 3.759 8.117 ( -3.107 -3.034 2.103) 4.825 8.200 ( 1.386 2.578 0.086) 2.929 8.337 ( 2.720 6.784 -7.030) 10.141 8.423 ( 2.111 1.522 -2.200) 3.408 8.610 ( -1.125 8.435 -5.563) 10.167 8.643 ( 0.327 5.081 -1.791) 5.398 9.016 ( -1.395 1.155 3.579) 4.011 9.092 ( -2.654 0.687 3.673) 4.583 9.346 ( -1.334 -0.547 1.984) 2.452 9.453 ( -0.126 -0.383 3.741) 3.763 9.578 ( 0.775 -3.654 5.039) 6.272 9.910 ( -9.115 -13.768 -7.619) 18.184 10.161 ( -3.863 -4.304 4.389) 7.260 10.275 ( 0.449 -15.799 0.662) 15.820 10.478 ( -1.550 -8.456 -0.256) 8.601 10.536 ( -1.742 -12.560 -1.822) 12.811 10.673 ( -0.604 -14.580 2.565) 14.817 10.783 ( 0.752 -3.420 6.384) 7.281 10.967 ( 1.225 6.668 0.927) 6.842 11.536 ( 0.913 -5.477 -9.273) 10.808 12.818 ( -1.490 5.002 5.846) 7.837 13.357 ( -0.712 -8.488 2.196) 8.796 13.578 ( 1.893 2.255 -7.223) 7.800 13.681 ( -0.122 15.043 1.218) 15.093 13.877 ( 0.021 -3.039 -6.182) 6.888 13.997 ( 6.308 12.252 -4.335) 14.446 14.262 ( 0.942 6.387 4.655) 7.959 14.582 ( 2.668 0.351 -2.917) 3.969 15.307 ( -1.513 -2.949 6.089) 6.932 15.491 ( -2.014 -5.359 10.253) 11.743 15.683 ( -0.175 6.918 -3.281) 7.658 16.179 ( 0.942 -4.450 -5.877) 7.431 16.501 ( 0.355 5.916 4.246) 7.291 16.850 ( -4.783 -1.138 -7.404) 8.887 17.015 ( -0.589 -8.147 0.737) 8.202 17.102 ( 0.737 -6.656 -1.101) 6.787 24.495 ( -0.224 1.131 1.433) 1.840 24.598 ( 0.284 -0.523 -0.954) 1.124 24.674 ( -0.084 -0.640 0.062) 0.648 24.697 ( -0.336 -0.291 -0.450) 0.633 25.582 ( -1.582 10.455 4.603) 11.532 25.755 ( -1.010 4.613 3.496) 5.876 26.008 ( 4.889 11.807 -3.726) 13.312 26.068 ( 7.411 10.759 -4.185) 13.719 26.968 ( -1.545 3.649 4.823) 6.242 27.241 ( -1.458 -3.202 7.812) 8.568 27.449 ( 2.766 6.554 -7.927) 10.651 27.505 ( -0.146 0.345 0.042) 0.377 27.940 ( -1.903 -4.110 11.965) 12.794 28.166 ( -1.312 -5.265 2.586) 6.011 28.622 ( 0.216 -8.872 -6.063) 10.747 28.834 ( -3.961 -16.442 -13.126) 21.409 ======================= Grid point 49 (27/52) ======================= q-point: (-0.20 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -11.012 15.695 3.826) 19.551 1.598 ( -12.022 20.588 12.124) 26.747 1.806 ( -3.894 5.842 9.108) 11.500 1.891 ( -1.800 5.373 2.768) 6.307 2.127 ( -16.071 8.599 7.063) 19.547 2.278 ( 1.366 1.892 -0.352) 2.360 2.473 ( -1.075 4.521 -0.249) 4.653 2.522 ( 3.082 11.383 -1.667) 11.910 2.626 ( 1.294 0.243 -1.789) 2.222 2.741 ( 3.683 2.893 1.082) 4.806 2.779 ( -0.898 0.960 3.058) 3.329 2.909 ( 3.679 -8.620 1.241) 9.454 2.989 ( -7.749 -2.090 -0.797) 8.065 3.075 ( -1.740 -0.617 -4.499) 4.863 3.138 ( -2.099 6.153 1.803) 6.747 3.284 ( -1.610 -0.193 0.548) 1.712 3.381 ( -0.127 4.567 -12.999) 13.779 3.476 ( -7.182 -5.170 -0.242) 8.853 3.517 ( -0.975 0.952 -4.841) 5.029 3.633 ( -6.913 -6.827 -3.540) 10.341 3.693 ( -0.884 1.673 8.587) 8.793 3.881 ( 0.027 3.619 3.671) 5.155 3.973 ( -1.719 1.201 5.058) 5.475 4.093 ( 0.524 0.218 -1.420) 1.529 4.176 ( 3.771 4.222 6.664) 8.744 4.255 ( 1.502 2.245 -0.090) 2.702 4.311 ( -3.201 0.937 2.826) 4.372 4.355 ( -3.504 -2.139 -0.297) 4.116 4.457 ( -1.289 4.814 -4.574) 6.765 4.566 ( -4.854 11.067 6.072) 13.524 4.630 ( 0.772 6.591 -4.481) 8.007 4.713 ( 7.489 5.982 4.202) 10.466 4.786 ( -1.244 2.717 1.257) 3.242 4.821 ( -4.580 -3.537 3.165) 6.595 4.881 ( 0.369 -2.529 -7.296) 7.731 5.043 ( -6.601 -5.403 12.268) 14.942 5.121 ( 0.327 -1.705 3.132) 3.581 5.168 ( 0.116 0.603 -13.265) 13.280 5.270 ( -1.284 6.327 -3.916) 7.551 5.324 ( -1.430 3.391 -3.916) 5.374 5.334 ( 0.117 4.144 11.898) 12.599 5.461 ( -2.571 -13.668 -6.237) 15.242 5.544 ( 4.432 -4.461 4.389) 7.668 5.574 ( -0.060 4.019 4.206) 5.818 5.693 ( 4.055 10.039 -1.133) 10.886 5.767 ( 3.656 2.417 3.833) 5.822 5.910 ( 7.336 1.881 -5.766) 9.519 6.008 ( 5.849 3.037 -4.266) 7.850 6.074 ( 1.956 -1.256 -1.843) 2.966 6.180 ( 4.166 0.065 -2.722) 4.977 6.266 ( 11.192 -0.149 4.450) 12.046 6.309 ( 2.065 0.043 -0.602) 2.151 6.365 ( 0.134 7.139 -3.136) 7.798 6.491 ( 2.519 -3.131 6.619) 7.743 6.592 ( 1.776 7.610 -1.319) 7.925 6.632 ( 1.732 0.812 0.333) 1.941 6.679 ( 1.324 -0.027 -0.453) 1.400 6.758 ( 0.681 2.976 2.966) 4.256 6.793 ( 4.264 1.555 -4.576) 6.445 6.972 ( 5.744 2.640 -1.705) 6.547 7.052 ( 5.884 1.042 -2.258) 6.388 7.212 ( 5.421 -0.486 1.324) 5.602 7.344 ( -0.750 1.956 -0.231) 2.108 7.410 ( -0.090 -3.653 2.388) 4.365 7.456 ( -0.073 0.548 -3.153) 3.201 7.591 ( -4.701 4.826 0.559) 6.760 7.746 ( 1.087 -9.726 5.613) 11.282 7.890 ( -1.421 5.030 1.560) 5.455 8.106 ( 1.051 -3.345 1.656) 3.878 8.220 ( 1.714 3.442 -3.737) 5.362 8.344 ( 2.221 7.516 -7.914) 11.138 8.433 ( 0.056 1.801 -2.809) 3.337 8.573 ( -0.493 8.506 -1.846) 8.718 8.616 ( -0.984 5.164 -3.216) 6.163 8.997 ( -2.412 1.916 2.600) 4.031 9.051 ( -1.189 0.523 3.238) 3.489 9.259 ( -8.805 1.788 -1.486) 9.106 9.420 ( -6.205 -8.033 0.742) 10.178 9.583 ( -4.328 -4.000 2.986) 6.607 9.610 ( -8.278 -0.709 -2.437) 8.658 10.142 ( -1.056 -6.920 4.993) 8.598 10.289 ( 0.049 -16.758 1.637) 16.838 10.438 ( -2.010 -11.589 0.663) 11.780 10.516 ( 0.200 -11.845 -1.809) 11.984 10.641 ( -2.065 -13.161 3.077) 13.673 10.821 ( -1.811 -5.672 7.858) 9.859 11.014 ( 2.469 5.412 -0.912) 6.018 11.480 ( -0.505 -4.801 -9.026) 10.236 12.831 ( -0.762 5.159 6.069) 8.002 13.358 ( -0.298 -7.934 1.505) 8.081 13.559 ( 0.823 1.833 -7.691) 7.949 13.700 ( 0.950 16.543 2.780) 16.802 13.868 ( 2.034 -7.036 -6.656) 9.897 14.113 ( 4.910 7.725 -0.579) 9.171 14.351 ( 6.481 8.640 -2.252) 11.033 14.616 ( 2.069 0.876 -3.909) 4.509 15.320 ( -1.102 -3.714 7.613) 8.542 15.500 ( -3.102 -5.908 10.589) 12.516 15.670 ( 1.323 6.326 -4.013) 7.607 16.155 ( 0.238 -5.300 -6.236) 8.187 16.513 ( -1.589 5.680 3.829) 7.032 16.657 ( -7.836 4.185 -6.167) 10.814 17.008 ( -0.631 -8.139 1.028) 8.228 17.110 ( 0.784 -5.781 -1.611) 6.052 24.498 ( -0.262 0.943 1.261) 1.596 24.597 ( 0.183 -0.784 -0.936) 1.235 24.671 ( -0.169 -0.530 -0.076) 0.561 24.684 ( -0.567 -0.219 -0.418) 0.738 25.583 ( -0.883 10.498 4.701) 11.536 25.757 ( -0.742 4.644 3.608) 5.927 26.062 ( 2.624 9.841 -3.096) 10.645 26.297 ( 16.067 11.083 -13.760) 23.881 26.964 ( -1.380 3.666 4.513) 5.976 27.289 ( 1.159 -5.849 9.562) 11.269 27.459 ( 2.373 5.757 -6.625) 9.092 27.528 ( 1.887 -0.209 3.092) 3.628 27.947 ( -4.089 -4.429 11.460) 12.948 28.154 ( -1.138 -5.144 2.905) 6.016 28.570 ( -12.078 -10.230 -9.837) 18.636 28.607 ( 0.608 -9.542 -6.783) 11.723 ======================= Grid point 50 (28/52) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 4.493 13.529 7.518) 16.117 1.794 ( 0.441 2.959 5.611) 6.359 1.913 ( -3.427 3.464 11.814) 12.780 1.973 ( 2.654 -1.894 8.398) 9.009 2.145 ( -5.916 10.811 5.090) 13.334 2.372 ( -0.903 6.893 -0.895) 7.009 2.418 ( -3.100 -9.285 1.116) 9.852 2.531 ( 0.876 2.310 -6.309) 6.775 2.631 ( 1.903 -3.549 4.167) 5.795 2.706 ( 1.132 -2.647 1.004) 3.049 2.839 ( 3.556 -2.490 -0.742) 4.404 2.876 ( 5.782 0.295 -0.157) 5.791 2.984 ( -5.435 3.252 -3.638) 7.304 3.061 ( -2.801 -1.592 -6.818) 7.541 3.164 ( 5.932 6.223 -1.597) 8.745 3.222 ( -1.362 -1.626 -1.781) 2.770 3.330 ( 4.043 -1.775 -5.753) 7.252 3.358 ( -1.419 -2.222 -5.994) 6.548 3.510 ( -0.098 3.631 7.465) 8.302 3.632 ( 0.299 -0.139 3.374) 3.390 3.755 ( -0.334 3.674 6.301) 7.301 3.862 ( -7.882 -2.187 3.680) 8.969 3.989 ( 0.995 5.161 0.844) 5.323 4.112 ( 0.809 -2.077 -1.776) 2.850 4.236 ( 1.661 1.866 -6.993) 7.425 4.282 ( -0.014 -0.269 -5.322) 5.329 4.387 ( 4.351 2.175 1.630) 5.130 4.423 ( -2.974 0.275 1.460) 3.325 4.475 ( -2.318 1.014 -3.962) 4.701 4.566 ( -5.179 -1.269 -12.256) 13.366 4.645 ( -1.617 4.166 1.682) 4.775 4.712 ( -2.061 1.867 6.343) 6.926 4.742 ( -1.125 0.311 1.354) 1.788 4.802 ( 0.067 -1.513 -5.436) 5.643 4.819 ( 0.003 -3.154 5.201) 6.083 4.929 ( -4.272 -8.399 5.319) 10.821 5.119 ( 4.778 4.180 -1.150) 6.452 5.142 ( 0.206 2.835 2.354) 3.691 5.199 ( 0.974 -3.352 1.302) 3.725 5.228 ( -0.071 -3.424 0.542) 3.467 5.472 ( -6.320 7.982 11.419) 15.298 5.546 ( 2.700 5.276 6.942) 9.128 5.630 ( 0.319 -1.520 4.960) 5.197 5.639 ( 4.058 2.380 8.823) 9.999 5.764 ( -5.647 -5.738 5.847) 9.950 5.854 ( 1.987 -6.383 -0.354) 6.695 5.990 ( 0.118 6.372 -7.007) 9.472 6.026 ( 1.570 1.940 -8.032) 8.411 6.173 ( -0.914 3.055 -4.770) 5.737 6.236 ( -1.949 -2.624 -8.093) 8.728 6.279 ( 2.728 1.028 1.263) 3.177 6.337 ( 0.416 -1.626 -0.377) 1.720 6.561 ( 0.552 6.455 1.029) 6.559 6.618 ( -2.244 5.811 -1.558) 6.421 6.694 ( 0.553 -1.128 -0.511) 1.356 6.765 ( -3.106 -0.287 -0.508) 3.160 6.790 ( 6.769 4.589 -0.997) 8.238 6.855 ( 14.487 1.096 1.700) 14.627 6.942 ( 0.015 6.983 -0.049) 6.983 7.008 ( -4.042 8.614 -1.184) 9.589 7.187 ( 0.320 -5.606 1.399) 5.786 7.208 ( -3.308 -11.930 2.349) 12.601 7.261 ( -3.150 -0.716 -1.953) 3.774 7.314 ( -8.864 -3.297 -0.056) 9.458 7.364 ( -1.356 4.304 2.991) 5.414 7.531 ( 2.506 -7.190 5.414) 9.343 7.727 ( 4.116 3.867 -5.798) 8.093 7.832 ( 1.430 -5.190 -8.942) 10.438 8.161 ( -0.070 4.996 4.040) 6.425 8.258 ( -0.456 -2.417 3.898) 4.609 8.511 ( -1.988 5.163 -3.646) 6.626 8.536 ( -0.452 3.916 -3.555) 5.308 8.765 ( -1.919 11.230 -3.405) 11.891 8.808 ( 4.385 9.052 -3.538) 10.662 8.947 ( 2.316 -0.651 -3.471) 4.224 9.000 ( -1.359 -5.740 -1.116) 6.004 9.242 ( 2.075 8.247 2.394) 8.835 9.326 ( -0.500 1.767 0.823) 2.013 9.582 ( -1.421 8.132 -1.039) 8.320 9.612 ( 1.336 4.747 -1.150) 5.063 9.896 ( 0.043 -11.375 2.348) 11.615 9.942 ( 1.223 -14.975 1.664) 15.117 10.117 ( -0.526 -13.909 0.330) 13.922 10.140 ( 1.022 -16.305 -0.618) 16.348 10.549 ( -3.255 3.099 9.645) 10.641 10.673 ( -3.359 -7.054 8.875) 11.824 11.172 ( 1.493 7.980 -5.857) 10.011 11.335 ( 2.605 -6.947 -7.236) 10.364 12.982 ( -1.758 7.775 5.845) 9.885 13.168 ( -1.510 -9.403 4.919) 10.719 13.604 ( 2.785 3.696 -9.111) 10.219 13.702 ( 2.441 -5.742 -7.740) 9.941 14.084 ( 0.254 11.208 4.070) 11.927 14.214 ( -0.033 -1.374 3.615) 3.867 14.523 ( -0.733 4.836 -5.982) 7.727 14.598 ( -0.102 -2.201 -4.508) 5.018 15.280 ( -2.962 0.610 8.938) 9.435 15.357 ( -3.404 -5.884 9.980) 12.075 15.827 ( 2.225 7.724 -5.482) 9.730 15.994 ( 2.308 -7.512 -6.110) 9.954 16.644 ( -1.205 8.235 1.584) 8.472 16.773 ( 1.701 8.976 -1.525) 9.263 16.827 ( -0.256 -8.419 1.454) 8.547 16.963 ( 0.778 -8.214 -1.922) 8.471 24.529 ( -0.328 1.911 0.774) 2.087 24.569 ( -0.084 -1.643 0.050) 1.646 24.662 ( 0.124 0.121 -0.600) 0.625 24.670 ( 0.214 -0.451 -0.569) 0.757 25.778 ( -1.063 5.651 6.113) 8.393 25.828 ( -1.041 0.751 5.243) 5.398 26.289 ( 0.419 9.297 -6.347) 11.265 26.436 ( 0.327 -3.407 -12.297) 12.765 27.063 ( -1.044 5.136 5.318) 7.466 27.185 ( -1.451 -6.473 7.052) 9.681 27.551 ( 0.949 2.179 -7.033) 7.424 27.556 ( 0.544 0.641 -2.560) 2.694 27.895 ( -2.778 2.786 8.964) 9.789 28.021 ( -0.957 -7.307 4.597) 8.685 28.372 ( 3.276 0.327 -4.202) 5.338 28.435 ( 2.431 -5.992 -4.403) 7.823 ======================= Grid point 51 (29/52) ======================= q-point: ( 0.20 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -1.416 5.881 6.166) 8.637 1.795 ( -3.806 -1.648 6.276) 7.522 2.007 ( -1.566 5.782 6.164) 8.595 2.097 ( 1.778 1.009 7.013) 7.305 2.194 ( 11.603 8.969 0.990) 14.699 2.389 ( 2.497 4.542 2.422) 5.721 2.472 ( 2.638 -5.593 -3.069) 6.904 2.562 ( 10.535 -4.942 -1.500) 11.733 2.666 ( 1.228 4.795 1.676) 5.225 2.794 ( 0.414 -3.758 2.580) 4.577 2.862 ( -1.181 6.763 -3.080) 7.524 2.940 ( 2.109 1.626 1.738) 3.180 2.981 ( 4.837 0.249 -0.294) 4.852 3.072 ( -4.355 9.751 1.218) 10.748 3.091 ( 7.941 -5.842 -2.334) 10.131 3.276 ( -2.251 -3.689 -0.543) 4.355 3.361 ( 1.344 8.790 -6.130) 10.800 3.415 ( 8.288 0.788 1.540) 8.467 3.567 ( 5.014 -1.468 1.299) 5.384 3.688 ( -1.022 -8.122 5.371) 9.791 3.772 ( 5.882 1.358 -0.779) 6.087 3.809 ( 2.030 -2.569 -0.962) 3.412 4.011 ( 0.079 5.951 2.085) 6.306 4.087 ( -0.528 1.252 -1.446) 1.984 4.194 ( -1.149 1.647 -4.379) 4.817 4.238 ( 0.130 -4.198 -7.340) 8.456 4.352 ( 1.575 3.514 -2.517) 4.601 4.398 ( -2.796 0.023 -8.064) 8.535 4.488 ( 3.039 3.302 2.198) 4.997 4.557 ( 5.770 -2.911 -0.870) 6.521 4.631 ( 0.888 3.579 -5.629) 6.730 4.723 ( -2.288 -3.527 1.052) 4.333 4.752 ( -0.437 4.229 10.269) 11.114 4.767 ( 2.613 0.109 1.668) 3.101 4.853 ( -1.033 -6.392 -0.612) 6.504 4.904 ( -4.645 -3.833 11.915) 13.351 5.131 ( 1.571 4.778 0.051) 5.030 5.210 ( -1.163 0.550 2.497) 2.809 5.219 ( 3.999 0.798 1.534) 4.357 5.302 ( 2.540 -2.040 3.112) 4.505 5.397 ( -7.920 5.955 12.781) 16.172 5.545 ( -6.804 0.748 1.241) 6.957 5.616 ( -6.321 -0.838 2.028) 6.691 5.630 ( -5.970 -4.887 5.479) 9.462 5.769 ( 2.342 6.295 -2.561) 7.188 5.878 ( -6.831 0.121 -3.508) 7.680 5.908 ( -2.921 3.986 -0.681) 4.989 5.931 ( -2.891 1.268 -6.580) 7.298 6.053 ( -9.329 -1.802 -9.822) 13.666 6.125 ( -0.142 -6.311 -0.602) 6.342 6.292 ( -1.367 4.819 3.838) 6.311 6.360 ( -1.373 -0.321 4.328) 4.552 6.476 ( -2.097 7.360 -3.575) 8.447 6.568 ( -5.574 -0.873 0.758) 5.692 6.687 ( 2.936 0.107 -0.149) 2.942 6.732 ( 0.636 -3.301 1.619) 3.731 6.802 ( -5.893 5.050 -7.455) 10.761 6.841 ( -9.066 3.422 -4.467) 10.670 6.921 ( 2.723 9.634 1.383) 10.107 7.024 ( -0.722 4.286 2.596) 5.063 7.112 ( -1.690 1.574 0.765) 2.433 7.185 ( -0.298 -3.602 -2.611) 4.459 7.260 ( -0.176 -3.133 -1.245) 3.376 7.299 ( -2.176 -4.642 7.297) 8.918 7.335 ( 4.001 -5.861 3.650) 7.980 7.523 ( -4.030 -7.961 -0.357) 8.930 7.800 ( 4.532 3.801 -3.655) 6.954 7.828 ( 1.922 2.847 -3.643) 5.007 8.162 ( -0.966 1.082 -1.004) 1.764 8.239 ( -3.327 -3.324 2.239) 5.208 8.452 ( -0.119 5.031 -2.326) 5.544 8.483 ( -0.800 2.521 -3.802) 4.631 8.755 ( 1.660 11.463 -1.500) 11.680 8.890 ( 3.849 8.591 -4.099) 10.268 8.961 ( 0.181 2.406 -0.235) 2.425 9.067 ( 6.041 -0.932 -1.341) 6.258 9.331 ( 1.880 2.655 -0.076) 3.254 9.380 ( 6.454 -0.536 -0.099) 6.477 9.556 ( 0.169 10.226 -1.335) 10.314 9.652 ( 2.479 -0.179 0.192) 2.492 9.908 ( 0.450 -12.557 2.086) 12.737 9.972 ( -0.154 -15.703 0.442) 15.710 10.168 ( 5.802 -11.030 0.060) 12.463 10.201 ( 4.327 -13.776 -0.565) 14.451 10.532 ( -3.606 2.594 9.893) 10.845 10.654 ( -3.122 -7.156 8.699) 11.689 11.166 ( 1.163 9.798 -5.558) 11.325 11.362 ( 3.542 -8.221 -6.945) 11.330 12.972 ( -2.288 7.648 5.736) 9.830 13.161 ( -1.880 -9.749 4.957) 11.097 13.618 ( 3.542 3.553 -9.064) 10.360 13.709 ( 2.468 -5.083 -7.535) 9.418 14.097 ( -1.509 10.788 4.084) 11.634 14.219 ( -1.834 -0.953 3.550) 4.108 14.429 ( -3.673 7.576 -5.148) 9.869 14.547 ( -1.686 -3.438 -4.472) 5.888 15.274 ( -2.387 0.708 8.382) 8.744 15.348 ( -2.812 -5.691 9.677) 11.573 15.855 ( 3.105 8.345 -5.160) 10.291 16.027 ( 3.715 -7.369 -5.890) 10.139 16.633 ( -0.567 8.993 1.208) 9.092 16.811 ( 1.102 -2.822 0.088) 3.031 16.854 ( 3.039 -1.161 -0.081) 3.255 16.968 ( 0.640 -6.620 -2.078) 6.968 24.528 ( -0.206 2.030 0.824) 2.201 24.570 ( 0.142 -1.697 0.069) 1.705 24.665 ( 0.424 0.343 -0.585) 0.800 24.677 ( 0.683 -0.640 -0.550) 1.086 25.784 ( -1.954 5.573 6.515) 8.794 25.832 ( -1.664 0.896 5.434) 5.753 26.224 ( -2.371 6.884 -5.995) 9.431 26.299 ( -5.323 0.757 -9.901) 11.266 27.069 ( -1.504 5.062 5.564) 7.671 27.182 ( -2.501 -5.441 6.763) 9.033 27.535 ( 1.755 2.308 -7.133) 7.700 27.544 ( 0.316 0.631 -3.638) 3.705 27.893 ( -2.168 3.727 8.040) 9.124 28.030 ( -0.713 -7.416 4.094) 8.501 28.469 ( 4.978 -3.315 -4.504) 7.487 28.499 ( 7.155 -5.840 -4.608) 10.322 ======================= Grid point 52 (30/52) ======================= q-point: ( 0.40 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -1.361 2.782 2.358) 3.893 1.772 ( -0.395 -2.827 1.439) 3.197 2.003 ( -1.688 5.758 5.340) 8.033 2.083 ( -2.662 -2.235 4.594) 5.761 2.355 ( 1.605 4.663 1.464) 5.144 2.460 ( 1.752 -2.911 1.126) 3.579 2.616 ( 11.231 10.104 1.906) 15.227 2.652 ( -0.451 3.226 0.168) 3.261 2.706 ( -2.698 0.771 -2.029) 3.463 2.733 ( -8.602 8.400 -0.689) 12.042 2.847 ( 4.259 -2.299 -0.438) 4.860 2.874 ( -5.546 -3.833 -1.610) 6.931 3.065 ( 5.523 4.980 -2.373) 7.806 3.087 ( 4.238 -1.585 -2.427) 5.134 3.153 ( -3.821 2.606 -1.855) 4.983 3.257 ( 2.622 -2.114 -3.144) 4.607 3.417 ( 3.902 8.198 3.177) 9.619 3.567 ( 1.102 -3.619 10.484) 11.146 3.716 ( 5.848 0.937 3.381) 6.820 3.802 ( 2.156 -1.645 4.608) 5.346 3.849 ( 4.289 -3.270 -4.673) 7.136 3.911 ( 5.636 -5.688 -1.428) 8.134 4.054 ( 5.181 7.548 -0.572) 9.173 4.147 ( -0.080 1.442 -6.425) 6.585 4.159 ( 0.514 -1.357 0.054) 1.452 4.170 ( -0.523 -1.423 -11.675) 11.773 4.397 ( 11.476 -0.714 -3.834) 12.121 4.416 ( 3.282 -2.096 -1.674) 4.239 4.507 ( 0.739 4.828 0.982) 4.982 4.627 ( -2.377 1.073 3.870) 4.667 4.649 ( -1.448 -2.201 -1.781) 3.180 4.715 ( -1.367 -4.467 8.335) 9.555 4.765 ( -1.692 5.635 4.378) 7.334 4.827 ( -0.165 1.582 9.591) 9.722 4.847 ( 1.912 0.346 -2.726) 3.347 4.892 ( -0.184 -1.143 5.344) 5.468 5.154 ( 0.321 2.542 1.688) 3.068 5.193 ( -7.074 3.882 8.154) 11.472 5.227 ( -3.350 -3.207 -3.796) 5.993 5.278 ( -5.696 3.948 -0.563) 6.953 5.320 ( -3.599 -1.387 6.784) 7.804 5.395 ( -2.009 4.283 3.791) 6.062 5.424 ( -3.928 -0.980 1.375) 4.275 5.551 ( 1.884 -2.671 -1.703) 3.686 5.716 ( -7.438 3.779 2.933) 8.843 5.745 ( -3.190 1.466 1.312) 3.747 5.795 ( -3.549 -0.799 -3.778) 5.245 5.829 ( -7.295 -6.883 9.653) 13.920 5.965 ( 3.275 8.814 -3.568) 10.056 6.144 ( 0.738 -6.864 -1.819) 7.139 6.267 ( -3.406 5.431 2.309) 6.813 6.343 ( 1.251 -1.182 0.196) 1.732 6.489 ( 1.689 4.036 -3.364) 5.519 6.520 ( 1.226 1.856 -3.067) 3.789 6.637 ( -2.733 1.408 -7.575) 8.175 6.683 ( -4.012 -1.892 -5.668) 7.197 6.743 ( 2.212 0.229 -6.431) 6.804 6.755 ( -0.957 -0.955 -4.607) 4.801 6.949 ( -4.252 7.164 -4.282) 9.367 7.006 ( -6.705 3.191 -2.559) 7.854 7.073 ( 4.053 2.605 3.373) 5.881 7.122 ( -0.014 1.450 4.059) 4.310 7.258 ( 0.824 0.508 2.911) 3.068 7.304 ( -1.579 -9.091 6.754) 11.435 7.341 ( -2.162 -0.409 -0.649) 2.295 7.503 ( 0.498 -9.073 1.648) 9.235 7.843 ( 2.020 3.916 -5.949) 7.403 7.875 ( 3.782 2.837 -4.044) 6.221 8.122 ( -2.363 0.241 1.391) 2.753 8.191 ( -1.883 -3.511 3.468) 5.282 8.473 ( 2.416 4.997 -2.168) 5.959 8.481 ( 1.951 4.132 -3.058) 5.498 8.797 ( 2.121 9.813 1.303) 10.124 8.915 ( 0.968 9.812 -4.498) 10.837 8.981 ( 1.163 1.512 2.445) 3.101 9.134 ( 1.095 -0.744 -0.630) 1.466 9.371 ( 1.924 3.338 -1.603) 4.173 9.458 ( 1.649 -1.955 -0.905) 2.713 9.568 ( 1.063 9.056 -1.686) 9.273 9.691 ( 0.922 -3.828 0.542) 3.974 9.928 ( -0.532 -14.795 -0.451) 14.812 9.971 ( 0.903 -15.470 2.120) 15.641 10.265 ( 1.943 -9.666 -1.726) 10.009 10.284 ( 3.265 -10.536 -2.277) 11.263 10.521 ( -2.856 2.921 10.004) 10.806 10.649 ( -2.392 -7.204 9.037) 11.802 11.160 ( 1.259 11.428 -4.611) 12.388 11.386 ( 2.502 -9.347 -7.022) 11.956 12.960 ( -1.983 7.910 5.890) 10.059 13.153 ( -1.610 -9.836 5.046) 11.171 13.634 ( 2.960 3.162 -9.426) 10.374 13.713 ( 2.038 -4.353 -7.646) 9.031 14.077 ( -1.898 10.486 2.544) 10.956 14.179 ( -2.516 1.690 1.346) 3.316 14.368 ( -0.195 7.453 -1.137) 7.542 14.509 ( 0.415 -4.756 -2.680) 5.475 15.278 ( -1.998 1.006 8.338) 8.633 15.353 ( -2.269 -5.495 10.051) 11.678 15.879 ( 1.935 9.188 -5.595) 10.930 16.059 ( 2.436 -7.163 -6.189) 9.774 16.637 ( 0.080 8.829 1.805) 9.012 16.825 ( 0.076 -7.725 1.351) 7.843 16.907 ( 1.730 -0.289 -3.203) 3.652 16.963 ( 0.236 -4.638 -1.769) 4.969 24.530 ( -0.146 2.164 0.975) 2.378 24.574 ( 0.134 -1.734 0.150) 1.746 24.670 ( 0.354 0.520 -0.516) 0.813 24.687 ( 0.442 -0.798 -0.590) 1.086 25.774 ( -2.354 5.614 5.853) 8.445 25.824 ( -1.919 0.769 4.967) 5.380 26.167 ( 0.604 4.537 -4.344) 6.311 26.177 ( -1.191 3.858 -5.562) 6.873 27.065 ( -1.862 4.810 5.436) 7.494 27.168 ( -2.381 -4.539 5.986) 7.881 27.535 ( 0.702 1.491 -2.856) 3.298 27.543 ( 3.080 2.150 -8.388) 9.190 27.898 ( -2.105 3.475 8.650) 9.556 28.035 ( -1.042 -7.537 3.586) 8.412 28.512 ( 2.102 -1.611 -5.216) 5.849 28.595 ( 3.980 -9.068 -7.134) 12.205 ======================= Grid point 53 (31/52) ======================= q-point: (-0.40 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -3.943 5.316 0.348) 6.628 1.778 ( -0.147 -5.078 0.481) 5.103 1.986 ( -2.822 6.647 6.670) 9.830 2.078 ( -3.281 -1.280 6.207) 7.136 2.348 ( -0.259 9.623 1.100) 9.689 2.484 ( -2.542 2.709 4.399) 5.758 2.553 ( -3.388 -1.365 -1.878) 4.107 2.604 ( -4.451 0.731 -2.824) 5.322 2.669 ( -0.593 -0.176 -1.696) 1.806 2.712 ( -1.165 -2.743 0.316) 2.997 2.854 ( 5.853 6.939 -2.706) 9.473 2.889 ( -0.366 8.984 -4.997) 10.287 3.051 ( -5.070 -0.094 -2.826) 5.805 3.090 ( -5.945 -4.257 1.210) 7.412 3.201 ( 4.368 0.393 0.244) 4.392 3.302 ( 2.102 -4.812 3.204) 6.151 3.403 ( -7.062 4.634 0.343) 8.454 3.548 ( -5.067 -1.542 1.029) 5.396 3.666 ( -9.178 0.721 1.933) 9.407 3.787 ( -4.420 -5.260 3.953) 7.926 3.818 ( 0.521 5.663 -1.766) 5.955 3.933 ( 0.242 -3.143 2.748) 4.182 4.067 ( -3.346 4.043 -7.007) 8.755 4.117 ( 4.288 0.747 -3.500) 5.585 4.193 ( 7.232 2.633 -4.177) 8.757 4.263 ( -11.884 7.067 -0.680) 13.843 4.328 ( 1.834 -3.536 -0.775) 4.058 4.423 ( -9.271 -3.539 -3.853) 10.645 4.498 ( -0.754 3.663 2.933) 4.753 4.606 ( 6.667 -4.156 -3.569) 8.629 4.721 ( 1.676 -1.129 6.608) 6.910 4.743 ( 2.061 1.083 8.437) 8.752 4.808 ( 1.968 3.525 2.504) 4.751 4.849 ( 0.707 1.558 4.963) 5.250 4.881 ( -3.722 -0.798 1.412) 4.060 4.946 ( -0.526 2.148 4.889) 5.366 5.093 ( -0.459 -7.994 -3.908) 8.910 5.116 ( -0.620 -3.715 3.097) 4.876 5.254 ( 3.311 7.001 0.972) 7.805 5.290 ( 2.919 4.990 6.365) 8.598 5.348 ( 2.180 -2.286 3.514) 4.725 5.400 ( 1.094 -1.864 1.737) 2.773 5.531 ( -4.706 3.200 4.049) 6.985 5.655 ( -5.996 -5.138 6.065) 9.957 5.681 ( 10.183 4.840 -1.401) 11.362 5.694 ( 13.824 4.645 2.600) 14.814 5.801 ( 7.573 1.352 2.273) 8.021 5.884 ( 5.322 -4.443 6.450) 9.470 6.017 ( 3.086 5.019 0.399) 5.905 6.114 ( -4.004 -2.653 -0.120) 4.805 6.226 ( -0.051 4.851 -5.849) 7.599 6.333 ( -3.154 -4.652 -4.516) 7.210 6.408 ( -3.421 3.711 -4.147) 6.532 6.482 ( -2.155 -0.464 -1.643) 2.749 6.592 ( 1.411 0.363 -4.501) 4.731 6.614 ( 2.849 -0.321 -3.344) 4.405 6.697 ( 2.668 5.160 -6.355) 8.610 6.765 ( 5.505 0.553 -10.785) 12.121 6.886 ( 2.257 4.189 -6.369) 7.950 6.935 ( 0.788 -2.653 -2.040) 3.438 7.114 ( -3.398 4.047 3.362) 6.263 7.166 ( 0.783 6.597 -0.501) 6.662 7.311 ( -0.041 -5.062 8.195) 9.633 7.328 ( 1.245 -1.807 4.767) 5.248 7.336 ( 0.669 -1.439 1.837) 2.428 7.512 ( -0.499 -10.348 2.935) 10.768 7.816 ( -0.432 4.799 -7.828) 9.192 7.897 ( 1.999 -1.691 -9.370) 9.729 8.105 ( -1.567 3.807 7.600) 8.643 8.204 ( 0.134 -3.433 5.224) 6.252 8.502 ( 2.027 5.240 -3.853) 6.812 8.508 ( 2.562 4.709 -4.184) 6.801 8.836 ( -0.552 10.059 3.589) 10.694 8.886 ( -0.040 13.807 -5.744) 14.954 9.018 ( -0.303 -0.853 4.846) 4.929 9.116 ( -2.044 -1.207 -2.088) 3.161 9.377 ( -0.652 2.437 -1.295) 2.836 9.449 ( -2.029 -0.222 -1.913) 2.797 9.576 ( 0.813 1.828 0.033) 2.001 9.675 ( -2.666 -3.808 -1.840) 4.999 9.924 ( 0.059 -12.233 1.909) 12.381 9.976 ( -2.274 -11.897 0.577) 12.126 10.242 ( -4.343 -10.708 -2.613) 11.847 10.245 ( -2.459 -11.573 -2.447) 12.081 10.532 ( -2.024 3.216 10.078) 10.771 10.661 ( -1.562 -7.014 9.280) 11.736 11.167 ( 1.728 10.486 -4.470) 11.529 11.380 ( 0.909 -8.998 -7.346) 11.651 12.962 ( -1.221 8.180 6.086) 10.269 13.155 ( -1.023 -9.625 5.093) 10.938 13.629 ( 1.965 2.784 -9.617) 10.203 13.705 ( 1.747 -4.455 -7.914) 9.248 14.055 ( -1.210 11.009 1.679) 11.202 14.167 ( 0.416 1.149 1.239) 1.740 14.403 ( 3.883 7.126 -0.373) 8.124 14.535 ( 3.129 -4.533 -1.924) 5.835 15.284 ( -2.242 1.305 8.750) 9.126 15.365 ( -2.516 -5.692 10.581) 12.275 15.866 ( 0.261 9.366 -6.173) 11.220 16.051 ( 0.481 -7.529 -6.581) 10.012 16.651 ( -0.102 7.943 2.614) 8.362 16.831 ( -0.352 -8.419 1.609) 8.579 16.870 ( -2.437 2.661 -4.327) 5.633 16.967 ( 0.656 -5.795 -1.985) 6.161 24.532 ( -0.236 2.141 1.022) 2.384 24.576 ( -0.103 -1.704 0.175) 1.716 24.671 ( -0.022 0.433 -0.476) 0.644 24.686 ( -0.179 -0.744 -0.642) 0.999 25.762 ( -1.744 5.711 5.051) 7.821 25.816 ( -1.426 0.530 4.490) 4.740 26.187 ( 4.061 5.575 -3.547) 7.756 26.226 ( 7.509 2.589 -4.250) 9.008 27.058 ( -1.710 4.644 5.159) 7.149 27.158 ( -1.757 -4.480 5.773) 7.516 27.538 ( 1.124 2.405 -2.702) 3.788 27.559 ( 2.986 2.075 -8.275) 9.038 27.904 ( -2.559 2.323 9.858) 10.447 28.029 ( -1.437 -7.374 3.583) 8.323 28.494 ( -0.509 -1.775 -5.904) 6.186 28.566 ( -2.382 -8.274 -8.181) 11.877 ======================= Grid point 54 (32/52) ======================= q-point: (-0.20 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( -2.131 11.097 2.227) 11.517 1.780 ( 0.545 -6.182 0.705) 6.245 1.939 ( -7.558 9.186 10.917) 16.146 2.008 ( -4.545 2.784 6.067) 8.076 2.316 ( -13.988 10.432 7.445) 18.972 2.394 ( 0.813 8.346 1.136) 8.462 2.515 ( -2.474 -2.392 -1.243) 3.659 2.568 ( 0.999 -6.478 -0.420) 6.568 2.610 ( -7.376 -0.905 -0.311) 7.438 2.708 ( 1.502 -4.595 -0.107) 4.836 2.794 ( -2.650 -0.782 -2.522) 3.741 2.802 ( 0.242 -2.049 -1.913) 2.813 3.016 ( 1.564 7.346 0.661) 7.539 3.066 ( 5.177 1.421 -3.664) 6.500 3.182 ( -4.791 -3.302 -2.866) 6.487 3.290 ( -1.565 -8.301 -4.918) 9.775 3.337 ( -0.611 5.516 -2.447) 6.065 3.464 ( -1.657 -4.306 -3.772) 5.959 3.558 ( -11.567 5.561 3.750) 13.371 3.676 ( -6.769 -2.310 3.689) 8.048 3.714 ( -0.191 11.726 -0.119) 11.728 3.930 ( -1.125 -6.004 6.394) 8.843 4.009 ( -3.286 7.646 1.325) 8.427 4.136 ( -0.988 0.356 -1.923) 2.191 4.237 ( 5.624 -0.804 1.086) 5.784 4.255 ( -0.759 -2.076 -9.428) 9.684 4.302 ( 4.174 2.814 -0.248) 5.040 4.350 ( 2.070 0.391 3.923) 4.453 4.552 ( 0.586 5.079 -1.968) 5.478 4.663 ( 0.797 -3.184 -1.174) 3.486 4.693 ( -3.758 0.990 8.533) 9.376 4.744 ( -8.719 -2.775 5.521) 10.687 4.795 ( -0.160 0.650 2.753) 2.833 4.852 ( -1.650 1.074 0.929) 2.177 4.902 ( -0.076 -1.711 2.079) 2.694 4.924 ( -4.007 1.798 -5.707) 7.201 5.038 ( 2.724 -1.719 -1.153) 3.421 5.144 ( -2.254 -6.363 -1.112) 6.841 5.220 ( -1.214 1.288 -6.475) 6.713 5.309 ( -5.173 -3.806 -0.944) 6.491 5.434 ( 1.432 3.356 12.016) 12.558 5.445 ( 4.119 3.317 10.595) 11.841 5.532 ( 1.438 2.897 6.519) 7.277 5.610 ( -2.808 -0.805 4.892) 5.698 5.768 ( 0.179 2.995 0.689) 3.079 5.913 ( -1.612 -5.484 1.800) 5.992 5.960 ( 5.625 4.653 -3.178) 7.962 5.987 ( 3.103 1.800 -6.452) 7.383 6.126 ( 9.740 5.642 -1.818) 11.402 6.200 ( 9.166 -1.175 -0.406) 9.249 6.228 ( 4.580 1.705 -3.035) 5.753 6.295 ( 1.699 -2.370 -1.796) 3.425 6.462 ( 9.265 2.918 -1.443) 9.821 6.490 ( 3.254 0.835 1.278) 3.594 6.633 ( 4.444 -0.136 -1.642) 4.739 6.649 ( 1.347 -1.589 -0.387) 2.118 6.784 ( 2.814 1.951 -1.889) 3.910 6.795 ( 2.166 4.285 -8.725) 9.959 6.943 ( 2.097 5.339 -3.997) 6.992 7.044 ( 7.196 7.818 3.172) 11.089 7.093 ( 4.670 3.090 2.175) 6.007 7.163 ( 3.116 -4.242 -1.728) 5.540 7.292 ( -3.687 -7.020 3.117) 8.520 7.337 ( -1.340 -2.796 1.416) 3.408 7.382 ( -0.619 0.062 7.258) 7.285 7.523 ( -1.686 -8.617 4.506) 9.869 7.747 ( -1.161 5.621 -9.035) 10.704 7.870 ( 1.101 -5.714 -10.418) 11.934 8.132 ( -0.514 5.884 7.573) 9.604 8.236 ( -0.008 -2.867 4.756) 5.554 8.519 ( 2.039 5.247 -4.303) 7.085 8.534 ( 2.428 5.202 -5.032) 7.634 8.802 ( -1.625 10.646 -2.558) 11.069 8.852 ( -2.903 12.092 -1.249) 12.498 8.999 ( -3.503 -2.731 -0.008) 4.441 9.044 ( -2.508 -1.997 -1.152) 3.407 9.321 ( -7.146 2.407 -1.907) 7.778 9.348 ( -2.546 3.342 -0.054) 4.202 9.598 ( 0.050 3.650 0.651) 3.708 9.611 ( -0.531 1.700 -1.912) 2.613 9.906 ( -2.635 -10.085 0.565) 10.438 9.932 ( -0.699 -13.954 1.503) 14.052 10.153 ( -3.020 -12.887 0.274) 13.239 10.170 ( -2.889 -14.884 -1.331) 15.220 10.548 ( -2.160 3.738 9.895) 10.796 10.680 ( -2.261 -7.225 9.509) 12.155 11.172 ( 1.616 8.431 -5.446) 10.166 11.347 ( 0.576 -7.529 -7.654) 10.752 12.976 ( -1.047 8.098 6.083) 10.182 13.165 ( -0.983 -9.354 5.015) 10.659 13.611 ( 1.801 3.151 -9.421) 10.096 13.700 ( 2.151 -5.411 -7.911) 9.823 14.056 ( 0.240 11.680 2.430) 11.932 14.190 ( 0.591 -0.900 2.277) 2.519 14.498 ( 5.018 5.521 -2.799) 7.968 14.590 ( 2.901 -2.982 -3.015) 5.138 15.286 ( -2.616 1.062 9.193) 9.617 15.367 ( -3.231 -5.889 10.558) 12.513 15.833 ( 0.461 8.491 -6.133) 10.484 16.012 ( -0.136 -7.845 -6.678) 10.303 16.656 ( -0.922 7.555 2.494) 8.010 16.792 ( -2.115 7.622 -3.203) 8.534 16.829 ( -0.635 -8.271 1.489) 8.428 16.963 ( 0.375 -7.752 -2.125) 8.047 24.531 ( -0.341 1.981 0.897) 2.201 24.573 ( -0.243 -1.650 0.109) 1.671 24.666 ( -0.126 0.203 -0.517) 0.570 24.676 ( -0.325 -0.544 -0.633) 0.896 25.764 ( -0.931 5.748 5.218) 7.819 25.818 ( -0.891 0.517 4.665) 4.777 26.265 ( 4.710 8.408 -4.644) 10.698 26.385 ( 9.421 -1.851 -8.018) 12.509 27.056 ( -1.317 4.819 5.097) 7.137 27.166 ( -0.900 -5.429 6.530) 8.540 27.548 ( 1.127 1.981 -1.768) 2.884 27.565 ( 2.111 2.130 -8.166) 8.700 27.903 ( -3.141 1.919 10.061) 10.713 28.021 ( -1.434 -7.115 4.080) 8.326 28.431 ( -4.283 -2.930 -6.399) 8.239 28.447 ( -0.945 -4.459 -5.883) 7.442 ======================= Grid point 70 (33/52) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 8.329 0.000 30.183) 31.311 1.221 ( -2.981 0.000 26.786) 26.952 1.638 ( 1.867 0.000 -15.482) 15.594 1.723 ( -0.584 0.000 -27.527) 27.533 2.045 ( -1.539 0.000 20.738) 20.795 2.265 ( 0.737 0.000 -2.088) 2.214 2.354 ( 0.613 0.000 34.742) 34.747 2.518 ( 3.952 0.000 -2.639) 4.752 2.531 ( -11.860 0.000 -7.982) 14.296 2.646 ( -1.733 0.000 3.821) 4.196 2.820 ( 5.700 0.000 -3.421) 6.647 2.865 ( 0.306 0.000 2.762) 2.779 2.944 ( 4.646 0.000 -10.209) 11.216 2.982 ( -1.665 0.000 2.951) 3.388 3.035 ( 0.600 0.000 18.740) 18.749 3.140 ( -11.022 0.000 12.199) 16.441 3.210 ( 0.656 0.000 -4.359) 4.408 3.483 ( 4.318 0.000 0.422) 4.338 3.524 ( 1.332 0.000 -5.218) 5.385 3.593 ( -2.011 0.000 -0.712) 2.133 3.620 ( -3.488 0.000 -34.024) 34.202 3.672 ( -0.352 0.000 -8.768) 8.776 3.987 ( 2.833 0.000 0.523) 2.881 4.012 ( -2.908 0.000 1.470) 3.258 4.098 ( -0.107 0.000 4.826) 4.827 4.145 ( 1.690 0.000 2.583) 3.087 4.255 ( -2.949 0.000 4.411) 5.307 4.339 ( -0.693 0.000 -1.630) 1.771 4.372 ( -3.248 0.000 11.493) 11.943 4.460 ( 5.668 0.000 1.821) 5.953 4.498 ( -7.994 0.000 -10.341) 13.071 4.635 ( -2.017 0.000 19.707) 19.810 4.658 ( 10.176 0.000 -8.372) 13.177 4.788 ( 5.121 0.000 4.850) 7.053 4.873 ( -4.168 0.000 7.647) 8.709 4.954 ( -4.940 0.000 4.904) 6.961 5.066 ( 4.735 0.000 -8.908) 10.088 5.149 ( -4.089 0.000 -10.058) 10.857 5.200 ( 5.129 0.000 -5.675) 7.649 5.248 ( -2.581 0.000 1.771) 3.130 5.305 ( 1.510 0.000 -3.316) 3.644 5.352 ( -0.441 0.000 1.229) 1.306 5.414 ( -3.458 0.000 2.759) 4.424 5.707 ( 7.073 0.000 -18.858) 20.141 5.811 ( -4.539 0.000 10.146) 11.115 5.916 ( -4.995 0.000 6.409) 8.126 5.916 ( 4.314 0.000 3.161) 5.348 5.951 ( 0.761 0.000 0.290) 0.814 5.956 ( -2.535 0.000 0.726) 2.637 6.174 ( 0.812 0.000 -16.631) 16.651 6.334 ( 7.669 0.000 2.302) 8.007 6.383 ( -7.465 0.000 -2.390) 7.838 6.460 ( 2.380 0.000 6.907) 7.306 6.541 ( 5.455 0.000 2.532) 6.014 6.569 ( -0.066 0.000 -4.308) 4.308 6.598 ( 2.526 0.000 -3.086) 3.988 6.685 ( 7.153 0.000 3.513) 7.970 6.773 ( -12.897 0.000 -4.326) 13.603 6.866 ( 2.638 0.000 5.729) 6.307 6.994 ( -1.222 0.000 3.934) 4.119 7.003 ( -0.295 0.000 -4.456) 4.466 7.095 ( 0.137 0.000 -10.366) 10.367 7.233 ( -0.825 0.000 8.171) 8.213 7.346 ( 0.110 0.000 -1.877) 1.881 7.479 ( -4.889 0.000 8.229) 9.571 7.626 ( 5.212 0.000 -5.799) 7.797 7.725 ( -1.799 0.000 3.205) 3.675 7.755 ( 2.036 0.000 4.447) 4.891 8.076 ( -4.597 0.000 -2.697) 5.330 8.130 ( 5.576 0.000 -6.921) 8.888 8.266 ( 2.505 0.000 1.995) 3.203 8.388 ( -5.907 0.000 -9.428) 11.126 8.430 ( -12.991 0.000 1.081) 13.036 8.471 ( 8.267 0.000 -3.785) 9.092 9.084 ( -3.830 0.000 1.425) 4.086 9.112 ( 3.484 0.000 -1.325) 3.728 9.358 ( 11.253 0.000 1.511) 11.354 9.392 ( -9.709 0.000 -1.868) 9.887 10.219 ( -5.885 0.000 24.383) 25.083 10.285 ( 0.641 0.000 0.643) 0.908 10.293 ( -0.246 0.000 1.025) 1.054 10.583 ( 0.706 0.000 -10.361) 10.385 10.707 ( -5.111 0.000 2.457) 5.671 10.788 ( 3.149 0.000 -2.420) 3.971 10.801 ( -0.154 0.000 0.103) 0.185 10.818 ( 2.947 0.000 -6.798) 7.409 11.048 ( -4.701 0.000 13.680) 14.465 11.336 ( 8.818 0.000 -15.206) 17.578 13.001 ( 0.706 0.000 8.689) 8.718 13.101 ( 0.684 0.000 -1.484) 1.634 13.230 ( 3.379 0.000 1.717) 3.790 13.333 ( -3.639 0.000 -8.485) 9.232 13.964 ( -3.018 0.000 6.565) 7.226 13.983 ( 1.777 0.000 4.182) 4.544 14.209 ( -0.198 0.000 -2.440) 2.448 14.270 ( 1.233 0.000 -8.257) 8.349 15.569 ( 2.162 0.000 0.808) 2.308 15.584 ( -4.785 0.000 -0.677) 4.832 15.859 ( -2.516 0.000 12.632) 12.880 16.090 ( 1.725 0.000 -10.719) 10.857 16.390 ( -7.360 0.000 3.073) 7.975 16.450 ( 14.259 0.000 -2.953) 14.562 17.223 ( -1.205 0.000 0.759) 1.424 17.236 ( 1.216 0.000 -0.535) 1.328 24.533 ( -0.715 0.000 2.500) 2.600 24.584 ( 0.763 0.000 -2.671) 2.778 24.672 ( 0.323 0.000 0.259) 0.414 24.677 ( -0.328 0.000 -0.233) 0.402 25.320 ( -0.977 0.000 2.041) 2.263 25.360 ( 0.776 0.000 -2.035) 2.178 25.667 ( -0.802 0.000 3.959) 4.039 25.745 ( 0.691 0.000 -3.915) 3.976 26.989 ( -1.515 0.000 6.823) 6.989 27.133 ( 1.727 0.000 -7.712) 7.903 27.683 ( 3.571 0.000 6.794) 7.675 27.833 ( -9.862 0.000 -8.544) 13.048 28.203 ( -11.306 0.000 10.560) 15.471 28.379 ( 10.474 0.000 -5.889) 12.016 28.685 ( 1.329 0.000 4.772) 4.954 28.811 ( 6.166 0.000 -6.748) 9.141 ======================= Grid point 71 (34/52) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 6.117 0.000 21.422) 22.278 1.583 ( 9.363 0.000 5.822) 11.026 1.645 ( 10.887 0.000 -4.069) 11.623 1.663 ( 10.443 0.000 -28.646) 30.490 2.140 ( 0.412 0.000 11.395) 11.403 2.182 ( -14.387 0.000 -5.462) 15.389 2.275 ( -2.627 0.000 3.028) 4.009 2.528 ( -3.612 0.000 19.690) 20.019 2.569 ( 1.870 0.000 3.336) 3.825 2.652 ( 0.327 0.000 2.808) 2.827 2.809 ( -10.585 0.000 11.049) 15.301 2.894 ( -0.001 0.000 -8.463) 8.463 2.920 ( -0.060 0.000 -10.875) 10.875 2.976 ( 10.933 0.000 -5.047) 12.042 3.131 ( 7.405 0.000 16.493) 18.079 3.261 ( 0.280 0.000 -5.501) 5.508 3.310 ( 8.814 0.000 20.067) 21.917 3.478 ( 11.152 0.000 -11.526) 16.038 3.500 ( -0.070 0.000 -6.851) 6.851 3.593 ( 0.538 0.000 -6.496) 6.518 3.627 ( 5.408 0.000 3.786) 6.602 3.689 ( 8.085 0.000 -6.890) 10.623 4.004 ( -2.512 0.000 3.151) 4.030 4.005 ( 4.545 0.000 -3.059) 5.478 4.147 ( -1.076 0.000 11.088) 11.140 4.218 ( 3.534 0.000 -1.598) 3.878 4.262 ( -6.454 0.000 -0.735) 6.495 4.263 ( 2.180 0.000 2.242) 3.127 4.344 ( -3.168 0.000 8.186) 8.778 4.364 ( 3.824 0.000 -9.994) 10.701 4.642 ( 4.904 0.000 6.167) 7.879 4.696 ( 2.024 0.000 8.641) 8.875 4.782 ( -1.822 0.000 -7.802) 8.012 4.798 ( -7.290 0.000 1.545) 7.452 4.827 ( -10.122 0.000 15.335) 18.374 4.887 ( 2.977 0.000 3.996) 4.984 5.001 ( 1.092 0.000 -22.617) 22.643 5.084 ( 6.343 0.000 -6.429) 9.031 5.113 ( -14.215 0.000 -4.242) 14.835 5.259 ( 3.087 0.000 0.073) 3.087 5.301 ( -5.105 0.000 -3.525) 6.204 5.322 ( -6.812 0.000 14.116) 15.673 5.371 ( 4.043 0.000 -2.439) 4.721 5.636 ( -11.627 0.000 7.064) 13.604 5.770 ( 8.263 0.000 -18.123) 19.918 5.853 ( -4.464 0.000 -0.757) 4.528 5.866 ( -4.760 0.000 17.936) 18.557 5.946 ( -2.623 0.000 5.244) 5.864 6.004 ( -0.403 0.000 -7.230) 7.241 6.091 ( -0.104 0.000 -5.912) 5.913 6.220 ( -4.182 0.000 -4.508) 6.149 6.406 ( -3.014 0.000 3.357) 4.512 6.469 ( -4.515 0.000 2.912) 5.373 6.492 ( -5.454 0.000 -6.954) 8.838 6.498 ( -2.435 0.000 -8.283) 8.634 6.581 ( -1.091 0.000 -1.483) 1.841 6.647 ( 1.504 0.000 -4.725) 4.958 6.822 ( -4.448 0.000 6.902) 8.211 6.918 ( -3.384 0.000 8.042) 8.725 6.931 ( -0.660 0.000 -7.480) 7.509 7.040 ( 4.294 0.000 -0.395) 4.312 7.087 ( 2.965 0.000 -3.846) 4.856 7.216 ( -4.222 0.000 12.946) 13.617 7.308 ( 2.095 0.000 -11.599) 11.786 7.350 ( -6.747 0.000 7.794) 10.309 7.640 ( -0.443 0.000 -4.121) 4.145 7.724 ( 0.057 0.000 -0.757) 0.759 7.785 ( -2.874 0.000 1.109) 3.081 8.022 ( 0.837 0.000 -0.414) 0.933 8.113 ( -2.700 0.000 -1.581) 3.129 8.282 ( 0.392 0.000 1.555) 1.604 8.322 ( 4.532 0.000 -10.628) 11.554 8.468 ( 5.482 0.000 9.437) 10.913 8.775 ( 17.129 0.000 3.814) 17.549 9.070 ( 1.273 0.000 2.331) 2.656 9.180 ( -7.913 0.000 -4.033) 8.882 9.192 ( 3.126 0.000 -0.799) 3.226 9.607 ( 12.292 0.000 4.535) 13.102 10.166 ( -8.982 0.000 20.063) 21.982 10.292 ( -0.487 0.000 0.840) 0.971 10.307 ( -0.677 0.000 5.888) 5.927 10.448 ( -6.070 0.000 -16.090) 17.197 10.662 ( -0.007 0.000 2.356) 2.356 10.800 ( 0.135 0.000 -0.251) 0.285 10.802 ( 0.024 0.000 0.410) 0.411 10.866 ( 3.123 0.000 -2.899) 4.261 11.036 ( -3.536 0.000 12.286) 12.785 11.369 ( 2.987 0.000 -18.227) 18.471 13.012 ( -3.794 0.000 6.295) 7.350 13.113 ( 1.563 0.000 -2.038) 2.568 13.236 ( 1.599 0.000 -11.736) 11.845 13.266 ( -2.452 0.000 1.439) 2.844 13.960 ( -0.511 0.000 7.006) 7.024 14.045 ( 0.795 0.000 4.170) 4.245 14.213 ( 1.766 0.000 -1.727) 2.470 14.233 ( -0.083 0.000 -7.176) 7.176 15.506 ( -2.677 0.000 2.059) 3.377 15.585 ( -1.970 0.000 0.632) 2.069 15.874 ( -3.174 0.000 13.065) 13.445 16.088 ( 4.734 0.000 -9.514) 10.627 16.321 ( 0.319 0.000 1.594) 1.625 16.692 ( 10.050 0.000 -10.622) 14.622 17.220 ( 0.375 0.000 0.991) 1.060 17.279 ( 2.794 0.000 -1.209) 3.045 24.529 ( -1.009 0.000 2.498) 2.694 24.580 ( 0.448 0.000 -2.648) 2.686 24.677 ( 0.466 0.000 -0.119) 0.481 24.687 ( 0.811 0.000 0.140) 0.823 25.315 ( -0.690 0.000 2.604) 2.694 25.369 ( 1.155 0.000 -2.064) 2.366 25.669 ( -1.244 0.000 3.985) 4.175 25.734 ( 0.577 0.000 -3.741) 3.785 26.999 ( -1.529 0.000 7.017) 7.182 27.129 ( 2.294 0.000 -7.709) 8.043 27.581 ( -9.805 0.000 2.162) 10.040 27.717 ( -5.338 0.000 6.270) 8.234 28.124 ( -0.550 0.000 9.939) 9.954 28.456 ( -2.105 0.000 9.909) 10.130 28.835 ( 13.693 0.000 -23.010) 26.776 28.862 ( 2.094 0.000 -6.058) 6.410 ======================= Grid point 72 (35/52) ======================= q-point: ( 0.40 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 0.418 0.000 -7.566) 7.577 1.663 ( 1.047 0.000 -14.502) 14.540 1.721 ( 8.320 0.000 19.975) 21.638 1.823 ( -0.161 0.000 2.654) 2.659 1.897 ( -5.333 0.000 -2.960) 6.099 2.136 ( -8.100 0.000 5.186) 9.618 2.270 ( 0.300 0.000 0.085) 0.311 2.498 ( -2.463 0.000 12.306) 12.550 2.550 ( -6.543 0.000 0.407) 6.555 2.660 ( -3.854 0.000 9.587) 10.333 2.727 ( 5.356 0.000 0.082) 5.357 2.898 ( 4.376 0.000 -6.176) 7.569 3.040 ( 9.281 0.000 -0.862) 9.321 3.176 ( 8.820 0.000 -12.402) 15.219 3.253 ( 4.323 0.000 -0.746) 4.387 3.276 ( -3.113 0.000 9.457) 9.956 3.451 ( -2.785 0.000 5.655) 6.304 3.497 ( 0.330 0.000 4.011) 4.025 3.525 ( -1.533 0.000 -4.917) 5.151 3.722 ( 6.028 0.000 -16.946) 17.986 3.839 ( 15.503 0.000 7.210) 17.097 3.876 ( 10.923 0.000 2.685) 11.248 3.943 ( -4.379 0.000 2.837) 5.218 4.125 ( -9.276 0.000 15.749) 18.278 4.142 ( -6.307 0.000 -0.212) 6.310 4.210 ( 14.748 0.000 7.519) 16.554 4.283 ( -5.517 0.000 -7.091) 8.984 4.327 ( 9.551 0.000 -0.177) 9.553 4.343 ( 3.102 0.000 3.032) 4.338 4.429 ( 7.042 0.000 -9.814) 12.079 4.481 ( -17.143 0.000 6.554) 18.353 4.576 ( -9.582 0.000 -2.553) 9.916 4.591 ( -7.622 0.000 -1.964) 7.871 4.705 ( -11.351 0.000 11.408) 16.093 4.887 ( -0.655 0.000 -20.558) 20.568 4.943 ( 7.089 0.000 11.500) 13.509 5.002 ( 5.544 0.000 -5.861) 8.068 5.013 ( 11.881 0.000 13.296) 17.831 5.127 ( -1.385 0.000 -5.672) 5.838 5.161 ( -4.305 0.000 -0.240) 4.311 5.304 ( -3.387 0.000 14.102) 14.503 5.342 ( 6.516 0.000 -11.632) 13.333 5.422 ( 2.361 0.000 -1.895) 3.028 5.504 ( -6.482 0.000 10.578) 12.406 5.676 ( -1.959 0.000 -13.271) 13.415 5.846 ( -6.573 0.000 -13.419) 14.942 5.853 ( -7.714 0.000 15.748) 17.536 5.951 ( 7.354 0.000 -6.770) 9.995 5.955 ( -0.076 0.000 11.954) 11.954 6.069 ( -0.364 0.000 -2.645) 2.670 6.189 ( 3.421 0.000 -5.301) 6.309 6.276 ( -8.102 0.000 2.643) 8.522 6.337 ( -7.933 0.000 -0.639) 7.959 6.396 ( -0.082 0.000 -9.401) 9.402 6.453 ( 4.383 0.000 -9.106) 10.106 6.507 ( -2.691 0.000 1.794) 3.235 6.587 ( -14.048 0.000 -1.459) 14.123 6.640 ( 1.033 0.000 -7.304) 7.377 6.864 ( -5.691 0.000 9.900) 11.419 6.971 ( 3.860 0.000 0.011) 3.860 7.089 ( 0.707 0.000 -2.419) 2.520 7.108 ( 2.636 0.000 -8.207) 8.620 7.189 ( -5.586 0.000 12.942) 14.096 7.340 ( 7.096 0.000 -14.325) 15.986 7.380 ( 3.328 0.000 8.327) 8.967 7.574 ( -3.188 0.000 -2.784) 4.233 7.684 ( -6.477 0.000 2.873) 7.086 7.749 ( 2.363 0.000 -2.872) 3.719 8.054 ( 2.371 0.000 -2.658) 3.561 8.077 ( -0.845 0.000 -1.109) 1.395 8.317 ( 1.483 0.000 0.868) 1.719 8.350 ( 2.915 0.000 -7.213) 7.780 8.616 ( 3.030 0.000 10.374) 10.807 8.869 ( -4.555 0.000 -4.404) 6.336 9.145 ( 2.544 0.000 1.931) 3.194 9.212 ( -0.671 0.000 -0.137) 0.685 9.299 ( 15.882 0.000 11.644) 19.693 9.803 ( -4.059 0.000 6.667) 7.806 10.099 ( -8.876 0.000 15.030) 17.455 10.193 ( 0.101 0.000 -14.016) 14.016 10.318 ( -1.470 0.000 4.713) 4.937 10.344 ( 3.842 0.000 -5.764) 6.927 10.724 ( 3.125 0.000 4.366) 5.369 10.796 ( -0.209 0.000 -0.329) 0.390 10.805 ( -0.027 0.000 0.985) 0.985 10.888 ( -0.323 0.000 -2.019) 2.045 11.038 ( -3.581 0.000 12.694) 13.189 11.319 ( 3.545 0.000 -16.279) 16.661 12.938 ( -6.120 0.000 8.113) 10.162 13.131 ( 0.700 0.000 -0.960) 1.188 13.208 ( -1.521 0.000 -1.632) 2.231 13.227 ( 4.088 0.000 -16.603) 17.099 13.978 ( -2.814 0.000 8.654) 9.100 14.069 ( -0.119 0.000 3.137) 3.139 14.207 ( 1.144 0.000 -4.396) 4.542 14.250 ( 2.564 0.000 -3.473) 4.317 15.482 ( -1.183 0.000 2.502) 2.768 15.532 ( -1.701 0.000 -1.182) 2.072 15.885 ( -3.236 0.000 13.438) 13.823 16.127 ( 3.508 0.000 -10.383) 10.960 16.417 ( 4.477 0.000 8.545) 9.647 16.743 ( 1.979 0.000 -12.002) 12.164 17.244 ( 0.917 0.000 1.797) 2.017 17.308 ( 0.641 0.000 -2.204) 2.296 24.524 ( -0.830 0.000 2.530) 2.662 24.576 ( 0.618 0.000 -2.656) 2.727 24.690 ( 0.544 0.000 0.142) 0.562 24.699 ( 0.180 0.000 -0.079) 0.197 25.321 ( -0.449 0.000 3.048) 3.080 25.378 ( 0.799 0.000 -2.308) 2.443 25.662 ( -1.483 0.000 3.840) 4.116 25.729 ( 1.051 0.000 -3.558) 3.710 27.003 ( -2.077 0.000 7.101) 7.398 27.138 ( 2.680 0.000 -7.540) 8.002 27.478 ( -2.688 0.000 5.956) 6.534 27.601 ( -5.646 0.000 0.375) 5.659 28.247 ( 3.664 0.000 15.078) 15.516 28.446 ( -4.354 0.000 9.790) 10.715 28.822 ( -2.588 0.000 -5.723) 6.281 28.932 ( 10.038 0.000 -27.199) 28.992 ======================= Grid point 73 (36/52) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( -16.220 0.000 13.177) 20.897 1.424 ( -17.971 0.000 7.076) 19.314 1.824 ( -1.333 0.000 2.796) 3.097 1.886 ( 3.088 0.000 -5.351) 6.178 1.979 ( -5.118 0.000 1.613) 5.366 2.117 ( 16.801 0.000 8.312) 18.745 2.294 ( 1.490 0.000 3.783) 4.066 2.405 ( 2.077 0.000 -12.243) 12.418 2.442 ( -18.240 0.000 21.822) 28.441 2.781 ( 6.264 0.000 11.368) 12.979 2.781 ( 0.257 0.000 -3.343) 3.352 2.957 ( 4.922 0.000 -11.415) 12.431 3.101 ( -3.696 0.000 -7.336) 8.214 3.136 ( -3.537 0.000 -15.188) 15.594 3.157 ( -11.801 0.000 11.445) 16.439 3.349 ( 0.024 0.000 -1.237) 1.237 3.370 ( -6.952 0.000 6.668) 9.633 3.481 ( -1.012 0.000 -0.615) 1.184 3.500 ( -0.774 0.000 4.807) 4.868 3.750 ( 7.100 0.000 -10.786) 12.913 3.846 ( -5.787 0.000 5.787) 8.184 3.942 ( -10.031 0.000 -2.043) 10.237 3.998 ( 2.071 0.000 -1.846) 2.774 4.020 ( -3.101 0.000 10.827) 11.263 4.120 ( -7.934 0.000 11.050) 13.603 4.234 ( -2.865 0.000 -4.819) 5.606 4.249 ( 11.835 0.000 2.287) 12.054 4.299 ( -9.242 0.000 -3.293) 9.811 4.402 ( -1.123 0.000 4.816) 4.945 4.478 ( -2.354 0.000 5.436) 5.924 4.546 ( 0.010 0.000 13.036) 13.036 4.549 ( 10.404 0.000 -2.495) 10.699 4.649 ( 6.901 0.000 -10.274) 12.376 4.706 ( 7.147 0.000 10.979) 13.100 4.708 ( 3.024 0.000 -23.429) 23.623 4.981 ( -3.959 0.000 -8.522) 9.396 5.004 ( -6.815 0.000 11.859) 13.678 5.074 ( 5.392 0.000 -6.855) 8.721 5.214 ( 4.028 0.000 4.415) 5.976 5.283 ( -10.210 0.000 -14.920) 18.078 5.350 ( 2.830 0.000 12.901) 13.208 5.384 ( 2.130 0.000 -17.656) 17.784 5.393 ( 6.607 0.000 3.117) 7.305 5.554 ( 10.198 0.000 16.552) 19.442 5.592 ( 5.306 0.000 -13.391) 14.404 5.708 ( 2.046 0.000 -8.779) 9.014 5.776 ( -6.455 0.000 12.504) 14.072 6.006 ( -0.316 0.000 5.081) 5.090 6.012 ( -0.106 0.000 -3.435) 3.436 6.054 ( -0.851 0.000 3.927) 4.019 6.251 ( 1.146 0.000 -3.627) 3.803 6.260 ( 5.725 0.000 -0.697) 5.768 6.279 ( 6.221 0.000 0.465) 6.238 6.327 ( -8.657 0.000 0.361) 8.664 6.416 ( 8.060 0.000 -9.442) 12.414 6.509 ( 0.866 0.000 3.410) 3.518 6.577 ( 7.819 0.000 -2.390) 8.176 6.616 ( 3.254 0.000 -5.233) 6.162 6.826 ( -3.284 0.000 10.431) 10.935 7.036 ( 1.160 0.000 1.102) 1.600 7.055 ( -2.462 0.000 -1.167) 2.725 7.118 ( 4.074 0.000 -11.225) 11.942 7.139 ( -5.907 0.000 9.818) 11.458 7.406 ( 6.250 0.000 -11.268) 12.885 7.475 ( -4.751 0.000 -2.862) 5.547 7.481 ( 0.483 0.000 5.368) 5.390 7.616 ( -1.793 0.000 9.616) 9.782 7.779 ( 3.207 0.000 -4.751) 5.732 8.050 ( -0.880 0.000 -1.583) 1.811 8.083 ( 2.290 0.000 -3.452) 4.142 8.329 ( -0.575 0.000 -1.293) 1.415 8.361 ( 1.729 0.000 -5.545) 5.808 8.736 ( 4.299 0.000 9.956) 10.844 8.763 ( -3.585 0.000 -5.383) 6.467 9.168 ( -3.663 0.000 0.064) 3.663 9.182 ( -0.293 0.000 2.661) 2.677 9.497 ( -18.518 0.000 -6.143) 19.510 9.715 ( 15.058 0.000 16.663) 22.459 9.925 ( -14.706 0.000 9.585) 17.554 10.227 ( 2.454 0.000 -2.200) 3.296 10.309 ( -0.949 0.000 1.548) 1.816 10.460 ( 9.578 0.000 -8.506) 12.810 10.780 ( -1.508 0.000 -1.159) 1.902 10.784 ( 0.374 0.000 1.488) 1.535 10.827 ( 0.604 0.000 3.734) 3.783 10.850 ( -0.594 0.000 -3.043) 3.101 11.031 ( -3.769 0.000 12.923) 13.461 11.325 ( 4.803 0.000 -16.483) 17.169 12.896 ( -3.494 0.000 11.698) 12.209 13.122 ( -0.045 0.000 -4.761) 4.762 13.187 ( 0.108 0.000 -1.882) 1.886 13.219 ( 4.039 0.000 -9.451) 10.278 13.962 ( -2.841 0.000 8.538) 8.998 14.075 ( -1.579 0.000 2.996) 3.386 14.228 ( 3.355 0.000 -5.089) 6.095 14.261 ( 0.786 0.000 -4.562) 4.629 15.491 ( 0.932 0.000 3.182) 3.316 15.516 ( 0.487 0.000 -1.120) 1.221 15.893 ( -3.625 0.000 13.383) 13.865 16.122 ( 2.305 0.000 -10.570) 10.819 16.525 ( -0.108 0.000 10.018) 10.018 16.639 ( -5.134 0.000 -14.261) 15.157 17.264 ( -0.328 0.000 2.200) 2.224 17.282 ( -1.583 0.000 -2.079) 2.613 24.524 ( -0.534 0.000 2.511) 2.568 24.576 ( 0.895 0.000 -2.717) 2.861 24.693 ( -0.604 0.000 -0.214) 0.641 24.696 ( -0.062 0.000 0.186) 0.196 25.328 ( -0.627 0.000 2.940) 3.006 25.374 ( 0.172 0.000 -2.431) 2.437 25.657 ( -1.099 0.000 3.740) 3.898 25.737 ( 1.570 0.000 -3.609) 3.936 26.996 ( -2.422 0.000 6.827) 7.244 27.147 ( 2.291 0.000 -7.481) 7.824 27.533 ( -0.578 0.000 -0.541) 0.791 27.542 ( 5.509 0.000 7.645) 9.423 28.392 ( -4.536 0.000 3.518) 5.741 28.398 ( -0.173 0.000 19.840) 19.841 28.714 ( -2.298 0.000 -9.245) 9.527 28.931 ( 2.954 0.000 -21.568) 21.769 ======================= Grid point 74 (37/52) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -17.626 0.000 24.598) 30.261 1.230 ( -12.010 0.000 23.806) 26.664 1.727 ( -3.218 0.000 -9.821) 10.334 1.880 ( -0.683 0.000 -11.342) 11.363 2.004 ( -1.196 0.000 11.330) 11.393 2.222 ( -12.751 0.000 37.163) 39.290 2.267 ( 0.462 0.000 -3.014) 3.049 2.443 ( 5.106 0.000 -5.213) 7.297 2.535 ( 12.570 0.000 7.366) 14.569 2.715 ( -4.009 0.000 -3.311) 5.199 2.892 ( 0.121 0.000 -6.681) 6.683 2.900 ( -9.964 0.000 -7.832) 12.673 2.946 ( -2.690 0.000 -0.640) 2.765 2.957 ( 0.773 0.000 -7.374) 7.414 3.014 ( -7.806 0.000 14.466) 16.438 3.271 ( -7.220 0.000 8.482) 11.138 3.296 ( -2.220 0.000 -1.077) 2.468 3.444 ( -1.558 0.000 -2.864) 3.260 3.515 ( 0.299 0.000 1.285) 1.319 3.720 ( -8.614 0.000 -3.187) 9.185 3.738 ( 0.845 0.000 -11.541) 11.572 3.845 ( 1.053 0.000 -13.203) 13.245 3.967 ( -5.270 0.000 2.545) 5.852 4.031 ( -1.847 0.000 9.854) 10.025 4.095 ( 1.327 0.000 -4.482) 4.674 4.247 ( 4.621 0.000 -0.578) 4.657 4.252 ( -7.005 0.000 -7.353) 10.156 4.331 ( -0.543 0.000 2.535) 2.592 4.340 ( -4.136 0.000 2.197) 4.683 4.392 ( 7.021 0.000 -4.621) 8.406 4.476 ( -6.944 0.000 15.539) 17.020 4.562 ( -3.338 0.000 20.847) 21.113 4.732 ( 1.868 0.000 -4.506) 4.878 4.848 ( -4.000 0.000 -9.440) 10.252 4.888 ( 0.541 0.000 8.230) 8.248 4.922 ( 3.308 0.000 -8.411) 9.038 4.959 ( 0.293 0.000 2.048) 2.068 5.070 ( 8.629 0.000 -2.837) 9.084 5.196 ( 7.324 0.000 -14.512) 16.256 5.270 ( 0.454 0.000 1.886) 1.940 5.353 ( 1.959 0.000 -13.601) 13.741 5.355 ( -5.189 0.000 11.900) 12.982 5.456 ( -1.781 0.000 3.320) 3.767 5.663 ( 8.307 0.000 -16.033) 18.057 5.736 ( 6.114 0.000 -3.845) 7.223 5.768 ( 1.769 0.000 5.510) 5.787 5.868 ( 5.716 0.000 6.270) 8.485 5.979 ( -2.135 0.000 2.930) 3.625 6.013 ( -1.373 0.000 2.885) 3.195 6.135 ( 6.864 0.000 0.817) 6.912 6.225 ( 2.752 0.000 -11.470) 11.796 6.326 ( 3.831 0.000 6.818) 7.821 6.403 ( 6.171 0.000 1.244) 6.296 6.423 ( 5.205 0.000 0.904) 5.283 6.545 ( 3.762 0.000 -4.280) 5.698 6.573 ( 4.040 0.000 0.585) 4.082 6.576 ( 1.299 0.000 -1.617) 2.074 6.793 ( 2.031 0.000 3.718) 4.237 6.921 ( 7.293 0.000 0.098) 7.294 7.028 ( -1.349 0.000 0.034) 1.350 7.029 ( 3.282 0.000 4.452) 5.531 7.061 ( -5.192 0.000 10.353) 11.582 7.136 ( 3.037 0.000 -11.612) 12.003 7.364 ( -2.629 0.000 -1.795) 3.184 7.476 ( -2.680 0.000 7.385) 7.856 7.501 ( 8.572 0.000 -9.656) 12.912 7.690 ( 1.549 0.000 9.043) 9.174 7.790 ( -2.441 0.000 0.405) 2.475 8.054 ( 3.605 0.000 -3.913) 5.320 8.112 ( 2.343 0.000 -3.705) 4.383 8.277 ( -2.452 0.000 -3.544) 4.309 8.368 ( 3.322 0.000 -7.511) 8.213 8.621 ( -7.374 0.000 -6.505) 9.833 8.845 ( -10.540 0.000 -1.514) 10.648 9.097 ( 4.210 0.000 2.676) 4.988 9.152 ( -6.220 0.000 -4.226) 7.520 9.160 ( -3.362 0.000 2.356) 4.105 9.635 ( -14.271 0.000 1.647) 14.366 10.072 ( 6.771 0.000 22.109) 23.122 10.256 ( 1.491 0.000 0.386) 1.540 10.300 ( -0.568 0.000 0.635) 0.852 10.567 ( 5.827 0.000 -9.699) 11.315 10.737 ( 0.479 0.000 -4.206) 4.233 10.782 ( -1.824 0.000 1.930) 2.655 10.818 ( -2.531 0.000 1.926) 3.181 10.834 ( 0.327 0.000 -4.489) 4.501 11.048 ( -2.929 0.000 14.492) 14.785 11.298 ( 2.560 0.000 -14.714) 14.935 12.922 ( -0.261 0.000 11.506) 11.509 13.100 ( 0.437 0.000 -2.836) 2.869 13.186 ( 0.908 0.000 -1.303) 1.588 13.316 ( 7.923 0.000 -4.092) 8.918 13.968 ( -1.771 0.000 8.579) 8.760 14.014 ( -5.330 0.000 1.873) 5.649 14.238 ( -0.310 0.000 -4.294) 4.306 14.267 ( 3.378 0.000 -7.327) 8.068 15.530 ( 1.404 0.000 -0.676) 1.558 15.575 ( 5.059 0.000 2.335) 5.572 15.877 ( -5.340 0.000 11.852) 12.999 16.109 ( 2.334 0.000 -10.591) 10.845 16.399 ( -7.952 0.000 -7.711) 11.077 16.513 ( -6.143 0.000 8.033) 10.113 17.241 ( -1.065 0.000 -1.130) 1.553 17.252 ( -1.795 0.000 1.525) 2.355 24.529 ( -0.417 0.000 2.487) 2.522 24.580 ( 1.023 0.000 -2.702) 2.890 24.677 ( -0.723 0.000 -0.052) 0.725 24.689 ( -0.610 0.000 -0.011) 0.611 25.327 ( -0.864 0.000 2.252) 2.412 25.363 ( 0.204 0.000 -2.256) 2.265 25.660 ( -0.774 0.000 3.777) 3.856 25.747 ( 1.326 0.000 -3.810) 4.034 26.987 ( -2.106 0.000 6.704) 7.027 27.143 ( 1.652 0.000 -7.585) 7.763 27.572 ( 3.699 0.000 1.976) 4.194 27.794 ( 14.537 0.000 0.714) 14.554 28.305 ( -2.592 0.000 -5.485) 6.067 28.380 ( -11.956 0.000 17.776) 21.422 28.710 ( 6.965 0.000 -9.293) 11.613 28.793 ( -8.176 0.000 -4.283) 9.230 ======================= Grid point 75 (38/52) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 6.846 11.693 25.590) 28.956 1.424 ( -0.619 15.456 19.722) 25.064 1.747 ( -0.100 8.811 -10.641) 13.816 1.784 ( 0.406 5.655 -19.107) 19.931 2.068 ( -6.046 3.799 9.015) 11.500 2.219 ( 1.305 -3.227 -2.204) 4.120 2.399 ( 3.775 3.620 24.867) 25.411 2.548 ( 3.933 2.401 6.172) 7.702 2.583 ( -7.214 -0.472 0.419) 7.242 2.688 ( -4.515 2.354 -7.637) 9.178 2.780 ( 3.070 1.373 2.116) 3.974 2.850 ( -2.513 -1.383 3.445) 4.482 2.891 ( -1.198 -0.256 0.821) 1.475 2.976 ( 2.898 1.937 -10.880) 11.425 3.107 ( 2.913 5.200 11.490) 12.944 3.211 ( 1.309 -2.493 2.056) 3.487 3.280 ( -6.367 0.750 -1.404) 6.563 3.434 ( 1.083 1.225 3.354) 3.731 3.495 ( 2.865 0.562 -0.959) 3.073 3.642 ( -2.494 4.189 -18.889) 19.508 3.654 ( -0.554 0.708 -5.973) 6.040 3.772 ( 1.094 5.898 -6.370) 8.750 3.976 ( -4.122 -1.515 2.554) 5.080 4.063 ( 2.914 2.661 -6.486) 7.591 4.122 ( -1.458 5.303 4.969) 7.412 4.173 ( -3.405 3.833 3.870) 6.424 4.236 ( -2.820 -0.891 -1.221) 3.200 4.312 ( 0.675 -2.101 -0.844) 2.362 4.352 ( 8.631 -4.957 3.487) 10.546 4.499 ( -8.479 4.687 3.766) 10.394 4.537 ( -3.921 5.249 -0.567) 6.576 4.660 ( 1.635 2.024 15.710) 15.924 4.774 ( 6.928 7.827 -0.808) 10.484 4.812 ( 0.372 0.797 0.438) 0.983 4.877 ( -1.919 0.355 4.689) 5.079 5.000 ( -0.958 4.056 2.928) 5.093 5.067 ( 1.531 -0.116 -1.733) 2.316 5.171 ( -0.717 -1.249 0.937) 1.718 5.193 ( 0.828 1.596 -0.260) 1.817 5.246 ( 0.668 2.245 -10.305) 10.568 5.302 ( 0.148 3.736 -6.415) 7.425 5.371 ( 0.589 2.581 -8.176) 8.594 5.550 ( -2.033 8.244 4.683) 9.697 5.704 ( -0.538 -1.813 0.420) 1.937 5.764 ( -4.262 -5.279 4.542) 8.165 5.855 ( -1.427 -3.275 4.920) 6.080 5.902 ( 1.994 -2.104 0.658) 2.972 5.927 ( 2.619 1.494 -3.487) 4.610 5.960 ( 2.530 -0.314 -0.916) 2.709 6.156 ( -0.535 -1.715 -15.545) 15.649 6.276 ( 5.208 -3.811 1.460) 6.617 6.314 ( -4.454 -3.782 -1.829) 6.122 6.491 ( 2.157 2.912 6.361) 7.321 6.563 ( 0.866 2.457 -0.517) 2.656 6.617 ( 7.866 1.167 3.258) 8.594 6.638 ( 0.780 5.063 0.686) 5.168 6.741 ( 2.355 3.000 -1.958) 4.288 6.778 ( -10.323 1.344 -3.829) 11.092 6.876 ( 0.320 1.331 3.013) 3.309 6.992 ( -2.069 -1.954 -0.957) 3.002 7.045 ( -0.655 2.577 0.528) 2.711 7.148 ( 1.875 3.090 -5.304) 6.418 7.232 ( -1.277 1.207 5.621) 5.889 7.318 ( 0.719 -1.609 -1.402) 2.252 7.614 ( -5.011 9.816 6.293) 12.691 7.652 ( 9.393 1.936 2.758) 9.979 7.699 ( -4.421 -1.469 4.816) 6.701 7.815 ( 0.599 5.668 -7.484) 9.407 8.089 ( -5.959 0.161 -1.107) 6.064 8.128 ( 3.650 -0.107 -6.247) 7.236 8.265 ( -3.482 -2.977 -1.420) 4.796 8.291 ( 3.751 -4.472 -2.748) 6.452 8.464 ( -4.875 1.470 -1.181) 5.227 8.470 ( 1.860 1.893 -2.202) 3.449 8.983 ( -4.395 -5.941 1.332) 7.509 9.012 ( 3.687 -5.556 -1.499) 6.834 9.377 ( 9.393 -0.273 1.743) 9.558 9.398 ( -6.234 -0.879 -0.073) 6.296 9.824 ( -6.678 -20.841 7.738) 23.213 9.873 ( 5.824 -20.799 2.755) 21.774 10.385 ( -0.595 0.947 10.084) 10.146 10.549 ( -0.714 -2.015 -6.069) 6.435 10.650 ( -0.463 -10.387 1.602) 10.520 10.675 ( 0.367 -10.462 -0.971) 10.513 10.834 ( 0.248 3.263 5.077) 6.041 10.947 ( -1.595 1.275 -4.027) 4.515 11.073 ( -4.767 -0.510 9.248) 10.417 11.318 ( 7.107 -1.963 -13.129) 15.058 12.967 ( -1.517 0.011 9.947) 10.062 13.176 ( 4.176 3.569 -11.473) 12.721 13.453 ( 3.059 17.386 6.414) 18.783 13.628 ( -4.757 21.969 -11.437) 25.220 13.778 ( -1.078 -9.573 6.925) 11.864 13.924 ( 1.571 -9.146 -7.142) 11.710 14.239 ( -0.650 5.418 7.486) 9.264 14.398 ( 0.448 6.044 -8.376) 10.339 15.534 ( -2.761 -3.081 2.623) 4.899 15.575 ( 1.072 -0.304 -1.725) 2.053 15.824 ( -3.198 -3.183 12.807) 13.579 16.058 ( 2.478 -2.929 -10.860) 11.518 16.423 ( -6.516 3.165 2.781) 7.760 16.473 ( 11.032 2.526 -2.056) 11.503 17.168 ( -0.467 -4.951 0.797) 5.037 17.183 ( 0.393 -4.183 -0.800) 4.277 24.527 ( -0.708 -0.352 2.304) 2.436 24.575 ( 0.637 -0.623 -2.492) 2.646 24.674 ( 0.260 0.050 0.110) 0.287 24.676 ( -0.239 -0.199 -0.143) 0.342 25.461 ( -1.065 12.265 6.215) 13.791 25.621 ( 0.702 19.151 -11.367) 22.282 25.729 ( -0.988 5.327 4.469) 7.023 25.817 ( 1.011 6.333 -4.429) 7.794 27.015 ( -1.578 2.404 7.150) 7.707 27.166 ( 1.833 3.050 -8.159) 8.901 27.639 ( 2.558 -4.071 6.101) 7.768 27.760 ( -7.565 -6.387 -5.730) 11.440 28.172 ( -10.172 -2.730 10.443) 14.831 28.350 ( 9.952 -2.517 -6.504) 12.153 28.536 ( -0.243 -11.185 8.875) 14.281 28.707 ( 5.701 -8.793 -7.967) 13.164 ======================= Grid point 76 (39/52) ======================= q-point: ( 0.20 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 4.563 9.546 11.662) 15.746 1.669 ( 3.827 4.813 -17.397) 18.451 1.715 ( 13.037 10.061 13.276) 21.153 1.822 ( 8.108 12.330 -10.574) 18.154 2.071 ( 0.179 -3.203 8.067) 8.682 2.230 ( 0.967 2.355 -2.503) 3.570 2.355 ( -12.423 6.503 4.402) 14.697 2.539 ( -0.478 -2.184 3.754) 4.370 2.619 ( 1.347 0.275 -3.320) 3.593 2.666 ( -4.665 6.120 11.137) 13.537 2.816 ( 0.393 1.131 5.376) 5.507 2.853 ( -0.716 0.617 5.824) 5.900 2.907 ( 2.153 -0.647 -4.183) 4.749 2.986 ( 3.774 0.575 -1.202) 4.003 3.194 ( 1.440 -1.005 -3.600) 4.006 3.225 ( 6.165 0.135 -0.244) 6.171 3.376 ( 6.023 2.010 3.870) 7.436 3.405 ( 4.179 -0.981 1.265) 4.475 3.578 ( 2.540 -2.171 -6.543) 7.347 3.632 ( 4.472 5.635 2.646) 7.664 3.663 ( 7.977 2.878 -6.971) 10.978 3.776 ( 3.972 8.390 -3.979) 10.099 3.948 ( -0.484 -2.023 4.478) 4.937 4.067 ( -0.544 1.145 2.594) 2.887 4.148 ( 0.492 1.563 1.819) 2.448 4.164 ( 0.658 -0.010 3.253) 3.319 4.245 ( 2.968 2.276 1.343) 3.974 4.349 ( 3.289 -0.772 -1.646) 3.758 4.365 ( 0.757 2.811 -5.107) 5.878 4.488 ( -5.676 10.255 9.126) 14.855 4.567 ( 7.469 -4.456 5.041) 10.052 4.713 ( -4.542 1.270 -1.986) 5.118 4.790 ( -2.890 -0.020 11.259) 11.624 4.876 ( -1.954 4.596 5.450) 7.392 4.888 ( 0.187 6.036 -0.649) 6.074 4.981 ( -3.186 5.448 2.124) 6.659 5.033 ( -2.109 -0.912 -5.847) 6.282 5.062 ( -0.686 5.277 -12.547) 13.629 5.140 ( -6.313 1.845 -3.114) 7.277 5.248 ( -3.972 -1.378 -2.000) 4.656 5.286 ( 2.405 1.772 -1.733) 3.454 5.340 ( 3.853 2.635 -3.588) 5.888 5.491 ( -6.452 8.382 7.571) 13.008 5.603 ( -9.012 -2.921 7.180) 11.887 5.762 ( 4.504 -1.629 -3.122) 5.717 5.811 ( -5.447 -2.300 -0.752) 5.960 5.881 ( -2.747 -2.046 10.190) 10.751 5.951 ( -0.162 -0.025 -0.674) 0.693 5.988 ( -0.991 0.817 -5.629) 5.773 6.045 ( -0.540 -3.128 -8.648) 9.212 6.165 ( -3.670 -3.578 -5.628) 7.612 6.344 ( -2.031 -3.270 1.080) 3.998 6.457 ( -5.512 0.564 -0.257) 5.547 6.498 ( -4.564 0.359 -7.580) 8.855 6.521 ( -5.062 2.465 -1.259) 5.770 6.652 ( -1.343 4.350 0.168) 4.555 6.703 ( 1.308 3.951 -2.956) 5.105 6.852 ( -7.546 1.175 3.554) 8.423 6.878 ( 0.246 0.446 4.670) 4.698 6.976 ( 3.728 -0.050 0.621) 3.779 7.064 ( 1.613 1.580 1.203) 2.558 7.136 ( -0.714 1.366 -2.719) 3.126 7.206 ( -1.087 0.734 2.266) 2.619 7.311 ( -0.576 -0.275 -4.379) 4.426 7.402 ( -9.247 5.717 4.744) 11.861 7.660 ( -1.902 1.280 1.446) 2.711 7.771 ( -2.042 0.929 -2.097) 3.070 7.804 ( 2.075 5.486 -2.108) 6.232 8.047 ( 1.171 2.432 1.302) 2.997 8.159 ( -0.570 2.354 -3.743) 4.459 8.237 ( 3.627 -3.356 -1.507) 5.166 8.294 ( -0.049 -0.694 -1.070) 1.277 8.506 ( 2.513 3.125 3.147) 5.097 8.632 ( 9.897 -12.319 1.156) 15.844 8.977 ( 4.122 -3.812 4.195) 7.008 9.102 ( 3.459 -1.171 -1.676) 4.018 9.251 ( -1.836 -0.181 -1.892) 2.642 9.608 ( 8.259 -1.737 2.092) 8.695 9.744 ( -3.889 -21.677 7.485) 23.261 10.044 ( 9.879 -15.556 -3.830) 18.822 10.405 ( -3.163 1.202 10.035) 10.590 10.463 ( -4.166 -0.513 -6.634) 7.850 10.658 ( 0.548 -8.330 1.759) 8.532 10.678 ( 0.611 -10.557 -0.892) 10.612 10.814 ( -3.696 3.741 0.443) 5.277 10.927 ( 0.285 0.228 1.977) 2.011 11.051 ( -2.201 -0.334 10.088) 10.330 11.361 ( 4.056 -1.609 -15.334) 15.943 12.969 ( -3.588 -0.701 8.661) 9.401 13.207 ( 5.543 3.160 -14.342) 15.698 13.411 ( -5.596 19.058 -1.023) 19.889 13.524 ( -3.276 18.505 -0.494) 18.799 13.781 ( -1.638 -11.329 8.084) 14.013 13.936 ( 2.771 -8.659 -6.868) 11.394 14.267 ( -1.516 5.609 8.081) 9.953 14.370 ( 1.920 6.211 -7.312) 9.784 15.481 ( -2.783 -2.030 3.468) 4.888 15.579 ( -1.195 -0.265 -1.162) 1.687 15.836 ( -2.891 -3.522 13.066) 13.838 16.066 ( 4.434 -2.149 -10.102) 11.240 16.362 ( 0.283 3.933 2.086) 4.461 16.690 ( 9.790 -0.025 -8.476) 12.949 17.167 ( 0.140 -4.596 0.682) 4.648 17.209 ( 1.987 -5.727 -0.643) 6.096 24.524 ( -0.865 -0.249 2.413) 2.576 24.572 ( 0.514 -0.528 -2.370) 2.482 24.676 ( 0.392 -0.182 -0.029) 0.433 24.687 ( 0.756 -0.114 -0.009) 0.765 25.466 ( -2.043 12.720 6.442) 14.404 25.560 ( -0.613 15.053 -6.898) 16.570 25.730 ( -1.411 5.270 4.397) 7.007 25.808 ( 0.668 6.311 -4.329) 7.682 27.026 ( -1.610 2.453 7.356) 7.919 27.163 ( 2.446 3.053 -8.186) 9.072 27.545 ( -8.660 -3.228 3.006) 9.719 27.671 ( -4.419 -4.044 4.591) 7.547 28.103 ( -0.958 -1.763 9.840) 10.043 28.406 ( -2.608 -4.448 9.522) 10.829 28.702 ( 12.320 -10.540 -17.341) 23.739 28.759 ( 4.356 -8.991 -8.970) 13.427 ======================= Grid point 77 (40/52) ======================= q-point: ( 0.40 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -0.687 2.895 -0.507) 3.018 1.688 ( 4.388 4.598 -11.525) 13.162 1.884 ( 2.410 11.267 13.353) 17.637 1.964 ( 7.227 11.083 -3.446) 13.672 2.076 ( -9.232 9.528 3.809) 13.802 2.088 ( -5.887 0.968 3.763) 7.053 2.302 ( 0.739 3.237 0.865) 3.431 2.544 ( -1.762 -0.047 -4.381) 4.722 2.592 ( -3.163 0.966 8.242) 8.881 2.632 ( -0.802 5.896 13.017) 14.312 2.738 ( -3.667 -1.257 -5.981) 7.127 2.875 ( 4.601 -0.299 -1.060) 4.731 3.014 ( 5.300 -4.432 0.530) 6.929 3.114 ( 3.200 -2.402 1.908) 4.433 3.171 ( 3.926 -3.215 -5.856) 7.749 3.365 ( 3.124 4.903 -4.057) 7.090 3.467 ( -0.934 -0.741 3.641) 3.831 3.514 ( 2.602 1.162 -3.445) 4.471 3.612 ( 2.592 0.059 4.515) 5.206 3.797 ( 10.066 2.145 3.607) 10.906 3.799 ( 6.104 6.889 -10.599) 14.038 3.910 ( 3.420 -0.706 0.520) 3.531 3.983 ( 2.092 1.778 2.413) 3.656 4.087 ( -3.648 -2.983 1.207) 4.864 4.166 ( 9.788 -0.629 4.360) 10.733 4.230 ( -6.525 7.289 7.757) 12.485 4.323 ( -4.529 4.582 2.218) 6.814 4.352 ( 7.083 5.975 7.051) 11.644 4.410 ( 0.322 -0.914 -4.053) 4.168 4.478 ( -0.188 3.845 -10.350) 11.043 4.542 ( -4.776 5.183 -1.643) 7.237 4.582 ( -3.682 4.482 3.587) 6.820 4.674 ( -10.154 7.333 12.677) 17.820 4.754 ( -10.235 0.030 -0.037) 10.235 4.863 ( 3.276 -0.078 -6.318) 7.117 4.964 ( 3.285 0.408 4.827) 5.853 4.995 ( 4.550 4.818 -2.703) 7.156 5.065 ( -2.219 -0.884 4.546) 5.136 5.124 ( -0.887 -1.462 3.370) 3.779 5.158 ( 6.910 4.356 -4.342) 9.251 5.375 ( 0.155 4.056 5.033) 6.465 5.396 ( 3.513 4.829 -8.122) 10.081 5.451 ( 0.713 2.948 0.857) 3.151 5.492 ( -5.569 0.407 9.026) 10.613 5.659 ( -3.084 -1.756 -7.557) 8.349 5.827 ( -6.696 -2.447 2.951) 7.716 5.869 ( -1.594 0.955 0.126) 1.863 5.928 ( 0.423 -5.976 -2.746) 6.590 5.957 ( -0.486 -1.111 7.951) 8.043 6.012 ( 2.517 1.432 -6.075) 6.730 6.121 ( 2.987 -4.176 -5.438) 7.479 6.266 ( -4.418 -0.050 0.617) 4.461 6.343 ( -7.428 0.225 -1.829) 7.653 6.396 ( -1.873 0.998 -8.012) 8.289 6.429 ( 3.442 -1.062 -6.923) 7.804 6.584 ( -2.005 4.265 -1.127) 4.846 6.594 ( -14.801 1.367 -1.334) 14.923 6.694 ( -0.844 3.040 -4.702) 5.662 6.869 ( -2.378 1.356 7.921) 8.381 7.041 ( 1.028 0.836 0.523) 1.425 7.077 ( -2.523 -0.780 -1.022) 2.832 7.110 ( 2.043 1.686 -0.056) 2.649 7.232 ( 0.423 3.596 1.469) 3.908 7.298 ( 2.720 -3.045 -6.660) 7.812 7.367 ( 1.494 1.095 7.042) 7.282 7.618 ( -1.745 2.723 -5.491) 6.372 7.720 ( -3.445 2.229 3.547) 5.424 7.798 ( 0.915 5.309 -3.827) 6.608 8.084 ( 1.333 2.483 -0.761) 2.919 8.127 ( -0.197 4.235 -1.958) 4.670 8.306 ( 2.918 -3.668 -2.415) 5.273 8.310 ( 1.696 -0.896 -1.148) 2.236 8.564 ( 0.266 -3.083 6.210) 6.938 8.690 ( -0.149 -12.900 -2.965) 13.237 9.098 ( 1.011 -2.559 2.782) 3.913 9.158 ( 2.034 -1.351 0.901) 2.602 9.371 ( 11.240 2.541 7.803) 13.917 9.665 ( -4.842 -11.664 5.414) 13.741 9.795 ( 2.956 -14.576 5.950) 16.019 10.139 ( -0.872 -9.322 -16.454) 18.932 10.351 ( -0.454 1.712 3.752) 4.149 10.396 ( -0.843 1.898 2.773) 3.464 10.679 ( -0.076 -8.703 1.194) 8.785 10.699 ( 1.584 -8.820 -1.542) 9.092 10.781 ( 0.777 0.843 4.823) 4.957 10.915 ( -2.539 -0.686 1.085) 2.845 11.076 ( -2.446 1.169 10.725) 11.062 11.341 ( 3.861 0.900 -15.210) 15.718 12.932 ( -4.603 1.030 10.348) 11.373 13.214 ( 3.561 2.281 -15.459) 16.027 13.353 ( -0.741 17.131 1.203) 17.189 13.438 ( -2.036 17.179 -5.086) 18.032 13.791 ( -2.459 -11.318 8.762) 14.523 13.945 ( 2.445 -10.072 -7.496) 12.791 14.270 ( -2.515 6.036 8.126) 10.430 14.390 ( 3.098 6.143 -5.964) 9.105 15.460 ( -1.394 -1.689 3.713) 4.311 15.535 ( -1.097 0.468 -2.378) 2.660 15.851 ( -3.156 -3.011 13.514) 14.200 16.096 ( 3.549 -2.727 -10.542) 11.453 16.449 ( 3.978 3.015 7.726) 9.199 16.750 ( 1.936 0.556 -11.047) 11.229 17.182 ( 0.570 -5.356 1.470) 5.583 17.233 ( 0.569 -6.341 -1.636) 6.573 24.521 ( -0.719 -0.069 2.447) 2.551 24.570 ( 0.599 -0.353 -2.387) 2.486 24.687 ( 0.472 -0.287 0.207) 0.590 24.698 ( 0.219 -0.158 -0.210) 0.342 25.455 ( -2.172 11.395 5.336) 12.769 25.534 ( 1.372 12.928 -4.587) 13.786 25.723 ( -1.605 5.193 4.286) 6.922 25.800 ( 1.092 6.015 -4.064) 7.341 27.030 ( -2.198 2.436 7.459) 8.149 27.172 ( 2.858 3.113 -8.036) 9.079 27.455 ( -2.688 -2.074 5.929) 6.832 27.572 ( -4.678 -2.535 -0.188) 5.324 28.208 ( 2.856 -3.332 14.237) 14.898 28.392 ( -3.844 -4.713 8.643) 10.568 28.724 ( -0.944 -8.339 -6.639) 10.700 28.823 ( 8.425 -9.271 -23.022) 26.210 ======================= Grid point 78 (41/52) ======================= q-point: (-0.40 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -15.339 6.826 9.153) 19.122 1.612 ( -10.653 11.007 2.650) 15.546 1.895 ( -5.154 7.800 4.688) 10.458 1.970 ( -3.347 1.985 5.542) 6.772 2.084 ( 4.585 10.861 0.653) 11.807 2.154 ( 9.276 2.742 -0.442) 9.683 2.332 ( -2.709 5.412 5.371) 8.091 2.462 ( 3.969 5.021 -2.218) 6.774 2.502 ( -9.140 3.927 8.105) 12.832 2.695 ( 0.398 -4.923 -1.717) 5.229 2.791 ( 5.113 1.168 6.297) 8.195 2.954 ( 5.312 -0.094 -8.736) 10.225 3.050 ( -2.161 -5.053 -3.102) 6.311 3.107 ( -2.300 -3.052 -2.762) 4.715 3.148 ( -9.401 1.144 -0.585) 9.489 3.330 ( -4.000 -0.748 -2.204) 4.628 3.422 ( -2.275 1.891 1.452) 3.295 3.539 ( 1.327 0.006 -3.281) 3.539 3.569 ( -7.857 4.985 10.033) 13.684 3.791 ( 0.264 5.993 -6.323) 8.716 3.830 ( -7.306 1.546 1.105) 7.549 3.916 ( -9.946 -4.313 1.436) 10.936 3.996 ( -2.801 -3.133 0.457) 4.228 4.085 ( 1.872 1.210 6.395) 6.772 4.115 ( 2.276 -4.850 3.842) 6.592 4.173 ( 0.659 10.743 1.589) 10.880 4.335 ( 3.249 4.700 -2.227) 6.132 4.403 ( -3.539 5.498 -1.389) 6.684 4.455 ( -8.863 5.936 -2.404) 10.935 4.495 ( 3.350 3.032 2.678) 5.252 4.538 ( -0.054 -0.131 10.242) 10.243 4.596 ( 8.495 3.137 2.518) 9.399 4.694 ( 5.323 5.173 13.333) 15.259 4.746 ( 2.312 3.654 -15.389) 15.985 4.832 ( 6.602 4.178 -7.208) 10.630 4.952 ( -3.689 2.774 -4.271) 6.288 5.036 ( -2.239 0.421 5.325) 5.792 5.060 ( 2.377 -0.127 -3.396) 4.147 5.211 ( 0.335 0.712 -1.885) 2.043 5.310 ( -3.100 0.025 -8.503) 9.050 5.349 ( 1.685 3.331 3.624) 5.203 5.403 ( 2.996 0.947 -8.178) 8.761 5.450 ( 3.077 5.006 4.957) 7.688 5.563 ( 1.444 -2.779 -2.034) 3.735 5.600 ( 8.853 4.346 8.088) 12.755 5.739 ( 2.191 1.954 -7.864) 8.394 5.798 ( -2.708 -0.575 4.211) 5.040 5.949 ( -2.769 -5.038 5.198) 7.750 5.968 ( -1.471 -3.074 0.903) 3.526 6.044 ( 3.646 0.701 -5.014) 6.239 6.206 ( 3.390 -2.145 3.117) 5.080 6.239 ( 1.761 -1.164 0.999) 2.335 6.278 ( 4.850 0.147 -4.374) 6.533 6.316 ( -7.432 0.234 -2.327) 7.792 6.413 ( 8.519 0.709 -7.027) 11.066 6.559 ( 7.730 0.957 1.456) 7.924 6.607 ( 5.094 3.120 1.543) 6.169 6.656 ( 0.529 1.830 -4.653) 5.027 6.858 ( -3.245 3.093 8.806) 9.882 7.017 ( -3.398 -1.293 5.300) 6.427 7.049 ( -0.579 -1.974 -2.424) 3.180 7.133 ( 0.492 3.817 -1.663) 4.193 7.239 ( 0.850 5.587 -3.152) 6.471 7.310 ( 0.458 -5.990 -0.975) 6.086 7.472 ( 3.299 0.404 4.823) 5.857 7.527 ( -2.755 4.026 -6.798) 8.368 7.698 ( 0.082 5.933 4.727) 7.586 7.812 ( 2.427 2.762 -3.882) 5.347 8.094 ( 0.651 2.645 -2.344) 3.594 8.120 ( 0.424 4.046 -1.127) 4.221 8.316 ( 0.537 -2.058 -3.907) 4.448 8.338 ( 1.026 -1.304 -2.480) 2.984 8.591 ( -0.817 -9.616 7.060) 11.957 8.666 ( -0.541 -8.068 -3.858) 8.959 9.110 ( -1.858 -3.138 4.601) 5.871 9.144 ( -2.502 -1.697 -1.062) 3.204 9.490 ( -12.621 -2.551 -0.857) 12.905 9.655 ( 8.047 -6.301 8.472) 13.275 9.832 ( -5.518 -5.345 7.571) 10.786 9.943 ( -5.127 -15.033 -7.044) 17.375 10.317 ( -3.555 0.305 4.387) 5.655 10.492 ( 6.322 -2.310 -4.221) 7.945 10.670 ( -1.274 -9.708 1.444) 9.897 10.702 ( -0.391 -7.475 -1.227) 7.585 10.849 ( -2.207 -0.721 -0.851) 2.473 10.894 ( 5.418 0.768 2.335) 5.949 11.067 ( -4.069 1.446 11.920) 12.678 11.344 ( 3.778 0.378 -15.157) 15.626 12.917 ( -3.373 2.325 12.684) 13.329 13.191 ( 2.849 2.993 -14.634) 15.206 13.349 ( -0.840 14.920 0.232) 14.945 13.434 ( 5.363 19.104 -3.308) 20.117 13.788 ( -2.312 -10.159 8.219) 13.271 13.958 ( 2.896 -11.004 -8.001) 13.910 14.263 ( -2.599 6.278 7.243) 9.931 14.415 ( 2.764 6.206 -6.537) 9.428 15.470 ( 0.364 -1.642 4.318) 4.634 15.520 ( 0.828 0.597 -2.448) 2.653 15.858 ( -3.888 -3.128 13.546) 14.436 16.093 ( 2.369 -2.648 -10.763) 11.334 16.548 ( -0.184 2.082 9.265) 9.498 16.648 ( -5.234 0.861 -12.509) 13.587 17.197 ( -0.398 -5.888 1.806) 6.171 17.215 ( -0.973 -5.587 -1.587) 5.889 24.523 ( -0.504 -0.050 2.349) 2.403 24.570 ( 0.801 -0.317 -2.457) 2.604 24.691 ( -0.473 -0.275 0.045) 0.548 24.695 ( -0.174 -0.197 -0.092) 0.278 25.444 ( -1.537 10.179 4.570) 11.263 25.562 ( 4.156 15.055 -5.563) 16.580 25.718 ( -1.151 5.180 4.208) 6.772 25.807 ( 1.730 6.069 -4.154) 7.555 27.022 ( -2.539 2.392 7.179) 7.981 27.182 ( 2.425 3.159 -7.961) 8.901 27.492 ( 1.336 -3.304 4.731) 5.923 27.529 ( 2.717 -1.397 1.819) 3.556 28.327 ( -2.251 -5.157 12.547) 13.751 28.357 ( -2.155 -4.000 8.891) 9.984 28.641 ( -1.628 -6.355 -8.710) 10.904 28.801 ( 0.509 -10.653 -17.936) 20.868 ======================= Grid point 79 (42/52) ======================= q-point: (-0.20 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -12.956 10.791 21.317) 27.180 1.428 ( -9.814 14.578 16.162) 23.875 1.817 ( -2.694 7.697 -5.470) 9.820 1.913 ( -4.047 4.270 -3.034) 6.619 2.154 ( 0.471 6.828 4.393) 8.133 2.228 ( -4.217 -0.806 0.555) 4.329 2.262 ( -6.049 4.042 21.962) 23.136 2.443 ( 4.336 5.875 -3.149) 7.952 2.648 ( 5.333 2.938 -0.844) 6.147 2.690 ( 0.594 -1.471 6.176) 6.377 2.838 ( -5.679 0.154 0.544) 5.707 2.905 ( -1.332 -0.240 -4.006) 4.229 2.950 ( -4.999 1.446 -5.304) 7.430 3.008 ( -2.163 3.654 0.331) 4.259 3.023 ( -1.317 -0.391 -1.232) 1.845 3.243 ( -1.720 -4.127 -1.409) 4.688 3.378 ( -2.680 2.122 -0.963) 3.551 3.429 ( -6.720 -2.293 -0.325) 7.108 3.523 ( -3.350 1.356 9.047) 9.742 3.693 ( -4.155 -0.487 -3.143) 5.232 3.762 ( 1.685 2.849 -8.643) 9.255 3.801 ( -0.230 -0.001 -5.165) 5.170 4.004 ( 1.291 -0.459 1.715) 2.195 4.120 ( -2.380 2.846 -1.407) 3.967 4.171 ( 3.150 -1.630 -2.125) 4.135 4.203 ( -7.636 9.237 1.444) 12.071 4.270 ( -6.112 0.616 -5.767) 8.426 4.334 ( -0.758 0.277 3.159) 3.260 4.381 ( -5.053 3.707 -5.782) 8.527 4.414 ( 3.548 6.043 8.218) 10.800 4.530 ( -3.093 -0.012 15.823) 16.123 4.667 ( 1.558 9.553 4.291) 10.588 4.803 ( -0.504 3.899 0.132) 3.934 4.815 ( -1.287 -0.083 -3.527) 3.755 4.918 ( 0.696 0.435 -1.035) 1.321 4.948 ( -4.448 2.391 -0.756) 5.107 4.995 ( 2.448 2.978 3.050) 4.916 5.102 ( 7.600 3.410 0.546) 8.348 5.170 ( 4.381 -1.512 -9.598) 10.658 5.243 ( 0.269 0.278 -0.391) 0.549 5.373 ( 1.833 1.017 -12.959) 13.127 5.397 ( 0.087 3.948 -2.653) 4.758 5.538 ( -0.048 5.262 7.744) 9.362 5.660 ( 6.085 -1.615 2.309) 6.705 5.734 ( 2.616 1.303 -6.087) 6.752 5.772 ( 5.177 0.145 -3.171) 6.073 5.863 ( 1.974 -3.116 5.024) 6.232 5.919 ( -1.478 -4.695 3.348) 5.953 5.958 ( 0.081 -0.637 -1.507) 1.638 6.118 ( 6.495 -0.924 -1.625) 6.759 6.201 ( 2.460 -2.256 -10.390) 10.913 6.322 ( 4.920 -1.339 4.274) 6.653 6.346 ( 4.050 -0.598 4.222) 5.881 6.418 ( 7.767 0.700 -1.242) 7.896 6.568 ( 3.010 2.949 0.304) 4.225 6.608 ( 1.088 4.276 -0.074) 4.413 6.697 ( 3.666 3.357 -0.983) 5.067 6.805 ( 3.067 1.059 2.839) 4.312 6.942 ( 8.597 1.348 1.581) 8.844 6.995 ( 0.922 -1.409 3.460) 3.848 7.021 ( -1.885 -1.258 6.709) 7.082 7.102 ( -1.386 4.926 -4.252) 6.653 7.222 ( 0.097 4.972 -4.824) 6.928 7.318 ( 0.229 -7.271 1.839) 7.504 7.481 ( 2.398 5.363 -2.332) 6.321 7.542 ( 2.337 2.911 5.061) 6.289 7.773 ( 4.196 7.044 -0.168) 8.201 7.817 ( -2.309 2.353 0.217) 3.304 8.096 ( 2.036 3.756 -3.620) 5.600 8.137 ( 1.623 0.817 -2.235) 2.881 8.277 ( -1.246 -0.295 -5.990) 6.125 8.340 ( 1.702 -1.874 -5.322) 5.894 8.575 ( -5.082 -5.439 -0.418) 7.456 8.627 ( -4.408 -14.483 0.617) 15.152 9.045 ( -4.954 -3.920 -0.893) 6.380 9.093 ( -3.985 1.096 0.292) 4.144 9.211 ( -5.884 0.147 0.286) 5.893 9.610 ( -11.819 -3.401 1.162) 12.353 9.786 ( 1.066 -20.353 3.011) 20.602 9.902 ( -4.483 -13.902 10.156) 17.791 10.323 ( 1.000 1.356 6.771) 6.977 10.561 ( 2.977 -2.239 -5.458) 6.609 10.654 ( -0.904 -11.159 1.532) 11.300 10.679 ( -0.731 -8.996 -0.489) 9.039 10.814 ( -0.605 -0.290 0.834) 1.070 10.979 ( 0.861 3.325 -1.163) 3.626 11.078 ( -1.022 -0.501 10.461) 10.523 11.304 ( 1.482 -0.353 -13.740) 13.824 12.934 ( -2.024 1.995 12.318) 12.642 13.172 ( 2.961 3.228 -12.238) 12.998 13.361 ( 2.009 16.412 2.217) 16.683 13.593 ( 10.580 18.997 -5.218) 22.362 13.787 ( -2.628 -7.725 6.955) 10.722 13.954 ( 0.952 -10.502 -8.331) 13.439 14.241 ( -3.006 6.392 5.831) 9.160 14.423 ( 1.771 6.229 -7.535) 9.935 15.521 ( 1.343 -1.444 1.745) 2.634 15.547 ( 3.294 -1.301 0.022) 3.542 15.841 ( -5.147 -3.235 12.557) 13.951 16.076 ( 2.089 -3.033 -10.903) 11.508 16.436 ( -6.223 3.568 -6.300) 9.547 16.536 ( -5.727 2.147 7.155) 9.413 17.179 ( -1.037 -5.484 0.018) 5.581 17.196 ( -0.849 -4.518 0.134) 4.599 24.526 ( -0.482 -0.219 2.199) 2.262 24.574 ( 0.863 -0.443 -2.490) 2.672 24.677 ( -0.576 -0.043 -0.071) 0.582 24.687 ( -0.588 -0.277 0.014) 0.650 25.447 ( -0.896 10.693 4.995) 11.836 25.622 ( 5.113 19.057 -9.965) 22.105 25.723 ( -0.833 5.465 4.084) 6.874 25.816 ( 1.451 6.122 -4.300) 7.621 27.013 ( -2.202 2.374 7.037) 7.746 27.178 ( 1.736 3.107 -8.021) 8.775 27.543 ( 3.314 -2.675 2.027) 4.717 27.722 ( 11.190 -6.145 1.663) 12.874 28.273 ( -1.897 -2.908 -3.395) 4.856 28.328 ( -10.430 -4.437 15.561) 19.252 28.628 ( 4.451 -7.392 -9.108) 12.546 28.644 ( -7.831 -10.793 -1.176) 13.386 ======================= Grid point 80 (43/52) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 6.883 13.336 16.114) 22.020 1.729 ( -0.067 10.916 5.742) 12.334 1.909 ( -5.044 7.842 2.263) 9.595 1.997 ( 4.471 10.575 -7.575) 13.755 2.146 ( -5.365 3.230 6.851) 9.282 2.287 ( -1.803 8.401 -6.019) 10.491 2.419 ( 2.870 -2.213 6.919) 7.811 2.471 ( -3.460 -1.305 -0.347) 3.714 2.632 ( 1.970 0.633 4.179) 4.663 2.730 ( -3.519 0.038 -4.393) 5.629 2.841 ( 2.949 2.683 8.305) 9.212 2.892 ( 1.017 2.509 0.767) 2.814 2.924 ( -0.687 4.645 1.533) 4.940 3.012 ( 2.614 -5.093 -2.127) 6.107 3.075 ( -1.882 1.896 -6.104) 6.663 3.166 ( -1.117 -3.914 -10.753) 11.498 3.306 ( 2.515 4.945 8.318) 9.998 3.404 ( -1.650 -6.510 4.254) 7.950 3.507 ( 3.778 0.294 2.531) 4.557 3.627 ( 3.181 -2.020 -5.244) 6.458 3.767 ( -5.313 5.305 0.271) 7.513 3.888 ( 0.121 5.091 -7.973) 9.461 3.969 ( -4.489 -0.164 3.407) 5.638 4.097 ( 2.232 2.378 -9.527) 10.070 4.178 ( -0.730 -2.792 1.664) 3.331 4.252 ( -1.221 1.129 -1.369) 2.154 4.266 ( -0.860 3.411 3.336) 4.848 4.277 ( 0.651 0.475 -0.645) 1.033 4.376 ( 0.746 5.126 2.934) 5.953 4.485 ( -6.832 -0.099 -7.296) 9.996 4.683 ( 5.771 -0.467 3.481) 6.756 4.733 ( -1.069 4.835 11.997) 12.979 4.789 ( -2.573 -2.479 -2.132) 4.160 4.814 ( -4.108 -2.333 5.679) 7.387 4.966 ( -2.028 4.537 1.173) 5.106 5.029 ( 7.279 1.839 -4.098) 8.553 5.133 ( 3.394 2.880 4.786) 6.536 5.179 ( 1.823 2.300 4.278) 5.188 5.201 ( -6.109 2.045 5.314) 8.351 5.293 ( 0.608 -0.541 -5.879) 5.935 5.469 ( 1.864 10.345 -2.024) 10.705 5.507 ( 1.557 5.849 -6.067) 8.570 5.617 ( -4.724 1.216 3.381) 5.936 5.674 ( -0.975 2.259 3.490) 4.270 5.699 ( -0.998 1.076 0.686) 1.620 5.796 ( -1.636 -1.577 6.747) 7.119 5.902 ( 1.714 -1.669 -2.397) 3.387 5.960 ( 3.571 4.302 -2.863) 6.281 6.017 ( -0.100 3.077 -8.568) 9.104 6.101 ( 1.471 -2.397 -13.059) 13.358 6.252 ( 0.726 3.355 0.802) 3.525 6.285 ( -1.044 1.517 -2.126) 2.813 6.574 ( 3.237 0.761 9.826) 10.373 6.617 ( 1.346 0.968 2.688) 3.158 6.636 ( 2.858 2.966 0.761) 4.188 6.740 ( -4.102 2.555 -3.558) 6.001 6.759 ( -0.278 0.308 1.266) 1.332 6.819 ( -0.662 1.688 -1.310) 2.237 6.905 ( -1.960 0.496 5.193) 5.572 6.929 ( 2.740 -0.050 6.527) 7.079 7.109 ( -1.917 3.807 -8.462) 9.474 7.151 ( -0.063 -0.994 -3.988) 4.110 7.288 ( -1.002 2.143 1.778) 2.959 7.333 ( 1.244 1.763 -3.432) 4.054 7.609 ( 0.739 -6.491 6.494) 9.212 7.672 ( 6.041 -1.768 0.995) 6.373 7.760 ( -5.500 -1.159 1.698) 5.872 7.827 ( -4.897 -7.231 -2.536) 9.094 8.129 ( -1.128 0.854 0.599) 1.537 8.181 ( -0.799 10.706 -0.774) 10.764 8.248 ( 5.037 7.084 -3.589) 9.404 8.282 ( 1.477 4.762 -7.722) 9.191 8.555 ( -4.387 7.311 1.868) 8.729 8.580 ( 3.832 6.870 -0.901) 7.918 8.918 ( -4.713 -0.116 1.648) 4.994 8.973 ( 2.066 1.404 -3.496) 4.296 9.298 ( 10.630 -5.544 3.561) 12.507 9.332 ( -6.807 -4.549 -0.116) 8.188 9.552 ( -4.887 -4.771 2.054) 7.132 9.584 ( 4.023 -5.703 -0.661) 7.010 10.274 ( -0.386 -13.958 4.606) 14.703 10.321 ( 0.592 -16.650 -0.413) 16.666 10.431 ( -0.828 -10.665 1.496) 10.801 10.465 ( -0.083 -11.637 -1.897) 11.790 10.781 ( 0.566 -5.195 7.870) 9.446 10.926 ( -1.209 0.844 -5.827) 6.011 11.011 ( -4.714 -4.443 11.465) 13.168 11.255 ( 5.214 -4.075 -12.479) 14.125 13.017 ( -3.165 4.326 10.946) 12.188 13.249 ( 4.503 3.370 -12.173) 13.410 13.545 ( -1.988 -9.081 6.962) 11.614 13.704 ( 1.927 -9.435 -8.564) 12.887 13.880 ( 1.041 18.224 8.271) 20.040 14.075 ( -0.402 16.137 -11.276) 19.691 14.342 ( -1.502 3.676 6.479) 7.599 14.486 ( 0.446 2.067 -7.539) 7.830 15.472 ( -3.313 -1.929 6.828) 7.830 15.590 ( 2.646 2.177 -5.409) 6.403 15.727 ( -4.175 -5.762 13.032) 14.848 15.966 ( 3.649 -5.635 -11.086) 12.960 16.526 ( -4.369 6.372 2.437) 8.101 16.569 ( 5.844 6.457 -1.852) 8.904 17.033 ( -0.122 -7.307 1.766) 7.519 17.071 ( 0.209 -6.283 -2.175) 6.652 24.528 ( -0.619 0.551 1.942) 2.112 24.567 ( 0.486 -0.083 -1.925) 1.987 24.666 ( -0.220 -0.688 0.069) 0.725 24.670 ( 0.286 -0.406 -0.304) 0.582 25.748 ( -1.073 12.532 10.243) 16.221 25.863 ( -1.349 6.375 6.111) 8.933 25.969 ( 0.064 9.777 -8.164) 12.738 26.012 ( 1.765 12.454 -14.019) 18.835 27.089 ( -1.692 4.383 7.856) 9.153 27.254 ( 2.030 4.800 -8.833) 10.255 27.515 ( -0.755 -7.196 5.824) 9.288 27.606 ( -1.727 -6.761 -2.730) 7.493 28.105 ( -7.445 -2.981 10.200) 12.975 28.284 ( 10.583 -4.412 -7.119) 13.496 28.314 ( -5.066 -7.518 8.594) 12.492 28.491 ( 4.557 -10.103 -8.408) 13.911 ======================= Grid point 81 (44/52) ======================= q-point: ( 0.20 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 1.242 4.743 -1.033) 5.011 1.810 ( -2.948 5.307 -3.486) 7.000 1.964 ( 15.086 10.294 1.759) 18.348 2.069 ( -4.682 8.278 14.111) 17.017 2.113 ( 5.236 8.358 -5.134) 11.119 2.306 ( 4.467 5.658 1.355) 7.335 2.424 ( -0.121 2.819 1.471) 3.182 2.529 ( 1.008 -3.208 2.381) 4.121 2.620 ( -1.159 4.204 -2.346) 4.952 2.789 ( 2.109 1.348 2.984) 3.894 2.853 ( -3.899 3.252 -1.634) 5.334 2.918 ( -3.198 4.518 3.409) 6.501 2.958 ( 1.876 4.936 -2.222) 5.729 3.022 ( 3.741 2.186 1.459) 4.572 3.084 ( 1.490 -5.094 0.872) 5.379 3.138 ( 8.776 -5.863 -2.809) 10.922 3.361 ( -3.448 -5.400 1.525) 6.586 3.456 ( 7.581 1.125 1.959) 7.911 3.549 ( 4.066 3.916 -18.769) 19.600 3.646 ( 5.542 -1.144 1.573) 5.874 3.792 ( 2.528 4.021 4.354) 6.443 3.902 ( 4.778 -0.523 3.606) 6.009 3.930 ( 0.100 3.011 1.799) 3.509 4.098 ( 0.286 2.201 2.537) 3.371 4.183 ( -5.805 -0.807 -1.579) 6.070 4.207 ( 4.263 3.063 2.178) 5.683 4.279 ( 1.054 -2.116 1.202) 2.652 4.320 ( 4.872 1.418 1.785) 5.378 4.423 ( 7.577 3.395 0.111) 8.303 4.530 ( 3.229 0.622 -1.018) 3.443 4.664 ( -6.600 -0.422 11.180) 12.990 4.749 ( -4.616 5.942 0.314) 7.531 4.840 ( 5.439 -2.744 -2.979) 6.781 4.846 ( 5.112 1.935 4.684) 7.199 4.965 ( -2.424 -0.685 0.493) 2.567 5.052 ( -7.042 1.605 7.785) 10.619 5.108 ( -3.828 0.945 -4.731) 6.159 5.120 ( 3.011 5.177 -6.837) 9.089 5.213 ( -3.481 3.280 1.810) 5.114 5.327 ( -0.153 5.127 2.337) 5.637 5.360 ( -5.962 7.907 -4.456) 10.859 5.503 ( -6.697 -2.051 7.332) 10.140 5.542 ( 3.547 13.177 -6.769) 15.233 5.629 ( -6.636 1.576 3.750) 7.783 5.706 ( 1.655 -0.888 4.121) 4.529 5.780 ( -3.373 -1.736 0.567) 3.835 5.840 ( -6.886 1.186 8.712) 11.168 5.929 ( -3.370 -2.366 -4.992) 6.471 5.999 ( 1.787 -1.220 -6.363) 6.721 6.063 ( 2.368 4.166 -9.167) 10.344 6.144 ( -3.039 4.398 -4.633) 7.074 6.328 ( -1.110 2.198 0.417) 2.497 6.460 ( -7.299 -1.256 -1.867) 7.638 6.526 ( -8.069 2.266 -3.874) 9.233 6.596 ( -6.293 3.960 -1.359) 7.559 6.730 ( -2.010 -3.951 -0.128) 4.435 6.738 ( 0.084 4.189 0.879) 4.281 6.818 ( -0.619 -4.093 4.379) 6.025 6.894 ( -1.779 0.966 3.436) 3.988 7.029 ( 1.218 3.452 4.568) 5.854 7.094 ( 2.433 2.744 -2.268) 4.312 7.114 ( -2.977 -0.212 -0.712) 3.068 7.229 ( -3.374 -0.768 -1.418) 3.740 7.303 ( -0.375 1.063 -4.089) 4.242 7.528 ( -6.648 3.750 -0.258) 7.637 7.709 ( 0.581 -0.205 -5.044) 5.082 7.772 ( -1.544 -0.367 6.247) 6.445 7.802 ( 1.885 -9.834 5.091) 11.232 8.117 ( 0.733 -0.065 -2.111) 2.235 8.174 ( 0.150 9.522 -0.018) 9.523 8.282 ( 2.727 3.585 -5.399) 7.032 8.302 ( 0.963 3.048 -1.914) 3.726 8.513 ( 0.351 5.877 0.140) 5.889 8.636 ( 1.209 9.280 -1.131) 9.427 8.965 ( 6.629 1.108 6.130) 9.096 9.102 ( 8.743 -4.254 -0.611) 9.742 9.184 ( -3.432 1.479 -2.808) 4.675 9.442 ( 1.912 -6.332 0.774) 6.659 9.533 ( 0.892 -4.366 2.008) 4.888 9.766 ( 11.749 -9.795 -2.704) 15.534 10.279 ( -0.634 -14.730 1.797) 14.853 10.324 ( -0.584 -14.130 0.094) 14.142 10.437 ( 1.107 -10.088 1.157) 10.214 10.468 ( 1.031 -9.949 -0.237) 10.005 10.781 ( -3.837 -6.312 2.274) 7.729 10.896 ( -0.513 1.936 -0.622) 2.097 10.997 ( -1.849 -4.006 11.776) 12.576 11.298 ( 5.403 -4.271 -13.024) 14.733 13.008 ( -3.638 4.010 10.492) 11.806 13.271 ( 4.401 3.007 -13.389) 14.411 13.543 ( -2.091 -10.023 6.987) 12.395 13.695 ( 1.715 -7.205 -7.252) 10.366 13.859 ( -5.065 19.491 1.876) 20.225 13.984 ( -2.864 16.154 -4.484) 17.008 14.360 ( -1.451 2.734 7.791) 8.383 14.461 ( 1.443 2.040 -6.124) 6.614 15.443 ( -2.901 -0.880 6.824) 7.467 15.593 ( 0.091 1.858 -4.125) 4.525 15.735 ( -1.897 -5.397 11.938) 13.238 15.992 ( 4.549 -4.863 -10.827) 12.711 16.487 ( -0.093 7.545 2.448) 7.932 16.708 ( 7.457 2.121 -4.920) 9.182 17.038 ( -0.312 -7.215 0.929) 7.281 17.068 ( 0.608 -6.967 -1.227) 7.100 24.527 ( -0.572 0.643 2.094) 2.264 24.567 ( 0.580 0.069 -1.832) 1.923 24.667 ( 0.266 -0.646 0.164) 0.718 24.680 ( 0.732 -0.552 -0.367) 0.988 25.761 ( -3.645 12.734 10.484) 16.892 25.860 ( -2.152 7.095 4.313) 8.578 25.890 ( -1.356 12.602 -8.547) 15.287 25.969 ( 0.183 7.949 -6.609) 10.339 27.100 ( -1.808 4.424 8.079) 9.387 27.252 ( 2.778 4.942 -9.124) 10.742 27.453 ( -5.921 -5.089 5.319) 9.447 27.566 ( -2.231 -5.202 -0.072) 5.661 28.061 ( -1.735 -1.726 9.492) 9.802 28.283 ( -3.034 -6.686 8.095) 10.928 28.470 ( 10.229 -9.539 -12.336) 18.649 28.538 ( 5.171 -10.205 -8.981) 14.544 ======================= Grid point 82 (45/52) ======================= q-point: ( 0.40 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( -0.564 1.956 0.903) 2.227 1.770 ( 1.665 0.828 -6.161) 6.435 2.046 ( -3.471 4.467 10.379) 11.821 2.151 ( 2.311 3.189 -3.564) 5.311 2.203 ( 5.742 12.413 0.127) 13.677 2.351 ( -6.322 11.054 2.829) 13.045 2.460 ( 2.553 12.079 6.726) 14.059 2.546 ( 1.046 2.228 -0.951) 2.638 2.617 ( 1.345 0.846 -4.191) 4.482 2.687 ( -4.010 1.041 -1.342) 4.355 2.795 ( -5.999 0.781 7.421) 9.575 2.864 ( -0.638 -2.452 2.288) 3.414 2.947 ( 0.669 3.089 -0.361) 3.181 3.093 ( 1.366 0.216 -9.092) 9.197 3.159 ( 5.331 4.786 2.006) 7.439 3.333 ( 5.863 -7.476 -4.208) 10.391 3.381 ( 2.990 -7.366 6.589) 10.325 3.534 ( 7.338 2.963 -9.284) 12.200 3.719 ( 7.380 6.481 2.709) 10.189 3.786 ( 6.117 -2.091 1.494) 6.635 3.821 ( -0.725 0.782 -2.226) 2.468 3.940 ( 1.370 -3.742 -1.995) 4.457 4.026 ( 4.449 5.170 -2.062) 7.125 4.040 ( -6.154 -1.566 -1.910) 6.631 4.223 ( -6.310 0.035 8.365) 10.478 4.260 ( 9.763 -0.439 -2.667) 10.130 4.407 ( 6.693 -0.062 8.986) 11.205 4.477 ( -2.857 3.505 7.102) 8.420 4.492 ( 2.527 -0.721 4.860) 5.525 4.568 ( 0.405 8.914 -4.683) 10.078 4.629 ( -4.336 6.468 -5.637) 9.613 4.680 ( 0.860 0.138 2.032) 2.211 4.691 ( -5.467 3.856 1.374) 6.830 4.881 ( 1.612 -1.050 -0.579) 2.009 4.925 ( -9.070 10.010 1.148) 13.557 4.995 ( -1.436 -1.781 -4.179) 4.764 5.024 ( 1.224 4.611 7.230) 8.662 5.103 ( 3.539 1.645 -4.705) 6.113 5.202 ( -4.782 6.917 8.156) 11.714 5.219 ( 1.257 3.888 3.098) 5.127 5.405 ( 3.551 -4.664 1.475) 6.045 5.442 ( -0.066 2.424 3.559) 4.307 5.541 ( -3.950 0.949 8.732) 9.631 5.594 ( 1.067 7.556 -5.561) 9.442 5.640 ( -5.891 1.572 -4.510) 7.584 5.758 ( -4.157 0.154 11.324) 12.064 5.798 ( 1.050 -2.605 4.549) 5.346 5.899 ( 0.181 -0.750 1.656) 1.827 5.974 ( 0.878 2.498 -9.585) 9.944 6.035 ( -0.461 1.539 -3.847) 4.169 6.143 ( 5.924 7.293 -5.567) 10.921 6.284 ( -1.636 1.266 -2.289) 3.086 6.336 ( -6.111 0.424 -2.836) 6.750 6.397 ( 2.584 -1.237 -6.930) 7.499 6.456 ( -6.811 2.452 -4.195) 8.367 6.623 ( -10.875 2.435 -6.758) 13.033 6.665 ( -4.282 1.412 -2.783) 5.299 6.721 ( -6.380 -0.886 -1.989) 6.742 6.838 ( -1.610 -6.267 8.594) 10.758 7.010 ( -0.960 -4.433 -1.936) 4.931 7.060 ( -1.560 3.952 6.305) 7.603 7.181 ( 5.100 3.802 0.030) 6.362 7.263 ( -1.724 0.804 -3.006) 3.558 7.284 ( 4.947 0.701 -2.159) 5.443 7.448 ( -1.699 3.595 5.025) 6.408 7.677 ( -0.266 1.013 -8.754) 8.816 7.762 ( -2.108 0.785 6.482) 6.861 7.835 ( 0.346 -5.966 -0.628) 6.009 8.130 ( 0.675 0.970 0.560) 1.308 8.186 ( 1.590 4.744 -1.771) 5.307 8.295 ( -0.849 3.397 0.980) 3.636 8.328 ( 2.982 3.215 -3.624) 5.688 8.540 ( 1.505 5.236 0.068) 5.449 8.627 ( -0.556 8.500 -2.528) 8.885 9.080 ( 0.238 -1.067 3.331) 3.505 9.133 ( 1.317 -0.460 -0.677) 1.551 9.347 ( 7.530 -3.718 5.662) 10.128 9.464 ( 0.815 -4.237 0.094) 4.316 9.592 ( 3.816 -5.130 4.427) 7.777 9.888 ( 1.263 -12.562 -7.487) 14.679 10.266 ( -0.010 -14.285 -0.933) 14.316 10.298 ( -3.120 -10.010 1.850) 10.647 10.488 ( 1.864 -9.582 -0.213) 9.764 10.493 ( 1.584 -10.350 -0.531) 10.484 10.731 ( -0.421 -3.934 3.656) 5.387 10.850 ( -3.404 -1.088 0.518) 3.611 11.051 ( -0.816 -2.530 11.114) 11.427 11.319 ( 4.121 -3.356 -13.507) 14.515 12.995 ( -3.586 4.613 11.545) 12.939 13.268 ( 3.063 2.568 -13.735) 14.305 13.546 ( -1.262 -9.337 6.072) 11.209 13.679 ( 0.094 -2.757 -4.870) 5.597 13.816 ( 1.564 15.659 -1.497) 15.808 13.882 ( -4.175 16.216 -2.905) 16.995 14.366 ( -2.042 2.623 7.225) 7.953 14.472 ( 2.454 1.384 -5.074) 5.804 15.434 ( -1.899 -0.172 6.940) 7.197 15.567 ( 0.223 2.666 -4.290) 5.056 15.764 ( -2.478 -4.656 12.238) 13.327 16.015 ( 3.613 -4.887 -11.135) 12.685 16.544 ( 2.468 5.776 5.749) 8.515 16.768 ( 1.592 1.297 -8.273) 8.524 17.038 ( -0.130 -7.701 1.243) 7.802 17.075 ( 0.413 -7.754 -1.189) 7.856 24.528 ( -0.514 0.810 2.152) 2.356 24.569 ( 0.590 0.265 -1.859) 1.968 24.676 ( 0.300 -0.736 0.395) 0.887 24.690 ( 0.340 -0.604 -0.550) 0.885 25.728 ( -4.354 12.224 8.248) 15.376 25.830 ( 1.266 11.321 -4.402) 12.213 25.859 ( -1.340 8.103 2.683) 8.641 25.949 ( 1.313 7.011 -5.188) 8.820 27.103 ( -2.517 4.304 8.247) 9.637 27.262 ( 3.260 5.041 -9.137) 10.933 27.395 ( -2.898 -3.460 6.418) 7.846 27.507 ( -1.930 -3.133 -2.353) 4.368 28.125 ( 0.978 -3.785 12.147) 12.761 28.266 ( -2.775 -6.537 6.238) 9.452 28.519 ( 1.353 -9.359 -7.036) 11.787 28.596 ( 5.561 -10.651 -15.652) 19.732 ======================= Grid point 83 (46/52) ======================= q-point: (-0.40 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( -9.188 5.022 6.051) 12.094 1.776 ( -0.295 2.541 -3.766) 4.553 2.019 ( -3.987 3.865 7.471) 9.308 2.125 ( -10.975 11.609 10.164) 18.935 2.201 ( 4.325 4.390 -3.768) 7.223 2.370 ( 6.538 12.188 -0.532) 13.842 2.491 ( -8.414 6.275 4.456) 11.403 2.568 ( 0.413 4.004 4.293) 5.885 2.586 ( 0.924 5.271 -1.132) 5.469 2.631 ( 2.018 -0.655 -3.586) 4.167 2.820 ( 2.480 -0.204 3.686) 4.447 2.878 ( 1.338 -6.427 2.959) 7.201 3.002 ( 3.753 0.918 -5.758) 6.934 3.069 ( 2.247 -0.001 -9.122) 9.394 3.191 ( -5.448 4.897 4.217) 8.452 3.311 ( -7.605 -2.288 -3.657) 8.743 3.426 ( -0.490 -2.094 -2.351) 3.186 3.497 ( -7.193 -1.200 0.123) 7.294 3.675 ( -10.021 4.017 1.424) 10.890 3.761 ( -6.051 -5.204 1.218) 8.074 3.859 ( -2.224 1.017 2.734) 3.668 3.908 ( -5.452 -0.963 1.144) 5.654 3.950 ( 0.610 1.173 -4.385) 4.580 4.065 ( 5.277 0.992 0.601) 5.403 4.172 ( 1.127 5.174 8.299) 9.844 4.353 ( -1.452 0.238 -5.326) 5.525 4.442 ( -5.722 -2.307 4.152) 7.437 4.458 ( -3.386 -1.921 8.976) 9.784 4.503 ( 3.854 9.146 0.867) 9.962 4.560 ( -3.166 2.555 -0.551) 4.106 4.601 ( 3.321 3.664 -0.330) 4.956 4.703 ( 4.731 5.210 2.067) 7.335 4.779 ( 5.656 2.536 -4.522) 7.672 4.856 ( -4.786 5.521 3.471) 8.089 4.868 ( 1.308 3.000 -4.373) 5.461 5.023 ( 3.854 0.959 -6.482) 7.602 5.056 ( -1.622 0.509 2.027) 2.646 5.114 ( 8.160 3.391 -5.286) 10.297 5.287 ( -2.751 2.240 9.310) 9.963 5.330 ( -0.705 2.735 3.646) 4.612 5.378 ( -3.489 0.075 -3.379) 4.857 5.443 ( 2.555 1.225 -3.784) 4.727 5.522 ( 1.021 2.125 1.485) 2.786 5.575 ( 3.442 6.088 -1.907) 7.249 5.618 ( 2.466 -2.331 8.644) 9.286 5.769 ( -3.333 2.774 8.801) 9.812 5.834 ( 4.737 4.086 -5.857) 8.570 5.873 ( -1.540 -1.442 -0.390) 2.145 5.974 ( 1.708 4.681 -2.161) 5.431 6.074 ( 4.408 1.159 -6.459) 7.905 6.202 ( 0.386 -0.400 2.945) 2.997 6.244 ( -1.960 2.968 -4.131) 5.451 6.287 ( 4.236 2.868 0.100) 5.117 6.345 ( -1.021 2.263 -8.604) 8.955 6.445 ( 10.815 1.876 -6.328) 12.670 6.552 ( 12.171 -0.828 1.293) 12.267 6.624 ( -1.644 -2.372 3.437) 4.488 6.685 ( 1.580 0.552 -0.065) 1.675 6.853 ( -2.156 -5.872 10.442) 12.173 6.979 ( -0.211 -4.636 -3.552) 5.845 7.032 ( -4.917 6.105 7.261) 10.685 7.215 ( -2.110 -1.375 -0.076) 2.519 7.269 ( 4.306 6.745 -4.824) 9.343 7.323 ( 0.800 1.483 -5.531) 5.782 7.493 ( 0.932 1.027 7.500) 7.627 7.624 ( 1.154 2.149 -9.006) 9.330 7.774 ( 0.078 -1.810 5.912) 6.183 7.835 ( 0.908 -3.283 -2.224) 4.068 8.143 ( 0.414 4.761 -0.154) 4.782 8.211 ( 1.558 -0.308 -2.352) 2.838 8.266 ( -2.662 5.264 2.145) 6.277 8.343 ( 0.778 2.378 -5.392) 5.944 8.547 ( -1.516 5.242 0.957) 5.540 8.612 ( 1.052 8.127 -2.223) 8.491 9.084 ( -1.813 0.210 3.540) 3.983 9.123 ( -1.679 -0.289 -0.746) 1.859 9.399 ( -3.658 -4.326 2.893) 6.361 9.473 ( -0.400 -8.549 -2.266) 8.853 9.715 ( -1.071 -6.153 5.569) 8.368 9.732 ( -7.256 -5.614 -6.002) 10.963 10.237 ( -2.570 -10.278 2.504) 10.886 10.294 ( 1.866 -15.239 1.204) 15.399 10.480 ( -1.532 -9.221 0.363) 9.355 10.506 ( -0.381 -11.601 -1.115) 11.661 10.737 ( -3.329 -5.883 3.040) 7.412 10.862 ( 5.769 -0.735 -0.188) 5.819 11.065 ( -3.893 -1.462 10.779) 11.553 11.307 ( 2.132 -3.812 -13.564) 14.250 12.998 ( -2.980 5.087 12.562) 13.877 13.250 ( 2.856 2.591 -13.260) 13.809 13.551 ( -1.620 -8.344 5.462) 10.104 13.678 ( 2.639 -2.090 -4.221) 5.399 13.783 ( -2.272 12.947 -0.549) 13.156 13.911 ( 7.037 16.920 -3.993) 18.755 14.366 ( -1.556 3.021 5.747) 6.677 14.496 ( 2.754 1.270 -5.852) 6.591 15.444 ( -1.033 -0.127 7.350) 7.424 15.559 ( 1.566 3.278 -5.374) 6.487 15.768 ( -4.274 -4.985 13.242) 14.781 16.010 ( 2.250 -5.172 -11.414) 12.731 16.613 ( -0.148 4.059 7.211) 8.276 16.685 ( -4.236 2.851 -8.604) 10.005 17.041 ( -0.688 -8.076 1.493) 8.241 17.074 ( 0.552 -7.175 -1.583) 7.368 24.530 ( -0.536 0.817 2.032) 2.255 24.569 ( 0.540 0.243 -1.939) 2.027 24.679 ( -0.273 -0.765 0.407) 0.908 24.687 ( -0.263 -0.579 -0.578) 0.859 25.696 ( -2.567 11.698 6.885) 13.814 25.844 ( -1.443 5.703 5.347) 7.950 25.892 ( 6.852 13.378 -7.960) 17.008 25.965 ( 3.107 7.918 -5.798) 10.294 27.094 ( -2.792 4.209 7.976) 9.441 27.273 ( 2.606 5.010 -8.839) 10.489 27.405 ( 0.099 -4.542 6.420) 7.864 27.492 ( 2.217 -1.854 -1.889) 3.453 28.200 ( -1.961 -5.978 12.461) 13.959 28.245 ( -1.835 -5.948 5.014) 7.993 28.479 ( -0.619 -7.736 -7.164) 10.562 28.557 ( -1.475 -10.684 -12.391) 16.428 ======================= Grid point 84 (47/52) ======================= q-point: (-0.20 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -6.021 11.112 13.063) 18.176 1.724 ( -3.363 10.473 5.546) 12.319 1.983 ( -3.495 5.272 5.900) 8.649 2.019 ( -3.224 6.526 0.301) 7.285 2.226 ( -4.398 7.484 -1.106) 8.751 2.305 ( -3.589 4.916 7.443) 9.614 2.465 ( -1.897 10.275 -1.408) 10.543 2.540 ( -2.546 -1.733 1.471) 3.413 2.599 ( 0.792 1.272 -1.042) 1.825 2.723 ( 3.266 1.912 3.103) 4.894 2.876 ( -1.270 -5.078 1.521) 5.451 2.916 ( -2.228 0.364 -1.407) 2.660 2.953 ( -3.670 3.389 -2.193) 5.455 3.033 ( -5.130 -0.130 2.087) 5.540 3.080 ( 0.134 -0.772 -1.818) 1.979 3.160 ( 3.376 3.140 -3.170) 5.595 3.350 ( -8.224 0.920 -6.748) 10.678 3.396 ( -2.730 -5.840 0.543) 6.469 3.493 ( 0.766 -1.512 -0.516) 1.772 3.646 ( -6.393 -1.648 3.837) 7.636 3.847 ( -2.410 3.126 5.908) 7.105 3.885 ( 1.642 5.668 -1.697) 6.140 3.944 ( 1.986 -2.702 0.948) 3.485 4.161 ( 2.029 -0.322 -5.205) 5.596 4.196 ( -0.059 0.700 -4.362) 4.418 4.271 ( -6.153 2.544 4.727) 8.166 4.351 ( -4.103 1.941 -2.094) 4.999 4.378 ( -7.606 3.663 -1.968) 8.669 4.471 ( -9.114 -0.259 -7.330) 11.699 4.519 ( 4.020 2.205 8.511) 9.668 4.593 ( 1.073 7.761 -2.189) 8.135 4.751 ( -2.485 -0.056 -0.488) 2.533 4.846 ( 8.169 -0.569 3.738) 9.001 4.873 ( -1.046 3.360 3.667) 5.082 4.911 ( -3.567 0.271 7.011) 7.870 5.036 ( 2.241 2.162 -1.270) 3.363 5.058 ( -9.772 4.752 0.369) 10.872 5.134 ( 0.536 -1.504 -1.633) 2.284 5.199 ( 4.714 2.513 -3.886) 6.606 5.320 ( 0.407 -4.391 -3.450) 5.599 5.388 ( 4.657 12.100 5.073) 13.922 5.495 ( 1.312 4.466 -1.318) 4.838 5.628 ( 3.354 2.119 1.231) 4.153 5.652 ( 1.280 -1.018 3.395) 3.768 5.706 ( 0.505 3.684 6.660) 7.628 5.746 ( 4.666 -0.937 -5.798) 7.501 5.842 ( -0.856 -0.778 1.280) 1.725 5.932 ( 4.141 7.185 -4.430) 9.402 6.010 ( 3.113 2.461 -3.181) 5.086 6.110 ( 4.394 -2.874 -8.135) 9.682 6.182 ( 1.693 4.995 -8.796) 10.256 6.324 ( 5.322 1.570 1.651) 5.789 6.359 ( 4.872 1.390 3.125) 5.953 6.461 ( 10.971 3.120 -1.663) 11.527 6.610 ( -0.018 -1.101 1.396) 1.778 6.696 ( 1.602 2.726 2.670) 4.139 6.725 ( 9.438 0.539 1.827) 9.628 6.810 ( 2.200 -4.189 6.213) 7.810 6.871 ( -1.990 -2.997 9.674) 10.322 6.966 ( -2.920 -0.107 -0.045) 2.922 7.053 ( 7.718 4.229 1.910) 9.005 7.220 ( 5.235 -1.845 -0.597) 5.583 7.242 ( -1.053 6.386 -11.266) 12.993 7.311 ( -0.322 3.451 -2.287) 4.152 7.541 ( 1.690 -1.289 5.041) 5.471 7.609 ( -1.039 3.216 0.042) 3.380 7.839 ( 0.049 -5.681 -0.103) 5.682 7.847 ( 3.583 -7.408 -1.117) 8.304 8.148 ( 0.163 5.784 -0.706) 5.829 8.195 ( -1.900 0.718 0.416) 2.073 8.232 ( -0.971 6.911 -1.147) 7.072 8.309 ( 0.115 2.986 -7.306) 7.894 8.529 ( 0.809 6.071 -0.753) 6.171 8.613 ( -1.348 8.635 0.755) 8.772 9.038 ( -4.801 2.205 0.803) 5.344 9.109 ( 2.347 -4.710 2.138) 5.680 9.167 ( -15.343 1.056 -5.964) 16.495 9.423 ( -3.165 -8.427 1.441) 9.116 9.571 ( -1.585 -3.850 -1.258) 4.349 9.690 ( -7.721 -6.069 5.009) 11.024 10.240 ( 0.473 -11.887 4.387) 12.680 10.318 ( -0.186 -16.875 0.977) 16.904 10.450 ( -1.401 -10.924 0.247) 11.016 10.483 ( -0.662 -11.269 -1.520) 11.390 10.725 ( 0.285 -3.579 5.154) 6.282 10.960 ( 2.873 -1.721 -3.767) 5.041 11.029 ( -4.918 -3.232 12.000) 13.366 11.260 ( 1.447 -3.774 -12.874) 13.494 13.011 ( -2.806 5.010 12.246) 13.525 13.238 ( 3.352 3.070 -12.373) 13.182 13.547 ( -1.814 -7.983 5.829) 10.050 13.707 ( 2.581 -9.862 -7.601) 12.716 13.791 ( 2.268 18.878 4.604) 19.563 14.045 ( 7.388 15.167 -5.951) 17.890 14.359 ( -2.013 4.147 3.647) 5.878 14.507 ( 1.754 1.662 -7.021) 7.425 15.473 ( -0.767 -1.468 7.508) 7.688 15.567 ( 2.474 2.893 -5.917) 7.036 15.746 ( -4.981 -5.450 13.218) 15.140 15.980 ( 1.568 -5.821 -11.352) 12.853 16.552 ( -2.980 7.064 -4.418) 8.849 16.604 ( -4.184 4.311 5.383) 8.066 17.032 ( -0.637 -7.735 1.208) 7.854 17.077 ( 0.423 -6.554 -1.587) 6.757 24.529 ( -0.585 0.660 1.878) 2.075 24.568 ( 0.469 0.009 -1.967) 2.022 24.671 ( -0.409 -0.540 -0.015) 0.678 24.676 ( -0.486 -0.650 -0.199) 0.836 25.707 ( -0.630 11.922 7.964) 14.351 25.851 ( -0.983 5.978 5.724) 8.335 25.975 ( 3.315 8.862 -5.956) 11.180 26.009 ( 6.596 13.347 -14.110) 20.512 27.085 ( -2.372 4.272 7.786) 9.192 27.266 ( 1.766 4.760 -8.516) 9.915 27.459 ( 2.143 -5.021 3.688) 6.588 27.577 ( 5.130 -6.148 0.224) 8.010 28.187 ( -3.424 -4.876 7.182) 9.332 28.221 ( -4.249 -4.846 5.370) 8.389 28.418 ( -6.885 -8.520 -0.910) 10.992 28.455 ( 3.242 -8.419 -8.847) 12.636 ======================= Grid point 85 (48/52) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 4.843 8.516 8.152) 12.745 1.892 ( 2.243 3.774 2.195) 4.908 2.018 ( -6.892 1.665 2.966) 7.686 2.077 ( 5.401 -2.387 -1.399) 6.069 2.318 ( -7.029 9.079 8.554) 14.318 2.381 ( -0.399 5.027 3.224) 5.986 2.414 ( -0.738 0.871 -2.948) 3.162 2.504 ( -5.608 -4.409 3.173) 7.808 2.678 ( 4.457 6.596 -6.682) 10.393 2.687 ( -1.446 2.130 -1.497) 2.978 2.796 ( 3.306 -9.348 3.061) 10.377 2.889 ( 0.610 -6.571 -7.114) 9.703 2.942 ( 1.903 5.087 6.687) 8.614 3.006 ( -3.336 0.461 2.302) 4.079 3.127 ( 3.600 4.095 -1.133) 5.569 3.210 ( 3.027 5.188 -0.927) 6.078 3.267 ( 6.874 -6.070 5.207) 10.546 3.311 ( 1.307 -4.267 -1.571) 4.731 3.517 ( -5.517 3.303 -6.697) 9.284 3.612 ( -2.267 -1.525 -7.210) 7.711 3.845 ( -3.349 3.068 4.786) 6.598 3.928 ( -2.059 -2.884 7.533) 8.325 4.027 ( 1.288 7.132 -6.701) 9.870 4.118 ( 1.909 -1.550 -0.169) 2.464 4.144 ( -0.192 1.047 -2.825) 3.019 4.219 ( -0.107 -3.856 4.978) 6.297 4.299 ( -0.969 1.914 -5.712) 6.102 4.319 ( -2.991 0.004 -8.921) 9.409 4.451 ( 0.375 3.143 5.089) 5.993 4.526 ( -2.154 1.314 2.618) 3.636 4.586 ( -1.177 -4.980 -5.144) 7.256 4.668 ( 0.190 -7.052 -4.545) 8.392 4.756 ( -1.337 0.644 0.977) 1.777 4.779 ( -0.055 -1.255 1.299) 1.807 5.056 ( -2.435 1.825 1.559) 3.420 5.064 ( 2.792 1.066 1.023) 3.159 5.183 ( 0.207 1.768 9.994) 10.152 5.203 ( 1.397 -0.035 11.958) 12.039 5.261 ( 1.136 2.032 3.782) 4.441 5.289 ( -0.704 0.824 4.402) 4.533 5.587 ( 1.303 4.743 1.011) 5.022 5.656 ( -0.308 2.148 -1.404) 2.584 5.725 ( -5.010 6.745 3.650) 9.161 5.727 ( 3.223 3.340 0.794) 4.708 5.749 ( -2.182 2.624 -7.779) 8.495 5.833 ( 0.504 -2.423 2.885) 3.802 5.847 ( 0.491 1.682 -5.843) 6.101 5.934 ( -0.730 -6.135 -5.361) 8.180 6.056 ( -2.470 3.750 -1.829) 4.849 6.145 ( 2.115 1.984 -1.910) 3.473 6.316 ( -0.054 -1.662 3.499) 3.874 6.351 ( 2.461 1.060 0.433) 2.715 6.517 ( -2.345 4.120 0.308) 4.751 6.610 ( 2.310 -0.255 -4.149) 4.756 6.697 ( -4.016 -3.725 0.404) 5.493 6.721 ( 2.322 -2.783 -1.155) 3.804 6.824 ( 7.815 7.332 3.879) 11.397 6.873 ( 1.626 2.218 -0.030) 2.751 7.004 ( -0.699 8.605 1.596) 8.779 7.007 ( 4.669 6.170 4.121) 8.766 7.141 ( -2.431 -1.709 -7.479) 8.048 7.154 ( -1.890 0.054 -4.765) 5.126 7.255 ( -6.258 -7.477 1.765) 9.909 7.283 ( -0.752 -7.110 -1.317) 7.270 7.492 ( -5.611 1.181 7.740) 9.633 7.602 ( 2.693 -3.064 -0.817) 4.160 7.649 ( 0.711 -4.054 -1.078) 4.255 7.698 ( 5.364 -4.646 -4.481) 8.393 8.228 ( -3.289 6.904 5.235) 9.267 8.325 ( 0.083 0.246 1.967) 1.984 8.405 ( 1.408 6.273 -6.082) 8.850 8.453 ( -1.219 4.147 -5.150) 6.723 8.708 ( 1.544 6.532 -0.104) 6.713 8.749 ( 0.532 6.186 -3.460) 7.108 8.924 ( 3.616 0.120 2.359) 4.319 8.980 ( -3.583 -2.173 -2.124) 4.698 9.294 ( 2.093 6.280 2.740) 7.165 9.330 ( -1.126 3.986 -0.699) 4.201 9.568 ( -2.239 5.271 -0.065) 5.728 9.585 ( 2.339 3.792 -1.531) 4.712 9.939 ( -0.247 -12.646 1.797) 12.776 9.958 ( 1.044 -13.939 -0.145) 13.979 10.124 ( -1.120 -14.655 0.331) 14.702 10.130 ( 1.321 -15.145 -0.402) 15.208 10.776 ( -3.906 4.023 12.851) 14.021 10.893 ( -4.813 -5.984 13.056) 15.147 11.010 ( 2.949 5.789 -10.681) 12.502 11.143 ( 4.396 -6.149 -12.134) 14.296 13.136 ( -3.165 6.544 9.652) 12.083 13.271 ( -0.236 -4.084 1.908) 4.514 13.424 ( 1.356 0.775 -5.092) 5.326 13.526 ( 3.107 -7.013 -9.548) 12.247 14.191 ( 0.320 9.838 6.613) 11.858 14.283 ( 0.331 2.099 0.682) 2.232 14.412 ( -1.250 4.066 -2.356) 4.863 14.487 ( 0.167 -1.911 -6.428) 6.708 15.480 ( -4.022 2.984 10.940) 12.032 15.587 ( -4.582 -6.252 12.584) 14.780 15.682 ( 3.636 5.744 -8.913) 11.209 15.826 ( 4.062 -7.114 -10.926) 13.656 16.685 ( -2.119 8.192 2.480) 8.818 16.734 ( 2.408 8.427 -2.434) 9.096 16.865 ( -0.559 -8.194 2.448) 8.570 16.917 ( 0.861 -8.081 -2.724) 8.571 24.548 ( -0.391 1.156 1.112) 1.651 24.566 ( 0.126 -0.302 -0.554) 0.643 24.653 ( -0.040 -0.291 -0.168) 0.338 24.658 ( 0.258 -0.601 -0.583) 0.876 25.941 ( -1.227 5.082 10.443) 11.679 25.965 ( -1.479 2.456 8.634) 9.098 26.135 ( 0.899 5.704 -9.117) 10.792 26.179 ( 0.989 2.416 -13.270) 13.524 27.197 ( -1.673 5.632 8.147) 10.044 27.314 ( -0.208 -3.237 2.680) 4.207 27.405 ( 0.241 1.163 -3.842) 4.021 27.487 ( 0.951 -4.681 -5.563) 7.333 28.072 ( -4.367 0.553 9.005) 10.024 28.141 ( -1.318 -5.705 6.228) 8.548 28.263 ( 3.343 0.136 -5.913) 6.794 28.319 ( 3.622 -5.401 -7.170) 9.680 ======================= Grid point 86 (49/52) ======================= q-point: ( 0.20 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( -3.019 3.856 -1.444) 5.105 1.835 ( -6.270 -2.098 -1.106) 6.704 2.103 ( 4.094 4.623 1.982) 6.485 2.170 ( 0.127 -1.100 0.545) 1.234 2.310 ( 2.754 9.277 8.261) 12.724 2.421 ( 1.562 -1.383 -1.699) 2.690 2.480 ( 6.554 6.541 8.620) 12.651 2.566 ( 7.447 1.166 0.585) 7.561 2.657 ( 0.289 4.361 -2.781) 5.180 2.773 ( 3.243 0.970 -1.166) 3.580 2.845 ( 1.318 -7.407 -4.019) 8.529 2.887 ( 3.513 -9.006 -0.140) 9.668 3.019 ( 0.902 3.559 0.816) 3.761 3.048 ( -0.017 1.646 2.360) 2.878 3.130 ( 1.503 8.077 0.514) 8.231 3.207 ( -0.029 3.260 -5.645) 6.518 3.278 ( 0.149 3.635 -6.416) 7.376 3.422 ( 8.485 -4.397 -12.642) 15.848 3.583 ( 8.035 -1.088 2.439) 8.467 3.636 ( 10.628 -2.220 7.177) 13.015 3.803 ( -1.028 1.143 3.253) 3.598 3.877 ( -4.029 -1.996 3.213) 5.527 4.014 ( -0.232 3.829 0.118) 3.838 4.102 ( 1.184 -2.712 -3.877) 4.877 4.143 ( -4.674 -0.313 -2.033) 5.107 4.179 ( 0.647 -1.319 7.968) 8.102 4.330 ( 4.754 0.940 -1.048) 4.958 4.344 ( 1.307 1.300 3.209) 3.700 4.476 ( 3.437 2.436 -1.904) 4.623 4.559 ( 3.243 -0.541 4.001) 5.178 4.593 ( -1.311 -1.561 -1.580) 2.579 4.680 ( 4.071 -6.550 0.560) 7.733 4.836 ( 5.143 0.508 2.081) 5.571 4.882 ( 5.835 -3.385 6.908) 9.655 4.970 ( -2.233 6.435 -0.161) 6.813 5.064 ( -0.841 -2.764 -2.182) 3.621 5.164 ( -5.291 4.448 2.261) 7.273 5.206 ( -4.930 1.516 1.168) 5.288 5.302 ( -1.177 3.292 0.205) 3.502 5.358 ( 3.214 -1.042 3.241) 4.682 5.498 ( -8.250 4.241 0.498) 9.290 5.551 ( -10.137 4.245 -1.585) 11.104 5.647 ( -6.543 2.196 3.969) 7.962 5.667 ( -2.659 -1.819 4.033) 5.162 5.761 ( -1.364 2.284 1.065) 2.865 5.796 ( -2.863 0.905 -3.463) 4.583 5.849 ( 1.997 -0.501 -3.764) 4.291 5.884 ( -1.506 -2.492 -1.029) 3.088 5.999 ( -3.173 6.204 6.888) 9.798 6.160 ( 0.051 -1.218 -2.365) 2.660 6.292 ( 0.061 7.306 -2.718) 7.795 6.404 ( 0.291 2.784 -1.647) 3.247 6.438 ( -4.139 2.365 1.901) 5.132 6.542 ( -6.566 -4.523 0.220) 7.976 6.632 ( -4.596 1.346 -4.831) 6.803 6.664 ( -8.624 3.253 -5.859) 10.921 6.727 ( -2.094 -4.525 -0.593) 5.021 6.790 ( -8.328 -7.253 -4.207) 11.818 6.918 ( 1.110 10.532 -1.855) 10.752 7.079 ( -0.343 1.939 4.010) 4.467 7.144 ( 2.216 -2.619 -2.058) 4.001 7.160 ( 2.853 2.424 2.873) 4.719 7.227 ( -6.919 1.920 -1.150) 7.272 7.348 ( 1.714 1.651 0.507) 2.434 7.459 ( -2.611 -11.917 5.213) 13.267 7.513 ( -1.526 -4.746 2.692) 5.665 7.709 ( 3.469 1.855 -5.975) 7.153 7.773 ( 3.064 -2.756 -4.109) 5.819 8.184 ( -2.750 5.990 6.338) 9.144 8.287 ( -2.767 -1.176 1.646) 3.428 8.401 ( 0.328 5.274 -2.860) 6.009 8.412 ( 0.872 3.963 -2.697) 4.872 8.730 ( 3.110 9.513 -1.760) 10.162 8.820 ( 4.238 3.515 -1.791) 5.790 8.964 ( 2.562 3.993 0.346) 4.757 9.070 ( 6.096 -0.754 1.718) 6.378 9.317 ( 0.851 6.278 -1.673) 6.552 9.373 ( 3.859 -0.732 -0.358) 3.944 9.534 ( -0.196 7.224 -0.342) 7.235 9.648 ( 3.148 -1.445 -0.776) 3.550 9.933 ( -0.433 -13.978 -0.019) 13.985 9.971 ( 0.464 -15.385 -0.152) 15.393 10.162 ( 4.531 -11.354 -0.554) 12.237 10.186 ( 3.481 -12.691 -0.896) 13.191 10.757 ( -4.602 3.751 11.862) 13.265 10.871 ( -4.454 -5.751 12.055) 14.079 11.022 ( 3.608 6.910 -8.221) 11.330 11.177 ( 5.030 -6.888 -11.544) 14.353 13.124 ( -3.224 6.603 9.550) 12.049 13.270 ( -1.212 -5.596 3.033) 6.480 13.429 ( 2.346 1.897 -6.619) 7.274 13.535 ( 3.026 -6.694 -9.431) 11.955 14.183 ( -3.614 10.003 3.271) 11.127 14.245 ( -2.867 5.801 -2.199) 6.834 14.392 ( -1.160 1.452 3.528) 3.988 14.455 ( 0.204 -2.484 -4.187) 4.873 15.467 ( -3.177 3.338 10.778) 11.722 15.572 ( -3.503 -5.501 11.537) 13.253 15.716 ( 4.035 5.485 -7.997) 10.504 15.862 ( 4.907 -7.050 -10.925) 13.897 16.669 ( -0.526 9.131 2.468) 9.473 16.786 ( 3.506 4.864 -2.824) 6.628 16.867 ( -0.510 -8.458 1.574) 8.618 16.920 ( 0.907 -6.725 -2.519) 7.239 24.549 ( -0.185 1.237 1.243) 1.763 24.568 ( 0.356 -0.302 -0.464) 0.658 24.656 ( 0.372 -0.126 -0.131) 0.414 24.665 ( 0.662 -0.774 -0.613) 1.189 25.953 ( -3.680 4.775 10.561) 12.160 25.969 ( -2.939 2.825 8.246) 9.198 26.082 ( -0.506 4.987 -8.574) 9.932 26.102 ( -0.874 3.225 -9.506) 10.076 27.208 ( -2.081 5.450 8.367) 10.200 27.321 ( -1.208 -3.733 4.188) 5.738 27.375 ( 0.200 2.933 -5.488) 6.226 27.465 ( 0.297 -4.317 -5.481) 6.983 28.053 ( -2.044 1.572 8.194) 8.590 28.139 ( -2.041 -6.096 6.480) 9.128 28.339 ( 6.136 -2.379 -8.421) 10.687 28.369 ( 5.103 -5.035 -7.960) 10.713 ======================= Grid point 87 (50/52) ======================= q-point: ( 0.40 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( -1.573 0.637 -0.222) 1.711 1.750 ( -0.677 -1.561 -2.698) 3.189 2.134 ( -1.739 2.964 6.364) 7.233 2.166 ( 0.135 -0.403 2.074) 2.118 2.412 ( 2.432 4.882 3.422) 6.438 2.465 ( 2.529 -0.750 0.437) 2.674 2.603 ( -0.419 3.119 -3.171) 4.467 2.625 ( -3.973 2.420 -2.876) 5.469 2.684 ( 6.339 7.264 2.000) 9.847 2.754 ( -3.704 1.210 1.011) 4.026 2.790 ( -0.913 0.823 -3.692) 3.891 2.852 ( -5.971 -1.518 -1.166) 6.271 3.018 ( 3.039 4.196 -1.493) 5.392 3.099 ( -0.494 -1.854 -0.531) 1.991 3.200 ( 4.932 -2.675 4.052) 6.922 3.217 ( 2.561 -4.012 1.812) 5.093 3.419 ( 11.196 14.489 -1.747) 18.394 3.577 ( 9.341 1.243 -7.098) 11.798 3.739 ( 4.602 0.195 -1.668) 4.899 3.805 ( 7.447 0.331 -5.127) 9.047 3.821 ( -0.836 -4.993 -1.947) 5.424 3.895 ( -0.385 -4.543 4.589) 6.469 3.958 ( -6.456 -0.710 -0.380) 6.506 4.036 ( -5.407 -4.005 -0.772) 6.773 4.180 ( 4.546 3.815 2.409) 6.405 4.306 ( 5.519 -7.222 2.558) 9.443 4.346 ( 2.254 3.735 3.350) 5.500 4.409 ( -3.182 -2.887 1.314) 4.493 4.540 ( 5.567 1.686 6.443) 8.680 4.596 ( 2.262 -3.846 -0.450) 4.485 4.721 ( 7.382 4.666 2.167) 8.998 4.781 ( -0.341 6.666 -1.655) 6.877 4.815 ( 4.008 -3.081 1.775) 5.358 4.903 ( -14.198 7.117 0.834) 15.904 4.921 ( -1.470 -2.930 2.807) 4.316 5.025 ( -8.715 -0.982 1.992) 8.993 5.122 ( 8.483 3.197 -3.112) 9.585 5.186 ( 0.943 -1.321 -0.564) 1.718 5.218 ( -0.753 6.214 0.844) 6.316 5.325 ( -2.045 -1.629 -3.662) 4.499 5.365 ( -4.523 2.865 2.533) 5.923 5.454 ( -4.332 -2.933 3.560) 6.327 5.556 ( -0.727 3.467 4.715) 5.898 5.620 ( -4.027 -0.270 18.933) 19.359 5.700 ( -2.819 0.539 -5.122) 5.871 5.751 ( -0.075 -2.614 2.157) 3.390 5.854 ( -0.612 3.047 1.940) 3.664 5.901 ( 3.430 0.444 -4.194) 5.436 5.997 ( -1.213 5.854 8.033) 10.014 6.145 ( 0.634 -1.490 0.186) 1.630 6.300 ( -2.761 6.944 -4.101) 8.524 6.353 ( -1.697 3.162 1.884) 4.053 6.393 ( -3.148 3.777 -6.478) 8.133 6.404 ( 0.069 5.225 -1.542) 5.449 6.475 ( -2.916 0.287 -7.714) 8.251 6.578 ( -2.499 -7.099 -3.391) 8.255 6.646 ( -4.285 -5.045 -4.703) 8.120 6.673 ( -3.823 -3.141 -2.138) 5.390 6.781 ( -7.423 5.891 -8.253) 12.567 6.923 ( -8.363 -3.951 -7.268) 11.763 7.159 ( 4.434 4.192 4.661) 7.678 7.225 ( 0.597 0.425 5.242) 5.293 7.282 ( 6.019 -0.597 -1.067) 6.142 7.322 ( -1.789 0.586 -0.541) 1.958 7.436 ( -0.915 -0.802 6.887) 6.994 7.563 ( -0.085 -9.241 3.319) 9.819 7.711 ( 0.863 1.881 -5.933) 6.284 7.778 ( 0.432 -2.710 -5.587) 6.224 8.204 ( -0.076 4.985 7.300) 8.840 8.273 ( -0.239 0.245 2.714) 2.735 8.408 ( 0.616 4.494 -3.504) 5.732 8.412 ( 1.641 4.336 -3.483) 5.799 8.801 ( 3.882 12.215 -1.123) 12.866 8.856 ( -0.357 8.277 -1.001) 8.344 9.049 ( 3.713 1.906 3.836) 5.669 9.144 ( 0.161 -1.331 1.111) 1.742 9.342 ( 1.650 3.540 -0.436) 3.930 9.418 ( 1.178 -1.077 -3.258) 3.628 9.556 ( 1.870 0.816 1.280) 2.409 9.673 ( -0.196 -5.908 -2.660) 6.483 9.930 ( 1.085 -11.896 1.149) 12.000 10.000 ( 0.900 -13.802 0.206) 13.833 10.230 ( 1.351 -10.099 -1.959) 10.375 10.234 ( 1.560 -10.701 -2.010) 11.000 10.740 ( -3.151 4.462 11.165) 12.429 10.844 ( -3.299 -3.438 7.529) 8.910 11.057 ( 2.471 5.059 -3.099) 6.427 11.203 ( 3.606 -6.989 -11.081) 13.588 13.118 ( -2.761 6.679 9.984) 12.325 13.260 ( -1.188 -5.226 2.657) 5.982 13.439 ( 2.208 1.430 -6.675) 7.174 13.536 ( 2.324 -6.427 -9.573) 11.762 14.133 ( -2.362 10.145 2.426) 10.695 14.173 ( -1.901 7.584 -1.760) 8.015 14.391 ( -0.875 0.799 3.509) 3.704 14.450 ( 1.292 -3.170 -3.084) 4.608 15.473 ( -2.458 3.905 10.929) 11.863 15.577 ( -2.106 -4.244 9.818) 10.901 15.741 ( 2.015 4.945 -6.144) 8.140 15.886 ( 3.486 -7.042 -11.289) 13.755 16.691 ( 0.616 7.776 3.700) 8.634 16.817 ( 0.993 3.543 -5.014) 6.219 16.865 ( -0.339 -8.299 2.196) 8.592 16.922 ( 0.596 -6.190 -2.364) 6.653 24.553 ( -0.182 1.336 1.317) 1.885 24.573 ( 0.310 -0.235 -0.485) 0.621 24.663 ( 0.299 -0.134 -0.015) 0.328 24.673 ( 0.406 -0.835 -0.703) 1.165 25.919 ( -4.484 5.108 8.554) 10.925 25.945 ( -3.215 2.287 6.825) 7.883 26.046 ( 2.011 5.206 -7.031) 8.976 26.064 ( 1.735 2.985 -6.325) 7.206 27.205 ( -2.897 5.001 8.654) 10.407 27.308 ( -3.044 -4.441 7.731) 9.421 27.370 ( 3.137 4.433 -9.156) 10.645 27.446 ( 1.372 -2.816 -6.288) 7.025 28.077 ( -0.861 -0.030 9.216) 9.256 28.135 ( -1.864 -5.102 5.987) 8.084 28.380 ( 2.361 -2.755 -7.207) 8.069 28.413 ( 3.526 -5.606 -10.256) 12.209 ======================= Grid point 88 (51/52) ======================= q-point: (-0.40 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -2.839 2.937 2.419) 4.747 1.752 ( 1.291 -3.284 -1.805) 3.963 2.120 ( -2.378 4.892 5.559) 7.777 2.199 ( 0.055 -1.959 1.950) 2.765 2.402 ( -3.797 9.491 3.604) 10.839 2.507 ( -1.386 -1.267 -2.255) 2.935 2.553 ( 1.619 3.666 1.565) 4.302 2.609 ( 4.070 -1.525 0.012) 4.347 2.647 ( -5.251 2.947 4.550) 7.547 2.748 ( -3.052 -5.103 2.584) 6.483 2.780 ( -1.667 8.150 -4.827) 9.617 2.826 ( 4.928 1.141 0.412) 5.075 3.011 ( -3.296 2.400 -1.102) 4.224 3.090 ( -0.562 -0.951 -0.075) 1.108 3.215 ( -2.754 -2.833 -0.817) 4.035 3.304 ( -0.167 -7.911 -3.350) 8.592 3.406 ( -10.963 11.011 1.196) 15.584 3.526 ( -8.969 2.681 -0.886) 9.403 3.711 ( -6.926 2.519 -3.530) 8.171 3.786 ( -2.685 4.292 -0.404) 5.079 3.806 ( -2.461 -5.220 1.373) 5.932 3.899 ( -1.425 -3.494 1.260) 3.978 3.983 ( 10.418 3.320 -2.600) 11.239 4.050 ( 8.874 -3.143 -2.696) 9.792 4.245 ( -2.276 0.820 -2.007) 3.143 4.289 ( -7.631 -6.181 3.149) 10.313 4.331 ( -0.834 0.299 3.001) 3.129 4.387 ( -0.520 -3.676 2.235) 4.333 4.608 ( -3.719 1.814 5.029) 6.512 4.619 ( -0.202 0.930 4.100) 4.209 4.747 ( 0.542 6.390 0.852) 6.469 4.764 ( 0.330 3.711 -2.176) 4.314 4.844 ( 5.473 0.820 0.150) 5.536 4.854 ( -3.325 -1.875 -8.915) 9.698 4.992 ( -1.175 1.394 3.216) 3.697 5.002 ( 3.653 -0.939 -2.188) 4.360 5.077 ( -2.331 2.745 8.263) 9.014 5.154 ( -1.997 -0.616 0.762) 2.225 5.242 ( -3.419 -0.349 1.224) 3.648 5.296 ( -1.229 -2.285 -5.557) 6.133 5.405 ( 4.312 0.697 1.647) 4.668 5.438 ( 7.507 -2.789 2.596) 8.418 5.612 ( 0.602 3.282 2.344) 4.078 5.665 ( 2.286 3.022 0.015) 3.790 5.742 ( 3.722 5.656 6.600) 9.455 5.804 ( 2.946 -0.517 5.254) 6.046 5.852 ( -0.289 5.359 -3.707) 6.523 5.956 ( 6.391 1.263 -8.573) 10.767 6.046 ( -0.657 2.578 5.632) 6.229 6.114 ( -4.556 4.444 -2.221) 6.741 6.162 ( -4.256 -2.812 4.878) 7.059 6.273 ( -0.434 -6.639 4.849) 8.232 6.374 ( 1.257 4.638 -0.031) 4.806 6.440 ( 3.145 5.728 -4.779) 8.096 6.521 ( 2.503 3.152 -6.604) 7.734 6.538 ( 7.149 -0.350 -5.408) 8.971 6.582 ( 5.132 -0.221 1.915) 5.482 6.642 ( 4.560 0.657 -0.304) 4.617 6.778 ( 5.228 -1.921 -0.256) 5.575 6.854 ( 5.701 -6.030 -6.569) 10.584 7.178 ( -5.153 4.076 3.543) 7.464 7.206 ( -4.107 1.380 3.318) 5.457 7.319 ( 0.862 0.241 -2.799) 2.939 7.351 ( 1.292 -2.500 -1.895) 3.393 7.494 ( 1.544 -0.355 8.572) 8.718 7.555 ( 0.178 -3.809 -2.814) 4.739 7.698 ( -0.531 -2.478 -0.079) 2.536 7.737 ( -0.801 -3.010 -6.603) 7.300 8.237 ( -0.521 4.454 5.595) 7.171 8.292 ( 0.510 0.788 1.817) 2.046 8.399 ( 1.039 5.824 -4.411) 7.380 8.419 ( 1.371 3.904 -4.446) 6.074 8.795 ( -3.280 13.189 -1.632) 13.689 8.870 ( 2.046 9.796 -1.413) 10.107 9.080 ( -4.734 0.215 0.917) 4.827 9.129 ( -0.541 -0.480 2.725) 2.819 9.364 ( 0.146 1.666 1.026) 1.962 9.385 ( -2.259 1.231 -4.023) 4.775 9.608 ( 1.373 -5.800 3.138) 6.736 9.614 ( -2.854 -4.415 -3.829) 6.504 9.964 ( -3.188 -10.049 -1.591) 10.662 9.973 ( 0.257 -10.822 2.449) 11.099 10.213 ( -1.949 -11.272 -0.090) 11.439 10.214 ( -1.959 -11.493 -0.520) 11.670 10.748 ( -2.513 4.884 10.764) 12.085 10.852 ( 0.352 -2.968 6.565) 7.214 11.065 ( -0.282 3.585 -2.656) 4.470 11.191 ( 1.538 -6.577 -11.309) 13.172 13.126 ( -2.268 6.688 10.354) 12.533 13.256 ( -0.352 -3.884 1.544) 4.195 13.440 ( 1.275 0.176 -5.411) 5.562 13.526 ( 2.223 -6.444 -9.612) 11.784 14.105 ( -1.306 10.980 3.189) 11.508 14.180 ( 2.454 5.431 -0.483) 5.979 14.405 ( 1.004 1.893 1.088) 2.403 14.474 ( 2.849 -3.044 -4.168) 5.896 15.485 ( -2.541 4.113 11.062) 12.072 15.593 ( -1.634 -3.969 8.677) 9.680 15.723 ( -0.443 4.713 -4.947) 6.847 15.873 ( 1.668 -7.394 -11.359) 13.656 16.721 ( -0.378 6.011 4.468) 7.499 16.776 ( -1.445 5.480 -4.887) 7.484 16.871 ( -0.743 -7.405 2.330) 7.798 16.919 ( 0.600 -7.100 -2.656) 7.604 24.555 ( -0.400 1.320 1.228) 1.847 24.573 ( 0.040 -0.195 -0.591) 0.624 24.665 ( -0.176 -0.288 0.027) 0.339 24.672 ( -0.152 -0.721 -0.723) 1.032 25.888 ( -2.668 5.576 7.544) 9.753 25.928 ( -2.042 1.552 6.675) 7.151 26.084 ( 4.819 4.871 -6.897) 9.722 26.102 ( 5.855 3.437 -7.836) 10.368 27.194 ( -2.856 4.915 8.495) 10.222 27.297 ( -2.240 -4.562 7.655) 9.188 27.386 ( 3.412 4.121 -9.073) 10.533 27.452 ( 2.714 -2.086 -6.198) 7.081 28.107 ( -2.001 -1.999 9.721) 10.124 28.131 ( -1.662 -3.962 5.638) 7.089 28.359 ( -0.315 -2.638 -6.562) 7.079 28.384 ( -0.924 -4.953 -8.666) 10.024 ======================= Grid point 89 (52/52) ======================= q-point: (-0.20 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 1.069 7.276 6.081) 9.543 1.796 ( 3.715 -3.016 2.024) 5.195 2.093 ( -3.775 5.164 3.623) 7.351 2.139 ( -5.640 2.005 4.146) 7.282 2.383 ( -0.771 5.390 -1.213) 5.578 2.441 ( -2.710 2.814 -2.058) 4.416 2.523 ( -9.903 6.410 5.316) 12.939 2.614 ( -2.757 0.069 1.609) 3.193 2.672 ( 0.003 8.277 1.239) 8.369 2.700 ( 1.396 -4.261 0.884) 4.570 2.753 ( -1.325 -6.550 3.073) 7.356 2.837 ( -3.136 -6.687 5.761) 9.367 3.011 ( 2.559 3.245 -0.593) 4.175 3.023 ( -1.967 2.997 0.442) 3.612 3.148 ( -4.300 -2.614 1.026) 5.136 3.167 ( -1.404 3.307 -2.707) 4.499 3.257 ( -9.399 -5.490 -7.214) 13.059 3.320 ( -2.439 -5.001 -6.321) 8.421 3.604 ( -0.243 10.445 4.790) 11.493 3.703 ( -4.628 3.686 -2.420) 6.392 3.852 ( 2.183 0.325 1.371) 2.598 3.956 ( 4.046 1.154 3.842) 5.697 4.002 ( -6.471 3.333 -4.045) 8.327 4.081 ( -0.587 -1.596 -3.818) 4.180 4.168 ( 0.701 -2.973 -4.581) 5.506 4.220 ( -1.890 -9.611 5.355) 11.163 4.388 ( -1.049 2.336 -0.524) 2.614 4.416 ( 2.064 0.918 -1.737) 2.850 4.489 ( -5.662 2.063 -4.769) 7.685 4.530 ( -3.996 -1.155 -1.135) 4.311 4.694 ( -3.596 3.880 -10.140) 11.437 4.783 ( -1.141 -0.307 1.784) 2.140 4.797 ( -5.804 -1.388 -1.186) 6.085 4.869 ( -7.147 -4.557 6.792) 10.862 4.945 ( 5.325 4.756 -0.780) 7.182 5.037 ( 3.806 -3.264 -5.065) 7.127 5.102 ( -1.045 0.152 10.858) 10.909 5.133 ( -3.387 -0.578 13.983) 14.399 5.208 ( 1.501 4.266 2.048) 4.965 5.285 ( 0.728 -1.122 1.762) 2.212 5.533 ( 4.566 3.696 -0.189) 5.878 5.620 ( 6.833 -2.471 1.115) 7.351 5.636 ( 1.252 3.127 1.974) 3.904 5.743 ( 3.117 -1.175 1.980) 3.875 5.773 ( -1.508 11.173 3.579) 11.829 5.818 ( 1.740 5.350 -8.818) 10.460 5.867 ( 0.470 2.592 -0.587) 2.699 5.984 ( -0.697 -6.982 -6.839) 9.798 6.051 ( 3.962 4.433 -3.503) 6.900 6.104 ( 3.359 4.039 -1.976) 5.613 6.256 ( 3.063 -1.789 1.705) 3.936 6.322 ( 1.805 -5.941 7.184) 9.496 6.441 ( 6.238 7.483 -1.605) 9.874 6.529 ( 9.977 1.198 2.228) 10.293 6.585 ( 3.704 5.666 1.054) 6.851 6.649 ( 6.156 -2.579 -0.904) 6.736 6.691 ( 5.267 -3.215 -0.094) 6.171 6.753 ( 1.839 -7.569 -3.040) 8.362 6.898 ( 4.456 10.547 -0.127) 11.450 7.087 ( -1.772 3.413 2.531) 4.603 7.140 ( 1.273 -0.235 -1.489) 1.974 7.165 ( 12.480 2.909 4.170) 13.475 7.265 ( -2.823 -2.744 -5.154) 6.486 7.353 ( -0.046 -5.775 0.361) 5.786 7.531 ( -2.096 1.889 2.772) 3.956 7.560 ( 1.466 -4.330 -0.978) 4.674 7.640 ( -3.891 -0.938 -1.023) 4.131 7.705 ( -0.397 -7.428 -2.121) 7.735 8.245 ( -1.391 4.883 4.234) 6.611 8.305 ( 0.394 0.199 0.062) 0.445 8.404 ( 2.190 7.191 -6.143) 9.708 8.438 ( 3.144 6.076 -3.746) 7.800 8.712 ( -2.669 8.992 -1.749) 9.542 8.844 ( -4.143 1.315 -3.354) 5.490 8.957 ( -5.747 3.180 0.436) 6.582 9.087 ( -4.870 -1.511 1.373) 5.281 9.295 ( -3.422 8.365 -0.214) 9.041 9.357 ( -1.328 1.641 0.985) 2.329 9.559 ( 0.119 3.023 -2.589) 3.982 9.623 ( -1.717 -1.487 1.505) 2.724 9.919 ( -0.084 -12.418 0.939) 12.453 9.962 ( -1.397 -13.901 1.036) 14.009 10.156 ( -2.963 -12.921 -0.130) 13.257 10.167 ( -2.772 -13.058 0.994) 13.386 10.766 ( -2.064 5.544 11.262) 12.721 10.899 ( -1.777 -5.888 11.003) 12.605 11.027 ( 0.316 4.583 -7.851) 9.097 11.151 ( 1.635 -6.030 -11.824) 13.373 13.138 ( -2.502 6.592 10.190) 12.392 13.262 ( 0.152 -3.068 0.986) 3.226 13.431 ( 0.720 -0.187 -4.448) 4.509 13.521 ( 2.684 -6.963 -9.583) 12.146 14.130 ( 1.360 11.171 4.875) 12.264 14.239 ( 2.528 1.814 1.672) 3.532 14.432 ( 1.338 3.536 -2.642) 4.612 14.501 ( 2.134 -2.106 -5.850) 6.573 15.492 ( -3.152 3.456 11.142) 12.084 15.602 ( -3.107 -5.432 10.787) 12.471 15.683 ( 0.583 5.544 -7.168) 9.081 15.835 ( 1.438 -7.482 -11.090) 13.455 16.712 ( -1.746 6.860 1.478) 7.231 16.733 ( -0.876 8.312 -1.119) 8.433 16.865 ( -0.785 -7.601 2.072) 7.918 16.917 ( 0.569 -8.294 -2.349) 8.639 24.552 ( -0.521 1.205 1.096) 1.710 24.569 ( -0.069 -0.244 -0.628) 0.678 24.658 ( -0.351 -0.362 -0.088) 0.512 24.662 ( -0.264 -0.591 -0.629) 0.902 25.901 ( -0.751 5.587 8.646) 10.321 25.940 ( -0.931 1.706 7.544) 7.791 26.135 ( 3.888 5.696 -8.187) 10.705 26.180 ( 6.019 2.406 -12.005) 13.643 27.189 ( -2.227 5.315 8.258) 10.069 27.302 ( -1.026 -4.350 5.477) 7.069 27.404 ( 2.652 2.908 -7.002) 8.032 27.479 ( 2.791 -3.570 -5.519) 7.141 28.105 ( -3.407 -1.712 9.545) 10.279 28.129 ( -1.544 -3.446 5.260) 6.475 28.298 ( -2.718 -2.436 -4.794) 6.025 28.315 ( 0.609 -3.936 -7.014) 8.066 =================== 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 3/21000 10.0 460.375 393.512 597.317 0.000 183.806 0.000 3/21000 20.0 54.402 60.459 95.196 0.000 6.875 0.000 3/21000 30.0 19.116 21.730 34.287 0.000 1.016 0.000 3/21000 40.0 10.156 11.533 17.702 0.000 0.273 0.000 3/21000 50.0 6.625 7.449 11.192 0.000 0.095 0.000 3/21000 60.0 4.864 5.401 8.008 0.000 0.032 0.000 3/21000 70.0 3.842 4.219 6.204 0.000 0.005 0.000 3/21000 80.0 3.185 3.468 5.069 0.000 -0.009 0.000 3/21000 90.0 2.728 2.955 4.297 0.000 -0.017 0.000 3/21000 100.0 2.393 2.585 3.740 0.000 -0.022 0.000 3/21000 110.0 2.136 2.307 3.320 0.000 -0.025 0.000 3/21000 120.0 1.932 2.090 2.991 0.000 -0.027 0.000 3/21000 130.0 1.765 1.916 2.727 0.000 -0.028 0.000 3/21000 140.0 1.627 1.772 2.509 0.000 -0.029 0.000 3/21000 150.0 1.511 1.652 2.327 0.000 -0.030 0.000 3/21000 160.0 1.410 1.550 2.173 0.000 -0.031 0.000 3/21000 170.0 1.324 1.462 2.039 0.000 -0.031 0.000 3/21000 180.0 1.248 1.385 1.923 0.000 -0.032 0.000 3/21000 190.0 1.181 1.317 1.821 0.000 -0.032 0.000 3/21000 200.0 1.121 1.256 1.730 0.000 -0.032 0.000 3/21000 210.0 1.067 1.202 1.650 0.000 -0.032 0.000 3/21000 220.0 1.019 1.153 1.577 0.000 -0.033 0.000 3/21000 230.0 0.976 1.109 1.512 0.000 -0.033 0.000 3/21000 240.0 0.936 1.069 1.452 0.000 -0.033 0.000 3/21000 250.0 0.900 1.032 1.398 0.000 -0.033 0.000 3/21000 260.0 0.866 0.998 1.348 0.000 -0.033 0.000 3/21000 270.0 0.836 0.967 1.302 0.000 -0.034 0.000 3/21000 280.0 0.807 0.938 1.260 0.000 -0.034 0.000 3/21000 290.0 0.781 0.911 1.221 0.000 -0.034 0.000 3/21000 300.0 0.757 0.885 1.184 0.000 -0.034 0.000 3/21000 310.0 0.734 0.862 1.150 0.000 -0.034 0.000 3/21000 320.0 0.713 0.840 1.118 0.000 -0.034 0.000 3/21000 330.0 0.692 0.819 1.088 0.000 -0.034 0.000 3/21000 340.0 0.674 0.799 1.060 0.000 -0.034 0.000 3/21000 350.0 0.656 0.780 1.033 0.000 -0.034 0.000 3/21000 360.0 0.639 0.762 1.008 0.000 -0.034 0.000 3/21000 370.0 0.623 0.745 0.984 0.000 -0.034 0.000 3/21000 380.0 0.608 0.729 0.962 0.000 -0.034 0.000 3/21000 390.0 0.594 0.714 0.940 0.000 -0.034 0.000 3/21000 400.0 0.580 0.699 0.920 0.000 -0.034 0.000 3/21000 410.0 0.567 0.685 0.900 0.000 -0.034 0.000 3/21000 420.0 0.555 0.672 0.881 0.000 -0.034 0.000 3/21000 430.0 0.543 0.659 0.864 0.000 -0.033 0.000 3/21000 440.0 0.532 0.647 0.846 0.000 -0.033 0.000 3/21000 450.0 0.521 0.635 0.830 0.000 -0.033 0.000 3/21000 460.0 0.511 0.623 0.814 0.000 -0.033 0.000 3/21000 470.0 0.501 0.612 0.799 0.000 -0.033 0.000 3/21000 480.0 0.491 0.602 0.785 0.000 -0.033 0.000 3/21000 490.0 0.482 0.591 0.771 0.000 -0.032 0.000 3/21000 500.0 0.473 0.581 0.757 0.000 -0.032 0.000 3/21000 510.0 0.465 0.572 0.744 0.000 -0.032 0.000 3/21000 520.0 0.457 0.563 0.732 0.000 -0.032 0.000 3/21000 530.0 0.449 0.554 0.719 0.000 -0.032 0.000 3/21000 540.0 0.441 0.545 0.708 0.000 -0.031 0.000 3/21000 550.0 0.434 0.536 0.696 0.000 -0.031 0.000 3/21000 560.0 0.427 0.528 0.685 0.000 -0.031 0.000 3/21000 570.0 0.420 0.520 0.675 0.000 -0.031 0.000 3/21000 580.0 0.413 0.513 0.664 0.000 -0.031 0.000 3/21000 590.0 0.407 0.505 0.654 0.000 -0.030 0.000 3/21000 600.0 0.400 0.498 0.645 0.000 -0.030 0.000 3/21000 610.0 0.394 0.491 0.635 0.000 -0.030 0.000 3/21000 620.0 0.388 0.484 0.626 0.000 -0.030 0.000 3/21000 630.0 0.383 0.477 0.617 0.000 -0.029 0.000 3/21000 640.0 0.377 0.471 0.609 0.000 -0.029 0.000 3/21000 650.0 0.372 0.465 0.600 0.000 -0.029 0.000 3/21000 660.0 0.366 0.458 0.592 0.000 -0.029 0.000 3/21000 670.0 0.361 0.452 0.584 0.000 -0.029 0.000 3/21000 680.0 0.356 0.447 0.576 0.000 -0.028 0.000 3/21000 690.0 0.352 0.441 0.569 0.000 -0.028 0.000 3/21000 700.0 0.347 0.435 0.561 0.000 -0.028 0.000 3/21000 710.0 0.342 0.430 0.554 0.000 -0.028 0.000 3/21000 720.0 0.338 0.425 0.547 0.000 -0.027 0.000 3/21000 730.0 0.334 0.419 0.540 0.000 -0.027 0.000 3/21000 740.0 0.329 0.414 0.534 0.000 -0.027 0.000 3/21000 750.0 0.325 0.409 0.527 0.000 -0.027 0.000 3/21000 760.0 0.321 0.405 0.521 0.000 -0.027 0.000 3/21000 770.0 0.317 0.400 0.515 0.000 -0.026 0.000 3/21000 780.0 0.313 0.395 0.509 0.000 -0.026 0.000 3/21000 790.0 0.310 0.391 0.503 0.000 -0.026 0.000 3/21000 800.0 0.306 0.386 0.497 0.000 -0.026 0.000 3/21000 810.0 0.302 0.382 0.491 0.000 -0.026 0.000 3/21000 820.0 0.299 0.378 0.486 0.000 -0.025 0.000 3/21000 830.0 0.296 0.374 0.481 0.000 -0.025 0.000 3/21000 840.0 0.292 0.370 0.475 0.000 -0.025 0.000 3/21000 850.0 0.289 0.366 0.470 0.000 -0.025 0.000 3/21000 860.0 0.286 0.362 0.465 0.000 -0.025 0.000 3/21000 870.0 0.283 0.358 0.460 0.000 -0.024 0.000 3/21000 880.0 0.280 0.354 0.455 0.000 -0.024 0.000 3/21000 890.0 0.277 0.351 0.450 0.000 -0.024 0.000 3/21000 900.0 0.274 0.347 0.446 0.000 -0.024 0.000 3/21000 910.0 0.271 0.344 0.441 0.000 -0.024 0.000 3/21000 920.0 0.268 0.340 0.437 0.000 -0.023 0.000 3/21000 930.0 0.265 0.337 0.432 0.000 -0.023 0.000 3/21000 940.0 0.263 0.334 0.428 0.000 -0.023 0.000 3/21000 950.0 0.260 0.330 0.424 0.000 -0.023 0.000 3/21000 960.0 0.257 0.327 0.420 0.000 -0.023 0.000 3/21000 970.0 0.255 0.324 0.416 0.000 -0.023 0.000 3/21000 980.0 0.252 0.321 0.412 0.000 -0.022 0.000 3/21000 990.0 0.250 0.318 0.408 0.000 -0.022 0.000 3/21000 1000.0 0.248 0.315 0.404 0.000 -0.022 0.000 3/21000 Thermal conductivity related properties were written into "kappa-m575.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:18:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|