----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 15:42:49]------------------------- Compiled with OpenMP support (max 32 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.326847899733180 0.000000000000000 0.000000000000000 b 0.000000000000000 10.196587109999998 0.000000000000000 c -1.031926546176775 0.000000000000000 5.565944517074624 Atomic positions (fractional): *1 Al 0.85355227358562 0.67735949822466 0.06593584072954 26.982 2 Al 0.14644772641438 0.32264050177534 0.93406415927046 26.982 3 Al 0.85355227358562 0.82264050177534 0.56593584072954 26.982 4 Al 0.14644772641438 0.17735949822466 0.43406415927046 26.982 *5 Cu 0.46005315470455 0.35728022766615 0.40668897675147 63.546 6 Cu 0.46005315470455 0.14271977233385 0.90668897675147 63.546 7 Cu 0.53994684529545 0.64271977233385 0.59331102324853 63.546 8 Cu 0.53994684529545 0.85728022766615 0.09331102324853 63.546 *9 As 0.27418653222168 0.61102032064227 0.08018705890508 74.922 10 As 0.72581346777832 0.11102032064227 0.41981294109492 74.922 11 As 0.27418653222168 0.88897967935773 0.58018705890508 74.922 12 As 0.72581346777832 0.38897967935773 0.91981294109492 74.922 *13 O 0.90385966090954 0.20444053032774 0.36878758137732 15.999 *14 O 0.62011216164507 0.46078353647992 0.64956798848386 15.999 *15 O 0.23598034233042 0.22259592481860 0.73099849656394 15.999 *16 O 0.19388244135570 0.48938768300274 0.88720371121727 15.999 17 O 0.76401965766958 0.72259592481860 0.76900150343606 15.999 *18 O 0.43268171531454 0.80473870461180 0.45580469768139 15.999 19 O 0.37988783835493 0.53921646352008 0.35043201151614 15.999 20 O 0.37988783835493 0.96078353647992 0.85043201151614 15.999 21 O 0.56731828468546 0.19526129538820 0.54419530231861 15.999 22 O 0.80611755864430 0.51061231699726 0.11279628878273 15.999 23 O 0.90385966090954 0.29555946967226 0.86878758137732 15.999 24 O 0.09614033909046 0.79555946967226 0.63121241862268 15.999 25 O 0.43268171531454 0.69526129538820 0.95580469768139 15.999 26 O 0.19388244135570 0.01061231699726 0.38720371121727 15.999 27 O 0.09614033909046 0.70444053032774 0.13121241862268 15.999 28 O 0.56731828468546 0.30473870461180 0.04419530231861 15.999 29 O 0.76401965766958 0.77740407518140 0.26900150343606 15.999 30 O 0.23598034233042 0.27740407518140 0.23099849656394 15.999 31 O 0.62011216164507 0.03921646352008 0.14956798848386 15.999 32 O 0.80611755864430 0.98938768300274 0.61279628878273 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.326847899733180 0.000000000000000 0.000000000000000 b 0.000000000000000 10.196587109999998 0.000000000000000 c -1.031926546176775 0.000000000000000 5.565944517074624 Atomic positions (fractional): *1 Al 0.85355227358562 0.67735949822466 0.06593584072954 26.982 > 1 2 Al 0.14644772641438 0.32264050177534 0.93406415927046 26.982 > 2 3 Al 0.85355227358562 0.82264050177534 0.56593584072954 26.982 > 3 4 Al 0.14644772641438 0.17735949822466 0.43406415927046 26.982 > 4 *5 Cu 0.46005315470455 0.35728022766615 0.40668897675147 63.546 > 5 6 Cu 0.46005315470455 0.14271977233385 0.90668897675147 63.546 > 6 7 Cu 0.53994684529545 0.64271977233385 0.59331102324853 63.546 > 7 8 Cu 0.53994684529545 0.85728022766615 0.09331102324853 63.546 > 8 *9 As 0.27418653222168 0.61102032064227 0.08018705890508 74.922 > 9 10 As 0.72581346777832 0.11102032064227 0.41981294109492 74.922 > 10 11 As 0.27418653222168 0.88897967935773 0.58018705890508 74.922 > 11 12 As 0.72581346777832 0.38897967935773 0.91981294109492 74.922 > 12 *13 O 0.90385966090954 0.20444053032774 0.36878758137732 15.999 > 13 *14 O 0.62011216164507 0.46078353647992 0.64956798848386 15.999 > 14 *15 O 0.23598034233042 0.22259592481860 0.73099849656394 15.999 > 15 *16 O 0.19388244135570 0.48938768300274 0.88720371121727 15.999 > 16 17 O 0.76401965766958 0.72259592481860 0.76900150343606 15.999 > 17 *18 O 0.43268171531454 0.80473870461180 0.45580469768139 15.999 > 18 19 O 0.37988783835493 0.53921646352008 0.35043201151614 15.999 > 19 20 O 0.37988783835493 0.96078353647992 0.85043201151614 15.999 > 20 21 O 0.56731828468546 0.19526129538820 0.54419530231861 15.999 > 21 22 O 0.80611755864430 0.51061231699726 0.11279628878273 15.999 > 22 23 O 0.90385966090954 0.29555946967226 0.86878758137732 15.999 > 23 24 O 0.09614033909046 0.79555946967226 0.63121241862268 15.999 > 24 25 O 0.43268171531454 0.69526129538820 0.95580469768139 15.999 > 25 26 O 0.19388244135570 0.01061231699726 0.38720371121727 15.999 > 26 27 O 0.09614033909046 0.70444053032774 0.13121241862268 15.999 > 27 28 O 0.56731828468546 0.30473870461180 0.04419530231861 15.999 > 28 29 O 0.76401965766958 0.77740407518140 0.26900150343606 15.999 > 29 30 O 0.23598034233042 0.27740407518140 0.23099849656394 15.999 > 30 31 O 0.62011216164507 0.03921646352008 0.14956798848386 15.999 > 31 32 O 0.80611755864430 0.98938768300274 0.61279628878273 15.999 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.653695799466361 0.000000000000000 0.000000000000000 b 0.000000000000000 10.196587109999998 0.000000000000000 c -2.063853092353550 0.000000000000000 11.131889034149248 Atomic positions (fractional): *1 Al 0.42677613679281 0.67735949822466 0.03296792036477 26.982 > 1 2 Al 0.92677613679281 0.67735949822466 0.03296792036477 26.982 > 1 3 Al 0.42677613679281 0.67735949822466 0.53296792036477 26.982 > 1 4 Al 0.92677613679281 0.67735949822466 0.53296792036477 26.982 > 1 5 Al 0.07322386320719 0.32264050177534 0.46703207963523 26.982 > 2 6 Al 0.57322386320719 0.32264050177534 0.46703207963523 26.982 > 2 7 Al 0.07322386320719 0.32264050177534 0.96703207963523 26.982 > 2 8 Al 0.57322386320719 0.32264050177534 0.96703207963523 26.982 > 2 9 Al 0.42677613679281 0.82264050177534 0.28296792036477 26.982 > 3 10 Al 0.92677613679281 0.82264050177534 0.28296792036477 26.982 > 3 11 Al 0.42677613679281 0.82264050177534 0.78296792036477 26.982 > 3 12 Al 0.92677613679281 0.82264050177534 0.78296792036477 26.982 > 3 13 Al 0.07322386320719 0.17735949822466 0.21703207963523 26.982 > 4 14 Al 0.57322386320719 0.17735949822466 0.21703207963523 26.982 > 4 15 Al 0.07322386320719 0.17735949822466 0.71703207963523 26.982 > 4 16 Al 0.57322386320719 0.17735949822466 0.71703207963523 26.982 > 4 *17 Cu 0.23002657735228 0.35728022766615 0.20334448837574 63.546 > 5 18 Cu 0.73002657735228 0.35728022766615 0.20334448837574 63.546 > 5 19 Cu 0.23002657735228 0.35728022766615 0.70334448837574 63.546 > 5 20 Cu 0.73002657735228 0.35728022766615 0.70334448837574 63.546 > 5 21 Cu 0.23002657735228 0.14271977233385 0.45334448837573 63.546 > 6 22 Cu 0.73002657735228 0.14271977233385 0.45334448837573 63.546 > 6 23 Cu 0.23002657735228 0.14271977233385 0.95334448837573 63.546 > 6 24 Cu 0.73002657735228 0.14271977233385 0.95334448837573 63.546 > 6 25 Cu 0.26997342264772 0.64271977233385 0.29665551162427 63.546 > 7 26 Cu 0.76997342264772 0.64271977233385 0.29665551162427 63.546 > 7 27 Cu 0.26997342264772 0.64271977233385 0.79665551162427 63.546 > 7 28 Cu 0.76997342264772 0.64271977233385 0.79665551162427 63.546 > 7 29 Cu 0.26997342264772 0.85728022766615 0.04665551162426 63.546 > 8 30 Cu 0.76997342264772 0.85728022766615 0.04665551162426 63.546 > 8 31 Cu 0.26997342264772 0.85728022766615 0.54665551162426 63.546 > 8 32 Cu 0.76997342264772 0.85728022766615 0.54665551162426 63.546 > 8 *33 As 0.13709326611084 0.61102032064227 0.04009352945254 74.922 > 9 34 As 0.63709326611084 0.61102032064227 0.04009352945254 74.922 > 9 35 As 0.13709326611084 0.61102032064227 0.54009352945254 74.922 > 9 36 As 0.63709326611084 0.61102032064227 0.54009352945254 74.922 > 9 37 As 0.36290673388916 0.11102032064227 0.20990647054746 74.922 > 10 38 As 0.86290673388916 0.11102032064227 0.20990647054746 74.922 > 10 39 As 0.36290673388916 0.11102032064227 0.70990647054746 74.922 > 10 40 As 0.86290673388916 0.11102032064227 0.70990647054746 74.922 > 10 41 As 0.13709326611084 0.88897967935773 0.29009352945254 74.922 > 11 42 As 0.63709326611084 0.88897967935773 0.29009352945254 74.922 > 11 43 As 0.13709326611084 0.88897967935773 0.79009352945254 74.922 > 11 44 As 0.63709326611084 0.88897967935773 0.79009352945254 74.922 > 11 45 As 0.36290673388916 0.38897967935773 0.45990647054746 74.922 > 12 46 As 0.86290673388916 0.38897967935773 0.45990647054746 74.922 > 12 47 As 0.36290673388916 0.38897967935773 0.95990647054746 74.922 > 12 48 As 0.86290673388916 0.38897967935773 0.95990647054746 74.922 > 12 *49 O 0.45192983045477 0.20444053032774 0.18439379068866 15.999 > 13 50 O 0.95192983045477 0.20444053032774 0.18439379068866 15.999 > 13 51 O 0.45192983045477 0.20444053032774 0.68439379068866 15.999 > 13 52 O 0.95192983045477 0.20444053032774 0.68439379068866 15.999 > 13 *53 O 0.31005608082254 0.46078353647992 0.32478399424193 15.999 > 14 54 O 0.81005608082254 0.46078353647992 0.32478399424193 15.999 > 14 55 O 0.31005608082254 0.46078353647992 0.82478399424193 15.999 > 14 56 O 0.81005608082254 0.46078353647992 0.82478399424193 15.999 > 14 *57 O 0.11799017116521 0.22259592481860 0.36549924828197 15.999 > 15 58 O 0.61799017116521 0.22259592481860 0.36549924828197 15.999 > 15 59 O 0.11799017116521 0.22259592481860 0.86549924828197 15.999 > 15 60 O 0.61799017116521 0.22259592481860 0.86549924828197 15.999 > 15 *61 O 0.09694122067785 0.48938768300274 0.44360185560863 15.999 > 16 62 O 0.59694122067785 0.48938768300274 0.44360185560863 15.999 > 16 63 O 0.09694122067785 0.48938768300274 0.94360185560863 15.999 > 16 64 O 0.59694122067785 0.48938768300274 0.94360185560863 15.999 > 16 65 O 0.38200982883479 0.72259592481860 0.38450075171803 15.999 > 17 66 O 0.88200982883479 0.72259592481860 0.38450075171803 15.999 > 17 67 O 0.38200982883479 0.72259592481860 0.88450075171803 15.999 > 17 68 O 0.88200982883479 0.72259592481860 0.88450075171803 15.999 > 17 *69 O 0.21634085765727 0.80473870461180 0.22790234884069 15.999 > 18 70 O 0.71634085765727 0.80473870461180 0.22790234884069 15.999 > 18 71 O 0.21634085765727 0.80473870461180 0.72790234884069 15.999 > 18 72 O 0.71634085765727 0.80473870461180 0.72790234884069 15.999 > 18 73 O 0.18994391917746 0.53921646352008 0.17521600575807 15.999 > 19 74 O 0.68994391917746 0.53921646352008 0.17521600575807 15.999 > 19 75 O 0.18994391917746 0.53921646352008 0.67521600575807 15.999 > 19 76 O 0.68994391917746 0.53921646352008 0.67521600575807 15.999 > 19 77 O 0.18994391917746 0.96078353647992 0.42521600575807 15.999 > 20 78 O 0.68994391917746 0.96078353647992 0.42521600575807 15.999 > 20 79 O 0.18994391917746 0.96078353647992 0.92521600575807 15.999 > 20 80 O 0.68994391917746 0.96078353647992 0.92521600575807 15.999 > 20 81 O 0.28365914234273 0.19526129538820 0.27209765115931 15.999 > 21 82 O 0.78365914234273 0.19526129538820 0.27209765115931 15.999 > 21 83 O 0.28365914234273 0.19526129538820 0.77209765115931 15.999 > 21 84 O 0.78365914234273 0.19526129538820 0.77209765115931 15.999 > 21 85 O 0.40305877932215 0.51061231699726 0.05639814439137 15.999 > 22 86 O 0.90305877932215 0.51061231699726 0.05639814439137 15.999 > 22 87 O 0.40305877932215 0.51061231699726 0.55639814439137 15.999 > 22 88 O 0.90305877932215 0.51061231699726 0.55639814439137 15.999 > 22 89 O 0.45192983045477 0.29555946967226 0.43439379068866 15.999 > 23 90 O 0.95192983045477 0.29555946967226 0.43439379068866 15.999 > 23 91 O 0.45192983045477 0.29555946967226 0.93439379068866 15.999 > 23 92 O 0.95192983045477 0.29555946967226 0.93439379068866 15.999 > 23 93 O 0.04807016954523 0.79555946967226 0.31560620931134 15.999 > 24 94 O 0.54807016954523 0.79555946967226 0.31560620931134 15.999 > 24 95 O 0.04807016954523 0.79555946967226 0.81560620931134 15.999 > 24 96 O 0.54807016954523 0.79555946967226 0.81560620931134 15.999 > 24 97 O 0.21634085765727 0.69526129538820 0.47790234884069 15.999 > 25 98 O 0.71634085765727 0.69526129538820 0.47790234884069 15.999 > 25 99 O 0.21634085765727 0.69526129538820 0.97790234884069 15.999 > 25 100 O 0.71634085765727 0.69526129538820 0.97790234884069 15.999 > 25 101 O 0.09694122067785 0.01061231699726 0.19360185560863 15.999 > 26 102 O 0.59694122067785 0.01061231699726 0.19360185560863 15.999 > 26 103 O 0.09694122067785 0.01061231699726 0.69360185560863 15.999 > 26 104 O 0.59694122067785 0.01061231699726 0.69360185560863 15.999 > 26 105 O 0.04807016954523 0.70444053032774 0.06560620931134 15.999 > 27 106 O 0.54807016954523 0.70444053032774 0.06560620931134 15.999 > 27 107 O 0.04807016954523 0.70444053032774 0.56560620931134 15.999 > 27 108 O 0.54807016954523 0.70444053032774 0.56560620931134 15.999 > 27 109 O 0.28365914234273 0.30473870461180 0.02209765115931 15.999 > 28 110 O 0.78365914234273 0.30473870461180 0.02209765115931 15.999 > 28 111 O 0.28365914234273 0.30473870461180 0.52209765115931 15.999 > 28 112 O 0.78365914234273 0.30473870461180 0.52209765115931 15.999 > 28 113 O 0.38200982883479 0.77740407518140 0.13450075171803 15.999 > 29 114 O 0.88200982883479 0.77740407518140 0.13450075171803 15.999 > 29 115 O 0.38200982883479 0.77740407518140 0.63450075171803 15.999 > 29 116 O 0.88200982883479 0.77740407518140 0.63450075171803 15.999 > 29 117 O 0.11799017116521 0.27740407518140 0.11549924828197 15.999 > 30 118 O 0.61799017116521 0.27740407518140 0.11549924828197 15.999 > 30 119 O 0.11799017116521 0.27740407518140 0.61549924828197 15.999 > 30 120 O 0.61799017116521 0.27740407518140 0.61549924828197 15.999 > 30 121 O 0.31005608082254 0.03921646352008 0.07478399424193 15.999 > 31 122 O 0.81005608082254 0.03921646352008 0.07478399424193 15.999 > 31 123 O 0.31005608082254 0.03921646352008 0.57478399424193 15.999 > 31 124 O 0.81005608082254 0.03921646352008 0.57478399424193 15.999 > 31 125 O 0.40305877932215 0.98938768300274 0.30639814439137 15.999 > 32 126 O 0.90305877932215 0.98938768300274 0.30639814439137 15.999 > 32 127 O 0.40305877932215 0.98938768300274 0.80639814439137 15.999 > 32 128 O 0.90305877932215 0.98938768300274 0.80639814439137 15.999 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1220767 0.0000000 0.7135108 0.0000000 7.0141002 0.0000000 0.7097641 0.0000000 4.8016945 -------------------------- Born effective charges -------------------------- 1 Al 3.5129391 -0.0908074 0.2216457 -0.5476736 2.9734641 0.9112010 0.3430274 0.1906122 2.5340889 2 Al 3.5129391 -0.0908074 0.2216457 -0.5476736 2.9734641 0.9112010 0.3430274 0.1906122 2.5340889 3 Al 3.5129391 0.0908074 0.2216457 0.5476736 2.9734641 -0.9112010 0.3430274 -0.1906122 2.5340889 4 Al 3.5129391 0.0908074 0.2216457 0.5476736 2.9734641 -0.9112010 0.3430274 -0.1906122 2.5340889 5 Cu 1.3747596 -0.1538323 0.3061933 -0.0983979 1.5032358 -0.5275945 0.2468579 -0.2108396 1.3472689 6 Cu 1.3747596 0.1538323 0.3061933 0.0983979 1.5032358 0.5275945 0.2468579 0.2108396 1.3472689 7 Cu 1.3747596 -0.1538323 0.3061933 -0.0983979 1.5032358 -0.5275945 0.2468579 -0.2108396 1.3472689 8 Cu 1.3747596 0.1538323 0.3061933 0.0983979 1.5032358 0.5275945 0.2468579 0.2108396 1.3472689 9 As 3.6922537 -0.3626928 0.2476850 1.4847133 4.3912046 -1.1907927 0.2955077 -0.6368278 3.6285518 10 As 3.6922537 0.3626928 0.2476850 -1.4847133 4.3912046 1.1907927 0.2955077 0.6368278 3.6285518 11 As 3.6922537 0.3626928 0.2476850 -1.4847133 4.3912046 1.1907927 0.2955077 0.6368278 3.6285518 12 As 3.6922537 -0.3626928 0.2476850 1.4847133 4.3912046 -1.1907927 0.2955077 -0.6368278 3.6285518 13 O -3.0182430 -0.4299220 -0.1266540 -0.1575312 -1.2636317 0.0725231 -0.4943365 -0.1075973 -1.1720442 14 O -0.9297660 0.2850526 -0.4565569 0.2855715 -0.3270699 0.9938154 -0.4224874 0.9218224 -1.7242818 15 O -1.9372650 0.4006096 -0.2096724 1.0514939 -1.8340992 0.2149790 -0.2476539 -0.0982659 -2.0729303 16 O -1.3269439 -0.3153225 -0.1911615 -0.5329411 -2.7313576 -0.2359194 -0.1829132 -0.3323469 -1.3236398 17 O -1.9372650 -0.4006096 -0.2096724 -1.0514939 -1.8340992 -0.2149790 -0.2476539 0.0982659 -2.0729303 18 O -1.3677345 0.3753965 0.2085207 1.5912102 -2.7117460 -0.3862417 0.4619979 -0.3996229 -1.2170134 19 O -0.9297660 0.2850526 -0.4565569 0.2855715 -0.3270699 0.9938154 -0.4224874 0.9218224 -1.7242818 20 O -0.9297660 -0.2850526 -0.4565569 -0.2855715 -0.3270699 -0.9938154 -0.4224874 -0.9218224 -1.7242818 21 O -1.3677345 0.3753965 0.2085207 1.5912102 -2.7117460 -0.3862417 0.4619979 -0.3996229 -1.2170134 22 O -1.3269439 -0.3153225 -0.1911615 -0.5329411 -2.7313576 -0.2359194 -0.1829132 -0.3323469 -1.3236398 23 O -3.0182430 0.4299220 -0.1266540 0.1575312 -1.2636317 -0.0725231 -0.4943365 0.1075973 -1.1720442 24 O -3.0182430 -0.4299220 -0.1266540 -0.1575312 -1.2636317 0.0725231 -0.4943365 -0.1075973 -1.1720442 25 O -1.3677345 -0.3753965 0.2085207 -1.5912102 -2.7117460 0.3862417 0.4619979 0.3996229 -1.2170134 26 O -1.3269439 0.3153225 -0.1911615 0.5329411 -2.7313576 0.2359194 -0.1829132 0.3323469 -1.3236398 27 O -3.0182430 0.4299220 -0.1266540 0.1575312 -1.2636317 -0.0725231 -0.4943365 0.1075973 -1.1720442 28 O -1.3677345 -0.3753965 0.2085207 -1.5912102 -2.7117460 0.3862417 0.4619979 0.3996229 -1.2170134 29 O -1.9372650 0.4006096 -0.2096724 1.0514939 -1.8340992 0.2149790 -0.2476539 -0.0982659 -2.0729303 30 O -1.9372650 -0.4006096 -0.2096724 -1.0514939 -1.8340992 -0.2149790 -0.2476539 0.0982659 -2.0729303 31 O -0.9297660 -0.2850526 -0.4565569 -0.2855715 -0.3270699 -0.9938154 -0.4224874 -0.9218224 -1.7242818 32 O -1.3269439 0.3153225 -0.1911615 0.5329411 -2.7313576 0.2359194 -0.1829132 0.3323469 -1.3236398 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 12), data: (524, 26) @ (26, 12) |-- (274, 262), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 12), data: (524, 26) @ (26, 12) |-- (274, 262), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 960 - Time: 1.544 Solver_block: 200 / 960 - Time: 1.450 Solver_block: 300 / 960 - Time: 1.446 Solver_block: 400 / 960 - Time: 1.451 Solver_block: 500 / 960 - Time: 1.451 Solver_block: 600 / 960 - Time: 1.453 Solver_block: 700 / 960 - Time: 1.451 Solver_block: 800 / 960 - Time: 1.451 Solver_block: 900 / 960 - Time: 1.449 Solver_block: 960 / 960 - Time: 0.944 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.446 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 12), data: (524, 26) @ (26, 12) |-- (274, 262), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 12), data: (524, 26) @ (26, 12) |-- (274, 262), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 15:43:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:43:56]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.326847899733180 0.000000000000000 0.000000000000000 b 0.000000000000000 10.196587109999998 0.000000000000000 c -1.031926546176775 0.000000000000000 5.565944517074624 Atomic positions (fractional): 1 Al 0.85355227358562 0.67735949822466 0.06593584072954 26.982 2 Al 0.14644772641438 0.32264050177534 0.93406415927046 26.982 3 Al 0.85355227358562 0.82264050177534 0.56593584072954 26.982 4 Al 0.14644772641438 0.17735949822466 0.43406415927046 26.982 5 Cu 0.46005315470455 0.35728022766615 0.40668897675147 63.546 6 Cu 0.46005315470455 0.14271977233385 0.90668897675147 63.546 7 Cu 0.53994684529545 0.64271977233385 0.59331102324853 63.546 8 Cu 0.53994684529545 0.85728022766615 0.09331102324853 63.546 9 As 0.27418653222168 0.61102032064227 0.08018705890508 74.922 10 As 0.72581346777832 0.11102032064227 0.41981294109492 74.922 11 As 0.27418653222168 0.88897967935773 0.58018705890508 74.922 12 As 0.72581346777832 0.38897967935773 0.91981294109492 74.922 13 O 0.90385966090954 0.20444053032774 0.36878758137732 15.999 14 O 0.62011216164507 0.46078353647992 0.64956798848386 15.999 15 O 0.23598034233042 0.22259592481860 0.73099849656394 15.999 16 O 0.19388244135570 0.48938768300274 0.88720371121727 15.999 17 O 0.76401965766958 0.72259592481860 0.76900150343606 15.999 18 O 0.43268171531454 0.80473870461180 0.45580469768139 15.999 19 O 0.37988783835493 0.53921646352008 0.35043201151614 15.999 20 O 0.37988783835493 0.96078353647992 0.85043201151614 15.999 21 O 0.56731828468546 0.19526129538820 0.54419530231861 15.999 22 O 0.80611755864430 0.51061231699726 0.11279628878273 15.999 23 O 0.90385966090954 0.29555946967226 0.86878758137732 15.999 24 O 0.09614033909046 0.79555946967226 0.63121241862268 15.999 25 O 0.43268171531454 0.69526129538820 0.95580469768139 15.999 26 O 0.19388244135570 0.01061231699726 0.38720371121727 15.999 27 O 0.09614033909046 0.70444053032774 0.13121241862268 15.999 28 O 0.56731828468546 0.30473870461180 0.04419530231861 15.999 29 O 0.76401965766958 0.77740407518140 0.26900150343606 15.999 30 O 0.23598034233042 0.27740407518140 0.23099849656394 15.999 31 O 0.62011216164507 0.03921646352008 0.14956798848386 15.999 32 O 0.80611755864430 0.98938768300274 0.61279628878273 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.653695799466361 0.000000000000000 0.000000000000000 b 0.000000000000000 10.196587109999998 0.000000000000000 c -2.063853092353550 0.000000000000000 11.131889034149248 Atomic positions (fractional): 1 Al 0.42677613679281 0.67735949822466 0.03296792036477 26.982 > 1 2 Al 0.92677613679281 0.67735949822466 0.03296792036477 26.982 > 1 3 Al 0.42677613679281 0.67735949822466 0.53296792036477 26.982 > 1 4 Al 0.92677613679281 0.67735949822466 0.53296792036477 26.982 > 1 5 Al 0.07322386320719 0.32264050177534 0.46703207963523 26.982 > 5 6 Al 0.57322386320719 0.32264050177534 0.46703207963523 26.982 > 5 7 Al 0.07322386320719 0.32264050177534 0.96703207963523 26.982 > 5 8 Al 0.57322386320719 0.32264050177534 0.96703207963523 26.982 > 5 9 Al 0.42677613679281 0.82264050177534 0.28296792036477 26.982 > 9 10 Al 0.92677613679281 0.82264050177534 0.28296792036477 26.982 > 9 11 Al 0.42677613679281 0.82264050177534 0.78296792036477 26.982 > 9 12 Al 0.92677613679281 0.82264050177534 0.78296792036477 26.982 > 9 13 Al 0.07322386320719 0.17735949822466 0.21703207963523 26.982 > 13 14 Al 0.57322386320719 0.17735949822466 0.21703207963523 26.982 > 13 15 Al 0.07322386320719 0.17735949822466 0.71703207963523 26.982 > 13 16 Al 0.57322386320719 0.17735949822466 0.71703207963523 26.982 > 13 17 Cu 0.23002657735228 0.35728022766615 0.20334448837574 63.546 > 17 18 Cu 0.73002657735228 0.35728022766615 0.20334448837574 63.546 > 17 19 Cu 0.23002657735228 0.35728022766615 0.70334448837574 63.546 > 17 20 Cu 0.73002657735228 0.35728022766615 0.70334448837574 63.546 > 17 21 Cu 0.23002657735228 0.14271977233385 0.45334448837573 63.546 > 21 22 Cu 0.73002657735228 0.14271977233385 0.45334448837573 63.546 > 21 23 Cu 0.23002657735228 0.14271977233385 0.95334448837573 63.546 > 21 24 Cu 0.73002657735228 0.14271977233385 0.95334448837573 63.546 > 21 25 Cu 0.26997342264772 0.64271977233385 0.29665551162427 63.546 > 25 26 Cu 0.76997342264772 0.64271977233385 0.29665551162427 63.546 > 25 27 Cu 0.26997342264772 0.64271977233385 0.79665551162427 63.546 > 25 28 Cu 0.76997342264772 0.64271977233385 0.79665551162427 63.546 > 25 29 Cu 0.26997342264772 0.85728022766615 0.04665551162426 63.546 > 29 30 Cu 0.76997342264772 0.85728022766615 0.04665551162426 63.546 > 29 31 Cu 0.26997342264772 0.85728022766615 0.54665551162426 63.546 > 29 32 Cu 0.76997342264772 0.85728022766615 0.54665551162426 63.546 > 29 33 As 0.13709326611084 0.61102032064227 0.04009352945254 74.922 > 33 34 As 0.63709326611084 0.61102032064227 0.04009352945254 74.922 > 33 35 As 0.13709326611084 0.61102032064227 0.54009352945254 74.922 > 33 36 As 0.63709326611084 0.61102032064227 0.54009352945254 74.922 > 33 37 As 0.36290673388916 0.11102032064227 0.20990647054746 74.922 > 37 38 As 0.86290673388916 0.11102032064227 0.20990647054746 74.922 > 37 39 As 0.36290673388916 0.11102032064227 0.70990647054746 74.922 > 37 40 As 0.86290673388916 0.11102032064227 0.70990647054746 74.922 > 37 41 As 0.13709326611084 0.88897967935773 0.29009352945254 74.922 > 41 42 As 0.63709326611084 0.88897967935773 0.29009352945254 74.922 > 41 43 As 0.13709326611084 0.88897967935773 0.79009352945254 74.922 > 41 44 As 0.63709326611084 0.88897967935773 0.79009352945254 74.922 > 41 45 As 0.36290673388916 0.38897967935773 0.45990647054746 74.922 > 45 46 As 0.86290673388916 0.38897967935773 0.45990647054746 74.922 > 45 47 As 0.36290673388916 0.38897967935773 0.95990647054746 74.922 > 45 48 As 0.86290673388916 0.38897967935773 0.95990647054746 74.922 > 45 49 O 0.45192983045477 0.20444053032774 0.18439379068866 15.999 > 49 50 O 0.95192983045477 0.20444053032774 0.18439379068866 15.999 > 49 51 O 0.45192983045477 0.20444053032774 0.68439379068866 15.999 > 49 52 O 0.95192983045477 0.20444053032774 0.68439379068866 15.999 > 49 53 O 0.31005608082254 0.46078353647992 0.32478399424193 15.999 > 53 54 O 0.81005608082254 0.46078353647992 0.32478399424193 15.999 > 53 55 O 0.31005608082254 0.46078353647992 0.82478399424193 15.999 > 53 56 O 0.81005608082254 0.46078353647992 0.82478399424193 15.999 > 53 57 O 0.11799017116521 0.22259592481860 0.36549924828197 15.999 > 57 58 O 0.61799017116521 0.22259592481860 0.36549924828197 15.999 > 57 59 O 0.11799017116521 0.22259592481860 0.86549924828197 15.999 > 57 60 O 0.61799017116521 0.22259592481860 0.86549924828197 15.999 > 57 61 O 0.09694122067785 0.48938768300274 0.44360185560863 15.999 > 61 62 O 0.59694122067785 0.48938768300274 0.44360185560863 15.999 > 61 63 O 0.09694122067785 0.48938768300274 0.94360185560863 15.999 > 61 64 O 0.59694122067785 0.48938768300274 0.94360185560863 15.999 > 61 65 O 0.38200982883479 0.72259592481860 0.38450075171803 15.999 > 65 66 O 0.88200982883479 0.72259592481860 0.38450075171803 15.999 > 65 67 O 0.38200982883479 0.72259592481860 0.88450075171803 15.999 > 65 68 O 0.88200982883479 0.72259592481860 0.88450075171803 15.999 > 65 69 O 0.21634085765727 0.80473870461180 0.22790234884069 15.999 > 69 70 O 0.71634085765727 0.80473870461180 0.22790234884069 15.999 > 69 71 O 0.21634085765727 0.80473870461180 0.72790234884069 15.999 > 69 72 O 0.71634085765727 0.80473870461180 0.72790234884069 15.999 > 69 73 O 0.18994391917746 0.53921646352008 0.17521600575807 15.999 > 73 74 O 0.68994391917746 0.53921646352008 0.17521600575807 15.999 > 73 75 O 0.18994391917746 0.53921646352008 0.67521600575807 15.999 > 73 76 O 0.68994391917746 0.53921646352008 0.67521600575807 15.999 > 73 77 O 0.18994391917746 0.96078353647992 0.42521600575807 15.999 > 77 78 O 0.68994391917746 0.96078353647992 0.42521600575807 15.999 > 77 79 O 0.18994391917746 0.96078353647992 0.92521600575807 15.999 > 77 80 O 0.68994391917746 0.96078353647992 0.92521600575807 15.999 > 77 81 O 0.28365914234273 0.19526129538820 0.27209765115931 15.999 > 81 82 O 0.78365914234273 0.19526129538820 0.27209765115931 15.999 > 81 83 O 0.28365914234273 0.19526129538820 0.77209765115931 15.999 > 81 84 O 0.78365914234273 0.19526129538820 0.77209765115931 15.999 > 81 85 O 0.40305877932215 0.51061231699726 0.05639814439137 15.999 > 85 86 O 0.90305877932215 0.51061231699726 0.05639814439137 15.999 > 85 87 O 0.40305877932215 0.51061231699726 0.55639814439137 15.999 > 85 88 O 0.90305877932215 0.51061231699726 0.55639814439137 15.999 > 85 89 O 0.45192983045477 0.29555946967226 0.43439379068866 15.999 > 89 90 O 0.95192983045477 0.29555946967226 0.43439379068866 15.999 > 89 91 O 0.45192983045477 0.29555946967226 0.93439379068866 15.999 > 89 92 O 0.95192983045477 0.29555946967226 0.93439379068866 15.999 > 89 93 O 0.04807016954523 0.79555946967226 0.31560620931134 15.999 > 93 94 O 0.54807016954523 0.79555946967226 0.31560620931134 15.999 > 93 95 O 0.04807016954523 0.79555946967226 0.81560620931134 15.999 > 93 96 O 0.54807016954523 0.79555946967226 0.81560620931134 15.999 > 93 97 O 0.21634085765727 0.69526129538820 0.47790234884069 15.999 > 97 98 O 0.71634085765727 0.69526129538820 0.47790234884069 15.999 > 97 99 O 0.21634085765727 0.69526129538820 0.97790234884069 15.999 > 97 100 O 0.71634085765727 0.69526129538820 0.97790234884069 15.999 > 97 101 O 0.09694122067785 0.01061231699726 0.19360185560863 15.999 > 101 102 O 0.59694122067785 0.01061231699726 0.19360185560863 15.999 > 101 103 O 0.09694122067785 0.01061231699726 0.69360185560863 15.999 > 101 104 O 0.59694122067785 0.01061231699726 0.69360185560863 15.999 > 101 105 O 0.04807016954523 0.70444053032774 0.06560620931134 15.999 > 105 106 O 0.54807016954523 0.70444053032774 0.06560620931134 15.999 > 105 107 O 0.04807016954523 0.70444053032774 0.56560620931134 15.999 > 105 108 O 0.54807016954523 0.70444053032774 0.56560620931134 15.999 > 105 109 O 0.28365914234273 0.30473870461180 0.02209765115931 15.999 > 109 110 O 0.78365914234273 0.30473870461180 0.02209765115931 15.999 > 109 111 O 0.28365914234273 0.30473870461180 0.52209765115931 15.999 > 109 112 O 0.78365914234273 0.30473870461180 0.52209765115931 15.999 > 109 113 O 0.38200982883479 0.77740407518140 0.13450075171803 15.999 > 113 114 O 0.88200982883479 0.77740407518140 0.13450075171803 15.999 > 113 115 O 0.38200982883479 0.77740407518140 0.63450075171803 15.999 > 113 116 O 0.88200982883479 0.77740407518140 0.63450075171803 15.999 > 113 117 O 0.11799017116521 0.27740407518140 0.11549924828197 15.999 > 117 118 O 0.61799017116521 0.27740407518140 0.11549924828197 15.999 > 117 119 O 0.11799017116521 0.27740407518140 0.61549924828197 15.999 > 117 120 O 0.61799017116521 0.27740407518140 0.61549924828197 15.999 > 117 121 O 0.31005608082254 0.03921646352008 0.07478399424193 15.999 > 121 122 O 0.81005608082254 0.03921646352008 0.07478399424193 15.999 > 121 123 O 0.31005608082254 0.03921646352008 0.57478399424193 15.999 > 121 124 O 0.81005608082254 0.03921646352008 0.57478399424193 15.999 > 121 125 O 0.40305877932215 0.98938768300274 0.30639814439137 15.999 > 125 126 O 0.90305877932215 0.98938768300274 0.30639814439137 15.999 > 125 127 O 0.40305877932215 0.98938768300274 0.80639814439137 15.999 > 125 128 O 0.90305877932215 0.98938768300274 0.80639814439137 15.999 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1220767 0.0000000 0.7135108 0.0000000 7.0141002 0.0000000 0.7097641 0.0000000 4.8016945 -------------------------- Born effective charges -------------------------- 1 Al 3.5129391 -0.0908074 0.2216457 -0.5476736 2.9734641 0.9112010 0.3430274 0.1906122 2.5340889 2 Al 3.5129391 -0.0908074 0.2216457 -0.5476736 2.9734641 0.9112010 0.3430274 0.1906122 2.5340889 3 Al 3.5129391 0.0908074 0.2216457 0.5476736 2.9734641 -0.9112010 0.3430274 -0.1906122 2.5340889 4 Al 3.5129391 0.0908074 0.2216457 0.5476736 2.9734641 -0.9112010 0.3430274 -0.1906122 2.5340889 5 Cu 1.3747596 -0.1538323 0.3061933 -0.0983979 1.5032358 -0.5275945 0.2468579 -0.2108396 1.3472689 6 Cu 1.3747596 0.1538323 0.3061933 0.0983979 1.5032358 0.5275945 0.2468579 0.2108396 1.3472689 7 Cu 1.3747596 -0.1538323 0.3061933 -0.0983979 1.5032358 -0.5275945 0.2468579 -0.2108396 1.3472689 8 Cu 1.3747596 0.1538323 0.3061933 0.0983979 1.5032358 0.5275945 0.2468579 0.2108396 1.3472689 9 As 3.6922537 -0.3626928 0.2476850 1.4847133 4.3912046 -1.1907927 0.2955077 -0.6368278 3.6285518 10 As 3.6922537 0.3626928 0.2476850 -1.4847133 4.3912046 1.1907927 0.2955077 0.6368278 3.6285518 11 As 3.6922537 0.3626928 0.2476850 -1.4847133 4.3912046 1.1907927 0.2955077 0.6368278 3.6285518 12 As 3.6922537 -0.3626928 0.2476850 1.4847133 4.3912046 -1.1907927 0.2955077 -0.6368278 3.6285518 13 O -3.0182430 -0.4299220 -0.1266540 -0.1575312 -1.2636317 0.0725231 -0.4943365 -0.1075973 -1.1720442 14 O -0.9297660 0.2850526 -0.4565569 0.2855715 -0.3270699 0.9938154 -0.4224874 0.9218224 -1.7242818 15 O -1.9372650 0.4006096 -0.2096724 1.0514939 -1.8340992 0.2149790 -0.2476539 -0.0982659 -2.0729303 16 O -1.3269439 -0.3153225 -0.1911615 -0.5329411 -2.7313576 -0.2359194 -0.1829132 -0.3323469 -1.3236398 17 O -1.9372650 -0.4006096 -0.2096724 -1.0514939 -1.8340992 -0.2149790 -0.2476539 0.0982659 -2.0729303 18 O -1.3677345 0.3753965 0.2085207 1.5912102 -2.7117460 -0.3862417 0.4619979 -0.3996229 -1.2170134 19 O -0.9297660 0.2850526 -0.4565569 0.2855715 -0.3270699 0.9938154 -0.4224874 0.9218224 -1.7242818 20 O -0.9297660 -0.2850526 -0.4565569 -0.2855715 -0.3270699 -0.9938154 -0.4224874 -0.9218224 -1.7242818 21 O -1.3677345 0.3753965 0.2085207 1.5912102 -2.7117460 -0.3862417 0.4619979 -0.3996229 -1.2170134 22 O -1.3269439 -0.3153225 -0.1911615 -0.5329411 -2.7313576 -0.2359194 -0.1829132 -0.3323469 -1.3236398 23 O -3.0182430 0.4299220 -0.1266540 0.1575312 -1.2636317 -0.0725231 -0.4943365 0.1075973 -1.1720442 24 O -3.0182430 -0.4299220 -0.1266540 -0.1575312 -1.2636317 0.0725231 -0.4943365 -0.1075973 -1.1720442 25 O -1.3677345 -0.3753965 0.2085207 -1.5912102 -2.7117460 0.3862417 0.4619979 0.3996229 -1.2170134 26 O -1.3269439 0.3153225 -0.1911615 0.5329411 -2.7313576 0.2359194 -0.1829132 0.3323469 -1.3236398 27 O -3.0182430 0.4299220 -0.1266540 0.1575312 -1.2636317 -0.0725231 -0.4943365 0.1075973 -1.1720442 28 O -1.3677345 -0.3753965 0.2085207 -1.5912102 -2.7117460 0.3862417 0.4619979 0.3996229 -1.2170134 29 O -1.9372650 0.4006096 -0.2096724 1.0514939 -1.8340992 0.2149790 -0.2476539 -0.0982659 -2.0729303 30 O -1.9372650 -0.4006096 -0.2096724 -1.0514939 -1.8340992 -0.2149790 -0.2476539 0.0982659 -2.0729303 31 O -0.9297660 -0.2850526 -0.4565569 -0.2855715 -0.3270699 -0.9938154 -0.4224874 -0.9218224 -1.7242818 32 O -1.3269439 0.3153225 -0.1911615 0.5329411 -2.7313576 0.2359194 -0.1829132 0.3323469 -1.3236398 ---------------------------------------------------------------------------- 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 61, 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (zx) 0.00000002 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:44:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:44:47]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.326847899733180 0.000000000000000 0.000000000000000 b 0.000000000000000 10.196587109999998 0.000000000000000 c -1.031926546176775 0.000000000000000 5.565944517074624 Atomic positions (fractional): 1 Al 0.85355227358562 0.67735949822466 0.06593584072954 26.982 2 Al 0.14644772641438 0.32264050177534 0.93406415927046 26.982 3 Al 0.85355227358562 0.82264050177534 0.56593584072954 26.982 4 Al 0.14644772641438 0.17735949822466 0.43406415927046 26.982 5 Cu 0.46005315470455 0.35728022766615 0.40668897675147 63.546 6 Cu 0.46005315470455 0.14271977233385 0.90668897675147 63.546 7 Cu 0.53994684529545 0.64271977233385 0.59331102324853 63.546 8 Cu 0.53994684529545 0.85728022766615 0.09331102324853 63.546 9 As 0.27418653222168 0.61102032064227 0.08018705890508 74.922 10 As 0.72581346777832 0.11102032064227 0.41981294109492 74.922 11 As 0.27418653222168 0.88897967935773 0.58018705890508 74.922 12 As 0.72581346777832 0.38897967935773 0.91981294109492 74.922 13 O 0.90385966090954 0.20444053032774 0.36878758137732 15.999 14 O 0.62011216164507 0.46078353647992 0.64956798848386 15.999 15 O 0.23598034233042 0.22259592481860 0.73099849656394 15.999 16 O 0.19388244135570 0.48938768300274 0.88720371121727 15.999 17 O 0.76401965766958 0.72259592481860 0.76900150343606 15.999 18 O 0.43268171531454 0.80473870461180 0.45580469768139 15.999 19 O 0.37988783835493 0.53921646352008 0.35043201151614 15.999 20 O 0.37988783835493 0.96078353647992 0.85043201151614 15.999 21 O 0.56731828468546 0.19526129538820 0.54419530231861 15.999 22 O 0.80611755864430 0.51061231699726 0.11279628878273 15.999 23 O 0.90385966090954 0.29555946967226 0.86878758137732 15.999 24 O 0.09614033909046 0.79555946967226 0.63121241862268 15.999 25 O 0.43268171531454 0.69526129538820 0.95580469768139 15.999 26 O 0.19388244135570 0.01061231699726 0.38720371121727 15.999 27 O 0.09614033909046 0.70444053032774 0.13121241862268 15.999 28 O 0.56731828468546 0.30473870461180 0.04419530231861 15.999 29 O 0.76401965766958 0.77740407518140 0.26900150343606 15.999 30 O 0.23598034233042 0.27740407518140 0.23099849656394 15.999 31 O 0.62011216164507 0.03921646352008 0.14956798848386 15.999 32 O 0.80611755864430 0.98938768300274 0.61279628878273 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.653695799466361 0.000000000000000 0.000000000000000 b 0.000000000000000 10.196587109999998 0.000000000000000 c -2.063853092353550 0.000000000000000 11.131889034149248 Atomic positions (fractional): 1 Al 0.42677613679281 0.67735949822466 0.03296792036477 26.982 > 1 2 Al 0.92677613679281 0.67735949822466 0.03296792036477 26.982 > 1 3 Al 0.42677613679281 0.67735949822466 0.53296792036477 26.982 > 1 4 Al 0.92677613679281 0.67735949822466 0.53296792036477 26.982 > 1 5 Al 0.07322386320719 0.32264050177534 0.46703207963523 26.982 > 5 6 Al 0.57322386320719 0.32264050177534 0.46703207963523 26.982 > 5 7 Al 0.07322386320719 0.32264050177534 0.96703207963523 26.982 > 5 8 Al 0.57322386320719 0.32264050177534 0.96703207963523 26.982 > 5 9 Al 0.42677613679281 0.82264050177534 0.28296792036477 26.982 > 9 10 Al 0.92677613679281 0.82264050177534 0.28296792036477 26.982 > 9 11 Al 0.42677613679281 0.82264050177534 0.78296792036477 26.982 > 9 12 Al 0.92677613679281 0.82264050177534 0.78296792036477 26.982 > 9 13 Al 0.07322386320719 0.17735949822466 0.21703207963523 26.982 > 13 14 Al 0.57322386320719 0.17735949822466 0.21703207963523 26.982 > 13 15 Al 0.07322386320719 0.17735949822466 0.71703207963523 26.982 > 13 16 Al 0.57322386320719 0.17735949822466 0.71703207963523 26.982 > 13 17 Cu 0.23002657735228 0.35728022766615 0.20334448837574 63.546 > 17 18 Cu 0.73002657735228 0.35728022766615 0.20334448837574 63.546 > 17 19 Cu 0.23002657735228 0.35728022766615 0.70334448837574 63.546 > 17 20 Cu 0.73002657735228 0.35728022766615 0.70334448837574 63.546 > 17 21 Cu 0.23002657735228 0.14271977233385 0.45334448837573 63.546 > 21 22 Cu 0.73002657735228 0.14271977233385 0.45334448837573 63.546 > 21 23 Cu 0.23002657735228 0.14271977233385 0.95334448837573 63.546 > 21 24 Cu 0.73002657735228 0.14271977233385 0.95334448837573 63.546 > 21 25 Cu 0.26997342264772 0.64271977233385 0.29665551162427 63.546 > 25 26 Cu 0.76997342264772 0.64271977233385 0.29665551162427 63.546 > 25 27 Cu 0.26997342264772 0.64271977233385 0.79665551162427 63.546 > 25 28 Cu 0.76997342264772 0.64271977233385 0.79665551162427 63.546 > 25 29 Cu 0.26997342264772 0.85728022766615 0.04665551162426 63.546 > 29 30 Cu 0.76997342264772 0.85728022766615 0.04665551162426 63.546 > 29 31 Cu 0.26997342264772 0.85728022766615 0.54665551162426 63.546 > 29 32 Cu 0.76997342264772 0.85728022766615 0.54665551162426 63.546 > 29 33 As 0.13709326611084 0.61102032064227 0.04009352945254 74.922 > 33 34 As 0.63709326611084 0.61102032064227 0.04009352945254 74.922 > 33 35 As 0.13709326611084 0.61102032064227 0.54009352945254 74.922 > 33 36 As 0.63709326611084 0.61102032064227 0.54009352945254 74.922 > 33 37 As 0.36290673388916 0.11102032064227 0.20990647054746 74.922 > 37 38 As 0.86290673388916 0.11102032064227 0.20990647054746 74.922 > 37 39 As 0.36290673388916 0.11102032064227 0.70990647054746 74.922 > 37 40 As 0.86290673388916 0.11102032064227 0.70990647054746 74.922 > 37 41 As 0.13709326611084 0.88897967935773 0.29009352945254 74.922 > 41 42 As 0.63709326611084 0.88897967935773 0.29009352945254 74.922 > 41 43 As 0.13709326611084 0.88897967935773 0.79009352945254 74.922 > 41 44 As 0.63709326611084 0.88897967935773 0.79009352945254 74.922 > 41 45 As 0.36290673388916 0.38897967935773 0.45990647054746 74.922 > 45 46 As 0.86290673388916 0.38897967935773 0.45990647054746 74.922 > 45 47 As 0.36290673388916 0.38897967935773 0.95990647054746 74.922 > 45 48 As 0.86290673388916 0.38897967935773 0.95990647054746 74.922 > 45 49 O 0.45192983045477 0.20444053032774 0.18439379068866 15.999 > 49 50 O 0.95192983045477 0.20444053032774 0.18439379068866 15.999 > 49 51 O 0.45192983045477 0.20444053032774 0.68439379068866 15.999 > 49 52 O 0.95192983045477 0.20444053032774 0.68439379068866 15.999 > 49 53 O 0.31005608082254 0.46078353647992 0.32478399424193 15.999 > 53 54 O 0.81005608082254 0.46078353647992 0.32478399424193 15.999 > 53 55 O 0.31005608082254 0.46078353647992 0.82478399424193 15.999 > 53 56 O 0.81005608082254 0.46078353647992 0.82478399424193 15.999 > 53 57 O 0.11799017116521 0.22259592481860 0.36549924828197 15.999 > 57 58 O 0.61799017116521 0.22259592481860 0.36549924828197 15.999 > 57 59 O 0.11799017116521 0.22259592481860 0.86549924828197 15.999 > 57 60 O 0.61799017116521 0.22259592481860 0.86549924828197 15.999 > 57 61 O 0.09694122067785 0.48938768300274 0.44360185560863 15.999 > 61 62 O 0.59694122067785 0.48938768300274 0.44360185560863 15.999 > 61 63 O 0.09694122067785 0.48938768300274 0.94360185560863 15.999 > 61 64 O 0.59694122067785 0.48938768300274 0.94360185560863 15.999 > 61 65 O 0.38200982883479 0.72259592481860 0.38450075171803 15.999 > 65 66 O 0.88200982883479 0.72259592481860 0.38450075171803 15.999 > 65 67 O 0.38200982883479 0.72259592481860 0.88450075171803 15.999 > 65 68 O 0.88200982883479 0.72259592481860 0.88450075171803 15.999 > 65 69 O 0.21634085765727 0.80473870461180 0.22790234884069 15.999 > 69 70 O 0.71634085765727 0.80473870461180 0.22790234884069 15.999 > 69 71 O 0.21634085765727 0.80473870461180 0.72790234884069 15.999 > 69 72 O 0.71634085765727 0.80473870461180 0.72790234884069 15.999 > 69 73 O 0.18994391917746 0.53921646352008 0.17521600575807 15.999 > 73 74 O 0.68994391917746 0.53921646352008 0.17521600575807 15.999 > 73 75 O 0.18994391917746 0.53921646352008 0.67521600575807 15.999 > 73 76 O 0.68994391917746 0.53921646352008 0.67521600575807 15.999 > 73 77 O 0.18994391917746 0.96078353647992 0.42521600575807 15.999 > 77 78 O 0.68994391917746 0.96078353647992 0.42521600575807 15.999 > 77 79 O 0.18994391917746 0.96078353647992 0.92521600575807 15.999 > 77 80 O 0.68994391917746 0.96078353647992 0.92521600575807 15.999 > 77 81 O 0.28365914234273 0.19526129538820 0.27209765115931 15.999 > 81 82 O 0.78365914234273 0.19526129538820 0.27209765115931 15.999 > 81 83 O 0.28365914234273 0.19526129538820 0.77209765115931 15.999 > 81 84 O 0.78365914234273 0.19526129538820 0.77209765115931 15.999 > 81 85 O 0.40305877932215 0.51061231699726 0.05639814439137 15.999 > 85 86 O 0.90305877932215 0.51061231699726 0.05639814439137 15.999 > 85 87 O 0.40305877932215 0.51061231699726 0.55639814439137 15.999 > 85 88 O 0.90305877932215 0.51061231699726 0.55639814439137 15.999 > 85 89 O 0.45192983045477 0.29555946967226 0.43439379068866 15.999 > 89 90 O 0.95192983045477 0.29555946967226 0.43439379068866 15.999 > 89 91 O 0.45192983045477 0.29555946967226 0.93439379068866 15.999 > 89 92 O 0.95192983045477 0.29555946967226 0.93439379068866 15.999 > 89 93 O 0.04807016954523 0.79555946967226 0.31560620931134 15.999 > 93 94 O 0.54807016954523 0.79555946967226 0.31560620931134 15.999 > 93 95 O 0.04807016954523 0.79555946967226 0.81560620931134 15.999 > 93 96 O 0.54807016954523 0.79555946967226 0.81560620931134 15.999 > 93 97 O 0.21634085765727 0.69526129538820 0.47790234884069 15.999 > 97 98 O 0.71634085765727 0.69526129538820 0.47790234884069 15.999 > 97 99 O 0.21634085765727 0.69526129538820 0.97790234884069 15.999 > 97 100 O 0.71634085765727 0.69526129538820 0.97790234884069 15.999 > 97 101 O 0.09694122067785 0.01061231699726 0.19360185560863 15.999 > 101 102 O 0.59694122067785 0.01061231699726 0.19360185560863 15.999 > 101 103 O 0.09694122067785 0.01061231699726 0.69360185560863 15.999 > 101 104 O 0.59694122067785 0.01061231699726 0.69360185560863 15.999 > 101 105 O 0.04807016954523 0.70444053032774 0.06560620931134 15.999 > 105 106 O 0.54807016954523 0.70444053032774 0.06560620931134 15.999 > 105 107 O 0.04807016954523 0.70444053032774 0.56560620931134 15.999 > 105 108 O 0.54807016954523 0.70444053032774 0.56560620931134 15.999 > 105 109 O 0.28365914234273 0.30473870461180 0.02209765115931 15.999 > 109 110 O 0.78365914234273 0.30473870461180 0.02209765115931 15.999 > 109 111 O 0.28365914234273 0.30473870461180 0.52209765115931 15.999 > 109 112 O 0.78365914234273 0.30473870461180 0.52209765115931 15.999 > 109 113 O 0.38200982883479 0.77740407518140 0.13450075171803 15.999 > 113 114 O 0.88200982883479 0.77740407518140 0.13450075171803 15.999 > 113 115 O 0.38200982883479 0.77740407518140 0.63450075171803 15.999 > 113 116 O 0.88200982883479 0.77740407518140 0.63450075171803 15.999 > 113 117 O 0.11799017116521 0.27740407518140 0.11549924828197 15.999 > 117 118 O 0.61799017116521 0.27740407518140 0.11549924828197 15.999 > 117 119 O 0.11799017116521 0.27740407518140 0.61549924828197 15.999 > 117 120 O 0.61799017116521 0.27740407518140 0.61549924828197 15.999 > 117 121 O 0.31005608082254 0.03921646352008 0.07478399424193 15.999 > 121 122 O 0.81005608082254 0.03921646352008 0.07478399424193 15.999 > 121 123 O 0.31005608082254 0.03921646352008 0.57478399424193 15.999 > 121 124 O 0.81005608082254 0.03921646352008 0.57478399424193 15.999 > 121 125 O 0.40305877932215 0.98938768300274 0.30639814439137 15.999 > 125 126 O 0.90305877932215 0.98938768300274 0.30639814439137 15.999 > 125 127 O 0.40305877932215 0.98938768300274 0.80639814439137 15.999 > 125 128 O 0.90305877932215 0.98938768300274 0.80639814439137 15.999 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.1220767 0.0000000 0.7135108 0.0000000 7.0141002 0.0000000 0.7097641 0.0000000 4.8016945 -------------------------- Born effective charges -------------------------- 1 Al 3.5129391 -0.0908074 0.2216457 -0.5476736 2.9734641 0.9112010 0.3430274 0.1906122 2.5340889 2 Al 3.5129391 -0.0908074 0.2216457 -0.5476736 2.9734641 0.9112010 0.3430274 0.1906122 2.5340889 3 Al 3.5129391 0.0908074 0.2216457 0.5476736 2.9734641 -0.9112010 0.3430274 -0.1906122 2.5340889 4 Al 3.5129391 0.0908074 0.2216457 0.5476736 2.9734641 -0.9112010 0.3430274 -0.1906122 2.5340889 5 Cu 1.3747596 -0.1538323 0.3061933 -0.0983979 1.5032358 -0.5275945 0.2468579 -0.2108396 1.3472689 6 Cu 1.3747596 0.1538323 0.3061933 0.0983979 1.5032358 0.5275945 0.2468579 0.2108396 1.3472689 7 Cu 1.3747596 -0.1538323 0.3061933 -0.0983979 1.5032358 -0.5275945 0.2468579 -0.2108396 1.3472689 8 Cu 1.3747596 0.1538323 0.3061933 0.0983979 1.5032358 0.5275945 0.2468579 0.2108396 1.3472689 9 As 3.6922537 -0.3626928 0.2476850 1.4847133 4.3912046 -1.1907927 0.2955077 -0.6368278 3.6285518 10 As 3.6922537 0.3626928 0.2476850 -1.4847133 4.3912046 1.1907927 0.2955077 0.6368278 3.6285518 11 As 3.6922537 0.3626928 0.2476850 -1.4847133 4.3912046 1.1907927 0.2955077 0.6368278 3.6285518 12 As 3.6922537 -0.3626928 0.2476850 1.4847133 4.3912046 -1.1907927 0.2955077 -0.6368278 3.6285518 13 O -3.0182430 -0.4299220 -0.1266540 -0.1575312 -1.2636317 0.0725231 -0.4943365 -0.1075973 -1.1720442 14 O -0.9297660 0.2850526 -0.4565569 0.2855715 -0.3270699 0.9938154 -0.4224874 0.9218224 -1.7242818 15 O -1.9372650 0.4006096 -0.2096724 1.0514939 -1.8340992 0.2149790 -0.2476539 -0.0982659 -2.0729303 16 O -1.3269439 -0.3153225 -0.1911615 -0.5329411 -2.7313576 -0.2359194 -0.1829132 -0.3323469 -1.3236398 17 O -1.9372650 -0.4006096 -0.2096724 -1.0514939 -1.8340992 -0.2149790 -0.2476539 0.0982659 -2.0729303 18 O -1.3677345 0.3753965 0.2085207 1.5912102 -2.7117460 -0.3862417 0.4619979 -0.3996229 -1.2170134 19 O -0.9297660 0.2850526 -0.4565569 0.2855715 -0.3270699 0.9938154 -0.4224874 0.9218224 -1.7242818 20 O -0.9297660 -0.2850526 -0.4565569 -0.2855715 -0.3270699 -0.9938154 -0.4224874 -0.9218224 -1.7242818 21 O -1.3677345 0.3753965 0.2085207 1.5912102 -2.7117460 -0.3862417 0.4619979 -0.3996229 -1.2170134 22 O -1.3269439 -0.3153225 -0.1911615 -0.5329411 -2.7313576 -0.2359194 -0.1829132 -0.3323469 -1.3236398 23 O -3.0182430 0.4299220 -0.1266540 0.1575312 -1.2636317 -0.0725231 -0.4943365 0.1075973 -1.1720442 24 O -3.0182430 -0.4299220 -0.1266540 -0.1575312 -1.2636317 0.0725231 -0.4943365 -0.1075973 -1.1720442 25 O -1.3677345 -0.3753965 0.2085207 -1.5912102 -2.7117460 0.3862417 0.4619979 0.3996229 -1.2170134 26 O -1.3269439 0.3153225 -0.1911615 0.5329411 -2.7313576 0.2359194 -0.1829132 0.3323469 -1.3236398 27 O -3.0182430 0.4299220 -0.1266540 0.1575312 -1.2636317 -0.0725231 -0.4943365 0.1075973 -1.1720442 28 O -1.3677345 -0.3753965 0.2085207 -1.5912102 -2.7117460 0.3862417 0.4619979 0.3996229 -1.2170134 29 O -1.9372650 0.4006096 -0.2096724 1.0514939 -1.8340992 0.2149790 -0.2476539 -0.0982659 -2.0729303 30 O -1.9372650 -0.4006096 -0.2096724 -1.0514939 -1.8340992 -0.2149790 -0.2476539 0.0982659 -2.0729303 31 O -0.9297660 -0.2850526 -0.4565569 -0.2855715 -0.3270699 -0.9938154 -0.4224874 -0.9218224 -1.7242818 32 O -1.3269439 0.3153225 -0.1911615 0.5329411 -2.7313576 0.2359194 -0.1829132 0.3323469 -1.3236398 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (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 ... [ 7 5 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.56, Number of G-points: 291, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/96) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.005 ( 0.000 0.000 0.000) 0.000 2.543 ( 0.000 0.000 0.000) 0.000 2.869 ( 0.000 0.000 0.000) 0.000 3.005 ( 0.000 0.000 0.000) 0.000 3.128 ( 0.000 0.000 0.000) 0.000 3.361 ( 0.000 0.000 0.000) 0.000 3.376 ( 0.000 0.000 0.000) 0.000 3.460 ( 0.000 0.000 0.000) 0.000 3.554 ( 0.000 0.000 0.000) 0.000 3.654 ( 0.000 0.000 0.000) 0.000 3.900 ( 0.000 0.000 0.000) 0.000 3.967 ( 0.000 0.000 0.000) 0.000 4.269 ( 0.000 0.000 0.000) 0.000 4.344 ( 0.000 0.000 0.000) 0.000 4.345 ( 0.000 0.000 0.000) 0.000 4.655 ( 0.000 0.000 0.000) 0.000 4.836 ( 0.000 0.000 0.000) 0.000 5.071 ( 0.000 0.000 0.000) 0.000 5.225 ( 0.000 0.000 0.000) 0.000 5.252 ( 0.000 0.000 0.000) 0.000 5.353 ( 0.000 0.000 0.000) 0.000 5.569 ( 0.000 0.000 0.000) 0.000 6.047 ( 0.000 0.000 0.000) 0.000 6.255 ( 0.000 0.000 0.000) 0.000 6.259 ( 0.000 0.000 0.000) 0.000 6.265 ( 0.000 0.000 0.000) 0.000 6.323 ( 0.000 0.000 0.000) 0.000 6.708 ( 0.000 0.000 0.000) 0.000 7.183 ( 0.000 0.000 0.000) 0.000 7.184 ( 0.000 0.000 0.000) 0.000 7.584 ( 0.000 0.000 0.000) 0.000 7.835 ( 0.000 0.000 0.000) 0.000 7.951 ( 0.000 0.000 0.000) 0.000 8.129 ( 0.000 0.000 0.000) 0.000 8.235 ( 0.000 0.000 0.000) 0.000 8.431 ( 0.000 0.000 0.000) 0.000 8.432 ( 0.000 0.000 0.000) 0.000 8.617 ( 0.000 0.000 0.000) 0.000 8.658 ( 0.000 0.000 0.000) 0.000 8.957 ( 0.000 0.000 0.000) 0.000 9.481 ( 0.000 0.000 0.000) 0.000 9.534 ( 0.000 0.000 0.000) 0.000 9.543 ( 0.000 0.000 0.000) 0.000 10.102 ( 0.000 0.000 0.000) 0.000 10.149 ( 0.000 0.000 0.000) 0.000 10.155 ( 0.000 0.000 0.000) 0.000 10.469 ( 0.000 0.000 0.000) 0.000 10.674 ( 0.000 0.000 0.000) 0.000 10.816 ( 0.000 0.000 0.000) 0.000 11.054 ( 0.000 0.000 0.000) 0.000 11.075 ( 0.000 0.000 0.000) 0.000 12.385 ( 0.000 0.000 0.000) 0.000 12.712 ( 0.000 0.000 0.000) 0.000 12.851 ( 0.000 0.000 0.000) 0.000 13.193 ( 0.000 0.000 0.000) 0.000 13.761 ( 0.000 0.000 0.000) 0.000 14.030 ( 0.000 0.000 0.000) 0.000 14.502 ( 0.000 0.000 0.000) 0.000 14.663 ( 0.000 0.000 0.000) 0.000 14.824 ( 0.000 0.000 0.000) 0.000 15.130 ( 0.000 0.000 0.000) 0.000 15.200 ( 0.000 0.000 0.000) 0.000 15.620 ( 0.000 0.000 0.000) 0.000 15.737 ( 0.000 0.000 0.000) 0.000 16.307 ( 0.000 0.000 0.000) 0.000 16.679 ( 0.000 0.000 0.000) 0.000 17.037 ( 0.000 0.000 0.000) 0.000 18.263 ( 0.000 0.000 0.000) 0.000 18.321 ( 0.000 0.000 0.000) 0.000 18.696 ( 0.000 0.000 0.000) 0.000 18.892 ( 0.000 0.000 0.000) 0.000 18.908 ( 0.000 0.000 0.000) 0.000 19.712 ( 0.000 0.000 0.000) 0.000 19.727 ( 0.000 0.000 0.000) 0.000 20.265 ( 0.000 0.000 0.000) 0.000 22.112 ( 0.000 0.000 0.000) 0.000 22.193 ( 0.000 0.000 0.000) 0.000 22.432 ( 0.000 0.000 0.000) 0.000 22.466 ( 0.000 0.000 0.000) 0.000 23.226 ( 0.000 0.000 0.000) 0.000 23.350 ( 0.000 0.000 0.000) 0.000 25.479 ( 0.000 0.000 0.000) 0.000 25.482 ( 0.000 0.000 0.000) 0.000 25.482 ( 0.000 0.000 0.000) 0.000 25.724 ( 0.000 0.000 0.000) 0.000 25.944 ( 0.000 0.000 0.000) 0.000 26.109 ( 0.000 0.000 0.000) 0.000 26.443 ( 0.000 0.000 0.000) 0.000 26.628 ( 0.000 0.000 0.000) 0.000 26.686 ( 0.000 0.000 0.000) 0.000 26.778 ( 0.000 0.000 0.000) 0.000 27.253 ( 0.000 0.000 0.000) 0.000 27.530 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/96) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( 25.709 0.000 9.248) 27.322 0.628 ( 31.128 0.000 3.349) 31.308 1.132 ( 52.188 0.000 16.683) 54.789 2.132 ( 12.048 0.000 -0.504) 12.058 2.535 ( -1.140 0.000 1.025) 1.533 2.898 ( 2.730 0.000 3.110) 4.138 2.919 ( -8.742 0.000 -6.194) 10.713 3.143 ( -3.049 0.000 -0.843) 3.163 3.297 ( -4.922 0.000 0.678) 4.968 3.405 ( -4.487 0.000 -3.037) 5.419 3.468 ( 5.626 0.000 3.367) 6.556 3.604 ( 4.435 0.000 -8.251) 9.368 3.627 ( -3.652 0.000 5.236) 6.384 3.921 ( 4.185 0.000 -2.471) 4.860 3.977 ( -0.049 0.000 1.262) 1.263 4.109 ( -12.076 0.000 -3.837) 12.671 4.309 ( 1.035 0.000 5.447) 5.545 4.569 ( 3.845 0.000 4.360) 5.814 4.734 ( 13.745 0.000 5.153) 14.680 4.817 ( -0.925 0.000 0.047) 0.926 5.043 ( -3.527 0.000 -3.846) 5.218 5.214 ( -6.647 0.000 -6.753) 9.476 5.230 ( 4.829 0.000 -1.497) 5.056 5.415 ( 7.687 0.000 2.709) 8.150 5.626 ( -0.978 0.000 2.848) 3.011 5.835 ( -14.096 0.000 0.332) 14.100 6.202 ( -7.760 0.000 -3.312) 8.437 6.273 ( 2.921 0.000 -1.124) 3.130 6.283 ( -0.322 0.000 4.926) 4.936 6.440 ( 10.565 0.000 1.526) 10.674 6.764 ( 2.145 0.000 3.980) 4.521 7.151 ( -3.803 0.000 -1.437) 4.065 7.223 ( -9.753 0.000 0.109) 9.753 7.465 ( -9.183 0.000 -1.201) 9.262 7.738 ( -7.149 0.000 -6.091) 9.392 7.986 ( -0.111 0.000 8.763) 8.764 8.099 ( -21.515 0.000 -10.906) 24.121 8.213 ( 5.703 0.000 2.004) 6.045 8.371 ( -5.736 0.000 -1.206) 5.862 8.403 ( -5.343 0.000 1.951) 5.688 8.613 ( 3.419 0.000 0.087) 3.420 8.812 ( 7.713 0.000 -10.960) 13.402 9.074 ( 8.748 0.000 -0.766) 8.781 9.512 ( -2.267 0.000 -7.395) 7.735 9.595 ( 5.946 0.000 -1.846) 6.226 9.932 ( 3.317 0.000 9.918) 10.458 10.166 ( 0.805 0.000 0.945) 1.241 10.220 ( -0.820 0.000 -3.916) 4.001 10.226 ( 7.723 0.000 -10.223) 12.812 10.512 ( 2.828 0.000 1.275) 3.102 10.705 ( 2.544 0.000 7.569) 7.985 10.827 ( 2.666 0.000 -1.764) 3.197 11.108 ( 2.686 0.000 0.639) 2.761 11.189 ( 3.705 0.000 8.410) 9.189 12.438 ( 3.509 0.000 -6.677) 7.543 12.712 ( 1.845 0.000 1.763) 2.552 12.961 ( 9.031 0.000 -0.212) 9.034 13.164 ( -2.784 0.000 -1.139) 3.008 13.745 ( -1.999 0.000 1.818) 2.702 13.979 ( -5.245 0.000 -0.339) 5.256 14.395 ( -8.741 0.000 -2.361) 9.054 14.635 ( -2.247 0.000 -1.575) 2.744 14.707 ( -8.825 0.000 -4.808) 10.050 15.067 ( -4.458 0.000 -6.255) 7.682 15.476 ( 12.582 0.000 -3.008) 12.937 15.689 ( 4.985 0.000 6.015) 7.812 15.775 ( 2.779 0.000 2.366) 3.650 16.311 ( 0.213 0.000 0.517) 0.560 16.678 ( -0.322 0.000 0.825) 0.886 17.133 ( 3.106 0.000 -6.440) 7.150 18.264 ( -0.051 0.000 0.634) 0.636 18.304 ( -1.569 0.000 -0.025) 1.569 18.851 ( -2.798 0.000 -5.484) 6.157 18.923 ( 1.876 0.000 -2.155) 2.858 19.672 ( -3.415 0.000 -1.320) 3.661 19.735 ( 0.242 0.000 1.645) 1.662 20.010 ( 0.897 0.000 -11.763) 11.797 20.503 ( -4.525 0.000 59.639) 59.810 22.122 ( 1.141 0.000 -0.779) 1.382 22.190 ( -0.202 0.000 -0.449) 0.493 22.422 ( -0.880 0.000 -0.016) 0.880 22.667 ( 4.043 0.000 -15.222) 15.749 23.174 ( -4.694 0.000 -1.568) 4.949 23.303 ( -4.454 0.000 -1.348) 4.653 25.478 ( -0.241 0.000 1.016) 1.044 25.479 ( -0.343 0.000 0.341) 0.484 25.488 ( 1.019 0.000 -4.364) 4.482 25.728 ( 0.303 0.000 -0.218) 0.374 25.942 ( -0.304 0.000 0.850) 0.903 26.095 ( -1.175 0.000 0.214) 1.194 26.484 ( 3.752 0.000 0.412) 3.774 26.696 ( 0.954 0.000 0.069) 0.956 26.781 ( 0.354 0.000 -0.167) 0.392 27.274 ( 1.994 0.000 0.035) 1.995 27.496 ( -1.221 0.000 3.918) 4.103 28.339 ( 4.951 0.000 -26.799) 27.252 ======================= Grid point 2 (3/96) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 21.869 0.000 7.606) 23.154 1.225 ( 28.353 0.000 3.123) 28.524 2.068 ( 35.039 0.000 9.485) 36.300 2.399 ( 13.145 0.000 0.473) 13.154 2.510 ( -1.622 0.000 1.250) 2.048 2.778 ( -2.367 0.000 2.266) 3.276 2.964 ( -1.427 0.000 2.009) 2.464 3.034 ( -6.067 0.000 -0.252) 6.072 3.180 ( -4.141 0.000 3.280) 5.283 3.332 ( -1.728 0.000 -5.134) 5.417 3.506 ( -5.556 0.000 2.448) 6.071 3.618 ( 2.547 0.000 6.557) 7.034 3.636 ( 0.699 0.000 -3.845) 3.908 3.843 ( -8.525 0.000 -1.621) 8.678 4.012 ( -0.197 0.000 -0.995) 1.014 4.057 ( 10.263 0.000 -3.055) 10.708 4.356 ( 1.465 0.000 3.439) 3.738 4.572 ( -1.222 0.000 1.964) 2.313 4.801 ( -6.927 0.000 -8.370) 10.864 4.850 ( 4.375 0.000 2.146) 4.873 5.087 ( 2.984 0.000 1.014) 3.152 5.303 ( 18.688 0.000 8.951) 20.722 5.339 ( -5.092 0.000 -2.970) 5.895 5.383 ( 1.542 0.000 -0.695) 1.691 5.537 ( -9.306 0.000 1.709) 9.462 5.713 ( -1.218 0.000 6.796) 6.905 5.966 ( -13.100 0.000 -5.705) 14.289 6.346 ( 3.790 0.000 7.573) 8.469 6.370 ( 6.640 0.000 -1.005) 6.716 6.628 ( 7.954 0.000 0.779) 7.993 6.706 ( -9.089 0.000 -3.195) 9.634 6.981 ( -11.072 0.000 -1.189) 11.136 7.038 ( -5.201 0.000 -2.662) 5.843 7.294 ( -7.693 0.000 -2.778) 8.179 7.536 ( -19.699 0.000 -16.049) 25.410 7.717 ( -5.318 0.000 9.335) 10.743 8.000 ( -2.301 0.000 4.532) 5.083 8.152 ( -6.321 0.000 -6.586) 9.129 8.342 ( -0.539 0.000 2.590) 2.646 8.455 ( 9.370 0.000 9.034) 13.016 8.724 ( 5.852 0.000 2.617) 6.410 8.831 ( -0.418 0.000 -12.507) 12.514 9.210 ( 4.940 0.000 -5.086) 7.090 9.398 ( -5.656 0.000 -7.898) 9.714 9.706 ( 5.598 0.000 -3.205) 6.450 9.962 ( -3.452 0.000 3.063) 4.615 10.181 ( 0.382 0.000 -0.890) 0.969 10.236 ( 4.288 0.000 3.436) 5.494 10.349 ( 5.198 0.000 -2.862) 5.934 10.546 ( 0.220 0.000 2.515) 2.525 10.837 ( 6.833 0.000 9.160) 11.428 10.928 ( 7.129 0.000 -1.418) 7.269 11.163 ( 2.321 0.000 0.353) 2.348 11.309 ( 6.293 0.000 1.333) 6.432 12.488 ( 3.049 0.000 -2.792) 4.134 12.829 ( 9.220 0.000 2.357) 9.517 13.082 ( -4.636 0.000 -2.015) 5.055 13.148 ( 9.461 0.000 -0.942) 9.507 13.697 ( -3.865 0.000 3.450) 5.181 13.827 ( -9.600 0.000 -1.368) 9.697 14.222 ( -7.007 0.000 -0.474) 7.023 14.502 ( -9.335 0.000 -5.632) 10.903 14.584 ( -1.978 0.000 -1.431) 2.441 14.946 ( -4.895 0.000 -6.616) 8.230 15.707 ( 10.250 0.000 0.270) 10.253 15.819 ( 5.302 0.000 6.153) 8.122 15.840 ( 2.425 0.000 3.340) 4.127 16.316 ( 0.074 0.000 0.232) 0.244 16.672 ( -0.611 0.000 1.272) 1.411 17.180 ( 2.723 0.000 -1.062) 2.923 18.263 ( -0.265 0.000 0.827) 0.869 18.268 ( -1.791 0.000 -0.084) 1.793 18.768 ( -2.836 0.000 -6.834) 7.399 18.961 ( 2.892 0.000 -2.990) 4.160 19.582 ( -5.003 0.000 -0.334) 5.014 19.746 ( 0.393 0.000 0.981) 1.056 19.978 ( -0.974 0.000 -4.223) 4.333 20.653 ( 3.057 0.000 25.707) 25.888 22.146 ( 1.472 0.000 -1.010) 1.786 22.183 ( -0.269 0.000 -0.585) 0.643 22.404 ( -0.747 0.000 0.119) 0.756 22.709 ( 4.335 0.000 -5.902) 7.323 23.055 ( -6.099 0.000 -2.049) 6.434 23.177 ( -7.484 0.000 -1.720) 7.679 25.474 ( -0.248 0.000 0.371) 0.446 25.478 ( -0.179 0.000 1.160) 1.174 25.492 ( 0.563 0.000 -2.087) 2.162 25.730 ( -0.050 0.000 -0.222) 0.228 25.939 ( -0.378 0.000 1.033) 1.100 26.075 ( -0.817 0.000 0.201) 0.842 26.572 ( 4.574 0.000 0.929) 4.667 26.714 ( 0.572 0.000 -0.440) 0.721 26.790 ( 0.635 0.000 -0.051) 0.637 27.325 ( 2.964 0.000 -0.024) 2.964 27.480 ( -1.412 0.000 1.480) 2.045 28.339 ( 1.980 0.000 -10.738) 10.919 ======================= Grid point 3 (4/96) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 10.020 0.000 3.348) 10.564 1.702 ( 16.488 0.000 1.797) 16.586 2.365 ( 0.522 0.000 -1.897) 1.968 2.490 ( -0.679 0.000 0.790) 1.041 2.677 ( 11.697 0.000 4.891) 12.679 2.765 ( -11.592 0.000 -1.190) 11.653 2.881 ( 6.174 0.000 -1.493) 6.352 2.932 ( -4.391 0.000 4.830) 6.527 3.251 ( 4.115 0.000 2.084) 4.612 3.286 ( -1.203 0.000 -4.241) 4.408 3.427 ( -1.301 0.000 4.195) 4.392 3.618 ( -0.779 0.000 -1.238) 1.463 3.621 ( -3.473 0.000 -1.340) 3.723 3.769 ( 0.104 0.000 0.930) 0.936 3.996 ( -0.835 0.000 -0.396) 0.924 4.251 ( 7.421 0.000 0.327) 7.428 4.402 ( 4.155 0.000 -2.436) 4.816 4.528 ( -6.546 0.000 3.594) 7.467 4.800 ( 13.532 0.000 -0.890) 13.561 4.930 ( 0.147 0.000 0.853) 0.866 5.107 ( -2.262 0.000 -1.351) 2.634 5.217 ( 2.650 0.000 1.462) 3.027 5.239 ( -17.704 0.000 -1.839) 17.799 5.490 ( -1.099 0.000 -1.169) 1.605 5.649 ( -1.164 0.000 -1.658) 2.026 5.681 ( 10.727 0.000 6.488) 12.536 5.749 ( -7.241 0.000 0.672) 7.272 6.436 ( 2.071 0.000 3.230) 3.837 6.474 ( 1.764 0.000 -1.204) 2.136 6.580 ( 3.295 0.000 0.502) 3.333 6.767 ( 5.185 0.000 5.203) 7.345 6.827 ( -5.357 0.000 3.095) 6.186 6.967 ( -1.158 0.000 -6.453) 6.556 7.060 ( -17.975 0.000 -13.612) 22.547 7.144 ( -5.532 0.000 -1.275) 5.677 7.768 ( 2.979 0.000 9.870) 10.310 7.921 ( -4.609 0.000 -4.292) 6.298 8.048 ( -2.289 0.000 -2.375) 3.299 8.399 ( 3.002 0.000 4.616) 5.507 8.681 ( 9.244 0.000 8.510) 12.564 8.750 ( -2.565 0.000 -7.708) 8.124 8.802 ( 0.079 0.000 -0.760) 0.764 9.165 ( -4.434 0.000 -7.037) 8.318 9.336 ( 0.547 0.000 -1.270) 1.383 9.791 ( 4.867 0.000 -4.655) 6.735 9.878 ( -5.480 0.000 4.825) 7.302 10.174 ( -0.317 0.000 -1.064) 1.110 10.333 ( 2.928 0.000 1.568) 3.321 10.404 ( 1.424 0.000 -1.016) 1.750 10.557 ( 0.188 0.000 1.533) 1.545 10.972 ( 3.360 0.000 3.705) 5.001 11.035 ( 3.244 0.000 -0.465) 3.277 11.194 ( 0.811 0.000 0.091) 0.816 11.417 ( 3.497 0.000 0.328) 3.512 12.524 ( 1.149 0.000 -0.879) 1.446 12.995 ( -2.763 0.000 -1.203) 3.013 13.045 ( 9.670 0.000 1.552) 9.794 13.281 ( 3.117 0.000 -1.439) 3.433 13.617 ( -5.824 0.000 3.887) 7.002 13.652 ( -4.362 0.000 -2.567) 5.061 14.145 ( -1.258 0.000 1.118) 1.683 14.336 ( -4.918 0.000 -3.264) 5.902 14.557 ( -0.524 0.000 -0.351) 0.630 14.852 ( -2.282 0.000 -2.925) 3.710 15.844 ( 3.296 0.000 -0.427) 3.324 15.888 ( 1.399 0.000 2.100) 2.524 15.915 ( 2.330 0.000 2.639) 3.520 16.315 ( -0.090 0.000 -0.141) 0.167 16.665 ( -0.358 0.000 0.673) 0.762 17.219 ( 1.156 0.000 0.104) 1.161 18.242 ( -0.740 0.000 -0.055) 0.742 18.260 ( -0.215 0.000 0.367) 0.426 18.709 ( -1.060 0.000 -3.069) 3.247 19.002 ( 1.664 0.000 -1.525) 2.257 19.500 ( -2.649 0.000 0.118) 2.652 19.755 ( 0.185 0.000 0.337) 0.384 19.951 ( -0.610 0.000 -1.175) 1.324 20.770 ( 1.939 0.000 8.079) 8.308 22.165 ( 0.612 0.000 -0.481) 0.778 22.177 ( -0.139 0.000 -0.265) 0.300 22.397 ( -0.128 0.000 0.120) 0.175 22.791 ( 4.729 0.000 -1.854) 5.079 22.955 ( -2.872 0.000 -0.968) 3.031 23.025 ( -6.325 0.000 -0.687) 6.363 25.472 ( -0.063 0.000 0.151) 0.163 25.479 ( -0.057 0.000 0.505) 0.508 25.495 ( 0.191 0.000 -0.680) 0.706 25.726 ( -0.141 0.000 -0.086) 0.165 25.936 ( -0.169 0.000 0.450) 0.481 26.066 ( -0.220 0.000 0.075) 0.233 26.654 ( 3.193 0.000 1.230) 3.422 26.706 ( -1.171 0.000 -1.100) 1.607 26.802 ( 0.436 0.000 0.074) 0.443 27.379 ( 2.186 0.000 -0.126) 2.190 27.453 ( -1.469 0.000 0.524) 1.560 28.339 ( 0.587 0.000 -3.174) 3.228 ======================= Grid point 7 (5/96) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.356 ( 0.000 19.409 0.000) 19.409 0.638 ( 0.000 32.956 0.000) 32.956 0.833 ( 0.000 41.119 0.000) 41.119 1.833 ( 0.000 -15.335 0.000) 15.335 2.499 ( 0.000 -10.932 0.000) 10.932 2.721 ( 0.000 -11.101 0.000) 11.101 2.876 ( 0.000 -22.384 0.000) 22.384 3.063 ( 0.000 0.402 0.000) 0.402 3.083 ( 0.000 -3.359 0.000) 3.359 3.248 ( 0.000 -10.609 0.000) 10.609 3.395 ( 0.000 -0.307 0.000) 0.307 3.686 ( 0.000 0.186 0.000) 0.186 3.835 ( 0.000 8.981 0.000) 8.981 3.856 ( 0.000 -16.398 0.000) 16.398 4.159 ( 0.000 10.088 0.000) 10.088 4.172 ( 0.000 3.959 0.000) 3.959 4.239 ( 0.000 -1.830 0.000) 1.830 4.471 ( 0.000 -2.860 0.000) 2.860 4.589 ( 0.000 6.733 0.000) 6.733 5.009 ( 0.000 3.023 0.000) 3.023 5.059 ( 0.000 7.355 0.000) 7.355 5.219 ( 0.000 5.597 0.000) 5.597 5.314 ( 0.000 2.359 0.000) 2.359 5.492 ( 0.000 -5.072 0.000) 5.072 5.660 ( 0.000 16.988 0.000) 16.988 6.162 ( 0.000 -4.100 0.000) 4.100 6.199 ( 0.000 8.032 0.000) 8.032 6.281 ( 0.000 0.679 0.000) 0.679 6.306 ( 0.000 -0.334 0.000) 0.334 6.361 ( 0.000 5.147 0.000) 5.147 6.643 ( 0.000 -5.086 0.000) 5.086 7.140 ( 0.000 -4.557 0.000) 4.557 7.278 ( 0.000 8.068 0.000) 8.068 7.505 ( 0.000 -9.147 0.000) 9.147 7.854 ( 0.000 -0.455 0.000) 0.455 7.862 ( 0.000 -7.730 0.000) 7.730 8.095 ( 0.000 -4.119 0.000) 4.119 8.241 ( 0.000 3.565 0.000) 3.565 8.324 ( 0.000 -8.932 0.000) 8.932 8.461 ( 0.000 1.589 0.000) 1.589 8.643 ( 0.000 2.486 0.000) 2.486 8.769 ( 0.000 5.400 0.000) 5.400 9.149 ( 0.000 4.048 0.000) 4.048 9.437 ( 0.000 -3.371 0.000) 3.371 9.542 ( 0.000 0.638 0.000) 0.638 9.547 ( 0.000 -0.306 0.000) 0.306 9.975 ( 0.000 -7.915 0.000) 7.915 10.175 ( 0.000 4.776 0.000) 4.776 10.399 ( 0.000 -5.132 0.000) 5.132 10.473 ( 0.000 12.341 0.000) 12.341 10.698 ( 0.000 2.226 0.000) 2.226 10.844 ( 0.000 -0.986 0.000) 0.986 10.895 ( 0.000 -6.533 0.000) 6.533 11.217 ( 0.000 3.594 0.000) 3.594 12.337 ( 0.000 -2.534 0.000) 2.534 12.684 ( 0.000 -5.659 0.000) 5.659 12.906 ( 0.000 4.616 0.000) 4.616 13.169 ( 0.000 -2.497 0.000) 2.497 13.898 ( 0.000 0.955 0.000) 0.955 14.019 ( 0.000 -1.295 0.000) 1.295 14.506 ( 0.000 0.548 0.000) 0.548 14.626 ( 0.000 -3.107 0.000) 3.107 14.847 ( 0.000 2.219 0.000) 2.219 15.039 ( 0.000 -4.031 0.000) 4.031 15.409 ( 0.000 14.929 0.000) 14.929 15.645 ( 0.000 1.562 0.000) 1.562 15.731 ( 0.000 -0.592 0.000) 0.592 16.286 ( 0.000 -8.448 0.000) 8.448 16.873 ( 0.000 1.824 0.000) 1.824 17.028 ( 0.000 -1.055 0.000) 1.055 18.284 ( 0.000 1.758 0.000) 1.758 18.316 ( 0.000 -0.348 0.000) 0.348 18.704 ( 0.000 0.762 0.000) 0.762 18.842 ( 0.000 -4.076 0.000) 4.076 19.252 ( 0.000 6.126 0.000) 6.126 19.666 ( 0.000 -4.530 0.000) 4.530 20.232 ( 0.000 0.542 0.000) 0.542 20.264 ( 0.000 -0.151 0.000) 0.151 22.104 ( 0.000 -0.661 0.000) 0.661 22.153 ( 0.000 -2.941 0.000) 2.941 22.565 ( 0.000 8.864 0.000) 8.864 23.239 ( 0.000 1.137 0.000) 1.137 23.241 ( 0.000 -4.441 0.000) 4.441 23.277 ( 0.000 -3.562 0.000) 3.562 25.477 ( 0.000 -0.121 0.000) 0.121 25.480 ( 0.000 -0.152 0.000) 0.152 25.740 ( 0.000 1.569 0.000) 1.569 25.756 ( 0.000 3.746 0.000) 3.746 25.920 ( 0.000 -2.160 0.000) 2.160 26.073 ( 0.000 -3.498 0.000) 3.498 26.449 ( 0.000 0.375 0.000) 0.375 26.543 ( 0.000 -4.083 0.000) 4.083 26.808 ( 0.000 7.806 0.000) 7.806 27.206 ( 0.000 -4.393 0.000) 4.393 27.495 ( 0.000 1.510 0.000) 1.510 27.531 ( 0.000 0.095 0.000) 0.095 ======================= Grid point 8 (6/96) ======================= q-point: ( 0.14 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 19.178 10.905 7.139) 23.188 0.848 ( 22.227 16.957 14.102) 31.312 1.485 ( 41.653 25.651 7.569) 49.500 1.964 ( 12.115 -14.377 0.914) 18.823 2.496 ( -0.030 -8.018 1.276) 8.119 2.643 ( -5.725 -14.708 -1.485) 15.852 2.835 ( -3.717 -19.240 2.151) 19.714 3.043 ( 1.865 4.548 1.413) 5.115 3.207 ( 4.499 -11.911 2.369) 12.951 3.284 ( 0.274 -6.001 -1.266) 6.139 3.367 ( 0.779 5.135 -1.796) 5.495 3.640 ( -4.359 -2.231 -0.420) 4.915 3.802 ( -0.338 -7.129 -3.117) 7.788 3.918 ( 3.876 4.103 -0.886) 5.713 4.054 ( -1.628 8.474 -0.556) 8.647 4.180 ( -6.629 -1.946 -0.055) 6.910 4.348 ( 1.878 2.258 4.009) 4.970 4.476 ( 2.363 -3.015 2.794) 4.741 4.660 ( 10.420 6.952 5.505) 13.682 4.979 ( -4.022 0.891 -4.993) 6.473 5.049 ( 0.795 7.894 0.963) 7.992 5.081 ( -6.508 2.898 -3.391) 7.890 5.373 ( 3.225 0.881 2.870) 4.406 5.537 ( 0.077 -5.587 1.978) 5.927 5.678 ( 2.740 16.866 -1.450) 17.149 5.933 ( -14.977 7.885 -1.435) 16.987 6.186 ( -7.562 -2.072 -2.027) 8.098 6.218 ( 1.265 -2.982 3.387) 4.686 6.368 ( 1.075 4.091 0.459) 4.255 6.454 ( 7.264 2.398 0.632) 7.675 6.703 ( 3.974 -4.885 2.583) 6.807 7.085 ( -6.474 -5.617 -0.441) 8.583 7.280 ( -4.593 7.020 -0.913) 8.438 7.375 ( -9.544 -7.795 -1.905) 12.469 7.693 ( -6.147 -3.881 -1.718) 7.471 7.956 ( -2.111 -7.370 4.887) 9.092 8.063 ( -6.640 3.501 -6.520) 9.943 8.203 ( -1.446 -0.504 -0.744) 1.702 8.323 ( -7.588 -2.284 -2.473) 8.301 8.399 ( 3.855 -7.095 0.371) 8.083 8.588 ( 1.831 2.960 0.335) 3.496 8.858 ( 3.946 5.056 -4.144) 7.636 9.112 ( 3.531 1.960 -2.795) 4.912 9.472 ( -4.073 -3.068 -7.781) 9.303 9.621 ( 7.389 1.074 -2.461) 7.861 9.728 ( 13.777 -10.235 8.501) 19.153 9.996 ( 1.733 -3.140 -1.382) 3.843 10.163 ( -1.656 -1.332 -0.927) 2.319 10.480 ( 5.936 -2.447 1.689) 6.638 10.505 ( 2.553 11.309 -0.493) 11.604 10.722 ( 2.324 2.171 7.622) 8.259 10.786 ( 0.108 -4.550 -1.780) 4.887 11.024 ( 7.430 -1.383 2.274) 7.892 11.285 ( 5.612 3.549 1.296) 6.765 12.376 ( 3.674 -2.897 -1.444) 4.897 12.693 ( 1.510 -4.285 0.162) 4.546 12.985 ( 7.012 2.389 0.587) 7.431 13.155 ( -1.024 -1.117 -0.654) 1.650 13.826 ( -5.413 3.649 0.766) 6.573 13.968 ( -5.106 -1.331 -0.701) 5.323 14.418 ( -7.127 2.070 -2.346) 7.783 14.575 ( -4.582 -4.045 -2.274) 6.521 14.764 ( -5.324 4.991 -3.620) 8.146 15.031 ( -2.183 -3.311 -6.043) 7.228 15.528 ( 9.989 7.578 0.918) 12.572 15.712 ( 4.917 2.257 6.281) 8.290 15.764 ( 2.275 -0.804 3.168) 3.982 16.280 ( -0.490 -6.540 1.594) 6.749 16.776 ( -4.283 6.746 -1.865) 8.205 17.087 ( 3.501 -3.514 -2.224) 5.436 18.282 ( -0.357 1.376 0.626) 1.554 18.307 ( -1.029 0.088 -0.128) 1.040 18.809 ( -0.646 -3.632 -2.262) 4.327 18.848 ( 5.954 -4.582 0.134) 7.514 19.359 ( 7.070 -5.992 6.209) 11.155 19.634 ( -3.212 -4.524 1.003) 5.638 20.191 ( 0.474 5.505 -10.361) 11.742 20.393 ( 5.357 -4.584 22.008) 23.110 22.112 ( 0.925 -0.869 -0.765) 1.482 22.153 ( 0.188 -2.916 -0.708) 3.006 22.547 ( -1.987 8.748 1.169) 9.047 22.962 ( -15.456 12.217 -7.612) 21.121 23.184 ( -5.614 -1.165 -1.103) 5.839 23.228 ( -4.045 -5.597 -1.500) 7.067 25.475 ( -0.135 -0.004 0.182) 0.226 25.483 ( 0.248 -0.173 -0.143) 0.334 25.658 ( -3.991 10.583 -2.570) 11.599 25.746 ( 0.255 1.774 0.309) 1.819 25.910 ( -0.267 -2.687 0.660) 2.780 26.065 ( -1.039 -3.268 0.082) 3.431 26.490 ( 3.880 0.654 0.497) 3.966 26.650 ( 3.868 -4.944 1.138) 6.380 26.844 ( 2.060 6.898 0.762) 7.239 27.269 ( 3.349 -2.214 0.770) 4.088 27.498 ( -1.053 0.425 3.180) 3.376 27.793 ( 19.650 -22.696 -6.719) 30.764 ======================= Grid point 9 (7/96) ======================= q-point: ( 0.29 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 25.484 0.537 5.162) 26.007 1.340 ( 21.393 9.473 9.159) 25.125 2.166 ( 12.952 -16.030 3.947) 20.983 2.317 ( 28.033 14.250 6.583) 32.128 2.478 ( -2.866 -4.305 0.080) 5.173 2.581 ( 2.365 -9.795 -1.083) 10.134 2.809 ( 0.325 -15.888 6.200) 17.058 3.096 ( 1.574 6.441 2.251) 7.002 3.201 ( -4.303 -6.018 -6.404) 9.785 3.243 ( -0.668 -2.832 3.985) 4.934 3.454 ( 5.573 1.530 2.038) 6.128 3.532 ( -5.880 -2.913 0.050) 6.562 3.782 ( -1.136 -2.146 -5.030) 5.585 3.927 ( -9.533 7.958 0.559) 12.431 4.019 ( 0.493 4.638 -0.862) 4.744 4.113 ( 5.309 -6.342 -1.305) 8.373 4.327 ( -1.034 4.389 3.329) 5.605 4.565 ( 2.826 -0.476 2.141) 3.577 4.771 ( -6.674 2.132 -8.782) 11.234 4.962 ( 10.386 7.019 5.231) 13.583 5.046 ( 0.288 -0.852 -0.543) 1.050 5.195 ( 14.429 0.884 8.117) 16.579 5.366 ( -7.733 -10.282 1.409) 12.942 5.504 ( -9.197 7.660 -0.943) 12.007 5.599 ( -0.134 9.002 2.745) 9.413 5.826 ( 1.502 9.417 3.009) 9.999 5.989 ( -11.329 1.058 -3.706) 11.967 6.259 ( 1.072 -4.980 4.286) 6.657 6.408 ( 3.343 -2.596 -1.603) 4.525 6.567 ( 3.487 -0.385 1.805) 3.945 6.729 ( -3.325 0.850 -0.681) 3.499 6.926 ( -6.249 -7.808 -3.373) 10.554 7.060 ( -11.423 4.790 -4.789) 13.280 7.187 ( -10.360 -7.583 -4.366) 13.561 7.555 ( -14.799 1.230 -8.985) 17.356 7.747 ( -3.985 1.530 5.215) 6.740 7.972 ( -3.762 -2.665 0.188) 4.614 8.157 ( -6.149 -2.739 -5.979) 9.003 8.293 ( 6.000 1.318 7.950) 10.047 8.514 ( 7.156 -0.736 6.169) 9.476 8.706 ( 6.949 1.395 1.790) 7.310 8.859 ( -0.994 3.763 -9.191) 9.980 9.196 ( 4.518 -2.482 -4.148) 6.616 9.329 ( -7.076 -5.428 -8.378) 12.236 9.749 ( 5.783 3.090 -3.334) 7.356 9.915 ( 0.223 -5.194 4.576) 6.926 10.001 ( 2.208 -6.189 -3.832) 7.607 10.141 ( -0.016 -7.079 3.106) 7.731 10.535 ( 1.503 8.478 -2.293) 8.911 10.588 ( 3.608 2.748 3.667) 5.832 10.843 ( 6.980 -2.661 0.663) 7.500 10.873 ( 6.582 0.318 5.880) 8.831 11.164 ( 5.800 2.282 2.520) 6.722 11.408 ( 6.183 5.141 0.314) 8.047 12.444 ( 3.327 -2.748 -1.593) 4.600 12.751 ( 3.541 -6.884 0.178) 7.743 13.122 ( 3.713 2.457 0.804) 4.525 13.169 ( 5.979 1.555 -0.945) 6.250 13.725 ( -5.595 2.058 2.700) 6.545 13.829 ( -8.123 -0.160 -1.571) 8.276 14.267 ( -6.629 4.019 -1.189) 7.843 14.445 ( -7.026 -3.320 -3.767) 8.635 14.660 ( -3.522 5.685 -3.039) 7.345 14.931 ( -4.553 -1.666 -6.932) 8.459 15.721 ( 8.059 1.561 1.395) 8.327 15.821 ( 2.004 -1.227 3.435) 4.162 15.849 ( 6.126 3.026 6.078) 9.145 16.283 ( 0.019 -4.880 1.635) 5.146 16.722 ( -1.452 5.528 -0.501) 5.738 17.138 ( 2.378 -4.068 -0.699) 4.763 18.272 ( -0.853 0.599 -0.212) 1.063 18.283 ( -1.220 0.991 0.943) 1.833 18.763 ( -1.385 0.196 -5.068) 5.258 18.937 ( 3.553 -2.595 -1.915) 4.798 19.476 ( 2.446 -9.822 2.105) 10.338 19.564 ( -3.627 -5.828 2.014) 7.154 20.170 ( 0.080 10.033 -5.226) 11.313 20.585 ( 6.146 -5.519 16.846) 18.762 22.129 ( 0.972 -1.354 -0.931) 1.909 22.155 ( 0.296 -2.633 -1.331) 2.965 22.510 ( -1.626 8.347 1.406) 8.619 22.756 ( -4.177 5.554 -4.785) 8.437 23.046 ( -7.100 -3.031 -1.336) 7.835 23.115 ( -6.386 -4.608 -2.027) 8.132 25.475 ( -0.022 0.111 0.380) 0.397 25.488 ( 0.261 -0.191 0.093) 0.337 25.606 ( -1.254 10.068 -1.024) 10.197 25.749 ( -0.067 1.822 -0.026) 1.823 25.910 ( -0.098 -2.446 0.953) 2.627 26.046 ( -0.765 -3.082 0.114) 3.177 26.580 ( 4.558 0.843 0.968) 4.735 26.697 ( 1.282 -1.828 -0.090) 2.234 26.878 ( 1.309 8.093 0.412) 8.208 27.334 ( 3.301 -0.093 0.260) 3.312 27.482 ( -1.416 0.604 1.055) 1.866 28.041 ( 8.544 -22.755 -5.663) 24.957 ======================= Grid point 10 (8/96) ======================= q-point: ( 0.43 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 15.948 2.730 3.861) 16.634 1.650 ( 5.517 0.351 1.231) 5.664 2.267 ( 3.570 -18.089 4.292) 18.931 2.400 ( -5.492 -14.676 -3.221) 15.998 2.651 ( 1.440 18.524 -2.068) 18.695 2.734 ( 10.852 3.005 4.660) 12.186 2.886 ( 3.690 -5.854 6.394) 9.422 3.082 ( -4.528 -10.166 -8.798) 14.186 3.137 ( 2.309 3.004 4.361) 5.777 3.247 ( -1.610 -1.683 0.499) 2.382 3.473 ( 1.181 7.275 2.626) 7.824 3.573 ( 5.002 -1.901 3.699) 6.505 3.683 ( -6.786 0.347 -6.280) 9.252 3.751 ( -5.177 -1.708 -0.860) 5.518 4.022 ( -0.125 5.000 0.005) 5.001 4.251 ( 4.219 -11.599 0.832) 12.370 4.363 ( 4.389 7.263 0.928) 8.537 4.555 ( -3.282 0.962 -0.207) 3.427 4.771 ( 9.447 0.247 -0.679) 9.475 5.019 ( -2.283 4.565 -0.234) 5.110 5.076 ( -8.526 -1.947 -2.119) 8.998 5.201 ( 0.036 2.378 0.844) 2.523 5.341 ( -1.915 8.062 3.776) 9.106 5.535 ( 13.457 -1.370 4.765) 14.341 5.639 ( -4.258 7.401 -0.090) 8.539 5.752 ( -9.069 0.073 -2.271) 9.349 5.868 ( 2.073 10.642 1.771) 10.986 6.283 ( 0.944 -8.198 1.781) 8.442 6.481 ( 5.816 -10.470 1.357) 12.054 6.598 ( -0.093 6.005 1.276) 6.139 6.682 ( -0.590 -6.578 2.522) 7.069 6.796 ( -8.604 1.329 -3.455) 9.366 6.876 ( -7.646 -10.549 -7.094) 14.835 6.951 ( -4.933 -5.777 -5.203) 9.208 7.289 ( -5.887 9.520 -2.883) 11.558 7.782 ( 1.551 1.322 7.312) 7.591 7.885 ( -3.338 -2.313 -3.755) 5.531 8.069 ( -1.611 -2.147 -2.256) 3.506 8.440 ( 4.808 4.542 6.767) 9.463 8.686 ( 5.390 -0.978 5.046) 7.448 8.788 ( -0.817 4.925 -5.455) 7.395 8.808 ( 1.977 1.634 -0.116) 2.568 9.147 ( -5.743 -2.019 -6.383) 8.821 9.259 ( 1.618 -6.589 -1.920) 7.051 9.800 ( 0.958 -1.004 -4.304) 4.522 9.858 ( -2.930 -0.274 3.953) 4.928 10.052 ( 1.705 -6.655 -0.807) 6.917 10.167 ( 1.122 -11.737 0.931) 11.828 10.553 ( 0.659 9.893 -0.597) 9.933 10.647 ( 1.315 4.896 1.813) 5.384 10.960 ( 4.130 -4.752 -1.431) 6.457 10.989 ( 2.320 0.397 3.745) 4.423 11.254 ( 2.282 5.905 1.229) 6.449 11.508 ( 3.202 5.866 0.153) 6.685 12.483 ( 1.106 -2.875 -0.663) 3.151 12.787 ( 0.240 -10.736 -0.527) 10.751 13.218 ( 6.095 6.785 1.141) 9.192 13.288 ( 3.525 0.441 -1.029) 3.698 13.637 ( -3.896 1.589 3.356) 5.382 13.672 ( -5.675 1.694 -2.444) 6.407 14.179 ( -1.989 3.423 0.300) 3.970 14.313 ( -4.110 -1.384 -2.481) 4.996 14.613 ( -0.812 4.718 -0.760) 4.847 14.837 ( -2.355 -1.557 -3.151) 4.231 15.832 ( 3.131 -0.885 -0.021) 3.254 15.855 ( 0.244 -1.649 2.159) 2.728 15.963 ( 3.032 3.370 2.409) 5.134 16.287 ( -0.019 -3.852 0.504) 3.885 16.703 ( -0.446 4.823 0.010) 4.844 17.171 ( 0.917 -4.811 -0.027) 4.898 18.254 ( -0.497 0.977 -0.352) 1.151 18.270 ( -0.500 0.590 0.701) 1.044 18.732 ( -0.407 2.619 -2.274) 3.492 18.983 ( 1.612 -2.108 -1.221) 2.921 19.461 ( -1.947 -3.508 0.131) 4.015 19.551 ( 0.314 -11.337 1.126) 11.397 20.157 ( -0.055 12.672 -1.564) 12.768 20.721 ( 2.744 -4.968 6.196) 8.402 22.139 ( 0.251 -1.871 -0.283) 1.909 22.154 ( 0.063 -2.254 -0.883) 2.422 22.507 ( 0.461 9.251 0.820) 9.299 22.710 ( -0.407 -3.580 -1.915) 4.080 22.939 ( -2.656 -4.885 0.064) 5.561 22.993 ( -4.405 -1.895 -1.448) 5.010 25.476 ( 0.011 0.176 0.195) 0.263 25.492 ( 0.111 -0.214 0.088) 0.256 25.590 ( -0.310 9.460 -0.305) 9.470 25.746 ( -0.151 1.818 -0.026) 1.825 25.912 ( -0.048 -2.100 0.416) 2.141 26.037 ( -0.195 -2.966 0.051) 2.973 26.659 ( 2.933 0.494 1.088) 3.167 26.702 ( -0.669 -0.424 -0.786) 1.116 26.897 ( 0.522 8.779 0.148) 8.796 27.397 ( 2.973 -0.069 0.027) 2.974 27.449 ( -2.150 1.216 0.288) 2.486 28.125 ( 2.227 -18.664 -2.068) 18.910 ======================= Grid point 14 (9/96) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 0.000 23.561 0.000) 23.561 1.222 ( 0.000 -15.849 0.000) 15.849 1.298 ( 0.000 34.321 0.000) 34.321 1.834 ( 0.000 22.474 0.000) 22.474 2.009 ( 0.000 -23.463 0.000) 23.463 2.497 ( 0.000 -17.124 0.000) 17.124 2.651 ( 0.000 -4.883 0.000) 4.883 2.730 ( 0.000 -21.158 0.000) 21.158 3.166 ( 0.000 9.604 0.000) 9.604 3.245 ( 0.000 6.285 0.000) 6.285 3.427 ( 0.000 -4.778 0.000) 4.778 3.513 ( 0.000 -12.161 0.000) 12.161 3.644 ( 0.000 3.752 0.000) 3.752 3.873 ( 0.000 -13.914 0.000) 13.914 4.112 ( 0.000 8.770 0.000) 8.770 4.210 ( 0.000 -1.092 0.000) 1.092 4.340 ( 0.000 5.506 0.000) 5.506 4.510 ( 0.000 -9.585 0.000) 9.585 4.791 ( 0.000 22.326 0.000) 22.326 5.125 ( 0.000 2.510 0.000) 2.510 5.131 ( 0.000 -1.558 0.000) 1.558 5.177 ( 0.000 -10.717 0.000) 10.717 5.451 ( 0.000 12.638 0.000) 12.638 5.546 ( 0.000 5.798 0.000) 5.798 5.918 ( 0.000 7.967 0.000) 7.967 5.999 ( 0.000 -6.165 0.000) 6.165 6.275 ( 0.000 -0.933 0.000) 0.933 6.288 ( 0.000 -0.708 0.000) 0.708 6.350 ( 0.000 -0.244 0.000) 0.244 6.394 ( 0.000 -3.243 0.000) 3.243 6.711 ( 0.000 15.977 0.000) 15.977 7.045 ( 0.000 -10.888 0.000) 10.888 7.330 ( 0.000 -0.235 0.000) 0.235 7.410 ( 0.000 1.895 0.000) 1.895 7.725 ( 0.000 -5.200 0.000) 5.200 7.727 ( 0.000 -8.077 0.000) 8.077 8.086 ( 0.000 2.959 0.000) 2.959 8.176 ( 0.000 -6.123 0.000) 6.123 8.363 ( 0.000 7.127 0.000) 7.127 8.461 ( 0.000 -2.290 0.000) 2.290 8.711 ( 0.000 4.389 0.000) 4.389 8.794 ( 0.000 -2.757 0.000) 2.757 9.252 ( 0.000 5.965 0.000) 5.965 9.360 ( 0.000 -4.685 0.000) 4.685 9.536 ( 0.000 -0.339 0.000) 0.339 9.543 ( 0.000 -0.688 0.000) 0.688 9.935 ( 0.000 4.424 0.000) 4.424 10.100 ( 0.000 -10.107 0.000) 10.107 10.451 ( 0.000 8.516 0.000) 8.516 10.589 ( 0.000 -2.902 0.000) 2.902 10.749 ( 0.000 2.693 0.000) 2.693 10.805 ( 0.000 -3.271 0.000) 3.271 10.924 ( 0.000 10.972 0.000) 10.972 11.155 ( 0.000 -9.468 0.000) 9.468 12.370 ( 0.000 6.192 0.000) 6.192 12.534 ( 0.000 -9.059 0.000) 9.059 13.004 ( 0.000 5.091 0.000) 5.091 13.099 ( 0.000 -4.427 0.000) 4.427 13.929 ( 0.000 2.211 0.000) 2.211 13.979 ( 0.000 -2.580 0.000) 2.580 14.526 ( 0.000 1.535 0.000) 1.535 14.567 ( 0.000 -2.605 0.000) 2.605 14.904 ( 0.000 3.362 0.000) 3.362 14.971 ( 0.000 -3.341 0.000) 3.341 15.681 ( 0.000 1.862 0.000) 1.862 15.711 ( 0.000 0.360 0.000) 0.360 15.734 ( 0.000 15.503 0.000) 15.503 16.053 ( 0.000 -14.801 0.000) 14.801 16.927 ( 0.000 3.427 0.000) 3.427 16.991 ( 0.000 -2.721 0.000) 2.721 18.311 ( 0.000 0.662 0.000) 0.662 18.313 ( 0.000 0.099 0.000) 0.099 18.725 ( 0.000 1.459 0.000) 1.459 18.767 ( 0.000 -3.049 0.000) 3.049 19.394 ( 0.000 7.864 0.000) 7.864 19.546 ( 0.000 -7.293 0.000) 7.293 20.245 ( 0.000 0.729 0.000) 0.729 20.258 ( 0.000 -0.509 0.000) 0.509 22.094 ( 0.000 -0.128 0.000) 0.128 22.107 ( 0.000 -1.521 0.000) 1.521 22.780 ( 0.000 12.527 0.000) 12.527 23.035 ( 0.000 -12.859 0.000) 12.859 23.262 ( 0.000 0.988 0.000) 0.988 23.272 ( 0.000 0.041 0.000) 0.041 25.476 ( 0.000 -0.006 0.000) 0.006 25.477 ( 0.000 -0.125 0.000) 0.125 25.783 ( 0.000 2.648 0.000) 2.648 25.823 ( 0.000 0.444 0.000) 0.444 25.892 ( 0.000 1.907 0.000) 1.907 25.983 ( 0.000 -5.319 0.000) 5.319 26.461 ( 0.000 0.859 0.000) 0.859 26.486 ( 0.000 -1.900 0.000) 1.900 26.961 ( 0.000 7.501 0.000) 7.501 27.098 ( 0.000 -6.377 0.000) 6.377 27.521 ( 0.000 0.928 0.000) 0.928 27.531 ( 0.000 -0.178 0.000) 0.178 ======================= Grid point 15 (10/96) ======================= q-point: ( 0.14 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 9.325 23.850 5.322) 26.155 1.212 ( 7.969 6.688 7.060) 12.573 1.553 ( 15.062 -0.920 7.213) 16.725 2.012 ( 6.593 -27.919 7.049) 29.540 2.166 ( 21.043 24.202 2.781) 32.191 2.484 ( -2.096 -5.064 -1.939) 5.813 2.625 ( -0.398 -3.521 -1.972) 4.056 2.853 ( 11.279 -22.550 3.577) 25.466 3.208 ( 2.700 10.172 1.061) 10.578 3.283 ( 1.299 7.117 0.894) 7.289 3.452 ( -0.890 -11.272 -1.772) 11.445 3.509 ( 4.973 -1.546 -1.729) 5.487 3.600 ( -3.758 -1.123 0.981) 4.043 3.838 ( -3.120 -16.103 -1.001) 16.433 4.121 ( 0.909 8.806 0.178) 8.855 4.200 ( 0.017 1.415 -2.707) 3.054 4.378 ( 2.206 1.684 2.176) 3.527 4.479 ( -2.929 -4.718 0.705) 5.598 4.889 ( 7.995 16.532 7.410) 19.802 5.061 ( -5.576 3.627 -6.935) 9.609 5.152 ( -0.431 -1.174 0.725) 1.446 5.184 ( 3.331 -2.432 4.986) 6.471 5.369 ( -9.419 7.154 -0.855) 11.859 5.477 ( -4.173 0.364 3.632) 5.544 5.890 ( -2.286 2.523 -2.743) 4.372 5.968 ( -4.635 -4.517 -1.254) 6.592 6.145 ( -5.139 2.155 1.233) 5.708 6.225 ( -1.189 -1.214 1.898) 2.548 6.482 ( -1.520 6.260 0.204) 6.445 6.502 ( 5.070 4.595 0.734) 6.882 6.642 ( 2.577 1.313 -3.602) 4.619 6.899 ( -12.481 -15.590 -1.059) 19.998 7.333 ( -1.590 9.067 1.804) 9.380 7.469 ( -1.555 9.981 -0.868) 10.139 7.576 ( -6.046 -8.921 -3.925) 11.470 7.710 ( -3.748 -14.675 1.869) 15.261 8.180 ( 7.691 2.988 4.633) 9.463 8.216 ( -11.444 3.512 -2.872) 12.310 8.227 ( -1.888 -2.381 -2.451) 3.904 8.324 ( -4.422 -3.700 -8.424) 10.208 8.697 ( 2.484 7.590 1.167) 8.071 8.851 ( 4.071 -6.300 -0.003) 7.501 9.207 ( -2.564 7.944 -3.507) 9.054 9.370 ( -5.212 -7.618 -5.033) 10.513 9.624 ( 11.146 0.184 -1.629) 11.266 9.638 ( 9.570 -1.045 2.024) 9.838 9.997 ( 2.549 3.501 0.593) 4.371 10.105 ( -2.028 -5.775 0.406) 6.135 10.476 ( 4.293 3.017 -0.280) 5.255 10.557 ( -0.727 -3.839 -2.658) 4.725 10.788 ( 2.689 2.579 5.045) 6.272 10.800 ( 1.565 3.205 4.412) 5.674 11.060 ( 9.717 6.769 2.218) 12.048 11.241 ( 7.573 -7.990 0.900) 11.046 12.402 ( 2.966 5.843 -0.434) 6.567 12.558 ( 2.185 -8.551 -0.281) 8.831 13.045 ( 3.976 3.451 1.134) 5.386 13.112 ( 1.541 -3.108 0.614) 3.523 13.880 ( -4.766 2.424 -0.031) 5.347 13.929 ( -4.745 -2.463 -0.747) 5.398 14.463 ( -5.105 2.358 -2.139) 6.016 14.511 ( -4.726 -2.630 -1.945) 5.747 14.866 ( -2.858 5.016 -4.224) 7.153 14.956 ( -1.399 -4.165 -5.155) 6.773 15.688 ( 2.258 5.050 0.957) 5.614 15.741 ( 2.074 -1.534 2.941) 3.912 15.820 ( 5.417 10.800 5.989) 13.486 16.076 ( 1.615 -13.081 3.227) 13.570 16.901 ( -1.715 5.984 -1.283) 6.355 17.007 ( 1.247 -4.739 -0.643) 4.943 18.300 ( -0.949 0.564 0.286) 1.141 18.308 ( -0.691 -0.119 0.267) 0.751 18.768 ( 2.315 -0.202 -0.595) 2.399 18.788 ( 3.649 -1.992 -1.502) 4.420 19.390 ( -0.479 5.588 1.374) 5.775 19.519 ( -2.724 -6.790 0.646) 7.344 20.268 ( 3.084 3.138 -2.001) 4.833 20.326 ( 4.905 -2.907 6.284) 8.485 22.098 ( 0.469 -0.322 -0.636) 0.853 22.108 ( 0.161 -1.462 -0.330) 1.508 22.750 ( -2.929 11.640 0.267) 12.006 22.982 ( -5.158 -10.769 -0.545) 11.953 23.140 ( -9.727 3.572 -3.255) 10.861 23.195 ( -6.697 -1.544 -1.791) 7.102 25.476 ( 0.021 0.093 0.143) 0.172 25.479 ( 0.164 -0.188 0.002) 0.249 25.790 ( 0.537 2.835 -0.144) 2.889 25.830 ( -0.354 5.453 0.424) 5.481 25.855 ( -1.771 -1.019 -0.120) 2.047 25.971 ( -1.082 -6.070 0.008) 6.165 26.512 ( 4.431 1.707 0.914) 4.836 26.562 ( 5.271 -3.508 1.551) 6.519 26.999 ( 3.170 8.288 1.023) 8.932 27.159 ( 5.130 -7.809 1.515) 9.465 27.521 ( 0.224 1.912 0.075) 1.927 27.575 ( 4.821 -4.349 -2.967) 7.138 ======================= Grid point 16 (11/96) ======================= q-point: ( 0.29 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 18.312 18.357 6.001) 26.614 1.507 ( 16.413 -2.565 8.047) 18.459 1.842 ( 8.786 -2.499 5.232) 10.526 2.161 ( 3.525 -23.418 3.644) 23.960 2.425 ( 5.284 1.507 3.892) 6.733 2.543 ( 7.143 -7.881 2.297) 10.882 2.783 ( 17.400 17.387 2.315) 24.707 3.089 ( 8.425 -11.103 5.461) 14.970 3.211 ( -1.375 5.007 -2.547) 5.784 3.284 ( -1.399 12.311 -1.182) 12.447 3.374 ( -4.434 -7.903 -2.871) 9.506 3.530 ( -2.707 -0.580 3.114) 4.167 3.680 ( 7.771 -5.157 -2.300) 9.606 3.771 ( -2.167 -12.953 -3.725) 13.651 4.153 ( 2.318 8.021 -0.243) 8.353 4.195 ( -0.429 7.097 -0.755) 7.150 4.383 ( -1.082 -1.278 2.397) 2.924 4.454 ( -0.177 -7.373 0.658) 7.405 4.910 ( -6.252 8.726 -3.852) 11.404 5.099 ( 1.264 -2.389 3.316) 4.278 5.147 ( -0.270 0.859 1.349) 1.621 5.196 ( 2.238 12.876 4.598) 13.854 5.274 ( 4.507 1.877 6.086) 7.802 5.473 ( 0.508 -8.485 5.603) 10.181 5.773 ( -7.445 4.700 -0.701) 8.832 5.846 ( -5.985 -5.767 -3.657) 9.081 6.103 ( -2.190 9.114 2.948) 9.826 6.218 ( -1.813 -0.675 3.818) 4.280 6.364 ( -2.649 3.796 -1.882) 4.996 6.550 ( -2.886 -5.237 1.138) 6.087 6.701 ( -2.455 -5.630 -2.689) 6.705 6.741 ( 3.067 -5.960 -6.107) 9.068 7.140 ( -18.128 4.239 -7.409) 20.037 7.175 ( -16.544 3.322 -7.860) 18.615 7.586 ( -2.336 3.355 -0.191) 4.093 7.708 ( 4.420 -6.273 4.006) 8.657 7.947 ( -8.631 1.541 -3.568) 9.465 8.035 ( -9.792 -7.061 -5.152) 13.125 8.378 ( 9.171 5.048 6.911) 12.544 8.458 ( 10.041 -3.325 5.752) 12.040 8.789 ( 4.994 6.482 1.137) 8.262 8.913 ( 2.057 -2.751 -2.144) 4.050 9.139 ( -2.072 1.130 -6.428) 6.848 9.229 ( -5.491 -5.253 -7.301) 10.538 9.802 ( 7.120 2.536 -3.429) 8.300 9.847 ( 8.241 -1.825 1.350) 8.548 9.948 ( -5.632 0.220 -2.671) 6.237 10.013 ( -5.925 -5.597 0.873) 8.197 10.598 ( 6.018 1.001 0.933) 6.171 10.619 ( 6.417 -0.917 1.582) 6.672 10.847 ( 3.017 3.647 1.626) 5.005 10.899 ( 4.289 -0.435 5.091) 6.671 11.262 ( 9.213 7.654 3.093) 12.370 11.411 ( 8.375 -5.236 1.590) 10.005 12.456 ( 2.321 4.703 -1.132) 5.365 12.596 ( 1.439 -8.306 -1.037) 8.493 13.157 ( 6.394 1.408 1.866) 6.808 13.180 ( 5.319 -0.626 1.030) 5.454 13.766 ( -6.224 2.243 0.592) 6.642 13.809 ( -6.569 -1.866 -1.002) 6.902 14.346 ( -5.507 3.450 -1.884) 6.766 14.397 ( -5.604 -1.990 -2.388) 6.409 14.778 ( -3.778 5.901 -4.969) 8.590 14.876 ( -3.909 -3.927 -6.652) 8.658 15.761 ( 3.607 2.156 2.645) 4.965 15.796 ( 2.029 -1.420 3.220) 4.062 15.950 ( 5.323 7.429 5.198) 10.514 16.127 ( 2.019 -9.713 3.678) 10.581 16.869 ( -0.980 8.482 -1.307) 8.638 17.027 ( 0.921 -7.161 -0.745) 7.259 18.281 ( -0.917 0.469 0.040) 1.031 18.291 ( -1.178 -0.286 0.819) 1.463 18.796 ( 1.650 3.090 -2.392) 4.242 18.869 ( 3.766 -3.927 -1.082) 5.548 19.390 ( -0.069 0.702 1.319) 1.496 19.457 ( -3.469 -5.137 0.664) 6.234 20.334 ( 3.701 7.288 -0.799) 8.213 20.467 ( 6.383 -6.367 6.235) 10.962 22.106 ( 0.512 -0.776 -0.875) 1.277 22.110 ( 0.271 -1.371 -0.836) 1.628 22.684 ( -3.268 9.521 0.843) 10.102 22.862 ( -5.525 -3.763 -0.781) 6.730 22.936 ( -9.376 1.450 -2.797) 9.891 23.040 ( -7.373 -4.534 -2.432) 8.990 25.478 ( 0.099 0.217 0.276) 0.365 25.483 ( 0.214 -0.270 0.123) 0.366 25.792 ( -1.048 6.254 -1.483) 6.512 25.795 ( -1.005 3.769 1.293) 4.109 25.862 ( 0.741 -1.498 0.746) 1.830 25.954 ( -0.465 -6.138 0.052) 6.156 26.606 ( 4.281 1.873 1.008) 4.780 26.651 ( 3.181 -2.533 0.734) 4.132 27.066 ( 2.833 10.440 1.038) 10.867 27.260 ( 3.840 -7.980 1.548) 8.990 27.530 ( 0.785 4.538 -0.851) 4.684 27.679 ( 5.964 -12.179 -2.637) 13.815 ======================= Grid point 17 (12/96) ======================= q-point: ( 0.43 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 16.300 12.460 5.502) 21.242 1.790 ( 0.824 10.944 0.521) 10.987 1.898 ( 5.558 -16.885 3.727) 18.163 2.104 ( -7.191 -16.081 -4.728) 18.239 2.642 ( 9.599 -4.054 8.073) 13.181 2.714 ( 6.843 -8.896 2.880) 11.587 3.032 ( 5.113 14.329 -1.248) 15.265 3.125 ( -2.956 12.668 0.241) 13.010 3.186 ( -2.146 2.638 0.174) 3.405 3.250 ( -0.097 2.183 0.826) 2.336 3.352 ( 4.902 -13.787 -3.849) 15.130 3.463 ( -5.963 -12.384 2.159) 13.914 3.734 ( -0.661 3.092 -2.073) 3.781 3.750 ( 1.246 0.746 -2.813) 3.166 4.161 ( 0.265 6.351 0.578) 6.383 4.198 ( -1.135 5.698 -0.009) 5.810 4.416 ( 2.215 -2.146 2.367) 3.888 4.445 ( 0.175 -7.808 -1.503) 7.953 4.840 ( -0.315 4.793 0.322) 4.814 4.958 ( -5.752 -7.328 -0.393) 9.324 5.194 ( 1.861 13.689 -0.909) 13.845 5.370 ( 2.921 8.470 3.407) 9.586 5.457 ( -0.018 1.739 5.016) 5.309 5.478 ( 11.471 -6.450 5.895) 14.420 5.701 ( -3.153 -1.537 -2.486) 4.299 5.718 ( -3.847 -1.854 1.556) 4.545 6.064 ( -1.366 8.634 -0.311) 8.747 6.180 ( -2.132 -3.165 1.362) 4.052 6.361 ( 1.255 1.669 -1.376) 2.501 6.509 ( -1.332 -9.977 2.419) 10.352 6.680 ( 0.155 -0.299 1.439) 1.478 6.727 ( -1.941 -2.499 -5.942) 6.732 6.788 ( -10.945 -2.192 -6.005) 12.675 6.835 ( -11.157 -3.401 -6.496) 13.351 7.535 ( -1.384 16.126 -1.032) 16.218 7.802 ( 2.548 -1.491 3.013) 4.218 7.850 ( -1.898 -1.229 -1.109) 2.518 7.894 ( -3.261 -12.596 -1.439) 13.091 8.556 ( 5.368 5.961 6.257) 10.174 8.645 ( 5.000 -3.086 4.517) 7.411 8.867 ( 2.589 4.759 -0.528) 5.444 8.913 ( -0.230 3.806 -3.058) 4.888 9.079 ( -2.904 -2.777 -3.907) 5.604 9.135 ( -0.825 -5.523 -3.663) 6.678 9.788 ( -3.798 2.227 -2.082) 4.870 9.864 ( -2.081 -1.816 -0.612) 2.829 9.965 ( 3.061 -3.258 -1.422) 4.691 9.973 ( 0.969 -5.099 1.656) 5.448 10.697 ( 3.230 3.671 0.442) 4.910 10.715 ( 1.823 1.867 1.794) 3.166 10.909 ( 2.364 0.982 -0.071) 2.560 10.968 ( 1.280 -2.955 1.724) 3.653 11.406 ( 3.920 8.787 1.554) 9.746 11.543 ( 3.817 -3.362 0.882) 5.162 12.479 ( 0.545 3.465 -0.650) 3.567 12.602 ( -0.085 -8.172 -0.767) 8.209 13.281 ( 4.513 0.783 1.111) 4.713 13.291 ( 4.010 -0.259 0.246) 4.025 13.673 ( -2.789 1.791 1.021) 3.469 13.692 ( -4.217 0.037 -0.639) 4.265 14.257 ( -2.563 3.556 -0.727) 4.443 14.297 ( -3.082 -0.716 -1.410) 3.464 14.711 ( -1.445 4.803 -1.860) 5.350 14.790 ( -2.204 -3.235 -3.093) 4.989 15.822 ( 1.611 0.029 0.967) 1.880 15.832 ( 0.587 -0.863 1.487) 1.817 16.043 ( 2.327 5.104 2.127) 5.999 16.167 ( 0.871 -7.187 1.519) 7.397 16.853 ( -0.280 9.466 -0.530) 9.485 17.037 ( 0.331 -8.547 -0.340) 8.560 18.269 ( -0.222 0.415 -0.375) 0.602 18.274 ( -0.703 -0.115 0.814) 1.081 18.813 ( 0.658 5.253 -1.043) 5.396 18.915 ( 1.322 -4.666 -0.674) 4.896 19.393 ( -0.142 -2.218 0.436) 2.265 19.406 ( -1.421 -3.538 0.296) 3.824 20.389 ( 1.649 10.904 -0.193) 11.030 20.583 ( 2.993 -8.751 2.655) 9.622 22.109 ( 0.045 -0.966 -0.065) 0.969 22.111 ( 0.157 -1.396 -0.986) 1.717 22.663 ( 1.084 5.885 1.588) 6.191 22.762 ( -6.047 7.653 -2.466) 10.060 22.801 ( -1.613 -7.160 0.412) 7.351 22.918 ( -3.649 -6.121 -1.399) 7.262 25.481 ( 0.057 0.288 0.145) 0.327 25.487 ( 0.098 -0.311 0.079) 0.336 25.768 ( -0.595 6.890 -0.102) 6.917 25.788 ( -0.259 2.136 0.090) 2.154 25.874 ( 0.275 -0.594 0.291) 0.717 25.951 ( -0.024 -5.657 0.036) 5.657 26.673 ( 2.044 0.835 0.644) 2.300 26.689 ( 0.626 -0.786 -0.061) 1.006 27.106 ( 0.941 11.633 0.385) 11.677 27.312 ( 1.176 -8.080 0.575) 8.185 27.542 ( 0.535 7.371 -0.485) 7.406 27.759 ( 2.408 -15.685 -1.009) 15.900 ======================= Grid point 35 (13/96) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( 0.411 0.000 24.439) 24.442 0.555 ( 5.996 0.000 27.239) 27.891 0.990 ( 11.298 0.000 46.713) 48.060 2.152 ( -2.770 0.000 12.282) 12.590 2.575 ( 0.411 0.000 2.646) 2.678 2.854 ( 3.487 0.000 -1.311) 3.725 3.106 ( -10.063 0.000 -0.371) 10.070 3.226 ( -3.334 0.000 8.322) 8.964 3.335 ( 0.062 0.000 -2.705) 2.706 3.389 ( 5.439 0.000 1.344) 5.603 3.445 ( -6.694 0.000 -2.488) 7.141 3.655 ( -8.818 0.000 8.351) 12.144 3.674 ( 5.094 0.000 2.026) 5.482 3.910 ( -3.747 0.000 3.478) 5.112 3.955 ( 0.739 0.000 -1.087) 1.314 4.296 ( -4.517 0.000 2.772) 5.300 4.367 ( 8.205 0.000 2.746) 8.653 4.543 ( 8.972 0.000 10.193) 13.579 4.703 ( -1.295 0.000 8.169) 8.271 4.856 ( -0.824 0.000 1.633) 1.829 5.146 ( -8.905 0.000 1.618) 9.051 5.160 ( -3.268 0.000 -3.625) 4.881 5.327 ( 6.540 0.000 4.216) 7.781 5.363 ( -10.324 0.000 2.926) 10.731 5.662 ( 4.328 0.000 7.492) 8.652 6.002 ( -4.249 0.000 -4.475) 6.171 6.237 ( 3.703 0.000 -1.370) 3.948 6.258 ( -1.847 0.000 -0.152) 1.853 6.264 ( -0.815 0.000 0.085) 0.819 6.352 ( 4.357 0.000 2.449) 4.998 6.734 ( 6.241 0.000 2.552) 6.742 7.162 ( -1.261 0.000 -2.277) 2.602 7.226 ( 8.480 0.000 -2.963) 8.983 7.550 ( -1.422 0.000 -3.324) 3.616 7.775 ( -8.085 0.000 -10.214) 13.027 8.042 ( 7.477 0.000 -6.827) 10.125 8.063 ( 3.260 0.000 1.493) 3.586 8.171 ( -5.598 0.000 -2.968) 6.336 8.475 ( -2.757 0.000 2.673) 3.840 8.532 ( -4.329 0.000 7.463) 8.627 8.609 ( -2.509 0.000 -0.470) 2.553 8.740 ( -5.642 0.000 7.765) 9.598 8.963 ( 0.276 0.000 0.216) 0.350 9.370 ( 5.849 0.000 -8.681) 10.468 9.479 ( -7.562 0.000 -6.217) 9.790 9.679 ( 9.691 0.000 6.749) 11.810 10.093 ( -5.053 0.000 -2.149) 5.491 10.146 ( 1.704 0.000 -1.028) 1.991 10.257 ( 0.363 0.000 5.139) 5.152 10.450 ( 1.340 0.000 -2.023) 2.426 10.730 ( 6.154 0.000 5.804) 8.459 10.754 ( -0.548 0.000 -5.680) 5.706 11.081 ( 0.459 0.000 0.184) 0.495 11.410 ( 0.002 0.000 9.681) 9.681 12.541 ( -11.013 0.000 1.273) 11.087 12.679 ( 2.501 0.000 -3.262) 4.110 12.849 ( 0.017 0.000 -0.260) 0.260 13.216 ( -0.644 0.000 2.293) 2.382 13.691 ( 2.950 0.000 -6.954) 7.553 14.026 ( -0.069 0.000 -0.543) 0.548 14.484 ( -2.810 0.000 -1.768) 3.320 14.620 ( -0.922 0.000 -4.544) 4.637 14.794 ( -5.588 0.000 -2.780) 6.242 15.014 ( -4.226 0.000 -9.797) 10.670 15.242 ( 0.946 0.000 3.270) 3.404 15.684 ( 4.961 0.000 5.086) 7.105 15.797 ( 0.724 0.000 2.651) 2.748 16.317 ( 0.495 0.000 0.764) 0.910 16.666 ( 0.830 0.000 -1.251) 1.501 17.073 ( -5.858 0.000 0.229) 5.862 18.287 ( 0.192 0.000 2.378) 2.385 18.288 ( 0.671 0.000 -2.729) 2.810 18.857 ( -4.470 0.000 -3.413) 5.624 18.872 ( -1.448 0.000 -3.409) 3.704 19.071 ( 44.052 0.000 -0.816) 44.060 19.659 ( -0.455 0.000 -2.374) 2.417 19.803 ( 0.157 0.000 4.250) 4.253 20.867 ( 18.106 0.000 -7.728) 19.686 22.153 ( 1.825 0.000 3.684) 4.111 22.204 ( -0.673 0.000 1.036) 1.236 22.434 ( -0.092 0.000 0.243) 0.260 22.567 ( -13.237 0.000 -0.534) 13.247 23.213 ( -1.454 0.000 -1.250) 1.917 23.327 ( -0.498 0.000 -2.233) 2.288 25.492 ( -0.125 0.000 1.201) 1.208 25.496 ( 0.115 0.000 1.307) 1.312 25.736 ( -0.482 0.000 1.130) 1.229 25.930 ( -0.675 0.000 -1.213) 1.388 26.117 ( 0.186 0.000 0.742) 0.765 26.151 ( -46.387 0.000 1.050) 46.399 26.464 ( -0.047 0.000 2.075) 2.076 26.698 ( -0.088 0.000 1.289) 1.292 26.816 ( -0.927 0.000 3.770) 3.882 26.832 ( 54.122 0.000 -0.352) 54.123 27.239 ( 0.270 0.000 -1.401) 1.426 27.607 ( -5.800 0.000 -1.339) 5.953 ======================= Grid point 36 (14/96) ======================= q-point: ( 0.14 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 22.850 0.000 17.018) 28.491 0.905 ( 17.699 0.000 20.469) 27.060 1.673 ( 33.897 0.000 32.537) 46.986 2.264 ( 9.098 0.000 12.244) 15.254 2.573 ( -1.364 0.000 2.196) 2.586 2.905 ( -7.261 0.000 1.357) 7.387 2.941 ( 4.992 0.000 1.338) 5.168 3.163 ( -7.183 0.000 2.386) 7.569 3.304 ( -3.055 0.000 -0.186) 3.061 3.401 ( -0.914 0.000 -0.276) 0.954 3.502 ( 4.159 0.000 0.713) 4.220 3.576 ( -0.309 0.000 7.391) 7.398 3.753 ( 0.894 0.000 5.856) 5.924 3.894 ( 2.045 0.000 -0.718) 2.167 3.968 ( 0.218 0.000 -2.990) 2.998 4.076 ( -14.426 0.000 1.839) 14.543 4.457 ( 3.060 0.000 6.669) 7.338 4.689 ( -3.962 0.000 9.496) 10.289 4.843 ( 0.598 0.000 2.414) 2.487 4.896 ( 0.748 0.000 9.273) 9.303 5.011 ( 7.120 0.000 3.550) 7.956 5.212 ( 7.257 0.000 -0.094) 7.257 5.213 ( -0.625 0.000 6.042) 6.074 5.441 ( -1.024 0.000 -1.374) 1.714 5.720 ( -2.500 0.000 6.295) 6.773 5.849 ( -3.843 0.000 1.595) 4.161 6.100 ( -10.847 0.000 -6.728) 12.764 6.257 ( 2.999 0.000 -0.244) 3.009 6.402 ( 2.971 0.000 6.191) 6.867 6.465 ( 9.425 0.000 1.564) 9.554 6.817 ( -2.141 0.000 1.903) 2.865 7.091 ( -5.324 0.000 -4.486) 6.962 7.173 ( -10.184 0.000 -3.967) 10.929 7.426 ( -8.350 0.000 -2.332) 8.669 7.589 ( -7.897 0.000 -10.036) 12.770 7.917 ( -11.761 0.000 -5.836) 13.129 8.094 ( -4.042 0.000 -0.477) 4.070 8.130 ( 0.019 0.000 -5.845) 5.845 8.455 ( 1.902 0.000 5.680) 5.990 8.469 ( -3.011 0.000 6.932) 7.558 8.621 ( 6.085 0.000 1.030) 6.172 8.741 ( -0.339 0.000 3.684) 3.700 9.029 ( 4.623 0.000 -4.253) 6.281 9.322 ( -4.714 0.000 -11.492) 12.421 9.488 ( 8.132 0.000 -7.517) 11.074 10.002 ( 14.250 0.000 -3.194) 14.604 10.025 ( 0.733 0.000 1.533) 1.699 10.158 ( -0.116 0.000 -1.710) 1.714 10.340 ( 2.981 0.000 7.383) 7.962 10.513 ( 4.609 0.000 -1.512) 4.850 10.753 ( 3.320 0.000 -5.038) 6.033 10.875 ( 6.662 0.000 10.596) 12.516 11.109 ( 2.163 0.000 -0.896) 2.341 11.389 ( -3.048 0.000 10.199) 10.645 12.449 ( -0.170 0.000 4.153) 4.157 12.711 ( 3.443 0.000 -2.136) 4.052 12.949 ( 8.369 0.000 -0.892) 8.416 13.174 ( -4.130 0.000 2.233) 4.695 13.700 ( 0.390 0.000 -6.289) 6.301 13.969 ( -5.533 0.000 -0.751) 5.583 14.356 ( -7.756 0.000 -1.779) 7.957 14.574 ( -1.579 0.000 -4.813) 5.066 14.603 ( -10.189 0.000 -5.058) 11.375 14.892 ( -3.954 0.000 -9.652) 10.430 15.469 ( 14.345 0.000 2.202) 14.513 15.809 ( 5.285 0.000 5.196) 7.412 15.850 ( 2.641 0.000 4.306) 5.051 16.323 ( -0.119 0.000 0.615) 0.626 16.675 ( 0.412 0.000 -1.212) 1.280 17.093 ( 3.721 0.000 0.174) 3.725 18.275 ( -0.981 0.000 -2.274) 2.477 18.298 ( -0.101 0.000 2.681) 2.683 18.737 ( -4.761 0.000 -5.412) 7.208 18.859 ( 1.639 0.000 -3.757) 4.099 19.610 ( 15.961 0.000 -17.005) 23.322 19.619 ( -2.542 0.000 -2.942) 3.888 19.811 ( -0.874 0.000 4.371) 4.457 20.977 ( -0.186 0.000 -5.274) 5.278 22.146 ( -2.416 0.000 4.740) 5.320 22.193 ( -0.671 0.000 0.739) 0.998 22.425 ( -0.775 0.000 0.375) 0.861 22.510 ( 4.423 0.000 -0.702) 4.478 23.136 ( -5.360 0.000 -2.148) 5.774 23.260 ( -4.951 0.000 -2.673) 5.626 25.491 ( -0.303 0.000 1.378) 1.411 25.498 ( -0.406 0.000 1.459) 1.514 25.668 ( -10.184 0.000 11.821) 15.603 25.735 ( -0.128 0.000 0.800) 0.810 25.959 ( 0.074 0.000 0.948) 0.951 26.108 ( -1.227 0.000 1.011) 1.590 26.513 ( 3.904 0.000 2.423) 4.595 26.710 ( 0.669 0.000 1.316) 1.477 26.814 ( -0.644 0.000 3.432) 3.492 27.260 ( 2.271 0.000 -1.460) 2.700 27.523 ( -0.104 0.000 -0.450) 0.462 27.672 ( 28.837 0.000 -24.953) 38.134 ======================= Grid point 37 (15/96) ======================= q-point: ( 0.29 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 15.960 0.000 15.876) 22.512 1.375 ( 24.233 0.000 11.615) 26.873 2.251 ( 12.995 0.000 7.307) 14.908 2.546 ( -2.069 0.000 1.990) 2.871 2.574 ( 15.727 0.000 16.562) 22.839 2.818 ( -1.427 0.000 -2.001) 2.458 2.980 ( -5.464 0.000 -0.074) 5.465 3.106 ( 0.637 0.000 8.366) 8.390 3.238 ( -1.120 0.000 2.218) 2.484 3.323 ( -5.871 0.000 3.451) 6.810 3.516 ( -2.830 0.000 -0.540) 2.881 3.616 ( 0.631 0.000 2.100) 2.192 3.717 ( -5.915 0.000 -1.521) 6.108 3.822 ( -5.762 0.000 2.783) 6.399 4.005 ( -0.047 0.000 0.597) 0.598 4.027 ( 11.517 0.000 -0.372) 11.523 4.530 ( 0.442 0.000 9.278) 9.289 4.647 ( 0.662 0.000 4.571) 4.619 4.751 ( -8.082 0.000 10.254) 13.057 4.928 ( 5.378 0.000 5.403) 7.624 5.117 ( 0.037 0.000 2.000) 2.000 5.259 ( -9.175 0.000 -5.272) 10.581 5.385 ( 8.306 0.000 1.206) 8.393 5.498 ( 5.132 0.000 7.531) 9.113 5.627 ( 0.044 0.000 8.713) 8.714 5.791 ( -12.943 0.000 -4.398) 13.670 5.884 ( -3.046 0.000 2.416) 3.888 6.370 ( 7.810 0.000 1.242) 7.909 6.439 ( 0.948 0.000 0.718) 1.189 6.652 ( -9.781 0.000 0.025) 9.781 6.696 ( 10.753 0.000 5.969) 12.298 6.934 ( -6.812 0.000 -5.978) 9.063 6.987 ( -8.147 0.000 -0.718) 8.178 7.235 ( -19.942 0.000 -11.819) 23.181 7.256 ( -7.698 0.000 -1.070) 7.772 7.832 ( 0.225 0.000 0.634) 0.672 7.938 ( -8.505 0.000 -8.893) 12.306 8.057 ( -2.792 0.000 -2.724) 3.901 8.495 ( 0.950 0.000 10.349) 10.393 8.617 ( 10.025 0.000 7.278) 12.389 8.724 ( -1.015 0.000 2.973) 3.142 8.754 ( 3.985 0.000 -0.355) 4.001 9.046 ( -0.402 0.000 -11.132) 11.139 9.256 ( 2.595 0.000 -5.918) 6.462 9.605 ( 5.855 0.000 -5.583) 8.090 9.996 ( -1.567 0.000 -0.060) 1.568 10.138 ( -0.423 0.000 -3.143) 3.171 10.260 ( 9.555 0.000 0.628) 9.575 10.396 ( 0.494 0.000 6.343) 6.362 10.568 ( 1.049 0.000 -0.655) 1.237 10.855 ( 7.900 0.000 -5.463) 9.605 11.041 ( 4.531 0.000 11.417) 12.283 11.147 ( 2.160 0.000 -2.170) 3.062 11.406 ( 1.555 0.000 7.317) 7.481 12.496 ( 2.601 0.000 2.939) 3.925 12.827 ( 9.168 0.000 -2.961) 9.634 13.089 ( -4.910 0.000 2.841) 5.672 13.117 ( 8.666 0.000 -2.099) 8.916 13.655 ( -2.846 0.000 -7.209) 7.750 13.815 ( -9.204 0.000 -0.262) 9.208 14.220 ( -5.247 0.000 -0.309) 5.256 14.403 ( -7.707 0.000 -3.549) 8.485 14.538 ( -0.395 0.000 -3.621) 3.642 14.811 ( -1.139 0.000 -5.724) 5.836 15.714 ( 9.351 0.000 0.618) 9.371 15.904 ( 2.553 0.000 1.834) 3.144 15.907 ( 1.565 0.000 3.214) 3.575 16.319 ( -0.305 0.000 0.073) 0.313 16.668 ( -0.599 0.000 -1.575) 1.685 17.161 ( 2.950 0.000 -1.340) 3.240 18.241 ( -1.372 0.000 -2.100) 2.509 18.300 ( -0.739 0.000 2.597) 2.700 18.666 ( -0.392 0.000 -2.868) 2.894 18.910 ( 4.404 0.000 -1.800) 4.757 19.543 ( -3.880 0.000 -3.076) 4.952 19.736 ( 5.298 0.000 -15.218) 16.114 19.807 ( -1.050 0.000 4.029) 4.163 20.933 ( -3.141 0.000 -0.655) 3.208 22.141 ( 0.404 0.000 2.014) 2.054 22.185 ( -0.380 0.000 0.695) 0.792 22.413 ( -0.598 0.000 0.751) 0.960 22.614 ( 6.498 0.000 -2.648) 7.017 23.016 ( -5.423 0.000 -1.734) 5.694 23.133 ( -6.657 0.000 -2.293) 7.041 25.491 ( -0.276 0.000 1.493) 1.518 25.493 ( -0.584 0.000 1.412) 1.528 25.597 ( -2.907 0.000 8.591) 9.070 25.734 ( -0.228 0.000 0.535) 0.582 25.958 ( -0.568 0.000 0.901) 1.065 26.087 ( -1.076 0.000 0.989) 1.461 26.612 ( 4.697 0.000 2.801) 5.469 26.724 ( -0.011 0.000 1.448) 1.448 26.816 ( -0.304 0.000 2.770) 2.787 27.310 ( 3.158 0.000 -1.577) 3.530 27.489 ( -1.996 0.000 -0.470) 2.051 28.001 ( 14.618 0.000 -18.980) 23.957 ======================= Grid point 38 (16/96) ======================= q-point: ( 0.43 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 2.277 0.000 11.380) 11.605 1.798 ( 11.713 0.000 7.678) 14.005 2.355 ( 1.955 0.000 0.794) 2.110 2.501 ( -3.031 0.000 0.263) 3.043 2.766 ( -3.180 0.000 -7.695) 8.326 2.775 ( -8.816 0.000 2.036) 9.048 2.841 ( 4.890 0.000 9.928) 11.066 3.136 ( -8.070 0.000 11.564) 14.102 3.266 ( 0.768 0.000 -0.135) 0.780 3.308 ( 7.073 0.000 5.896) 9.208 3.406 ( -7.998 0.000 -6.691) 10.428 3.626 ( -0.116 0.000 1.184) 1.190 3.630 ( 0.407 0.000 2.353) 2.388 3.763 ( -2.821 0.000 -0.485) 2.862 4.003 ( -0.157 0.000 1.198) 1.208 4.269 ( 11.599 0.000 -1.105) 11.652 4.522 ( -5.225 0.000 12.461) 13.512 4.641 ( -8.138 0.000 11.229) 13.867 4.877 ( 19.507 0.000 7.926) 21.056 4.951 ( -2.575 0.000 0.963) 2.749 5.086 ( -6.415 0.000 -0.212) 6.418 5.227 ( 2.069 0.000 -1.484) 2.546 5.251 ( -13.444 0.000 4.124) 14.062 5.463 ( -2.674 0.000 -0.945) 2.836 5.616 ( 4.487 0.000 -0.344) 4.500 5.775 ( -2.011 0.000 2.738) 3.397 5.791 ( -8.036 0.000 2.464) 8.405 6.428 ( -2.537 0.000 -3.341) 4.195 6.529 ( 4.250 0.000 6.543) 7.802 6.622 ( 3.392 0.000 3.059) 4.567 6.733 ( -3.143 0.000 -7.698) 8.315 6.742 ( -10.784 0.000 -9.571) 14.419 7.000 ( 9.514 0.000 9.033) 13.119 7.025 ( 3.862 0.000 8.788) 9.600 7.133 ( -4.372 0.000 -0.414) 4.392 7.688 ( -9.450 0.000 -13.213) 16.244 7.880 ( 1.584 0.000 -2.672) 3.106 8.046 ( 1.797 0.000 2.118) 2.777 8.480 ( -5.142 0.000 4.364) 6.745 8.690 ( -7.510 0.000 -10.225) 12.687 8.786 ( 2.636 0.000 0.485) 2.681 8.815 ( 7.215 0.000 11.751) 13.789 9.076 ( 9.009 0.000 -0.793) 9.044 9.334 ( 4.028 0.000 1.315) 4.237 9.684 ( 4.642 0.000 -4.788) 6.669 9.943 ( -4.053 0.000 0.932) 4.159 10.139 ( 1.823 0.000 -2.357) 2.980 10.380 ( 1.153 0.000 2.769) 3.000 10.415 ( 0.536 0.000 2.702) 2.754 10.553 ( -1.928 0.000 -2.086) 2.841 10.964 ( 4.587 0.000 -6.274) 7.772 11.081 ( -4.176 0.000 6.848) 8.021 11.173 ( 1.307 0.000 -2.493) 2.815 11.474 ( 1.718 0.000 5.238) 5.512 12.552 ( 1.790 0.000 3.464) 3.899 13.001 ( 7.706 0.000 -6.082) 9.817 13.034 ( -1.488 0.000 4.907) 5.128 13.250 ( 5.230 0.000 -1.611) 5.472 13.529 ( -5.563 0.000 -8.684) 10.313 13.669 ( -4.682 0.000 0.273) 4.690 14.138 ( -2.963 0.000 -1.912) 3.526 14.325 ( 0.716 0.000 2.327) 2.434 14.533 ( 0.822 0.000 -2.009) 2.171 14.818 ( 3.045 0.000 -0.424) 3.074 15.824 ( 2.324 0.000 -1.323) 2.674 15.909 ( -1.861 0.000 -3.041) 3.565 15.927 ( -0.887 0.000 1.645) 1.868 16.314 ( -0.173 0.000 -0.828) 0.846 16.646 ( -0.814 0.000 -1.744) 1.925 17.191 ( 1.087 0.000 -2.828) 3.030 18.215 ( -0.343 0.000 -2.244) 2.270 18.289 ( -1.154 0.000 2.376) 2.641 18.705 ( 4.037 0.000 2.591) 4.797 19.001 ( 4.312 0.000 1.398) 4.533 19.466 ( -2.144 0.000 -3.080) 3.753 19.751 ( 2.530 0.000 -16.353) 16.547 19.799 ( -1.133 0.000 3.417) 3.600 20.826 ( -7.445 0.000 -3.671) 8.301 22.161 ( 0.843 0.000 0.805) 1.166 22.185 ( 0.111 0.000 0.953) 0.959 22.407 ( -0.417 0.000 0.903) 0.994 22.741 ( 6.918 0.000 -2.709) 7.430 22.943 ( -1.115 0.000 -0.188) 1.131 23.009 ( -4.408 0.000 -0.805) 4.481 25.487 ( -0.530 0.000 1.240) 1.348 25.490 ( -0.455 0.000 1.500) 1.567 25.588 ( -1.152 0.000 7.677) 7.763 25.731 ( -0.122 0.000 0.515) 0.529 25.945 ( -0.959 0.000 0.471) 1.069 26.075 ( -0.533 0.000 0.802) 0.963 26.691 ( 0.963 0.000 1.353) 1.661 26.721 ( 0.112 0.000 3.135) 3.137 26.820 ( -0.208 0.000 2.215) 2.225 27.363 ( 2.632 0.000 -1.715) 3.142 27.445 ( -2.164 0.000 -1.302) 2.525 28.162 ( 8.634 0.000 -13.235) 15.802 ======================= Grid point 39 (17/96) ======================= q-point: (-0.43 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -16.348 0.000 6.719) 17.675 1.721 ( -19.533 0.000 3.378) 19.823 2.434 ( 2.758 0.000 5.001) 5.711 2.483 ( 0.873 0.000 0.460) 0.986 2.559 ( -15.783 0.000 -6.979) 17.257 2.817 ( 9.736 0.000 3.680) 10.408 2.911 ( -3.028 0.000 -1.121) 3.229 2.957 ( -5.703 0.000 7.840) 9.694 3.148 ( -9.961 0.000 -9.169) 13.538 3.315 ( 3.737 0.000 -4.899) 6.161 3.483 ( 4.001 0.000 14.904) 15.432 3.649 ( -4.678 0.000 -1.028) 4.789 3.667 ( 2.489 0.000 3.232) 4.079 3.732 ( 4.915 0.000 -0.385) 4.930 4.015 ( 0.756 0.000 1.634) 1.800 4.356 ( -5.806 0.000 3.633) 6.849 4.449 ( -6.068 0.000 4.866) 7.778 4.537 ( -1.897 0.000 6.902) 7.158 4.926 ( -3.789 0.000 0.215) 3.795 4.946 ( -3.172 0.000 13.391) 13.762 5.152 ( -2.162 0.000 4.219) 4.740 5.176 ( 4.370 0.000 -2.942) 5.268 5.305 ( 17.024 0.000 5.498) 17.890 5.502 ( -2.491 0.000 0.341) 2.514 5.551 ( -17.750 0.000 -5.289) 18.521 5.654 ( -3.053 0.000 -0.027) 3.053 5.794 ( 11.785 0.000 4.154) 12.496 6.312 ( -6.122 0.000 -7.975) 10.054 6.519 ( -5.705 0.000 0.806) 5.762 6.607 ( 4.351 0.000 3.105) 5.345 6.690 ( -0.178 0.000 -2.420) 2.426 6.812 ( 10.112 0.000 3.626) 10.742 7.035 ( -3.359 0.000 -0.328) 3.375 7.217 ( 7.306 0.000 5.146) 8.936 7.380 ( 22.414 0.000 16.295) 27.711 7.482 ( -5.059 0.000 -16.745) 17.492 7.886 ( 0.463 0.000 -5.333) 5.353 8.137 ( 5.766 0.000 6.234) 8.492 8.391 ( -4.392 0.000 3.362) 5.531 8.472 ( -9.487 0.000 -12.270) 15.509 8.749 ( -3.383 0.000 -5.276) 6.267 9.013 ( 6.396 0.000 15.699) 16.952 9.319 ( 11.167 0.000 7.603) 13.510 9.369 ( -0.911 0.000 1.816) 2.031 9.765 ( 4.288 0.000 -4.256) 6.042 9.858 ( -3.258 0.000 0.427) 3.286 10.180 ( 1.752 0.000 -0.555) 1.838 10.316 ( -7.147 0.000 -0.412) 7.159 10.438 ( -0.072 0.000 2.084) 2.086 10.496 ( -1.786 0.000 -4.589) 4.924 10.938 ( -11.245 0.000 0.220) 11.247 10.977 ( -0.957 0.000 -6.131) 6.205 11.177 ( -0.263 0.000 -1.775) 1.794 11.476 ( -3.679 0.000 6.580) 7.539 12.586 ( 0.101 0.000 5.017) 5.018 12.956 ( -8.872 0.000 -7.008) 11.306 13.071 ( 2.716 0.000 5.739) 6.349 13.293 ( -2.691 0.000 -0.555) 2.747 13.471 ( 3.975 0.000 -10.417) 11.150 13.676 ( 6.078 0.000 -0.294) 6.085 14.121 ( 2.709 0.000 -0.709) 2.800 14.427 ( 7.270 0.000 5.331) 9.015 14.556 ( 1.907 0.000 -0.323) 1.934 14.914 ( 5.838 0.000 2.621) 6.399 15.819 ( -5.161 0.000 -6.259) 8.113 15.821 ( -1.366 0.000 -2.587) 2.926 15.864 ( -6.011 0.000 -0.453) 6.028 16.303 ( -0.215 0.000 -2.391) 2.401 16.634 ( 0.212 0.000 -1.186) 1.205 17.193 ( 0.391 0.000 -2.243) 2.277 18.214 ( 1.117 0.000 -2.535) 2.770 18.278 ( -0.772 0.000 2.118) 2.254 18.815 ( 4.685 0.000 6.848) 8.297 19.050 ( -0.659 0.000 2.705) 2.784 19.467 ( 3.619 0.000 -2.446) 4.368 19.710 ( -0.222 0.000 -24.128) 24.129 19.787 ( -1.239 0.000 2.990) 3.236 20.625 ( -10.549 0.000 -4.842) 11.607 22.170 ( -0.322 0.000 0.301) 0.441 22.196 ( 0.439 0.000 1.483) 1.546 22.402 ( -0.274 0.000 0.604) 0.664 22.793 ( -0.989 0.000 -1.862) 2.109 22.979 ( 4.245 0.000 1.313) 4.443 23.030 ( 6.840 0.000 -0.205) 6.843 25.482 ( -0.395 0.000 1.078) 1.148 25.485 ( -0.474 0.000 1.390) 1.469 25.606 ( 0.073 0.000 8.900) 8.900 25.735 ( 0.249 0.000 0.713) 0.756 25.928 ( -0.691 0.000 -0.198) 0.719 26.071 ( -0.074 0.000 0.570) 0.574 26.655 ( -3.506 0.000 1.069) 3.665 26.747 ( -0.093 0.000 2.374) 2.376 26.824 ( -0.354 0.000 3.059) 3.079 27.372 ( -2.128 0.000 -0.724) 2.248 27.416 ( 0.924 0.000 -3.597) 3.714 28.252 ( 5.094 0.000 -11.836) 12.886 ======================= Grid point 40 (18/96) ======================= q-point: (-0.29 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -23.596 0.000 6.998) 24.612 1.247 ( -27.944 0.000 4.958) 28.381 1.944 ( -38.862 0.000 -1.602) 38.895 2.484 ( -9.080 0.000 7.267) 11.630 2.509 ( 1.461 0.000 1.285) 1.946 2.826 ( 4.997 0.000 5.274) 7.265 2.872 ( -4.109 0.000 -7.468) 8.523 3.068 ( 8.102 0.000 3.326) 8.758 3.131 ( 9.461 0.000 -1.109) 9.526 3.413 ( 6.839 0.000 -5.487) 8.768 3.509 ( -6.058 0.000 -5.314) 8.058 3.552 ( -1.818 0.000 15.988) 16.091 3.733 ( 2.144 0.000 5.045) 5.482 3.876 ( 7.638 0.000 1.847) 7.858 4.045 ( 2.505 0.000 2.905) 3.836 4.200 ( -10.862 0.000 9.612) 14.504 4.338 ( -6.115 0.000 1.048) 6.204 4.544 ( 0.120 0.000 -0.623) 0.635 4.835 ( -2.614 0.000 0.128) 2.617 4.956 ( -9.396 0.000 2.247) 9.660 5.121 ( -1.651 0.000 8.757) 8.912 5.281 ( -0.834 0.000 8.494) 8.535 5.365 ( -7.603 0.000 -0.133) 7.604 5.424 ( 15.688 0.000 2.786) 15.933 5.556 ( 7.094 0.000 4.840) 8.588 5.594 ( -3.819 0.000 -4.071) 5.582 6.062 ( 12.252 0.000 3.891) 12.854 6.190 ( -2.188 0.000 -7.436) 7.752 6.389 ( -7.182 0.000 0.428) 7.195 6.620 ( -8.133 0.000 -0.670) 8.161 6.701 ( 1.834 0.000 -3.194) 3.683 7.042 ( 5.638 0.000 -1.431) 5.817 7.084 ( 11.401 0.000 6.828) 13.289 7.338 ( 4.526 0.000 0.716) 4.582 7.448 ( 10.990 0.000 -12.470) 16.622 7.782 ( 6.562 0.000 -7.831) 10.217 7.974 ( 15.627 0.000 17.994) 23.833 8.249 ( -8.895 0.000 -11.369) 14.436 8.303 ( 8.172 0.000 7.447) 11.056 8.346 ( -1.233 0.000 0.843) 1.494 8.661 ( -3.370 0.000 -3.608) 4.937 9.129 ( -1.139 0.000 15.324) 15.367 9.270 ( -8.173 0.000 1.617) 8.332 9.548 ( 7.173 0.000 6.648) 9.780 9.687 ( -7.119 0.000 -5.135) 8.777 9.930 ( 2.314 0.000 0.864) 2.470 10.140 ( -5.269 0.000 -5.816) 7.848 10.163 ( -2.410 0.000 -3.036) 3.876 10.423 ( -2.155 0.000 2.178) 3.063 10.482 ( 1.331 0.000 -3.585) 3.824 10.685 ( -12.105 0.000 -4.588) 12.945 10.895 ( -4.652 0.000 -4.852) 6.722 11.148 ( -2.131 0.000 -0.876) 2.304 11.400 ( -6.598 0.000 10.541) 12.435 12.598 ( -0.634 0.000 6.978) 7.006 12.745 ( -7.939 0.000 -5.943) 9.917 13.145 ( -9.812 0.000 -1.466) 9.921 13.148 ( 2.805 0.000 3.786) 4.712 13.556 ( 6.727 0.000 -10.068) 12.108 13.839 ( 8.897 0.000 -0.390) 8.905 14.248 ( 9.303 0.000 2.166) 9.552 14.598 ( 2.339 0.000 -0.347) 2.365 14.611 ( 8.835 0.000 4.955) 10.129 15.037 ( 5.155 0.000 1.809) 5.463 15.688 ( -5.151 0.000 -6.058) 7.952 15.692 ( -10.345 0.000 -1.557) 10.461 15.780 ( -1.642 0.000 -2.633) 3.102 16.295 ( 0.355 0.000 -2.160) 2.189 16.641 ( 0.809 0.000 -1.011) 1.295 17.205 ( 1.544 0.000 0.792) 1.735 18.238 ( 2.142 0.000 -2.848) 3.564 18.277 ( -0.154 0.000 2.410) 2.415 18.910 ( 2.094 0.000 6.504) 6.833 19.006 ( -3.779 0.000 0.926) 3.891 19.484 ( -13.372 0.000 -43.550) 45.557 19.563 ( 5.794 0.000 -1.335) 5.946 19.775 ( -0.948 0.000 3.110) 3.251 20.455 ( -4.523 0.000 3.942) 6.000 22.151 ( -1.462 0.000 -0.036) 1.463 22.208 ( 0.081 0.000 1.804) 1.806 22.407 ( 0.671 0.000 0.334) 0.750 22.766 ( -0.406 0.000 -1.175) 1.243 23.092 ( 6.040 0.000 1.480) 6.218 23.183 ( 7.613 0.000 -1.124) 7.696 25.481 ( -0.074 0.000 1.020) 1.023 25.483 ( -0.177 0.000 1.244) 1.257 25.670 ( 3.092 0.000 13.557) 13.905 25.743 ( 0.107 0.000 1.013) 1.019 25.920 ( 0.053 0.000 -0.583) 0.585 26.078 ( 0.615 0.000 0.393) 0.730 26.578 ( -4.604 0.000 1.394) 4.810 26.733 ( -1.612 0.000 1.317) 2.082 26.826 ( -0.776 0.000 3.899) 3.975 27.313 ( -2.998 0.000 -1.232) 3.241 27.410 ( -0.600 0.000 -6.321) 6.350 28.249 ( -1.172 0.000 -19.244) 19.280 ======================= Grid point 41 (19/96) ======================= q-point: (-0.14 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( -20.587 0.000 14.410) 25.129 0.731 ( -26.210 0.000 12.319) 28.961 1.174 ( -37.198 0.000 20.002) 42.235 2.270 ( -12.464 0.000 10.893) 16.553 2.545 ( 1.501 0.000 1.991) 2.493 2.817 ( 1.056 0.000 -4.797) 4.912 3.032 ( 9.616 0.000 2.779) 10.009 3.254 ( 7.565 0.000 7.143) 10.405 3.278 ( 5.635 0.000 -1.717) 5.891 3.378 ( -2.827 0.000 -4.408) 5.236 3.548 ( -3.938 0.000 9.866) 10.623 3.554 ( 6.949 0.000 -2.473) 7.376 3.766 ( -2.319 0.000 6.697) 7.087 3.950 ( 0.648 0.000 -1.131) 1.304 4.028 ( -9.558 0.000 7.288) 12.020 4.203 ( 9.597 0.000 5.702) 11.163 4.227 ( -1.719 0.000 -1.837) 2.516 4.527 ( -2.378 0.000 0.024) 2.378 4.732 ( -6.903 0.000 5.124) 8.597 4.837 ( 1.396 0.000 1.760) 2.246 5.189 ( 2.661 0.000 9.625) 9.986 5.257 ( -2.823 0.000 0.828) 2.942 5.365 ( -11.525 0.000 -2.209) 11.735 5.416 ( 4.142 0.000 11.463) 12.189 5.618 ( -2.145 0.000 2.994) 3.683 5.825 ( 17.687 0.000 -0.673) 17.700 6.191 ( 3.677 0.000 -2.905) 4.686 6.255 ( 5.984 0.000 0.818) 6.040 6.290 ( -2.467 0.000 0.906) 2.628 6.403 ( -11.508 0.000 -1.963) 11.674 6.674 ( -0.373 0.000 -4.052) 4.069 7.157 ( 3.335 0.000 -0.558) 3.381 7.164 ( -0.797 0.000 -4.606) 4.674 7.457 ( 8.881 0.000 -2.204) 9.150 7.791 ( 7.645 0.000 -8.827) 11.677 7.827 ( 17.232 0.000 0.571) 17.242 8.057 ( -5.457 0.000 -10.664) 11.979 8.271 ( -0.355 0.000 0.100) 0.369 8.421 ( 11.321 0.000 12.452) 16.829 8.469 ( 4.406 0.000 4.915) 6.601 8.611 ( -0.372 0.000 -0.216) 0.430 9.031 ( -15.428 0.000 8.409) 17.571 9.081 ( -10.290 0.000 0.221) 10.293 9.497 ( -10.040 0.000 -11.397) 15.189 9.609 ( -3.083 0.000 2.118) 3.741 9.728 ( -13.426 0.000 -2.906) 13.736 10.122 ( 0.488 0.000 -3.229) 3.265 10.165 ( -0.333 0.000 -1.791) 1.821 10.367 ( -5.997 0.000 -5.317) 8.014 10.473 ( -1.461 0.000 -2.566) 2.953 10.561 ( 5.240 0.000 2.017) 5.614 10.800 ( -2.608 0.000 -4.623) 5.308 11.099 ( -2.173 0.000 -0.184) 2.180 11.339 ( -2.689 0.000 16.871) 17.084 12.633 ( 1.435 0.000 5.444) 5.630 12.649 ( 0.111 0.000 -4.421) 4.422 12.952 ( -8.573 0.000 -1.286) 8.669 13.197 ( 1.157 0.000 1.907) 2.230 13.639 ( 5.130 0.000 -8.466) 9.899 13.978 ( 5.071 0.000 -0.510) 5.097 14.437 ( 7.229 0.000 1.496) 7.382 14.631 ( 1.181 0.000 -2.429) 2.701 14.774 ( 5.763 0.000 1.923) 6.076 15.091 ( 0.014 0.000 -4.372) 4.372 15.461 ( -12.531 0.000 -4.700) 13.383 15.617 ( 0.032 0.000 -0.289) 0.291 15.772 ( 1.641 0.000 0.062) 1.643 16.302 ( 0.768 0.000 -0.416) 0.873 16.654 ( 0.855 0.000 -1.212) 1.483 17.256 ( 0.894 0.000 -2.079) 2.263 18.270 ( 2.050 0.000 -2.983) 3.620 18.288 ( 0.035 0.000 3.059) 3.059 18.828 ( -26.559 0.000 -32.959) 42.329 18.931 ( -3.476 0.000 -1.470) 3.774 18.944 ( -4.540 0.000 -0.265) 4.548 19.647 ( 2.774 0.000 -1.777) 3.294 19.780 ( 0.254 0.000 3.912) 3.920 20.524 ( 9.464 0.000 10.834) 14.385 22.127 ( -0.677 0.000 0.923) 1.145 22.210 ( -0.432 0.000 1.509) 1.570 22.425 ( 0.837 0.000 0.285) 0.885 22.755 ( -1.392 0.000 -5.204) 5.387 23.194 ( 3.475 0.000 0.325) 3.490 23.294 ( 4.143 0.000 -1.751) 4.498 25.487 ( 0.275 0.000 1.107) 1.141 25.487 ( 0.073 0.000 1.163) 1.165 25.743 ( -0.495 0.000 1.218) 1.315 25.891 ( 11.737 0.000 12.245) 16.961 25.944 ( 8.035 0.000 11.142) 13.737 26.098 ( 1.194 0.000 0.426) 1.268 26.498 ( -3.730 0.000 1.779) 4.133 26.707 ( -1.289 0.000 1.208) 1.766 26.822 ( -1.062 0.000 3.931) 4.072 27.239 ( -14.329 0.000 -19.138) 23.908 27.268 ( -6.685 0.000 -6.897) 9.605 27.944 ( -22.133 0.000 -30.514) 37.696 ======================= Grid point 42 (20/96) ======================= q-point: ( 0.00 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 13.157 17.270 19.155) 28.952 0.919 ( -4.575 27.636 19.402) 34.075 1.187 ( 8.367 21.929 35.800) 42.808 1.977 ( -1.494 -15.551 11.898) 19.638 2.531 ( 0.266 -8.740 2.840) 9.194 2.755 ( -2.749 -11.870 1.838) 12.322 2.928 ( 3.011 -19.105 4.356) 19.826 3.049 ( -5.418 -3.041 -0.517) 6.234 3.134 ( 6.745 -5.323 3.957) 9.460 3.259 ( -0.003 -11.248 0.569) 11.262 3.465 ( -3.963 1.251 6.634) 7.829 3.682 ( 0.111 1.922 -0.087) 1.927 3.797 ( -4.160 -7.701 -3.595) 9.462 3.894 ( -0.719 1.489 4.062) 4.385 4.076 ( -3.772 10.176 -3.159) 11.303 4.264 ( 7.789 -5.920 5.716) 11.331 4.396 ( -1.693 1.574 10.930) 11.172 4.516 ( 4.370 4.848 5.597) 8.598 4.743 ( 0.297 4.126 14.931) 15.493 5.007 ( -2.963 -1.627 -0.113) 3.382 5.062 ( 1.290 10.597 1.469) 10.776 5.183 ( -8.169 5.861 -1.532) 10.170 5.363 ( 2.546 3.039 3.663) 5.398 5.573 ( 1.351 -1.842 4.273) 4.845 5.642 ( -1.428 12.495 1.201) 12.634 6.097 ( -6.540 -0.314 -4.952) 8.209 6.198 ( 1.700 5.379 -0.164) 5.644 6.269 ( -1.857 1.097 -2.713) 3.466 6.328 ( 4.419 -0.634 0.780) 4.531 6.374 ( 1.966 5.753 2.337) 6.513 6.644 ( 4.985 -8.123 0.978) 9.581 7.130 ( 0.930 -2.740 -0.951) 3.046 7.255 ( 2.774 4.490 -2.555) 5.864 7.488 ( -2.584 -5.758 -2.035) 6.632 7.720 ( -4.047 -2.839 -8.795) 10.089 7.944 ( 5.264 -9.484 3.194) 11.308 8.035 ( 8.351 -1.750 -5.644) 10.230 8.086 ( -5.479 -5.637 -7.162) 10.634 8.452 ( -8.005 -0.942 3.010) 8.604 8.539 ( -6.038 -1.338 6.933) 9.291 8.658 ( -2.689 4.498 3.423) 6.259 8.844 ( -0.933 6.582 6.139) 9.048 9.061 ( -5.043 5.911 -5.434) 9.481 9.342 ( 5.034 -2.336 -7.154) 9.054 9.482 ( -6.622 0.850 -4.238) 7.908 9.674 ( 4.381 -1.474 6.924) 8.325 9.956 ( 1.033 -6.115 -1.277) 6.332 10.190 ( -3.096 4.292 0.470) 5.313 10.373 ( 3.455 -2.367 -1.857) 4.581 10.506 ( -0.693 9.230 1.770) 9.424 10.724 ( 6.039 -0.314 2.349) 6.487 10.781 ( 0.188 3.379 -2.328) 4.108 10.953 ( 2.304 -7.359 3.633) 8.524 11.360 ( -1.554 -2.450 11.253) 11.621 12.375 ( -1.696 -5.868 2.808) 6.723 12.661 ( 0.459 -4.652 -2.401) 5.255 12.904 ( 0.769 4.583 -0.295) 4.657 13.178 ( -0.554 -2.808 1.253) 3.124 13.801 ( 1.756 4.618 -8.482) 9.816 14.006 ( -0.242 -2.160 -1.421) 2.597 14.484 ( -2.817 0.309 -2.146) 3.555 14.592 ( -1.407 -2.393 -3.400) 4.390 14.809 ( -4.149 1.586 -3.338) 5.556 14.954 ( -4.009 -3.545 -8.234) 9.820 15.400 ( 2.412 13.129 0.610) 13.362 15.709 ( 4.994 2.356 4.964) 7.425 15.770 ( 2.859 -1.587 3.216) 4.586 16.279 ( 1.757 -7.198 -0.565) 7.430 16.782 ( -1.581 6.847 -5.209) 8.747 17.044 ( -1.799 -2.177 0.830) 2.943 18.289 ( 0.446 0.291 -2.172) 2.236 18.305 ( 0.320 1.429 2.085) 2.548 18.734 ( 5.143 -3.362 0.388) 6.157 18.820 ( -3.851 -3.962 -1.741) 5.793 19.216 ( 8.720 7.807 -2.868) 12.051 19.648 ( 0.725 -4.100 -2.259) 4.736 19.992 ( 1.347 12.150 -5.278) 13.316 20.548 ( 6.386 -15.252 7.171) 18.023 22.101 ( -0.346 -1.012 0.799) 1.335 22.177 ( -0.953 -2.699 1.820) 3.392 22.564 ( 1.139 8.608 -0.043) 8.683 22.973 ( -4.783 16.638 -16.490) 23.909 23.222 ( -0.999 0.593 -2.002) 2.315 23.243 ( -0.531 -7.910 -1.967) 8.169 25.491 ( -0.016 0.111 1.385) 1.389 25.513 ( -0.436 0.579 1.941) 2.072 25.735 ( -1.052 0.414 0.944) 1.473 25.905 ( 0.920 -3.321 0.312) 3.460 25.933 ( -10.539 -4.874 8.856) 14.603 26.086 ( 0.167 -3.019 1.144) 3.233 26.468 ( -0.199 0.305 1.878) 1.913 26.578 ( 6.557 -5.124 3.154) 8.900 26.813 ( 1.938 6.952 0.644) 7.246 27.143 ( 5.329 -0.093 -5.750) 7.841 27.335 ( 2.689 10.192 -5.701) 11.983 27.580 ( -4.241 -2.051 -0.050) 4.711 ======================= Grid point 43 (21/96) ======================= q-point: ( 0.14 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 7.015 11.327 23.964) 27.419 1.178 ( 18.317 17.477 16.429) 30.180 1.858 ( 34.413 17.382 26.995) 47.065 2.102 ( 9.262 -14.579 11.380) 20.684 2.535 ( -0.387 -4.868 1.569) 5.129 2.640 ( -7.514 -16.735 0.596) 18.354 2.925 ( -2.326 -18.798 4.941) 19.575 3.065 ( 3.864 7.103 0.876) 8.134 3.259 ( 0.091 -4.211 1.571) 4.496 3.274 ( 2.229 -12.049 3.017) 12.619 3.455 ( 1.156 4.646 8.556) 9.805 3.640 ( -3.981 -4.674 0.470) 6.157 3.738 ( -0.412 -2.834 -2.180) 3.599 3.926 ( 2.713 4.362 0.329) 5.147 4.030 ( -0.711 6.293 -1.585) 6.529 4.241 ( -11.759 -1.496 5.505) 13.070 4.463 ( 5.153 0.489 4.601) 6.925 4.591 ( -1.413 2.410 10.517) 10.882 4.876 ( -4.608 4.338 7.909) 10.129 4.886 ( 4.439 2.064 7.182) 8.692 5.060 ( -2.160 -1.631 0.771) 2.815 5.129 ( 4.961 10.746 5.614) 13.100 5.452 ( 4.951 4.526 4.519) 8.088 5.518 ( -2.165 3.287 -2.705) 4.775 5.733 ( -1.273 4.731 4.633) 6.742 5.903 ( -6.098 5.730 -0.801) 8.406 6.110 ( -8.695 0.614 -5.535) 10.325 6.249 ( 2.748 0.592 0.436) 2.845 6.403 ( -1.447 -2.347 1.295) 3.046 6.471 ( 8.506 1.548 2.696) 9.056 6.743 ( 2.070 -7.336 1.963) 7.871 7.055 ( -8.488 -3.003 -2.783) 9.424 7.195 ( -8.793 3.766 -5.849) 11.212 7.321 ( -10.953 -7.547 -4.193) 13.947 7.627 ( -4.130 1.244 -6.446) 7.756 7.872 ( -9.410 -4.397 -5.999) 11.994 8.037 ( -1.723 -4.295 -0.402) 4.645 8.126 ( 0.331 -0.983 -5.798) 5.890 8.332 ( -1.588 -3.398 3.943) 5.442 8.484 ( 3.131 -7.132 5.162) 9.344 8.650 ( 2.983 5.824 6.189) 9.006 8.861 ( -2.619 9.770 2.914) 10.527 9.038 ( 3.672 -0.234 -4.047) 5.470 9.292 ( -5.823 -2.144 -10.061) 11.821 9.511 ( 8.938 1.733 -7.324) 11.684 9.842 ( 7.675 -9.691 2.154) 12.549 9.986 ( 1.463 -1.675 1.423) 2.641 10.167 ( 1.019 -0.364 0.461) 1.176 10.465 ( 2.833 3.638 -0.713) 4.666 10.523 ( 3.851 2.048 -0.327) 4.374 10.745 ( 1.779 0.336 -1.695) 2.480 10.901 ( 6.190 2.592 10.553) 12.506 11.059 ( 6.583 -1.460 0.900) 6.802 11.396 ( 1.344 0.017 8.650) 8.754 12.390 ( 2.041 -3.332 2.494) 4.635 12.678 ( 2.494 -4.427 -1.839) 5.404 12.988 ( 6.985 3.344 -0.456) 7.757 13.158 ( -1.776 -0.987 1.184) 2.352 13.766 ( -1.853 3.983 -6.708) 8.018 13.940 ( -5.596 -2.754 -2.040) 6.562 14.374 ( -6.364 1.814 -2.062) 6.931 14.510 ( -5.511 -3.052 -4.055) 7.492 14.677 ( -5.362 4.281 -4.976) 8.475 14.860 ( -2.828 -2.753 -9.803) 10.567 15.557 ( 10.455 8.031 2.249) 13.374 15.829 ( 4.434 1.407 4.449) 6.437 15.843 ( 3.324 -0.100 4.648) 5.715 16.298 ( 0.255 -5.032 -0.013) 5.039 16.726 ( -1.496 5.573 -2.336) 6.225 17.072 ( 2.854 -2.311 0.275) 3.683 18.277 ( -0.938 0.367 -1.922) 2.170 18.317 ( -0.045 1.197 2.258) 2.556 18.721 ( -2.750 -1.034 -4.801) 5.628 18.826 ( 3.302 -3.077 -2.573) 5.195 19.393 ( 7.397 -6.089 -1.519) 9.700 19.621 ( -2.304 -4.516 -3.225) 6.009 20.017 ( 2.646 12.194 -4.631) 13.310 20.697 ( 5.936 -17.251 4.282) 18.739 22.103 ( 0.108 -1.291 1.300) 1.835 22.167 ( -0.607 -2.194 1.505) 2.729 22.570 ( -0.890 7.254 0.944) 7.370 22.760 ( -8.018 17.371 -8.963) 21.128 23.143 ( -5.658 0.042 -2.859) 6.340 23.181 ( -4.567 -7.337 -2.552) 9.011 25.492 ( -0.365 0.112 1.416) 1.467 25.508 ( -0.569 0.238 2.007) 2.099 25.704 ( -3.181 3.450 3.682) 5.965 25.784 ( -3.818 4.268 3.845) 6.897 25.924 ( 0.565 -2.963 0.988) 3.174 26.079 ( -1.216 -2.973 1.234) 3.441 26.521 ( 4.105 0.795 2.434) 4.838 26.685 ( 2.221 -3.362 2.352) 4.666 26.867 ( 1.676 5.849 1.857) 6.362 27.259 ( 3.983 -1.760 -1.778) 4.703 27.521 ( -0.306 -0.266 -0.557) 0.689 27.545 ( 17.949 -7.387 -13.115) 23.425 ======================= Grid point 44 (22/96) ======================= q-point: ( 0.29 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 18.620 2.055 17.179) 25.417 1.562 ( 13.947 10.705 12.393) 21.511 2.314 ( 4.275 -17.408 8.121) 19.679 2.433 ( 7.416 9.991 2.865) 12.768 2.526 ( 1.710 -10.512 2.466) 10.932 2.624 ( 12.024 -2.266 8.508) 14.903 2.918 ( -0.220 -9.196 1.202) 9.277 3.129 ( -1.030 3.611 2.285) 4.396 3.195 ( -0.941 -3.605 7.175) 8.085 3.327 ( -0.323 -4.495 3.837) 5.919 3.537 ( 0.090 -3.380 4.551) 5.669 3.571 ( 0.775 1.726 4.182) 4.590 3.700 ( -3.981 0.662 -2.658) 4.832 3.910 ( -9.057 2.134 -3.470) 9.931 4.029 ( -0.607 7.630 3.427) 8.386 4.110 ( 5.393 0.021 1.027) 5.490 4.511 ( -0.927 -1.977 9.266) 9.520 4.633 ( -0.871 -2.857 8.393) 8.909 4.711 ( -3.464 6.752 3.591) 8.396 5.006 ( -0.162 -3.237 -1.907) 3.761 5.115 ( 5.442 12.285 9.502) 16.457 5.367 ( 11.188 1.723 7.389) 13.518 5.408 ( -7.818 -8.903 2.732) 12.159 5.474 ( -9.256 11.271 -2.023) 14.724 5.674 ( 4.898 6.147 4.918) 9.272 5.869 ( -6.581 -2.520 -2.526) 7.486 5.933 ( -4.433 10.849 1.950) 11.881 6.332 ( 3.676 -2.513 3.236) 5.505 6.370 ( 0.507 -7.706 -1.156) 7.808 6.655 ( 5.782 -1.730 5.097) 7.900 6.699 ( -4.235 1.550 -0.789) 4.578 6.831 ( -8.774 -7.728 -5.261) 12.821 6.979 ( -10.374 -0.095 -4.869) 11.461 7.064 ( -13.115 -9.808 -5.537) 17.287 7.393 ( -10.878 6.832 -5.185) 13.852 7.833 ( 1.334 -0.683 0.699) 1.654 7.898 ( -7.345 -2.556 -6.653) 10.235 8.058 ( -2.339 -2.286 -3.596) 4.861 8.449 ( 5.575 -1.381 6.319) 8.539 8.617 ( 7.106 -3.683 3.709) 8.822 8.787 ( 6.011 5.136 6.284) 10.100 8.793 ( -2.836 6.829 1.631) 7.573 9.081 ( -0.107 2.697 -7.127) 7.621 9.177 ( 0.394 -6.787 -5.189) 8.552 9.640 ( 5.806 2.425 -6.299) 8.903 9.923 ( 1.227 -5.632 -3.289) 6.636 10.015 ( 1.001 -6.427 3.980) 7.626 10.205 ( 0.853 -7.921 3.153) 8.568 10.489 ( 2.419 7.726 -1.560) 8.245 10.626 ( 4.089 3.194 -0.368) 5.202 10.813 ( 5.368 -1.810 -2.151) 6.059 11.039 ( 3.395 -0.506 8.464) 9.134 11.190 ( 5.668 4.663 0.732) 7.376 11.469 ( 3.351 4.017 5.482) 7.577 12.451 ( 2.822 -2.929 2.061) 4.559 12.743 ( 4.007 -7.402 -1.042) 8.481 13.135 ( 6.526 1.967 -2.480) 7.253 13.142 ( 2.045 3.559 1.261) 4.294 13.689 ( -3.720 2.313 -6.586) 7.910 13.794 ( -7.917 -1.969 -1.665) 8.326 14.252 ( -5.148 3.006 -0.745) 6.008 14.368 ( -6.382 -1.890 -3.392) 7.471 14.601 ( -1.115 4.647 -3.324) 5.822 14.790 ( -0.778 -1.936 -5.865) 6.225 15.743 ( 6.914 2.754 0.931) 7.501 15.884 ( 0.830 -1.349 2.561) 3.011 15.934 ( 3.313 2.415 2.160) 4.634 16.292 ( -0.545 -4.014 -0.828) 4.134 16.704 ( -0.481 4.651 -0.932) 4.768 17.125 ( 2.312 -3.722 -0.875) 4.468 18.246 ( -1.247 0.537 -2.089) 2.492 18.316 ( -0.927 0.832 2.295) 2.611 18.685 ( 0.687 2.156 -2.396) 3.296 18.889 ( 4.329 -2.013 -2.368) 5.329 19.468 ( 0.927 -6.525 -1.866) 6.849 19.552 ( -2.482 -7.111 -4.187) 8.617 20.050 ( 2.309 13.356 -4.497) 14.281 20.788 ( 1.843 -12.058 0.845) 12.227 22.115 ( 0.653 -1.382 1.264) 1.983 22.165 ( -0.075 -1.718 1.446) 2.247 22.538 ( -1.936 8.963 1.228) 9.252 22.662 ( -0.413 5.721 -3.774) 6.866 23.014 ( -5.694 -1.333 -1.943) 6.163 23.063 ( -6.134 -6.272 -2.567) 9.141 25.490 ( -0.277 0.140 1.036) 1.081 25.505 ( -0.513 0.238 1.735) 1.824 25.665 ( -2.135 6.224 5.132) 8.344 25.760 ( -0.726 2.500 1.093) 2.824 25.931 ( -0.264 -2.333 1.179) 2.627 26.060 ( -1.026 -2.813 1.233) 3.238 26.620 ( 4.552 0.825 2.793) 5.404 26.716 ( 0.369 -1.029 1.939) 2.226 26.894 ( 0.619 7.283 1.424) 7.447 27.321 ( 3.394 0.309 -1.652) 3.787 27.483 ( -1.878 -0.364 -0.823) 2.083 27.831 ( 13.784 -13.979 -12.919) 23.501 ======================= Grid point 45 (23/96) ======================= q-point: ( 0.43 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 9.015 3.837 12.121) 15.585 1.722 ( -1.014 -2.233 5.797) 6.294 2.335 ( -7.026 -14.587 -2.003) 16.314 2.388 ( 2.281 -17.474 5.008) 18.320 2.622 ( 3.212 19.873 -0.568) 20.139 2.820 ( -3.834 -10.360 -4.155) 11.802 2.917 ( 3.841 6.283 6.705) 9.959 3.096 ( -0.002 -1.372 5.181) 5.360 3.245 ( -4.479 1.199 -0.463) 4.660 3.294 ( -0.643 -9.087 10.036) 13.553 3.538 ( -7.862 3.110 -6.469) 10.645 3.565 ( 3.608 4.850 7.708) 9.796 3.689 ( 5.559 5.008 5.122) 9.068 3.739 ( -6.186 -2.696 -0.139) 6.749 4.018 ( -0.486 4.243 0.119) 4.273 4.275 ( 5.867 -4.989 -0.058) 7.701 4.523 ( -3.485 -1.424 14.018) 14.514 4.588 ( -2.530 -2.595 5.060) 6.224 4.839 ( 11.683 2.056 6.087) 13.333 5.005 ( 0.039 1.522 -0.391) 1.572 5.082 ( -10.122 0.784 2.080) 10.363 5.229 ( -4.658 4.868 3.270) 7.489 5.387 ( -4.532 8.801 0.017) 9.900 5.595 ( 3.520 7.991 0.250) 8.735 5.612 ( 0.443 2.507 0.320) 2.566 5.732 ( -8.578 -2.898 -0.030) 9.055 5.912 ( -2.026 7.844 2.237) 8.404 6.340 ( -2.815 -5.468 3.081) 6.878 6.523 ( 5.454 -13.882 1.373) 14.978 6.592 ( -4.011 -3.579 -3.941) 6.666 6.613 ( -1.428 -1.563 -4.012) 4.537 6.704 ( -3.897 2.052 -3.202) 5.445 6.870 ( 3.507 -7.647 4.517) 9.549 6.990 ( 3.726 -6.160 7.771) 10.593 7.274 ( -0.986 10.165 1.212) 10.285 7.709 ( -6.668 2.217 -10.009) 12.230 7.871 ( 1.203 -1.134 -1.281) 2.092 8.059 ( 2.356 -2.109 0.871) 3.280 8.451 ( -5.482 -0.735 -3.604) 6.601 8.659 ( -3.012 -2.556 -6.723) 7.797 8.838 ( 1.446 4.869 3.815) 6.353 8.897 ( 4.170 6.693 9.546) 12.382 9.081 ( 6.498 0.636 1.663) 6.737 9.260 ( 5.174 -6.036 2.178) 8.243 9.693 ( 2.854 0.120 -5.104) 5.849 9.904 ( -1.805 -3.103 -0.079) 3.591 10.053 ( 1.610 -5.850 1.067) 6.161 10.216 ( -0.949 -11.454 3.442) 11.998 10.532 ( 1.786 9.201 -1.079) 9.435 10.650 ( -1.201 5.193 -1.629) 5.573 10.903 ( 3.933 -3.777 -4.430) 7.026 11.077 ( -1.933 -1.764 4.459) 5.170 11.247 ( -0.001 7.273 -1.162) 7.365 11.547 ( 1.905 4.928 3.741) 6.473 12.504 ( 1.633 -3.390 2.480) 4.507 12.798 ( 1.499 -10.621 1.138) 10.786 13.196 ( 3.952 6.295 -3.372) 8.162 13.262 ( 4.890 0.964 -1.285) 5.147 13.571 ( -4.855 3.291 -7.696) 9.677 13.659 ( -4.141 -0.892 -0.951) 4.342 14.174 ( -2.298 3.521 -0.982) 4.318 14.296 ( 0.334 -1.626 1.067) 1.974 14.594 ( 1.080 4.943 -1.049) 5.167 14.804 ( 3.339 -1.419 -0.024) 3.628 15.819 ( 1.245 -0.238 -1.170) 1.725 15.879 ( -1.959 -1.718 -0.276) 2.620 15.965 ( -0.681 2.661 -1.600) 3.179 16.273 ( -0.804 -4.689 -2.490) 5.370 16.696 ( -0.151 5.638 -0.143) 5.642 17.151 ( 0.979 -4.093 -1.917) 4.625 18.223 ( -0.139 0.740 -2.223) 2.347 18.300 ( -1.384 0.389 2.013) 2.474 18.727 ( 3.371 2.570 1.663) 4.554 18.972 ( 3.922 -2.943 0.057) 4.904 19.432 ( -1.847 -2.969 -2.747) 4.446 19.515 ( -0.518 -10.280 -5.160) 11.514 20.075 ( 2.072 14.776 -4.673) 15.635 20.757 ( -4.693 -6.705 -3.376) 8.853 22.134 ( 0.629 -1.644 1.176) 2.117 22.177 ( 0.635 -1.010 1.963) 2.297 22.519 ( -0.948 9.610 0.339) 9.662 22.681 ( 2.853 -3.333 -0.964) 4.492 22.940 ( -2.081 -4.973 -0.012) 5.391 22.953 ( -2.100 -2.030 -2.115) 3.606 25.488 ( -0.285 0.171 0.799) 0.865 25.500 ( -0.580 0.286 1.252) 1.409 25.655 ( -0.874 6.149 5.339) 8.190 25.753 ( -0.299 2.021 0.698) 2.159 25.923 ( -0.838 -1.821 0.829) 2.169 26.049 ( -0.514 -2.618 1.111) 2.890 26.695 ( 0.908 0.371 1.706) 1.967 26.720 ( 0.111 -0.173 2.981) 2.988 26.904 ( -0.003 7.779 0.845) 7.824 27.377 ( 2.790 -0.322 -2.316) 3.640 27.441 ( -2.028 1.032 -0.997) 2.485 27.995 ( 7.570 -14.760 -10.008) 19.373 ======================= Grid point 46 (24/96) ======================= q-point: (-0.43 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -18.608 0.330 6.109) 19.588 1.662 ( -14.930 0.177 1.730) 15.031 2.237 ( 0.146 -17.676 1.077) 17.710 2.439 ( 0.539 -6.963 -0.250) 6.988 2.650 ( -8.786 -10.646 -3.850) 14.331 2.711 ( 0.141 11.854 3.702) 12.419 2.827 ( -10.847 -0.598 0.894) 10.900 3.091 ( -4.081 5.015 -1.214) 6.579 3.204 ( -0.987 0.576 -1.986) 2.291 3.313 ( 2.112 -9.025 9.036) 12.945 3.399 ( -1.567 5.454 -3.179) 6.505 3.623 ( -4.367 -0.063 7.704) 8.856 3.766 ( 8.522 6.106 3.782) 11.146 3.817 ( 6.044 4.860 5.323) 9.406 4.011 ( -0.353 2.375 -0.629) 2.482 4.250 ( -5.743 -10.363 -0.719) 11.870 4.475 ( -6.558 2.425 12.335) 14.179 4.589 ( -0.568 2.011 3.130) 3.763 4.896 ( -0.884 -2.574 10.034) 10.397 5.017 ( -3.093 7.939 0.715) 8.550 5.163 ( 11.695 -6.332 3.041) 13.642 5.169 ( -9.384 3.185 1.147) 9.976 5.278 ( 8.612 3.504 -0.898) 9.341 5.424 ( -17.458 -3.501 -5.267) 18.569 5.606 ( -2.547 5.325 -2.303) 6.336 5.813 ( 9.854 0.533 3.435) 10.449 5.853 ( -1.442 11.185 0.372) 11.284 6.246 ( -5.010 -5.828 -2.851) 8.197 6.479 ( 0.075 -5.698 0.356) 5.710 6.552 ( 0.276 -2.573 -1.487) 2.984 6.646 ( 2.697 -1.135 -0.772) 3.026 6.878 ( 10.884 5.008 5.847) 13.332 6.996 ( 1.965 -6.325 2.370) 7.034 7.082 ( 5.628 -7.356 5.304) 10.673 7.414 ( 13.322 3.035 8.810) 16.258 7.585 ( -0.726 7.911 -9.074) 12.060 7.894 ( 1.782 -0.468 -2.860) 3.402 8.141 ( 4.957 -3.633 4.935) 7.881 8.294 ( -6.981 -2.140 -6.645) 9.873 8.519 ( -6.488 -0.079 -9.069) 11.151 8.796 ( -4.377 4.993 -1.096) 6.730 9.043 ( 4.261 3.867 15.391) 16.431 9.280 ( 9.278 -4.736 6.047) 12.045 9.322 ( -0.526 -3.537 4.296) 5.589 9.766 ( 6.145 -0.168 -3.041) 6.858 9.858 ( -2.642 0.296 -0.011) 2.659 10.069 ( -0.946 -6.804 0.891) 6.927 10.182 ( -3.645 -9.488 1.693) 10.304 10.548 ( 0.348 7.856 -1.092) 7.939 10.584 ( -3.649 4.934 -4.273) 7.478 10.901 ( -3.145 -2.877 -5.085) 6.635 10.997 ( -7.002 -0.340 2.156) 7.334 11.196 ( -3.590 4.816 -4.176) 7.316 11.546 ( -3.265 4.110 4.275) 6.770 12.529 ( -0.392 -3.945 3.530) 5.308 12.806 ( -1.756 -9.281 0.450) 9.456 13.175 ( -3.744 4.624 -2.617) 6.500 13.286 ( -3.418 -0.934 -1.346) 3.790 13.516 ( 3.607 3.959 -8.793) 10.296 13.681 ( 6.494 0.070 -1.132) 6.592 14.180 ( 3.384 5.276 0.603) 6.297 14.374 ( 5.812 -3.171 3.230) 7.367 14.636 ( 3.071 6.218 1.795) 7.164 14.907 ( 6.041 -0.890 3.232) 6.908 15.800 ( -3.153 -1.596 -3.246) 4.799 15.808 ( -3.259 -0.767 -3.184) 4.620 15.889 ( -6.017 2.427 -3.674) 7.457 16.245 ( -0.667 -6.129 -4.197) 7.459 16.701 ( 0.694 6.733 0.382) 6.780 17.154 ( 0.150 -3.941 -1.577) 4.248 18.227 ( 1.327 1.065 -2.227) 2.803 18.283 ( -0.795 0.082 1.582) 1.773 18.806 ( 2.979 -0.040 4.409) 5.321 19.008 ( -0.918 -3.992 0.733) 4.162 19.426 ( 1.691 -4.249 -3.731) 5.902 19.470 ( -1.372 -8.155 -6.890) 10.764 20.096 ( 1.812 15.451 -6.166) 16.735 20.597 ( -9.147 -2.968 -4.834) 10.763 22.144 ( -0.109 -1.603 0.945) 1.864 22.199 ( 0.526 -0.348 2.643) 2.717 22.492 ( -1.279 7.328 -0.502) 7.456 22.739 ( 2.465 -2.062 0.381) 3.236 22.939 ( 4.157 -5.536 0.101) 6.924 23.004 ( 5.493 -1.988 -0.233) 5.847 25.486 ( -0.299 0.143 1.100) 1.149 25.493 ( -0.389 0.391 0.619) 0.829 25.669 ( 0.256 5.633 6.093) 8.301 25.754 ( 0.194 1.899 0.931) 2.124 25.907 ( -0.865 -1.694 0.191) 1.912 26.047 ( -0.092 -2.525 0.964) 2.705 26.662 ( -3.422 0.714 1.209) 3.699 26.741 ( -0.406 -0.938 2.926) 3.099 26.899 ( -0.780 7.310 0.717) 7.386 27.374 ( -2.382 -2.570 -2.744) 4.450 27.428 ( 1.265 3.558 -1.702) 4.142 28.056 ( 1.963 -16.754 -8.690) 18.976 ======================= Grid point 47 (25/96) ======================= q-point: (-0.29 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -23.866 -1.748 10.550) 26.152 1.218 ( -26.047 7.057 -2.120) 27.069 2.160 ( -20.370 -4.018 1.857) 20.846 2.255 ( -16.041 2.337 1.202) 16.255 2.515 ( -2.964 -5.432 1.946) 6.487 2.587 ( 1.747 -16.931 0.479) 17.027 2.792 ( 0.900 -7.367 4.572) 8.717 3.029 ( -2.350 6.079 -4.478) 7.908 3.199 ( 2.393 -4.387 -0.257) 5.004 3.316 ( -1.932 -6.545 1.481) 6.983 3.489 ( 4.371 2.853 4.418) 6.839 3.586 ( -0.768 1.284 7.530) 7.677 3.866 ( 0.471 -0.530 3.333) 3.408 3.995 ( 2.391 6.877 -1.142) 7.370 4.001 ( 5.009 7.891 6.981) 11.666 4.161 ( -2.551 -7.693 3.085) 8.672 4.396 ( -3.768 4.967 9.240) 11.146 4.543 ( -4.613 -1.521 0.312) 4.867 4.837 ( -14.023 1.519 -4.707) 14.870 4.993 ( 2.645 4.996 1.086) 5.756 5.059 ( -2.612 -1.730 6.300) 7.036 5.139 ( -1.726 -2.739 6.881) 7.604 5.378 ( 3.027 -5.507 2.532) 6.775 5.501 ( 3.940 -3.953 0.033) 5.582 5.582 ( 12.282 11.211 1.112) 16.667 5.807 ( -2.187 15.208 1.668) 15.455 6.044 ( 9.803 -3.531 2.013) 10.612 6.159 ( -2.036 -2.857 -5.127) 6.213 6.427 ( -3.340 0.695 0.216) 3.418 6.560 ( -2.799 -1.468 -0.036) 3.161 6.711 ( 0.071 1.937 -2.174) 2.912 6.960 ( 2.932 -6.961 -0.065) 7.554 7.171 ( 4.119 -0.102 -1.773) 4.486 7.196 ( 13.728 -0.023 3.343) 14.129 7.551 ( 5.270 3.811 -3.655) 7.460 7.773 ( 7.662 -2.344 -3.898) 8.910 7.997 ( 13.398 3.316 11.157) 17.747 8.128 ( -4.254 -6.782 -7.567) 11.015 8.311 ( 4.765 -1.632 5.424) 7.402 8.389 ( -1.329 -0.345 -4.027) 4.255 8.694 ( -5.377 4.827 0.158) 7.228 9.115 ( -3.189 0.587 14.208) 14.573 9.261 ( -5.920 -2.595 3.000) 7.126 9.473 ( 7.533 -6.519 5.762) 11.508 9.716 ( -7.583 2.678 -5.333) 9.649 9.886 ( -4.713 -3.063 0.883) 5.689 10.057 ( 5.551 -3.814 -0.651) 6.766 10.094 ( -5.214 -4.478 0.239) 6.877 10.495 ( -3.129 2.998 -4.847) 6.502 10.557 ( 0.422 5.187 -1.305) 5.366 10.734 ( -10.162 3.748 -4.602) 11.768 10.871 ( -5.898 -2.621 0.508) 6.474 11.094 ( -5.167 -0.583 -4.010) 6.566 11.471 ( -5.978 2.873 6.844) 9.530 12.503 ( -3.737 -5.270 3.380) 7.291 12.728 ( -4.202 -3.542 -2.336) 5.972 13.105 ( -5.119 -1.148 -1.290) 5.403 13.177 ( -3.232 -0.090 0.134) 3.236 13.613 ( 7.942 4.636 -8.236) 12.345 13.832 ( 8.182 -1.005 -1.190) 8.329 14.304 ( 7.961 4.687 2.378) 9.539 14.504 ( 5.754 -4.499 1.846) 7.534 14.722 ( 4.538 6.959 2.991) 8.830 15.032 ( 4.734 -0.961 2.559) 5.466 15.684 ( -6.367 0.281 -2.521) 6.854 15.717 ( -7.952 2.260 -6.070) 10.256 15.756 ( -2.386 -0.894 -3.058) 3.980 16.227 ( 0.529 -7.386 -3.843) 8.343 16.726 ( 1.815 7.394 0.091) 7.614 17.150 ( -0.305 -4.919 0.055) 4.929 18.254 ( 2.082 1.232 -2.268) 3.316 18.282 ( 0.016 0.123 1.504) 1.510 18.848 ( -0.968 -4.283 1.021) 4.509 18.948 ( -4.445 -3.835 -0.112) 5.872 19.326 ( -6.548 -3.297 -12.158) 14.197 19.523 ( 5.265 -3.979 -1.673) 6.809 20.082 ( -0.761 15.284 -10.027) 18.295 20.434 ( -5.119 -1.987 2.083) 5.873 22.134 ( -1.021 -1.132 0.334) 1.561 22.206 ( -0.941 -1.342 2.784) 3.231 22.489 ( 1.432 7.474 -0.525) 7.628 22.805 ( 5.379 4.429 -0.630) 6.997 23.069 ( 7.444 -4.006 0.897) 8.501 23.125 ( 6.302 -4.047 -0.945) 7.549 25.484 ( -0.274 0.125 1.074) 1.116 25.494 ( 0.239 0.549 0.951) 1.124 25.714 ( 1.916 3.697 6.912) 8.069 25.767 ( 0.655 2.641 2.965) 4.024 25.894 ( -0.401 -2.127 -0.404) 2.202 26.055 ( 0.602 -2.522 0.926) 2.753 26.584 ( -4.715 0.709 1.347) 4.955 26.719 ( -2.692 -2.531 1.999) 4.201 26.877 ( -1.751 5.997 0.607) 6.277 27.304 ( -3.484 -2.513 -3.302) 5.418 27.433 ( -0.146 3.161 -3.821) 4.962 27.987 ( -6.360 -19.280 -10.279) 22.756 ======================= Grid point 48 (26/96) ======================= q-point: (-0.14 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( -17.571 7.915 10.029) 21.725 0.851 ( -10.471 15.838 19.416) 27.156 1.549 ( -34.441 26.304 12.429) 45.084 2.061 ( -9.804 -16.833 8.565) 21.280 2.502 ( 1.120 -14.366 1.734) 14.514 2.698 ( 5.879 -7.814 3.547) 10.402 2.855 ( 2.914 -16.336 2.695) 16.812 3.019 ( 2.966 0.885 -0.106) 3.097 3.177 ( -4.590 -13.504 -0.908) 14.292 3.288 ( -1.682 -5.114 -0.431) 5.401 3.517 ( -3.478 3.067 10.667) 11.631 3.644 ( 3.238 3.282 0.339) 4.623 3.840 ( -1.317 -14.580 -0.249) 14.642 3.986 ( -7.506 0.972 4.694) 8.906 4.083 ( 6.721 6.560 4.297) 10.328 4.173 ( -1.415 14.262 -2.631) 14.571 4.386 ( -2.942 -5.766 9.182) 11.234 4.465 ( -0.350 0.177 1.844) 1.885 4.667 ( -0.032 6.528 5.964) 8.842 5.002 ( 1.403 6.919 0.410) 7.072 5.054 ( -0.753 -0.086 2.100) 2.233 5.275 ( 4.872 0.265 11.893) 12.855 5.332 ( -3.990 0.503 -1.481) 4.286 5.515 ( -0.982 -4.925 1.328) 5.194 5.740 ( -4.543 15.431 3.563) 16.475 5.959 ( 18.075 7.447 1.288) 19.591 6.141 ( 1.402 -1.848 -3.071) 3.849 6.197 ( 6.904 -4.357 -0.601) 8.186 6.388 ( -5.275 4.590 1.571) 7.167 6.431 ( -5.592 5.177 -1.137) 7.705 6.630 ( -3.416 -2.587 -4.535) 6.239 7.082 ( 4.657 -6.436 -0.796) 7.984 7.198 ( 4.023 -0.330 -6.423) 7.586 7.429 ( 6.864 0.433 1.968) 7.154 7.720 ( 9.424 -3.836 -2.857) 10.569 7.807 ( 3.498 -1.971 -4.719) 6.196 8.020 ( -2.045 -3.565 -7.725) 8.750 8.211 ( -4.506 -7.850 -5.722) 10.708 8.419 ( 13.946 1.112 11.807) 18.306 8.520 ( 3.389 1.945 8.515) 9.368 8.614 ( -1.404 3.005 2.427) 4.110 9.007 ( -11.809 2.677 8.418) 14.747 9.148 ( -5.008 0.762 1.572) 5.304 9.484 ( -11.562 -2.437 -10.758) 15.979 9.596 ( -0.434 -0.488 3.104) 3.172 9.680 ( -9.346 -1.911 1.839) 9.715 9.986 ( -3.915 -4.559 -2.738) 6.604 10.211 ( 3.780 -0.589 2.654) 4.656 10.401 ( -4.434 0.143 -5.267) 6.887 10.541 ( -2.480 7.092 0.534) 7.532 10.602 ( 1.350 4.398 -1.287) 4.777 10.798 ( -0.878 -0.901 -1.608) 2.042 10.981 ( -4.781 -5.873 -0.885) 7.624 11.386 ( -5.195 0.751 10.365) 11.619 12.427 ( -4.224 -7.054 2.421) 8.571 12.672 ( -0.942 -3.482 -2.138) 4.193 12.967 ( -6.142 1.672 -1.308) 6.499 13.173 ( 0.466 -2.474 1.113) 2.753 13.738 ( 7.267 5.331 -7.952) 12.020 13.962 ( 5.014 -1.820 -1.235) 5.475 14.457 ( 5.566 1.720 1.249) 5.958 14.589 ( 2.533 -3.578 -1.207) 4.547 14.810 ( 3.060 4.115 0.766) 5.185 15.064 ( -2.337 -2.916 -3.131) 4.875 15.492 ( -9.497 7.264 -2.847) 12.291 15.636 ( 0.512 1.666 -0.148) 1.749 15.727 ( 0.429 -1.818 -0.365) 1.903 16.242 ( 2.054 -7.892 -1.983) 8.392 16.772 ( 2.919 7.456 -1.970) 8.246 17.125 ( -3.332 -7.194 -0.110) 7.929 18.282 ( 1.335 0.503 -2.384) 2.778 18.291 ( 0.312 0.834 1.685) 1.906 18.727 ( -6.374 -0.445 -5.386) 8.357 18.890 ( -2.890 -3.941 1.787) 5.203 19.176 ( -2.456 9.556 -8.737) 13.179 19.609 ( 3.756 -4.348 -1.467) 5.930 20.016 ( -1.358 13.593 -8.265) 15.966 20.431 ( 2.269 -6.405 7.472) 10.099 22.113 ( -1.028 -0.701 0.189) 1.259 22.191 ( -1.264 -2.626 2.285) 3.704 22.530 ( 2.325 8.972 -0.438) 9.279 22.949 ( 9.392 10.790 -7.539) 16.170 23.193 ( 4.340 -1.249 -0.180) 4.520 23.218 ( 3.451 -6.071 -1.769) 7.204 25.485 ( 0.055 0.142 1.091) 1.102 25.506 ( 0.364 0.732 1.643) 1.835 25.746 ( -0.325 0.494 1.140) 1.284 25.866 ( 6.534 -0.694 13.857) 15.336 25.892 ( 0.738 -2.503 -1.062) 2.817 26.076 ( 0.979 -2.788 1.189) 3.185 26.503 ( -3.685 0.394 1.767) 4.106 26.639 ( -6.859 -6.536 -0.129) 9.475 26.832 ( -2.762 5.742 -0.405) 6.385 27.205 ( -5.268 -3.887 -6.860) 9.482 27.380 ( -3.150 7.252 -6.697) 10.362 27.744 ( -12.247 -10.757 -6.839) 17.677 ======================= Grid point 49 (27/96) ======================= q-point: ( 0.00 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 3.014 19.205 20.486) 28.241 1.446 ( -8.138 3.908 16.638) 18.929 1.489 ( 15.705 10.943 19.395) 27.250 1.913 ( 0.907 17.565 8.504) 19.537 2.127 ( 4.824 -17.980 10.996) 21.621 2.557 ( -3.425 -17.403 5.531) 18.579 2.639 ( -2.589 -4.438 -1.249) 5.288 2.780 ( 1.463 -19.917 4.236) 20.415 3.162 ( 2.429 10.036 0.062) 10.326 3.266 ( 2.232 6.046 2.066) 6.768 3.432 ( -0.766 -7.828 0.240) 7.869 3.524 ( -1.511 -11.176 1.829) 11.425 3.711 ( -1.534 5.453 5.402) 7.827 3.901 ( -1.059 -9.101 1.039) 9.221 4.187 ( -0.803 3.985 0.722) 4.129 4.201 ( -3.148 1.695 3.449) 4.968 4.409 ( 0.302 5.396 8.896) 10.409 4.598 ( -2.423 -10.683 9.852) 14.733 4.871 ( 7.455 18.906 8.362) 21.976 5.088 ( -3.370 3.244 -0.700) 4.730 5.175 ( 3.062 -1.237 4.080) 5.249 5.214 ( -0.366 -7.583 2.589) 8.021 5.494 ( -2.468 12.661 2.724) 13.184 5.605 ( 2.434 5.145 5.344) 7.807 5.863 ( -2.879 6.044 -5.253) 8.510 5.958 ( 0.577 -7.426 -3.296) 8.145 6.266 ( -0.791 0.814 0.104) 1.139 6.283 ( -5.571 -0.068 -1.400) 5.745 6.364 ( 4.018 -0.477 1.423) 4.289 6.426 ( 4.809 -6.287 2.824) 8.404 6.656 ( -3.347 18.282 -4.681) 19.166 7.032 ( -0.559 -14.278 -1.614) 14.380 7.281 ( 4.127 6.158 -3.850) 8.353 7.466 ( 2.873 -3.029 2.769) 5.009 7.622 ( -6.326 -1.172 -6.896) 9.431 7.756 ( 0.283 -9.377 0.514) 9.395 7.992 ( 4.859 -0.011 -6.485) 8.104 8.023 ( 4.684 -2.291 -9.540) 10.872 8.467 ( -10.344 1.913 3.205) 10.997 8.507 ( -10.184 -1.880 3.382) 10.895 8.772 ( -1.693 6.679 6.791) 9.675 8.881 ( -1.051 -2.988 7.478) 8.121 9.178 ( -1.702 6.015 -6.324) 8.892 9.280 ( 3.930 -4.150 -6.254) 8.472 9.521 ( -4.679 2.965 -0.926) 5.616 9.599 ( -2.036 -4.881 2.561) 5.876 9.962 ( 2.786 6.200 2.701) 7.314 10.138 ( 0.767 -9.683 3.097) 10.195 10.406 ( -0.890 7.245 -3.687) 8.177 10.540 ( -2.691 -4.960 -4.130) 6.993 10.769 ( 5.799 3.820 1.453) 7.094 10.847 ( 5.459 -4.262 2.762) 7.456 10.964 ( 0.642 14.126 5.206) 15.069 11.233 ( -0.586 -11.268 7.521) 13.560 12.375 ( -0.150 5.352 0.472) 5.375 12.525 ( 0.223 -8.368 -0.953) 8.425 13.004 ( 1.021 5.331 -0.003) 5.428 13.104 ( 0.400 -4.659 0.592) 4.713 13.872 ( 0.817 3.424 -5.706) 6.704 13.944 ( -0.170 -3.754 -3.565) 5.180 14.503 ( -2.128 1.625 -2.182) 3.454 14.543 ( -1.560 -2.376 -2.122) 3.547 14.850 ( -3.591 2.425 -5.153) 6.732 14.898 ( -4.037 -2.463 -7.027) 8.470 15.647 ( 1.835 8.664 -0.733) 8.887 15.733 ( 2.960 -2.331 1.985) 4.259 15.806 ( 5.062 9.732 4.598) 11.895 16.064 ( 3.070 -13.605 0.835) 13.972 16.897 ( -0.905 5.275 -2.331) 5.837 16.988 ( -0.325 -3.772 -0.260) 3.795 18.304 ( 0.209 1.113 -0.682) 1.322 18.321 ( 0.251 -0.165 1.019) 1.062 18.715 ( 0.486 0.589 -1.222) 1.442 18.748 ( -2.188 -2.804 -1.592) 3.897 19.372 ( 1.986 8.153 -2.003) 8.627 19.529 ( 0.773 -7.449 -1.872) 7.720 20.183 ( 1.292 8.031 -2.243) 8.438 20.335 ( 2.495 -8.228 2.898) 9.073 22.099 ( -0.475 0.665 0.870) 1.194 22.127 ( -0.632 -2.126 1.680) 2.782 22.770 ( 0.321 12.008 -0.925) 12.048 23.012 ( -0.234 -11.537 -2.572) 11.823 23.176 ( -2.103 3.789 -7.336) 8.520 23.223 ( -1.027 -0.927 -3.985) 4.218 25.496 ( -0.224 0.433 1.916) 1.977 25.508 ( -0.607 -0.669 2.598) 2.751 25.773 ( 0.154 3.144 -0.142) 3.151 25.839 ( 0.719 -3.303 0.229) 3.388 25.934 ( -2.220 2.757 4.218) 5.506 26.009 ( -0.446 -4.366 2.314) 4.961 26.480 ( 0.699 0.986 1.870) 2.227 26.510 ( 2.491 -2.260 2.298) 4.073 26.952 ( 1.352 6.807 -0.729) 6.978 27.072 ( 1.843 -5.330 -2.216) 6.059 27.472 ( -0.011 4.480 -2.985) 5.384 27.537 ( -2.049 -2.480 -0.654) 3.283 ======================= Grid point 50 (28/96) ======================= q-point: ( 0.14 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 3.191 19.201 21.372) 28.908 1.489 ( 6.356 3.070 17.836) 19.182 1.804 ( 11.100 0.069 14.261) 18.072 2.173 ( 7.338 -19.089 7.996) 21.958 2.326 ( 16.926 13.968 12.271) 25.143 2.512 ( -0.851 -0.322 3.656) 3.768 2.615 ( 1.392 -5.322 1.542) 5.713 2.934 ( 11.880 -21.686 4.560) 25.144 3.228 ( 2.081 8.769 1.467) 9.131 3.327 ( 1.179 9.977 3.518) 10.645 3.433 ( -1.943 -11.291 0.232) 11.459 3.539 ( 4.666 -3.678 3.855) 7.082 3.666 ( -3.726 1.828 5.369) 6.786 3.852 ( -4.051 -11.973 0.649) 12.657 4.150 ( -0.912 5.271 -1.018) 5.446 4.204 ( -0.383 1.612 5.136) 5.397 4.446 ( 0.506 1.790 6.472) 6.734 4.573 ( -3.384 -7.177 9.754) 12.574 4.993 ( -5.282 7.824 0.841) 9.477 5.088 ( 8.590 10.227 11.217) 17.441 5.195 ( 0.626 -1.951 4.406) 4.860 5.277 ( -1.092 13.238 2.781) 13.571 5.403 ( -3.696 -0.757 5.383) 6.574 5.569 ( -3.482 -0.614 4.899) 6.042 5.792 ( -2.639 0.318 -6.688) 7.197 5.917 ( -5.062 -7.341 -3.032) 9.419 6.174 ( -0.803 6.978 1.447) 7.172 6.280 ( 1.771 -1.930 3.393) 4.287 6.475 ( -3.667 9.790 -1.635) 10.581 6.494 ( -1.276 7.237 -2.215) 7.675 6.581 ( 6.092 -7.836 -0.434) 9.935 6.861 ( -13.411 -18.349 -2.913) 22.913 7.265 ( -5.210 8.414 -6.560) 11.873 7.364 ( -16.093 4.517 -8.639) 18.816 7.586 ( 5.005 -2.474 1.065) 5.684 7.711 ( -4.104 -11.208 -2.287) 12.153 8.022 ( -2.345 2.952 -5.815) 6.930 8.089 ( -2.510 -2.896 -7.280) 8.227 8.307 ( -0.758 0.636 3.412) 3.553 8.359 ( 2.907 -4.650 4.917) 7.365 8.788 ( 2.789 8.007 6.887) 10.924 8.934 ( 3.201 -5.325 6.350) 8.884 9.096 ( -5.438 8.207 -6.459) 11.774 9.232 ( -6.560 -4.848 -7.381) 11.001 9.565 ( 8.958 4.245 -4.142) 10.743 9.677 ( 7.845 -7.029 0.620) 10.551 10.014 ( -0.833 4.268 1.427) 4.577 10.120 ( -3.591 -5.003 0.722) 6.201 10.466 ( 7.389 0.140 -0.708) 7.424 10.499 ( 1.926 -2.715 -2.869) 4.395 10.850 ( 1.770 6.407 2.485) 7.096 10.933 ( 2.939 -1.465 6.137) 6.960 11.120 ( 10.319 8.904 4.738) 14.430 11.320 ( 6.035 -8.488 6.915) 12.501 12.404 ( 2.360 5.134 0.614) 5.683 12.547 ( 1.981 -8.055 -0.794) 8.333 13.060 ( 4.586 3.754 0.254) 5.932 13.125 ( 1.771 -2.598 0.704) 3.222 13.824 ( -3.294 2.395 -5.665) 6.977 13.877 ( -4.780 -3.187 -4.335) 7.197 14.419 ( -4.934 2.511 -2.131) 5.932 14.464 ( -5.104 -2.070 -2.517) 6.056 14.750 ( -3.581 3.104 -6.897) 8.368 14.804 ( -2.560 -2.684 -9.277) 9.991 15.722 ( 4.628 6.864 2.307) 8.594 15.806 ( 2.851 -2.448 3.394) 5.064 15.924 ( 4.960 7.795 3.899) 10.028 16.126 ( 2.531 -11.078 1.277) 11.435 16.863 ( -1.243 7.451 -1.769) 7.759 16.995 ( 0.886 -5.564 -0.345) 5.645 18.294 ( -0.920 1.353 -0.894) 1.865 18.321 ( -0.575 -0.937 0.932) 1.441 18.720 ( 0.996 1.220 -3.074) 3.454 18.763 ( 3.647 -2.907 -1.543) 4.912 19.391 ( 0.539 4.155 -1.114) 4.335 19.505 ( -2.239 -6.577 -2.225) 7.295 20.229 ( 3.755 9.927 -1.755) 10.758 20.428 ( 5.535 -11.037 2.490) 12.596 22.098 ( -0.012 0.642 1.163) 1.329 22.124 ( -0.251 -1.944 1.702) 2.596 22.747 ( -2.221 10.429 -0.632) 10.682 22.942 ( -5.474 -5.000 -3.939) 8.395 23.046 ( -7.267 1.725 -4.658) 8.802 23.124 ( -6.621 -2.735 -4.662) 8.547 25.496 ( -0.404 0.322 1.764) 1.838 25.504 ( -0.552 -0.419 2.231) 2.336 25.781 ( 0.376 3.984 -0.012) 4.002 25.852 ( -0.504 -2.546 -0.278) 2.611 25.889 ( -1.966 4.536 4.306) 6.556 25.995 ( -1.506 -5.240 2.189) 5.875 26.549 ( 4.586 2.181 2.627) 5.718 26.608 ( 4.648 -3.777 2.952) 6.677 27.005 ( 3.612 7.562 -0.267) 8.385 27.155 ( 6.405 -7.497 -1.914) 10.045 27.492 ( 2.940 0.531 -3.976) 4.973 27.510 ( 0.433 -0.872 -1.563) 1.842 ======================= Grid point 51 (29/96) ======================= q-point: ( 0.29 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 12.665 16.787 16.627) 26.808 1.733 ( 10.945 -1.221 12.993) 17.033 1.975 ( 0.241 -6.792 6.785) 9.604 2.177 ( -5.027 -15.966 -0.894) 16.762 2.542 ( 9.276 0.177 4.758) 10.427 2.686 ( 7.972 -12.569 9.664) 17.746 2.856 ( 16.216 19.659 5.736) 26.121 3.161 ( 8.066 -8.662 2.530) 12.103 3.236 ( -1.222 2.799 4.144) 5.148 3.304 ( -4.183 13.580 1.934) 14.341 3.357 ( -4.973 -8.696 2.154) 10.246 3.622 ( -1.660 -12.625 1.541) 12.827 3.672 ( 3.933 5.035 6.024) 8.781 3.781 ( -3.329 -7.984 3.202) 9.224 4.150 ( 0.887 6.191 0.244) 6.259 4.214 ( -0.051 4.879 1.426) 5.083 4.457 ( -1.156 -1.753 4.826) 5.263 4.546 ( -3.475 -6.240 10.805) 12.952 4.906 ( -3.220 9.676 2.384) 10.472 5.101 ( -5.902 -0.321 -0.563) 5.938 5.192 ( -2.845 5.360 2.743) 6.660 5.388 ( 7.552 11.393 10.868) 17.463 5.419 ( 5.404 -1.494 9.293) 10.854 5.609 ( -1.563 -4.676 6.924) 8.500 5.709 ( -2.770 -1.198 -4.645) 5.539 5.789 ( -3.519 -1.969 -1.091) 4.178 6.161 ( -5.603 10.377 2.758) 12.112 6.257 ( -4.567 -1.051 -3.055) 5.595 6.342 ( -0.245 4.984 2.629) 5.640 6.553 ( -6.859 -11.068 -5.644) 14.192 6.618 ( 5.372 -4.164 0.217) 6.800 6.685 ( 0.499 -8.669 0.871) 8.727 6.977 ( -17.888 2.304 -7.575) 19.562 7.007 ( -16.360 0.885 -8.535) 18.474 7.548 ( -2.677 10.241 -2.318) 10.836 7.761 ( 4.694 -8.199 0.350) 9.454 7.879 ( -6.203 0.905 -3.981) 7.426 7.945 ( -5.872 -6.398 -3.765) 9.465 8.471 ( 8.712 3.029 2.516) 9.561 8.540 ( 9.050 -3.694 2.450) 10.077 8.881 ( 1.850 6.100 3.528) 7.286 8.979 ( -1.059 9.035 2.936) 9.559 9.018 ( 2.004 -7.636 -0.159) 7.896 9.104 ( -2.400 -2.829 -1.136) 3.880 9.698 ( 4.757 4.485 -6.439) 9.177 9.811 ( 4.708 -5.967 -4.106) 8.639 9.960 ( -2.400 0.830 2.769) 3.757 10.040 ( -3.618 -7.245 1.858) 8.308 10.589 ( 6.780 2.876 -1.537) 7.523 10.633 ( 7.789 -1.792 -0.880) 8.041 10.876 ( 0.410 6.735 1.272) 6.866 10.995 ( 1.162 -4.414 3.901) 6.004 11.326 ( 7.986 8.604 3.818) 12.344 11.473 ( 6.449 -4.558 4.554) 9.116 12.453 ( 2.167 4.004 0.823) 4.626 12.583 ( 1.674 -8.155 -0.172) 8.327 13.170 ( 6.145 1.632 -0.982) 6.434 13.187 ( 4.433 0.394 -0.103) 4.452 13.722 ( -4.597 1.292 -5.415) 7.220 13.752 ( -5.788 -1.957 -4.305) 7.474 14.314 ( -4.625 2.759 -1.591) 5.616 14.348 ( -5.202 -0.755 -2.398) 5.777 14.684 ( -0.782 3.563 -4.266) 5.613 14.743 ( -0.443 -2.658 -5.591) 6.207 15.805 ( 2.496 3.039 1.696) 4.283 15.853 ( 0.730 -1.902 2.345) 3.106 16.014 ( 3.001 5.963 0.816) 6.725 16.160 ( 0.743 -8.239 -0.646) 8.298 16.847 ( -0.048 8.823 -0.370) 8.831 17.013 ( 1.066 -7.493 -0.323) 7.575 18.267 ( -1.167 1.715 -1.385) 2.494 18.306 ( -1.150 -1.770 0.693) 2.222 18.753 ( 2.858 4.368 -1.684) 5.484 18.834 ( 3.987 -3.580 -2.100) 5.755 19.391 ( -0.088 -0.417 -0.989) 1.077 19.439 ( -3.183 -4.641 -2.523) 6.167 20.299 ( 3.841 12.294 -2.443) 13.110 20.541 ( 4.675 -12.486 0.099) 13.333 22.106 ( 0.321 0.478 1.717) 1.811 22.129 ( 0.123 -1.711 2.081) 2.697 22.696 ( -2.222 8.079 0.241) 8.382 22.815 ( -5.004 5.553 -3.591) 8.293 22.893 ( -6.994 -6.158 -1.343) 9.415 22.973 ( -6.290 -4.853 -3.807) 8.809 25.495 ( -0.308 0.331 1.291) 1.367 25.502 ( -0.431 -0.343 1.698) 1.785 25.780 ( -0.479 4.355 0.071) 4.381 25.820 ( -1.734 1.874 0.740) 2.659 25.896 ( 0.077 0.698 2.912) 2.996 25.979 ( -0.876 -5.145 2.227) 5.674 26.646 ( 3.835 1.765 2.758) 5.043 26.685 ( 2.178 -1.990 2.529) 3.886 27.067 ( 2.500 9.821 -0.804) 10.166 27.255 ( 3.855 -7.931 -2.097) 9.065 27.501 ( 0.974 2.773 -1.901) 3.501 27.598 ( 7.060 -7.890 -4.689) 11.580 ======================= Grid point 52 (30/96) ======================= q-point: ( 0.43 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 6.524 10.353 7.577) 14.393 1.810 ( -4.787 10.268 4.364) 12.141 2.013 ( -6.091 -16.867 -1.167) 17.971 2.076 ( 5.458 -15.712 8.502) 18.680 2.660 ( -2.162 0.895 -2.948) 3.763 2.812 ( -0.875 -8.095 3.251) 8.767 3.071 ( 6.726 10.583 4.279) 13.249 3.161 ( -5.143 5.738 0.724) 7.739 3.242 ( -1.546 4.491 4.996) 6.893 3.245 ( -2.405 0.786 -1.474) 2.929 3.381 ( 5.046 -5.988 7.019) 10.516 3.574 ( -3.829 -13.219 8.461) 16.155 3.745 ( 2.222 5.090 4.167) 6.943 3.785 ( 3.106 1.628 5.524) 6.543 4.173 ( 0.614 5.898 0.212) 5.934 4.185 ( -2.113 0.538 -1.055) 2.422 4.451 ( -1.012 -2.524 2.081) 3.424 4.524 ( -2.339 -4.769 8.055) 9.649 4.899 ( 0.481 2.848 5.418) 6.140 4.984 ( -5.607 -6.231 3.595) 9.121 5.189 ( 2.467 15.715 0.038) 15.907 5.426 ( -5.330 2.885 2.021) 6.389 5.511 ( -5.199 4.644 0.644) 7.001 5.606 ( 2.369 -5.622 6.508) 8.920 5.635 ( -4.193 2.413 -3.124) 5.759 5.734 ( -4.941 -0.334 -0.108) 4.954 6.056 ( -1.969 7.823 -0.619) 8.090 6.211 ( -3.533 -7.662 2.382) 8.767 6.363 ( 4.086 -0.816 1.838) 4.554 6.425 ( -2.180 -7.546 -8.165) 11.330 6.646 ( -2.551 2.291 -3.361) 4.801 6.744 ( -4.015 -0.367 -2.010) 4.505 6.753 ( 5.065 -2.690 6.125) 8.391 6.832 ( 4.530 -7.472 8.747) 12.363 7.529 ( 0.608 16.291 0.603) 16.313 7.768 ( -2.028 3.211 -4.703) 6.045 7.829 ( 0.271 -3.951 -2.598) 4.737 7.875 ( 0.147 -14.228 0.278) 14.232 8.506 ( -3.603 5.069 -8.612) 10.622 8.598 ( -2.340 -3.845 -7.726) 8.942 8.952 ( 3.114 6.045 6.260) 9.243 9.026 ( 3.877 4.633 2.189) 6.425 9.068 ( 2.163 -1.794 11.499) 11.838 9.152 ( 3.933 -4.820 5.922) 8.589 9.709 ( 1.060 3.488 -4.688) 5.938 9.826 ( 0.599 -5.936 -2.598) 6.507 9.981 ( 1.357 -0.911 2.190) 2.732 10.027 ( 0.179 -6.156 3.240) 6.959 10.678 ( 2.257 4.427 -2.378) 5.509 10.716 ( 0.491 0.787 -1.995) 2.200 10.888 ( 0.949 3.698 -1.744) 4.198 11.002 ( -1.377 -5.765 1.239) 6.055 11.423 ( 0.734 9.586 0.489) 9.626 11.570 ( 1.539 -3.805 1.897) 4.522 12.492 ( 1.369 3.220 1.822) 3.944 12.613 ( 1.189 -8.154 1.674) 8.409 13.261 ( 3.133 1.247 -3.334) 4.742 13.274 ( 3.371 -0.093 -1.726) 3.788 13.623 ( -3.069 1.644 -6.275) 7.176 13.642 ( -2.874 -0.708 -4.010) 4.984 14.250 ( -1.010 3.183 -0.147) 3.342 14.281 ( -0.405 -0.371 0.023) 0.550 14.690 ( 2.182 4.435 -0.190) 4.946 14.762 ( 3.397 -2.854 0.493) 4.464 15.824 ( -0.639 0.813 -0.664) 1.229 15.848 ( -1.674 -1.474 -0.081) 2.232 16.032 ( -0.905 4.478 -3.034) 5.485 16.147 ( -1.277 -6.979 -3.568) 7.942 16.854 ( 0.535 9.480 0.762) 9.525 17.032 ( 0.801 -7.976 -0.188) 8.018 18.246 ( -0.284 1.694 -1.599) 2.347 18.285 ( -1.131 -1.823 0.287) 2.164 18.805 ( 2.478 4.821 0.127) 5.422 18.897 ( 2.764 -4.374 -1.076) 5.284 19.377 ( -1.218 -1.875 -2.096) 3.064 19.385 ( -0.652 -3.163 -2.027) 3.813 20.348 ( 1.965 12.984 -3.429) 13.573 20.582 ( -0.368 -10.715 -2.986) 11.130 22.121 ( 0.372 0.487 2.417) 2.493 22.147 ( 0.662 -1.792 3.093) 3.636 22.679 ( -1.104 3.398 -0.602) 3.624 22.721 ( -1.708 9.718 -0.827) 9.901 22.798 ( -2.271 -7.334 -0.744) 7.714 22.885 ( -0.818 -5.959 -1.699) 6.250 25.493 ( -0.338 0.292 0.928) 1.030 25.499 ( -0.460 -0.251 1.135) 1.250 25.770 ( -0.409 4.101 0.247) 4.129 25.799 ( -0.670 1.613 0.536) 1.827 25.901 ( -0.573 0.982 2.523) 2.768 25.975 ( -0.500 -4.710 2.184) 5.216 26.704 ( 0.651 0.541 2.166) 2.325 26.714 ( 0.266 -0.415 2.604) 2.650 27.091 ( 0.518 10.657 -1.597) 10.789 27.288 ( 0.706 -8.205 -2.936) 8.743 27.523 ( 1.538 6.480 -1.412) 6.808 27.703 ( 4.669 -12.591 -4.171) 14.062 ======================= Grid point 53 (31/96) ======================= q-point: (-0.43 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -16.149 8.702 -0.040) 18.344 1.749 ( -14.597 -3.306 -2.423) 15.162 1.934 ( -0.375 -1.726 4.533) 4.865 2.211 ( 0.036 -19.082 5.070) 19.744 2.491 ( -8.279 5.990 -3.478) 10.795 2.703 ( -7.749 -10.559 2.149) 13.273 3.013 ( -10.599 6.466 -4.545) 13.221 3.087 ( -3.580 -3.388 -3.211) 5.882 3.252 ( 0.299 9.236 5.838) 10.930 3.295 ( 6.199 4.480 3.762) 8.524 3.437 ( -1.327 -0.885 0.525) 1.679 3.548 ( -3.084 -8.343 12.619) 15.439 3.841 ( -1.247 1.388 6.609) 6.867 3.879 ( 5.257 0.214 11.659) 12.791 4.129 ( 1.361 8.791 -2.761) 9.314 4.214 ( -0.010 7.146 2.227) 7.485 4.432 ( -1.024 -7.159 3.078) 7.859 4.481 ( -4.349 -9.690 2.000) 10.808 4.909 ( 0.901 3.435 7.020) 7.867 5.010 ( 5.162 -6.547 5.093) 9.770 5.218 ( -1.919 9.505 -0.455) 9.708 5.278 ( -13.924 5.638 -4.713) 15.744 5.374 ( -5.239 3.930 -1.810) 6.795 5.397 ( -6.380 -1.907 0.137) 6.661 5.651 ( 1.024 1.006 -3.978) 4.229 5.747 ( 6.038 -6.375 1.519) 8.911 6.051 ( 0.544 8.505 -1.722) 8.695 6.154 ( -1.018 -1.696 -1.012) 2.222 6.378 ( -0.865 -4.003 -0.979) 4.211 6.449 ( 2.558 -7.919 -0.970) 8.379 6.697 ( 5.267 6.821 2.498) 8.973 6.865 ( 4.313 -7.382 6.115) 10.511 6.933 ( 13.771 1.637 7.460) 15.747 6.994 ( 10.980 -2.173 8.329) 13.952 7.554 ( 0.887 11.515 0.030) 11.549 7.711 ( -2.312 2.235 -4.076) 5.192 7.849 ( 4.319 -2.628 -0.430) 5.074 7.946 ( 6.280 -11.624 3.891) 13.773 8.364 ( -5.661 5.903 -10.237) 13.103 8.469 ( -6.166 -4.311 -10.735) 13.110 8.931 ( -4.626 8.441 4.081) 10.455 9.109 ( -3.142 -6.977 10.578) 13.055 9.169 ( 5.715 3.115 6.892) 9.480 9.256 ( 3.945 -3.700 7.438) 9.196 9.789 ( 7.796 3.357 -0.406) 8.498 9.861 ( 3.079 -1.508 -0.880) 3.540 9.972 ( -3.136 -2.079 1.352) 3.998 10.020 ( -2.405 -6.001 3.118) 7.178 10.651 ( -3.905 2.566 -4.404) 6.421 10.666 ( -3.047 2.152 -2.746) 4.632 10.873 ( -2.140 1.678 -3.629) 4.534 10.948 ( -4.475 -4.148 -0.607) 6.132 11.363 ( -5.966 10.445 -2.246) 12.237 11.539 ( -4.778 -5.667 0.792) 7.455 12.515 ( -0.180 3.431 2.628) 4.326 12.637 ( 0.057 -7.912 2.217) 8.217 13.226 ( -4.830 1.441 -4.342) 6.653 13.256 ( -4.356 -1.773 -3.143) 5.657 13.599 ( 4.088 3.957 -6.188) 8.406 13.661 ( 5.705 -2.221 -3.419) 7.012 14.283 ( 3.755 4.120 1.784) 5.854 14.332 ( 4.510 -1.510 1.988) 5.155 14.765 ( 4.569 6.433 3.445) 8.610 14.867 ( 5.826 -3.564 4.094) 7.963 15.782 ( -2.965 -0.023 -2.834) 4.102 15.793 ( -3.033 -0.801 -2.690) 4.132 15.959 ( -4.657 4.998 -5.675) 8.881 16.092 ( -2.361 -8.224 -5.768) 10.319 16.869 ( 0.612 9.388 0.902) 9.451 17.040 ( 0.082 -7.594 -0.176) 7.596 18.248 ( 1.043 1.042 -1.386) 2.023 18.270 ( -0.250 -1.180 -0.107) 1.211 18.840 ( 0.624 3.399 1.284) 3.687 18.920 ( -0.411 -4.478 -0.116) 4.498 19.359 ( -0.359 -1.138 -2.806) 3.050 19.378 ( 1.411 -2.840 -2.200) 3.860 20.345 ( -0.828 10.230 -4.276) 11.118 20.506 ( -5.415 -6.323 -4.351) 9.393 22.132 ( -0.291 0.688 2.472) 2.582 22.167 ( -0.237 -2.433 3.761) 4.485 22.631 ( -0.403 7.070 -1.408) 7.221 22.785 ( 1.634 -5.314 -1.052) 5.659 22.802 ( 7.214 3.577 1.310) 8.158 22.932 ( 5.190 -5.571 -0.148) 7.615 25.489 ( -0.333 0.230 0.971) 1.052 25.494 ( -0.312 -0.165 0.759) 0.837 25.769 ( 0.319 3.454 0.052) 3.469 25.798 ( 0.471 1.227 0.532) 1.418 25.893 ( -1.139 1.755 2.487) 3.250 25.974 ( -0.391 -4.711 2.163) 5.198 26.683 ( -2.944 1.391 1.550) 3.606 26.714 ( -1.798 -1.642 2.273) 3.331 27.077 ( -1.235 10.132 -2.172) 10.435 27.267 ( -1.642 -8.200 -3.905) 9.229 27.539 ( 0.334 7.396 -0.950) 7.464 27.736 ( 0.002 -13.559 -3.096) 13.908 ======================= Grid point 54 (32/96) ======================= q-point: (-0.29 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -16.136 15.580 3.338) 22.677 1.429 ( -15.650 5.700 0.765) 16.673 1.806 ( -11.596 -10.733 0.916) 15.827 2.060 ( -10.199 -24.546 -3.197) 26.773 2.466 ( 0.337 6.155 6.852) 9.217 2.604 ( -6.767 -2.813 7.368) 10.392 2.746 ( -11.371 8.753 -0.960) 14.382 2.983 ( -7.013 -11.117 -4.259) 13.817 3.242 ( -3.179 13.226 -0.157) 13.603 3.342 ( -2.759 6.629 2.377) 7.564 3.448 ( 3.308 -7.695 3.318) 9.010 3.557 ( 0.603 -8.268 4.784) 9.571 3.755 ( -9.122 0.660 6.300) 11.105 3.908 ( -3.042 -12.008 7.368) 14.413 4.191 ( -0.880 9.404 2.985) 9.906 4.263 ( 6.000 11.360 8.053) 15.163 4.380 ( -4.385 -7.167 0.419) 8.412 4.460 ( 1.785 -4.849 5.138) 7.287 4.951 ( -9.012 7.104 -6.193) 13.040 5.045 ( 5.262 0.754 3.565) 6.400 5.132 ( 1.294 4.176 -1.891) 4.763 5.212 ( -1.865 3.822 3.696) 5.635 5.255 ( 4.583 -0.616 8.399) 9.587 5.396 ( -0.697 -5.923 -1.806) 6.231 5.760 ( 10.150 5.241 -1.237) 11.490 5.886 ( 5.916 -9.032 0.188) 10.798 6.060 ( 1.127 8.853 -0.819) 8.962 6.157 ( 1.866 1.664 -1.881) 3.129 6.385 ( 2.871 0.528 0.314) 2.936 6.529 ( 4.944 -6.886 -1.071) 8.545 6.747 ( 0.008 1.280 1.371) 1.876 6.837 ( -5.993 -5.471 3.263) 8.746 7.188 ( 7.193 10.783 -3.373) 13.394 7.324 ( 16.870 3.236 6.244) 18.277 7.567 ( 0.783 -1.120 -0.141) 1.374 7.636 ( -2.239 -10.082 -3.287) 10.838 8.046 ( 9.724 0.933 2.075) 9.986 8.070 ( 4.038 -0.267 -1.983) 4.507 8.278 ( -0.589 1.402 -1.839) 2.386 8.346 ( 1.813 -3.677 -0.853) 4.188 8.839 ( -6.029 9.425 4.742) 12.152 9.047 ( -6.128 -10.314 9.050) 15.028 9.251 ( 0.162 4.742 5.015) 6.904 9.356 ( 3.941 -5.294 5.372) 8.510 9.792 ( -7.832 4.634 -2.264) 9.377 9.855 ( -9.192 -1.173 0.988) 9.319 9.998 ( 7.205 -1.889 -0.509) 7.466 10.018 ( 2.869 -3.300 3.255) 5.451 10.544 ( -4.663 2.490 -3.702) 6.454 10.593 ( -2.709 -1.664 -1.594) 3.557 10.779 ( -5.292 2.366 -5.493) 7.986 10.832 ( -6.000 -2.071 -1.459) 6.513 11.205 ( -8.660 10.661 -1.962) 13.874 11.416 ( -7.634 -8.468 2.412) 11.654 12.489 ( -3.422 4.092 1.716) 5.604 12.614 ( -2.761 -7.175 0.327) 7.695 13.106 ( -5.167 1.223 -3.071) 6.134 13.146 ( -4.028 -2.438 -2.136) 5.170 13.707 ( 7.840 4.720 -5.243) 10.547 13.789 ( 7.559 -3.401 -2.830) 8.759 14.389 ( 5.743 3.395 2.166) 7.014 14.440 ( 5.284 -2.347 1.741) 6.038 14.867 ( 3.645 7.186 3.557) 8.808 14.983 ( 3.518 -4.270 3.586) 6.593 15.704 ( -2.940 1.416 -2.897) 4.364 15.727 ( -2.295 -0.795 -3.740) 4.459 15.829 ( -5.820 8.058 -6.135) 11.681 16.031 ( -1.307 -11.379 -5.442) 12.681 16.884 ( 0.846 8.129 0.182) 8.174 17.033 ( -0.727 -6.871 -0.287) 6.915 18.271 ( 1.393 0.445 -1.060) 1.806 18.278 ( 1.146 -0.334 0.050) 1.195 18.828 ( -2.452 1.811 0.144) 3.052 18.881 ( -3.322 -3.124 0.800) 4.630 19.338 ( -0.148 3.172 -3.650) 4.838 19.426 ( 3.724 -5.303 -2.129) 6.820 20.287 ( -3.218 6.747 -5.509) 9.286 20.381 ( -5.080 -3.424 -1.449) 6.295 22.126 ( -1.024 0.560 1.646) 2.018 22.159 ( -1.631 -2.590 2.987) 4.276 22.667 ( 3.801 10.243 -0.729) 10.950 22.858 ( 5.851 -5.958 -1.002) 8.410 22.973 ( 9.296 1.890 0.430) 9.496 23.059 ( 7.393 -3.952 -0.532) 8.400 25.488 ( -0.173 0.322 1.152) 1.209 25.495 ( 0.075 -0.292 1.246) 1.282 25.778 ( 0.411 2.785 -0.370) 2.839 25.821 ( 1.594 -0.476 0.074) 1.665 25.879 ( -1.009 3.506 3.713) 5.206 25.979 ( 0.170 -5.004 2.305) 5.512 26.608 ( -4.970 1.778 1.108) 5.394 26.656 ( -4.694 -3.114 1.197) 5.758 27.029 ( -2.715 8.660 -2.304) 9.364 27.197 ( -3.846 -7.809 -4.566) 9.829 27.529 ( -0.902 6.141 -1.078) 6.300 27.685 ( -3.898 -10.792 -1.925) 11.635 ======================= Grid point 55 (33/96) ======================= q-point: (-0.14 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -3.671 24.254 10.669) 26.750 1.250 ( -1.861 18.869 12.062) 22.472 1.592 ( -11.023 -14.343 8.949) 20.182 1.951 ( -0.134 -30.691 2.366) 30.782 2.212 ( -20.708 27.239 6.896) 34.905 2.589 ( 0.702 -3.759 7.805) 8.691 2.696 ( -1.548 -5.655 4.409) 7.335 2.802 ( -7.493 -21.196 -0.621) 22.490 3.170 ( -2.399 10.830 -2.418) 11.353 3.285 ( -3.559 5.630 0.579) 6.686 3.478 ( -2.553 -12.648 0.220) 12.905 3.538 ( -1.663 -13.193 0.622) 13.312 3.683 ( 0.415 8.566 8.367) 11.981 3.899 ( -0.084 -11.184 3.115) 11.610 4.187 ( -0.875 7.975 4.463) 9.181 4.285 ( -4.962 -2.793 2.121) 6.077 4.365 ( 1.122 7.709 7.609) 10.890 4.558 ( 3.331 -7.365 10.816) 13.503 4.802 ( -2.746 17.324 -1.289) 17.588 5.101 ( 1.425 -6.982 -1.894) 7.373 5.151 ( -0.985 6.749 -0.030) 6.820 5.219 ( 0.319 -3.421 5.348) 6.357 5.408 ( 6.755 7.722 4.270) 11.113 5.484 ( 7.560 1.641 4.813) 9.111 5.895 ( 2.418 -0.625 -2.097) 3.261 5.949 ( 1.396 -3.656 -3.062) 4.969 6.138 ( 7.835 2.269 1.081) 8.228 6.215 ( 4.738 0.175 1.115) 4.871 6.475 ( 1.432 3.549 -0.423) 3.850 6.482 ( -8.506 3.119 -1.391) 9.166 6.681 ( -3.585 5.987 0.017) 6.978 6.908 ( 10.761 -13.172 -0.078) 17.009 7.218 ( 1.871 10.551 -6.873) 12.731 7.491 ( -4.428 -4.841 -0.055) 6.560 7.610 ( 9.161 -2.762 -2.338) 9.850 7.705 ( 4.950 -5.789 2.622) 8.055 7.992 ( -2.146 1.361 -10.530) 10.833 8.061 ( -4.316 -5.582 -9.419) 11.768 8.467 ( 11.385 3.279 9.717) 15.322 8.522 ( 6.341 -1.745 8.712) 10.916 8.747 ( -4.034 9.671 6.685) 12.430 8.947 ( -6.936 -9.110 8.972) 14.546 9.225 ( -2.838 7.232 -1.515) 7.915 9.373 ( -5.344 -7.452 -4.693) 10.301 9.630 ( -6.134 2.809 1.213) 6.855 9.667 ( -7.189 -0.659 2.631) 7.683 9.979 ( -3.939 4.172 -1.138) 5.850 10.120 ( 1.332 -8.194 1.897) 8.516 10.462 ( -2.726 6.236 -2.254) 7.169 10.579 ( 0.470 -3.988 -1.266) 4.211 10.686 ( 0.123 3.948 -3.494) 5.273 10.760 ( 0.433 -3.271 -0.454) 3.331 11.039 ( -7.473 11.523 1.086) 13.777 11.286 ( -6.489 -10.731 5.360) 13.638 12.414 ( -3.720 4.889 0.427) 6.158 12.554 ( -2.609 -7.738 -0.988) 8.226 13.021 ( -2.483 3.731 -1.179) 4.634 13.103 ( -0.556 -4.290 -0.162) 4.329 13.827 ( 5.687 4.247 -5.301) 8.858 13.907 ( 4.973 -3.666 -2.913) 6.831 14.492 ( 3.510 1.768 0.435) 3.954 14.530 ( 3.122 -2.290 -0.218) 3.878 14.904 ( -0.577 4.934 -0.558) 4.999 14.994 ( -2.878 -4.104 -1.507) 5.234 15.663 ( -1.400 2.790 -3.371) 4.594 15.696 ( 0.600 -0.570 -0.977) 1.281 15.734 ( -0.492 12.608 -0.615) 12.632 16.017 ( 1.480 -14.021 -2.212) 14.271 16.901 ( 0.868 5.957 -1.049) 6.111 17.010 ( -1.384 -5.277 -0.485) 5.477 18.292 ( 1.120 0.790 -0.665) 1.524 18.304 ( 1.123 -0.079 0.432) 1.205 18.755 ( -3.746 2.433 -1.084) 4.596 18.813 ( -3.743 -3.530 0.472) 5.167 19.340 ( 1.792 7.954 -3.349) 8.815 19.492 ( 3.388 -7.234 -1.893) 8.209 20.205 ( -2.370 6.825 -4.272) 8.393 20.318 ( -1.515 -5.299 1.530) 5.719 22.110 ( -0.978 0.561 0.970) 1.487 22.138 ( -1.255 -2.279 2.085) 3.334 22.739 ( 3.133 11.887 -0.792) 12.318 22.971 ( 5.031 -10.255 -1.758) 11.557 23.139 ( 7.268 2.954 -3.414) 8.556 23.187 ( 5.302 -1.411 -2.012) 5.843 25.492 ( 0.000 0.502 1.573) 1.652 25.504 ( 0.085 -0.634 2.210) 2.300 25.778 ( -0.267 2.608 -0.419) 2.654 25.835 ( -0.038 -2.986 -0.654) 3.057 25.908 ( 1.951 3.860 5.463) 6.968 25.997 ( 0.653 -4.756 2.465) 5.396 26.515 ( -4.255 0.958 1.176) 4.517 26.548 ( -5.727 -2.774 0.220) 6.367 26.968 ( -2.252 7.253 -1.758) 7.795 27.103 ( -3.359 -6.270 -3.690) 8.013 27.499 ( -1.383 5.116 -1.976) 5.656 27.597 ( -3.950 -5.382 -0.702) 6.713 ======================= Grid point 70 (34/96) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 1.498 0.000 24.881) 24.926 1.080 ( 0.606 0.000 25.252) 25.259 1.820 ( 14.078 0.000 35.745) 38.417 2.405 ( -1.285 0.000 11.906) 11.975 2.603 ( 0.177 0.000 -1.514) 1.525 2.841 ( 6.287 0.000 1.047) 6.374 3.081 ( -9.106 0.000 -2.729) 9.506 3.258 ( 3.734 0.000 -4.842) 6.115 3.284 ( 2.538 0.000 -4.403) 5.082 3.423 ( 5.252 0.000 1.756) 5.537 3.461 ( -12.295 0.000 6.805) 14.052 3.725 ( 8.041 0.000 2.460) 8.409 3.736 ( -4.139 0.000 -0.569) 4.178 3.937 ( -0.055 0.000 -0.102) 0.116 4.154 ( -12.565 0.000 18.473) 22.341 4.375 ( -8.064 0.000 4.786) 9.378 4.419 ( 5.903 0.000 2.066) 6.255 4.703 ( 17.122 0.000 8.092) 18.938 4.876 ( -1.577 0.000 -0.200) 1.589 5.010 ( 4.595 0.000 15.379) 16.051 5.093 ( 1.341 0.000 -2.959) 3.249 5.165 ( -14.067 0.000 0.042) 14.067 5.386 ( 5.018 0.000 0.663) 5.062 5.609 ( -11.191 0.000 24.517) 26.950 5.857 ( 2.312 0.000 12.236) 12.452 5.895 ( -3.121 0.000 -4.935) 5.839 6.166 ( -5.728 0.000 -5.025) 7.620 6.250 ( -2.110 0.000 -0.568) 2.185 6.320 ( 7.779 0.000 4.721) 9.100 6.404 ( 6.081 0.000 2.619) 6.622 6.823 ( 8.070 0.000 6.743) 10.516 7.095 ( -2.456 0.000 -4.231) 4.892 7.158 ( 2.227 0.000 -3.698) 4.317 7.460 ( -0.566 0.000 -5.449) 5.478 7.556 ( -4.256 0.000 -11.214) 11.994 7.914 ( 11.369 0.000 -5.207) 12.505 7.981 ( -3.109 0.000 -5.778) 6.562 8.184 ( -4.207 0.000 0.710) 4.267 8.502 ( -0.936 0.000 0.145) 0.947 8.609 ( -1.094 0.000 0.250) 1.123 8.676 ( -9.048 0.000 6.257) 11.001 8.935 ( -2.627 0.000 -3.927) 4.724 8.937 ( -5.763 0.000 10.347) 11.843 9.211 ( 4.535 0.000 -5.792) 7.356 9.306 ( -14.077 0.000 -10.688) 17.674 9.809 ( 6.742 0.000 6.248) 9.192 10.075 ( -4.065 0.000 0.319) 4.077 10.110 ( 2.226 0.000 -2.716) 3.511 10.376 ( 1.716 0.000 -5.749) 5.999 10.384 ( 5.616 0.000 8.150) 9.898 10.616 ( 0.789 0.000 -7.496) 7.537 10.907 ( 8.801 0.000 11.841) 14.754 11.071 ( -0.136 0.000 -1.287) 1.294 11.670 ( -4.436 0.000 15.724) 16.338 12.578 ( -4.694 0.000 2.431) 5.287 12.579 ( 3.364 0.000 -6.988) 7.756 12.836 ( 1.121 0.000 -1.122) 1.586 13.283 ( -0.920 0.000 4.318) 4.415 13.489 ( 4.844 0.000 -12.996) 13.869 14.002 ( -0.202 0.000 -2.176) 2.185 14.432 ( -4.271 0.000 -3.429) 5.477 14.465 ( -0.755 0.000 -11.021) 11.047 14.730 ( -8.151 0.000 -3.202) 8.757 14.826 ( -4.112 0.000 -7.382) 8.450 15.334 ( 4.931 0.000 5.855) 7.655 15.782 ( 5.312 0.000 4.100) 6.711 15.865 ( 3.451 0.000 3.901) 5.208 16.321 ( 1.006 0.000 -1.086) 1.480 16.642 ( 0.322 0.000 -0.440) 0.545 17.069 ( -1.004 0.000 -0.902) 1.350 18.242 ( 1.040 0.000 -1.180) 1.573 18.353 ( 0.618 0.000 3.971) 4.018 18.767 ( -6.475 0.000 -5.287) 8.359 18.784 ( -1.389 0.000 -5.086) 5.273 19.054 ( 18.989 0.000 -0.518) 18.996 19.610 ( -1.211 0.000 -2.991) 3.227 19.880 ( 0.238 0.000 3.431) 3.439 20.669 ( 6.546 0.000 -11.385) 13.133 22.233 ( -1.179 0.000 1.845) 2.189 22.235 ( 2.266 0.000 3.964) 4.566 22.442 ( -0.092 0.000 0.633) 0.640 22.553 ( -4.234 0.000 -0.812) 4.311 23.180 ( -2.303 0.000 -2.001) 3.051 23.267 ( -0.672 0.000 -3.569) 3.632 25.522 ( -0.079 0.000 1.676) 1.678 25.528 ( 0.067 0.000 1.705) 1.706 25.764 ( -0.821 0.000 1.451) 1.668 25.902 ( 0.339 0.000 -1.520) 1.557 26.136 ( 0.641 0.000 1.134) 1.302 26.173 ( -18.925 0.000 0.911) 18.947 26.520 ( -0.214 0.000 3.353) 3.359 26.743 ( -0.545 0.000 3.383) 3.427 26.818 ( 26.078 0.000 -1.077) 26.100 26.924 ( -1.679 0.000 6.869) 7.071 27.199 ( 0.403 0.000 -2.547) 2.578 27.566 ( -2.955 0.000 -2.766) 4.047 ======================= Grid point 71 (35/96) ======================= q-point: ( 0.14 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 15.527 0.000 22.253) 27.134 1.291 ( 12.020 0.000 18.409) 21.986 2.229 ( 11.201 0.000 19.899) 22.835 2.583 ( 14.478 0.000 18.702) 23.651 2.592 ( -0.555 0.000 -0.978) 1.125 2.861 ( -9.766 0.000 -5.978) 11.451 2.962 ( 4.795 0.000 1.041) 4.907 3.196 ( -3.816 0.000 0.271) 3.825 3.282 ( -0.042 0.000 -2.316) 2.316 3.475 ( 2.610 0.000 8.957) 9.329 3.516 ( 2.802 0.000 0.775) 2.907 3.672 ( -1.654 0.000 -1.530) 2.253 3.768 ( -4.994 0.000 -4.833) 6.949 3.948 ( 0.315 0.000 2.361) 2.382 4.038 ( -4.672 0.000 16.450) 17.101 4.149 ( -11.801 0.000 4.202) 12.527 4.535 ( 5.966 0.000 3.225) 6.782 4.791 ( -10.700 0.000 0.567) 10.715 4.907 ( 4.887 0.000 3.991) 6.309 5.003 ( 2.947 0.000 1.890) 3.502 5.226 ( 9.955 0.000 1.180) 10.025 5.333 ( -8.848 0.000 -9.129) 12.713 5.375 ( 16.276 0.000 23.209) 28.347 5.489 ( -7.050 0.000 24.758) 25.743 5.864 ( -6.160 0.000 8.470) 10.474 5.901 ( 2.074 0.000 1.759) 2.720 5.941 ( -10.809 0.000 -7.746) 13.298 6.269 ( 4.118 0.000 1.464) 4.370 6.453 ( -0.556 0.000 0.618) 0.831 6.572 ( 12.197 0.000 7.046) 14.086 6.870 ( -6.733 0.000 3.658) 7.663 6.996 ( -6.126 0.000 -3.765) 7.190 7.092 ( -5.550 0.000 -3.338) 6.476 7.371 ( -10.843 0.000 -10.167) 14.864 7.379 ( -5.812 0.000 -2.251) 6.233 7.829 ( -5.230 0.000 -2.907) 5.984 8.009 ( -11.966 0.000 -6.583) 13.658 8.040 ( 1.489 0.000 -3.072) 3.414 8.549 ( 6.335 0.000 3.849) 7.412 8.641 ( 0.480 0.000 8.287) 8.301 8.654 ( 5.374 0.000 1.387) 5.550 8.888 ( -2.426 0.000 -10.039) 10.328 8.898 ( -3.585 0.000 10.194) 10.806 9.067 ( -2.102 0.000 -13.247) 13.413 9.358 ( 10.643 0.000 -4.092) 11.403 9.981 ( 3.216 0.000 0.019) 3.216 10.072 ( 7.983 0.000 3.499) 8.716 10.103 ( -1.307 0.000 -3.649) 3.876 10.436 ( 5.770 0.000 -6.401) 8.618 10.506 ( 2.725 0.000 9.130) 9.528 10.641 ( 4.243 0.000 -5.986) 7.337 11.069 ( 0.590 0.000 -3.092) 3.148 11.121 ( 8.218 0.000 13.943) 16.184 11.626 ( -5.237 0.000 13.746) 14.710 12.541 ( -0.387 0.000 4.747) 4.763 12.614 ( 3.985 0.000 -7.909) 8.856 12.924 ( 6.976 0.000 -1.883) 7.226 13.249 ( -3.911 0.000 5.151) 6.468 13.507 ( 1.568 0.000 -12.647) 12.744 13.932 ( -5.697 0.000 -3.624) 6.752 14.309 ( -6.148 0.000 -3.201) 6.931 14.427 ( 1.015 0.000 -9.147) 9.203 14.529 ( -9.568 0.000 -1.721) 9.721 14.748 ( -1.420 0.000 -4.021) 4.264 15.538 ( 11.203 0.000 4.327) 12.010 15.875 ( 2.858 0.000 1.149) 3.081 15.933 ( 1.841 0.000 3.761) 4.187 16.316 ( -0.716 0.000 -2.371) 2.476 16.649 ( 0.403 0.000 -0.095) 0.414 17.087 ( 2.105 0.000 -1.424) 2.542 18.239 ( -0.983 0.000 -0.818) 1.279 18.363 ( -0.838 0.000 3.463) 3.563 18.650 ( -2.676 0.000 -3.157) 4.138 18.789 ( 3.627 0.000 -2.963) 4.683 19.342 ( 11.285 0.000 -10.299) 15.279 19.553 ( -3.119 0.000 -4.030) 5.096 19.888 ( -0.599 0.000 3.439) 3.491 20.737 ( 5.079 0.000 -14.626) 15.483 22.217 ( -1.043 0.000 1.532) 1.853 22.251 ( -2.127 0.000 4.680) 5.140 22.438 ( -0.471 0.000 0.968) 1.077 22.522 ( 1.247 0.000 0.751) 1.456 23.094 ( -5.186 0.000 -1.888) 5.519 23.202 ( -4.382 0.000 -2.979) 5.299 25.526 ( -0.144 0.000 1.892) 1.898 25.530 ( -0.462 0.000 1.568) 1.635 25.754 ( -0.607 0.000 1.001) 1.171 25.836 ( -6.562 0.000 4.679) 8.060 25.990 ( -2.116 0.000 2.472) 3.254 26.135 ( -1.142 0.000 1.703) 2.051 26.569 ( 3.741 0.000 2.796) 4.671 26.755 ( 0.409 0.000 3.404) 3.429 26.917 ( -1.604 0.000 6.792) 6.979 27.208 ( 3.808 0.000 -4.669) 6.025 27.314 ( 22.127 0.000 -11.405) 24.893 27.512 ( -1.671 0.000 -1.621) 2.328 ======================= Grid point 72 (36/96) ======================= q-point: ( 0.29 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 12.994 0.000 13.893) 19.023 1.668 ( 18.415 0.000 17.187) 25.190 2.373 ( 0.645 0.000 5.415) 5.453 2.573 ( -1.664 0.000 0.451) 1.724 2.693 ( -4.451 0.000 -7.701) 8.895 2.927 ( 9.436 0.000 13.843) 16.753 2.965 ( -6.151 0.000 -1.427) 6.314 3.221 ( 5.137 0.000 1.269) 5.291 3.255 ( -1.111 0.000 -1.887) 2.189 3.467 ( -5.990 0.000 7.841) 9.868 3.488 ( -8.748 0.000 -3.076) 9.273 3.604 ( -2.210 0.000 -4.985) 5.453 3.688 ( 1.883 0.000 5.309) 5.633 3.915 ( -6.298 0.000 4.024) 7.474 4.036 ( -1.340 0.000 2.380) 2.731 4.110 ( 5.959 0.000 9.917) 11.569 4.662 ( 4.467 0.000 6.735) 8.082 4.691 ( 3.564 0.000 2.268) 4.224 5.032 ( -0.317 0.000 3.002) 3.019 5.077 ( 2.892 0.000 4.991) 5.768 5.135 ( -0.822 0.000 -5.667) 5.727 5.306 ( -14.595 0.000 21.712) 26.162 5.433 ( 8.943 0.000 3.270) 9.522 5.624 ( -12.301 0.000 -9.847) 15.757 5.643 ( -9.462 0.000 12.628) 15.780 5.854 ( 5.355 0.000 11.810) 12.968 5.966 ( -2.640 0.000 3.764) 4.597 6.401 ( 10.219 0.000 1.169) 10.286 6.414 ( -1.590 0.000 -1.895) 2.474 6.696 ( -4.728 0.000 -6.047) 7.676 6.722 ( -6.670 0.000 0.607) 6.698 6.917 ( -12.105 0.000 2.855) 12.437 6.969 ( 7.563 0.000 8.955) 11.722 7.144 ( -5.782 0.000 0.513) 5.804 7.239 ( -7.022 0.000 -0.765) 7.064 7.716 ( -14.036 0.000 -11.482) 18.134 7.795 ( 0.977 0.000 -2.166) 2.377 8.040 ( 1.375 0.000 0.641) 1.517 8.644 ( -6.748 0.000 -12.356) 14.078 8.678 ( -2.321 0.000 7.530) 7.880 8.731 ( 2.853 0.000 0.108) 2.855 8.830 ( 10.110 0.000 -5.175) 11.358 8.892 ( 1.937 0.000 10.869) 11.040 9.183 ( 12.227 0.000 -0.687) 12.246 9.532 ( 7.364 0.000 -0.679) 7.396 9.974 ( -1.348 0.000 -1.590) 2.085 10.063 ( -0.384 0.000 -4.257) 4.275 10.300 ( 10.080 0.000 3.297) 10.606 10.502 ( 2.315 0.000 -6.278) 6.692 10.546 ( -1.706 0.000 8.069) 8.248 10.726 ( 6.176 0.000 -7.139) 9.440 11.071 ( 1.371 0.000 -5.435) 5.605 11.290 ( 1.964 0.000 13.337) 13.481 11.584 ( -2.516 0.000 10.459) 10.758 12.582 ( 2.235 0.000 5.288) 5.741 12.695 ( 7.612 0.000 -10.634) 13.077 13.062 ( 7.950 0.000 -3.624) 8.737 13.190 ( -3.747 0.000 6.981) 7.923 13.451 ( -2.862 0.000 -12.525) 12.847 13.778 ( -7.771 0.000 -3.887) 8.689 14.184 ( -5.416 0.000 -3.121) 6.251 14.393 ( -3.726 0.000 2.508) 4.492 14.442 ( 2.913 0.000 -4.928) 5.725 14.746 ( 2.173 0.000 -1.024) 2.402 15.731 ( 6.627 0.000 1.049) 6.709 15.890 ( -1.130 0.000 -2.878) 3.092 15.963 ( 0.213 0.000 2.279) 2.289 16.281 ( -1.390 0.000 -5.236) 5.417 16.654 ( -0.239 0.000 1.611) 1.628 17.111 ( 1.138 0.000 -3.787) 3.954 18.205 ( -1.823 0.000 -1.160) 2.161 18.358 ( -0.819 0.000 3.063) 3.170 18.656 ( 3.660 0.000 1.173) 3.844 18.897 ( 7.370 0.000 0.498) 7.386 19.433 ( 3.276 0.000 -14.085) 14.461 19.467 ( -3.867 0.000 -4.743) 6.119 19.884 ( -1.106 0.000 3.767) 3.925 20.748 ( 0.896 0.000 -13.927) 13.956 22.206 ( -0.509 0.000 1.276) 1.374 22.220 ( -2.168 0.000 4.734) 5.207 22.435 ( -0.303 0.000 1.458) 1.489 22.584 ( 4.744 0.000 -1.107) 4.872 22.990 ( -4.285 0.000 -0.783) 4.356 23.092 ( -5.536 0.000 -1.725) 5.798 25.523 ( -0.694 0.000 1.489) 1.643 25.530 ( -0.258 0.000 2.099) 2.115 25.747 ( -0.445 0.000 0.636) 0.776 25.759 ( -3.470 0.000 6.618) 7.472 25.977 ( -0.827 0.000 1.172) 1.435 26.115 ( -1.381 0.000 1.754) 2.233 26.658 ( 3.735 0.000 1.154) 3.909 26.781 ( 0.795 0.000 4.648) 4.716 26.911 ( -1.475 0.000 6.753) 6.912 27.254 ( 3.147 0.000 -4.284) 5.316 27.451 ( -1.354 0.000 -4.193) 4.406 27.665 ( 15.778 0.000 -13.139) 20.533 ======================= Grid point 73 (37/96) ======================= q-point: ( 0.43 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( -2.256 0.000 10.667) 10.903 1.993 ( 4.750 0.000 11.281) 12.240 2.396 ( 3.155 0.000 3.295) 4.562 2.504 ( -4.304 0.000 0.243) 4.311 2.614 ( -1.172 0.000 -7.123) 7.219 2.827 ( -2.956 0.000 2.617) 3.948 2.976 ( -6.414 0.000 3.287) 7.207 3.164 ( -8.810 0.000 -14.703) 17.140 3.248 ( -7.569 0.000 0.827) 7.614 3.278 ( -6.229 0.000 -0.197) 6.232 3.490 ( 9.741 0.000 4.497) 10.729 3.637 ( 3.406 0.000 -0.743) 3.486 3.748 ( 1.932 0.000 12.153) 12.306 3.773 ( -7.470 0.000 1.909) 7.710 4.047 ( 0.467 0.000 3.326) 3.358 4.257 ( 5.046 0.000 0.877) 5.121 4.708 ( -2.225 0.000 8.027) 8.330 4.869 ( 1.108 0.000 5.048) 5.168 4.966 ( 0.111 0.000 0.403) 0.418 5.080 ( -3.903 0.000 3.454) 5.212 5.118 ( -7.305 0.000 -9.098) 11.668 5.219 ( 7.721 0.000 19.718) 21.176 5.469 ( 4.667 0.000 1.315) 4.849 5.507 ( -9.036 0.000 24.415) 26.034 5.658 ( 8.684 0.000 4.475) 9.769 5.801 ( -11.750 0.000 0.487) 11.760 5.831 ( -10.071 0.000 1.456) 10.176 6.341 ( -7.157 0.000 -4.468) 8.437 6.529 ( -4.916 0.000 -7.124) 8.656 6.593 ( 1.045 0.000 -5.868) 5.960 6.686 ( 11.867 0.000 6.401) 13.484 6.776 ( -7.218 0.000 9.395) 11.847 7.117 ( -5.563 0.000 -1.117) 5.674 7.171 ( 7.360 0.000 6.607) 9.891 7.241 ( 12.800 0.000 10.250) 16.398 7.400 ( -12.814 0.000 -14.403) 19.278 7.824 ( 2.543 0.000 1.921) 3.187 8.123 ( 5.732 0.000 5.103) 7.674 8.419 ( -9.319 0.000 -16.280) 18.758 8.588 ( -7.554 0.000 5.306) 9.231 8.683 ( -2.185 0.000 -9.612) 9.857 9.072 ( 10.276 0.000 12.155) 15.917 9.133 ( 15.864 0.000 5.025) 16.641 9.388 ( 6.131 0.000 3.993) 7.317 9.645 ( 4.511 0.000 1.797) 4.856 9.917 ( -3.800 0.000 -2.972) 4.824 10.085 ( 4.087 0.000 -3.068) 5.110 10.436 ( 1.308 0.000 2.895) 3.176 10.467 ( -3.245 0.000 -6.761) 7.499 10.504 ( -4.225 0.000 5.384) 6.844 10.800 ( 4.024 0.000 -9.783) 10.579 11.088 ( 2.512 0.000 -6.054) 6.555 11.233 ( -10.878 0.000 8.240) 13.647 11.629 ( 1.825 0.000 10.434) 10.593 12.650 ( 2.366 0.000 6.042) 6.489 12.802 ( 6.339 0.000 -14.037) 15.402 13.170 ( -1.100 0.000 8.031) 8.106 13.203 ( 7.257 0.000 -3.610) 8.105 13.307 ( -6.124 0.000 -12.874) 14.256 13.641 ( -4.075 0.000 -2.870) 4.984 14.095 ( -1.873 0.000 -1.763) 2.572 14.409 ( 3.419 0.000 5.634) 6.590 14.492 ( 3.109 0.000 -1.690) 3.539 14.822 ( 5.387 0.000 0.308) 5.396 15.793 ( 0.327 0.000 -1.806) 1.835 15.817 ( -4.474 0.000 -5.520) 7.105 15.950 ( -2.630 0.000 0.612) 2.700 16.231 ( -0.942 0.000 -7.513) 7.572 16.653 ( -0.616 0.000 3.021) 3.083 17.114 ( 1.180 0.000 -4.675) 4.822 18.172 ( -0.879 0.000 -1.665) 1.883 18.349 ( -1.206 0.000 3.633) 3.828 18.785 ( 7.627 0.000 3.725) 8.488 19.045 ( 5.803 0.000 2.455) 6.300 19.383 ( -2.517 0.000 -17.886) 18.062 19.389 ( -1.403 0.000 -4.636) 4.844 19.873 ( -1.449 0.000 4.015) 4.268 20.665 ( -4.424 0.000 -10.687) 11.566 22.203 ( -1.189 0.000 2.961) 3.191 22.209 ( 0.418 0.000 1.335) 1.399 22.433 ( -0.653 0.000 1.672) 1.795 22.684 ( 5.485 0.000 -3.103) 6.302 22.946 ( 0.249 0.000 0.486) 0.546 22.997 ( -2.878 0.000 -0.373) 2.902 25.516 ( -0.641 0.000 1.502) 1.633 25.529 ( -0.642 0.000 2.114) 2.209 25.742 ( -0.782 0.000 6.464) 6.511 25.744 ( -0.012 0.000 0.646) 0.646 25.960 ( -1.310 0.000 1.306) 1.850 26.097 ( -0.983 0.000 1.395) 1.706 26.700 ( 0.342 0.000 -0.262) 0.430 26.810 ( -0.207 0.000 5.484) 5.487 26.916 ( -0.445 0.000 7.295) 7.308 27.293 ( 2.442 0.000 -5.806) 6.298 27.402 ( -2.219 0.000 -3.016) 3.745 27.866 ( 9.930 0.000 -14.818) 17.838 ======================= Grid point 74 (38/96) ======================= q-point: (-0.43 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -18.028 0.000 7.672) 19.592 1.820 ( -20.608 0.000 6.181) 21.514 2.454 ( -13.456 0.000 -2.627) 13.710 2.513 ( 2.034 0.000 2.234) 3.022 2.566 ( 5.605 0.000 8.166) 9.905 2.838 ( -5.308 0.000 -7.725) 9.372 2.870 ( 0.138 0.000 -2.454) 2.458 2.972 ( 3.625 0.000 -1.078) 3.782 3.078 ( -7.347 0.000 3.008) 7.939 3.243 ( 2.172 0.000 -2.875) 3.603 3.545 ( -8.262 0.000 -7.449) 11.124 3.695 ( 8.369 0.000 2.268) 8.671 3.800 ( 5.685 0.000 5.618) 7.993 3.845 ( 1.091 0.000 14.394) 14.435 4.071 ( 0.855 0.000 4.247) 4.332 4.287 ( -0.614 0.000 -3.546) 3.599 4.639 ( -6.600 0.000 4.800) 8.161 4.729 ( -10.765 0.000 11.888) 16.038 4.902 ( -6.615 0.000 -3.887) 7.672 5.119 ( 12.467 0.000 -1.405) 12.546 5.131 ( 0.787 0.000 3.881) 3.960 5.381 ( -9.243 0.000 12.079) 15.210 5.511 ( -5.975 0.000 0.298) 5.982 5.523 ( 0.862 0.000 11.138) 11.172 5.608 ( 2.429 0.000 24.750) 24.869 5.680 ( -2.339 0.000 2.781) 3.634 5.887 ( 11.657 0.000 5.221) 12.773 6.152 ( -7.670 0.000 -7.754) 10.906 6.495 ( -0.594 0.000 -2.116) 2.197 6.654 ( 3.834 0.000 -1.294) 4.046 6.666 ( -3.815 0.000 2.456) 4.538 6.970 ( 14.395 0.000 9.814) 17.422 6.995 ( -5.419 0.000 -3.119) 6.252 7.132 ( -6.561 0.000 -17.172) 18.383 7.282 ( 2.847 0.000 0.595) 2.908 7.524 ( 9.066 0.000 -3.783) 9.823 7.996 ( 13.759 0.000 19.789) 24.102 8.189 ( -8.097 0.000 -16.035) 17.963 8.277 ( 7.183 0.000 7.080) 10.086 8.461 ( -6.660 0.000 3.017) 7.311 8.611 ( -1.373 0.000 -8.284) 8.397 9.313 ( 7.869 0.000 13.520) 15.643 9.400 ( 1.987 0.000 2.093) 2.886 9.463 ( 7.708 0.000 5.868) 9.688 9.716 ( -1.040 0.000 -1.148) 1.549 9.840 ( 1.283 0.000 -0.656) 1.441 10.144 ( -0.005 0.000 -3.593) 3.593 10.303 ( -12.683 0.000 -1.299) 12.749 10.380 ( -0.421 0.000 -6.514) 6.528 10.480 ( -2.204 0.000 2.092) 3.038 10.806 ( 0.451 0.000 -10.466) 10.476 10.983 ( -15.847 0.000 4.618) 16.506 11.118 ( 2.043 0.000 -4.181) 4.653 11.681 ( -1.241 0.000 13.583) 13.640 12.706 ( 0.726 0.000 6.482) 6.523 12.766 ( -5.565 0.000 -12.276) 13.478 13.192 ( 0.318 0.000 5.715) 5.723 13.200 ( 0.200 0.000 -14.740) 14.742 13.261 ( 0.376 0.000 -4.061) 4.078 13.651 ( 6.584 0.000 -1.999) 6.880 14.130 ( 5.691 0.000 1.699) 5.939 14.537 ( 1.909 0.000 -2.026) 2.784 14.540 ( 7.078 0.000 5.858) 9.188 14.938 ( 5.768 0.000 -0.464) 5.787 15.695 ( -5.209 0.000 -5.347) 7.465 15.763 ( -1.737 0.000 -3.034) 3.496 15.848 ( -7.711 0.000 -1.146) 7.795 16.205 ( 1.209 0.000 -6.624) 6.733 16.652 ( -0.630 0.000 2.800) 2.869 17.134 ( 2.555 0.000 -3.583) 4.401 18.163 ( 0.656 0.000 -2.015) 2.119 18.344 ( -0.694 0.000 4.322) 4.377 18.925 ( 4.172 0.000 0.054) 4.172 19.079 ( -2.726 0.000 -0.576) 2.786 19.200 ( -9.058 0.000 -18.780) 20.851 19.423 ( 5.781 0.000 -1.825) 6.063 19.859 ( -1.478 0.000 4.139) 4.395 20.539 ( -4.221 0.000 -4.926) 6.487 22.187 ( -1.379 0.000 1.458) 2.007 22.231 ( 1.011 0.000 1.903) 2.154 22.421 ( -0.923 0.000 1.324) 1.614 22.726 ( -0.012 0.000 -4.432) 4.432 23.002 ( 4.718 0.000 0.924) 4.807 23.022 ( 5.502 0.000 -0.471) 5.522 25.510 ( -0.476 0.000 1.620) 1.688 25.521 ( -0.797 0.000 1.929) 2.087 25.752 ( 0.549 0.000 0.955) 1.101 25.775 ( 1.984 0.000 5.948) 6.270 25.944 ( -0.677 0.000 2.656) 2.741 26.087 ( -0.488 0.000 0.894) 1.018 26.678 ( -2.475 0.000 0.832) 2.611 26.806 ( -1.861 0.000 4.349) 4.731 26.937 ( -0.565 0.000 7.733) 7.754 27.290 ( -0.632 0.000 -9.400) 9.421 27.347 ( -2.202 0.000 -1.889) 2.902 27.936 ( 2.663 0.000 -16.824) 17.034 ======================= Grid point 75 (39/96) ======================= q-point: (-0.29 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -18.599 0.000 12.305) 22.301 1.403 ( -23.208 0.000 10.261) 25.375 2.022 ( -25.549 0.000 8.374) 26.886 2.548 ( 1.368 0.000 1.230) 1.840 2.654 ( -7.200 0.000 9.245) 11.718 2.705 ( -1.267 0.000 -7.036) 7.150 2.909 ( 7.331 0.000 3.292) 8.036 3.120 ( 6.572 0.000 -1.122) 6.667 3.131 ( 9.878 0.000 0.977) 9.926 3.312 ( 3.679 0.000 -4.581) 5.875 3.401 ( -0.473 0.000 -4.648) 4.672 3.833 ( 4.313 0.000 4.754) 6.419 3.853 ( -3.745 0.000 11.118) 11.732 3.919 ( 3.323 0.000 2.827) 4.363 4.147 ( 6.236 0.000 7.126) 9.469 4.195 ( -8.181 0.000 -5.110) 9.646 4.525 ( -6.244 0.000 0.046) 6.244 4.583 ( -8.323 0.000 15.427) 17.529 4.833 ( 0.292 0.000 -0.595) 0.663 5.005 ( -10.133 0.000 5.663) 11.608 5.345 ( -4.874 0.000 -2.256) 5.371 5.352 ( 2.084 0.000 9.908) 10.125 5.441 ( 14.682 0.000 -0.725) 14.700 5.587 ( -8.919 0.000 2.493) 9.261 5.593 ( 1.912 0.000 23.337) 23.415 5.807 ( 1.725 0.000 20.356) 20.429 6.054 ( 3.045 0.000 -5.515) 6.300 6.138 ( 9.138 0.000 3.746) 9.876 6.382 ( -6.642 0.000 -0.768) 6.686 6.595 ( -10.179 0.000 -1.797) 10.336 6.624 ( -2.391 0.000 -4.015) 4.673 7.007 ( 8.409 0.000 -1.588) 8.557 7.050 ( 2.195 0.000 -9.604) 9.852 7.303 ( 0.927 0.000 -4.318) 4.416 7.358 ( 21.169 0.000 2.296) 21.294 7.602 ( 4.493 0.000 -6.621) 8.002 7.984 ( -7.190 0.000 -14.867) 16.514 8.354 ( -4.794 0.000 0.341) 4.806 8.423 ( 17.740 0.000 24.527) 30.270 8.433 ( 6.067 0.000 4.412) 7.502 8.580 ( 0.633 0.000 -4.248) 4.295 9.291 ( -9.560 0.000 0.472) 9.572 9.409 ( -4.214 0.000 12.365) 13.064 9.550 ( -10.824 0.000 -7.667) 13.264 9.653 ( 4.829 0.000 3.799) 6.144 9.964 ( -12.909 0.000 -0.907) 12.941 10.037 ( 7.221 0.000 -0.783) 7.263 10.050 ( -3.614 0.000 -8.360) 9.108 10.403 ( -5.783 0.000 -2.643) 6.359 10.410 ( 2.565 0.000 -3.699) 4.502 10.718 ( -10.860 0.000 7.292) 13.081 10.748 ( -2.506 0.000 -9.095) 9.434 11.122 ( -0.661 0.000 -2.042) 2.146 11.687 ( -3.375 0.000 17.138) 17.467 12.593 ( -5.395 0.000 -9.232) 10.693 12.719 ( -1.541 0.000 4.647) 4.896 13.078 ( -7.956 0.000 -5.923) 9.919 13.218 ( 0.859 0.000 3.445) 3.550 13.316 ( 7.548 0.000 -13.028) 15.057 13.817 ( 9.233 0.000 -1.738) 9.395 14.303 ( 9.607 0.000 3.159) 10.113 14.547 ( 0.476 0.000 -5.413) 5.434 14.694 ( 6.304 0.000 3.318) 7.124 15.004 ( 1.044 0.000 -4.647) 4.763 15.614 ( -0.894 0.000 -0.834) 1.222 15.647 ( -11.652 0.000 -2.439) 11.904 15.737 ( 0.395 0.000 -1.521) 1.572 16.232 ( 3.160 0.000 -3.846) 4.977 16.648 ( -0.584 0.000 1.664) 1.764 17.177 ( 2.354 0.000 -3.670) 4.360 18.181 ( 1.863 0.000 -2.092) 2.801 18.352 ( -0.418 0.000 3.844) 3.866 18.799 ( -11.966 0.000 -16.808) 20.632 18.982 ( -5.450 0.000 -3.489) 6.471 19.041 ( -3.426 0.000 2.257) 4.103 19.541 ( 5.742 0.000 -1.145) 5.855 19.850 ( -0.869 0.000 4.213) 4.301 20.501 ( 1.567 0.000 -1.012) 1.866 22.165 ( -1.100 0.000 1.584) 1.928 22.251 ( 0.001 0.000 2.403) 2.403 22.418 ( 0.335 0.000 0.758) 0.828 22.692 ( -1.063 0.000 -4.915) 5.028 23.109 ( 5.339 0.000 0.222) 5.344 23.149 ( 6.727 0.000 -2.016) 7.023 25.510 ( -0.132 0.000 1.769) 1.774 25.515 ( -0.447 0.000 1.722) 1.779 25.767 ( 0.389 0.000 1.358) 1.412 25.847 ( 2.936 0.000 0.894) 3.069 25.989 ( 5.005 0.000 9.107) 10.392 26.088 ( 0.439 0.000 0.515) 0.676 26.618 ( -4.028 0.000 2.334) 4.655 26.779 ( -2.211 0.000 3.754) 4.356 26.943 ( -1.614 0.000 7.414) 7.588 27.177 ( -7.898 0.000 -15.213) 17.141 27.291 ( -3.173 0.000 -2.449) 4.008 27.838 ( -6.088 0.000 -16.228) 17.333 ======================= Grid point 76 (40/96) ======================= q-point: (-0.14 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -16.304 0.000 18.650) 24.772 1.059 ( -7.690 0.000 25.394) 26.533 1.671 ( -12.640 0.000 25.386) 28.359 2.488 ( -9.965 0.000 9.977) 14.101 2.585 ( 1.894 0.000 -0.085) 1.896 2.732 ( 4.569 0.000 -1.938) 4.963 3.084 ( 6.910 0.000 2.821) 7.464 3.193 ( 4.091 0.000 -6.538) 7.712 3.280 ( 2.150 0.000 -3.495) 4.103 3.338 ( 2.688 0.000 0.224) 2.697 3.527 ( 10.127 0.000 -0.085) 10.127 3.745 ( -12.848 0.000 5.458) 13.959 3.836 ( -6.234 0.000 -0.220) 6.238 3.944 ( -0.366 0.000 0.740) 0.825 4.166 ( 11.704 0.000 8.209) 14.296 4.337 ( 7.637 0.000 7.487) 10.695 4.359 ( -12.405 0.000 13.338) 18.215 4.526 ( -0.687 0.000 0.908) 1.139 4.872 ( 2.069 0.000 1.303) 2.446 4.929 ( -1.195 0.000 12.006) 12.066 5.248 ( -8.196 0.000 -2.829) 8.670 5.316 ( -5.240 0.000 -2.198) 5.682 5.383 ( -5.749 0.000 8.357) 10.143 5.703 ( -3.122 0.000 20.284) 20.523 5.779 ( -3.785 0.000 13.251) 13.781 5.810 ( 14.768 0.000 -1.002) 14.802 6.152 ( 6.360 0.000 -0.874) 6.420 6.270 ( 2.494 0.000 1.194) 2.766 6.311 ( -3.059 0.000 0.439) 3.091 6.369 ( -8.380 0.000 -1.279) 8.477 6.633 ( 6.418 0.000 1.574) 6.608 7.084 ( 3.878 0.000 -2.965) 4.882 7.131 ( 1.089 0.000 -2.177) 2.434 7.378 ( 9.739 0.000 -5.388) 11.130 7.583 ( 4.746 0.000 -10.452) 11.479 7.829 ( -1.879 0.000 -11.534) 11.686 7.838 ( 16.552 0.000 -0.224) 16.553 8.262 ( -4.656 0.000 0.219) 4.661 8.514 ( 1.151 0.000 -0.630) 1.312 8.605 ( 2.033 0.000 -0.327) 2.059 8.757 ( 5.224 0.000 18.113) 18.852 9.078 ( -10.627 0.000 -1.118) 10.686 9.165 ( -21.411 0.000 4.896) 21.964 9.294 ( -10.006 0.000 -9.090) 13.518 9.592 ( -10.369 0.000 -3.819) 11.050 9.748 ( -3.247 0.000 3.649) 4.884 10.046 ( 4.478 0.000 -4.286) 6.199 10.166 ( -2.147 0.000 1.749) 2.769 10.291 ( -0.230 0.000 -0.312) 0.388 10.404 ( -1.310 0.000 -4.799) 4.974 10.662 ( -2.394 0.000 -8.166) 8.510 10.707 ( 5.726 0.000 10.948) 12.355 11.090 ( -1.421 0.000 -1.085) 1.788 11.684 ( -3.502 0.000 17.922) 18.261 12.536 ( 2.188 0.000 -6.974) 7.309 12.673 ( -4.348 0.000 0.815) 4.424 12.907 ( -6.709 0.000 -3.228) 7.445 13.256 ( 1.511 0.000 4.065) 4.337 13.417 ( 7.266 0.000 -13.477) 15.311 13.957 ( 5.343 0.000 -1.636) 5.587 14.453 ( 3.648 0.000 -0.040) 3.648 14.518 ( -0.618 0.000 -9.197) 9.218 14.789 ( 2.333 0.000 -0.319) 2.355 14.942 ( -4.086 0.000 -8.397) 9.338 15.401 ( -11.266 0.000 -0.513) 11.277 15.663 ( 4.540 0.000 3.899) 5.985 15.781 ( 3.703 0.000 1.525) 4.005 16.285 ( 2.922 0.000 -1.642) 3.352 16.642 ( -0.317 0.000 0.394) 0.506 17.147 ( -4.086 0.000 -5.259) 6.660 18.214 ( 2.119 0.000 -1.818) 2.792 18.333 ( -0.986 0.000 1.607) 1.885 18.698 ( 7.286 0.000 5.373) 9.053 18.865 ( -4.595 0.000 -5.021) 6.806 18.949 ( -6.231 0.000 -1.148) 6.335 19.614 ( 2.036 0.000 -2.036) 2.879 19.859 ( 0.270 0.000 3.934) 3.943 20.572 ( 5.808 0.000 -4.128) 7.126 22.174 ( 1.466 0.000 3.436) 3.735 22.248 ( -1.012 0.000 2.189) 2.411 22.434 ( 0.733 0.000 0.598) 0.947 22.642 ( -2.743 0.000 -4.900) 5.615 23.186 ( 2.230 0.000 -1.066) 2.472 23.246 ( 3.863 0.000 -2.982) 4.880 25.517 ( -0.054 0.000 1.628) 1.629 25.518 ( 0.213 0.000 1.817) 1.829 25.772 ( -0.468 0.000 1.585) 1.652 25.883 ( 1.606 0.000 -1.811) 2.421 26.109 ( 1.437 0.000 0.576) 1.548 26.240 ( 15.869 0.000 8.369) 17.941 26.550 ( -3.587 0.000 3.235) 4.831 26.753 ( -1.692 0.000 3.577) 3.957 26.795 ( -23.401 0.000 -14.709) 27.641 26.934 ( -1.863 0.000 7.028) 7.271 27.225 ( -2.109 0.000 -2.339) 3.149 27.662 ( -5.755 0.000 -6.708) 8.838 ======================= Grid point 77 (41/96) ======================= q-point: ( 0.00 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 12.997 12.638 19.187) 26.396 1.338 ( -7.656 22.673 22.645) 32.946 1.918 ( 13.414 10.127 33.345) 37.342 2.220 ( 0.361 -15.710 11.501) 19.473 2.552 ( -1.221 -5.393 -2.594) 6.108 2.788 ( -3.691 -14.073 2.145) 14.706 2.977 ( 4.062 -1.326 -0.305) 4.283 3.058 ( -1.875 -10.279 1.430) 10.546 3.231 ( 4.326 -10.332 4.877) 12.217 3.300 ( 1.370 -8.731 5.139) 10.223 3.506 ( -0.488 4.867 -4.213) 6.456 3.695 ( -0.268 -1.728 0.912) 1.972 3.777 ( -1.547 0.356 1.035) 1.895 4.023 ( -6.804 -7.419 8.644) 13.269 4.032 ( -1.903 5.292 -0.817) 5.683 4.344 ( 6.346 -5.227 1.672) 8.390 4.560 ( -3.512 2.877 6.358) 7.813 4.738 ( 6.090 15.780 14.785) 22.465 5.013 ( -4.118 -1.028 0.350) 4.259 5.099 ( 4.892 12.298 11.172) 17.321 5.152 ( -5.032 8.580 6.248) 11.746 5.198 ( 0.647 5.270 6.248) 8.199 5.484 ( 3.808 -1.087 8.255) 9.156 5.567 ( -10.864 4.822 4.091) 12.570 5.801 ( 4.957 -3.400 10.100) 11.753 5.995 ( -8.353 1.736 -4.395) 9.597 6.161 ( -4.369 2.724 -4.384) 6.763 6.226 ( -0.427 1.958 -0.051) 2.005 6.361 ( 5.766 2.139 3.453) 7.053 6.409 ( 3.962 0.806 1.541) 4.327 6.715 ( 7.476 -10.011 6.376) 14.027 7.101 ( 0.131 -0.247 -1.882) 1.902 7.168 ( -0.463 0.115 -6.312) 6.330 7.422 ( -4.109 -1.903 -4.484) 6.373 7.528 ( 0.271 -2.375 -9.271) 9.574 7.859 ( 1.938 -4.478 -7.879) 9.267 7.972 ( 5.729 -1.809 -2.537) 6.522 8.053 ( 0.172 -10.650 2.649) 10.976 8.483 ( -7.961 -1.656 0.312) 8.138 8.577 ( -5.464 -1.398 -0.565) 5.668 8.800 ( -4.908 7.514 5.742) 10.655 8.931 ( -5.880 3.671 -1.826) 7.168 9.010 ( -3.113 2.877 3.106) 5.255 9.197 ( 4.670 -1.600 -6.042) 7.802 9.359 ( -12.400 5.171 -7.217) 15.251 9.799 ( 3.105 -5.085 5.547) 8.141 9.950 ( 2.784 -1.590 1.047) 3.372 10.184 ( -2.505 3.771 -0.826) 4.602 10.328 ( 4.883 -2.173 -3.248) 6.254 10.507 ( 0.366 2.614 -1.881) 3.241 10.672 ( 2.440 6.586 -2.095) 7.329 10.924 ( 8.313 2.246 10.506) 13.584 11.011 ( 1.373 -3.447 3.404) 5.035 11.622 ( -3.581 -5.113 14.820) 16.081 12.425 ( -0.152 -7.515 1.990) 7.775 12.583 ( 1.181 -3.027 -5.502) 6.390 12.893 ( 1.239 4.822 -0.716) 5.029 13.224 ( -0.681 -4.319 3.324) 5.493 13.586 ( 3.453 6.514 -12.910) 14.867 13.954 ( -0.616 -4.846 -4.114) 6.386 14.420 ( -2.576 0.111 -4.638) 5.307 14.489 ( -2.496 1.481 -6.588) 7.199 14.731 ( -5.850 -0.279 -4.057) 7.124 14.768 ( -5.397 -4.008 -8.318) 10.695 15.452 ( 4.803 10.481 4.364) 12.327 15.803 ( 5.173 2.072 3.867) 6.783 15.843 ( 4.337 -1.881 3.933) 6.150 16.257 ( 2.197 -6.968 -2.096) 7.601 16.720 ( -1.017 6.912 -0.859) 7.039 17.055 ( -0.140 -1.756 0.102) 1.765 18.252 ( 0.512 1.187 -1.117) 1.709 18.359 ( 0.572 0.200 2.871) 2.935 18.688 ( -1.905 -2.906 -4.051) 5.337 18.784 ( -3.173 -2.458 -1.960) 4.466 19.161 ( 10.254 8.166 -2.372) 13.321 19.580 ( -0.598 -3.680 -4.212) 5.625 19.966 ( 0.705 8.050 0.882) 8.129 20.544 ( 4.899 -10.050 -5.647) 12.526 22.147 ( 0.263 -2.789 3.304) 4.332 22.218 ( -1.177 -2.363 2.263) 3.477 22.565 ( 1.262 7.771 0.136) 7.874 22.742 ( -3.122 14.254 -7.498) 16.405 23.171 ( -2.138 -1.310 -2.935) 3.860 23.191 ( -0.640 -6.964 -3.027) 7.621 25.526 ( 0.115 0.554 1.940) 2.020 25.550 ( -0.344 1.557 1.770) 2.383 25.760 ( -0.850 -0.072 1.430) 1.665 25.885 ( 0.903 -1.742 -1.223) 2.312 26.077 ( -10.249 -5.725 4.772) 12.673 26.113 ( 0.501 -2.242 1.455) 2.719 26.519 ( 0.131 0.064 3.104) 3.107 26.650 ( 7.641 -5.676 3.644) 10.192 26.840 ( 3.648 4.774 2.004) 6.334 27.054 ( 3.053 2.421 -2.115) 4.433 27.271 ( 0.515 7.907 -1.813) 8.128 27.553 ( -2.676 -1.348 -2.293) 3.773 ======================= Grid point 78 (42/96) ======================= q-point: ( 0.14 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 4.011 10.354 22.113) 24.745 1.497 ( 15.957 16.847 16.342) 28.382 2.286 ( 8.822 -0.545 11.829) 14.766 2.427 ( 9.987 -5.464 15.311) 19.079 2.533 ( 6.298 -5.789 2.422) 8.891 2.651 ( -8.323 -16.704 0.433) 18.668 2.966 ( -3.749 -9.046 -0.816) 9.826 3.098 ( 4.992 5.834 3.153) 8.301 3.326 ( 3.757 -9.258 1.863) 10.163 3.366 ( 1.685 -3.741 8.432) 9.377 3.567 ( 4.525 3.409 -0.543) 5.692 3.646 ( -4.148 -3.136 -0.167) 5.203 3.760 ( -1.088 1.689 4.288) 4.735 3.935 ( -4.356 -3.858 0.413) 5.833 4.035 ( 1.813 3.158 3.686) 5.181 4.357 ( -11.946 4.948 5.529) 14.063 4.515 ( 4.635 2.832 1.968) 5.777 4.792 ( -7.285 6.334 6.411) 11.589 4.926 ( -0.692 4.664 4.829) 6.749 5.087 ( 0.548 1.783 4.069) 4.476 5.240 ( 4.660 5.291 8.417) 10.979 5.373 ( -4.247 4.271 15.462) 16.594 5.463 ( 8.720 6.331 6.324) 12.494 5.590 ( 3.330 1.423 10.217) 10.840 5.764 ( -10.425 -1.902 -0.740) 10.623 5.942 ( 0.226 -0.423 2.746) 2.788 5.978 ( -5.718 5.929 -6.019) 10.202 6.257 ( 2.565 -0.362 -0.148) 2.595 6.430 ( -1.066 -2.052 3.630) 4.304 6.567 ( 10.055 -1.287 5.214) 11.399 6.813 ( -0.771 -7.957 6.310) 10.184 6.978 ( -11.253 -0.504 -4.806) 12.247 7.068 ( -6.567 -0.697 -5.787) 8.781 7.219 ( -11.791 -8.647 -5.717) 15.700 7.478 ( -5.467 4.235 -6.641) 9.587 7.785 ( -1.532 -4.367 -2.687) 5.352 7.984 ( -9.491 -1.786 -4.258) 10.555 8.037 ( -0.235 -1.557 -3.205) 3.571 8.441 ( 4.546 -5.548 5.716) 9.172 8.558 ( 3.837 -5.808 2.336) 7.343 8.788 ( 0.098 3.467 3.508) 4.933 8.829 ( -1.409 3.889 -6.429) 7.644 9.024 ( 2.805 2.348 -2.003) 4.170 9.124 ( -7.271 8.158 -0.185) 10.930 9.366 ( 11.339 0.966 -5.953) 12.843 9.852 ( 1.159 -8.875 0.081) 8.951 10.046 ( 4.410 -1.287 3.932) 6.047 10.155 ( 1.328 1.445 -1.954) 2.770 10.440 ( 6.997 0.195 -4.190) 8.158 10.499 ( -0.405 -2.007 -0.029) 2.047 10.728 ( 3.076 7.817 0.144) 8.402 11.042 ( 2.764 -1.973 -1.916) 3.899 11.152 ( 8.223 3.648 13.790) 16.465 11.613 ( -2.574 -1.925 12.730) 13.129 12.451 ( 1.742 -5.327 2.965) 6.341 12.608 ( 3.674 -2.517 -5.404) 7.003 12.964 ( 5.661 3.682 -1.938) 7.025 13.205 ( -2.282 -2.988 3.580) 5.192 13.572 ( -0.032 4.698 -12.280) 13.148 13.873 ( -5.418 -5.473 -5.210) 9.298 14.327 ( -5.357 1.778 -3.021) 6.402 14.417 ( -2.460 -0.048 -5.036) 5.605 14.560 ( -5.799 1.930 -5.922) 8.510 14.714 ( -0.036 -3.029 -3.643) 4.738 15.615 ( 8.608 7.158 3.441) 11.712 15.888 ( 2.282 0.981 1.179) 2.750 15.924 ( 2.396 -0.534 3.386) 4.182 16.267 ( -0.189 -5.610 -3.609) 6.673 16.706 ( -0.196 5.963 0.953) 6.042 17.075 ( 1.533 -1.738 -0.501) 2.371 18.241 ( -1.184 0.379 -1.329) 1.820 18.372 ( -0.298 -0.004 2.986) 3.001 18.635 ( -0.369 -0.527 -3.847) 3.901 18.774 ( 2.413 -1.162 -1.870) 3.267 19.329 ( 7.037 -0.235 -4.429) 8.318 19.524 ( -3.158 -3.387 -5.498) 7.188 19.987 ( 1.121 8.949 0.429) 9.029 20.622 ( 5.345 -9.871 -9.065) 14.428 22.164 ( 0.168 -3.036 3.983) 5.011 22.205 ( -0.964 -1.740 2.250) 3.003 22.580 ( 0.178 5.609 0.072) 5.612 22.640 ( -4.016 13.302 -3.609) 14.356 23.083 ( -5.224 -1.472 -2.876) 6.142 23.130 ( -4.250 -6.714 -2.461) 8.318 25.526 ( -0.747 0.349 1.804) 1.984 25.548 ( -0.423 1.047 1.925) 2.232 25.751 ( -0.675 0.462 1.537) 1.741 25.856 ( -3.940 1.219 1.936) 4.556 25.967 ( -1.800 -1.447 3.496) 4.189 26.111 ( -1.150 -2.433 1.920) 3.305 26.576 ( 4.048 0.813 2.767) 4.970 26.742 ( 1.549 -2.252 3.333) 4.310 26.928 ( 1.697 2.172 4.348) 5.148 27.182 ( 7.780 -3.361 -6.254) 10.533 27.344 ( 9.838 3.524 -5.947) 12.024 27.506 ( -1.220 -0.670 -1.410) 1.981 ======================= Grid point 79 (43/96) ======================= q-point: ( 0.29 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 12.915 3.730 18.112) 22.556 1.810 ( 8.455 7.545 12.157) 16.619 2.398 ( -1.957 -12.993 -0.901) 13.171 2.446 ( -1.244 -3.225 -0.454) 3.486 2.566 ( 2.037 -3.349 2.566) 4.685 2.783 ( 5.303 -10.582 3.640) 12.383 2.918 ( -0.062 0.828 1.131) 1.403 3.201 ( 2.516 5.695 3.891) 7.341 3.353 ( -2.291 -2.118 2.960) 4.300 3.422 ( 0.237 -2.348 6.074) 6.516 3.543 ( -3.954 -7.736 -2.064) 8.929 3.656 ( 3.135 2.900 2.218) 4.813 3.736 ( -3.292 10.650 6.324) 12.816 3.849 ( -3.409 -3.724 -1.595) 5.295 4.137 ( 4.250 2.158 5.019) 6.922 4.162 ( -6.036 9.502 6.360) 12.930 4.568 ( 1.413 -6.624 0.755) 6.815 4.773 ( 5.498 7.009 5.168) 10.299 4.958 ( 1.300 1.337 3.478) 3.946 4.995 ( -10.889 -5.189 8.630) 14.831 5.361 ( 2.570 8.276 11.558) 14.445 5.415 ( -10.861 8.948 -3.163) 14.424 5.464 ( 5.902 2.452 4.107) 7.597 5.541 ( -5.366 0.020 13.040) 14.101 5.703 ( -8.159 2.412 -3.318) 9.132 5.873 ( 0.101 -0.627 5.650) 5.686 6.023 ( 0.429 7.337 6.364) 9.722 6.335 ( 9.491 -8.123 -0.105) 12.493 6.418 ( -0.610 -0.239 1.583) 1.713 6.598 ( -9.470 -6.777 -7.808) 14.020 6.758 ( -4.918 2.219 4.222) 6.851 6.826 ( -15.162 -7.014 -3.135) 16.998 6.891 ( 3.038 -5.621 7.576) 9.911 7.047 ( -0.257 -7.824 2.873) 8.339 7.346 ( -4.346 7.463 0.043) 8.636 7.737 ( -11.648 1.965 -8.296) 14.434 7.795 ( 1.419 -0.394 -2.781) 3.147 8.024 ( 1.647 -3.233 0.119) 3.630 8.480 ( -4.077 -7.124 -6.150) 10.256 8.616 ( -2.511 -5.317 -4.757) 7.563 8.812 ( 10.382 0.494 -0.061) 10.394 8.890 ( 1.440 8.113 3.385) 8.908 9.072 ( 1.443 13.084 7.843) 15.323 9.144 ( 9.853 -2.202 1.721) 10.242 9.542 ( 7.245 0.325 -2.245) 7.592 9.870 ( 1.289 -6.289 -1.855) 6.682 10.067 ( -0.934 -2.984 0.902) 3.254 10.252 ( 4.878 -6.325 1.634) 8.153 10.491 ( 0.979 0.631 1.155) 1.640 10.557 ( 5.159 1.902 -6.330) 8.385 10.772 ( 1.548 4.101 -1.603) 4.667 11.079 ( 1.982 -0.031 -4.105) 4.559 11.318 ( 2.439 3.422 11.731) 12.461 11.616 ( -0.596 1.901 9.029) 9.246 12.503 ( 2.482 -4.558 2.029) 5.572 12.691 ( 6.247 -3.148 -4.485) 8.309 13.067 ( 5.214 1.098 -4.394) 6.907 13.183 ( -0.375 0.200 3.141) 3.170 13.498 ( -3.039 3.361 -11.663) 12.512 13.731 ( -6.637 -4.390 -5.006) 9.401 14.214 ( -4.510 2.570 -2.994) 5.992 14.342 ( -3.129 -1.846 0.885) 3.739 14.520 ( 2.476 4.630 -3.676) 6.410 14.734 ( 2.894 -1.238 -0.082) 3.149 15.758 ( 4.450 2.677 0.496) 5.217 15.894 ( -1.447 0.222 -2.190) 2.634 15.959 ( 0.417 -0.010 1.329) 1.393 16.229 ( -1.708 -5.265 -6.013) 8.173 16.715 ( 0.185 6.118 2.611) 6.655 17.093 ( 0.814 -2.131 -2.561) 3.429 18.208 ( -1.424 0.434 -1.308) 1.982 18.369 ( -1.153 -0.141 2.945) 3.165 18.664 ( 4.005 1.505 -0.457) 4.303 18.857 ( 6.171 -3.076 -0.432) 6.909 19.394 ( 1.656 -2.728 -7.382) 8.043 19.431 ( -3.658 -3.173 -4.672) 6.729 20.008 ( 0.902 10.653 -0.134) 10.692 20.665 ( 2.155 -7.727 -10.603) 13.296 22.181 ( -0.202 -1.984 4.374) 4.807 22.200 ( -0.107 -0.684 1.879) 2.003 22.554 ( -1.971 9.008 0.406) 9.230 22.611 ( 1.420 3.318 -1.683) 3.982 22.974 ( -4.300 -1.937 -1.791) 5.045 23.024 ( -5.467 -6.448 -1.307) 8.555 25.517 ( -0.729 0.031 1.433) 1.608 25.545 ( -0.761 0.472 2.021) 2.210 25.744 ( -0.708 1.060 1.947) 2.328 25.800 ( -2.371 2.574 2.851) 4.514 25.962 ( -0.601 -1.055 2.061) 2.392 26.093 ( -1.258 -2.203 2.042) 3.257 26.669 ( 3.949 1.157 1.467) 4.369 26.775 ( 0.789 -0.812 4.175) 4.325 26.952 ( -0.410 3.997 4.784) 6.247 27.259 ( 3.498 -0.630 -4.943) 6.088 27.438 ( -0.269 -0.860 -4.282) 4.376 27.603 ( 12.111 -4.960 -8.413) 15.558 ======================= Grid point 80 (44/96) ======================= q-point: ( 0.43 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( -6.290 1.237 7.868) 10.149 1.880 ( 3.066 -5.325 10.844) 12.464 2.296 ( -6.693 -17.228 -2.276) 18.622 2.425 ( -0.743 -5.837 -0.748) 5.931 2.634 ( 5.897 16.019 0.955) 17.097 2.763 ( -4.957 -14.541 0.928) 15.390 3.025 ( 2.704 3.264 1.100) 4.379 3.136 ( -3.445 2.324 -2.467) 4.832 3.243 ( -9.083 2.948 1.754) 9.710 3.345 ( -6.851 5.205 -3.891) 9.442 3.547 ( -0.551 -12.292 6.189) 13.773 3.676 ( -0.055 2.674 -1.099) 2.891 3.737 ( 2.787 11.818 -0.484) 12.151 3.860 ( 3.668 6.239 13.725) 15.516 4.078 ( -3.245 3.512 7.023) 8.496 4.249 ( 2.076 -1.334 -2.120) 3.254 4.655 ( 4.384 -9.355 4.504) 11.270 4.832 ( -7.598 -6.003 8.320) 12.767 4.967 ( 8.372 4.345 5.731) 11.037 4.996 ( 2.659 0.927 -1.674) 3.276 5.151 ( -8.413 2.493 3.544) 9.464 5.321 ( -10.385 6.001 0.001) 11.994 5.470 ( -3.520 1.113 16.420) 16.830 5.608 ( 1.259 4.573 2.022) 5.156 5.655 ( -2.703 0.407 5.406) 6.058 5.763 ( -3.715 0.881 3.946) 5.490 5.953 ( -6.836 6.513 2.557) 9.782 6.346 ( -9.037 -0.550 -3.123) 9.577 6.445 ( 1.311 -7.192 -4.943) 8.825 6.518 ( -2.348 -6.007 -1.120) 6.546 6.675 ( 1.739 -5.386 5.093) 7.614 6.721 ( 7.190 0.828 3.580) 8.075 6.988 ( 3.827 -8.472 6.469) 11.326 7.137 ( 1.220 -2.140 5.219) 5.771 7.352 ( 5.380 7.124 6.064) 10.792 7.512 ( -6.794 8.746 -8.146) 13.748 7.818 ( 2.266 -0.769 -0.627) 2.474 8.112 ( 6.079 -3.082 4.596) 8.221 8.312 ( -8.306 -7.150 -11.874) 16.159 8.491 ( -5.596 -5.042 -8.485) 11.346 8.854 ( -3.887 10.574 -0.908) 11.302 9.070 ( 11.673 0.045 6.625) 13.423 9.235 ( 9.741 9.226 10.812) 17.231 9.336 ( 6.520 -3.750 5.113) 9.095 9.642 ( 4.243 -1.157 1.004) 4.511 9.879 ( -0.567 -3.157 -1.756) 3.657 10.066 ( 1.212 -2.711 -0.582) 3.026 10.280 ( -2.450 -10.086 2.268) 10.624 10.523 ( 1.116 3.992 0.059) 4.145 10.579 ( -1.457 4.323 -5.335) 7.019 10.785 ( 1.620 -0.326 -6.817) 7.015 11.085 ( 0.224 -1.534 -4.672) 4.922 11.292 ( -7.860 5.997 6.683) 11.933 11.661 ( 1.154 1.794 7.898) 8.181 12.561 ( 2.463 -5.163 1.962) 6.047 12.784 ( 3.562 -4.702 -3.858) 7.049 13.115 ( 2.059 -0.325 -4.332) 4.807 13.232 ( 3.583 0.814 -1.357) 3.917 13.378 ( -4.450 4.372 -10.517) 12.228 13.608 ( -3.000 -3.143 -3.877) 5.823 14.155 ( -0.335 5.278 -0.489) 5.311 14.341 ( 2.288 -3.342 2.965) 5.019 14.588 ( 4.451 6.251 0.881) 7.724 14.823 ( 5.685 -0.046 1.429) 5.862 15.786 ( -0.804 -0.375 -2.328) 2.491 15.822 ( -4.390 0.353 -4.824) 6.532 15.942 ( -2.798 -0.565 -0.628) 2.923 16.168 ( -1.612 -5.981 -7.742) 9.915 16.726 ( -0.205 6.818 3.212) 7.540 17.096 ( 0.958 -1.978 -3.478) 4.114 18.184 ( -0.393 1.207 -1.267) 1.793 18.350 ( -1.739 -1.016 2.943) 3.567 18.769 ( 5.723 -0.259 1.034) 5.822 18.979 ( 4.845 -5.247 0.821) 7.189 19.336 ( -1.709 -2.163 -7.498) 7.989 19.384 ( -1.291 -1.810 -5.500) 5.932 20.020 ( 0.350 12.189 -0.701) 12.214 20.617 ( -3.192 -4.808 -9.278) 10.927 22.185 ( -0.684 -0.792 3.477) 3.631 22.219 ( 1.112 0.624 2.050) 2.414 22.525 ( -1.656 7.746 0.443) 7.934 22.659 ( 3.826 -1.346 -1.564) 4.347 22.918 ( -1.594 -4.515 -1.112) 4.915 22.942 ( -0.742 -3.838 0.128) 3.912 25.510 ( -0.395 -0.124 1.317) 1.381 25.533 ( -1.084 -0.002 1.800) 2.101 25.741 ( -0.216 1.081 2.025) 2.306 25.782 ( -0.531 2.233 2.558) 3.436 25.952 ( -1.180 -0.374 2.292) 2.605 26.079 ( -0.876 -1.833 1.806) 2.718 26.716 ( 0.286 1.377 0.157) 1.415 26.805 ( 0.297 -0.693 5.161) 5.216 26.956 ( -0.896 4.093 4.845) 6.406 27.292 ( 1.696 -1.492 -6.345) 6.735 27.409 ( -0.937 1.725 -2.322) 3.041 27.773 ( 8.277 -8.153 -10.957) 15.970 ======================= Grid point 81 (45/96) ======================= q-point: (-0.43 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -16.213 -6.602 7.529) 19.056 1.697 ( -21.408 0.019 2.064) 21.507 2.267 ( 0.783 -20.255 -0.435) 20.275 2.428 ( 0.500 -0.831 1.779) 2.026 2.604 ( -3.602 -8.638 -1.213) 9.437 2.766 ( -11.265 5.010 1.055) 12.373 2.877 ( 1.549 -0.896 4.069) 4.446 3.055 ( -8.789 12.475 -0.738) 15.278 3.176 ( -1.825 0.715 -0.421) 2.004 3.320 ( 6.402 5.376 -2.467) 8.716 3.447 ( -5.426 -7.734 0.642) 9.469 3.741 ( 3.356 5.421 5.907) 8.692 3.822 ( 5.440 6.855 -1.186) 8.831 4.029 ( 4.330 1.928 9.118) 10.277 4.039 ( -1.445 6.119 8.094) 10.249 4.229 ( -1.331 -4.899 -0.721) 5.128 4.654 ( -5.734 -0.550 3.748) 6.873 4.757 ( -6.261 -0.516 11.737) 13.313 4.926 ( -3.019 2.978 -3.390) 5.429 5.064 ( -4.986 -4.179 -0.428) 6.520 5.114 ( 2.903 -0.553 -2.066) 3.605 5.348 ( 1.216 -7.941 3.198) 8.646 5.397 ( -1.532 -0.911 7.265) 7.480 5.484 ( -0.646 2.927 20.290) 20.511 5.599 ( -4.802 -0.330 5.978) 7.675 5.873 ( -0.342 9.645 3.417) 10.239 5.918 ( 7.879 -0.744 6.790) 10.428 6.186 ( -5.974 1.667 -1.385) 6.355 6.466 ( -0.774 -4.268 -1.421) 4.565 6.549 ( 3.227 -6.117 0.248) 6.920 6.638 ( 1.379 -0.378 -0.352) 1.473 6.945 ( 2.131 -0.409 -5.805) 6.197 7.033 ( 5.262 2.380 6.300) 8.547 7.112 ( -1.977 -0.886 -0.840) 2.324 7.418 ( 2.383 8.805 -2.597) 9.484 7.565 ( 7.264 3.789 -2.807) 8.660 7.950 ( 11.479 -2.463 13.201) 17.666 8.104 ( -7.738 -6.753 -11.739) 15.598 8.283 ( 8.451 -2.142 7.471) 11.481 8.365 ( -4.302 -5.607 -6.116) 9.346 8.768 ( -3.899 11.311 -1.545) 12.063 9.289 ( 6.479 -2.010 6.822) 9.621 9.418 ( 1.991 -1.155 4.622) 5.164 9.425 ( 3.785 -0.604 10.603) 11.274 9.754 ( 3.027 2.867 1.550) 4.448 9.822 ( 0.202 -1.033 -2.479) 2.693 10.080 ( -2.114 -4.963 -0.314) 5.404 10.195 ( -5.871 -6.564 -1.281) 8.900 10.480 ( -4.357 4.594 -5.291) 8.252 10.522 ( -1.198 4.609 -1.812) 5.095 10.766 ( -1.692 -2.361 -8.304) 8.797 11.047 ( -4.428 -3.932 0.497) 5.943 11.119 ( -8.418 8.866 -0.545) 12.238 11.689 ( -1.701 -0.637 10.133) 10.294 12.594 ( -0.477 -6.005 1.384) 6.181 12.761 ( -4.042 -3.267 -5.074) 7.263 13.127 ( 0.014 -2.279 -3.487) 4.166 13.238 ( -3.423 -2.158 -2.708) 4.869 13.310 ( 3.957 6.475 -10.031) 12.578 13.638 ( 6.814 -1.716 -2.992) 7.637 14.209 ( 5.403 6.687 2.321) 8.904 14.427 ( 4.677 -4.341 1.686) 6.600 14.685 ( 4.436 7.979 2.947) 9.593 14.947 ( 5.915 0.672 0.449) 5.970 15.704 ( -5.021 0.738 -5.394) 7.406 15.739 ( -2.453 -1.944 -3.263) 4.522 15.837 ( -7.308 -0.614 -2.108) 7.631 16.127 ( 0.540 -7.403 -6.868) 10.113 16.730 ( -0.311 7.082 2.437) 7.496 17.110 ( 1.532 -2.618 -2.839) 4.155 18.185 ( 0.994 2.016 -1.509) 2.707 18.332 ( -1.062 -1.854 2.963) 3.654 18.841 ( 0.490 -3.895 -3.266) 5.106 19.013 ( -0.964 -4.100 1.561) 4.492 19.259 ( -4.655 2.555 -8.792) 10.271 19.390 ( 4.635 -3.089 -2.416) 6.072 20.013 ( -0.735 12.566 -1.281) 12.652 20.508 ( -4.114 -3.131 -4.871) 7.104 22.176 ( -1.380 -0.321 2.070) 2.508 22.252 ( 1.046 1.227 2.564) 3.029 22.490 ( -1.580 5.629 0.287) 5.853 22.713 ( 2.031 0.302 -2.748) 3.430 22.944 ( 5.206 -6.104 0.271) 8.027 22.993 ( 4.847 -2.592 -0.630) 5.533 25.511 ( -0.119 0.087 1.354) 1.362 25.519 ( -0.774 -0.189 1.710) 1.886 25.751 ( 0.511 0.445 1.465) 1.614 25.798 ( 1.227 1.236 2.529) 3.071 25.940 ( -0.916 0.095 3.708) 3.821 26.072 ( -0.380 -1.519 1.476) 2.152 26.690 ( -2.818 1.129 1.074) 3.221 26.810 ( -1.640 -0.647 4.058) 4.424 26.950 ( -1.750 2.475 4.499) 5.425 27.267 ( -1.680 -3.089 -7.780) 8.538 27.389 ( -0.481 4.463 -2.221) 5.009 27.832 ( 1.731 -9.002 -11.884) 15.008 ======================= Grid point 82 (46/96) ======================= q-point: (-0.29 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -23.954 -7.362 5.933) 25.752 1.377 ( -12.896 7.701 14.806) 21.091 2.222 ( -9.548 -8.221 3.789) 13.157 2.331 ( -10.613 3.525 5.441) 12.437 2.504 ( -4.004 -16.620 -0.905) 17.120 2.669 ( 3.815 -2.652 5.183) 6.961 2.896 ( -2.025 -2.357 3.619) 4.770 2.973 ( 0.842 5.565 1.316) 5.780 3.201 ( 1.524 -7.104 -0.042) 7.266 3.282 ( -2.574 0.422 -3.833) 4.636 3.512 ( 5.992 3.800 -0.634) 7.124 3.805 ( -0.604 0.956 9.445) 9.512 3.921 ( -6.772 -10.894 -0.039) 12.827 3.958 ( 8.097 10.512 1.715) 13.379 4.162 ( 0.565 8.931 3.514) 9.614 4.222 ( -0.635 -2.479 4.147) 4.873 4.536 ( -5.732 0.996 1.553) 6.021 4.661 ( -6.246 9.319 9.333) 14.593 4.813 ( -6.677 -4.646 5.380) 9.753 4.965 ( 0.901 4.626 -0.194) 4.717 5.185 ( 2.015 -9.355 9.019) 13.150 5.367 ( -0.351 -3.131 2.456) 3.995 5.454 ( 1.126 -0.828 6.487) 6.636 5.585 ( -1.441 1.534 9.673) 9.899 5.683 ( 12.505 2.303 11.366) 17.055 5.915 ( 2.569 10.771 10.043) 14.949 6.071 ( 3.524 -2.204 -0.469) 4.183 6.090 ( -3.034 -3.479 0.755) 4.678 6.429 ( 1.374 2.390 1.200) 3.006 6.544 ( -5.332 -1.524 -1.569) 5.763 6.651 ( -4.367 5.022 -3.846) 7.686 6.927 ( 6.391 -5.190 -4.216) 9.249 7.016 ( -0.318 -5.183 -6.540) 8.351 7.305 ( 10.205 5.256 2.743) 11.803 7.498 ( 5.649 6.772 -4.147) 9.745 7.628 ( 4.709 1.509 -5.426) 7.341 7.932 ( -4.992 -4.307 -11.780) 13.500 8.226 ( -1.449 -10.560 -0.702) 10.682 8.331 ( 11.670 -2.331 9.940) 15.505 8.492 ( 8.757 -0.384 7.188) 11.336 8.721 ( -0.241 11.395 4.663) 12.314 9.268 ( -7.509 -0.173 1.706) 7.702 9.428 ( -6.601 -2.136 11.393) 13.339 9.535 ( -1.012 -6.490 -0.630) 6.598 9.628 ( -3.315 4.320 -1.003) 5.536 9.885 ( -10.132 -3.004 -1.610) 10.690 9.997 ( -2.142 -2.336 -4.397) 5.421 10.105 ( 4.847 0.978 -0.180) 4.948 10.412 ( -3.308 1.799 -3.197) 4.940 10.479 ( -0.677 5.023 -5.207) 7.267 10.664 ( -4.430 -2.081 -4.586) 6.707 10.902 ( -8.342 8.755 4.757) 12.995 11.031 ( -2.359 -5.396 -2.187) 6.282 11.675 ( -3.784 -2.903 13.258) 14.090 12.525 ( -5.219 -5.013 -2.783) 7.753 12.667 ( -3.136 -3.438 -2.968) 5.519 13.054 ( -5.712 -1.814 -3.875) 7.137 13.191 ( -0.167 -2.884 1.528) 3.268 13.409 ( 8.578 7.500 -11.581) 16.247 13.790 ( 8.627 -2.830 -2.973) 9.554 14.355 ( 7.369 4.115 2.427) 8.782 14.504 ( 2.842 -3.083 -2.276) 4.771 14.768 ( 2.853 6.469 1.317) 7.191 15.017 ( 0.814 0.859 -3.791) 3.971 15.618 ( -3.222 0.283 -2.251) 3.941 15.654 ( -7.165 1.031 -1.142) 7.329 15.705 ( -0.497 -1.658 -1.900) 2.571 16.144 ( 3.092 -8.451 -4.030) 9.860 16.734 ( 0.059 7.200 0.901) 7.257 17.124 ( 0.401 -4.687 -2.660) 5.404 18.209 ( 1.850 2.362 -1.671) 3.434 18.329 ( -0.333 -1.875 2.462) 3.113 18.758 ( -5.205 0.392 -5.054) 7.266 18.986 ( -3.103 -3.893 2.210) 5.447 19.121 ( -5.365 7.714 -7.709) 12.154 19.493 ( 5.531 -4.670 -1.603) 7.415 19.984 ( -1.581 11.008 -0.694) 11.143 20.455 ( -0.062 -4.292 -1.331) 4.494 22.151 ( -1.532 -0.414 1.397) 2.114 22.260 ( -1.249 -0.696 2.631) 2.995 22.489 ( 1.470 6.826 0.478) 6.999 22.744 ( 2.912 5.072 -4.624) 7.455 23.074 ( 6.829 -5.651 -0.640) 8.887 23.096 ( 5.438 -2.952 -1.535) 6.375 25.508 ( -0.311 0.125 1.327) 1.369 25.526 ( 0.470 0.593 2.001) 2.139 25.766 ( 0.412 0.004 1.205) 1.274 25.840 ( 1.976 -0.893 -0.180) 2.176 25.966 ( 2.399 -0.969 7.807) 8.224 26.080 ( 0.749 -1.293 1.530) 2.138 26.624 ( -4.327 0.518 2.230) 4.895 26.769 ( -4.180 -3.180 2.710) 5.910 26.909 ( -3.907 1.251 2.100) 4.609 27.176 ( -4.433 -1.932 -8.083) 9.419 27.358 ( -1.973 6.278 -3.047) 7.252 27.757 ( -4.570 -6.715 -10.161) 13.009 ======================= Grid point 83 (47/96) ======================= q-point: (-0.14 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -5.263 3.389 18.852) 19.864 1.315 ( -0.775 14.095 24.214) 28.028 1.896 ( -19.296 18.916 19.872) 33.541 2.234 ( -4.410 -18.159 8.139) 20.382 2.542 ( 3.268 -10.756 0.647) 11.260 2.759 ( 3.646 -6.968 2.528) 8.260 2.894 ( 2.417 -6.976 1.637) 7.562 3.048 ( 3.869 -1.448 1.033) 4.259 3.181 ( -1.703 -13.011 2.638) 13.384 3.272 ( 0.826 -3.107 -0.792) 3.312 3.589 ( 0.670 4.003 -1.370) 4.283 3.726 ( -8.481 -6.117 -0.613) 10.475 3.807 ( -1.816 -3.688 1.952) 4.551 4.095 ( -4.535 6.580 -1.151) 8.074 4.125 ( -1.268 -8.664 7.493) 11.525 4.212 ( 3.284 3.439 5.720) 7.439 4.502 ( 2.455 6.044 1.768) 6.759 4.637 ( -0.362 11.453 12.163) 16.710 4.874 ( 7.986 5.310 12.728) 15.936 5.024 ( 2.940 8.700 0.427) 9.193 5.194 ( -4.549 -6.850 11.543) 14.173 5.320 ( -3.844 -1.187 2.151) 4.562 5.480 ( -6.604 6.499 7.007) 11.617 5.603 ( 5.663 -4.679 7.124) 10.232 5.824 ( -11.152 5.286 6.099) 13.766 5.999 ( 12.240 3.949 3.493) 13.327 6.115 ( 4.455 3.071 0.860) 5.478 6.191 ( 6.455 -3.607 1.192) 7.490 6.367 ( -8.585 1.117 -2.454) 8.999 6.447 ( -6.119 10.481 -0.402) 12.143 6.567 ( 3.852 -5.757 1.499) 7.087 7.040 ( 4.492 -3.246 -3.307) 6.454 7.108 ( 8.653 -5.245 -2.307) 10.379 7.422 ( 3.287 6.014 -2.511) 7.299 7.534 ( 2.949 -3.908 -11.060) 12.095 7.793 ( 7.728 -1.115 -4.223) 8.877 7.853 ( 3.129 -1.804 -5.483) 6.566 8.121 ( -5.491 -12.654 -2.381) 13.998 8.546 ( 4.291 1.524 1.392) 4.762 8.605 ( 1.810 0.644 -0.212) 1.933 8.826 ( 3.255 6.189 16.775) 18.174 9.083 ( -10.791 2.692 -0.543) 11.135 9.221 ( -14.751 0.210 2.666) 14.992 9.289 ( -13.776 0.220 -7.902) 15.883 9.597 ( -7.140 0.146 -1.445) 7.287 9.755 ( -1.967 0.060 4.578) 4.983 9.914 ( 0.321 -4.610 -3.400) 5.737 10.236 ( 1.463 1.745 0.026) 2.277 10.298 ( -3.065 0.897 -4.315) 5.368 10.493 ( 2.365 5.697 -3.399) 7.043 10.634 ( 2.568 -1.986 -2.435) 4.059 10.806 ( -2.175 8.916 7.953) 12.144 10.996 ( -0.787 -6.634 1.416) 6.829 11.646 ( -4.337 -4.959 15.086) 16.462 12.443 ( -2.015 -6.566 -1.136) 6.961 12.605 ( -1.647 -4.165 -4.373) 6.259 12.934 ( -4.549 2.348 -1.810) 5.430 13.210 ( 0.754 -3.864 2.755) 4.805 13.526 ( 7.320 7.588 -12.725) 16.525 13.920 ( 5.245 -3.870 -3.110) 7.222 14.453 ( 1.612 0.097 -2.699) 3.145 14.525 ( 0.864 0.123 -4.360) 4.447 14.790 ( -0.414 1.030 -2.955) 3.156 14.940 ( -6.082 -0.550 -7.341) 9.548 15.459 ( -6.452 6.376 0.241) 9.074 15.683 ( 4.763 2.149 3.768) 6.443 15.744 ( 3.955 -2.626 1.937) 5.127 16.204 ( 3.685 -8.174 -2.027) 9.192 16.736 ( -0.070 7.356 -0.866) 7.407 17.091 ( -2.472 -4.431 -2.258) 5.554 18.236 ( 1.430 1.936 -1.482) 2.826 18.336 ( 0.440 0.298 2.184) 2.248 18.697 ( -0.042 1.129 1.417) 1.812 18.896 ( -6.043 -4.601 -1.097) 7.674 19.043 ( 1.327 12.587 -5.188) 13.679 19.571 ( 2.883 -4.578 -2.598) 6.002 19.960 ( -0.582 8.930 0.529) 8.965 20.481 ( 2.934 -7.619 -2.167) 8.447 22.137 ( -0.468 -1.313 2.177) 2.585 22.237 ( -1.637 -2.246 2.312) 3.615 22.531 ( 2.077 8.273 0.481) 8.543 22.780 ( 2.174 10.662 -7.777) 13.375 23.172 ( 3.334 -5.836 -2.183) 7.067 23.174 ( 2.884 -2.519 -2.256) 4.444 25.514 ( 0.301 0.411 1.605) 1.683 25.543 ( 0.350 1.426 1.996) 2.478 25.770 ( -0.502 -0.150 1.325) 1.425 25.865 ( 1.325 -1.809 -1.520) 2.709 26.072 ( 3.347 -3.873 3.805) 6.378 26.133 ( 3.725 -5.843 5.870) 9.082 26.554 ( -3.339 0.061 3.096) 4.554 26.631 ( -9.288 -5.701 -0.950) 10.939 26.834 ( -2.795 5.121 1.066) 5.930 27.070 ( -3.107 2.391 -3.149) 5.029 27.300 ( -2.334 7.974 -2.308) 8.623 27.632 ( -4.454 -2.754 -4.692) 7.031 ======================= Grid point 84 (48/96) ======================= q-point: ( 0.00 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 9.898 19.063 14.982) 26.188 1.798 ( -4.548 3.551 17.248) 18.187 1.859 ( 8.751 0.466 14.883) 17.271 2.195 ( 4.961 2.381 17.355) 18.207 2.377 ( 2.266 -1.399 11.634) 11.934 2.612 ( -2.894 1.610 -0.315) 3.327 2.682 ( -3.333 -16.464 6.145) 17.886 2.875 ( 0.775 -20.696 4.971) 21.299 3.178 ( 4.531 10.374 1.411) 11.408 3.333 ( 4.528 3.082 4.638) 7.177 3.440 ( 0.642 -4.524 1.082) 4.696 3.592 ( -0.046 -10.175 4.548) 11.146 3.790 ( -1.307 3.101 1.239) 3.586 3.893 ( -2.572 -6.219 -1.405) 6.875 4.143 ( -1.409 6.916 -2.026) 7.343 4.258 ( 0.289 -4.387 0.431) 4.418 4.696 ( -3.596 9.757 15.202) 18.418 4.868 ( -4.126 -5.069 13.665) 15.147 5.091 ( 4.860 10.206 9.273) 14.621 5.210 ( 1.916 -0.518 16.281) 16.401 5.268 ( 0.313 0.771 6.762) 6.813 5.324 ( 5.960 -0.616 8.452) 10.360 5.508 ( -5.835 11.521 -1.264) 12.976 5.733 ( 0.242 6.563 5.383) 8.491 5.734 ( -2.164 -2.858 -5.355) 6.444 5.902 ( -0.162 -6.588 -1.742) 6.817 6.233 ( -6.210 3.205 -3.384) 7.764 6.293 ( 0.148 -0.019 2.238) 2.243 6.411 ( 2.706 0.826 3.993) 4.894 6.480 ( 1.259 -4.918 0.972) 5.169 6.584 ( 1.137 14.244 0.893) 14.318 6.963 ( -2.611 -18.021 -5.633) 19.060 7.182 ( 2.310 8.707 -5.726) 10.674 7.403 ( 1.502 -10.809 -8.234) 13.671 7.529 ( -5.296 10.215 -2.722) 11.824 7.734 ( -3.217 -9.468 -4.570) 10.994 7.896 ( 6.670 -2.360 -0.268) 7.080 7.918 ( 9.608 -2.942 -0.620) 10.067 8.484 ( -10.322 1.638 -0.733) 10.477 8.531 ( -10.362 -2.830 -0.690) 10.764 8.925 ( -6.453 5.552 5.630) 10.206 9.004 ( -8.464 -1.238 -1.590) 8.701 9.055 ( 1.407 4.873 -1.417) 5.266 9.146 ( 3.313 -3.653 -6.575) 8.219 9.487 ( -6.289 7.288 -1.390) 9.726 9.638 ( -0.381 -8.360 2.276) 8.673 10.035 ( 2.483 7.471 4.165) 8.906 10.190 ( -0.762 -6.288 1.563) 6.525 10.332 ( 1.580 5.178 -3.464) 6.427 10.450 ( -1.482 -5.773 -4.412) 7.416 10.795 ( 6.540 4.740 1.173) 8.162 10.881 ( 6.614 -4.399 0.989) 8.005 11.152 ( 1.839 14.480 13.026) 19.563 11.442 ( -0.856 -13.182 13.048) 18.567 12.381 ( 0.779 3.037 -0.127) 3.138 12.487 ( 1.205 -6.169 -3.181) 7.044 13.004 ( 1.247 6.183 0.025) 6.307 13.125 ( 0.363 -5.834 1.504) 6.035 13.705 ( 1.515 5.993 -10.777) 12.424 13.832 ( -0.319 -6.851 -7.802) 10.389 14.449 ( -1.510 2.579 -2.942) 4.194 14.496 ( -1.990 -1.333 -2.350) 3.355 14.708 ( -4.533 -0.221 -9.330) 10.375 14.728 ( -7.694 -1.348 -8.052) 11.219 15.667 ( 4.579 9.372 2.485) 10.723 15.787 ( 4.694 -3.663 3.177) 6.749 15.885 ( 4.821 6.682 2.953) 8.753 16.071 ( 3.461 -10.873 -0.380) 11.417 16.866 ( -0.743 7.269 -0.281) 7.312 16.989 ( 0.148 -5.002 0.563) 5.036 18.292 ( -0.413 2.696 -0.684) 2.812 18.343 ( -0.240 -1.998 0.597) 2.099 18.675 ( -1.807 1.295 -2.178) 3.112 18.722 ( -1.303 -3.176 -0.653) 3.494 19.322 ( 3.161 8.017 -2.867) 9.082 19.471 ( 0.445 -6.969 -3.793) 7.947 20.149 ( 1.596 9.855 -1.464) 10.091 20.343 ( 2.897 -10.038 -2.101) 10.656 22.133 ( -0.273 0.924 2.484) 2.664 22.168 ( -0.693 -2.405 2.401) 3.468 22.745 ( 0.260 10.336 -1.509) 10.449 22.918 ( -0.873 -1.914 -6.506) 6.838 23.056 ( -1.478 -0.561 -3.902) 4.211 23.129 ( -1.857 -3.547 -4.916) 6.339 25.543 ( -0.238 1.115 2.518) 2.764 25.563 ( -0.635 -0.491 2.591) 2.713 25.779 ( 0.215 2.227 0.584) 2.312 25.835 ( 1.091 -3.052 -0.379) 3.263 26.026 ( -3.300 0.235 4.276) 5.406 26.061 ( -0.651 -2.715 2.507) 3.753 26.530 ( 1.398 1.155 2.907) 3.426 26.569 ( 3.740 -2.914 3.235) 5.740 26.942 ( 1.734 5.131 0.102) 5.417 27.029 ( 1.613 -3.425 -1.627) 4.121 27.421 ( -0.654 6.143 -1.996) 6.492 27.510 ( -1.837 -3.169 -1.798) 4.081 ======================= Grid point 85 (49/96) ======================= q-point: ( 0.14 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 2.808 16.054 18.576) 24.712 1.828 ( 3.384 9.448 14.946) 18.003 2.042 ( 6.014 -9.322 9.738) 14.761 2.265 ( -4.083 -17.488 0.407) 17.963 2.496 ( -0.384 4.616 1.767) 4.958 2.650 ( 13.918 8.523 11.310) 19.856 2.744 ( 5.776 -5.710 10.288) 13.107 3.025 ( 10.011 -15.933 3.863) 19.210 3.265 ( 2.592 7.548 2.070) 8.245 3.434 ( 2.188 7.196 6.919) 10.220 3.445 ( -2.310 -7.998 0.694) 8.353 3.630 ( 1.728 -6.393 5.028) 8.315 3.775 ( 0.155 1.067 3.767) 3.918 3.831 ( -1.799 -4.225 -2.118) 5.057 4.134 ( 0.823 6.511 -0.002) 6.562 4.267 ( -0.574 -6.604 0.813) 6.679 4.687 ( -3.430 8.727 15.014) 17.702 4.824 ( -4.111 -3.241 11.673) 12.793 5.085 ( -9.380 4.010 5.772) 11.721 5.216 ( -5.048 7.566 4.237) 10.034 5.314 ( 0.485 2.383 6.813) 7.234 5.444 ( 5.996 5.900 13.321) 15.755 5.548 ( 2.241 -0.851 9.039) 9.351 5.625 ( -1.723 11.910 -4.202) 12.746 5.700 ( 1.089 -9.473 3.334) 10.102 5.874 ( -5.371 -8.997 -0.810) 10.509 6.165 ( 0.682 11.499 -3.400) 12.010 6.324 ( 0.157 2.341 -4.574) 5.141 6.407 ( -6.111 4.830 2.541) 8.193 6.532 ( 7.383 -1.074 5.739) 9.413 6.642 ( 0.371 -6.173 8.170) 10.247 6.783 ( -10.840 -17.252 -4.428) 20.851 7.116 ( -7.859 5.611 -7.545) 12.254 7.181 ( -15.821 0.799 -9.007) 18.223 7.541 ( -0.182 3.173 -4.100) 5.188 7.657 ( 2.172 -7.952 -1.879) 8.455 7.958 ( -5.342 -0.121 -2.244) 5.795 7.988 ( -3.763 -2.658 -3.319) 5.678 8.390 ( 3.824 0.542 4.230) 5.728 8.447 ( 4.312 -4.743 3.916) 7.512 8.837 ( -3.045 3.071 -6.440) 7.757 8.885 ( -2.158 -0.877 -7.595) 7.944 9.097 ( 3.482 6.047 2.528) 7.422 9.201 ( 2.165 -2.714 6.779) 7.616 9.471 ( 5.037 10.363 -3.962) 12.184 9.676 ( 3.160 -9.453 0.386) 9.974 10.055 ( -2.196 2.424 2.496) 4.114 10.128 ( -3.761 -3.838 -0.001) 5.374 10.436 ( 8.048 -0.376 -2.710) 8.500 10.447 ( 3.127 -1.680 -2.299) 4.229 10.886 ( 2.156 7.024 1.090) 7.428 10.991 ( 3.947 -3.756 -0.023) 5.449 11.293 ( 6.660 10.543 12.134) 17.399 11.507 ( 2.376 -9.311 11.404) 14.913 12.421 ( 2.728 2.765 0.839) 3.974 12.519 ( 2.935 -5.797 -2.391) 6.924 13.051 ( 3.558 4.853 -1.210) 6.138 13.141 ( 0.983 -3.951 0.890) 4.167 13.657 ( -2.130 4.202 -10.677) 11.670 13.754 ( -4.138 -5.837 -8.112) 10.817 14.374 ( -5.301 2.785 -2.897) 6.652 14.417 ( -4.960 -0.969 -1.800) 5.365 14.594 ( -1.276 2.113 -8.384) 8.740 14.650 ( 0.850 -3.259 -4.746) 5.820 15.772 ( 4.334 7.339 2.507) 8.884 15.869 ( 2.158 -2.896 2.791) 4.564 15.965 ( 2.661 5.117 0.195) 5.771 16.113 ( 1.228 -8.938 -2.628) 9.397 16.856 ( -0.227 8.294 1.370) 8.409 17.001 ( 0.604 -5.886 0.886) 5.983 18.267 ( -1.377 2.476 -1.773) 3.342 18.332 ( -0.669 -3.601 -0.162) 3.666 18.669 ( 2.038 3.633 -1.713) 4.504 18.739 ( 2.429 -2.811 -0.435) 3.741 19.355 ( 1.230 2.941 -2.337) 3.953 19.436 ( -2.218 -4.873 -4.314) 6.876 20.191 ( 3.059 11.044 -2.197) 11.669 20.409 ( 4.604 -11.167 -3.980) 12.718 22.144 ( 0.279 0.520 3.144) 3.199 22.169 ( -0.182 -1.791 2.601) 3.163 22.725 ( -1.490 8.646 -1.434) 8.890 22.838 ( -4.201 3.529 -5.355) 7.667 22.981 ( -4.742 -4.480 -2.273) 6.909 23.033 ( -5.698 -4.117 -3.992) 8.084 25.538 ( -1.010 0.826 2.211) 2.567 25.554 ( -1.045 -0.504 2.448) 2.709 25.787 ( 0.182 2.954 0.463) 2.996 25.846 ( -0.278 -2.413 -0.326) 2.451 25.977 ( -2.307 2.658 4.126) 5.423 26.046 ( -1.456 -3.839 2.692) 4.910 26.607 ( 4.623 2.467 2.855) 5.968 26.672 ( 4.325 -3.969 3.251) 6.711 27.001 ( 3.374 4.583 0.249) 5.696 27.095 ( 5.695 -4.895 -3.487) 8.279 27.424 ( 1.858 3.832 -2.542) 4.959 27.481 ( -0.246 -2.000 -1.494) 2.508 ======================= Grid point 86 (50/96) ======================= q-point: ( 0.29 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 6.419 13.191 15.025) 20.999 1.930 ( 0.073 6.070 4.921) 7.815 2.121 ( -4.367 -19.757 2.994) 20.454 2.137 ( -0.342 -12.797 2.925) 13.131 2.616 ( 7.717 9.397 4.333) 12.909 2.854 ( 4.904 -9.723 6.691) 12.781 2.953 ( 7.975 16.735 2.624) 18.723 3.202 ( 5.287 -6.322 0.395) 8.251 3.280 ( -0.644 -1.279 1.079) 1.793 3.336 ( -7.443 -7.814 0.329) 10.797 3.497 ( 2.248 7.291 10.757) 13.188 3.665 ( 1.405 -6.313 3.821) 7.512 3.808 ( 1.177 1.970 1.150) 2.566 3.840 ( 1.203 0.099 5.161) 5.300 4.164 ( 1.471 1.822 -0.123) 2.345 4.224 ( -3.510 -2.819 0.751) 4.564 4.613 ( -8.029 8.965 8.726) 14.865 4.793 ( -5.443 -8.088 10.261) 14.154 4.975 ( -0.266 8.467 4.831) 9.752 5.119 ( -2.995 3.974 3.214) 5.924 5.285 ( -6.809 1.004 6.857) 9.716 5.491 ( -2.722 -4.754 -1.662) 5.725 5.611 ( 2.212 7.062 3.683) 8.266 5.706 ( 0.330 10.071 10.860) 14.815 5.730 ( -2.223 -5.336 3.523) 6.770 5.819 ( 0.413 0.870 3.805) 3.925 6.173 ( -0.058 -1.946 -2.491) 3.162 6.232 ( -2.709 11.868 4.850) 13.104 6.313 ( -2.483 -9.865 -8.471) 13.238 6.487 ( -12.121 -10.106 3.213) 16.106 6.675 ( 0.073 0.055 2.403) 2.405 6.774 ( 2.448 -4.700 8.543) 10.053 6.851 ( -12.044 1.861 -6.144) 13.648 6.910 ( -2.474 -4.357 3.174) 5.931 7.526 ( 0.891 11.466 0.387) 11.507 7.741 ( 3.393 -6.973 -1.482) 7.895 7.787 ( -7.299 3.065 -4.744) 9.229 7.884 ( -2.551 -8.275 -1.786) 8.841 8.437 ( -2.947 2.174 -7.732) 8.555 8.515 ( -1.791 -4.917 -6.818) 8.595 8.854 ( 9.148 3.468 -0.058) 9.784 8.929 ( 7.540 -3.312 -0.166) 8.237 9.199 ( 3.436 7.341 9.393) 12.407 9.281 ( 2.462 3.334 13.780) 14.389 9.566 ( 4.935 5.439 -6.180) 9.598 9.739 ( 3.291 -8.275 -2.058) 9.140 10.015 ( -1.377 -0.603 2.467) 2.889 10.081 ( -1.025 -7.710 1.987) 8.028 10.538 ( 5.952 2.604 -3.546) 7.402 10.573 ( 6.518 -0.678 -5.187) 8.358 10.891 ( -1.565 7.582 0.107) 7.742 11.029 ( 0.101 -5.378 -0.924) 5.458 11.440 ( 3.358 8.373 7.950) 12.025 11.591 ( 2.233 -5.315 7.184) 9.211 12.480 ( 2.766 2.701 1.246) 4.062 12.582 ( 3.844 -6.561 -0.460) 7.618 13.116 ( 3.692 3.430 -4.308) 6.630 13.174 ( 2.500 -1.811 -1.129) 3.287 13.559 ( -3.710 3.046 -10.301) 11.365 13.634 ( -4.889 -4.752 -7.593) 10.204 14.269 ( -3.203 2.967 -2.479) 5.021 14.318 ( -3.544 -1.580 -0.561) 3.920 14.609 ( 3.928 4.655 -2.443) 6.563 14.692 ( 4.037 -3.306 0.107) 5.219 15.826 ( 0.341 3.630 0.171) 3.650 15.881 ( -1.504 -1.818 0.072) 2.361 15.989 ( 0.223 3.583 -2.509) 4.380 16.099 ( -1.181 -6.994 -5.272) 8.838 16.867 ( 0.533 8.478 2.390) 8.824 17.015 ( 0.596 -5.963 0.201) 5.996 18.236 ( -1.028 2.851 -1.296) 3.296 18.316 ( -1.109 -4.569 0.265) 4.709 18.729 ( 4.166 4.403 -0.844) 6.120 18.802 ( 4.151 -2.844 -0.638) 5.072 19.355 ( -0.446 -0.867 -3.044) 3.196 19.370 ( -2.394 -2.370 -3.486) 4.848 20.242 ( 2.877 12.330 -3.156) 13.048 20.475 ( 3.377 -11.155 -5.901) 13.063 22.166 ( 0.645 0.329 3.775) 3.844 22.182 ( 0.630 -1.053 2.877) 3.128 22.690 ( -1.370 6.518 -0.907) 6.721 22.747 ( -3.186 7.046 -2.786) 8.220 22.869 ( -5.630 -7.169 -1.258) 9.202 22.909 ( -4.955 -5.146 -2.200) 7.475 25.525 ( -0.959 0.740 1.547) 1.965 25.541 ( -1.090 -0.700 1.948) 2.339 25.785 ( -0.513 2.656 0.285) 2.720 25.825 ( -1.378 -0.720 -0.030) 1.555 25.967 ( -0.631 2.223 3.790) 4.439 26.033 ( -0.945 -3.686 2.917) 4.795 26.702 ( 3.605 2.120 2.268) 4.758 26.746 ( 2.087 -2.089 3.345) 4.462 27.053 ( 1.682 6.061 0.158) 6.292 27.182 ( 3.835 -6.530 -4.590) 8.855 27.455 ( 1.840 2.679 -2.648) 4.192 27.518 ( 5.062 -3.547 -3.092) 6.911 ======================= Grid point 87 (51/96) ======================= q-point: ( 0.43 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( -9.779 0.909 -2.342) 10.096 1.932 ( -10.050 -15.178 -5.459) 19.005 2.018 ( 4.621 10.250 11.341) 15.970 2.291 ( 5.735 -14.637 11.035) 19.207 2.632 ( -6.916 10.081 1.285) 12.293 2.842 ( -4.150 -1.659 0.579) 4.506 3.097 ( -4.341 1.603 -4.512) 6.463 3.156 ( -3.373 -8.146 1.679) 8.975 3.212 ( 2.368 5.534 -0.050) 6.020 3.322 ( 0.691 -3.200 2.460) 4.095 3.555 ( -2.684 10.251 7.058) 12.731 3.720 ( 2.216 -2.884 5.177) 6.327 3.871 ( 6.076 6.487 4.757) 10.081 3.936 ( 6.101 0.844 7.844) 9.973 4.129 ( -3.428 -0.406 -2.116) 4.049 4.232 ( 3.977 -6.355 5.610) 9.364 4.495 ( -6.089 4.825 1.911) 8.001 4.693 ( -6.926 -9.436 7.665) 13.991 5.047 ( 3.010 3.335 7.331) 8.597 5.118 ( -6.164 -3.965 7.857) 10.745 5.167 ( 0.725 13.102 -1.655) 13.226 5.384 ( -8.233 -4.928 -5.409) 11.015 5.563 ( -4.906 3.710 -4.225) 7.463 5.599 ( -5.381 4.314 4.675) 8.332 5.722 ( -11.134 0.965 8.228) 13.878 5.777 ( -2.065 0.367 6.316) 6.655 6.058 ( -3.521 4.935 2.657) 6.619 6.198 ( -5.910 -9.625 -5.311) 12.481 6.351 ( 0.183 -1.937 3.446) 3.957 6.443 ( 4.080 -7.424 4.681) 9.678 6.618 ( 2.953 5.779 0.563) 6.515 6.727 ( 6.138 -1.999 0.829) 6.508 6.925 ( 6.267 1.562 9.861) 11.788 7.027 ( 4.396 -7.390 9.725) 12.981 7.552 ( 0.195 12.887 0.728) 12.909 7.679 ( -1.776 7.342 -3.389) 8.279 7.767 ( 2.368 -4.356 -0.823) 5.026 7.917 ( 4.047 -14.138 3.989) 15.237 8.294 ( -5.627 3.888 -12.115) 13.913 8.390 ( -5.201 -5.244 -12.080) 14.159 9.028 ( 0.362 5.816 1.475) 6.011 9.073 ( 9.339 -0.080 3.421) 9.947 9.305 ( 4.462 2.235 9.558) 10.782 9.379 ( 1.084 0.071 14.378) 14.419 9.636 ( 5.793 4.990 -1.989) 7.900 9.793 ( 2.902 -6.744 -0.277) 7.347 10.023 ( 0.426 -0.105 1.703) 1.759 10.092 ( 0.104 -7.420 3.220) 8.089 10.600 ( 1.175 2.714 -5.406) 6.162 10.627 ( 0.960 0.203 -6.894) 6.963 10.844 ( -2.319 6.819 -2.596) 7.656 10.997 ( -2.502 -7.157 -2.296) 7.921 11.457 ( -3.534 9.900 3.837) 11.190 11.628 ( -0.843 -5.987 4.343) 7.444 12.536 ( 2.233 3.109 1.783) 4.222 12.649 ( 2.397 -7.339 1.056) 7.792 13.153 ( 1.844 3.134 -7.270) 8.128 13.215 ( 1.578 -2.565 -4.076) 5.068 13.454 ( -2.584 3.726 -9.731) 10.736 13.532 ( -1.464 -4.185 -6.449) 7.826 14.253 ( 1.763 3.801 0.710) 4.250 14.300 ( 1.521 -1.458 1.743) 2.735 14.709 ( 6.028 5.964 2.141) 8.746 14.801 ( 6.322 -2.822 2.970) 7.533 15.792 ( -2.867 1.128 -2.761) 4.137 15.818 ( -4.060 -0.986 -3.111) 5.209 15.950 ( -3.029 2.101 -4.279) 5.648 16.035 ( -2.744 -6.349 -6.986) 9.831 16.885 ( 0.195 8.393 2.120) 8.659 17.025 ( 0.515 -5.482 -0.603) 5.539 18.221 ( -0.145 2.696 -0.570) 2.759 18.291 ( -1.377 -4.157 0.488) 4.406 18.807 ( 3.559 3.609 -0.208) 5.072 18.884 ( 3.755 -4.190 0.369) 5.639 19.313 ( -0.920 -0.016 -3.761) 3.872 19.338 ( -0.940 -2.301 -2.972) 3.875 20.269 ( 1.081 12.255 -4.007) 12.938 20.480 ( -0.651 -9.005 -6.498) 11.124 22.191 ( 0.239 1.202 4.002) 4.186 22.217 ( 1.465 -0.987 3.571) 3.983 22.651 ( -2.938 4.563 -1.392) 5.603 22.717 ( 1.842 7.707 -0.415) 7.935 22.777 ( -2.737 -7.903 -0.951) 8.418 22.858 ( 0.689 -5.782 -1.032) 5.914 25.514 ( -0.581 0.486 1.137) 1.367 25.526 ( -0.997 -0.600 1.412) 1.830 25.775 ( -0.474 1.993 0.202) 2.058 25.803 ( -0.690 -0.457 0.009) 0.828 25.969 ( -0.754 2.340 3.866) 4.581 26.028 ( -0.675 -3.186 2.944) 4.390 26.747 ( 0.100 1.775 1.562) 2.367 26.782 ( 0.211 -1.619 3.612) 3.964 27.066 ( -0.306 6.757 -0.068) 6.765 27.205 ( 0.409 -6.714 -4.736) 8.227 27.485 ( 1.956 5.388 -2.482) 6.246 27.610 ( 4.796 -7.504 -4.803) 10.119 ======================= Grid point 88 (52/96) ======================= q-point: (-0.43 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -14.059 2.008 -2.243) 14.378 1.695 ( -11.529 -11.949 -3.498) 16.968 2.014 ( -8.057 5.438 3.499) 10.331 2.281 ( -10.346 -16.524 2.547) 19.661 2.569 ( 1.946 11.116 10.017) 15.089 2.795 ( -1.168 -7.413 5.992) 9.603 2.907 ( -9.089 5.221 -4.341) 11.345 3.041 ( -5.663 -9.649 -1.091) 11.241 3.326 ( 1.349 5.854 1.787) 6.268 3.365 ( 3.857 -1.292 2.333) 4.689 3.454 ( -6.392 14.223 1.574) 15.673 3.741 ( -3.655 -10.737 5.051) 12.417 3.970 ( -2.499 6.774 4.914) 8.734 4.056 ( -2.713 3.677 -1.880) 4.941 4.117 ( 10.005 5.480 5.805) 12.799 4.335 ( -1.598 14.282 7.049) 16.007 4.458 ( 3.777 -18.273 5.224) 19.377 4.613 ( -0.430 -12.304 9.273) 15.413 5.015 ( -3.838 5.166 1.744) 6.668 5.077 ( -7.115 1.078 -3.112) 7.840 5.144 ( -5.006 4.208 -1.264) 6.661 5.234 ( 2.881 -4.094 0.494) 5.031 5.441 ( -5.224 4.907 2.872) 7.721 5.546 ( -6.958 -4.867 3.897) 9.343 5.616 ( 3.192 9.300 13.224) 16.479 5.818 ( 3.467 -8.739 7.980) 12.332 6.030 ( 0.636 5.961 1.100) 6.095 6.145 ( -0.055 -3.750 1.312) 3.973 6.353 ( -0.001 -1.820 -0.780) 1.980 6.447 ( 0.090 -7.611 0.184) 7.613 6.743 ( 4.299 9.935 1.232) 10.895 6.920 ( 4.628 -6.198 -1.325) 7.848 7.063 ( 2.022 4.934 5.176) 7.431 7.137 ( 9.694 -0.130 5.549) 11.170 7.537 ( 0.476 5.723 -0.429) 5.759 7.637 ( -2.395 -0.658 -4.180) 4.862 7.918 ( 9.507 0.645 5.832) 11.172 7.994 ( 1.147 -4.731 -0.791) 4.931 8.217 ( 1.695 -0.654 -3.723) 4.142 8.273 ( -0.105 -4.635 -5.602) 7.272 8.993 ( -3.160 11.270 2.247) 11.918 9.194 ( 2.334 -8.459 2.532) 9.133 9.390 ( -0.264 0.946 7.457) 7.522 9.426 ( -0.125 -1.594 10.901) 11.018 9.808 ( 9.957 3.450 2.366) 10.800 9.843 ( 1.702 1.523 -0.369) 2.314 10.002 ( -3.811 -1.447 1.390) 4.307 10.068 ( -3.351 -6.247 1.109) 7.175 10.545 ( -3.571 2.779 -5.842) 7.390 10.586 ( -1.835 -0.355 -5.277) 5.598 10.778 ( -3.607 4.998 -5.558) 8.300 10.916 ( -4.782 -7.711 -3.091) 9.585 11.355 ( -7.261 13.266 2.559) 15.338 11.593 ( -4.163 -9.545 5.117) 11.603 12.560 ( -0.849 2.768 0.889) 3.028 12.659 ( -1.766 -6.066 -1.090) 6.411 13.117 ( -2.550 1.279 -6.099) 6.733 13.171 ( -3.499 -3.841 -4.746) 7.037 13.446 ( 5.566 6.970 -8.354) 12.221 13.569 ( 6.652 -5.222 -5.480) 10.077 14.325 ( 4.472 4.042 2.293) 6.449 14.372 ( 4.401 -1.708 1.836) 5.065 14.839 ( 5.412 7.285 3.762) 9.824 14.939 ( 5.921 -2.370 2.878) 6.997 15.714 ( -3.345 0.035 -4.525) 5.627 15.717 ( -4.287 0.053 -4.124) 5.949 15.848 ( -5.291 2.528 -4.777) 7.564 15.959 ( -1.937 -8.332 -6.852) 10.960 16.888 ( -0.372 8.133 1.029) 8.206 17.028 ( -0.030 -5.798 -1.029) 5.888 18.229 ( 1.094 2.229 -0.302) 2.502 18.277 ( -0.145 -2.907 0.859) 3.034 18.848 ( 0.353 3.467 -0.401) 3.508 18.930 ( 0.356 -4.372 1.533) 4.646 19.289 ( -1.184 1.090 -4.150) 4.451 19.325 ( 1.903 -2.859 -3.078) 4.612 20.250 ( -1.436 10.515 -4.426) 11.499 20.415 ( -3.190 -6.414 -4.829) 8.639 22.193 ( -1.464 2.075 3.204) 4.088 22.243 ( -0.720 -2.244 3.481) 4.203 22.612 ( 0.362 7.264 -0.397) 7.284 22.760 ( 1.899 -2.512 -1.552) 3.511 22.812 ( 6.769 -0.309 -0.132) 6.777 22.915 ( 5.118 -5.367 -1.393) 7.545 25.513 ( -0.022 0.092 1.150) 1.154 25.515 ( -0.443 -0.167 1.339) 1.421 25.772 ( 0.097 1.501 0.160) 1.512 25.800 ( 0.322 -1.037 -0.233) 1.110 25.968 ( -0.749 2.690 4.477) 5.276 26.027 ( -0.468 -2.958 2.955) 4.207 26.721 ( -3.248 2.025 1.561) 4.133 26.770 ( -2.859 -2.779 2.745) 4.840 27.044 ( -1.830 6.329 -0.349) 6.598 27.172 ( -1.916 -6.201 -4.613) 7.962 27.503 ( 0.665 6.701 -2.596) 7.217 27.651 ( 1.060 -8.544 -5.029) 9.971 ======================= Grid point 89 (53/96) ======================= q-point: (-0.29 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( -10.510 11.984 2.141) 16.083 1.530 ( -4.526 -4.470 6.690) 9.231 1.843 ( -7.590 -5.109 4.012) 9.990 2.101 ( -6.707 -19.315 6.140) 21.348 2.646 ( -1.813 10.184 10.061) 14.430 2.712 ( -8.963 9.925 0.418) 13.380 2.817 ( -0.976 -7.560 9.114) 11.882 2.949 ( -4.077 -11.839 1.511) 12.612 3.225 ( -8.303 17.251 -0.753) 19.160 3.364 ( -1.018 6.435 0.372) 6.526 3.503 ( 4.237 -5.585 2.245) 7.361 3.598 ( -9.592 -17.700 -0.609) 20.141 3.891 ( -6.358 3.276 4.713) 8.566 3.984 ( -3.927 -5.892 1.438) 7.225 4.227 ( -1.456 5.011 0.127) 5.220 4.282 ( 0.654 2.088 -3.746) 4.338 4.639 ( 8.484 4.523 19.550) 21.786 4.736 ( 1.867 1.823 18.028) 18.216 4.877 ( -4.812 3.868 1.485) 6.350 5.020 ( 2.569 -2.503 -1.940) 4.077 5.119 ( 1.774 7.836 0.538) 8.052 5.294 ( -1.089 -5.049 0.345) 5.176 5.437 ( 1.686 -0.232 6.301) 6.527 5.498 ( 3.266 -5.532 10.146) 12.008 5.769 ( 5.979 3.634 3.883) 8.002 5.885 ( 0.591 -9.301 1.261) 9.404 6.097 ( 4.022 8.150 5.836) 10.801 6.169 ( 1.918 4.293 4.540) 6.536 6.389 ( 4.340 -1.179 0.896) 4.585 6.504 ( 3.964 -7.070 -1.504) 8.244 6.746 ( -1.531 3.768 -1.294) 4.268 6.866 ( -6.142 -6.867 -0.327) 9.218 7.069 ( 0.040 17.384 -6.632) 18.606 7.359 ( 8.612 -5.839 -3.796) 11.075 7.564 ( -1.561 1.833 -0.104) 2.410 7.620 ( 5.789 -2.258 1.149) 6.319 7.893 ( -3.800 2.271 -9.235) 10.241 8.013 ( -4.563 -9.354 -7.762) 12.983 8.350 ( 13.389 3.854 7.895) 16.013 8.442 ( 10.663 -4.394 5.866) 12.939 8.958 ( -1.813 12.595 7.776) 14.912 9.208 ( -2.495 -11.421 6.725) 13.487 9.348 ( -6.153 1.973 4.425) 7.832 9.426 ( -3.803 -4.455 0.558) 5.884 9.765 ( -7.282 6.831 -0.459) 9.995 9.854 ( -10.046 -2.169 -0.913) 10.318 9.983 ( 2.683 2.472 -0.885) 3.754 10.072 ( 5.321 -4.228 1.901) 7.057 10.466 ( -2.701 3.653 -3.976) 6.037 10.534 ( -1.288 -1.702 -4.619) 5.089 10.668 ( -4.313 4.426 -4.887) 7.879 10.806 ( -4.649 -8.778 -1.192) 10.005 11.224 ( -6.963 15.721 4.826) 17.859 11.519 ( -5.478 -12.859 8.083) 16.146 12.498 ( -4.864 2.666 -1.703) 5.802 12.585 ( -4.025 -4.951 -3.748) 7.400 13.046 ( -2.632 1.611 -2.548) 4.002 13.112 ( -0.953 -4.488 -0.677) 4.638 13.562 ( 8.252 7.719 -9.081) 14.496 13.701 ( 7.996 -6.131 -5.942) 11.697 14.422 ( 4.209 2.454 0.825) 4.942 14.459 ( 3.701 -1.620 0.016) 4.040 14.908 ( 0.082 6.896 0.322) 6.904 15.007 ( -0.422 -2.666 -1.214) 2.959 15.638 ( -1.961 1.612 -3.573) 4.383 15.664 ( -0.189 -0.844 -2.120) 2.289 15.741 ( -2.831 6.684 -2.162) 7.574 15.935 ( 1.791 -11.670 -3.558) 12.331 16.882 ( -0.249 7.403 -0.089) 7.408 17.016 ( -0.719 -6.161 -1.214) 6.320 18.256 ( 1.595 2.256 -0.093) 2.764 18.295 ( 1.392 -1.721 1.536) 2.694 18.816 ( -3.218 4.367 -0.360) 5.437 18.902 ( -3.713 -4.333 0.873) 5.773 19.252 ( -0.165 6.152 -4.858) 7.841 19.377 ( 3.988 -6.550 -2.798) 8.163 20.193 ( -2.495 9.366 -3.417) 10.277 20.347 ( -2.098 -6.582 -2.478) 7.339 22.165 ( -2.040 1.827 2.083) 3.441 22.216 ( -2.521 -3.041 2.635) 4.748 22.659 ( 3.603 9.837 -0.114) 10.476 22.822 ( 4.927 -2.420 -2.614) 6.080 22.954 ( 7.174 -1.011 -1.873) 7.483 23.028 ( 6.609 -4.439 -2.317) 8.292 25.516 ( 0.190 0.627 1.475) 1.614 25.528 ( 0.801 -0.432 1.892) 2.099 25.777 ( 0.232 1.231 0.178) 1.265 25.810 ( 0.744 -1.895 -0.724) 2.161 25.980 ( 0.458 2.226 5.396) 5.855 26.035 ( 0.262 -2.937 3.114) 4.289 26.640 ( -5.212 1.387 1.681) 5.649 26.687 ( -6.207 -3.581 1.318) 7.286 26.995 ( -2.813 5.782 -0.518) 6.451 27.104 ( -3.167 -4.967 -3.492) 6.848 27.490 ( -0.930 6.700 -2.582) 7.240 27.621 ( -2.025 -6.785 -4.036) 8.150 ======================= Grid point 90 (54/96) ======================= q-point: (-0.14 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 5.450 22.188 11.005) 25.360 1.595 ( 7.138 3.932 17.600) 19.395 1.791 ( -1.567 -9.773 11.308) 15.028 2.117 ( 3.886 -22.554 12.603) 26.127 2.411 ( -15.581 22.511 11.946) 29.870 2.677 ( -2.782 1.583 -0.800) 3.299 2.787 ( -5.670 -10.284 5.476) 12.958 2.892 ( -3.249 -16.740 8.309) 18.969 3.132 ( -0.714 11.081 -0.771) 11.131 3.300 ( -3.304 4.407 1.171) 5.631 3.459 ( -2.813 -11.271 -1.348) 11.695 3.575 ( 1.113 -10.878 2.687) 11.260 3.807 ( -2.444 3.924 2.638) 5.323 3.933 ( -1.843 -7.854 0.771) 8.104 4.189 ( -1.693 6.241 -2.953) 7.109 4.271 ( -1.281 -0.619 -0.516) 1.514 4.714 ( -4.164 9.513 16.780) 19.734 4.850 ( 2.470 11.964 8.661) 14.975 4.937 ( 4.259 -5.665 21.764) 22.888 5.112 ( 4.726 -1.985 3.943) 6.467 5.177 ( 3.740 6.076 4.458) 8.413 5.264 ( -0.740 -2.755 1.951) 3.456 5.557 ( 8.310 2.783 6.777) 11.079 5.600 ( -0.854 4.168 6.580) 7.835 5.821 ( -1.250 -4.084 -5.852) 7.245 5.881 ( 2.172 -8.218 -1.476) 8.627 6.211 ( 5.289 4.910 6.838) 9.942 6.280 ( 5.604 2.020 5.800) 8.314 6.437 ( -5.135 5.466 -3.098) 8.114 6.472 ( -1.576 -1.733 0.826) 2.484 6.651 ( -7.343 9.150 -2.460) 11.987 6.896 ( 8.464 -13.680 -1.270) 16.136 7.099 ( 5.976 11.616 -5.051) 14.006 7.392 ( 0.436 -12.547 -9.026) 15.462 7.594 ( 1.941 9.365 0.315) 9.569 7.748 ( 5.772 -5.335 0.938) 7.916 7.800 ( -1.495 -0.600 -8.236) 8.392 7.878 ( -3.718 -8.776 -7.674) 12.237 8.577 ( 4.333 1.860 1.811) 5.051 8.609 ( 3.549 -0.881 0.398) 3.678 8.978 ( -0.836 9.091 14.602) 17.221 9.148 ( -6.965 -6.892 7.635) 12.422 9.160 ( -10.244 4.396 -4.574) 12.049 9.249 ( -12.136 -4.493 -5.109) 13.913 9.622 ( -5.401 3.306 -1.659) 6.546 9.704 ( -6.157 -4.222 -1.058) 7.540 9.982 ( 0.330 8.863 2.375) 9.181 10.161 ( 1.892 -7.797 1.604) 8.182 10.386 ( -3.567 6.349 -4.570) 8.598 10.501 ( -1.134 -4.440 -5.948) 7.508 10.659 ( 5.083 4.548 0.433) 6.834 10.777 ( 2.171 -7.396 1.847) 7.926 11.137 ( -4.006 16.235 9.067) 19.022 11.452 ( -4.479 -14.318 11.266) 18.762 12.405 ( -3.046 2.969 -1.597) 4.543 12.506 ( -2.018 -5.887 -4.011) 7.404 13.004 ( -1.099 4.822 -0.336) 4.957 13.113 ( 0.346 -5.739 1.248) 5.884 13.670 ( 5.906 7.235 -10.230) 13.852 13.811 ( 5.039 -6.841 -6.755) 10.855 14.469 ( 0.870 1.657 -2.913) 3.462 14.507 ( 1.426 -1.793 -1.656) 2.827 14.843 ( -5.171 3.754 -5.604) 8.499 14.910 ( -7.235 -2.623 -5.954) 9.730 15.610 ( 0.498 6.617 -0.727) 6.675 15.692 ( 3.416 -2.847 0.854) 4.528 15.772 ( 4.667 8.264 3.140) 9.996 15.993 ( 4.213 -12.332 -0.377) 13.037 16.877 ( -0.200 6.723 -0.806) 6.774 16.996 ( -0.779 -5.354 -0.618) 5.445 18.284 ( 1.121 2.758 0.140) 2.980 18.329 ( 1.177 -1.392 1.662) 2.467 18.737 ( -3.997 2.730 -0.592) 4.876 18.804 ( -5.568 -4.189 -1.233) 7.076 19.266 ( 3.110 10.050 -3.900) 11.220 19.443 ( 3.401 -8.017 -3.023) 9.219 20.147 ( -0.879 9.315 -1.836) 9.535 20.320 ( 0.120 -8.440 -1.506) 8.575 22.139 ( -1.198 1.369 1.927) 2.650 22.182 ( -1.672 -2.818 2.281) 3.992 22.721 ( 2.584 10.725 -0.876) 11.067 22.905 ( 4.034 -3.693 -4.843) 7.305 23.052 ( 3.547 0.368 -4.009) 5.366 23.126 ( 3.759 -3.640 -3.873) 6.510 25.531 ( 0.504 1.216 2.105) 2.483 25.553 ( 0.664 -0.640 2.438) 2.607 25.778 ( -0.155 1.356 0.375) 1.416 25.820 ( 0.637 -2.523 -0.740) 2.705 26.023 ( 1.390 -0.008 5.079) 5.265 26.057 ( 0.299 -2.892 3.266) 4.372 26.553 ( -3.882 0.035 2.328) 4.527 26.565 ( -4.978 -1.563 1.277) 5.371 26.945 ( -1.748 5.653 -0.149) 5.919 27.041 ( -1.939 -3.814 -1.808) 4.645 27.454 ( -1.622 6.666 -2.308) 7.238 27.561 ( -2.512 -4.454 -2.563) 5.720 ======================= Grid point 105 (55/96) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 2.724 0.000 24.993) 25.141 1.557 ( -4.187 0.000 22.288) 22.677 2.401 ( 9.497 0.000 22.379) 24.311 2.494 ( 2.607 0.000 -8.688) 9.071 2.575 ( 3.415 0.000 2.093) 4.005 2.895 ( 5.286 0.000 3.329) 6.247 2.982 ( -10.380 0.000 -4.989) 11.517 3.143 ( 5.804 0.000 -6.837) 8.969 3.235 ( -0.628 0.000 1.167) 1.325 3.446 ( 4.602 0.000 0.181) 4.605 3.593 ( -1.187 0.000 4.615) 4.765 3.745 ( -5.854 0.000 3.962) 7.068 3.750 ( 3.331 0.000 0.001) 3.331 3.962 ( 1.087 0.000 2.047) 2.318 4.418 ( 3.914 0.000 4.230) 5.763 4.460 ( -12.157 0.000 2.871) 12.491 4.524 ( -8.119 0.000 11.413) 14.007 4.839 ( 11.244 0.000 4.315) 12.043 4.854 ( 2.992 0.000 -1.073) 3.179 5.035 ( 7.000 0.000 -3.324) 7.750 5.091 ( -15.823 0.000 -3.715) 16.253 5.307 ( -4.052 0.000 -8.664) 9.565 5.347 ( 14.149 0.000 16.100) 21.434 5.863 ( 4.221 0.000 2.186) 4.754 6.028 ( -8.364 0.000 8.142) 11.673 6.045 ( -12.183 0.000 -7.099) 14.100 6.260 ( 2.466 0.000 7.271) 7.678 6.292 ( -7.465 0.000 27.475) 28.471 6.428 ( 6.873 0.000 5.449) 8.771 6.461 ( 8.772 0.000 3.307) 9.375 6.978 ( -0.843 0.000 2.340) 2.487 7.017 ( -1.157 0.000 -2.672) 2.912 7.124 ( 3.608 0.000 6.807) 7.704 7.339 ( 2.985 0.000 -6.565) 7.211 7.355 ( -3.823 0.000 -7.586) 8.495 7.844 ( 12.951 0.000 -2.063) 13.114 7.909 ( -2.099 0.000 -0.194) 2.108 8.166 ( -9.514 0.000 -1.871) 9.696 8.483 ( 2.691 0.000 -3.368) 4.311 8.597 ( 2.492 0.000 -1.662) 2.996 8.761 ( -6.185 0.000 1.929) 6.479 8.777 ( -6.530 0.000 -11.980) 13.644 8.988 ( 1.655 0.000 -3.992) 4.322 9.089 ( -19.070 0.000 -9.564) 21.333 9.298 ( -1.143 0.000 13.127) 13.177 9.924 ( 4.532 0.000 5.209) 6.904 10.027 ( 2.963 0.000 -6.077) 6.761 10.105 ( -3.078 0.000 2.720) 4.108 10.227 ( 1.552 0.000 -8.166) 8.312 10.470 ( 1.262 0.000 -7.142) 7.252 10.583 ( 5.893 0.000 11.064) 12.536 11.027 ( -0.941 0.000 -3.160) 3.297 11.205 ( 8.750 0.000 18.092) 20.097 12.014 ( -6.666 0.000 18.261) 19.440 12.386 ( 2.383 0.000 -12.758) 12.978 12.636 ( -2.292 0.000 3.421) 4.118 12.798 ( 2.355 0.000 -2.883) 3.723 13.186 ( 5.788 0.000 -16.892) 17.856 13.386 ( -0.722 0.000 5.947) 5.990 13.907 ( -1.551 0.000 -8.329) 8.472 14.257 ( 1.272 0.000 -7.004) 7.118 14.350 ( -4.861 0.000 -4.598) 6.691 14.680 ( -7.203 0.000 -1.568) 7.372 14.727 ( -1.790 0.000 -3.108) 3.586 15.472 ( 5.268 0.000 7.900) 9.495 15.830 ( 3.019 0.000 0.345) 3.038 15.945 ( 3.663 0.000 3.994) 5.420 16.251 ( 0.529 0.000 -5.735) 5.759 16.679 ( -0.100 0.000 4.288) 4.289 17.027 ( 0.159 0.000 -3.467) 3.471 18.256 ( 0.601 0.000 2.581) 2.650 18.425 ( 1.864 0.000 2.528) 3.141 18.658 ( -6.890 0.000 -5.188) 8.625 18.682 ( 0.679 0.000 -4.787) 4.835 19.073 ( 8.646 0.000 3.038) 9.164 19.520 ( -1.712 0.000 -6.268) 6.497 19.953 ( -0.273 0.000 4.289) 4.298 20.436 ( 2.771 0.000 -11.460) 11.791 22.273 ( -1.550 0.000 1.962) 2.500 22.297 ( 1.978 0.000 2.104) 2.888 22.460 ( 0.052 0.000 1.153) 1.154 22.536 ( -1.069 0.000 -0.934) 1.419 23.141 ( -2.320 0.000 -1.657) 2.851 23.194 ( -0.284 0.000 -3.431) 3.442 25.553 ( 0.102 0.000 1.334) 1.338 25.558 ( -0.105 0.000 1.220) 1.224 25.792 ( -1.223 0.000 1.335) 1.811 25.872 ( 1.447 0.000 -1.450) 2.048 26.158 ( 1.607 0.000 0.926) 1.855 26.184 ( -9.807 0.000 0.220) 9.809 26.592 ( -1.152 0.000 3.781) 3.952 26.787 ( 15.079 0.000 -2.124) 15.227 26.832 ( -1.152 0.000 5.398) 5.520 27.079 ( -1.864 0.000 8.327) 8.533 27.138 ( 0.643 0.000 -3.574) 3.631 27.495 ( -1.320 0.000 -4.451) 4.643 ======================= Grid point 106 (56/96) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 6.104 0.000 17.264) 18.311 1.710 ( 11.166 0.000 23.340) 25.873 2.496 ( -0.878 0.000 7.007) 7.062 2.523 ( 3.002 0.000 -5.865) 6.589 2.659 ( -4.642 0.000 -9.987) 11.013 2.898 ( 6.867 0.000 7.537) 10.196 2.982 ( 1.877 0.000 0.836) 2.055 3.182 ( 0.255 0.000 -8.611) 8.614 3.231 ( -0.032 0.000 4.253) 4.253 3.520 ( 3.011 0.000 -1.066) 3.194 3.633 ( -4.213 0.000 -0.344) 4.227 3.661 ( -9.469 0.000 -3.938) 10.255 3.702 ( 5.151 0.000 11.984) 13.044 4.002 ( 0.623 0.000 1.924) 2.023 4.214 ( -10.765 0.000 2.309) 11.010 4.377 ( -5.764 0.000 15.320) 16.369 4.623 ( 9.213 0.000 5.444) 10.701 4.774 ( -10.483 0.000 -1.682) 10.617 4.992 ( 8.270 0.000 3.672) 9.048 5.022 ( 5.750 0.000 1.039) 5.843 5.112 ( -9.040 0.000 -11.707) 14.791 5.244 ( 13.445 0.000 0.436) 13.452 5.717 ( -16.000 0.000 -11.812) 19.887 5.742 ( 5.852 0.000 11.838) 13.206 5.888 ( 0.927 0.000 11.751) 11.788 5.987 ( 5.203 0.000 4.288) 6.742 6.221 ( -7.919 0.000 23.670) 24.959 6.303 ( -1.608 0.000 4.526) 4.803 6.472 ( -2.906 0.000 1.078) 3.100 6.660 ( 5.005 0.000 1.186) 5.143 6.811 ( -10.633 0.000 -10.120) 14.680 6.998 ( 1.630 0.000 4.445) 4.735 7.190 ( -2.713 0.000 -4.023) 4.852 7.255 ( -3.532 0.000 15.897) 16.285 7.336 ( -2.605 0.000 -2.103) 3.348 7.845 ( -3.026 0.000 5.789) 6.532 7.875 ( -16.531 0.000 -5.377) 17.384 7.990 ( 3.125 0.000 -2.952) 4.298 8.518 ( -2.185 0.000 -15.304) 15.459 8.608 ( -0.659 0.000 -6.933) 6.965 8.700 ( 0.479 0.000 -1.571) 1.642 8.753 ( 2.098 0.000 2.652) 3.381 8.890 ( 10.876 0.000 -1.616) 10.996 9.073 ( 0.733 0.000 6.211) 6.254 9.382 ( 8.270 0.000 7.106) 10.904 9.991 ( -0.659 0.000 1.017) 1.211 10.013 ( -1.561 0.000 -5.534) 5.750 10.164 ( 8.702 0.000 5.518) 10.304 10.269 ( 5.206 0.000 -9.708) 11.016 10.510 ( 4.915 0.000 -7.224) 8.738 10.693 ( 1.409 0.000 9.143) 9.251 10.985 ( -1.767 0.000 -5.353) 5.637 11.431 ( 7.221 0.000 16.968) 18.440 11.928 ( -8.481 0.000 16.240) 18.321 12.376 ( 2.571 0.000 -16.494) 16.693 12.638 ( 0.802 0.000 4.975) 5.039 12.866 ( 5.265 0.000 -3.942) 6.577 13.214 ( 3.011 0.000 -16.229) 16.506 13.374 ( -2.533 0.000 7.339) 7.764 13.804 ( -5.117 0.000 -8.817) 10.194 14.232 ( -5.347 0.000 -4.091) 6.733 14.293 ( 4.132 0.000 -2.964) 5.085 14.538 ( -6.236 0.000 2.271) 6.637 14.710 ( 0.640 0.000 -0.478) 0.799 15.635 ( 7.393 0.000 5.194) 9.035 15.852 ( -0.116 0.000 -3.464) 3.465 15.998 ( 0.600 0.000 2.850) 2.912 16.206 ( -2.388 0.000 -7.949) 8.299 16.706 ( 0.838 0.000 5.398) 5.463 17.025 ( 0.693 0.000 -4.678) 4.729 18.249 ( -2.048 0.000 1.700) 2.661 18.426 ( -1.501 0.000 2.882) 3.249 18.592 ( 1.243 0.000 -3.722) 3.924 18.748 ( 7.063 0.000 -0.995) 7.133 19.211 ( 4.736 0.000 -2.042) 5.158 19.443 ( -3.469 0.000 -7.259) 8.045 19.963 ( -0.363 0.000 4.455) 4.470 20.456 ( 3.626 0.000 -12.936) 13.435 22.249 ( -1.463 0.000 1.514) 2.105 22.320 ( -0.479 0.000 2.297) 2.347 22.463 ( -0.140 0.000 1.439) 1.446 22.525 ( 0.417 0.000 -0.526) 0.671 23.067 ( -4.348 0.000 -0.684) 4.402 23.149 ( -3.139 0.000 -2.130) 3.793 25.556 ( -0.488 0.000 1.001) 1.114 25.560 ( 0.122 0.000 1.413) 1.418 25.772 ( -1.073 0.000 0.819) 1.350 25.876 ( -1.051 0.000 0.191) 1.068 26.048 ( -4.388 0.000 2.737) 5.172 26.172 ( -0.673 0.000 1.964) 2.076 26.614 ( 2.090 0.000 1.606) 2.636 26.848 ( 0.774 0.000 5.762) 5.814 27.043 ( 10.366 0.000 -9.521) 14.075 27.075 ( -1.766 0.000 8.684) 8.862 27.186 ( 6.936 0.000 -4.230) 8.124 27.464 ( -0.013 0.000 -3.294) 3.294 ======================= Grid point 107 (57/96) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 9.758 0.000 12.617) 15.950 2.032 ( 12.578 0.000 18.447) 22.327 2.460 ( -1.812 0.000 -1.004) 2.071 2.517 ( -5.502 0.000 -5.392) 7.703 2.558 ( 1.197 0.000 -2.075) 2.395 2.927 ( -6.696 0.000 -2.163) 7.037 3.068 ( -7.577 0.000 -16.246) 17.926 3.100 ( 9.694 0.000 2.755) 10.077 3.215 ( -3.323 0.000 -0.016) 3.323 3.449 ( -9.044 0.000 -0.351) 9.050 3.490 ( -8.085 0.000 -3.176) 8.686 3.578 ( 2.920 0.000 1.309) 3.200 3.879 ( 5.811 0.000 11.275) 12.685 3.959 ( -6.854 0.000 0.553) 6.876 4.103 ( -0.938 0.000 4.362) 4.462 4.340 ( -3.462 0.000 10.113) 10.689 4.733 ( 5.520 0.000 2.113) 5.911 4.824 ( 7.794 0.000 8.625) 11.624 4.928 ( -4.528 0.000 -9.862) 10.851 5.125 ( 3.613 0.000 2.400) 4.338 5.129 ( 0.547 0.000 0.745) 0.925 5.413 ( -5.263 0.000 -7.535) 9.191 5.531 ( 12.745 0.000 3.640) 13.255 5.551 ( -11.650 0.000 6.007) 13.108 6.031 ( -4.312 0.000 3.073) 5.295 6.036 ( -7.088 0.000 6.042) 9.314 6.144 ( -9.124 0.000 28.575) 29.996 6.384 ( -3.000 0.000 -1.314) 3.275 6.417 ( 12.854 0.000 0.992) 12.892 6.584 ( -8.761 0.000 -4.102) 9.674 6.601 ( -3.629 0.000 -5.380) 6.489 7.047 ( -7.815 0.000 -3.030) 8.382 7.139 ( 6.780 0.000 6.263) 9.231 7.225 ( -6.810 0.000 -0.387) 6.821 7.298 ( -1.004 0.000 13.557) 13.594 7.534 ( -15.620 0.000 -0.983) 15.651 7.879 ( 3.575 0.000 12.724) 13.217 8.045 ( 4.836 0.000 -3.112) 5.751 8.313 ( -7.647 0.000 -17.312) 18.926 8.521 ( -2.253 0.000 -14.408) 14.583 8.791 ( -2.245 0.000 4.157) 4.725 8.919 ( 14.976 0.000 7.107) 16.577 9.088 ( 2.557 0.000 8.561) 8.935 9.229 ( 17.530 0.000 4.742) 18.160 9.596 ( 8.878 0.000 6.387) 10.937 9.948 ( -3.530 0.000 -0.636) 3.586 9.967 ( -0.026 0.000 -5.779) 5.779 10.320 ( 3.036 0.000 -11.465) 11.860 10.382 ( 9.380 0.000 4.640) 10.465 10.579 ( 4.028 0.000 -7.447) 8.467 10.700 ( -3.697 0.000 7.062) 7.971 10.931 ( -0.518 0.000 -8.607) 8.622 11.566 ( -1.688 0.000 14.065) 14.166 11.827 ( -5.081 0.000 14.065) 14.955 12.384 ( 5.424 0.000 -20.714) 21.412 12.697 ( 2.970 0.000 6.150) 6.830 12.969 ( 7.002 0.000 -5.725) 9.045 13.176 ( -1.353 0.000 -14.495) 14.558 13.353 ( -2.633 0.000 8.946) 9.326 13.666 ( -5.549 0.000 -6.694) 8.695 14.123 ( -4.080 0.000 -2.414) 4.741 14.384 ( 5.306 0.000 -0.610) 5.340 14.482 ( -0.867 0.000 5.924) 5.987 14.744 ( 2.725 0.000 0.296) 2.741 15.751 ( 2.754 0.000 0.744) 2.853 15.805 ( -2.882 0.000 -5.197) 5.943 15.999 ( -1.134 0.000 1.469) 1.856 16.118 ( -2.688 0.000 -9.775) 10.137 16.737 ( -0.001 0.000 5.865) 5.865 17.014 ( 0.324 0.000 -5.668) 5.677 18.202 ( -2.767 0.000 0.859) 2.898 18.426 ( -0.209 0.000 3.814) 3.820 18.646 ( 5.516 0.000 -4.038) 6.836 18.924 ( 9.702 0.000 2.045) 9.915 19.239 ( -0.525 0.000 -3.515) 3.554 19.343 ( -3.662 0.000 -7.875) 8.685 19.969 ( -0.777 0.000 5.123) 5.181 20.471 ( 2.321 0.000 -12.834) 13.042 22.231 ( -0.721 0.000 1.103) 1.318 22.300 ( -2.348 0.000 2.973) 3.788 22.467 ( 0.012 0.000 1.681) 1.681 22.555 ( 3.115 0.000 -1.858) 3.627 22.987 ( -3.293 0.000 0.531) 3.335 23.067 ( -4.375 0.000 -0.728) 4.435 25.549 ( -0.576 0.000 0.992) 1.147 25.566 ( -0.090 0.000 1.408) 1.411 25.758 ( -0.538 0.000 0.592) 0.800 25.843 ( -2.137 0.000 1.919) 2.873 26.010 ( -1.153 0.000 2.132) 2.424 26.153 ( -1.754 0.000 2.000) 2.660 26.664 ( 2.272 0.000 -0.124) 2.275 26.899 ( 1.655 0.000 6.653) 6.855 27.074 ( -1.468 0.000 9.219) 9.335 27.120 ( 3.115 0.000 -9.290) 9.799 27.312 ( 4.688 0.000 -7.712) 9.025 27.505 ( 6.364 0.000 -4.899) 8.032 ======================= Grid point 108 (58/96) ======================= q-point: (-0.57 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( -6.731 0.000 7.437) 10.031 2.214 ( -4.822 0.000 9.503) 10.656 2.447 ( 2.057 0.000 -3.386) 3.962 2.516 ( -2.228 0.000 0.598) 2.306 2.523 ( 8.699 0.000 3.195) 9.267 2.813 ( -7.947 0.000 -12.776) 15.046 2.880 ( 3.137 0.000 -2.859) 4.244 2.993 ( -14.009 0.000 -1.054) 14.048 3.239 ( -4.672 0.000 -1.113) 4.803 3.297 ( -7.303 0.000 1.205) 7.402 3.455 ( 10.685 0.000 -4.903) 11.757 3.580 ( -5.448 0.000 -4.356) 6.975 3.858 ( -0.938 0.000 6.389) 6.458 3.992 ( 2.407 0.000 9.063) 9.377 4.135 ( 1.200 0.000 5.246) 5.381 4.318 ( -2.033 0.000 4.363) 4.813 4.794 ( -3.471 0.000 -1.693) 3.862 4.846 ( -1.477 0.000 -12.941) 13.025 4.952 ( 0.890 0.000 6.500) 6.561 5.023 ( -2.992 0.000 1.253) 3.243 5.151 ( 1.605 0.000 5.021) 5.271 5.487 ( 8.214 0.000 -0.149) 8.216 5.605 ( 12.639 0.000 17.017) 21.197 5.759 ( -17.891 0.000 -1.912) 17.992 5.761 ( 4.378 0.000 3.189) 5.417 5.869 ( -5.543 0.000 4.449) 7.108 6.135 ( -3.629 0.000 30.422) 30.638 6.270 ( -12.339 0.000 -2.413) 12.573 6.448 ( 0.031 0.000 -0.522) 0.523 6.503 ( 5.541 0.000 -3.015) 6.308 6.785 ( 6.030 0.000 3.377) 6.911 6.914 ( -0.746 0.000 1.494) 1.670 7.081 ( -6.979 0.000 -2.436) 7.392 7.115 ( -13.813 0.000 -11.139) 17.744 7.245 ( 1.863 0.000 0.644) 1.971 7.439 ( 0.062 0.000 11.686) 11.686 8.021 ( -5.267 0.000 -20.827) 21.483 8.093 ( 11.708 0.000 22.471) 25.338 8.251 ( 5.347 0.000 3.398) 6.335 8.446 ( 0.035 0.000 -12.657) 12.657 8.683 ( -8.561 0.000 5.220) 10.027 9.241 ( 14.726 0.000 5.596) 15.753 9.276 ( 11.652 0.000 8.711) 14.548 9.482 ( 4.886 0.000 4.802) 6.851 9.759 ( 5.422 0.000 8.491) 10.074 9.844 ( -6.296 0.000 -3.709) 7.307 10.010 ( 6.120 0.000 -4.992) 7.898 10.281 ( -2.407 0.000 -11.483) 11.733 10.480 ( -2.919 0.000 1.045) 3.101 10.597 ( 1.437 0.000 -9.880) 9.984 10.615 ( -5.880 0.000 5.734) 8.213 10.935 ( 4.434 0.000 -9.044) 10.072 11.419 ( -15.102 0.000 10.877) 18.611 11.886 ( 3.207 0.000 14.955) 15.295 12.434 ( 7.180 0.000 -22.536) 23.652 12.782 ( 2.768 0.000 6.927) 7.459 13.010 ( -3.923 0.000 -14.745) 15.258 13.133 ( 5.196 0.000 -4.851) 7.108 13.329 ( -3.140 0.000 7.421) 8.058 13.564 ( -2.005 0.000 -4.563) 4.984 14.086 ( 1.347 0.000 1.206) 1.808 14.463 ( 2.381 0.000 -1.674) 2.910 14.539 ( 3.822 0.000 7.219) 8.168 14.818 ( 4.780 0.000 -0.788) 4.845 15.712 ( -4.476 0.000 -4.421) 6.291 15.751 ( -1.686 0.000 -2.463) 2.985 15.954 ( -4.273 0.000 -0.026) 4.273 16.057 ( 0.450 0.000 -8.829) 8.841 16.743 ( -1.390 0.000 5.338) 5.516 17.014 ( 2.015 0.000 -5.114) 5.497 18.162 ( -1.491 0.000 0.792) 1.688 18.426 ( -1.025 0.000 3.063) 3.230 18.746 ( 5.125 0.000 -7.655) 9.212 19.075 ( 2.564 0.000 -0.246) 2.575 19.188 ( -3.091 0.000 0.062) 3.092 19.284 ( 2.449 0.000 -5.307) 5.845 19.967 ( -1.438 0.000 5.596) 5.777 20.449 ( -0.017 0.000 -10.410) 10.410 22.234 ( 0.766 0.000 1.079) 1.323 22.260 ( -2.597 0.000 2.342) 3.497 22.470 ( -0.652 0.000 1.958) 2.063 22.618 ( 3.487 0.000 -3.475) 4.923 22.960 ( 0.554 0.000 0.864) 1.027 22.994 ( -2.131 0.000 0.141) 2.136 25.543 ( -0.392 0.000 1.192) 1.254 25.565 ( -0.615 0.000 1.302) 1.440 25.757 ( 0.231 0.000 0.779) 0.812 25.820 ( -0.788 0.000 1.482) 1.679 26.005 ( -0.277 0.000 3.032) 3.045 26.125 ( -1.639 0.000 1.217) 2.042 26.694 ( 0.823 0.000 0.135) 0.834 26.936 ( -0.753 0.000 6.898) 6.939 27.090 ( -0.467 0.000 9.639) 9.650 27.121 ( 0.625 0.000 -10.866) 10.884 27.324 ( 0.012 0.000 -4.822) 4.822 27.620 ( 6.451 0.000 -9.647) 11.605 ======================= Grid point 109 (59/96) ======================= q-point: (-0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( -14.783 0.000 8.294) 16.951 1.957 ( -18.600 0.000 7.298) 19.981 2.455 ( -8.158 0.000 2.064) 8.415 2.484 ( -1.531 0.000 -8.494) 8.630 2.695 ( -1.388 0.000 0.599) 1.512 2.755 ( 10.552 0.000 10.014) 14.547 2.818 ( 2.955 0.000 -2.740) 4.030 3.011 ( 6.454 0.000 0.357) 6.464 3.087 ( -7.984 0.000 -1.317) 8.092 3.203 ( -1.027 0.000 -0.329) 1.078 3.390 ( -8.020 0.000 -7.329) 10.865 3.683 ( 11.848 0.000 -3.344) 12.311 3.934 ( 3.619 0.000 7.472) 8.302 4.028 ( -1.339 0.000 5.809) 5.961 4.185 ( 2.303 0.000 6.792) 7.172 4.274 ( -4.273 0.000 0.247) 4.281 4.629 ( -9.517 0.000 -4.421) 10.494 4.778 ( 0.151 0.000 -7.049) 7.051 4.933 ( -3.580 0.000 8.301) 9.040 5.127 ( 10.757 0.000 1.270) 10.831 5.266 ( 0.772 0.000 9.892) 9.922 5.436 ( -8.511 0.000 0.478) 8.525 5.500 ( -8.025 0.000 -1.534) 8.170 5.743 ( 3.554 0.000 2.345) 4.258 5.958 ( 11.267 0.000 21.888) 24.617 5.965 ( -8.299 0.000 -3.376) 8.959 6.058 ( 5.812 0.000 5.058) 7.704 6.202 ( -0.863 0.000 28.917) 28.930 6.470 ( -1.382 0.000 0.348) 1.426 6.644 ( 6.356 0.000 0.628) 6.387 6.690 ( -7.461 0.000 -2.700) 7.934 6.832 ( -3.831 0.000 -6.854) 7.852 6.918 ( -6.790 0.000 -4.586) 8.194 7.136 ( 11.052 0.000 4.205) 11.825 7.238 ( -1.365 0.000 -4.764) 4.956 7.485 ( 1.869 0.000 4.487) 4.861 7.828 ( -5.892 0.000 -20.006) 20.856 8.358 ( 3.901 0.000 -4.920) 6.279 8.406 ( 5.693 0.000 9.342) 10.940 8.460 ( 4.518 0.000 -1.529) 4.769 8.600 ( 3.259 0.000 20.347) 20.606 9.441 ( -3.680 0.000 1.117) 3.846 9.524 ( 7.904 0.000 6.645) 10.326 9.546 ( 9.717 0.000 2.360) 10.000 9.664 ( -9.511 0.000 -3.202) 10.035 9.915 ( 7.893 0.000 7.746) 11.059 9.997 ( -6.693 0.000 -11.796) 13.562 10.259 ( -16.819 0.000 -2.566) 17.014 10.266 ( 4.879 0.000 -4.620) 6.719 10.524 ( -6.673 0.000 2.533) 7.137 10.590 ( 1.900 0.000 -9.965) 10.145 11.012 ( 5.186 0.000 -6.299) 8.159 11.143 ( -15.875 0.000 11.898) 19.839 11.995 ( 1.357 0.000 17.320) 17.373 12.457 ( 1.310 0.000 -18.575) 18.621 12.832 ( -0.679 0.000 5.940) 5.978 12.876 ( -0.721 0.000 -16.655) 16.671 13.172 ( -1.361 0.000 -5.269) 5.442 13.291 ( -2.208 0.000 4.370) 4.896 13.602 ( 7.450 0.000 -2.805) 7.961 14.192 ( 7.742 0.000 4.445) 8.928 14.455 ( -1.402 0.000 -6.358) 6.510 14.654 ( 4.778 0.000 5.349) 7.172 14.898 ( 3.153 0.000 -3.237) 4.519 15.627 ( -2.199 0.000 -1.269) 2.539 15.705 ( -1.218 0.000 -2.636) 2.904 15.824 ( -8.611 0.000 -0.940) 8.662 16.077 ( 4.007 0.000 -5.608) 6.892 16.726 ( -1.989 0.000 4.319) 4.755 17.052 ( 3.253 0.000 -4.571) 5.610 18.153 ( 0.242 0.000 1.388) 1.409 18.407 ( -1.761 0.000 -0.699) 1.895 18.744 ( -1.730 0.000 -5.744) 5.998 19.012 ( -5.281 0.000 -5.960) 7.963 19.146 ( -2.572 0.000 3.490) 4.335 19.392 ( 7.046 0.000 -1.592) 7.224 19.956 ( -1.677 0.000 5.764) 6.003 20.416 ( 0.400 0.000 -7.303) 7.314 22.221 ( -1.930 0.000 1.681) 2.559 22.267 ( 1.801 0.000 1.571) 2.390 22.453 ( -1.580 0.000 1.876) 2.453 22.635 ( -0.275 0.000 -4.297) 4.306 23.012 ( 3.833 0.000 -0.605) 3.881 23.013 ( 4.223 0.000 0.168) 4.226 25.542 ( -0.210 0.000 1.502) 1.517 25.554 ( -0.819 0.000 1.217) 1.467 25.773 ( 0.941 0.000 1.153) 1.488 25.820 ( 0.370 0.000 -0.216) 0.429 26.034 ( 2.269 0.000 5.002) 5.493 26.101 ( -1.027 0.000 0.386) 1.098 26.697 ( -0.865 0.000 1.645) 1.858 26.923 ( -2.843 0.000 7.014) 7.568 27.055 ( -3.420 0.000 -12.806) 13.255 27.111 ( -1.239 0.000 9.244) 9.326 27.293 ( -1.584 0.000 -3.638) 3.968 27.658 ( 1.257 0.000 -10.942) 11.014 ======================= Grid point 110 (60/96) ======================= q-point: (-0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -6.423 0.000 20.514) 21.496 1.643 ( -16.411 0.000 13.449) 21.218 2.216 ( -13.806 0.000 9.780) 16.920 2.463 ( 2.425 0.000 -7.509) 7.891 2.694 ( 0.953 0.000 2.962) 3.111 2.801 ( -8.532 0.000 3.680) 9.292 3.011 ( 8.277 0.000 7.716) 11.316 3.042 ( -0.788 0.000 -5.964) 6.016 3.075 ( 9.705 0.000 -5.684) 11.247 3.263 ( 5.556 0.000 -0.208) 5.560 3.343 ( 5.713 0.000 -1.258) 5.850 3.849 ( 4.690 0.000 -3.551) 5.882 3.996 ( -0.043 0.000 4.629) 4.629 4.010 ( -6.971 0.000 4.859) 8.497 4.131 ( -2.486 0.000 0.401) 2.518 4.306 ( 7.456 0.000 8.033) 10.960 4.484 ( -3.122 0.000 -2.346) 3.905 4.813 ( 4.020 0.000 -1.347) 4.240 4.871 ( -7.703 0.000 11.779) 14.075 5.137 ( -6.579 0.000 5.416) 8.521 5.281 ( -0.259 0.000 -3.622) 3.631 5.403 ( -2.378 0.000 -4.239) 4.861 5.527 ( 4.191 0.000 8.407) 9.394 5.632 ( -4.094 0.000 1.761) 4.457 5.976 ( 9.134 0.000 -1.964) 9.343 6.101 ( -4.636 0.000 15.885) 16.547 6.240 ( 6.363 0.000 6.598) 9.166 6.245 ( -4.485 0.000 22.290) 22.737 6.382 ( -3.753 0.000 0.672) 3.812 6.556 ( -12.024 0.000 -1.751) 12.150 6.620 ( 1.862 0.000 10.035) 10.206 6.909 ( 8.551 0.000 -1.965) 8.774 6.988 ( 11.877 0.000 -0.410) 11.885 7.171 ( -2.230 0.000 -8.526) 8.813 7.331 ( 7.359 0.000 -3.970) 8.361 7.595 ( 9.118 0.000 4.781) 10.296 7.664 ( -3.517 0.000 -16.794) 17.158 8.355 ( -5.007 0.000 -0.275) 5.015 8.402 ( 3.801 0.000 -7.669) 8.559 8.548 ( 3.353 0.000 0.718) 3.429 8.928 ( 12.488 0.000 25.023) 27.966 9.266 ( -11.533 0.000 -3.903) 12.176 9.394 ( -12.954 0.000 -7.454) 14.945 9.580 ( -11.755 0.000 2.596) 12.038 9.698 ( -2.876 0.000 -0.212) 2.883 9.834 ( 2.470 0.000 -11.986) 12.238 9.890 ( -10.344 0.000 -1.694) 10.482 10.164 ( 9.449 0.000 10.387) 14.042 10.308 ( 0.838 0.000 -7.464) 7.511 10.373 ( -8.135 0.000 0.385) 8.144 10.585 ( -0.498 0.000 -5.708) 5.730 10.948 ( -7.553 0.000 15.878) 17.583 11.058 ( 1.284 0.000 -4.457) 4.638 12.055 ( -2.048 0.000 19.162) 19.271 12.378 ( -1.143 0.000 -12.189) 12.242 12.790 ( -4.732 0.000 2.914) 5.557 12.864 ( 2.710 0.000 -15.553) 15.788 13.099 ( -1.014 0.000 -8.106) 8.169 13.299 ( 1.291 0.000 4.761) 4.933 13.771 ( 9.291 0.000 -2.937) 9.744 14.367 ( 7.028 0.000 2.940) 7.618 14.381 ( -2.601 0.000 -10.323) 10.645 14.740 ( 2.688 0.000 1.261) 2.969 14.889 ( -2.194 0.000 -6.296) 6.668 15.611 ( -10.324 0.000 -0.892) 10.363 15.642 ( 3.175 0.000 2.898) 4.299 15.732 ( 2.753 0.000 1.389) 3.084 16.154 ( 5.026 0.000 -3.819) 6.313 16.702 ( -1.930 0.000 3.553) 4.044 17.083 ( 1.119 0.000 -5.162) 5.281 18.178 ( 1.456 0.000 2.120) 2.571 18.351 ( -1.963 0.000 -3.220) 3.771 18.732 ( 1.597 0.000 6.828) 7.013 18.873 ( -6.096 0.000 -7.128) 9.380 19.066 ( -6.750 0.000 -0.311) 6.757 19.501 ( 4.746 0.000 -3.231) 5.741 19.946 ( -1.401 0.000 5.601) 5.774 20.416 ( 1.941 0.000 -6.836) 7.106 22.207 ( 0.031 0.000 2.249) 2.249 22.298 ( 0.301 0.000 2.171) 2.192 22.438 ( -0.244 0.000 1.284) 1.307 22.600 ( -1.230 0.000 -4.002) 4.187 23.102 ( 4.376 0.000 -0.889) 4.465 23.104 ( 5.319 0.000 -2.419) 5.843 25.546 ( -0.299 0.000 1.365) 1.397 25.546 ( -0.137 0.000 1.546) 1.552 25.796 ( 0.704 0.000 1.530) 1.685 25.829 ( 0.875 0.000 -1.566) 1.794 26.093 ( 0.320 0.000 -0.079) 0.329 26.143 ( 6.990 0.000 5.310) 8.778 26.672 ( -2.621 0.000 3.419) 4.308 26.880 ( -9.922 0.000 -12.198) 15.724 26.886 ( -3.285 0.000 6.666) 7.432 27.106 ( -2.372 0.000 8.578) 8.900 27.234 ( -2.985 0.000 -3.462) 4.571 27.608 ( -1.938 0.000 -8.740) 8.953 ======================= Grid point 111 (61/96) ======================= q-point: (-0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -8.690 0.000 20.969) 22.698 1.590 ( -5.370 0.000 26.331) 26.873 2.130 ( 2.852 0.000 20.437) 20.635 2.482 ( 2.174 0.000 -8.859) 9.122 2.635 ( -7.865 0.000 3.501) 8.609 2.774 ( 5.285 0.000 3.951) 6.599 3.051 ( 4.796 0.000 -7.123) 8.587 3.119 ( 0.542 0.000 -3.133) 3.180 3.203 ( 3.207 0.000 1.038) 3.371 3.356 ( 4.237 0.000 0.940) 4.340 3.551 ( 12.958 0.000 2.350) 13.170 3.735 ( -12.577 0.000 -3.219) 12.982 3.845 ( -4.723 0.000 1.708) 5.023 3.980 ( -2.290 0.000 2.499) 3.390 4.298 ( 8.308 0.000 3.139) 8.881 4.485 ( 6.092 0.000 6.887) 9.194 4.533 ( 10.272 0.000 5.571) 11.685 4.712 ( -11.971 0.000 14.193) 18.567 4.870 ( 1.251 0.000 -1.800) 2.192 5.120 ( -14.275 0.000 -9.055) 16.905 5.125 ( 2.191 0.000 7.916) 8.214 5.295 ( 3.714 0.000 -0.920) 3.826 5.446 ( -13.401 0.000 -1.601) 13.496 5.781 ( 7.826 0.000 -1.497) 7.968 6.078 ( -1.063 0.000 15.568) 15.605 6.147 ( 5.530 0.000 0.151) 5.532 6.224 ( -4.729 0.000 12.728) 13.578 6.322 ( 1.054 0.000 3.948) 4.087 6.329 ( -3.972 0.000 14.813) 15.336 6.362 ( -3.556 0.000 0.739) 3.632 6.808 ( 9.498 0.000 16.434) 18.981 7.051 ( 5.380 0.000 0.103) 5.381 7.057 ( -2.006 0.000 -5.322) 5.688 7.257 ( 9.757 0.000 -6.759) 11.870 7.398 ( 2.305 0.000 -7.506) 7.852 7.627 ( 6.654 0.000 -7.702) 10.179 7.825 ( 10.649 0.000 -0.352) 10.655 8.266 ( -3.876 0.000 -0.002) 3.876 8.448 ( 3.148 0.000 -5.996) 6.773 8.584 ( 0.891 0.000 -2.468) 2.624 9.003 ( -12.335 0.000 -6.820) 14.095 9.045 ( -16.768 0.000 5.920) 17.783 9.119 ( -9.872 0.000 -8.305) 12.901 9.272 ( -4.877 0.000 10.390) 11.478 9.469 ( -14.825 0.000 -8.025) 16.858 9.850 ( 0.940 0.000 5.755) 5.831 9.948 ( 7.040 0.000 -5.926) 9.202 10.196 ( -6.436 0.000 1.355) 6.577 10.264 ( -1.429 0.000 -8.716) 8.833 10.404 ( 7.615 0.000 10.941) 13.330 10.518 ( -3.162 0.000 -5.919) 6.711 10.993 ( 4.918 0.000 18.058) 18.716 11.049 ( -0.275 0.000 -3.032) 3.044 12.057 ( -4.699 0.000 19.268) 19.832 12.366 ( 3.322 0.000 -10.251) 10.775 12.699 ( -4.819 0.000 1.955) 5.200 12.815 ( -2.020 0.000 -6.509) 6.815 13.121 ( 6.306 0.000 -15.290) 16.539 13.354 ( 1.715 0.000 5.596) 5.853 13.901 ( 4.731 0.000 -4.767) 6.716 14.296 ( -1.698 0.000 -10.920) 11.051 14.429 ( -0.924 0.000 -2.379) 2.552 14.769 ( -0.471 0.000 -1.492) 1.564 14.800 ( -3.700 0.000 -5.871) 6.940 15.442 ( -5.482 0.000 4.542) 7.119 15.741 ( 4.919 0.000 3.338) 5.945 15.835 ( 5.676 0.000 3.676) 6.762 16.227 ( 3.576 0.000 -4.194) 5.512 16.680 ( -1.414 0.000 3.522) 3.795 17.056 ( -1.437 0.000 -4.372) 4.602 18.219 ( 1.783 0.000 2.557) 3.118 18.358 ( 2.998 0.000 0.555) 3.049 18.742 ( -4.165 0.000 -6.833) 8.003 18.815 ( -1.631 0.000 3.704) 4.047 18.925 ( -1.162 0.000 1.228) 1.691 19.546 ( 1.345 0.000 -5.020) 5.197 19.945 ( -0.700 0.000 4.926) 4.976 20.428 ( 2.096 0.000 -9.087) 9.325 22.241 ( 2.295 0.000 2.802) 3.622 22.293 ( -1.294 0.000 2.237) 2.584 22.449 ( 0.625 0.000 1.011) 1.189 22.565 ( -1.105 0.000 -2.920) 3.122 23.157 ( 1.429 0.000 -1.684) 2.208 23.179 ( 3.131 0.000 -3.544) 4.729 25.547 ( 0.016 0.000 1.285) 1.285 25.553 ( 0.095 0.000 1.546) 1.549 25.804 ( -0.498 0.000 1.644) 1.718 25.846 ( 1.557 0.000 -1.855) 2.422 26.116 ( 1.964 0.000 0.076) 1.965 26.302 ( 4.220 0.000 -0.824) 4.299 26.625 ( -3.307 0.000 4.418) 5.519 26.644 ( -6.011 0.000 -2.216) 6.406 26.850 ( -2.617 0.000 5.935) 6.487 27.089 ( -2.298 0.000 8.218) 8.533 27.167 ( -2.112 0.000 -3.526) 4.110 27.543 ( -1.776 0.000 -5.948) 6.208 ======================= Grid point 112 (62/96) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 9.330 5.835 19.208) 22.137 1.798 ( -7.399 18.488 22.740) 30.227 2.393 ( -0.848 -3.623 3.456) 5.078 2.432 ( 0.647 -11.480 -0.742) 11.522 2.480 ( 12.786 1.404 16.091) 20.601 2.798 ( -5.486 -13.512 -2.879) 14.864 2.937 ( 2.096 2.147 -2.354) 3.814 3.126 ( 2.028 -1.546 5.573) 6.129 3.283 ( 0.639 -10.304 0.342) 10.330 3.379 ( 4.830 5.826 -6.227) 9.800 3.470 ( 2.086 -5.771 9.457) 11.273 3.713 ( -1.585 -1.811 0.872) 2.560 3.798 ( 1.394 0.736 1.578) 2.230 4.016 ( -3.160 1.303 -0.756) 3.501 4.186 ( -6.101 -13.827 6.357) 16.396 4.346 ( 5.608 -6.511 -0.881) 8.638 4.683 ( -1.571 8.479 6.255) 10.653 4.993 ( 4.375 9.532 2.798) 10.855 4.999 ( -1.491 14.708 4.604) 15.483 5.180 ( -11.281 8.608 0.137) 14.191 5.207 ( 0.901 13.284 -2.515) 13.550 5.372 ( 9.876 8.382 11.611) 17.395 5.492 ( 0.918 9.242 -1.574) 9.420 5.802 ( 3.857 -5.619 5.807) 8.954 5.952 ( -10.511 -6.769 -1.188) 12.558 6.011 ( -4.431 -6.093 3.109) 8.150 6.135 ( -6.190 -5.082 8.593) 11.747 6.240 ( 0.104 -1.322 0.976) 1.646 6.455 ( 7.926 -0.070 3.714) 8.753 6.555 ( 2.359 6.395 17.585) 18.860 6.887 ( 5.158 -7.187 8.229) 12.082 7.002 ( -4.085 -4.416 -9.274) 11.054 7.102 ( 1.720 -1.849 4.667) 5.307 7.306 ( -6.688 -0.480 -5.155) 8.458 7.396 ( 3.256 2.003 -4.499) 5.904 7.745 ( 4.803 -6.664 -2.743) 8.661 7.949 ( 5.437 0.968 0.666) 5.563 8.093 ( -3.060 -6.701 1.069) 7.444 8.451 ( -2.717 -2.719 -4.428) 5.863 8.557 ( -0.743 -2.946 -1.997) 3.636 8.774 ( -8.158 3.538 -7.689) 11.756 8.861 ( -3.963 5.257 -4.527) 7.990 8.980 ( -6.031 -0.768 -4.252) 7.419 9.094 ( -4.661 -0.436 -7.696) 9.008 9.375 ( -4.620 7.330 10.659) 13.736 9.877 ( -0.182 -8.229 1.610) 8.387 9.995 ( 4.337 4.364 2.771) 6.748 10.172 ( -3.145 3.317 0.246) 4.577 10.227 ( 4.339 0.480 -6.412) 7.757 10.441 ( 2.774 -2.092 -4.399) 5.606 10.701 ( 3.720 8.072 4.566) 9.993 10.981 ( 0.666 -4.144 -1.352) 4.409 11.265 ( 6.519 6.372 18.371) 20.508 11.940 ( -5.120 -7.165 16.546) 18.744 12.384 ( 2.565 -0.611 -9.824) 10.171 12.490 ( 1.052 -9.387 -0.873) 9.486 12.878 ( 0.666 5.958 -0.610) 6.026 13.291 ( 3.162 6.154 -9.271) 11.568 13.318 ( 0.366 -4.139 -0.645) 4.205 13.821 ( -1.530 -7.926 -9.363) 12.363 14.298 ( 1.577 3.909 -5.506) 6.934 14.375 ( -5.625 2.627 -4.789) 7.841 14.658 ( -6.505 -4.685 -3.149) 8.612 14.661 ( -1.810 -3.488 -2.710) 4.774 15.562 ( 4.749 8.056 6.366) 11.312 15.849 ( 2.945 1.951 0.445) 3.560 15.921 ( 4.252 -2.287 3.800) 6.144 16.185 ( 0.912 -6.093 -4.971) 7.916 16.751 ( -0.203 6.552 3.918) 7.637 17.040 ( 0.420 0.401 -1.877) 1.965 18.251 ( -0.307 -0.119 0.998) 1.051 18.393 ( 1.660 -3.118 -0.178) 3.537 18.616 ( -4.960 0.029 -2.113) 5.392 18.743 ( -1.278 1.691 -2.156) 3.024 19.138 ( 7.480 5.945 0.722) 9.582 19.480 ( -1.441 -3.829 -5.990) 7.254 20.000 ( 0.018 4.680 2.645) 5.376 20.387 ( 2.548 -4.691 -9.021) 10.482 22.214 ( 0.725 -3.181 3.160) 4.542 22.261 ( -1.049 -2.314 1.855) 3.146 22.568 ( 0.606 6.791 0.156) 6.820 22.637 ( -1.063 9.414 -3.594) 10.132 23.115 ( -2.307 -2.842 -2.408) 4.381 23.131 ( -0.183 -5.865 -2.811) 6.507 25.563 ( 0.369 1.029 1.600) 1.938 25.580 ( -0.486 1.778 1.140) 2.168 25.788 ( -0.972 -0.268 1.300) 1.645 25.861 ( 1.470 -1.174 -1.216) 2.240 26.136 ( -3.850 -2.586 1.335) 4.826 26.141 ( -1.998 -2.667 1.328) 3.588 26.585 ( -0.392 -0.484 3.367) 3.424 26.705 ( 7.957 -4.953 1.300) 9.462 26.891 ( 1.931 3.668 3.221) 5.250 27.052 ( -0.465 -1.397 0.894) 1.723 27.254 ( -0.096 8.087 0.472) 8.101 27.493 ( -1.291 -0.376 -3.746) 3.980 ======================= Grid point 113 (63/96) ======================= q-point: ( 0.14 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 5.778 7.719 16.359) 18.989 1.866 ( 7.542 12.429 20.110) 24.815 2.341 ( -1.326 -7.867 -9.712) 12.568 2.468 ( 0.802 -6.671 6.215) 9.153 2.654 ( -6.063 -14.264 -0.058) 15.499 2.744 ( 6.733 -0.118 3.263) 7.483 2.947 ( -0.835 0.149 1.100) 1.389 3.189 ( 4.005 -0.814 4.822) 6.321 3.322 ( 1.883 1.089 -4.294) 4.813 3.447 ( 2.534 -1.112 -3.587) 4.531 3.594 ( 5.906 -3.740 9.602) 11.877 3.632 ( -3.715 2.767 -1.379) 4.833 3.856 ( 0.679 5.337 4.678) 7.129 3.929 ( -5.201 -9.590 -1.019) 10.957 4.139 ( -0.271 -3.040 4.807) 5.694 4.435 ( -0.183 -8.101 2.192) 8.394 4.576 ( -5.704 13.035 3.672) 14.695 4.859 ( -9.605 8.959 1.070) 13.178 4.995 ( 0.946 2.985 3.442) 4.653 5.228 ( 1.652 13.995 6.466) 15.505 5.301 ( 3.504 10.718 -1.674) 11.399 5.337 ( 4.853 10.019 -1.514) 11.235 5.652 ( -13.109 -2.976 -4.721) 14.248 5.836 ( -8.986 -2.511 -1.289) 9.419 5.857 ( 18.645 3.020 13.303) 23.102 5.922 ( -0.192 -2.966 8.419) 8.929 6.099 ( -2.181 -8.846 13.436) 16.233 6.227 ( -0.817 -4.933 -2.046) 5.402 6.527 ( -5.103 -3.448 1.467) 6.331 6.669 ( 0.542 6.242 8.323) 10.418 6.812 ( -7.728 -1.694 -9.835) 12.622 6.965 ( 1.749 -2.033 5.806) 6.395 7.095 ( -6.310 -8.759 -4.728) 11.785 7.190 ( -3.884 -5.271 18.442) 19.570 7.386 ( -0.678 4.190 -2.645) 5.001 7.789 ( 0.364 -4.604 3.565) 5.834 7.895 ( -13.816 1.405 -3.701) 14.372 7.995 ( 0.479 -1.337 -1.022) 1.750 8.418 ( -4.424 -6.182 -11.541) 13.819 8.579 ( -6.717 -4.918 -13.415) 15.788 8.630 ( 7.768 -0.376 5.039) 9.267 8.842 ( 4.916 -0.983 0.838) 5.083 8.931 ( 9.129 8.683 -2.422) 12.829 9.202 ( 4.234 9.814 0.605) 10.705 9.385 ( 5.195 0.860 9.546) 10.902 9.864 ( -1.195 -6.973 0.868) 7.127 10.090 ( 0.790 2.491 -4.292) 5.026 10.133 ( 3.763 -2.062 4.658) 6.333 10.310 ( 5.881 3.137 -7.513) 10.044 10.484 ( 2.483 -3.299 -2.871) 5.029 10.767 ( 1.289 6.679 3.917) 7.849 10.975 ( -0.075 -0.706 -4.607) 4.661 11.459 ( 6.057 3.187 16.776) 18.119 11.889 ( -6.000 -4.058 14.550) 16.253 12.385 ( 2.162 0.655 -13.019) 13.213 12.545 ( 4.205 -6.870 1.328) 8.164 12.912 ( 2.976 4.159 -2.991) 5.925 13.285 ( -0.809 3.051 -6.141) 6.904 13.314 ( -0.052 -2.731 -2.236) 3.530 13.725 ( -4.260 -7.194 -9.070) 12.335 14.248 ( -5.137 1.724 -4.095) 6.792 14.341 ( 3.753 4.614 -1.773) 6.207 14.501 ( -5.710 -3.502 -0.152) 6.700 14.688 ( 2.597 -2.543 0.270) 3.645 15.689 ( 5.201 5.211 3.709) 8.243 15.870 ( -0.264 1.659 -2.884) 3.338 15.983 ( 0.945 -1.492 2.528) 3.083 16.151 ( -1.984 -5.182 -7.370) 9.225 16.773 ( 0.555 6.214 5.253) 8.156 17.038 ( 0.102 0.601 -3.290) 3.346 18.232 ( -1.572 -1.091 0.589) 2.002 18.421 ( 0.776 -3.478 1.222) 3.767 18.569 ( 1.243 1.790 -2.054) 2.995 18.763 ( 3.585 0.599 0.311) 3.648 19.250 ( 3.721 3.055 -2.358) 5.361 19.410 ( -3.026 -2.996 -6.288) 7.594 20.016 ( 0.499 5.183 2.524) 5.786 20.414 ( 3.669 -4.163 -10.613) 11.976 22.231 ( -0.184 -1.624 2.305) 2.825 22.255 ( -0.261 -3.090 2.582) 4.035 22.573 ( 0.159 5.037 -0.646) 5.080 22.595 ( -1.978 9.020 -1.287) 9.324 23.037 ( -4.436 -3.110 -1.488) 5.618 23.089 ( -3.099 -5.576 -1.536) 6.562 25.557 ( -1.087 0.599 1.168) 1.704 25.582 ( -0.041 1.358 1.373) 1.932 25.774 ( -0.783 0.350 0.881) 1.229 25.868 ( -0.733 -0.908 -0.287) 1.201 26.036 ( -3.496 -0.597 2.891) 4.576 26.151 ( -0.623 -2.155 1.971) 2.986 26.618 ( 2.603 0.602 1.349) 2.993 26.813 ( 2.602 -3.830 3.036) 5.537 27.013 ( 7.453 -0.920 0.652) 7.538 27.063 ( 1.763 -0.618 -1.493) 2.391 27.276 ( 2.748 6.349 -1.446) 7.067 27.465 ( -0.044 -0.109 -2.744) 2.747 ======================= Grid point 114 (64/96) ======================= q-point: ( 0.29 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 9.003 5.319 14.159) 17.602 2.022 ( -0.152 -7.881 6.293) 10.086 2.313 ( -0.807 -8.583 -3.500) 9.304 2.454 ( -0.011 -1.742 1.542) 2.326 2.617 ( -1.272 1.658 1.742) 2.720 2.810 ( 0.710 -8.580 -0.354) 8.617 2.922 ( 0.998 2.812 -1.652) 3.410 3.178 ( -6.242 -0.846 -8.631) 10.686 3.365 ( 4.552 11.106 -1.067) 12.049 3.412 ( -5.144 -2.346 1.396) 5.824 3.604 ( -1.101 -0.186 2.992) 3.193 3.647 ( -3.469 5.107 -2.762) 6.764 3.831 ( -5.569 -6.894 0.441) 8.873 3.924 ( 6.847 3.316 10.265) 12.777 4.184 ( 2.500 0.027 1.153) 2.753 4.343 ( -8.268 8.333 7.967) 14.187 4.567 ( 5.192 -12.944 -0.266) 13.949 4.849 ( 5.309 4.599 1.684) 7.223 4.977 ( -4.160 4.269 0.416) 5.975 5.130 ( -5.670 5.731 5.244) 9.617 5.314 ( -9.221 6.803 -6.368) 13.109 5.512 ( 5.464 -0.007 1.239) 5.603 5.552 ( 6.947 9.270 5.108) 12.660 5.581 ( -9.788 2.546 0.347) 10.119 5.924 ( -2.563 -3.366 9.721) 10.601 5.994 ( -8.685 -6.259 6.121) 12.332 6.200 ( 0.491 3.334 12.016) 12.479 6.341 ( -2.698 -10.401 -4.136) 11.514 6.400 ( 12.452 -2.724 3.255) 13.156 6.528 ( -9.739 4.513 2.672) 11.062 6.639 ( -7.545 3.110 -5.747) 9.982 6.909 ( -8.169 -12.261 -0.514) 14.742 7.098 ( 3.445 -3.577 9.870) 11.049 7.209 ( -1.734 -2.512 10.071) 10.523 7.384 ( 0.567 7.774 4.649) 9.075 7.612 ( -12.513 5.616 -1.565) 13.804 7.833 ( 2.812 -3.301 9.005) 9.994 8.042 ( 4.823 -1.645 -0.269) 5.103 8.223 ( -6.910 -7.091 -15.884) 18.718 8.416 ( -4.484 -7.430 -13.285) 15.868 8.872 ( 8.399 3.175 3.681) 9.705 8.952 ( 5.704 3.902 3.801) 7.888 9.210 ( 13.368 5.080 5.258) 15.237 9.236 ( 5.199 8.352 6.333) 11.700 9.586 ( 8.623 -1.521 6.148) 10.699 9.852 ( 0.238 -4.460 -0.130) 4.468 10.036 ( -2.310 1.553 -3.815) 4.723 10.296 ( 6.199 -7.462 2.847) 10.110 10.370 ( 4.411 3.551 -10.484) 11.916 10.509 ( 1.055 -4.337 -1.676) 4.767 10.768 ( -2.553 5.051 1.604) 5.882 10.953 ( 0.441 1.803 -8.005) 8.217 11.579 ( -1.387 1.495 13.871) 14.020 11.826 ( -3.815 -0.939 11.978) 12.606 12.392 ( 4.183 1.028 -15.470) 16.058 12.648 ( 5.226 -4.406 1.389) 6.975 12.961 ( 3.529 0.127 -5.869) 6.849 13.222 ( -2.621 3.390 -7.944) 9.026 13.306 ( -0.723 -3.696 1.911) 4.223 13.605 ( -4.753 -5.792 -6.971) 10.234 14.163 ( -2.127 3.465 -1.541) 4.348 14.378 ( -0.425 -1.120 2.128) 2.442 14.500 ( 5.339 2.720 1.938) 6.298 14.757 ( 3.893 0.449 1.848) 4.333 15.754 ( 0.592 0.825 -1.448) 1.768 15.825 ( -2.851 1.611 -3.670) 4.919 15.983 ( -1.467 -1.540 0.873) 2.299 16.068 ( -2.798 -4.524 -9.099) 10.540 16.801 ( 0.070 5.827 5.341) 7.905 17.021 ( -0.050 0.395 -4.455) 4.473 18.204 ( -1.580 0.421 1.053) 1.945 18.424 ( -1.036 -2.734 1.823) 3.445 18.632 ( 5.453 1.647 -2.337) 6.157 18.883 ( 7.507 -3.301 2.690) 8.631 19.260 ( -0.952 1.087 -4.041) 4.291 19.333 ( -2.432 -0.890 -6.131) 6.655 20.034 ( 0.299 6.224 2.760) 6.815 20.440 ( 2.557 -3.258 -10.940) 11.697 22.232 ( 0.033 0.052 1.225) 1.227 22.264 ( -0.380 -2.113 3.541) 4.141 22.559 ( -1.223 7.322 0.162) 7.425 22.581 ( 1.157 2.874 -1.457) 3.424 22.952 ( -3.533 -3.664 -0.336) 5.101 23.009 ( -4.354 -5.436 -0.199) 6.968 25.541 ( -0.806 -0.090 0.955) 1.253 25.579 ( -0.772 0.471 1.320) 1.600 25.764 ( -0.493 0.694 0.614) 1.049 25.839 ( -1.767 -0.434 0.807) 1.991 26.011 ( -0.761 0.338 2.547) 2.680 26.136 ( -1.449 -1.763 2.128) 3.120 26.675 ( 2.579 1.218 -0.482) 2.893 26.869 ( 1.923 -2.996 4.040) 5.385 27.072 ( -0.327 0.297 5.094) 5.113 27.132 ( 3.991 0.162 -4.905) 6.326 27.332 ( 2.922 2.420 -5.063) 6.327 27.495 ( 4.817 -0.953 -3.879) 6.258 ======================= Grid point 115 (65/96) ======================= q-point: (-0.57 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -7.609 -13.898 3.669) 16.264 2.063 ( -7.431 -2.376 5.876) 9.767 2.204 ( -2.767 -19.899 -6.267) 21.046 2.474 ( -0.539 6.623 4.965) 8.295 2.610 ( -0.704 4.741 -3.650) 6.024 2.803 ( 4.258 -1.787 1.306) 4.799 2.964 ( -3.870 1.390 -2.067) 4.602 3.093 ( 5.681 2.085 -1.589) 6.257 3.289 ( -6.912 1.186 0.155) 7.015 3.319 ( -9.951 16.796 3.389) 19.815 3.540 ( -3.636 -4.309 -7.071) 9.044 3.650 ( 1.982 7.205 -3.395) 8.208 3.767 ( 2.756 -0.689 7.212) 7.751 4.091 ( 4.676 1.259 8.534) 9.812 4.204 ( -0.868 2.143 -1.402) 2.704 4.241 ( -3.812 3.792 5.146) 7.443 4.747 ( 7.527 -11.058 5.000) 14.281 4.896 ( -2.731 -3.931 -0.124) 4.789 4.921 ( -0.492 5.291 -5.405) 7.579 5.046 ( -2.223 4.647 2.740) 5.835 5.150 ( -4.651 2.742 -0.075) 5.400 5.370 ( -1.944 -2.669 1.771) 3.747 5.609 ( -8.041 -10.326 -0.581) 13.100 5.681 ( -2.485 -0.790 5.998) 6.540 5.805 ( -0.137 1.575 2.492) 2.951 5.986 ( 3.145 5.954 11.573) 13.389 6.127 ( -6.455 0.771 11.725) 13.407 6.294 ( -2.642 -4.313 6.690) 8.387 6.420 ( 1.310 4.816 1.570) 5.232 6.506 ( 0.335 3.360 0.580) 3.426 6.719 ( -2.491 -13.659 -1.879) 14.010 6.809 ( 5.381 -0.682 5.396) 7.651 7.071 ( -4.869 1.225 0.771) 5.080 7.195 ( -2.927 3.318 0.828) 4.501 7.404 ( -1.797 11.960 -4.855) 13.032 7.466 ( -1.125 2.495 8.805) 9.220 7.983 ( -3.468 -4.449 -10.377) 11.811 8.000 ( 6.524 -4.387 7.559) 10.906 8.240 ( 8.525 -3.656 7.309) 11.810 8.309 ( -2.039 -9.707 -9.360) 13.638 8.843 ( -5.048 11.601 1.138) 12.703 9.187 ( 11.270 -2.394 5.654) 12.835 9.408 ( 10.592 8.410 6.499) 15.005 9.455 ( 5.560 -0.020 6.040) 8.209 9.735 ( 4.761 -3.607 5.830) 8.347 9.852 ( -2.629 0.329 0.059) 2.650 10.019 ( 3.701 0.658 -3.900) 5.417 10.257 ( -5.611 -3.436 -6.285) 9.099 10.462 ( 2.484 -1.300 -3.882) 4.789 10.510 ( -0.418 -3.144 -3.566) 4.772 10.687 ( -4.670 3.693 -1.194) 6.072 10.942 ( 1.761 0.168 -8.798) 8.974 11.471 ( -12.264 4.736 10.978) 17.128 11.866 ( 1.883 -2.658 12.535) 12.951 12.436 ( 5.734 0.734 -16.552) 17.532 12.724 ( 1.370 -4.983 -0.719) 5.218 12.987 ( 1.000 -1.789 -8.158) 8.411 13.164 ( 0.460 3.600 -6.124) 7.119 13.289 ( -2.395 -4.251 2.994) 5.725 13.517 ( -0.793 -4.471 -4.992) 6.748 14.167 ( 2.617 6.697 1.876) 7.431 14.395 ( 1.445 -3.448 1.937) 4.210 14.637 ( 6.410 6.428 3.950) 9.900 14.846 ( 4.544 2.440 0.640) 5.197 15.708 ( -3.531 -0.557 -4.567) 5.800 15.745 ( -3.605 -0.146 -2.971) 4.673 15.925 ( -4.420 -2.672 -1.193) 5.301 16.000 ( -0.691 -5.085 -8.059) 9.554 16.807 ( -1.251 5.715 4.464) 7.359 17.019 ( 1.556 0.211 -4.079) 4.371 18.182 ( -0.957 1.920 1.098) 2.410 18.398 ( -1.853 -3.744 0.750) 4.244 18.731 ( 4.423 1.202 -2.866) 5.406 19.025 ( 4.383 -4.727 3.256) 7.222 19.225 ( -2.056 1.988 -2.904) 4.076 19.271 ( 0.466 -0.872 -6.011) 6.092 20.043 ( -0.544 7.039 2.876) 7.624 20.427 ( 0.032 -2.389 -9.228) 9.532 22.251 ( 0.385 0.388 2.050) 2.122 22.256 ( -0.624 1.136 2.260) 2.605 22.537 ( -1.600 5.711 0.746) 5.978 22.617 ( 2.901 0.606 -2.494) 3.873 22.910 ( -0.590 -5.296 0.253) 5.335 22.946 ( -1.091 -4.309 0.242) 4.451 25.535 ( -0.197 -0.445 1.076) 1.181 25.563 ( -1.189 -0.375 1.084) 1.652 25.761 ( 0.021 0.489 0.691) 0.847 25.817 ( -0.735 -0.425 0.539) 1.006 26.012 ( -0.146 0.897 3.362) 3.483 26.115 ( -1.338 -1.059 1.581) 2.327 26.707 ( 0.825 1.270 -0.521) 1.601 26.904 ( -0.026 -3.441 3.238) 4.725 27.069 ( -1.686 0.480 3.112) 3.572 27.166 ( 0.974 1.559 -1.479) 2.359 27.345 ( 0.576 2.521 -4.147) 4.887 27.588 ( 5.456 -2.992 -7.685) 9.888 ======================= Grid point 116 (66/96) ======================= q-point: (-0.43 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( -19.181 -17.371 3.728) 26.145 1.807 ( -11.271 2.454 8.631) 14.406 2.211 ( 3.275 -23.246 -3.715) 23.768 2.404 ( -2.959 -0.685 -6.548) 7.218 2.681 ( 3.673 3.112 9.637) 10.773 2.794 ( -10.816 0.183 2.498) 11.102 2.950 ( 4.717 6.563 3.170) 8.681 3.125 ( -8.287 11.761 5.164) 15.287 3.170 ( -1.566 1.422 1.205) 2.434 3.247 ( 0.978 4.089 -5.947) 7.283 3.398 ( -0.900 1.170 -3.424) 3.728 3.761 ( 8.428 6.111 -4.689) 11.418 3.900 ( 5.540 3.504 9.161) 11.265 4.074 ( -6.982 -5.391 1.480) 8.944 4.206 ( -1.015 4.598 1.156) 4.849 4.243 ( 3.182 -0.297 2.431) 4.016 4.690 ( -7.914 4.083 -0.439) 8.916 4.856 ( -1.358 4.936 -2.317) 5.620 4.895 ( -5.214 -1.249 2.252) 5.815 5.068 ( 2.085 -4.963 2.132) 5.790 5.191 ( 5.398 -6.606 9.319) 12.634 5.365 ( -2.585 -3.605 0.800) 4.508 5.480 ( -0.489 -3.347 -0.353) 3.401 5.624 ( 5.050 -9.464 0.610) 10.744 5.876 ( -2.384 2.505 7.291) 8.069 6.000 ( 0.798 -2.858 1.684) 3.412 6.187 ( 0.454 5.561 24.454) 25.083 6.335 ( 1.360 8.542 15.736) 17.956 6.430 ( -3.111 -6.734 -1.951) 7.670 6.567 ( 3.868 -0.978 1.905) 4.421 6.624 ( 0.057 -5.284 -0.791) 5.343 6.796 ( -5.344 4.963 -3.908) 8.274 7.055 ( -7.796 3.313 -1.978) 8.698 7.157 ( 8.105 3.416 2.224) 9.072 7.371 ( 0.154 10.909 -5.612) 12.269 7.509 ( 2.599 2.081 3.177) 4.602 7.805 ( -5.329 -1.520 -16.840) 17.728 8.197 ( 2.920 -11.172 -2.050) 11.728 8.308 ( 5.763 -6.592 7.034) 11.231 8.443 ( 7.552 -2.905 6.298) 10.254 8.803 ( 1.690 13.750 9.431) 16.759 9.387 ( 2.797 -4.170 4.322) 6.626 9.472 ( 2.325 -2.543 0.637) 3.504 9.608 ( 1.006 1.556 2.671) 3.251 9.731 ( -3.910 6.071 -0.489) 7.238 9.879 ( 6.193 -2.061 6.007) 8.870 10.010 ( -5.562 0.869 -7.227) 9.161 10.144 ( -5.658 -6.006 -2.200) 8.540 10.378 ( -4.021 5.553 -4.916) 8.436 10.479 ( -2.132 -2.285 -3.238) 4.500 10.613 ( -2.553 1.336 -4.790) 5.590 10.961 ( 2.602 -4.778 -6.024) 8.117 11.256 ( -12.629 9.881 11.747) 19.877 11.943 ( 0.406 -5.834 14.801) 15.914 12.454 ( 0.779 0.038 -14.925) 14.945 12.681 ( -3.404 -7.834 -5.264) 10.033 12.980 ( 1.754 3.186 -6.535) 7.479 13.162 ( 0.155 1.197 -5.777) 5.901 13.249 ( -1.561 -3.819 2.819) 4.996 13.567 ( 6.999 -3.821 -4.066) 8.950 14.270 ( 6.198 6.273 3.666) 9.551 14.424 ( 0.995 -2.017 -2.268) 3.194 14.747 ( 3.021 7.825 3.058) 8.928 14.923 ( 3.054 2.549 -2.574) 4.738 15.628 ( -2.226 -0.073 -1.807) 2.868 15.680 ( -1.492 -2.201 -2.431) 3.603 15.797 ( -8.000 -2.007 -1.654) 8.413 16.001 ( 3.347 -7.098 -5.187) 9.407 16.790 ( -1.782 5.648 3.357) 6.808 17.045 ( 2.090 -0.982 -3.564) 4.246 18.181 ( 0.441 2.575 1.257) 2.900 18.365 ( -1.444 -3.582 -0.904) 3.966 18.762 ( -0.025 3.052 -0.383) 3.076 19.053 ( -1.822 -0.879 -1.600) 2.579 19.128 ( -5.077 1.545 -2.757) 5.980 19.346 ( 6.100 -4.192 -2.244) 7.735 20.034 ( -1.405 6.974 2.953) 7.703 20.392 ( -0.158 -2.433 -6.582) 7.019 22.218 ( -2.409 0.518 2.013) 3.182 22.297 ( 1.721 1.772 1.803) 3.059 22.502 ( -1.689 4.453 0.955) 4.857 22.647 ( 1.089 1.976 -3.425) 4.101 22.947 ( 4.353 -6.011 -0.003) 7.421 22.979 ( 3.942 -3.646 -0.837) 5.435 25.537 ( -0.378 -0.360 1.171) 1.282 25.550 ( -0.129 -0.429 1.225) 1.304 25.772 ( 0.688 -0.042 0.953) 1.176 25.813 ( 0.222 -0.737 -0.459) 0.896 26.035 ( 1.112 0.334 4.717) 4.858 26.099 ( -0.582 -0.374 1.014) 1.227 26.704 ( -1.172 0.636 0.819) 1.565 26.882 ( -3.086 -4.681 0.495) 5.628 27.022 ( -3.838 1.052 0.972) 4.097 27.162 ( -1.509 1.275 2.179) 2.941 27.333 ( -0.357 4.184 -3.470) 5.447 27.626 ( 1.392 -3.137 -8.823) 9.467 ======================= Grid point 117 (67/96) ======================= q-point: (-0.29 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( -13.124 -11.396 13.064) 21.744 1.706 ( -2.955 6.216 18.370) 19.617 2.289 ( 3.179 -21.672 2.875) 22.092 2.399 ( 2.491 -0.117 -0.836) 2.630 2.544 ( -12.953 8.673 5.882) 16.661 2.732 ( 0.551 -7.930 1.167) 8.035 2.971 ( -4.215 4.236 4.931) 7.748 3.034 ( -2.057 2.029 0.283) 2.903 3.184 ( 2.518 9.197 -4.296) 10.458 3.226 ( 2.804 -5.746 4.059) 7.573 3.502 ( 6.599 4.618 0.003) 8.055 3.835 ( -3.672 -6.958 -4.370) 9.000 3.909 ( -6.641 -3.209 -0.230) 7.379 4.085 ( 9.349 1.097 6.983) 11.720 4.151 ( -2.361 6.933 -0.620) 7.350 4.308 ( 1.315 1.031 2.428) 2.948 4.554 ( -6.388 -2.497 1.924) 7.123 4.763 ( -2.642 5.741 3.652) 7.299 4.919 ( 5.000 8.112 0.602) 9.548 5.053 ( -1.046 -1.697 8.185) 8.424 5.338 ( -4.702 -0.308 -1.418) 4.921 5.405 ( 8.650 -3.649 5.980) 11.131 5.506 ( 8.024 -1.389 4.305) 9.211 5.741 ( -8.540 5.254 3.472) 10.611 5.877 ( 12.592 -7.785 2.759) 15.059 6.075 ( -1.332 -11.730 -0.398) 11.812 6.149 ( -4.536 3.425 6.534) 8.660 6.315 ( -1.656 5.530 24.783) 25.447 6.480 ( -4.200 4.898 -1.195) 6.562 6.558 ( -6.272 8.593 -1.931) 10.812 6.625 ( 0.686 -1.974 15.403) 15.544 6.810 ( 8.843 -5.426 -4.578) 11.340 6.975 ( 2.627 -3.484 0.998) 4.476 7.295 ( 5.325 -0.883 -4.265) 6.879 7.337 ( -0.666 10.743 -8.315) 13.601 7.599 ( 4.178 0.554 -3.605) 5.546 7.697 ( 1.643 2.162 -7.117) 7.617 8.168 ( -2.543 -13.658 -3.501) 14.327 8.447 ( 4.931 0.011 0.193) 4.935 8.540 ( 2.970 -0.663 -1.556) 3.418 9.000 ( 9.264 6.951 20.063) 23.166 9.267 ( -10.345 0.527 -1.935) 10.538 9.392 ( -13.500 -0.658 -7.584) 15.499 9.619 ( -8.324 2.701 -3.275) 9.344 9.666 ( -1.348 -6.789 6.413) 9.436 9.828 ( -4.608 4.118 -9.189) 11.074 9.880 ( -6.649 -0.945 0.642) 6.747 10.139 ( 7.519 -1.581 3.714) 8.534 10.354 ( -0.755 2.836 -4.328) 5.229 10.382 ( -4.233 1.558 -2.891) 5.358 10.567 ( -0.050 -0.425 -2.666) 2.700 10.982 ( 0.728 -7.432 -2.624) 7.915 11.103 ( -7.139 13.497 14.558) 21.097 11.981 ( -2.389 -7.923 16.823) 18.748 12.379 ( -1.630 0.036 -10.683) 10.807 12.595 ( -3.331 -10.084 -6.114) 12.254 12.970 ( -1.902 2.847 -3.511) 4.904 13.164 ( 4.093 6.235 -9.355) 11.965 13.259 ( 1.267 -3.129 2.525) 4.216 13.714 ( 8.497 -5.777 -4.741) 11.316 14.367 ( 0.673 1.222 -3.762) 4.012 14.437 ( 3.174 2.787 -1.459) 4.469 14.765 ( -1.463 3.365 -1.872) 4.119 14.921 ( -1.892 2.734 -4.679) 5.740 15.601 ( -5.590 -0.805 0.064) 5.648 15.664 ( 0.734 2.322 2.054) 3.186 15.694 ( 3.161 -2.991 1.296) 4.541 16.075 ( 5.012 -7.459 -2.900) 9.442 16.767 ( -1.512 5.768 2.507) 6.468 17.060 ( 0.559 -2.312 -3.391) 4.142 18.206 ( 1.413 2.670 1.601) 3.419 18.343 ( -0.100 -0.573 -1.200) 1.334 18.763 ( -0.723 2.837 4.671) 5.512 18.968 ( -2.973 6.587 -5.899) 9.329 19.015 ( -6.923 -2.941 -1.063) 7.596 19.446 ( 4.770 -5.295 -3.327) 7.865 20.014 ( -1.639 6.106 3.205) 7.088 20.379 ( 0.932 -3.564 -5.749) 6.828 22.187 ( -1.206 -0.474 2.056) 2.430 22.307 ( -1.370 -0.968 1.966) 2.585 22.506 ( 1.583 6.686 1.047) 6.950 22.650 ( 1.000 4.992 -4.221) 6.614 23.043 ( 5.036 -5.833 -2.175) 8.007 23.069 ( 4.908 -3.427 -1.399) 6.147 25.534 ( -0.087 -0.116 1.133) 1.142 25.564 ( 0.678 0.638 1.640) 1.886 25.790 ( 0.631 -0.527 1.256) 1.501 25.819 ( 0.745 -0.913 -1.306) 1.760 26.074 ( 0.888 -1.234 1.899) 2.432 26.129 ( 3.714 -1.355 3.678) 5.399 26.669 ( -2.867 -0.336 2.599) 3.885 26.772 ( -7.704 -5.892 -3.928) 10.464 26.944 ( -4.305 3.490 3.588) 6.602 27.125 ( -3.046 -0.043 3.011) 4.284 27.305 ( -1.410 6.327 -2.308) 6.881 27.591 ( -1.398 -1.834 -7.245) 7.603 ======================= Grid point 118 (68/96) ======================= q-point: (-0.14 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -0.641 -2.408 19.770) 19.926 1.811 ( 1.287 12.965 25.146) 28.321 2.266 ( -4.306 9.112 15.710) 18.665 2.387 ( -1.056 -14.647 7.628) 16.548 2.473 ( 0.422 -0.949 -7.036) 7.113 2.811 ( 4.818 -18.335 0.316) 18.960 2.921 ( -0.922 6.827 1.119) 6.979 3.029 ( 3.698 -1.608 -1.539) 4.316 3.258 ( 2.539 -4.835 0.783) 5.517 3.298 ( 3.624 3.219 6.198) 7.869 3.557 ( -7.631 -8.101 -1.033) 11.177 3.661 ( 0.620 -1.757 -2.201) 2.883 3.842 ( -3.392 -0.156 0.302) 3.409 4.075 ( -2.984 3.061 -0.127) 4.277 4.266 ( 2.220 -9.836 2.546) 10.400 4.295 ( -4.214 -9.127 4.320) 10.942 4.554 ( 8.197 8.777 3.881) 12.621 4.835 ( 6.025 15.239 7.573) 18.052 5.005 ( 1.930 9.318 -1.057) 9.574 5.127 ( 5.417 4.325 10.418) 12.513 5.268 ( -2.345 5.063 0.403) 5.594 5.450 ( -8.311 1.853 2.972) 9.019 5.527 ( -5.452 14.153 -1.084) 15.206 5.718 ( 5.014 -3.893 2.593) 6.857 5.982 ( -1.111 -13.324 7.574) 15.367 6.072 ( 3.981 -7.208 1.337) 8.342 6.219 ( -0.543 1.668 4.891) 5.196 6.269 ( -7.350 3.128 1.791) 8.186 6.397 ( -1.284 7.842 5.584) 9.712 6.444 ( -1.728 2.742 11.894) 12.327 6.731 ( 4.377 -5.324 14.008) 15.611 6.981 ( 7.276 -4.537 -1.996) 8.804 7.078 ( 3.240 -3.819 -0.403) 5.024 7.309 ( 4.385 -0.019 -8.446) 9.516 7.373 ( 2.116 5.157 -3.692) 6.686 7.636 ( 5.699 -0.014 -7.394) 9.336 7.815 ( 7.693 -1.525 -0.692) 7.873 8.106 ( -2.067 -13.324 0.223) 13.485 8.506 ( 1.660 2.877 -5.494) 6.420 8.572 ( 1.134 -0.508 -3.278) 3.505 9.008 ( -14.456 1.638 -4.829) 15.329 9.102 ( -10.286 -1.420 -8.064) 13.147 9.125 ( -10.608 5.467 4.174) 12.642 9.265 ( -10.167 0.730 4.804) 11.269 9.532 ( -12.460 4.290 -4.634) 13.969 9.836 ( 4.271 -8.989 0.917) 9.995 9.910 ( 2.968 5.746 4.838) 8.077 10.203 ( 0.722 -2.049 -4.799) 5.268 10.243 ( -4.781 2.690 -0.467) 5.506 10.410 ( 2.680 -0.181 -3.505) 4.416 10.605 ( 4.095 5.177 1.699) 6.816 10.970 ( -0.327 -5.739 1.014) 5.837 11.112 ( 1.848 10.447 16.221) 19.382 11.974 ( -4.505 -8.525 17.279) 19.787 12.358 ( 2.596 -1.105 -7.900) 8.389 12.515 ( -2.365 -10.336 -4.465) 11.505 12.904 ( -2.872 4.971 -0.909) 5.813 13.235 ( 5.938 7.781 -10.981) 14.710 13.298 ( 1.545 -3.996 1.299) 4.477 13.825 ( 4.351 -7.370 -6.752) 10.901 14.322 ( -1.134 2.511 -8.051) 8.509 14.466 ( -1.274 2.867 -2.445) 3.977 14.698 ( -2.707 -3.783 -5.396) 7.124 14.826 ( -6.240 0.180 -4.156) 7.499 15.506 ( -2.021 5.967 4.340) 7.650 15.759 ( 5.130 1.990 3.294) 6.413 15.801 ( 5.991 -2.905 3.681) 7.608 16.153 ( 3.702 -6.841 -3.138) 8.388 16.752 ( -0.954 6.210 2.542) 6.778 17.047 ( -0.415 -1.270 -2.324) 2.681 18.238 ( 1.039 1.911 1.657) 2.735 18.359 ( 1.742 -0.032 -0.226) 1.757 18.722 ( -4.316 -0.187 -0.218) 4.326 18.849 ( -8.032 -2.549 -3.506) 9.127 18.990 ( 5.905 9.539 1.236) 11.286 19.497 ( 1.806 -4.765 -4.888) 7.061 19.999 ( -0.945 5.130 3.082) 6.059 20.379 ( 1.397 -4.598 -7.072) 8.550 22.190 ( 0.423 -2.133 2.804) 3.548 22.280 ( -1.647 -2.286 1.913) 3.406 22.545 ( 1.604 7.561 0.835) 7.774 22.655 ( 0.799 8.054 -4.832) 9.426 23.113 ( 2.984 -5.851 -3.117) 7.270 23.131 ( 1.725 -3.083 -2.285) 4.207 25.544 ( 0.657 0.583 1.368) 1.626 25.580 ( 0.173 1.613 1.526) 2.227 25.798 ( -0.417 -0.606 1.444) 1.620 25.835 ( 1.424 -1.109 -1.461) 2.322 26.102 ( 1.768 -1.203 0.498) 2.196 26.217 ( 1.336 -6.321 1.664) 6.672 26.611 ( -4.698 -1.609 0.974) 5.060 26.625 ( -2.123 -1.043 2.562) 3.487 26.891 ( -2.545 3.663 4.509) 6.343 27.077 ( -2.474 -1.158 1.893) 3.323 27.270 ( -1.415 7.923 -0.431) 8.060 27.537 ( -1.611 -0.816 -5.086) 5.397 ======================= Grid point 119 (69/96) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 11.573 15.144 12.957) 23.047 2.063 ( 7.576 -20.230 9.001) 23.402 2.154 ( -7.029 15.201 14.281) 22.009 2.361 ( -5.311 -4.506 -0.409) 6.977 2.613 ( -0.049 2.039 9.078) 9.305 2.635 ( 0.029 9.350 4.122) 10.218 2.838 ( 2.911 -10.597 9.169) 14.312 2.959 ( -0.659 -15.987 3.025) 16.284 3.217 ( 6.013 7.913 2.597) 10.272 3.383 ( 5.123 -6.016 -0.727) 7.935 3.531 ( 2.940 8.122 7.976) 11.757 3.672 ( 1.289 -2.892 2.363) 3.951 3.774 ( -0.109 -1.791 -1.427) 2.293 3.856 ( -4.279 -11.067 -2.134) 12.056 4.131 ( 0.220 5.829 1.157) 5.947 4.251 ( 0.751 -5.059 -0.711) 5.163 4.904 ( -0.361 11.507 6.610) 13.275 5.032 ( -1.920 -0.794 3.429) 4.010 5.314 ( 7.290 9.962 10.181) 16.001 5.382 ( -8.160 9.334 -0.215) 12.400 5.447 ( -1.024 2.250 8.846) 9.185 5.476 ( 7.727 7.310 2.556) 10.939 5.555 ( -0.631 -4.884 6.576) 8.216 5.679 ( -1.758 -6.067 2.527) 6.803 5.838 ( -2.723 0.364 3.534) 4.476 5.906 ( 1.148 -4.410 2.308) 5.108 6.152 ( -7.041 4.575 -4.744) 9.645 6.252 ( -3.145 -0.647 -7.031) 7.730 6.460 ( -0.692 5.739 -0.516) 5.804 6.638 ( -0.290 -2.253 14.671) 14.846 6.771 ( 5.836 -2.544 12.203) 13.765 6.840 ( -0.512 -9.208 0.765) 9.254 7.088 ( 0.950 4.221 -2.162) 4.836 7.255 ( -3.012 -9.021 -4.962) 10.727 7.467 ( -1.590 7.902 -2.924) 8.574 7.625 ( -1.659 -6.558 -4.141) 7.932 7.937 ( 7.855 -0.878 2.945) 8.435 7.968 ( 6.595 -4.181 4.309) 8.918 8.435 ( -6.204 1.374 -4.864) 8.002 8.489 ( -5.406 -3.611 -4.167) 7.722 8.867 ( -10.824 4.901 -7.657) 14.135 8.944 ( -9.996 -2.197 -3.816) 10.923 8.968 ( -1.005 4.499 -6.964) 8.352 9.055 ( 1.793 -3.509 -5.629) 6.871 9.546 ( -2.332 9.033 7.430) 11.927 9.712 ( 0.133 -8.183 4.744) 9.460 10.109 ( 0.800 6.114 2.705) 6.733 10.200 ( -1.573 -2.168 -0.074) 2.680 10.265 ( 2.211 4.676 -3.241) 6.105 10.371 ( 1.271 -5.085 -3.547) 6.328 10.822 ( 5.371 4.197 1.617) 7.005 10.895 ( 4.138 -3.985 0.385) 5.758 11.462 ( 1.829 13.147 17.499) 21.964 11.735 ( -1.795 -13.345 15.713) 20.693 12.357 ( 2.771 -0.462 -3.118) 4.196 12.385 ( 2.690 -2.502 -7.110) 8.003 13.010 ( 0.158 7.428 0.811) 7.474 13.165 ( -0.219 -8.115 2.479) 8.488 13.463 ( 1.886 8.478 -12.626) 15.325 13.639 ( -0.377 -9.624 -10.948) 14.582 14.391 ( 1.635 5.189 -2.741) 6.092 14.447 ( -4.486 3.134 -3.002) 6.242 14.541 ( -2.604 -4.123 -5.716) 7.513 14.589 ( -7.317 -4.793 -5.658) 10.417 15.734 ( 4.695 8.162 3.946) 10.209 15.854 ( 4.661 -4.151 3.393) 7.105 15.916 ( 2.548 4.646 0.126) 5.300 16.043 ( 1.358 -7.621 -2.364) 8.094 16.895 ( 0.282 7.222 3.039) 7.840 17.009 ( 0.679 -3.887 1.123) 4.103 18.266 ( -1.826 1.822 -1.908) 3.209 18.322 ( -1.139 -3.615 -2.750) 4.683 18.660 ( -1.893 3.674 0.999) 4.252 18.730 ( -0.317 -2.735 1.162) 2.988 19.268 ( 3.411 6.566 -2.175) 7.712 19.386 ( -0.005 -5.457 -4.462) 7.049 20.122 ( 0.865 7.284 -0.994) 7.402 20.268 ( 1.860 -7.117 -4.840) 8.805 22.188 ( 0.217 0.351 2.744) 2.774 22.216 ( -0.489 -2.120 2.086) 3.014 22.715 ( -0.114 7.891 -1.309) 8.000 22.795 ( -0.587 3.592 -5.120) 6.281 23.002 ( -0.831 -4.082 -1.933) 4.593 23.042 ( -1.545 -4.720 -3.592) 6.129 25.589 ( -0.056 1.469 1.983) 2.468 25.605 ( -0.497 0.264 1.617) 1.712 25.792 ( 0.065 1.020 0.615) 1.193 25.827 ( 1.178 -2.118 -0.503) 2.476 26.091 ( -3.076 -0.865 2.207) 3.884 26.101 ( -0.180 -1.591 1.482) 2.182 26.586 ( 1.329 0.840 2.529) 2.978 26.624 ( 3.874 -3.091 1.994) 5.342 26.962 ( 0.913 3.416 1.836) 3.984 27.018 ( 0.147 -2.243 0.453) 2.293 27.393 ( -0.589 5.586 -0.821) 5.676 27.469 ( -1.054 -2.314 -2.261) 3.403 ======================= Grid point 120 (70/96) ======================= q-point: ( 0.14 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 6.118 12.701 13.075) 19.227 2.034 ( -7.739 6.082 3.200) 10.350 2.171 ( -1.485 -11.284 0.443) 11.390 2.267 ( -2.387 -17.106 5.796) 18.219 2.564 ( 4.099 15.031 6.056) 16.716 2.813 ( 7.282 -0.907 5.547) 9.199 2.938 ( 3.819 -0.223 7.179) 8.134 3.070 ( 8.220 -9.966 0.807) 12.944 3.301 ( 0.725 3.432 1.089) 3.673 3.421 ( -2.121 -6.120 -3.083) 7.174 3.608 ( 2.651 4.992 9.047) 10.667 3.711 ( 2.012 3.520 0.549) 4.091 3.745 ( -3.327 -5.805 -2.034) 6.993 3.839 ( 4.211 -5.499 0.212) 6.930 4.152 ( 0.852 4.341 1.694) 4.737 4.266 ( 0.181 -7.027 -0.421) 7.042 4.897 ( -3.766 13.525 4.706) 14.807 4.998 ( -5.558 2.777 5.901) 8.569 5.119 ( -8.115 8.994 1.833) 12.252 5.307 ( -10.878 -7.477 1.129) 13.248 5.515 ( -2.034 6.155 5.285) 8.364 5.542 ( 4.156 12.055 4.251) 13.441 5.608 ( -4.087 -0.319 2.679) 4.897 5.765 ( 6.158 -2.313 8.273) 10.570 5.814 ( 7.092 -2.407 7.178) 10.374 5.909 ( -3.119 -9.047 4.438) 10.549 6.062 ( 0.094 8.462 -5.088) 9.874 6.166 ( -1.781 -1.179 -8.711) 8.970 6.442 ( -4.218 0.332 -0.155) 4.234 6.636 ( -1.424 -14.557 -3.624) 15.069 6.835 ( -2.650 7.836 16.036) 18.044 6.947 ( 5.131 -2.690 13.819) 14.984 6.978 ( -10.985 0.791 -6.330) 12.703 7.077 ( -9.510 -6.082 6.556) 13.054 7.488 ( 3.159 6.899 -0.321) 7.595 7.657 ( 4.845 -8.956 1.964) 10.370 7.915 ( -9.604 0.754 -1.563) 9.760 7.943 ( -5.824 -2.492 -0.770) 6.381 8.370 ( -4.048 1.518 -9.240) 10.202 8.452 ( -3.446 -6.082 -8.136) 10.726 8.689 ( 3.826 4.463 -1.101) 5.981 8.778 ( 4.072 -4.286 -0.887) 5.978 9.117 ( 11.586 8.933 -1.218) 14.681 9.256 ( 14.212 -4.419 -2.366) 15.070 9.524 ( -2.734 11.755 8.891) 14.990 9.724 ( -0.050 -8.062 4.162) 9.073 10.109 ( -1.723 -0.187 2.581) 3.109 10.114 ( -3.860 -0.046 -1.267) 4.063 10.356 ( 6.138 1.560 -5.135) 8.153 10.401 ( 2.777 -3.753 -2.370) 5.236 10.897 ( 1.673 5.319 0.005) 5.576 10.960 ( 2.462 -1.376 -2.756) 3.944 11.570 ( 2.550 8.272 15.113) 17.417 11.757 ( -1.710 -9.303 13.147) 16.196 12.400 ( 3.001 1.270 -5.949) 6.783 12.444 ( 5.348 -3.289 -3.927) 7.405 13.019 ( 0.646 6.754 -1.407) 6.929 13.166 ( -0.461 -7.705 1.851) 7.938 13.422 ( -1.213 6.613 -11.860) 13.633 13.565 ( -2.794 -8.121 -10.019) 13.196 14.305 ( -5.354 4.075 -3.147) 7.428 14.394 ( -5.376 -3.878 -0.841) 6.682 14.478 ( 4.701 5.735 -2.454) 7.811 14.604 ( 4.917 -5.858 -0.262) 7.652 15.815 ( 1.797 6.801 1.548) 7.203 15.901 ( -0.716 -0.133 -0.505) 0.887 15.953 ( 1.492 -0.032 -0.118) 1.497 16.029 ( -1.074 -6.322 -5.302) 8.321 16.912 ( 0.173 7.011 3.702) 7.930 17.017 ( -0.191 -3.244 0.287) 3.262 18.233 ( -0.575 1.740 -1.103) 2.138 18.309 ( 0.764 -5.756 -1.865) 6.099 18.664 ( 1.571 5.718 1.346) 6.080 18.749 ( 1.757 -2.452 1.100) 3.211 19.302 ( 0.824 2.202 -2.746) 3.615 19.348 ( -1.784 -2.808 -4.301) 5.437 20.149 ( 2.186 7.837 -1.588) 8.290 20.301 ( 3.348 -7.130 -6.062) 9.940 22.207 ( 0.682 -0.308 2.841) 2.938 22.218 ( -0.041 -1.193 1.992) 2.322 22.696 ( -1.190 6.900 -1.266) 7.116 22.751 ( -2.031 4.606 -3.269) 6.003 22.945 ( -4.179 -4.552 -1.349) 6.325 22.975 ( -3.948 -5.181 -1.734) 6.741 25.577 ( -1.556 1.242 1.520) 2.505 25.595 ( -1.141 -0.269 1.632) 2.009 25.795 ( -0.068 1.850 0.238) 1.866 25.838 ( -0.091 -2.132 -0.531) 2.200 26.045 ( -1.966 1.714 2.657) 3.723 26.096 ( -0.878 -3.085 2.164) 3.870 26.647 ( 3.735 2.524 0.893) 4.596 26.720 ( 4.429 -4.751 0.963) 6.566 27.022 ( 4.165 1.269 1.518) 4.611 27.047 ( 2.628 -1.083 -0.471) 2.881 27.387 ( 0.427 4.570 -1.133) 4.728 27.449 ( -0.070 -1.784 -1.741) 2.493 ======================= Grid point 121 (71/96) ======================= q-point: ( 0.29 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( -8.569 -1.517 -4.447) 9.773 2.009 ( -9.292 -14.445 -6.665) 18.423 2.101 ( 6.132 10.547 12.124) 17.200 2.354 ( 5.617 -13.921 10.556) 18.351 2.734 ( 4.382 14.699 6.541) 16.675 2.930 ( -5.198 2.393 -0.102) 5.724 2.984 ( 8.671 9.482 1.710) 12.962 3.156 ( -1.474 -1.793 -4.561) 5.118 3.310 ( -1.169 -6.382 2.017) 6.794 3.339 ( -1.407 -11.038 0.293) 11.131 3.658 ( -0.593 7.912 0.949) 7.991 3.731 ( 1.170 1.837 1.424) 2.602 3.783 ( 6.039 1.984 1.134) 6.457 3.905 ( 4.031 -6.567 0.614) 7.730 4.150 ( -1.969 1.461 0.185) 2.459 4.260 ( 0.270 -9.754 2.088) 9.979 4.738 ( -9.979 16.564 4.445) 19.842 4.923 ( -4.156 -1.958 4.183) 6.213 5.050 ( -3.344 8.748 0.993) 9.418 5.243 ( 2.478 0.946 8.372) 8.782 5.399 ( -9.948 -6.388 -0.824) 11.851 5.411 ( -8.714 0.808 -1.006) 8.809 5.641 ( -5.683 4.444 -1.306) 7.332 5.709 ( -5.339 2.783 -2.815) 6.647 5.866 ( -3.890 -2.565 0.080) 4.660 5.951 ( 2.732 -1.353 7.168) 7.789 6.128 ( 1.676 -0.339 -4.465) 4.781 6.229 ( 6.146 -4.548 7.700) 10.851 6.405 ( 5.899 4.477 9.261) 11.858 6.551 ( -5.949 -7.483 3.236) 10.093 6.704 ( -9.249 2.331 1.788) 9.704 6.742 ( -9.174 -0.493 -3.450) 9.813 7.044 ( 1.382 0.286 14.078) 14.149 7.124 ( 3.971 -5.673 15.784) 17.236 7.556 ( 1.996 9.653 1.418) 9.959 7.691 ( -4.759 -0.133 -2.920) 5.585 7.784 ( 0.246 0.127 7.078) 7.084 7.905 ( 3.636 -10.436 4.777) 12.040 8.178 ( -7.356 3.040 -16.957) 18.732 8.278 ( -6.314 -6.373 -15.117) 17.579 8.918 ( 12.700 2.544 4.823) 13.821 8.971 ( 9.035 -2.158 3.200) 9.825 9.328 ( 8.238 9.092 4.005) 12.906 9.474 ( 7.786 1.432 -2.221) 8.222 9.545 ( 2.423 6.473 11.034) 13.020 9.752 ( 1.819 -7.525 2.595) 8.165 10.046 ( -1.738 0.880 0.258) 1.965 10.124 ( 1.693 -7.699 2.791) 8.362 10.430 ( 3.724 1.868 -8.223) 9.218 10.455 ( 3.581 -1.355 -5.006) 6.302 10.880 ( -3.036 5.911 -1.248) 6.761 10.963 ( -0.631 -1.765 -5.233) 5.559 11.639 ( -1.309 5.013 11.742) 12.834 11.759 ( -1.993 -5.838 9.681) 11.480 12.441 ( 3.956 4.170 -7.672) 9.586 12.543 ( 5.657 -5.777 -3.828) 8.946 13.018 ( 0.371 5.932 -4.098) 7.219 13.161 ( -0.482 -7.416 0.698) 7.465 13.343 ( -2.344 5.540 -10.283) 11.913 13.470 ( -3.384 -7.187 -8.125) 11.363 14.241 ( -0.309 4.370 -0.007) 4.381 14.325 ( -1.271 -3.884 1.397) 4.319 14.604 ( 7.605 6.958 1.709) 10.448 14.724 ( 6.585 -4.264 2.717) 8.302 15.797 ( -2.916 3.335 -3.548) 5.676 15.847 ( -3.982 -0.378 -2.888) 4.934 15.949 ( -1.925 -1.133 -1.823) 2.883 15.976 ( -2.026 -3.739 -5.711) 7.121 16.926 ( -0.041 5.964 2.975) 6.665 17.008 ( -0.290 -2.199 -1.055) 2.456 18.230 ( -0.099 2.590 0.890) 2.741 18.317 ( -0.134 -6.063 -0.189) 6.068 18.724 ( 4.009 5.623 0.792) 6.951 18.815 ( 4.558 -3.718 1.722) 6.129 19.274 ( -1.741 0.957 -4.117) 4.571 19.306 ( -1.282 -1.863 -3.709) 4.344 20.187 ( 2.057 8.534 -1.925) 8.987 20.341 ( 2.771 -6.714 -6.683) 9.870 22.232 ( 0.966 0.043 1.942) 2.169 22.238 ( 1.347 -0.642 3.041) 3.387 22.667 ( -1.246 5.833 -0.998) 6.047 22.706 ( -1.412 5.877 -1.501) 6.228 22.848 ( -4.859 -5.479 -0.503) 7.340 22.887 ( -4.166 -6.257 -0.235) 7.521 25.551 ( -1.388 1.007 0.973) 1.972 25.573 ( -1.529 -0.975 1.210) 2.180 25.788 ( -0.569 1.685 0.061) 1.779 25.822 ( -1.125 -1.433 -0.326) 1.851 26.035 ( -0.383 2.205 2.882) 3.649 26.088 ( -0.741 -2.885 2.503) 3.891 26.716 ( 2.917 3.031 -0.859) 4.294 26.792 ( 2.639 -4.379 0.256) 5.119 27.089 ( 1.585 1.272 2.692) 3.373 27.116 ( 3.663 -1.362 -0.336) 3.922 27.400 ( 1.481 3.849 -2.712) 4.936 27.464 ( 2.488 -2.407 -2.681) 4.379 ======================= Grid point 122 (72/96) ======================= q-point: (-0.57 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( -9.447 -5.513 -4.447) 11.808 1.790 ( -9.793 -15.886 -7.812) 20.231 2.210 ( -1.717 10.623 6.931) 12.800 2.463 ( -1.985 -13.993 3.689) 14.606 2.710 ( -1.969 13.672 6.192) 15.137 2.845 ( -0.088 1.167 -0.074) 1.173 3.003 ( -6.645 4.866 -2.190) 8.523 3.204 ( -6.576 -11.808 3.070) 13.860 3.220 ( 6.867 7.667 0.254) 10.296 3.354 ( 0.072 -7.382 0.393) 7.393 3.638 ( -3.639 12.440 1.917) 13.102 3.754 ( 2.424 1.360 -1.787) 3.304 3.919 ( 9.754 13.479 2.380) 16.808 4.048 ( 4.298 -3.889 2.762) 6.421 4.092 ( -3.155 -2.180 -0.808) 3.919 4.364 ( 9.948 -22.280 3.206) 24.610 4.573 ( -8.379 17.935 7.512) 21.173 4.831 ( -7.397 -7.136 6.656) 12.244 5.041 ( 1.816 7.268 -4.555) 8.767 5.147 ( -10.610 1.545 -2.537) 11.018 5.230 ( -6.483 3.884 0.343) 7.565 5.312 ( -5.719 -5.443 0.274) 7.899 5.473 ( -3.312 0.986 -4.551) 5.714 5.589 ( -6.806 -7.617 -2.355) 10.483 5.856 ( 2.909 3.916 1.704) 5.167 5.948 ( -1.357 -5.053 3.814) 6.475 6.172 ( 1.035 2.350 5.242) 5.838 6.256 ( -4.847 -2.203 14.797) 15.726 6.463 ( -5.038 -0.674 7.724) 9.247 6.526 ( -2.686 -3.064 5.643) 6.960 6.652 ( 4.817 7.910 1.848) 9.444 6.765 ( 9.190 -3.783 2.891) 10.350 7.104 ( 1.607 3.899 6.970) 8.146 7.203 ( -1.027 -4.095 7.549) 8.649 7.553 ( -1.488 6.608 0.578) 6.798 7.600 ( -2.529 4.963 -4.006) 6.861 7.894 ( 3.553 -0.788 6.997) 7.887 7.974 ( -1.436 -2.733 -4.660) 5.590 8.099 ( 5.709 -4.850 0.157) 7.493 8.156 ( 1.588 -6.493 -7.424) 9.989 9.046 ( 0.214 7.845 1.339) 7.961 9.142 ( 7.102 -2.777 3.757) 8.501 9.459 ( 3.187 4.320 5.572) 7.737 9.600 ( -0.276 -7.564 5.435) 9.318 9.646 ( 9.521 10.271 3.495) 14.434 9.817 ( 3.707 -5.187 2.442) 6.827 10.048 ( 0.978 3.085 1.170) 3.442 10.144 ( -2.306 -6.376 1.135) 6.874 10.461 ( 2.929 0.616 -8.224) 8.752 10.475 ( 0.400 -0.994 -6.770) 6.854 10.785 ( -5.262 6.491 -3.157) 8.932 10.905 ( -2.758 -4.506 -6.492) 8.370 11.594 ( -6.556 7.874 9.932) 14.270 11.760 ( -1.584 -7.930 9.201) 12.250 12.489 ( 3.413 4.748 -9.215) 10.914 12.605 ( 1.762 -6.579 -6.527) 9.433 13.014 ( 0.904 4.896 -4.605) 6.782 13.147 ( -1.238 -7.324 -1.154) 7.517 13.278 ( -0.410 5.584 -7.225) 9.141 13.404 ( 0.399 -6.587 -6.136) 9.010 14.283 ( 3.547 4.365 2.237) 6.053 14.344 ( 1.926 -2.280 2.406) 3.834 14.772 ( 8.016 6.991 3.933) 11.340 14.867 ( 6.463 -1.644 3.400) 7.486 15.706 ( -4.101 0.996 -5.271) 6.752 15.739 ( -5.108 -1.243 -4.476) 6.904 15.874 ( -3.910 -1.291 -3.917) 5.683 15.903 ( -3.563 -3.793 -5.249) 7.391 16.927 ( -0.832 5.612 1.917) 5.989 17.005 ( 0.302 -2.139 -1.408) 2.578 18.230 ( -0.208 2.912 1.430) 3.251 18.303 ( -0.961 -4.718 0.454) 4.837 18.809 ( 3.678 5.457 1.198) 6.689 18.919 ( 4.295 -5.639 2.741) 7.600 19.238 ( -0.282 0.492 -3.646) 3.690 19.259 ( -1.744 -1.030 -5.027) 5.419 20.205 ( 0.370 8.492 -2.142) 8.766 20.348 ( 0.287 -5.758 -6.276) 8.522 22.263 ( 0.489 1.105 2.919) 3.160 22.278 ( 1.623 0.136 2.336) 2.848 22.634 ( -2.013 4.846 -0.221) 5.252 22.696 ( 1.224 6.351 -1.513) 6.643 22.773 ( -2.050 -7.165 0.502) 7.469 22.840 ( 0.037 -6.381 -0.774) 6.428 25.534 ( -0.586 0.420 0.793) 1.072 25.549 ( -1.209 -0.923 0.804) 1.721 25.778 ( -0.419 1.123 0.131) 1.205 25.801 ( -0.724 -1.113 -0.250) 1.351 26.042 ( -0.139 2.042 3.323) 3.903 26.084 ( -0.635 -2.006 2.476) 3.250 26.746 ( 0.529 2.836 -1.455) 3.231 26.819 ( 0.138 -4.481 -0.873) 4.568 27.107 ( -0.947 2.788 3.533) 4.599 27.158 ( 0.300 -1.973 1.895) 2.752 27.422 ( 1.814 4.778 -3.807) 6.373 27.514 ( 3.440 -4.371 -4.905) 7.416 ======================= Grid point 123 (73/96) ======================= q-point: (-0.43 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -10.859 -3.631 -0.855) 11.482 1.620 ( -3.782 -17.626 -3.143) 18.299 2.094 ( -8.914 9.722 4.816) 14.042 2.314 ( -8.091 -9.850 0.411) 12.754 2.809 ( 3.535 7.355 11.253) 13.901 2.830 ( -6.996 5.663 0.852) 9.041 2.947 ( 4.319 -2.783 4.923) 7.116 3.052 ( -7.248 -8.967 2.733) 11.850 3.333 ( 2.480 3.581 -1.500) 4.607 3.387 ( 4.021 -1.423 0.268) 4.274 3.496 ( -10.288 17.883 2.460) 20.777 3.780 ( -3.815 -8.449 -0.240) 9.274 3.995 ( -2.362 2.533 -1.230) 3.675 4.048 ( -1.311 3.356 1.460) 3.888 4.170 ( 6.843 4.430 0.360) 8.160 4.328 ( -7.400 -2.151 -3.039) 8.284 4.681 ( -0.075 -0.634 7.738) 7.764 4.794 ( 13.198 -10.089 9.861) 19.319 4.988 ( -3.631 7.431 -3.359) 8.927 5.036 ( -2.185 1.360 1.289) 2.879 5.153 ( -0.307 4.063 2.672) 4.873 5.272 ( 2.353 -6.587 2.307) 7.365 5.425 ( -0.213 -0.501 -2.799) 2.851 5.483 ( -2.030 -5.652 -5.435) 8.100 5.919 ( -1.230 1.994 5.451) 5.933 5.958 ( 1.214 -1.728 2.595) 3.346 6.211 ( -2.369 -0.882 11.893) 12.159 6.279 ( 7.927 -6.945 6.963) 12.631 6.408 ( -3.725 4.938 13.337) 14.701 6.517 ( -0.930 -4.742 10.880) 11.905 6.743 ( 1.532 9.408 -0.176) 9.534 6.853 ( 0.107 -0.940 -3.023) 3.168 7.127 ( -6.998 4.801 1.194) 8.570 7.193 ( 3.796 -0.747 -0.361) 3.885 7.552 ( -0.578 5.013 -4.124) 6.517 7.560 ( 2.015 2.925 2.680) 4.449 7.813 ( -4.000 3.434 -11.089) 12.278 7.967 ( -2.356 -11.373 -7.052) 13.588 8.245 ( 10.478 1.370 8.470) 13.542 8.340 ( 9.594 -6.597 6.380) 13.276 9.062 ( 1.825 12.189 6.333) 13.857 9.267 ( 4.943 -8.433 5.321) 11.130 9.466 ( -3.195 2.274 0.295) 3.932 9.551 ( -5.451 -5.513 -0.533) 7.771 9.863 ( 8.334 5.356 3.488) 10.503 9.888 ( 1.094 2.124 4.253) 4.878 10.013 ( -6.933 -0.595 -1.486) 7.115 10.043 ( -4.086 -3.656 -2.935) 6.219 10.440 ( -1.153 1.502 -4.122) 4.536 10.470 ( -0.283 -0.455 -5.590) 5.616 10.673 ( -4.365 6.122 -4.076) 8.552 10.828 ( -2.428 -8.300 -5.084) 10.032 11.491 ( -7.244 13.452 11.063) 18.863 11.756 ( -2.649 -12.605 11.300) 17.134 12.480 ( -1.107 2.848 -10.444) 10.881 12.558 ( -2.983 -4.961 -9.167) 10.842 13.020 ( 0.859 3.071 -2.184) 3.865 13.119 ( -0.588 -6.105 0.067) 6.134 13.289 ( 3.911 7.758 -7.034) 11.179 13.450 ( 5.910 -7.728 -6.349) 11.617 14.368 ( 3.626 2.944 1.846) 5.022 14.397 ( 2.634 -0.831 0.555) 2.817 14.905 ( 2.965 7.024 2.498) 8.023 14.972 ( 2.810 0.702 0.234) 2.906 15.622 ( -2.309 0.113 -3.461) 4.162 15.644 ( -2.395 -1.406 -3.245) 4.271 15.775 ( -4.512 0.432 -2.571) 5.211 15.846 ( 0.636 -7.023 -3.911) 8.063 16.910 ( -1.344 5.888 1.250) 6.168 17.003 ( -0.066 -3.417 -1.274) 3.647 18.240 ( 0.855 3.125 1.400) 3.530 18.298 ( 0.470 -2.971 0.932) 3.149 18.856 ( 0.359 5.769 1.900) 6.084 18.969 ( -0.489 -5.509 1.862) 5.835 19.191 ( -2.225 3.081 -5.493) 6.679 19.257 ( 2.703 -4.121 -3.673) 6.147 20.187 ( -1.286 7.766 -1.721) 8.058 20.317 ( -1.013 -5.282 -4.784) 7.198 22.250 ( -2.493 2.514 2.375) 4.263 22.299 ( -1.035 -1.773 2.009) 2.872 22.615 ( 0.862 7.145 0.697) 7.231 22.721 ( 1.698 2.866 -2.247) 4.018 22.808 ( 5.152 -5.267 -0.080) 7.368 22.880 ( 4.229 -6.113 -2.060) 7.713 25.533 ( -0.082 0.044 0.847) 0.852 25.539 ( 0.290 -0.517 0.975) 1.141 25.776 ( 0.171 0.578 0.309) 0.677 25.793 ( 0.039 -1.084 -0.361) 1.143 26.053 ( -0.023 1.438 3.778) 4.043 26.082 ( -0.332 -1.306 2.356) 2.714 26.726 ( -2.141 1.846 -0.745) 2.923 26.785 ( -3.204 -4.286 -1.777) 5.639 27.080 ( -3.055 3.778 3.743) 6.133 27.145 ( -2.341 -2.496 2.897) 4.484 27.437 ( 1.044 5.752 -3.917) 7.037 27.544 ( 1.450 -4.981 -5.602) 7.636 ======================= Grid point 124 (74/96) ======================= q-point: (-0.29 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( -1.594 6.960 7.925) 10.667 1.651 ( 6.099 -20.551 5.846) 22.220 2.005 ( -1.847 7.866 11.789) 14.292 2.248 ( 0.424 -12.809 7.783) 14.994 2.710 ( -5.040 6.654 0.064) 8.347 2.808 ( -5.499 3.985 4.805) 8.319 2.973 ( -5.728 -1.546 6.171) 8.560 3.031 ( 1.508 -2.464 4.817) 5.617 3.252 ( -8.868 11.576 3.611) 15.023 3.370 ( 0.562 10.264 0.964) 10.324 3.523 ( 5.248 -5.368 -0.718) 7.542 3.570 ( -11.991 -14.795 -1.271) 19.086 3.926 ( -6.953 0.842 -0.582) 7.028 4.010 ( -2.894 -7.186 1.182) 7.836 4.166 ( -2.800 2.194 -3.204) 4.787 4.263 ( 1.091 -3.373 0.030) 3.545 4.784 ( 5.386 18.969 1.197) 19.755 4.989 ( 2.917 7.419 0.658) 7.999 5.040 ( 7.231 3.637 4.417) 9.221 5.070 ( 5.305 3.717 13.982) 15.410 5.262 ( 2.719 -6.551 9.901) 12.180 5.295 ( 3.430 -5.820 3.894) 7.798 5.473 ( 6.902 -1.695 -1.017) 7.180 5.552 ( 9.158 -12.992 -2.884) 16.155 5.869 ( -4.921 1.486 2.414) 5.679 5.915 ( -5.007 -4.257 -0.074) 6.572 6.276 ( 4.908 9.260 3.967) 11.206 6.423 ( -1.156 3.754 21.281) 21.640 6.471 ( 1.648 -5.057 -1.182) 5.449 6.533 ( 1.512 -5.305 14.753) 15.750 6.730 ( -1.993 4.928 3.266) 6.239 6.855 ( 1.407 -5.720 1.821) 6.165 6.952 ( -6.533 16.383 -5.496) 18.474 7.211 ( 0.203 -7.596 -9.829) 12.424 7.555 ( 1.941 8.321 -1.654) 8.703 7.624 ( 2.749 1.635 -1.449) 3.511 7.719 ( -1.410 1.072 -7.362) 7.572 7.874 ( -4.105 -14.141 -5.077) 15.575 8.454 ( 8.029 1.535 1.373) 8.289 8.503 ( 5.792 -2.886 -0.626) 6.502 9.175 ( 4.065 10.026 12.487) 16.522 9.285 ( -7.717 0.437 -0.054) 7.730 9.365 ( -12.190 -1.352 -5.547) 13.461 9.452 ( 2.687 -10.844 7.436) 13.420 9.712 ( -12.921 4.987 -5.711) 14.982 9.806 ( -10.755 -4.230 -5.693) 12.883 9.996 ( 3.028 8.055 3.543) 9.306 10.103 ( 5.692 -2.898 1.394) 6.538 10.385 ( -3.671 1.609 -4.159) 5.776 10.415 ( -1.752 -0.346 -6.599) 6.837 10.619 ( 0.372 6.340 0.643) 6.384 10.794 ( -0.018 -10.492 0.194) 10.494 11.411 ( -5.237 16.977 13.707) 22.439 11.740 ( -3.531 -15.726 13.904) 21.286 12.393 ( -2.891 1.929 -8.921) 9.575 12.457 ( -3.280 -4.625 -8.997) 10.634 13.024 ( -0.342 4.019 0.635) 4.083 13.131 ( 0.919 -6.187 2.454) 6.719 13.361 ( 6.202 9.870 -10.550) 15.722 13.557 ( 7.075 -9.610 -8.235) 14.499 14.406 ( 0.430 2.468 -2.517) 3.551 14.449 ( 2.250 -1.393 -0.871) 2.786 14.872 ( -5.613 6.211 -3.978) 9.269 14.951 ( -4.556 -0.968 -3.664) 5.926 15.599 ( 0.200 1.128 -0.095) 1.150 15.639 ( 2.566 -2.524 0.051) 3.599 15.741 ( 2.252 5.856 1.773) 6.520 15.897 ( 4.695 -9.503 -0.369) 10.606 16.890 ( -0.978 6.126 0.992) 6.282 16.994 ( -0.301 -4.373 -0.757) 4.448 18.270 ( 1.458 3.504 1.352) 4.029 18.325 ( 1.543 -1.722 0.924) 2.490 18.828 ( -3.999 3.626 1.350) 5.564 18.907 ( -5.805 -4.628 -0.404) 7.435 19.152 ( 0.948 8.671 -4.672) 9.895 19.313 ( 4.037 -7.763 -3.504) 9.425 20.152 ( -1.638 7.311 -0.729) 7.528 20.284 ( -0.737 -5.964 -3.578) 6.994 22.206 ( -2.326 2.185 1.944) 3.737 22.261 ( -2.701 -3.088 1.819) 4.488 22.662 ( 2.775 8.447 0.377) 8.899 22.758 ( 3.067 2.894 -3.537) 5.504 22.916 ( 5.377 -4.205 -1.828) 7.066 22.974 ( 5.622 -5.841 -2.901) 8.610 25.543 ( 0.788 0.958 1.132) 1.679 25.563 ( 1.402 -0.782 1.454) 2.166 25.784 ( 0.341 0.139 0.510) 0.629 25.798 ( 0.471 -1.099 -0.497) 1.295 26.068 ( 0.293 0.724 2.929) 3.032 26.096 ( 0.827 -1.798 2.834) 3.457 26.664 ( -3.866 0.130 0.862) 3.963 26.688 ( -5.738 -2.592 -1.121) 6.395 27.024 ( -3.718 4.230 3.361) 6.558 27.095 ( -3.507 -2.783 2.379) 5.070 27.432 ( -0.174 6.058 -3.028) 6.775 27.533 ( -0.458 -4.088 -4.687) 6.236 ======================= Grid point 125 (75/96) ======================= q-point: (-0.14 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 8.498 14.911 12.746) 21.378 1.852 ( 10.097 -22.324 8.998) 26.101 2.104 ( 4.609 10.913 18.401) 21.884 2.359 ( 4.693 -11.923 8.690) 15.482 2.609 ( -6.721 10.350 5.202) 13.392 2.705 ( -5.525 11.338 7.386) 14.616 2.841 ( -5.446 -9.106 0.752) 10.637 3.046 ( -4.366 -12.587 6.158) 14.677 3.141 ( -2.410 8.480 0.724) 8.846 3.336 ( -1.510 -7.602 0.556) 7.770 3.459 ( 1.046 5.546 3.312) 6.544 3.624 ( 3.425 -5.258 1.608) 6.478 3.810 ( -3.474 -0.410 -1.085) 3.663 3.934 ( -3.520 -12.517 -0.731) 13.023 4.142 ( -0.883 6.317 -0.909) 6.443 4.258 ( -0.931 -3.544 -0.597) 3.712 4.866 ( 2.450 16.191 3.938) 16.842 5.036 ( 1.189 1.822 2.799) 3.545 5.156 ( 3.550 6.409 7.700) 10.628 5.261 ( 6.938 -0.192 3.958) 7.990 5.345 ( 8.314 8.368 10.817) 16.005 5.442 ( 2.669 0.595 9.149) 9.549 5.621 ( 3.949 -3.827 2.455) 6.022 5.688 ( 0.654 -12.293 -2.875) 12.642 5.742 ( -2.164 5.691 3.967) 7.267 5.900 ( 2.766 -9.451 1.668) 9.988 6.320 ( -5.291 3.358 -0.674) 6.303 6.350 ( -5.823 3.257 -3.860) 7.709 6.510 ( 3.670 7.486 12.375) 14.921 6.579 ( -6.374 5.867 7.137) 11.224 6.667 ( -3.071 0.772 13.960) 14.315 6.836 ( 2.608 -11.770 -5.352) 13.190 7.030 ( 6.182 4.964 -0.582) 7.950 7.208 ( 4.434 -8.664 -6.896) 11.928 7.571 ( -3.331 10.258 -3.341) 11.290 7.638 ( 2.890 1.037 -6.800) 7.461 7.750 ( 6.949 -4.461 -0.240) 8.261 7.827 ( 1.860 -12.602 2.017) 12.897 8.545 ( 0.447 1.527 -5.290) 5.524 8.567 ( 1.818 -0.521 -4.676) 5.043 9.039 ( -12.035 1.361 -6.906) 13.942 9.069 ( -10.356 -1.706 -7.492) 12.895 9.235 ( -10.494 5.366 6.326) 13.377 9.294 ( -15.977 0.296 1.395) 16.041 9.590 ( -4.987 2.036 -1.354) 5.554 9.665 ( 2.829 -6.713 1.747) 7.491 10.061 ( 2.301 7.897 4.456) 9.355 10.166 ( 2.030 -2.635 -1.393) 3.607 10.308 ( -2.397 3.572 -2.963) 5.223 10.378 ( -0.130 -3.065 -5.448) 6.252 10.694 ( 5.855 4.892 3.076) 8.226 10.822 ( 2.292 -8.015 2.487) 8.699 11.396 ( -1.713 16.791 16.435) 23.558 11.726 ( -3.198 -15.897 15.698) 22.570 12.339 ( 0.269 0.571 -5.392) 5.429 12.387 ( -0.419 -3.851 -7.825) 8.732 13.013 ( -0.841 6.498 1.384) 6.697 13.155 ( 0.341 -7.507 2.946) 8.071 13.436 ( 5.322 10.032 -12.502) 16.890 13.640 ( 4.258 -10.564 -9.959) 15.130 14.390 ( -0.116 4.200 -4.506) 6.161 14.470 ( 0.757 -3.135 -2.040) 3.816 14.700 ( -8.704 4.120 -7.733) 12.350 14.790 ( -9.239 -3.800 -5.715) 11.509 15.636 ( 3.282 6.180 3.035) 7.627 15.733 ( 5.730 -3.963 3.087) 7.620 15.835 ( 4.908 6.166 2.834) 8.375 15.991 ( 4.221 -8.886 -0.059) 9.838 16.884 ( -0.122 6.582 1.564) 6.766 16.993 ( 0.372 -4.307 0.362) 4.338 18.292 ( -0.015 3.276 0.207) 3.282 18.345 ( 0.032 -1.709 -0.675) 1.838 18.734 ( -5.099 1.273 0.233) 5.261 18.778 ( -5.439 -3.380 -0.856) 6.460 19.197 ( 4.247 10.136 -2.580) 11.289 19.372 ( 2.919 -7.745 -3.934) 9.164 20.125 ( -0.784 7.183 -0.446) 7.239 20.264 ( 0.144 -6.769 -3.698) 7.714 22.183 ( -0.764 1.236 2.309) 2.728 22.226 ( -1.477 -2.827 1.967) 3.748 22.705 ( 1.555 8.380 -0.708) 8.553 22.799 ( 2.188 3.035 -5.105) 6.329 22.990 ( 2.805 -3.486 -2.465) 5.109 23.047 ( 2.564 -5.332 -3.730) 6.994 25.569 ( 1.182 1.696 1.625) 2.629 25.595 ( 0.999 -0.434 1.683) 2.005 25.790 ( -0.001 0.139 0.720) 0.734 25.807 ( 0.802 -1.426 -0.494) 1.709 26.088 ( 0.757 0.200 1.670) 1.844 26.120 ( -0.133 -3.222 2.440) 4.044 26.590 ( -3.093 -0.177 1.445) 3.418 26.602 ( -2.379 -1.145 2.316) 3.512 26.972 ( -2.418 4.074 2.696) 5.451 27.040 ( -2.518 -2.711 1.342) 3.936 27.413 ( -0.827 6.052 -1.730) 6.348 27.502 ( -1.123 -3.050 -3.312) 4.640 ======================= Grid point 140 (76/96) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( -6.228 0.000 17.956) 19.006 1.965 ( 3.309 0.000 23.442) 23.674 2.274 ( 5.192 0.000 -13.252) 14.233 2.390 ( -1.954 0.000 -17.695) 17.802 2.750 ( 1.199 0.000 13.505) 13.558 2.948 ( 3.766 0.000 1.671) 4.120 2.961 ( -3.739 0.000 0.547) 3.778 2.979 ( 4.447 0.000 -9.571) 10.554 3.320 ( -0.871 0.000 5.982) 6.045 3.417 ( 3.016 0.000 -3.211) 4.405 3.661 ( 2.024 0.000 3.442) 3.993 3.727 ( -2.131 0.000 -2.483) 3.272 3.878 ( -3.041 0.000 7.179) 7.797 3.975 ( 1.914 0.000 -1.827) 2.647 4.466 ( 10.952 0.000 1.512) 11.056 4.481 ( -14.114 0.000 -0.146) 14.114 4.746 ( -9.020 0.000 9.756) 13.287 4.854 ( 9.438 0.000 -0.090) 9.439 4.904 ( 5.215 0.000 3.509) 6.286 4.956 ( 10.657 0.000 -3.630) 11.259 5.008 ( -13.016 0.000 -3.161) 13.395 5.094 ( -7.816 0.000 -10.685) 13.238 5.649 ( 19.733 0.000 13.329) 23.812 5.878 ( -17.720 0.000 -9.780) 20.240 5.949 ( 6.499 0.000 5.323) 8.401 6.044 ( -7.571 0.000 -3.449) 8.320 6.392 ( -2.651 0.000 6.245) 6.785 6.470 ( 5.204 0.000 -1.250) 5.352 6.578 ( 8.092 0.000 7.762) 11.213 6.695 ( -2.736 0.000 2.154) 3.482 6.966 ( -14.004 0.000 7.035) 15.671 7.020 ( 3.049 0.000 2.946) 4.240 7.155 ( -4.008 0.000 -5.879) 7.115 7.193 ( 7.982 0.000 -8.247) 11.478 7.551 ( 3.739 0.000 21.193) 21.520 7.802 ( 8.999 0.000 -3.987) 9.842 8.011 ( 1.157 0.000 10.318) 10.383 8.164 ( -11.372 0.000 4.289) 12.154 8.290 ( 0.693 0.000 -15.289) 15.305 8.409 ( 3.016 0.000 -17.197) 17.459 8.661 ( -2.254 0.000 2.694) 3.513 8.739 ( -3.488 0.000 -3.728) 5.105 8.937 ( 9.378 0.000 -0.362) 9.385 8.964 ( -15.719 0.000 -3.235) 16.048 9.582 ( -3.995 0.000 14.274) 14.822 9.847 ( 4.697 0.000 -11.768) 12.671 10.014 ( 1.860 0.000 3.874) 4.297 10.095 ( -0.073 0.000 -4.849) 4.850 10.191 ( -0.996 0.000 5.868) 5.952 10.326 ( 0.516 0.000 -7.257) 7.275 10.791 ( 3.827 0.000 9.185) 9.950 10.940 ( -2.091 0.000 -5.771) 6.139 11.619 ( 5.691 0.000 22.591) 23.297 12.058 ( -1.017 0.000 -20.026) 20.052 12.383 ( -7.886 0.000 18.269) 19.898 12.693 ( 5.546 0.000 -9.885) 11.334 12.715 ( -1.186 0.000 4.622) 4.772 12.862 ( 3.492 0.000 -12.758) 13.227 13.521 ( 0.051 0.000 7.745) 7.745 13.702 ( -1.425 0.000 -10.398) 10.495 14.207 ( 3.443 0.000 0.910) 3.561 14.261 ( -4.595 0.000 -3.957) 6.064 14.667 ( -4.272 0.000 0.182) 4.276 14.684 ( 1.073 0.000 -1.437) 1.793 15.640 ( 3.603 0.000 8.485) 9.219 15.783 ( -0.499 0.000 -5.109) 5.133 16.025 ( 2.591 0.000 4.206) 4.940 16.125 ( -1.076 0.000 -5.973) 6.069 16.796 ( 0.269 0.000 6.861) 6.866 16.930 ( -0.083 0.000 -6.088) 6.089 18.336 ( -1.257 0.000 5.008) 5.163 18.426 ( 3.775 0.000 -2.855) 4.734 18.585 ( -7.791 0.000 -1.360) 7.909 18.604 ( 4.233 0.000 -2.769) 5.058 19.186 ( 3.960 0.000 7.959) 8.890 19.363 ( -2.321 0.000 -9.026) 9.320 20.062 ( -0.847 0.000 6.789) 6.841 20.225 ( 1.380 0.000 -9.487) 9.587 22.306 ( -1.798 0.000 1.251) 2.191 22.318 ( 1.841 0.000 0.106) 1.844 22.487 ( 0.177 0.000 1.459) 1.470 22.515 ( -0.213 0.000 -1.244) 1.262 23.122 ( -1.650 0.000 -0.133) 1.656 23.139 ( 0.626 0.000 -1.915) 2.015 25.572 ( 0.246 0.000 0.549) 0.602 25.574 ( -0.245 0.000 0.362) 0.437 25.818 ( -1.694 0.000 1.294) 2.132 25.844 ( 1.887 0.000 -1.353) 2.322 26.173 ( 3.114 0.000 0.615) 3.174 26.183 ( -5.498 0.000 -0.325) 5.507 26.667 ( -3.670 0.000 3.630) 5.162 26.734 ( 8.188 0.000 -3.060) 8.742 26.947 ( -1.330 0.000 5.820) 5.970 27.055 ( 1.055 0.000 -4.820) 4.935 27.244 ( -1.300 0.000 7.915) 8.021 27.387 ( 0.143 0.000 -6.339) 6.340 ======================= Grid point 141 (77/96) ======================= q-point: ( 0.14 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 1.858 0.000 15.509) 15.620 2.156 ( 7.457 0.000 20.486) 21.801 2.287 ( -1.407 0.000 -18.840) 18.892 2.357 ( 7.494 0.000 -11.070) 13.368 2.713 ( -6.948 0.000 7.412) 10.159 2.929 ( -5.434 0.000 -15.926) 16.828 2.943 ( 2.483 0.000 -0.763) 2.597 2.995 ( -0.578 0.000 0.547) 0.796 3.319 ( -1.785 0.000 3.346) 3.793 3.450 ( 1.389 0.000 -5.634) 5.803 3.639 ( -3.190 0.000 1.032) 3.352 3.640 ( -8.218 0.000 -0.031) 8.218 3.920 ( 5.571 0.000 8.624) 10.267 3.994 ( -0.003 0.000 -2.971) 2.971 4.261 ( -8.013 0.000 2.663) 8.444 4.609 ( -8.831 0.000 5.742) 10.534 4.726 ( 13.763 0.000 5.551) 14.840 4.757 ( -5.050 0.000 1.507) 5.270 4.872 ( -7.846 0.000 -10.521) 13.124 5.035 ( 8.623 0.000 -1.854) 8.820 5.093 ( 6.465 0.000 6.529) 9.188 5.267 ( 17.601 0.000 2.894) 17.837 5.483 ( -16.429 0.000 -10.953) 19.745 5.812 ( -10.832 0.000 -0.935) 10.872 6.082 ( 4.279 0.000 5.126) 6.677 6.134 ( 20.256 0.000 8.352) 21.911 6.281 ( -9.394 0.000 1.535) 9.518 6.460 ( -5.170 0.000 -3.370) 6.171 6.586 ( -7.087 0.000 -9.715) 12.026 6.678 ( -1.524 0.000 1.947) 2.472 6.735 ( -10.834 0.000 18.739) 21.645 7.058 ( -4.124 0.000 -5.498) 6.872 7.116 ( 5.228 0.000 5.527) 7.608 7.288 ( 1.628 0.000 -3.162) 3.557 7.555 ( -9.861 0.000 3.432) 10.441 7.830 ( -0.285 0.000 -16.893) 16.896 7.940 ( -9.284 0.000 15.466) 18.039 8.091 ( 1.422 0.000 18.361) 18.416 8.143 ( -6.554 0.000 -17.669) 18.845 8.368 ( -2.232 0.000 -10.430) 10.666 8.775 ( 5.916 0.000 0.872) 5.980 8.800 ( 9.686 0.000 7.216) 12.078 8.934 ( 15.766 0.000 4.141) 16.301 9.175 ( 7.718 0.000 5.106) 9.254 9.582 ( 1.797 0.000 11.176) 11.319 9.854 ( 0.118 0.000 -11.221) 11.222 10.027 ( -1.806 0.000 2.741) 3.282 10.087 ( 1.662 0.000 -7.584) 7.764 10.284 ( 7.820 0.000 6.302) 10.043 10.363 ( 5.157 0.000 -7.073) 8.754 10.850 ( -4.401 0.000 -8.379) 9.465 10.856 ( -0.315 0.000 6.966) 6.973 11.786 ( 3.324 0.000 17.983) 18.287 11.954 ( -0.484 0.000 -25.026) 25.030 12.266 ( -10.479 0.000 17.346) 20.265 12.741 ( 1.935 0.000 5.509) 5.839 12.752 ( 4.419 0.000 -9.431) 10.415 12.895 ( 4.239 0.000 -13.132) 13.799 13.542 ( -1.094 0.000 9.446) 9.509 13.625 ( -2.971 0.000 -8.322) 8.836 14.164 ( -3.978 0.000 -2.262) 4.576 14.297 ( 4.975 0.000 2.472) 5.555 14.605 ( -2.337 0.000 4.144) 4.757 14.715 ( 1.809 0.000 0.773) 1.967 15.733 ( 2.660 0.000 4.134) 4.915 15.739 ( -1.150 0.000 -7.662) 7.748 16.045 ( -4.315 0.000 -7.274) 8.457 16.054 ( -0.729 0.000 3.052) 3.138 16.833 ( 0.747 0.000 6.737) 6.778 16.909 ( 0.231 0.000 -6.588) 6.592 18.297 ( -3.696 0.000 2.796) 4.634 18.459 ( 1.055 0.000 -5.199) 5.305 18.509 ( 0.068 0.000 1.804) 1.805 18.751 ( 10.375 0.000 1.301) 10.457 19.264 ( 1.241 0.000 6.358) 6.478 19.267 ( -3.832 0.000 -10.068) 10.773 20.077 ( -0.299 0.000 7.071) 7.077 20.229 ( 2.555 0.000 -9.765) 10.094 22.273 ( -1.825 0.000 0.836) 2.007 22.345 ( 0.652 0.000 0.196) 0.681 22.492 ( -0.072 0.000 1.420) 1.421 22.504 ( -0.167 0.000 -1.423) 1.433 23.072 ( -3.367 0.000 1.180) 3.568 23.122 ( -1.963 0.000 -0.515) 2.029 25.569 ( -0.407 0.000 0.239) 0.472 25.579 ( 0.222 0.000 0.393) 0.452 25.789 ( -1.443 0.000 0.961) 1.733 25.865 ( 0.438 0.000 -1.120) 1.203 26.090 ( -3.719 0.000 1.522) 4.019 26.213 ( 0.027 0.000 2.183) 2.183 26.634 ( -0.027 0.000 0.462) 0.463 26.868 ( 6.554 0.000 -7.902) 10.266 26.970 ( 1.393 0.000 6.133) 6.289 27.093 ( 4.642 0.000 -5.262) 7.017 27.251 ( -1.128 0.000 8.649) 8.722 27.377 ( 1.266 0.000 -5.444) 5.590 ======================= Grid point 142 (78/96) ======================= q-point: ( 0.29 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( 4.786 0.000 10.510) 11.548 2.232 ( 2.854 0.000 -13.929) 14.218 2.340 ( 2.399 0.000 6.992) 7.392 2.469 ( 7.150 0.000 -7.566) 10.410 2.588 ( -5.615 0.000 5.401) 7.791 2.735 ( -5.438 0.000 -10.361) 11.702 2.895 ( -8.074 0.000 -0.812) 8.115 3.061 ( 9.063 0.000 -4.416) 10.081 3.243 ( -7.943 0.000 1.573) 8.097 3.396 ( -4.445 0.000 -5.832) 7.333 3.414 ( -10.385 0.000 -3.849) 11.076 3.646 ( -0.479 0.000 5.049) 5.072 3.960 ( -1.288 0.000 0.315) 1.326 4.055 ( 3.937 0.000 5.319) 6.617 4.197 ( -0.452 0.000 4.382) 4.405 4.461 ( -6.348 0.000 2.079) 6.680 4.694 ( -5.896 0.000 -12.833) 14.123 4.764 ( 1.358 0.000 0.900) 1.629 5.011 ( 10.113 0.000 10.563) 14.624 5.114 ( -3.585 0.000 -1.650) 3.947 5.183 ( 1.416 0.000 2.929) 3.254 5.290 ( 4.744 0.000 -4.954) 6.859 5.618 ( 15.212 0.000 4.121) 15.760 5.645 ( -2.236 0.000 3.320) 4.002 6.035 ( -14.799 0.000 -3.859) 15.294 6.095 ( -7.371 0.000 3.133) 8.009 6.345 ( -0.152 0.000 -2.345) 2.350 6.439 ( 0.675 0.000 -0.408) 0.789 6.531 ( 8.995 0.000 4.731) 10.163 6.556 ( -10.734 0.000 1.050) 10.785 6.688 ( 0.710 0.000 16.219) 16.235 6.962 ( -3.936 0.000 -1.368) 4.167 7.170 ( -4.448 0.000 -2.021) 4.886 7.237 ( -1.385 0.000 -0.514) 1.477 7.276 ( -15.495 0.000 -3.918) 15.982 7.714 ( -3.029 0.000 -26.005) 26.181 7.842 ( -8.147 0.000 19.466) 21.103 8.063 ( 3.410 0.000 -14.738) 15.127 8.263 ( 7.639 0.000 20.687) 22.053 8.314 ( 0.644 0.000 -2.055) 2.153 8.890 ( 1.747 0.000 7.492) 7.693 9.064 ( 13.774 0.000 7.336) 15.606 9.256 ( 3.171 0.000 9.187) 9.719 9.355 ( 19.646 0.000 7.583) 21.058 9.724 ( 6.510 0.000 4.673) 8.014 9.794 ( -0.322 0.000 -12.965) 12.969 9.976 ( -4.230 0.000 4.348) 6.066 10.089 ( 1.308 0.000 -10.076) 10.161 10.440 ( 3.781 0.000 -6.097) 7.175 10.469 ( 6.611 0.000 3.612) 7.533 10.729 ( -2.681 0.000 -11.541) 11.848 10.828 ( -4.686 0.000 6.063) 7.663 11.844 ( -4.993 0.000 13.802) 14.678 11.891 ( 4.505 0.000 -27.383) 27.751 12.146 ( -5.721 0.000 17.595) 18.501 12.784 ( 1.990 0.000 -14.745) 14.879 12.824 ( 3.998 0.000 6.533) 7.659 12.940 ( 4.995 0.000 -6.923) 8.537 13.531 ( -3.509 0.000 -6.590) 7.466 13.534 ( -3.659 0.000 8.870) 9.595 14.106 ( -1.069 0.000 1.185) 1.596 14.398 ( 3.655 0.000 1.218) 3.852 14.615 ( 1.179 0.000 7.173) 7.269 14.749 ( 1.648 0.000 0.189) 1.658 15.698 ( -0.729 0.000 -5.068) 5.120 15.750 ( -1.421 0.000 -1.078) 1.784 15.932 ( -3.293 0.000 -8.299) 8.929 16.031 ( -2.536 0.000 1.981) 3.218 16.861 ( -0.592 0.000 6.177) 6.206 16.896 ( 1.003 0.000 -5.870) 5.955 18.235 ( -3.129 0.000 2.233) 3.844 18.434 ( -1.078 0.000 -7.194) 7.274 18.581 ( 5.367 0.000 3.766) 6.556 18.974 ( 9.894 0.000 2.772) 10.275 19.155 ( -2.810 0.000 -10.595) 10.961 19.282 ( -1.362 0.000 5.785) 5.943 20.095 ( -0.735 0.000 7.398) 7.434 20.247 ( 2.602 0.000 -9.734) 10.076 22.247 ( -0.884 0.000 0.406) 0.973 22.337 ( -1.750 0.000 0.731) 1.896 22.500 ( 0.334 0.000 1.581) 1.616 22.512 ( 1.935 0.000 -2.273) 2.985 23.011 ( -3.074 0.000 1.791) 3.557 23.064 ( -3.663 0.000 0.396) 3.684 25.562 ( -0.287 0.000 0.354) 0.456 25.582 ( -0.024 0.000 0.144) 0.146 25.773 ( -0.504 0.000 0.947) 1.072 25.851 ( -1.282 0.000 -0.702) 1.461 26.053 ( -0.873 0.000 1.912) 2.102 26.190 ( -2.683 0.000 1.468) 3.058 26.666 ( 2.608 0.000 0.751) 2.714 26.923 ( 2.498 0.000 -9.363) 9.691 27.032 ( 2.042 0.000 6.459) 6.774 27.171 ( 4.669 0.000 -6.855) 8.294 27.263 ( -0.863 0.000 9.388) 9.427 27.404 ( 3.509 0.000 -5.691) 6.686 ======================= Grid point 143 (79/96) ======================= q-point: (-0.57 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( -8.777 0.000 4.323) 9.784 2.241 ( -6.386 0.000 -10.662) 12.428 2.328 ( 10.285 0.000 -6.086) 11.950 2.491 ( -10.136 0.000 -0.073) 10.136 2.669 ( 10.416 0.000 8.549) 13.475 2.678 ( 4.415 0.000 2.441) 5.045 2.877 ( 5.416 0.000 0.656) 5.456 2.949 ( -13.954 0.000 -2.942) 14.261 3.222 ( -4.743 0.000 -0.130) 4.745 3.263 ( -5.682 0.000 -6.027) 8.283 3.352 ( 11.204 0.000 -4.785) 12.183 3.527 ( -11.691 0.000 0.688) 11.712 4.009 ( 2.849 0.000 8.148) 8.632 4.104 ( 0.375 0.000 2.311) 2.341 4.236 ( 2.523 0.000 3.838) 4.593 4.371 ( -4.338 0.000 0.116) 4.340 4.598 ( 1.659 0.000 -9.925) 10.063 4.706 ( -6.754 0.000 -4.858) 8.320 5.058 ( 0.262 0.000 1.440) 1.464 5.081 ( -2.803 0.000 4.958) 5.696 5.297 ( 8.083 0.000 8.974) 12.078 5.458 ( 10.304 0.000 -2.422) 10.585 5.709 ( -16.240 0.000 -1.871) 16.347 5.714 ( -7.757 0.000 -6.672) 10.232 5.833 ( 17.156 0.000 5.737) 18.090 6.048 ( 6.828 0.000 11.402) 13.290 6.251 ( -16.505 0.000 0.584) 16.515 6.438 ( -1.535 0.000 -4.411) 4.670 6.478 ( 8.375 0.000 0.493) 8.390 6.623 ( 0.240 0.000 14.755) 14.757 6.797 ( -1.607 0.000 -3.807) 4.133 6.906 ( -2.547 0.000 6.629) 7.102 7.019 ( -8.448 0.000 -3.988) 9.342 7.072 ( 0.303 0.000 8.257) 8.262 7.193 ( -2.883 0.000 -6.315) 6.942 7.555 ( -3.612 0.000 -24.516) 24.780 7.761 ( -6.951 0.000 18.489) 19.752 8.078 ( 4.009 0.000 -17.388) 17.845 8.392 ( 5.617 0.000 3.496) 6.616 8.459 ( 3.995 0.000 8.471) 9.366 8.922 ( 0.540 0.000 21.371) 21.378 9.350 ( 12.503 0.000 4.442) 13.268 9.442 ( 10.291 0.000 8.134) 13.118 9.517 ( -3.964 0.000 -4.189) 5.767 9.752 ( -4.620 0.000 -3.990) 6.104 9.848 ( 4.939 0.000 -10.291) 11.415 9.969 ( 2.151 0.000 10.449) 10.668 10.087 ( 4.488 0.000 -5.370) 6.999 10.417 ( -1.191 0.000 -8.302) 8.387 10.472 ( -7.502 0.000 -1.419) 7.635 10.738 ( -6.774 0.000 6.598) 9.456 10.746 ( 7.633 0.000 -9.217) 11.967 11.686 ( -14.444 0.000 16.142) 21.661 11.940 ( 9.906 0.000 -25.563) 27.415 12.208 ( 3.854 0.000 16.801) 17.237 12.697 ( -4.440 0.000 -16.596) 17.180 12.921 ( 2.619 0.000 6.906) 7.386 13.038 ( 5.551 0.000 -4.760) 7.313 13.455 ( -6.415 0.000 5.158) 8.231 13.468 ( 0.254 0.000 -4.827) 4.834 14.154 ( 4.624 0.000 5.610) 7.270 14.405 ( -2.544 0.000 -4.356) 5.045 14.686 ( 2.708 0.000 7.153) 7.648 14.793 ( 2.847 0.000 -1.681) 3.307 15.655 ( -2.338 0.000 -1.156) 2.608 15.695 ( -2.554 0.000 -3.055) 3.982 15.906 ( 3.602 0.000 -5.894) 6.908 15.958 ( -5.599 0.000 0.717) 5.645 16.852 ( -2.360 0.000 5.376) 5.871 16.913 ( 2.749 0.000 -4.945) 5.658 18.205 ( -0.851 0.000 3.604) 3.703 18.373 ( -2.160 0.000 -7.974) 8.261 18.705 ( 4.981 0.000 5.383) 7.334 18.992 ( -4.411 0.000 -7.988) 9.125 19.219 ( 8.363 0.000 -1.145) 8.441 19.263 ( -2.605 0.000 4.905) 5.554 20.098 ( -1.622 0.000 7.452) 7.627 20.255 ( 1.812 0.000 -8.998) 9.179 22.250 ( 1.136 0.000 0.399) 1.204 22.291 ( -2.831 0.000 0.725) 2.923 22.510 ( -0.276 0.000 2.146) 2.164 22.551 ( 2.347 0.000 -3.109) 3.896 22.979 ( -0.344 0.000 0.975) 1.034 23.001 ( -2.293 0.000 0.460) 2.339 25.562 ( 0.053 0.000 0.663) 0.665 25.578 ( -0.446 0.000 0.018) 0.446 25.776 ( 0.460 0.000 1.150) 1.239 25.822 ( -1.212 0.000 -0.841) 1.476 26.063 ( 1.011 0.000 2.441) 2.642 26.138 ( -2.541 0.000 -0.151) 2.546 26.722 ( 2.051 0.000 3.117) 3.731 26.907 ( -0.494 0.000 -9.501) 9.514 27.076 ( -0.321 0.000 6.855) 6.863 27.211 ( 1.878 0.000 -6.447) 6.715 27.284 ( -0.700 0.000 9.543) 9.569 27.455 ( 3.447 0.000 -7.735) 8.468 ======================= Grid point 144 (80/96) ======================= q-point: (-0.43 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( -4.520 0.000 13.281) 14.029 2.095 ( -9.503 0.000 5.350) 10.906 2.305 ( -2.318 0.000 -6.031) 6.461 2.496 ( 1.383 0.000 1.085) 1.758 2.753 ( 0.938 0.000 -3.601) 3.721 2.759 ( -2.702 0.000 1.939) 3.326 2.896 ( 5.189 0.000 1.073) 5.299 2.946 ( 5.247 0.000 -4.509) 6.918 3.106 ( -3.050 0.000 6.296) 6.996 3.229 ( 3.409 0.000 0.866) 3.517 3.292 ( -9.738 0.000 -0.815) 9.772 3.592 ( 12.612 0.000 -4.754) 13.478 4.072 ( 1.025 0.000 5.312) 5.411 4.121 ( 1.403 0.000 0.377) 1.453 4.248 ( -8.798 0.000 -0.383) 8.806 4.316 ( 3.872 0.000 5.420) 6.661 4.534 ( -6.972 0.000 -3.168) 7.658 4.673 ( 6.682 0.000 -2.384) 7.095 5.050 ( -0.981 0.000 3.035) 3.190 5.138 ( 6.431 0.000 -0.792) 6.480 5.410 ( -13.889 0.000 2.498) 14.112 5.444 ( -8.512 0.000 -4.665) 9.706 5.531 ( 10.852 0.000 10.277) 14.946 5.726 ( 11.926 0.000 -3.269) 12.366 5.889 ( -18.202 0.000 -1.743) 18.285 6.184 ( 9.180 0.000 1.584) 9.316 6.254 ( 7.236 0.000 11.441) 13.537 6.353 ( 0.654 0.000 -10.013) 10.035 6.503 ( -8.946 0.000 -1.216) 9.029 6.687 ( 8.954 0.000 3.669) 9.677 6.812 ( -8.327 0.000 -6.051) 10.293 6.868 ( 5.013 0.000 21.325) 21.907 6.922 ( 1.288 0.000 11.321) 11.394 7.103 ( -3.350 0.000 -8.567) 9.199 7.208 ( 5.791 0.000 6.958) 9.052 7.404 ( -2.685 0.000 -21.576) 21.743 7.720 ( -3.361 0.000 16.822) 17.154 8.113 ( 5.788 0.000 -15.848) 16.872 8.442 ( -4.789 0.000 -1.133) 4.922 8.501 ( 3.665 0.000 1.503) 3.961 9.128 ( 9.015 0.000 25.577) 27.119 9.339 ( -7.957 0.000 -14.304) 16.368 9.507 ( -7.879 0.000 -5.091) 9.381 9.571 ( 6.324 0.000 -1.658) 6.538 9.705 ( 1.872 0.000 5.282) 5.604 9.744 ( -5.814 0.000 -8.005) 9.893 10.040 ( -3.171 0.000 2.348) 3.946 10.156 ( 1.082 0.000 -7.560) 7.637 10.267 ( -6.064 0.000 5.301) 8.054 10.464 ( 6.773 0.000 -2.018) 7.068 10.597 ( -9.554 0.000 5.313) 10.932 10.876 ( 7.138 0.000 -7.081) 10.055 11.468 ( -13.428 0.000 20.592) 24.583 12.056 ( 9.217 0.000 -20.325) 22.317 12.351 ( 3.223 0.000 17.889) 18.177 12.544 ( -3.157 0.000 -16.713) 17.009 12.941 ( -3.372 0.000 5.074) 6.092 13.054 ( -2.008 0.000 -6.371) 6.680 13.376 ( -2.108 0.000 4.377) 4.858 13.539 ( 7.941 0.000 -3.510) 8.682 14.298 ( 6.892 0.000 5.850) 9.040 14.299 ( -4.847 0.000 -8.387) 9.686 14.744 ( 0.768 0.000 3.455) 3.539 14.813 ( -0.128 0.000 -5.365) 5.367 15.639 ( 1.205 0.000 2.106) 2.426 15.662 ( 0.220 0.000 -1.528) 1.544 15.829 ( -7.136 0.000 1.853) 7.373 15.992 ( 5.749 0.000 -2.870) 6.425 16.817 ( -2.780 0.000 4.702) 5.462 16.956 ( 2.991 0.000 -5.031) 5.853 18.225 ( 0.869 0.000 5.775) 5.839 18.306 ( -1.605 0.000 -6.323) 6.524 18.812 ( 3.721 0.000 8.596) 9.366 18.860 ( -5.695 0.000 -8.595) 10.310 19.199 ( -5.821 0.000 1.592) 6.035 19.346 ( 5.269 0.000 -3.202) 6.166 20.090 ( -1.975 0.000 7.547) 7.801 20.257 ( 1.677 0.000 -8.235) 8.404 22.247 ( -1.604 0.000 0.760) 1.775 22.290 ( 2.465 0.000 0.692) 2.560 22.496 ( -1.933 0.000 2.414) 3.092 22.561 ( -0.189 0.000 -3.077) 3.083 22.997 ( 2.009 0.000 -0.839) 2.177 23.010 ( 3.181 0.000 -0.377) 3.203 25.567 ( 0.155 0.000 0.969) 0.982 25.568 ( -0.519 0.000 0.149) 0.540 25.798 ( 1.223 0.000 1.323) 1.802 25.802 ( -0.412 0.000 -1.269) 1.334 26.097 ( -1.376 0.000 -0.928) 1.660 26.112 ( 3.156 0.000 2.584) 4.079 26.761 ( 0.283 0.000 5.087) 5.095 26.835 ( -3.578 0.000 -8.447) 9.174 27.070 ( -2.731 0.000 7.438) 7.924 27.201 ( -0.609 0.000 -5.541) 5.574 27.292 ( -2.042 0.000 8.675) 8.912 27.468 ( 1.006 0.000 -8.951) 9.007 ======================= Grid point 145 (81/96) ======================= q-point: (-0.29 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( -9.178 0.000 15.042) 17.620 2.038 ( 2.998 0.000 23.758) 23.947 2.308 ( 0.802 0.000 -8.239) 8.278 2.383 ( -7.097 0.000 6.450) 9.590 2.694 ( 2.208 0.000 -4.006) 4.574 2.785 ( -9.004 0.000 -5.900) 10.765 2.923 ( 10.720 0.000 -5.078) 11.862 2.984 ( -3.585 0.000 1.705) 3.970 3.224 ( 5.640 0.000 10.640) 12.043 3.263 ( 6.677 0.000 -0.441) 6.691 3.352 ( 9.017 0.000 2.072) 9.252 3.753 ( 3.803 0.000 -5.288) 6.514 3.993 ( -10.059 0.000 -2.918) 10.473 4.078 ( -2.179 0.000 2.519) 3.331 4.227 ( 3.889 0.000 3.342) 5.128 4.436 ( 6.742 0.000 4.323) 8.009 4.487 ( 3.324 0.000 5.152) 6.131 4.784 ( 4.040 0.000 -1.356) 4.261 5.049 ( -2.672 0.000 5.918) 6.493 5.203 ( -0.103 0.000 -5.620) 5.620 5.209 ( -5.712 0.000 3.007) 6.455 5.263 ( -10.510 0.000 -7.478) 12.899 5.648 ( -6.724 0.000 2.333) 7.117 5.665 ( 0.149 0.000 1.101) 1.111 5.972 ( 12.688 0.000 1.515) 12.779 6.151 ( 3.421 0.000 -2.475) 4.222 6.328 ( -5.696 0.000 -1.154) 5.811 6.378 ( 1.628 0.000 5.886) 6.107 6.542 ( -11.254 0.000 0.672) 11.274 6.571 ( 8.872 0.000 2.438) 9.201 6.940 ( 7.282 0.000 -8.411) 11.125 7.015 ( 0.099 0.000 -3.837) 3.838 7.040 ( 5.727 0.000 18.529) 19.394 7.050 ( 4.763 0.000 18.082) 18.699 7.303 ( 2.118 0.000 4.678) 5.135 7.351 ( 5.615 0.000 -12.421) 13.631 7.759 ( 1.768 0.000 12.376) 12.501 8.182 ( 6.673 0.000 -14.181) 15.672 8.335 ( -4.657 0.000 -1.732) 4.968 8.521 ( -1.033 0.000 -5.111) 5.215 9.109 ( -10.894 0.000 -11.701) 15.987 9.204 ( -10.483 0.000 -5.410) 11.796 9.444 ( 3.723 0.000 19.608) 19.958 9.492 ( -5.094 0.000 -14.624) 15.486 9.512 ( -21.159 0.000 -7.000) 22.287 9.759 ( 2.942 0.000 0.215) 2.949 9.939 ( -1.291 0.000 5.367) 5.520 10.125 ( 0.204 0.000 -9.537) 9.539 10.339 ( -0.914 0.000 4.904) 4.988 10.484 ( 0.788 0.000 11.697) 11.724 10.521 ( -1.978 0.000 -1.973) 2.794 10.950 ( 3.263 0.000 -6.037) 6.862 11.356 ( -5.573 0.000 24.656) 25.278 12.118 ( 3.641 0.000 -13.558) 14.038 12.437 ( -1.352 0.000 18.788) 18.836 12.512 ( 6.291 0.000 -18.643) 19.676 12.849 ( -6.295 0.000 3.290) 7.103 12.957 ( -4.346 0.000 -6.710) 7.995 13.406 ( 2.350 0.000 5.909) 6.359 13.687 ( 7.313 0.000 -5.922) 9.410 14.190 ( -2.698 0.000 -7.488) 7.959 14.406 ( 1.592 0.000 0.772) 1.770 14.751 ( 0.020 0.000 0.073) 0.075 14.758 ( -2.486 0.000 -6.900) 7.334 15.622 ( -5.111 0.000 2.216) 5.570 15.707 ( 3.853 0.000 3.111) 4.952 15.797 ( 3.755 0.000 5.072) 6.311 16.083 ( 4.307 0.000 -3.170) 5.348 16.787 ( -1.961 0.000 4.939) 5.314 16.978 ( 0.979 0.000 -5.508) 5.594 18.270 ( 1.192 0.000 7.057) 7.157 18.287 ( 1.718 0.000 -2.929) 3.396 18.716 ( -5.572 0.000 -8.019) 9.765 18.926 ( 4.462 0.000 10.892) 11.770 19.036 ( -10.525 0.000 -2.185) 10.749 19.408 ( 2.897 0.000 -5.941) 6.610 20.076 ( -2.167 0.000 7.451) 7.759 20.257 ( 1.176 0.000 -8.497) 8.578 22.242 ( 0.776 0.000 1.036) 1.294 22.332 ( 0.992 0.000 1.081) 1.467 22.470 ( -1.026 0.000 1.918) 2.175 22.537 ( -0.803 0.000 -2.374) 2.507 23.055 ( 3.864 0.000 -2.463) 4.582 23.080 ( 3.681 0.000 -1.104) 3.843 25.562 ( -0.104 0.000 0.399) 0.412 25.573 ( 0.039 0.000 0.989) 0.989 25.797 ( 0.509 0.000 -1.456) 1.543 25.827 ( 0.955 0.000 1.499) 1.777 26.083 ( 0.440 0.000 -1.015) 1.106 26.201 ( 4.886 0.000 0.770) 4.946 26.714 ( -5.730 0.000 -4.722) 7.425 26.766 ( -1.947 0.000 6.206) 6.505 27.029 ( -4.047 0.000 7.348) 8.389 27.149 ( -2.538 0.000 -5.104) 5.700 27.271 ( -2.859 0.000 7.633) 8.151 27.441 ( -0.066 0.000 -8.456) 8.456 ======================= Grid point 146 (82/96) ======================= q-point: (-0.14 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( -2.918 0.000 21.329) 21.528 2.057 ( -8.986 0.000 19.436) 21.413 2.263 ( 0.621 0.000 -12.778) 12.793 2.433 ( 5.367 0.000 1.226) 5.505 2.637 ( -1.889 0.000 5.630) 5.939 2.821 ( 8.851 0.000 -1.328) 8.950 2.937 ( 0.271 0.000 -2.575) 2.589 3.024 ( 0.450 0.000 -3.073) 3.106 3.315 ( 0.168 0.000 7.319) 7.321 3.359 ( 3.719 0.000 -0.800) 3.805 3.609 ( 12.785 0.000 2.841) 13.096 3.676 ( -4.755 0.000 -2.459) 5.353 3.909 ( -1.960 0.000 4.506) 4.913 4.011 ( -4.267 0.000 -0.537) 4.301 4.306 ( 5.399 0.000 -1.410) 5.581 4.597 ( 6.675 0.000 4.036) 7.800 4.681 ( 10.477 0.000 8.739) 13.643 4.807 ( -1.068 0.000 -3.796) 3.944 4.917 ( -11.193 0.000 -10.638) 15.442 4.932 ( -9.658 0.000 7.930) 12.496 5.234 ( -1.153 0.000 -5.831) 5.944 5.278 ( 6.415 0.000 7.508) 9.875 5.370 ( -13.447 0.000 -4.339) 14.129 5.777 ( 7.828 0.000 1.401) 7.953 6.162 ( -0.792 0.000 1.307) 1.528 6.181 ( -4.717 0.000 -4.473) 6.501 6.333 ( 5.158 0.000 9.156) 10.509 6.364 ( -2.341 0.000 -2.393) 3.348 6.421 ( 3.769 0.000 6.301) 7.342 6.685 ( 1.977 0.000 5.539) 5.881 6.956 ( 3.014 0.000 -3.974) 4.987 7.091 ( 5.762 0.000 -9.367) 10.997 7.118 ( -3.588 0.000 8.270) 9.015 7.209 ( 1.950 0.000 7.700) 7.943 7.377 ( 3.728 0.000 16.965) 17.369 7.550 ( 14.605 0.000 -0.262) 14.607 7.879 ( 6.929 0.000 7.667) 10.334 8.260 ( 6.039 0.000 -13.281) 14.590 8.270 ( -2.216 0.000 1.055) 2.454 8.451 ( -1.646 0.000 -13.051) 13.155 8.842 ( -12.104 0.000 -6.870) 13.918 8.953 ( -10.550 0.000 -7.920) 13.192 9.025 ( -20.371 0.000 -4.386) 20.838 9.302 ( -12.584 0.000 -7.798) 14.804 9.572 ( 0.216 0.000 16.126) 16.127 9.793 ( 3.696 0.000 -9.540) 10.231 9.962 ( 1.037 0.000 5.575) 5.670 10.110 ( 0.683 0.000 -5.869) 5.909 10.247 ( -5.751 0.000 4.140) 7.087 10.406 ( -5.796 0.000 -5.740) 8.157 10.647 ( 6.778 0.000 11.829) 13.633 10.971 ( 0.788 0.000 -4.730) 4.795 11.433 ( 3.312 0.000 25.436) 25.651 12.118 ( 1.414 0.000 -14.705) 14.773 12.441 ( -4.963 0.000 18.749) 19.395 12.603 ( 8.102 0.000 -15.211) 17.234 12.754 ( -4.331 0.000 3.791) 5.756 12.872 ( -0.915 0.000 -8.578) 8.626 13.476 ( 1.946 0.000 6.717) 6.993 13.745 ( 1.602 0.000 -10.200) 10.325 14.160 ( 1.380 0.000 -2.492) 2.848 14.365 ( -4.100 0.000 -3.784) 5.579 14.695 ( -1.194 0.000 -4.828) 4.974 14.738 ( -1.910 0.000 -1.461) 2.404 15.573 ( -0.788 0.000 8.117) 8.155 15.778 ( 2.220 0.000 -0.054) 2.221 15.923 ( 5.755 0.000 5.159) 7.728 16.132 ( 2.117 0.000 -4.755) 5.205 16.779 ( -0.899 0.000 6.072) 6.138 16.958 ( -0.526 0.000 -5.585) 5.610 18.315 ( 0.715 0.000 6.715) 6.753 18.346 ( 4.627 0.000 -1.728) 4.939 18.608 ( -2.323 0.000 -6.298) 6.713 18.796 ( -12.063 0.000 -2.796) 12.383 19.062 ( 5.154 0.000 9.825) 11.095 19.415 ( 0.275 0.000 -7.760) 7.765 20.063 ( -1.761 0.000 7.023) 7.240 20.241 ( 0.635 0.000 -9.129) 9.151 22.276 ( 2.127 0.000 0.690) 2.236 22.331 ( -1.208 0.000 1.417) 1.862 22.474 ( 0.495 0.000 1.431) 1.515 22.521 ( -0.100 0.000 -1.645) 1.648 23.113 ( 2.856 0.000 -2.872) 4.050 23.128 ( 1.332 0.000 -1.032) 1.685 25.566 ( 0.216 0.000 0.557) 0.598 25.576 ( -0.099 0.000 0.691) 0.698 25.813 ( 1.587 0.000 -1.425) 2.133 25.837 ( -0.618 0.000 1.570) 1.687 26.111 ( 2.733 0.000 -0.634) 2.806 26.261 ( -0.164 0.000 -2.524) 2.529 26.635 ( 0.508 0.000 0.220) 0.554 26.729 ( -3.989 0.000 6.046) 7.243 26.976 ( -3.612 0.000 6.364) 7.317 27.083 ( -1.864 0.000 -4.978) 5.316 27.248 ( -2.086 0.000 7.406) 7.694 27.412 ( -0.040 0.000 -7.359) 7.359 ======================= Grid point 147 (83/96) ======================= q-point: ( 0.00 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 6.233 -0.172 17.366) 18.451 2.164 ( -5.424 -1.398 -7.339) 9.233 2.247 ( -3.641 13.721 13.313) 19.462 2.533 ( 2.764 4.370 -3.457) 6.220 2.621 ( 1.387 -7.195 -0.838) 7.375 2.688 ( 0.345 -13.931 -3.762) 14.434 3.000 ( 2.474 2.740 8.425) 9.199 3.168 ( 3.575 6.923 -6.624) 10.226 3.263 ( -4.509 -5.828 3.537) 8.174 3.319 ( 3.805 -5.656 -1.503) 6.980 3.637 ( 4.742 -1.190 6.351) 8.015 3.712 ( -5.649 0.464 -1.491) 5.861 3.864 ( 5.618 -4.381 5.111) 8.768 3.970 ( -4.660 -3.702 -4.314) 7.351 4.283 ( -5.937 -11.173 3.437) 13.111 4.326 ( 6.185 -7.899 -1.183) 10.101 4.815 ( 0.237 7.681 6.858) 10.300 4.935 ( 0.460 5.881 -4.456) 7.393 5.097 ( -6.433 15.482 0.810) 16.785 5.109 ( 1.383 11.927 -2.515) 12.268 5.240 ( 5.672 19.066 3.900) 20.270 5.344 ( -8.221 19.590 -6.303) 22.160 5.658 ( 19.787 0.443 11.038) 22.662 5.844 ( -16.920 -4.569 -6.814) 18.804 5.904 ( 5.824 -3.147 3.977) 7.722 5.990 ( -7.221 -4.011 -3.374) 8.922 6.260 ( -0.718 -12.457 2.937) 12.819 6.292 ( 0.637 -11.585 1.532) 11.703 6.543 ( 6.943 -3.263 7.332) 10.612 6.744 ( -3.570 -2.514 -10.580) 11.446 6.939 ( -0.613 -0.505 9.967) 9.999 7.027 ( -2.683 1.789 4.665) 5.671 7.126 ( -2.192 -2.313 -0.073) 3.187 7.270 ( 2.755 5.988 -6.701) 9.400 7.529 ( 1.066 -2.927 19.510) 19.757 7.735 ( 7.469 -5.857 -1.027) 9.547 8.020 ( 2.834 0.088 7.406) 7.930 8.133 ( -6.167 -2.842 5.322) 8.628 8.263 ( -1.612 -1.918 -13.725) 13.951 8.382 ( 2.213 -2.876 -15.851) 16.261 8.678 ( -7.220 2.710 1.254) 7.813 8.755 ( -0.216 2.040 -5.304) 5.686 8.935 ( -0.718 -0.585 -0.081) 0.930 8.973 ( -3.975 -0.079 -3.764) 5.475 9.621 ( -3.349 3.771 12.256) 13.253 9.826 ( 2.714 -1.909 -7.252) 7.975 10.043 ( -0.859 3.235 2.559) 4.213 10.111 ( 3.501 2.221 -4.501) 6.119 10.225 ( -2.601 2.257 4.854) 5.951 10.337 ( 2.541 0.208 -5.807) 6.342 10.818 ( 3.011 2.282 6.224) 7.281 10.925 ( -1.329 -1.478 -4.182) 4.630 11.674 ( 3.785 5.519 21.763) 22.769 12.089 ( 0.044 2.997 -18.651) 18.891 12.254 ( -5.852 -10.173 13.920) 18.207 12.451 ( 4.377 -12.369 -5.102) 14.078 12.888 ( -1.304 8.782 2.545) 9.236 13.021 ( 3.398 10.367 -11.157) 15.605 13.436 ( 0.061 -7.605 7.470) 10.660 13.614 ( -1.281 -8.164 -10.236) 13.156 14.248 ( 3.761 3.962 0.218) 5.467 14.289 ( -5.302 2.945 -3.540) 7.022 14.622 ( -4.254 -5.110 -0.657) 6.681 14.626 ( 1.340 -4.772 -0.953) 5.047 15.697 ( 3.087 5.243 6.788) 9.115 15.812 ( -0.272 2.813 -4.156) 5.026 15.995 ( 3.019 -2.817 3.785) 5.602 16.080 ( -1.182 -4.043 -4.915) 6.473 16.858 ( 0.503 5.468 6.158) 8.250 16.973 ( -0.154 3.358 -4.815) 5.872 18.288 ( -1.451 -3.665 2.610) 4.728 18.351 ( 1.960 -5.486 -3.301) 6.696 18.622 ( -3.827 3.977 2.417) 6.025 18.688 ( 1.514 4.872 -3.456) 6.163 19.205 ( 3.766 1.856 5.752) 7.122 19.343 ( -1.948 -1.814 -7.395) 7.860 20.079 ( -0.653 1.620 5.317) 5.596 20.213 ( 1.259 -1.284 -8.003) 8.203 22.265 ( 0.827 -2.692 1.824) 3.356 22.283 ( -0.913 -2.402 0.139) 2.574 22.572 ( -0.101 6.295 0.340) 6.305 22.588 ( 0.103 6.799 -1.453) 6.953 23.082 ( -1.722 -3.904 -0.747) 4.331 23.088 ( 0.738 -4.836 -1.308) 5.063 25.587 ( 0.566 1.431 0.795) 1.732 25.593 ( -0.603 1.703 0.181) 1.816 25.813 ( -1.367 -0.478 1.204) 1.883 25.837 ( 1.645 -0.763 -1.200) 2.174 26.152 ( 0.989 -1.848 0.481) 2.150 26.156 ( -2.861 -2.211 0.174) 3.621 26.649 ( -2.513 -1.493 2.950) 4.153 26.698 ( 5.830 -3.031 -1.694) 6.786 26.969 ( -0.371 1.843 4.283) 4.678 27.041 ( 0.248 -0.790 -2.396) 2.535 27.306 ( -0.711 4.920 4.465) 6.682 27.405 ( 0.000 1.453 -4.940) 5.149 ======================= Grid point 148 (84/96) ======================= q-point: ( 0.14 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 3.725 2.715 10.876) 11.812 2.028 ( -3.517 -8.750 -9.401) 13.316 2.329 ( 5.870 11.577 15.699) 20.371 2.525 ( -5.410 -9.699 -0.816) 11.136 2.614 ( 0.999 3.623 -7.494) 8.383 2.697 ( 4.494 -8.354 -2.098) 9.715 2.996 ( -6.291 2.957 2.064) 7.252 3.102 ( -4.737 4.669 -12.119) 13.824 3.273 ( 2.519 -1.008 1.454) 3.078 3.439 ( 7.907 -5.990 0.858) 9.957 3.593 ( -5.279 3.441 -2.335) 6.720 3.749 ( 0.200 1.943 2.579) 3.235 3.854 ( -1.932 -8.425 -2.873) 9.108 3.978 ( 3.306 -2.828 5.372) 6.913 4.207 ( -2.154 -3.913 2.274) 5.012 4.447 ( 5.999 -14.409 -1.239) 15.657 4.630 ( -12.478 10.068 1.682) 16.121 4.866 ( -5.273 9.828 0.279) 11.157 5.078 ( -2.135 11.386 2.433) 11.838 5.200 ( 3.068 10.023 -0.884) 10.519 5.339 ( 11.589 7.465 2.490) 14.009 5.392 ( 2.101 19.131 3.534) 19.568 5.489 ( -9.439 3.637 -8.201) 13.022 5.792 ( -10.561 -2.003 -2.239) 10.980 6.038 ( 4.317 -3.674 5.596) 7.965 6.098 ( 16.334 -5.142 3.193) 17.420 6.190 ( -2.487 -6.772 4.865) 8.701 6.281 ( -3.402 -14.017 0.088) 14.425 6.509 ( -8.041 -5.825 -3.885) 10.662 6.635 ( -4.276 -0.213 -0.673) 4.333 6.901 ( -8.849 7.544 8.877) 14.629 6.993 ( -6.540 -6.512 -3.926) 10.030 7.095 ( 6.969 -0.355 6.672) 9.654 7.340 ( 1.616 4.493 -1.818) 5.109 7.541 ( -5.745 -1.693 6.048) 8.512 7.799 ( 0.804 -3.401 -11.373) 11.898 7.948 ( -8.876 0.573 11.952) 14.898 8.076 ( -0.483 -3.503 4.277) 5.550 8.100 ( -7.423 -1.801 -5.810) 9.597 8.296 ( -4.435 -5.531 -10.766) 12.890 8.759 ( 9.795 -1.137 6.540) 11.833 8.873 ( 5.412 2.444 1.401) 6.102 8.930 ( 17.783 3.812 3.405) 18.503 9.223 ( 11.493 2.890 2.504) 12.112 9.603 ( -0.460 2.619 10.388) 10.723 9.833 ( 0.140 -1.900 -6.262) 6.545 10.019 ( -1.390 1.308 -0.859) 2.093 10.154 ( 2.375 4.295 -5.195) 7.146 10.243 ( 3.185 -2.915 3.491) 5.553 10.396 ( 4.532 0.964 -4.856) 6.712 10.841 ( -2.687 0.295 -2.300) 3.549 10.878 ( -1.185 1.497 -0.051) 1.910 11.808 ( 2.222 2.242 17.504) 17.786 12.013 ( 0.386 5.691 -22.500) 23.212 12.175 ( -7.269 -7.646 13.097) 16.817 12.529 ( 5.477 -11.607 -5.245) 13.865 12.878 ( -0.380 7.084 1.023) 7.167 13.037 ( 2.140 9.063 -10.162) 13.784 13.444 ( -2.002 -8.540 7.098) 11.284 13.553 ( -1.650 -6.966 -6.524) 9.685 14.192 ( -3.287 2.753 -1.320) 4.486 14.349 ( 5.359 5.006 2.145) 7.640 14.530 ( -2.731 -6.133 2.662) 7.222 14.710 ( 4.598 -1.844 1.797) 5.270 15.735 ( -1.242 1.860 -1.755) 2.843 15.797 ( 0.760 4.104 -1.801) 4.546 16.003 ( -4.075 -3.753 -6.514) 8.551 16.030 ( -0.661 -2.398 2.117) 3.266 16.887 ( 0.248 4.729 5.366) 7.157 16.948 ( -0.440 3.217 -5.178) 6.112 18.265 ( -1.401 -2.222 2.467) 3.604 18.389 ( 2.195 -5.870 -3.853) 7.357 18.589 ( -0.217 6.627 3.569) 7.530 18.766 ( 6.907 0.753 0.044) 6.948 19.250 ( -2.345 -0.630 -3.769) 4.483 19.280 ( -0.144 0.526 -0.612) 0.820 20.095 ( 0.196 1.744 5.383) 5.662 20.223 ( 2.667 -0.789 -8.250) 8.706 22.255 ( -1.095 -1.297 0.119) 1.702 22.297 ( 1.042 -3.093 1.412) 3.556 22.563 ( -0.730 5.380 -0.210) 5.434 22.578 ( -0.656 6.764 -0.499) 6.814 23.027 ( -3.520 -4.232 0.529) 5.530 23.074 ( -1.979 -4.651 0.050) 5.055 25.571 ( -1.160 0.739 0.193) 1.388 25.601 ( 0.092 1.475 0.502) 1.560 25.790 ( -1.162 0.106 0.794) 1.411 25.853 ( 0.238 -1.133 -1.094) 1.593 26.080 ( -2.959 -0.601 1.556) 3.397 26.188 ( 0.147 -2.443 1.694) 2.977 26.632 ( 0.551 -0.038 0.079) 0.558 26.800 ( 4.933 -5.134 -4.275) 8.305 27.010 ( 2.737 2.510 2.598) 4.532 27.077 ( 4.262 -0.938 -1.627) 4.658 27.305 ( -1.127 4.336 4.356) 6.249 27.397 ( 0.931 1.528 -3.853) 4.248 ======================= Grid point 149 (85/96) ======================= q-point: ( 0.29 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( -0.186 -17.717 -11.115) 20.916 2.155 ( 3.413 3.482 8.487) 9.788 2.340 ( -9.255 -21.984 1.677) 23.911 2.491 ( -0.666 10.381 -6.037) 12.027 2.631 ( 2.948 6.284 4.212) 8.119 2.748 ( -2.269 2.502 -4.080) 5.297 2.859 ( 1.058 6.054 -2.501) 6.635 3.033 ( 2.549 -0.382 -2.831) 3.828 3.321 ( 2.684 3.474 -3.831) 5.826 3.454 ( -7.592 1.245 0.146) 7.694 3.561 ( -5.114 8.077 -4.288) 10.477 3.647 ( 0.195 -0.512 2.071) 2.142 3.844 ( -1.324 -6.279 1.365) 6.561 4.092 ( 5.253 -2.514 4.407) 7.304 4.204 ( 0.319 -3.239 2.020) 3.831 4.395 ( -9.159 9.601 -2.423) 13.488 4.612 ( 10.535 -18.082 3.795) 21.269 4.855 ( 0.781 6.724 -0.650) 6.800 4.949 ( -6.123 11.382 -2.635) 13.190 5.184 ( -8.027 2.750 -1.707) 8.655 5.251 ( -3.549 7.485 1.999) 8.522 5.469 ( -7.663 6.112 -3.097) 10.279 5.583 ( 10.792 -4.335 3.262) 12.079 5.722 ( 6.596 5.189 5.715) 10.154 5.963 ( -12.222 -5.704 -2.907) 13.798 6.092 ( -3.548 1.188 4.072) 5.530 6.188 ( -1.825 -17.074 -5.431) 18.010 6.394 ( 0.828 -0.461 3.275) 3.410 6.495 ( 3.966 4.475 1.843) 6.257 6.569 ( 4.987 -1.269 1.656) 5.405 6.745 ( -7.676 3.910 13.826) 16.290 6.901 ( -2.960 -9.364 1.619) 9.953 7.217 ( 1.704 5.016 0.903) 5.374 7.247 ( -8.874 3.644 0.878) 9.633 7.390 ( -7.118 6.763 -5.432) 11.221 7.706 ( -2.862 0.161 -23.764) 23.937 7.823 ( -8.502 -2.506 14.331) 16.851 8.004 ( 2.284 -4.955 -9.993) 11.386 8.203 ( 3.725 -5.442 11.139) 12.944 8.256 ( 4.305 -5.572 7.612) 10.369 8.945 ( 3.612 4.268 5.655) 7.953 9.064 ( 11.850 -0.029 6.813) 13.669 9.326 ( 13.488 4.849 6.688) 15.817 9.371 ( 9.342 3.830 7.726) 12.714 9.705 ( 4.749 -1.820 2.870) 5.840 9.794 ( 0.547 -0.374 -8.547) 8.572 9.986 ( -1.793 1.843 2.310) 3.456 10.162 ( -0.085 5.525 -9.013) 10.572 10.348 ( 5.617 -7.197 1.334) 9.226 10.443 ( 1.276 -3.494 -3.879) 5.375 10.762 ( -1.665 3.027 -8.895) 9.543 10.836 ( -4.222 0.847 2.932) 5.209 11.859 ( -4.267 1.395 13.736) 14.451 11.967 ( 3.958 6.936 -23.468) 24.789 12.098 ( -3.634 -4.466 13.759) 14.915 12.606 ( 3.941 -11.402 -9.047) 15.080 12.889 ( 1.343 3.773 1.009) 4.130 13.039 ( 1.603 7.019 -6.697) 9.833 13.420 ( -2.073 -8.391 3.222) 9.224 13.487 ( -4.060 -6.465 -1.797) 7.843 14.165 ( 0.727 5.049 1.969) 5.468 14.417 ( 0.381 0.562 1.698) 1.828 14.580 ( 6.132 -0.335 5.388) 8.170 14.799 ( 3.359 2.592 2.309) 4.831 15.688 ( -1.548 -0.431 -4.195) 4.493 15.773 ( -3.142 1.828 -2.192) 4.245 15.892 ( -3.561 -3.399 -7.911) 9.317 16.001 ( -2.888 -2.787 0.921) 4.118 16.905 ( -0.409 3.752 4.326) 5.741 16.926 ( 0.250 2.584 -4.416) 5.122 18.244 ( -1.781 0.945 2.667) 3.343 18.387 ( -0.577 -4.102 -5.373) 6.784 18.648 ( 4.380 6.014 4.541) 8.716 18.938 ( 8.978 -3.493 2.480) 9.948 19.164 ( -2.450 0.722 -8.883) 9.243 19.271 ( -2.061 -0.986 2.878) 3.675 20.118 ( -0.016 2.247 5.440) 5.886 20.247 ( 2.577 -0.192 -8.214) 8.611 22.243 ( 0.131 -0.075 -0.168) 0.226 22.317 ( 0.135 -1.670 1.781) 2.445 22.548 ( -0.128 4.771 -1.208) 4.923 22.568 ( -0.303 4.967 0.273) 4.983 22.961 ( -3.261 -4.719 1.255) 5.872 23.016 ( -3.822 -4.762 0.814) 6.160 25.553 ( -0.600 -0.196 0.233) 0.673 25.595 ( -0.837 0.461 0.230) 0.983 25.776 ( -0.488 0.352 0.699) 0.922 25.838 ( -1.211 -1.192 -0.744) 1.855 26.056 ( -0.332 0.520 1.847) 1.948 26.172 ( -1.951 -1.726 1.317) 2.919 26.666 ( 2.550 0.206 -0.025) 2.559 26.853 ( 2.290 -5.307 -5.515) 7.989 27.074 ( 2.676 2.877 2.572) 4.696 27.175 ( 5.331 0.026 -1.713) 5.600 27.295 ( -1.330 3.080 4.097) 5.296 27.415 ( 2.294 0.684 -4.041) 4.697 ======================= Grid point 150 (86/96) ======================= q-point: (-0.57 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 3.516 -24.584 -4.283) 25.200 2.101 ( -14.016 -25.818 -1.127) 29.399 2.149 ( -4.997 4.702 2.525) 7.312 2.324 ( -6.957 5.609 -13.750) 16.399 2.737 ( 8.747 8.362 11.047) 16.385 2.843 ( 8.040 5.294 2.965) 10.073 2.978 ( 3.391 4.074 1.396) 5.481 3.052 ( 0.638 3.007 -2.225) 3.794 3.288 ( -8.408 4.644 0.169) 9.607 3.347 ( -7.093 3.720 -9.449) 12.387 3.412 ( 3.669 10.278 1.540) 11.021 3.576 ( -6.713 6.068 -1.831) 9.233 3.942 ( 6.656 -3.530 9.315) 11.981 4.170 ( 4.016 -8.338 -2.215) 9.516 4.209 ( -2.540 -1.652 2.276) 3.789 4.249 ( -4.822 7.151 -2.417) 8.957 4.797 ( -4.979 10.223 -1.096) 11.424 4.802 ( -0.293 9.782 -5.466) 11.209 4.914 ( 9.262 -14.916 2.627) 17.753 5.100 ( -6.341 1.175 2.110) 6.785 5.222 ( 5.481 -3.601 6.832) 9.470 5.373 ( 2.390 -2.614 -0.264) 3.551 5.581 ( -13.283 -10.624 -1.671) 17.091 5.677 ( -12.081 -6.251 -6.695) 15.160 5.879 ( 7.466 0.715 5.156) 9.102 6.102 ( -6.621 -8.393 -1.095) 10.747 6.193 ( 13.143 4.399 5.288) 14.835 6.445 ( 2.342 7.280 2.851) 8.162 6.522 ( 1.567 5.742 0.637) 5.986 6.627 ( -7.199 -11.332 -5.397) 14.469 6.702 ( 0.407 2.451 18.275) 18.443 6.951 ( 4.204 -1.734 7.281) 8.585 7.073 ( -5.859 9.336 1.471) 11.120 7.205 ( -3.609 6.524 2.731) 7.941 7.272 ( -2.349 8.787 -8.832) 12.678 7.555 ( -3.429 1.351 -21.921) 22.228 7.740 ( -5.727 -2.644 15.106) 16.370 8.006 ( 2.704 -6.646 -14.002) 15.733 8.322 ( 5.694 -5.523 7.869) 11.174 8.418 ( 4.868 -4.493 6.507) 9.286 9.000 ( 1.397 6.777 16.410) 17.809 9.305 ( 10.083 -2.956 5.880) 12.041 9.502 ( -0.970 -0.213 0.447) 1.089 9.543 ( 6.374 6.990 1.867) 9.643 9.699 ( 0.200 -3.870 -6.594) 7.648 9.893 ( 4.492 2.129 -1.693) 5.252 10.001 ( 0.921 2.874 5.615) 6.375 10.096 ( -0.035 1.001 -5.706) 5.793 10.375 ( -0.050 -3.124 -6.195) 6.939 10.439 ( -3.330 -2.829 -1.902) 4.766 10.721 ( -3.083 -0.616 0.928) 3.278 10.767 ( 0.708 0.965 -5.589) 5.716 11.737 ( -11.776 4.626 15.791) 20.234 12.003 ( 7.788 5.417 -21.551) 23.546 12.159 ( 3.315 -4.514 13.611) 14.718 12.582 ( -2.209 -9.772 -13.767) 17.026 12.937 ( 2.250 1.373 3.299) 4.222 13.057 ( 1.702 2.615 -4.708) 5.648 13.379 ( -4.926 -7.195 5.058) 10.081 13.417 ( 0.886 -4.972 -4.892) 7.031 14.232 ( 4.557 6.276 4.539) 8.987 14.404 ( -1.796 -0.324 -1.209) 2.189 14.732 ( 6.039 4.576 4.971) 9.062 14.847 ( 1.192 5.022 -0.322) 5.171 15.644 ( -1.952 -1.256 -1.608) 2.824 15.685 ( -3.686 -0.903 -3.021) 4.851 15.852 ( 2.352 -4.591 -5.109) 7.261 15.918 ( -5.667 -3.768 -0.589) 6.831 16.893 ( -2.101 3.546 4.086) 5.804 16.938 ( 2.264 2.098 -3.979) 5.036 18.225 ( -0.884 1.912 3.140) 3.781 18.342 ( -1.597 -2.451 -5.431) 6.169 18.760 ( 4.496 5.048 5.807) 8.912 19.018 ( -2.083 1.017 -6.015) 6.446 19.171 ( 5.733 -3.492 -1.503) 6.879 19.232 ( -2.313 -2.767 2.118) 4.182 20.128 ( -0.977 2.752 5.501) 6.228 20.257 ( 1.462 -0.051 -7.682) 7.820 22.266 ( 2.218 1.440 -0.015) 2.644 22.301 ( -2.431 0.912 1.654) 3.079 22.554 ( -0.523 4.252 0.708) 4.342 22.569 ( 1.424 2.081 -1.869) 3.139 22.924 ( -0.606 -5.302 0.992) 5.428 22.951 ( -2.246 -4.869 0.318) 5.372 25.551 ( 0.264 -0.690 0.523) 0.905 25.574 ( -1.159 -0.546 0.042) 1.282 25.777 ( 0.232 0.058 0.880) 0.912 25.812 ( -0.997 -0.868 -0.788) 1.539 26.071 ( 1.036 0.872 2.299) 2.668 26.134 ( -1.994 -0.427 0.132) 2.043 26.715 ( 1.838 -0.481 1.808) 2.623 26.850 ( -0.419 -4.607 -6.374) 7.876 27.120 ( 0.129 3.549 5.003) 6.135 27.236 ( 1.774 2.021 -4.403) 5.159 27.296 ( -0.512 1.216 6.990) 7.113 27.447 ( 2.703 -0.883 -6.757) 7.330 ======================= Grid point 151 (87/96) ======================= q-point: (-0.43 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -12.486 -21.493 6.868) 25.788 2.007 ( -0.988 -6.315 10.865) 12.606 2.150 ( 7.452 -16.356 -1.549) 18.041 2.261 ( 3.936 2.170 -6.218) 7.672 2.827 ( -7.169 2.586 1.597) 7.787 2.874 ( -10.171 10.084 4.448) 14.997 3.011 ( 9.874 5.114 2.262) 11.347 3.072 ( -3.804 4.364 -9.483) 11.111 3.171 ( -3.182 3.178 4.795) 6.574 3.280 ( 1.518 8.231 3.715) 9.157 3.371 ( -0.295 5.617 2.020) 5.977 3.644 ( 10.155 6.559 -6.337) 13.649 4.073 ( 2.067 -2.708 7.291) 8.048 4.105 ( -9.493 -6.542 -3.771) 12.130 4.152 ( 0.654 3.318 1.063) 3.545 4.270 ( 3.780 -2.277 -0.943) 4.512 4.702 ( -3.177 11.233 3.059) 12.068 4.807 ( 4.127 9.946 -1.968) 10.947 4.933 ( -9.616 -10.495 1.018) 14.271 5.112 ( 6.628 -1.894 1.113) 6.982 5.314 ( -5.780 -4.454 -0.112) 7.298 5.417 ( -6.161 -2.860 -3.219) 7.516 5.483 ( 9.639 -4.978 9.365) 14.331 5.580 ( 13.984 -13.014 -1.963) 19.203 5.946 ( -7.661 1.790 -0.674) 7.896 6.047 ( 6.566 -6.552 3.806) 10.026 6.309 ( -13.196 -2.499 -5.629) 14.562 6.471 ( 7.972 1.945 3.286) 8.839 6.516 ( -1.794 9.756 -1.878) 10.095 6.580 ( 6.157 -3.663 -1.079) 7.245 6.797 ( -1.318 1.524 16.739) 16.860 6.967 ( -1.937 2.893 7.208) 8.005 7.016 ( -0.506 5.897 6.520) 8.806 7.187 ( -2.200 1.173 -3.913) 4.640 7.239 ( 2.554 10.859 1.766) 11.295 7.430 ( -1.542 3.191 -16.853) 17.222 7.715 ( -1.849 -1.033 12.959) 13.130 8.027 ( 4.163 -8.346 -12.070) 15.254 8.415 ( -0.869 -2.963 0.528) 3.133 8.463 ( 2.227 -3.038 -1.306) 3.987 9.169 ( 6.259 3.821 20.208) 21.498 9.366 ( -4.986 2.153 -9.924) 11.313 9.483 ( -7.574 -2.928 -8.546) 11.789 9.505 ( 6.359 -4.168 3.589) 8.408 9.759 ( -9.765 4.402 -8.051) 13.400 9.826 ( 5.189 6.541 3.649) 9.111 10.024 ( -4.695 -1.412 1.672) 5.180 10.118 ( 1.120 -3.776 -0.987) 4.061 10.297 ( -4.929 3.396 -1.277) 6.121 10.420 ( 3.912 -3.007 -0.715) 4.986 10.615 ( -6.376 1.349 4.069) 7.683 10.839 ( 5.904 -3.478 -5.848) 9.008 11.570 ( -10.933 9.178 19.486) 24.155 12.088 ( 7.222 2.574 -17.843) 19.421 12.271 ( 1.841 -7.662 15.352) 17.256 12.461 ( -3.295 -7.486 -14.653) 16.781 12.964 ( -1.076 2.769 2.698) 4.013 13.047 ( -0.682 0.468 -5.414) 5.477 13.324 ( -1.681 -5.043 4.335) 6.859 13.478 ( 6.588 -6.043 -4.759) 10.127 14.328 ( -1.846 3.031 -2.255) 4.205 14.360 ( 3.602 3.688 0.541) 5.183 14.791 ( -2.297 5.123 0.525) 5.639 14.861 ( 1.451 4.687 -2.869) 5.684 15.628 ( 0.671 -1.188 1.207) 1.821 15.647 ( 1.144 -1.615 -0.539) 2.051 15.788 ( -6.437 -3.277 1.167) 7.317 15.930 ( 5.619 -5.753 -1.952) 8.276 16.861 ( -2.470 3.852 3.719) 5.896 16.971 ( 2.269 1.149 -3.758) 4.538 18.237 ( 0.605 1.386 4.288) 4.547 18.302 ( -0.393 -0.129 -4.174) 4.194 18.852 ( 1.680 3.456 6.961) 7.951 18.920 ( -3.414 4.942 -7.526) 9.629 19.148 ( -5.870 -4.284 1.517) 7.424 19.293 ( 5.131 -4.859 -3.156) 7.739 20.122 ( -1.715 2.869 5.701) 6.609 20.255 ( 1.116 -0.415 -6.860) 6.963 22.252 ( -2.564 1.014 1.306) 3.051 22.317 ( 2.330 1.559 0.105) 2.805 22.528 ( -1.747 3.525 1.566) 4.234 22.589 ( 0.766 2.961 -2.262) 3.804 22.942 ( 2.034 -5.352 -0.575) 5.754 22.961 ( 3.429 -4.811 -0.784) 5.960 25.554 ( -0.665 -0.752 0.363) 1.067 25.568 ( 0.864 -0.467 0.627) 1.165 25.792 ( 0.934 -0.518 1.072) 1.514 25.796 ( -0.259 -0.491 -1.010) 1.153 26.096 ( -1.003 0.178 0.325) 1.069 26.116 ( 2.021 0.228 1.529) 2.544 26.744 ( 0.045 -1.466 3.602) 3.889 26.791 ( -3.265 -3.484 -5.730) 7.458 27.107 ( -3.295 3.241 6.217) 7.747 27.229 ( -1.173 2.066 -3.217) 3.999 27.304 ( -1.021 1.348 5.636) 5.884 27.462 ( 1.438 -0.774 -7.907) 8.074 ======================= Grid point 152 (88/96) ======================= q-point: (-0.29 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -5.440 -15.215 13.988) 21.372 2.100 ( 5.685 2.085 18.992) 19.934 2.336 ( 6.980 -20.657 1.150) 21.834 2.342 ( 4.226 0.704 -2.475) 4.948 2.661 ( -9.960 14.749 4.155) 18.276 2.741 ( -0.132 -3.643 -0.178) 3.650 2.920 ( -3.867 6.169 -8.641) 11.299 3.019 ( -6.671 4.363 -0.088) 7.972 3.215 ( 4.080 0.658 5.927) 7.226 3.360 ( 4.689 3.789 7.681) 9.764 3.514 ( 8.841 5.946 1.131) 10.714 3.727 ( -4.246 -5.549 -5.487) 8.885 3.885 ( -5.801 -3.773 -2.227) 7.270 4.107 ( 0.125 -5.459 0.360) 5.473 4.243 ( 2.295 1.348 2.212) 3.461 4.321 ( 5.786 6.261 1.901) 8.735 4.622 ( -8.527 -10.636 3.158) 13.993 4.823 ( 1.807 7.554 2.292) 8.098 4.919 ( 5.431 9.419 0.119) 10.873 5.164 ( 2.255 2.002 2.395) 3.851 5.277 ( -0.365 2.475 -2.326) 3.415 5.442 ( 9.217 3.290 0.193) 9.789 5.615 ( -3.911 -3.849 1.945) 5.822 5.777 ( -6.947 6.761 0.267) 9.698 5.904 ( 13.720 -7.799 1.898) 15.895 6.057 ( -1.585 -13.828 1.364) 13.985 6.208 ( 2.291 -1.944 -1.252) 3.255 6.441 ( -7.531 1.688 -2.241) 8.037 6.477 ( -0.433 10.576 0.625) 10.603 6.635 ( -3.297 -2.115 -1.887) 4.348 6.858 ( 7.075 -6.587 3.086) 10.147 7.039 ( -2.024 2.245 16.326) 16.604 7.078 ( 4.610 -1.208 -4.726) 6.712 7.137 ( 2.108 3.509 13.112) 13.736 7.315 ( 3.583 8.935 5.135) 10.911 7.401 ( 4.073 2.633 -9.146) 10.352 7.756 ( 1.582 -1.136 8.579) 8.797 8.066 ( 3.231 -10.670 -7.616) 13.502 8.358 ( -1.290 1.217 -7.605) 7.809 8.478 ( -0.308 -3.630 -6.093) 7.099 9.120 ( -9.154 1.201 -8.978) 12.878 9.217 ( -12.820 0.294 -8.518) 15.394 9.444 ( 1.537 1.677 15.069) 15.240 9.487 ( -17.775 1.264 -7.336) 19.271 9.580 ( 0.074 3.186 -8.730) 9.293 9.745 ( -3.516 -1.530 1.042) 3.973 9.990 ( 1.097 4.851 6.560) 8.232 10.121 ( -0.624 -0.664 -6.373) 6.438 10.330 ( 1.181 -0.598 2.835) 3.128 10.381 ( -3.652 -5.487 2.009) 6.891 10.597 ( 1.805 4.095 5.614) 7.179 10.913 ( 3.339 -3.668 -3.965) 6.350 11.481 ( -5.448 11.491 22.729) 26.045 12.132 ( 3.295 1.258 -13.176) 13.640 12.325 ( -2.146 -10.828 16.300) 19.687 12.390 ( 1.099 -9.151 -13.334) 16.209 12.944 ( -0.791 7.463 0.108) 7.506 12.998 ( -1.598 4.202 -5.653) 7.223 13.344 ( 1.433 -5.761 5.069) 7.806 13.598 ( 6.615 -8.512 -6.806) 12.749 14.245 ( -2.747 4.606 -5.903) 7.975 14.437 ( 1.886 1.754 -0.197) 2.583 14.691 ( -5.597 -0.337 -5.188) 7.639 14.849 ( -2.109 4.032 -2.778) 5.331 15.621 ( -2.454 -0.217 2.201) 3.304 15.720 ( 4.419 1.156 3.071) 5.504 15.760 ( 3.698 -2.704 5.110) 6.863 16.028 ( 4.598 -5.108 -1.805) 7.106 16.833 ( -1.597 4.178 4.032) 6.022 16.991 ( 1.036 0.795 -3.700) 3.924 18.273 ( 1.092 0.563 4.975) 5.124 18.300 ( 1.362 1.173 -2.680) 3.226 18.769 ( -5.349 4.137 -6.156) 9.144 18.964 ( 1.916 1.217 4.631) 5.158 18.996 ( -7.545 -0.799 1.698) 7.775 19.360 ( 3.315 -4.479 -4.986) 7.477 20.104 ( -2.177 2.545 5.721) 6.629 20.248 ( 0.580 -0.958 -6.824) 6.916 22.225 ( -0.568 -0.479 1.555) 1.723 22.332 ( -0.899 -1.384 0.351) 1.687 22.527 ( 1.256 6.281 1.015) 6.485 22.587 ( 0.154 4.452 -1.970) 4.871 22.997 ( 3.739 -5.269 -2.203) 6.826 23.039 ( 4.128 -4.289 -1.437) 6.124 25.550 ( 0.242 -0.246 0.516) 0.620 25.589 ( 0.858 0.568 0.796) 1.301 25.794 ( 0.489 -0.270 -1.097) 1.231 25.816 ( 0.900 -0.986 1.282) 1.851 26.081 ( 0.036 0.138 -0.645) 0.660 26.179 ( 3.285 -1.972 0.939) 3.945 26.690 ( -4.898 -1.799 -2.770) 5.907 26.741 ( -1.999 -2.317 4.743) 5.644 27.051 ( -4.323 2.205 5.611) 7.418 27.164 ( -4.264 0.637 -1.223) 4.482 27.305 ( -0.582 3.303 3.180) 4.622 27.450 ( 0.212 0.421 -6.887) 6.903 ======================= Grid point 153 (89/96) ======================= q-point: (-0.14 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 2.056 -7.351 18.075) 19.621 2.246 ( 0.061 3.886 3.028) 4.926 2.313 ( -4.424 9.926 6.084) 12.454 2.467 ( 4.783 -10.969 4.889) 12.926 2.574 ( -0.083 0.774 7.233) 7.275 2.692 ( -1.577 -3.246 -9.545) 10.205 2.945 ( -0.133 1.213 2.339) 2.638 3.021 ( 10.723 4.481 -0.113) 11.622 3.275 ( 1.373 -2.669 0.939) 3.145 3.412 ( -6.791 1.726 4.163) 8.150 3.561 ( -1.018 -8.678 0.665) 8.763 3.683 ( 6.971 -0.120 4.671) 8.392 3.841 ( -2.741 -2.509 -0.131) 3.718 4.064 ( -3.721 -1.043 -2.063) 4.381 4.248 ( 1.639 -5.062 -2.129) 5.731 4.390 ( -5.186 -15.290 4.133) 16.666 4.628 ( 10.598 7.074 2.358) 12.958 4.888 ( 3.356 10.173 -1.552) 10.825 5.036 ( 7.098 17.202 4.209) 19.079 5.248 ( -6.278 5.580 -1.532) 8.538 5.299 ( 6.573 4.768 5.986) 10.089 5.417 ( -8.406 3.805 -3.372) 9.825 5.485 ( -4.845 21.182 -3.231) 21.968 5.748 ( 5.900 -2.752 1.735) 6.737 6.075 ( 0.478 -9.336 1.620) 9.487 6.120 ( -2.559 -9.740 1.378) 10.164 6.209 ( 2.795 -4.506 -0.553) 5.331 6.294 ( -4.630 -4.734 1.356) 6.759 6.435 ( -1.802 1.419 0.536) 2.355 6.681 ( 7.985 0.610 1.008) 8.072 6.950 ( 0.888 -8.619 -0.432) 8.676 7.009 ( 0.378 0.730 2.552) 2.681 7.142 ( -0.748 -1.076 4.614) 4.797 7.272 ( 2.980 5.029 4.234) 7.218 7.408 ( 2.927 4.535 15.624) 16.530 7.547 ( 10.775 -1.055 -0.473) 10.837 7.857 ( 7.373 -2.421 6.387) 10.051 8.109 ( 3.318 -10.488 -0.678) 11.022 8.326 ( 0.554 1.521 -11.549) 11.662 8.426 ( -0.674 -2.028 -13.210) 13.381 8.877 ( -11.714 1.616 -6.333) 13.414 8.953 ( -8.895 0.033 -6.534) 11.037 9.039 ( -21.188 3.261 -6.671) 22.451 9.306 ( -14.483 -0.203 -4.917) 15.296 9.609 ( 0.080 3.052 11.955) 12.339 9.785 ( 3.978 -0.863 -5.500) 6.842 10.020 ( 0.806 5.192 3.536) 6.333 10.096 ( 0.060 -0.280 -2.929) 2.943 10.264 ( -3.070 0.320 1.954) 3.653 10.361 ( -2.449 -2.359 -1.853) 3.872 10.704 ( 5.610 3.857 7.268) 9.959 10.941 ( 0.855 -2.820 -2.825) 4.082 11.531 ( 1.427 9.470 23.980) 25.822 12.133 ( 1.676 1.264 -14.240) 14.394 12.309 ( -5.059 -11.020 15.231) 19.468 12.397 ( 3.456 -12.297 -8.197) 15.178 12.915 ( -2.425 8.290 2.589) 9.017 12.990 ( 3.347 9.972 -9.986) 14.504 13.395 ( 1.484 -7.204 5.937) 9.452 13.653 ( 1.810 -8.790 -9.774) 13.269 14.206 ( 0.724 4.225 -3.073) 5.274 14.408 ( -4.347 4.109 -3.290) 6.827 14.600 ( -0.667 -6.424 -4.285) 7.751 14.757 ( -5.905 -0.849 -2.903) 6.635 15.621 ( 1.237 4.314 6.730) 8.089 15.800 ( 2.499 2.419 0.565) 3.524 15.888 ( 5.931 -3.209 4.995) 8.392 16.085 ( 2.092 -4.254 -3.318) 5.786 16.832 ( -0.197 4.821 5.214) 7.104 16.988 ( 0.197 2.090 -3.816) 4.356 18.293 ( -0.400 -1.480 2.761) 3.158 18.331 ( 1.865 -1.246 -1.366) 2.626 18.673 ( -2.154 4.849 -4.098) 6.704 18.785 ( -9.195 -0.852 -2.201) 9.493 19.092 ( 4.927 3.130 7.757) 9.708 19.381 ( 0.761 -3.166 -6.329) 7.118 20.083 ( -1.801 1.991 5.460) 6.084 20.228 ( 0.218 -1.313 -7.452) 7.570 22.238 ( 0.962 -2.018 1.797) 2.868 22.306 ( -1.465 -2.534 0.498) 2.970 22.560 ( 1.267 7.241 0.514) 7.369 22.587 ( 0.506 5.766 -1.897) 6.091 23.057 ( 2.944 -5.091 -2.320) 6.322 23.091 ( 1.439 -3.920 -1.572) 4.462 25.565 ( 0.969 0.702 0.696) 1.384 25.601 ( 0.012 1.592 0.547) 1.683 25.809 ( 1.390 -0.395 -1.100) 1.817 25.827 ( -0.406 -0.955 1.429) 1.766 26.101 ( 2.205 -0.692 -0.582) 2.383 26.217 ( -0.473 -3.753 -1.088) 3.936 26.625 ( -0.075 -0.763 0.709) 1.044 26.703 ( -3.421 -2.407 4.676) 6.274 26.992 ( -3.328 1.646 4.896) 6.145 27.079 ( -3.169 -0.292 -1.979) 3.748 27.304 ( -0.662 4.645 3.650) 5.945 27.427 ( -0.121 1.136 -5.838) 5.949 ======================= Grid point 154 (90/96) ======================= q-point: ( 0.00 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( 9.811 8.083 10.842) 16.708 2.117 ( -2.789 -5.148 -4.878) 7.621 2.327 ( 0.163 -5.927 5.246) 7.916 2.393 ( -5.726 -7.632 0.944) 9.588 2.659 ( -4.503 15.657 5.432) 17.173 2.765 ( 3.668 9.648 -1.072) 10.377 2.964 ( 3.085 -7.245 4.896) 9.273 3.016 ( -3.573 -14.540 1.254) 15.025 3.276 ( 4.904 5.052 3.035) 7.667 3.337 ( 2.808 1.668 -3.128) 4.523 3.664 ( 2.122 2.219 3.446) 4.615 3.712 ( -1.290 0.843 1.760) 2.339 3.742 ( 3.682 -5.789 0.072) 6.861 3.813 ( -4.269 -8.626 -2.787) 10.020 4.183 ( 0.404 0.561 3.281) 3.353 4.232 ( 0.336 -3.269 -1.466) 3.599 5.005 ( 0.743 8.682 3.954) 9.569 5.056 ( 0.348 3.803 -0.766) 3.895 5.331 ( -5.123 9.966 -1.202) 11.269 5.355 ( -0.009 8.997 -2.594) 9.364 5.578 ( 12.004 2.191 2.631) 12.483 5.603 ( -8.479 1.194 -0.074) 8.563 5.648 ( 6.178 4.498 11.137) 13.507 5.758 ( -1.027 1.808 2.624) 3.348 5.887 ( -1.291 1.789 2.426) 3.280 5.952 ( 0.653 -1.261 0.005) 1.420 6.045 ( -4.806 -5.152 -4.306) 8.258 6.096 ( -3.605 -6.432 -6.478) 9.815 6.463 ( 1.792 -2.312 2.132) 3.619 6.575 ( -4.465 -11.459 -8.377) 14.880 6.967 ( 6.810 3.384 4.043) 8.612 7.043 ( -1.679 -3.175 -2.546) 4.402 7.155 ( -1.677 7.607 15.119) 17.008 7.325 ( -3.022 -5.672 1.435) 6.585 7.470 ( 1.026 2.804 9.948) 10.386 7.600 ( 3.549 -7.640 0.089) 8.425 8.023 ( 3.657 1.125 6.766) 7.773 8.070 ( 1.458 -3.185 6.940) 7.774 8.256 ( -3.045 1.539 -12.516) 12.973 8.312 ( -0.824 -3.689 -13.446) 13.967 8.762 ( -10.850 4.901 -1.307) 11.977 8.809 ( -1.055 1.858 -5.415) 5.821 8.906 ( -3.760 -1.189 -0.824) 4.029 8.942 ( 4.335 -2.933 -4.219) 6.723 9.708 ( -1.195 4.426 7.104) 8.455 9.779 ( 0.479 -2.845 0.566) 2.940 10.135 ( -2.147 5.124 0.769) 5.609 10.174 ( 4.302 2.756 -2.864) 5.857 10.248 ( -3.866 0.490 2.087) 4.420 10.304 ( 3.098 -3.548 -3.190) 5.689 10.860 ( 2.636 1.720 1.985) 3.721 10.891 ( 0.804 -1.696 -0.934) 2.097 11.827 ( -0.322 9.755 18.377) 20.808 12.039 ( -3.373 -11.310 13.597) 18.005 12.163 ( 2.437 4.234 -13.810) 14.648 12.263 ( 4.392 -6.672 -7.889) 11.227 13.052 ( -1.347 7.961 3.890) 8.963 13.169 ( 0.919 0.868 -5.851) 5.985 13.301 ( 0.461 -1.238 1.400) 1.924 13.429 ( -0.074 -9.555 -9.281) 13.321 14.353 ( 4.634 6.485 -0.564) 7.990 14.378 ( -6.929 6.021 -2.924) 9.634 14.491 ( 2.858 -7.277 -0.288) 7.823 14.511 ( -5.423 -6.864 -2.284) 9.041 15.816 ( 3.211 6.186 4.090) 8.081 15.886 ( -0.717 4.300 -2.447) 4.999 15.924 ( 3.680 -4.236 2.988) 6.357 15.986 ( -1.458 -5.210 -3.108) 6.239 16.968 ( 0.670 4.696 3.591) 5.950 17.015 ( 0.182 0.130 -0.906) 0.933 18.234 ( -1.302 -1.081 -0.556) 1.781 18.258 ( -0.566 -3.355 -2.767) 4.385 18.703 ( -0.977 3.617 2.722) 4.631 18.742 ( 0.193 0.225 -0.621) 0.688 19.252 ( 2.181 2.701 0.917) 3.590 19.302 ( -0.574 -2.303 -3.696) 4.393 20.122 ( -0.023 2.645 1.205) 2.907 20.175 ( 0.786 -2.510 -3.977) 4.768 22.233 ( 0.435 -0.512 1.496) 1.640 22.243 ( -0.430 -1.443 0.492) 1.584 22.700 ( -0.325 5.922 -0.026) 5.931 22.721 ( 0.058 4.875 -2.297) 5.389 22.978 ( -0.169 -4.565 -0.380) 4.584 22.989 ( -0.709 -4.756 -1.593) 5.065 25.619 ( 0.159 1.429 0.938) 1.716 25.625 ( -0.348 0.992 0.342) 1.106 25.804 ( -0.403 -0.148 0.585) 0.726 25.815 ( 0.932 -1.185 -0.597) 1.621 26.118 ( -2.071 -1.038 0.616) 2.397 26.120 ( 0.853 -1.157 0.399) 1.492 26.626 ( -0.173 -0.406 1.483) 1.547 26.643 ( 2.444 -2.077 -0.070) 3.208 27.005 ( 0.039 1.605 2.063) 2.614 27.028 ( -0.122 -0.746 -0.053) 0.757 27.392 ( -0.329 3.224 0.802) 3.339 27.424 ( -0.199 -0.054 -2.163) 2.173 ======================= Grid point 155 (91/96) ======================= q-point: ( 0.14 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( -9.822 1.790 -9.856) 14.029 2.076 ( -3.122 -8.113 -0.514) 8.708 2.234 ( -3.410 1.987 7.128) 8.147 2.417 ( 2.463 -12.098 6.119) 13.779 2.711 ( 6.385 18.077 6.604) 20.277 2.864 ( 6.713 9.714 -0.794) 11.835 3.016 ( -0.520 -5.407 -0.133) 5.434 3.081 ( 3.893 -4.670 1.303) 6.219 3.279 ( 0.363 -3.675 -3.851) 5.336 3.317 ( -1.527 -0.060 -5.724) 5.924 3.657 ( -2.592 1.544 -2.434) 3.877 3.726 ( -2.515 -0.321 -3.361) 4.210 3.747 ( 3.544 -1.471 3.224) 5.012 3.836 ( 3.677 -8.775 2.009) 9.724 4.187 ( -0.432 1.904 0.901) 2.150 4.257 ( 1.688 -5.613 -0.443) 5.878 4.933 ( -6.266 14.777 0.279) 16.053 5.038 ( -5.317 4.962 -0.083) 7.273 5.212 ( -0.876 3.805 5.510) 6.753 5.306 ( -8.726 -3.259 -0.097) 9.315 5.518 ( -1.289 10.625 0.981) 10.748 5.575 ( -6.342 9.603 -4.839) 12.484 5.685 ( -1.381 2.019 3.288) 4.098 5.785 ( -7.384 -1.068 -5.702) 9.391 5.915 ( 1.589 -6.723 -1.126) 6.999 5.961 ( -1.745 -7.433 -0.468) 7.650 6.058 ( 4.601 -1.161 3.982) 6.194 6.117 ( 12.550 -2.748 8.437) 15.370 6.453 ( 0.181 2.030 1.409) 2.478 6.586 ( 3.176 -7.362 1.294) 8.122 6.857 ( -10.219 0.343 -4.061) 11.002 6.944 ( -9.218 -5.185 -0.350) 10.582 7.211 ( 2.990 10.547 11.358) 15.785 7.371 ( 1.126 -3.669 7.565) 8.483 7.529 ( 0.931 2.945 1.877) 3.615 7.668 ( 3.136 -9.413 -5.186) 11.195 7.962 ( -6.901 1.116 4.753) 8.453 7.996 ( -5.875 -2.674 0.473) 6.472 8.110 ( -7.403 2.525 -3.428) 8.540 8.190 ( -7.439 -5.058 -9.752) 13.267 8.772 ( 9.865 2.325 6.135) 11.847 8.833 ( 8.913 -3.382 4.505) 10.544 9.090 ( 16.363 8.548 0.155) 18.462 9.219 ( 16.525 -3.831 -0.047) 16.963 9.691 ( -2.296 5.604 5.981) 8.512 9.784 ( -0.355 -3.418 -0.010) 3.436 10.081 ( -2.703 4.400 -0.714) 5.213 10.168 ( -2.422 -3.926 2.645) 5.318 10.248 ( 3.114 4.730 -4.775) 7.408 10.353 ( 1.951 -4.947 -2.358) 5.818 10.873 ( -0.453 2.435 -3.652) 4.413 10.900 ( -0.143 0.155 -1.839) 1.851 11.878 ( -0.844 5.130 15.227) 16.090 12.011 ( -4.143 -8.149 11.880) 14.990 12.156 ( 2.698 8.150 -16.988) 19.034 12.325 ( 5.029 -9.207 -9.861) 14.398 13.033 ( -1.837 8.672 3.563) 9.553 13.172 ( 1.306 0.926 -4.828) 5.086 13.279 ( -3.027 -3.452 1.626) 4.870 13.389 ( -1.088 -8.681 -6.652) 10.991 14.273 ( -2.834 5.405 0.119) 6.104 14.393 ( -3.597 -6.364 1.047) 7.385 14.483 ( 7.915 7.185 2.304) 10.935 14.626 ( 7.604 -6.440 2.206) 10.206 15.803 ( -3.774 4.714 -3.361) 6.911 15.875 ( -1.729 1.937 -0.950) 2.765 15.920 ( -2.280 -2.788 -4.760) 5.969 15.970 ( -0.003 -3.553 0.944) 3.676 16.977 ( -0.644 3.395 2.010) 3.998 16.999 ( -1.077 1.165 -1.930) 2.499 18.239 ( 1.381 0.072 1.753) 2.233 18.281 ( 2.505 -4.262 -0.449) 4.964 18.710 ( 0.811 4.741 2.664) 5.498 18.765 ( 2.631 -1.106 0.211) 2.862 19.251 ( -2.239 0.941 -3.526) 4.282 19.276 ( -0.540 -1.044 -1.243) 1.710 20.141 ( 1.452 2.802 0.967) 3.301 20.193 ( 2.487 -2.226 -4.238) 5.395 22.238 ( 0.042 -0.219 0.186) 0.291 22.251 ( 0.912 -1.494 1.178) 2.110 22.684 ( -1.193 5.903 0.273) 6.028 22.707 ( -0.829 4.836 -1.155) 5.041 22.932 ( -3.667 -3.950 0.145) 5.391 22.961 ( -2.526 -5.788 0.308) 6.323 25.596 ( -1.854 1.589 0.390) 2.473 25.617 ( -1.165 -0.168 0.580) 1.312 25.797 ( -0.378 0.838 0.081) 0.923 25.824 ( 0.034 -1.665 -0.828) 1.860 26.085 ( -1.297 1.382 1.389) 2.349 26.131 ( -0.098 -2.975 1.264) 3.234 26.645 ( 1.960 1.680 -0.869) 2.724 26.704 ( 3.522 -4.240 -2.223) 5.943 27.048 ( 3.300 1.351 1.239) 3.775 27.065 ( 3.814 -0.498 0.614) 3.895 27.383 ( -0.888 3.080 0.837) 3.313 27.415 ( 0.015 -0.128 -1.366) 1.373 ======================= Grid point 156 (92/96) ======================= q-point: ( 0.29 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( -7.489 -2.191 -9.326) 12.160 1.883 ( -10.999 -17.844 -5.845) 21.761 2.298 ( 2.645 8.467 6.400) 10.938 2.485 ( 1.894 -9.385 0.243) 9.577 2.791 ( -1.116 10.151 -2.289) 10.465 2.885 ( -8.311 2.608 -3.383) 9.345 3.005 ( 6.594 10.552 0.813) 12.470 3.106 ( 3.676 6.373 1.950) 7.611 3.321 ( 2.148 -6.163 -2.303) 6.921 3.367 ( 1.777 -8.578 3.159) 9.312 3.592 ( -0.856 3.141 -3.719) 4.942 3.677 ( 0.438 1.522 -6.259) 6.456 3.824 ( 4.333 0.895 1.987) 4.850 3.956 ( 7.595 -7.928 4.092) 11.717 4.164 ( -2.114 1.307 0.190) 2.493 4.285 ( 1.540 -10.408 0.072) 10.521 4.808 ( -6.531 21.982 2.040) 23.022 4.978 ( -1.003 4.155 1.209) 4.442 5.073 ( -8.276 2.428 3.015) 9.137 5.295 ( -6.848 -2.674 -5.494) 9.178 5.376 ( -1.705 -4.118 3.097) 5.427 5.420 ( -10.841 4.908 0.227) 11.902 5.525 ( -12.362 2.048 -7.890) 14.808 5.713 ( -4.984 -9.769 -0.054) 10.967 5.821 ( -2.465 -1.443 -2.814) 4.009 5.916 ( 1.017 -8.492 -3.133) 9.108 6.220 ( 3.984 8.829 6.446) 11.635 6.373 ( 7.730 -5.211 4.898) 10.531 6.549 ( 5.668 4.115 4.593) 8.376 6.653 ( 2.697 4.617 7.154) 8.931 6.692 ( -3.804 -4.305 -0.468) 5.763 6.800 ( -4.170 -2.994 7.333) 8.951 7.265 ( -2.740 4.758 7.770) 9.514 7.338 ( -3.599 0.400 2.625) 4.473 7.516 ( -0.223 6.465 -6.557) 9.211 7.672 ( -0.737 -7.959 -2.054) 8.253 7.795 ( -6.502 4.542 -16.892) 18.662 7.910 ( -1.654 -5.102 -10.054) 11.395 8.105 ( 1.335 -2.535 12.925) 13.239 8.137 ( 3.899 -5.013 16.126) 17.331 9.015 ( 9.341 2.687 5.336) 11.088 9.054 ( 9.981 -1.272 5.584) 11.507 9.414 ( 13.224 5.567 5.442) 15.345 9.482 ( 9.903 1.899 3.140) 10.561 9.682 ( -0.810 1.713 1.296) 2.296 9.761 ( 0.236 -3.524 -3.581) 5.030 10.052 ( 0.147 4.898 1.823) 5.228 10.179 ( 0.708 -7.295 0.580) 7.353 10.277 ( 3.135 3.896 -4.498) 6.726 10.359 ( 0.357 -4.355 -4.156) 6.031 10.827 ( -2.533 2.878 -6.401) 7.461 10.853 ( -3.619 0.247 -2.902) 4.645 11.895 ( -3.308 2.634 13.537) 14.182 11.977 ( -3.035 -5.488 11.897) 13.448 12.157 ( 4.326 10.392 -18.888) 21.988 12.376 ( 4.053 -11.647 -13.304) 18.141 13.015 ( -1.250 9.113 4.099) 10.070 13.173 ( 0.178 6.311 -6.235) 8.874 13.225 ( -2.576 -10.316 4.649) 11.605 13.329 ( -2.506 -8.448 -5.455) 10.363 14.270 ( 1.721 5.310 2.706) 6.203 14.369 ( -0.092 -4.536 2.640) 5.249 14.667 ( 9.349 7.402 4.376) 12.702 14.791 ( 7.742 -3.903 3.893) 9.504 15.705 ( -4.292 2.371 -4.756) 6.831 15.770 ( -5.885 -3.266 -4.868) 8.306 15.866 ( -3.129 2.266 -3.969) 5.539 15.933 ( -3.536 -3.839 -1.234) 5.363 16.970 ( -0.217 2.057 -0.015) 2.069 16.973 ( -0.776 1.609 -1.038) 2.066 18.269 ( 0.177 1.536 2.654) 3.071 18.311 ( 0.339 -3.041 -0.380) 3.084 18.769 ( 4.077 5.358 3.433) 7.557 18.857 ( 6.047 -4.236 2.158) 7.693 19.188 ( -2.128 2.157 -4.974) 5.824 19.240 ( -2.494 -2.408 -1.678) 3.851 20.175 ( 1.345 3.186 0.703) 3.529 20.228 ( 2.271 -1.933 -4.411) 5.325 22.252 ( 1.519 1.042 0.121) 1.846 22.282 ( 1.777 -1.798 1.204) 2.800 22.662 ( -1.213 5.938 0.598) 6.090 22.684 ( -1.089 5.518 -0.804) 5.682 22.853 ( -4.205 -4.797 0.963) 6.451 22.893 ( -4.286 -6.849 0.848) 8.124 25.563 ( -1.487 1.104 0.196) 1.862 25.588 ( -1.790 -1.105 0.252) 2.119 25.789 ( -0.506 0.922 -0.002) 1.052 25.812 ( -0.854 -1.348 -0.660) 1.727 26.081 ( 0.130 2.012 1.634) 2.596 26.128 ( -0.569 -2.574 1.330) 2.952 26.686 ( 2.388 2.055 -1.591) 3.529 26.751 ( 2.254 -4.539 -3.333) 6.065 27.127 ( 3.898 2.401 1.769) 4.908 27.164 ( 5.111 -1.238 1.598) 5.496 27.365 ( -1.104 3.440 -0.105) 3.614 27.413 ( 0.273 -1.250 -1.891) 2.284 ======================= Grid point 157 (93/96) ======================= q-point: (-0.57 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -3.715 -9.331 -5.123) 11.275 1.652 ( -9.815 -15.967 -5.235) 19.460 2.286 ( -4.576 7.974 1.059) 9.254 2.396 ( -6.894 -0.991 -7.938) 10.561 2.847 ( 6.593 -1.586 2.931) 7.387 2.854 ( 4.601 0.344 3.753) 5.948 3.052 ( -2.643 10.628 5.420) 12.219 3.215 ( 4.125 7.771 -0.382) 8.806 3.266 ( -6.160 -8.283 1.050) 10.376 3.317 ( -3.200 -2.412 -2.629) 4.793 3.648 ( 6.333 8.894 -1.988) 11.098 3.712 ( 0.529 3.675 -0.033) 3.713 3.984 ( 8.331 8.207 3.456) 12.194 4.024 ( 1.524 -2.774 -1.961) 3.724 4.136 ( -2.566 -2.624 3.065) 4.782 4.337 ( 1.121 -11.972 -4.433) 12.815 4.727 ( 2.120 9.937 5.419) 11.515 4.949 ( -6.030 4.008 2.887) 7.795 4.980 ( -0.804 1.938 -0.007) 2.098 5.060 ( -13.369 -6.513 -4.118) 15.431 5.228 ( -2.837 3.562 1.559) 4.813 5.324 ( -3.595 -4.700 0.354) 5.928 5.387 ( -2.965 -1.298 -4.168) 5.277 5.506 ( -8.375 -9.628 -6.144) 14.163 5.896 ( 5.055 1.780 2.849) 6.070 5.960 ( 2.624 -4.918 0.223) 5.578 6.250 ( 0.680 3.466 1.582) 3.870 6.376 ( -6.300 -9.387 -0.596) 11.321 6.628 ( 1.806 4.457 2.472) 5.407 6.667 ( 0.269 3.281 0.837) 3.396 6.761 ( 4.215 6.658 16.278) 18.085 6.894 ( 5.361 -4.660 9.146) 11.581 7.205 ( -3.975 5.716 3.078) 7.613 7.281 ( -3.775 -0.093 -1.585) 4.096 7.488 ( -0.351 10.446 -4.427) 11.351 7.646 ( -3.359 -0.789 1.233) 3.664 7.650 ( -1.116 2.745 -10.162) 10.585 7.843 ( -0.738 -9.702 -11.129) 14.783 8.242 ( 6.129 -0.996 11.480) 13.052 8.302 ( 6.160 -6.063 9.041) 12.508 9.140 ( 3.209 6.618 9.182) 11.765 9.242 ( 6.756 -3.840 6.407) 10.072 9.509 ( -2.487 1.886 -1.397) 3.420 9.581 ( -4.826 -4.588 -7.508) 10.036 9.733 ( 11.219 8.157 5.228) 14.824 9.871 ( 8.526 -4.735 3.050) 10.218 10.064 ( -2.915 3.160 -1.934) 4.714 10.107 ( -4.997 -0.720 -2.990) 5.867 10.348 ( 2.900 0.836 -2.581) 3.971 10.386 ( 3.798 -2.408 -1.130) 4.636 10.728 ( -5.180 1.610 -2.583) 6.008 10.766 ( -2.793 -1.342 -6.150) 6.887 11.847 ( -6.193 6.424 14.958) 17.417 11.988 ( -0.685 -7.399 12.082) 14.184 12.186 ( 4.809 8.144 -17.433) 19.833 12.373 ( 0.817 -10.571 -15.428) 18.720 13.015 ( -0.066 6.950 3.755) 7.900 13.132 ( -1.687 2.933 -4.272) 5.449 13.213 ( -0.822 -6.872 3.478) 7.746 13.291 ( 1.138 -7.253 -5.157) 8.972 14.336 ( 3.311 3.740 2.754) 5.704 14.386 ( 0.496 -1.613 1.538) 2.283 14.856 ( 7.549 6.887 4.185) 11.042 14.927 ( 4.020 0.960 2.329) 4.744 15.618 ( -2.733 -0.415 -2.936) 4.033 15.649 ( -4.171 -2.775 -4.023) 6.425 15.792 ( -1.780 -0.237 -3.436) 3.877 15.835 ( -5.265 -3.940 -2.348) 6.983 16.958 ( -1.012 2.344 1.146) 2.799 16.972 ( 0.711 0.831 -1.683) 2.007 18.268 ( -0.568 2.100 2.103) 3.026 18.302 ( -0.543 -1.555 -0.656) 1.773 18.869 ( 3.854 5.357 4.540) 8.010 18.970 ( 3.291 -4.942 1.386) 6.097 19.148 ( 0.216 0.913 -4.845) 4.935 19.180 ( -2.558 -2.139 -1.950) 3.863 20.191 ( 0.019 3.234 0.772) 3.325 20.242 ( 0.771 -1.721 -4.202) 4.606 22.296 ( 2.391 1.418 0.390) 2.807 22.313 ( 0.295 -0.066 1.212) 1.249 22.642 ( -1.085 5.504 0.988) 5.697 22.665 ( -0.020 6.318 -1.437) 6.479 22.794 ( -1.803 -6.896 1.508) 7.286 22.826 ( -1.783 -7.226 -0.560) 7.464 25.545 ( -0.338 0.167 0.279) 0.469 25.557 ( -1.212 -0.958 0.078) 1.547 25.781 ( -0.212 0.421 0.204) 0.514 25.794 ( -0.626 -0.855 -0.468) 1.159 26.095 ( 0.547 1.392 1.778) 2.323 26.120 ( -0.659 -1.046 0.899) 1.529 26.717 ( 1.081 1.027 -0.749) 1.669 26.763 ( 0.133 -3.652 -3.373) 4.973 27.193 ( 0.938 3.556 4.624) 5.908 27.246 ( 1.586 -1.457 3.465) 4.080 27.346 ( 0.018 3.667 -2.093) 4.222 27.413 ( 1.204 -2.712 -4.913) 5.739 ======================= Grid point 158 (94/96) ======================= q-point: (-0.43 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -3.929 -7.848 3.456) 9.433 1.594 ( 4.908 -18.013 0.716) 18.684 2.214 ( -2.608 7.681 7.237) 10.871 2.310 ( 0.610 -0.527 -0.081) 0.810 2.842 ( -6.999 1.546 1.061) 7.246 2.933 ( -2.280 -6.097 -1.263) 6.631 3.067 ( -0.502 7.039 6.328) 9.479 3.151 ( 0.399 -1.132 6.792) 6.898 3.262 ( 1.460 7.347 -4.880) 8.940 3.361 ( 7.206 -2.062 -2.949) 8.054 3.567 ( -11.030 13.629 4.644) 18.138 3.751 ( -2.848 -1.651 -2.371) 4.057 3.986 ( -1.015 1.175 0.644) 1.681 4.051 ( -3.099 -2.196 -1.796) 4.201 4.189 ( -0.835 0.570 0.374) 1.078 4.263 ( 0.898 -3.489 -0.844) 3.701 4.759 ( -5.646 4.828 1.622) 7.604 4.944 ( 2.398 1.577 1.605) 3.288 4.957 ( 6.652 3.904 2.830) 8.216 5.048 ( 11.961 -4.264 -0.881) 12.729 5.248 ( 1.753 -0.084 4.271) 4.617 5.329 ( 3.844 -5.182 1.932) 6.735 5.361 ( -2.813 -3.450 -5.043) 6.726 5.390 ( 3.688 -5.828 1.910) 7.157 5.951 ( -3.158 -0.259 -1.598) 3.548 5.964 ( -0.508 -2.106 -0.040) 2.167 6.264 ( -2.050 0.486 -0.376) 2.140 6.345 ( 7.563 -7.291 1.794) 10.657 6.651 ( -1.420 3.737 0.032) 3.998 6.672 ( 0.657 2.352 1.066) 2.665 6.884 ( 1.537 6.878 12.177) 14.069 6.975 ( 1.038 -1.787 7.334) 7.620 7.113 ( -6.083 4.098 2.917) 7.893 7.177 ( -6.499 -1.774 1.941) 7.011 7.484 ( 0.335 11.411 -1.949) 11.581 7.569 ( -0.579 10.850 -8.322) 13.686 7.658 ( 0.194 -5.360 4.784) 7.187 7.809 ( 0.706 -12.895 -7.781) 15.077 8.365 ( 2.917 -0.835 1.702) 3.479 8.396 ( 2.413 -3.371 -2.025) 4.614 9.263 ( 3.620 5.468 9.375) 11.441 9.375 ( 3.239 -5.091 -3.212) 6.836 9.413 ( -3.642 0.966 -0.008) 3.768 9.451 ( -2.705 -2.297 -2.361) 4.262 9.858 ( -11.290 5.291 -6.717) 14.162 9.932 ( -1.518 1.434 0.139) 2.092 9.988 ( -0.757 -0.584 1.016) 1.395 10.042 ( 4.919 -3.353 4.121) 7.240 10.374 ( -3.452 3.000 -4.040) 6.102 10.391 ( -0.415 0.122 -1.042) 1.128 10.651 ( -1.542 3.030 2.360) 4.139 10.746 ( 2.767 -5.710 -2.442) 6.799 11.784 ( -5.951 11.986 17.638) 22.140 12.025 ( -0.583 -11.550 13.320) 17.640 12.196 ( 1.823 3.580 -14.388) 14.938 12.306 ( -1.357 -7.215 -14.737) 16.465 13.043 ( 1.251 5.117 3.578) 6.368 13.110 ( 1.505 3.677 -3.933) 5.591 13.211 ( -0.525 -3.574 1.534) 3.925 13.322 ( 3.851 -9.079 -6.314) 11.710 14.380 ( -0.966 1.943 -1.246) 2.502 14.399 ( 1.970 0.196 0.070) 1.981 14.921 ( -3.788 6.216 -1.554) 7.443 14.957 ( 0.054 3.085 -1.049) 3.260 15.593 ( 0.423 -1.730 0.303) 1.806 15.602 ( 0.919 -2.260 -0.307) 2.459 15.752 ( -1.483 0.371 0.408) 1.582 15.809 ( 3.888 -5.331 -0.010) 6.598 16.938 ( -1.382 3.417 1.563) 4.003 16.980 ( 0.468 -0.693 -1.071) 1.359 18.275 ( 0.607 2.106 1.786) 2.827 18.301 ( 0.824 -0.352 -0.806) 1.205 18.920 ( -1.460 3.174 3.133) 4.693 18.974 ( -1.457 -1.385 -2.030) 2.857 19.107 ( -2.662 2.176 -1.300) 3.676 19.188 ( 3.341 -5.125 -2.695) 6.685 20.184 ( -1.032 3.110 1.400) 3.563 20.234 ( -0.030 -1.839 -3.320) 3.795 22.286 ( -2.789 2.155 1.254) 3.741 22.322 ( -0.696 -1.096 0.336) 1.341 22.636 ( 0.715 6.943 1.267) 7.093 22.676 ( 1.206 5.286 -2.077) 5.806 22.811 ( 2.921 -6.912 0.236) 7.507 22.837 ( 3.386 -7.090 -1.996) 8.107 25.545 ( 0.014 -0.014 0.297) 0.298 25.553 ( 0.963 -0.766 0.452) 1.311 25.784 ( 0.364 -0.181 0.437) 0.597 25.786 ( 0.051 -0.397 -0.304) 0.503 26.106 ( -0.567 0.651 1.019) 1.336 26.116 ( 0.537 -0.300 1.093) 1.254 26.719 ( -0.871 -0.615 0.708) 1.280 26.732 ( -2.163 -2.012 -2.253) 3.715 27.180 ( -3.837 3.729 5.426) 7.620 27.236 ( -3.626 -1.626 3.891) 5.561 27.358 ( 1.820 3.836 -2.818) 5.096 27.428 ( 2.054 -2.805 -5.834) 6.792 ======================= Grid point 159 (95/96) ======================= q-point: (-0.29 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 4.365 1.638 10.107) 11.130 1.769 ( 10.397 -22.043 5.794) 25.051 2.268 ( 3.788 6.948 11.798) 14.206 2.382 ( 3.632 -2.424 5.353) 6.908 2.731 ( -3.378 4.042 2.463) 5.815 2.848 ( -0.856 -3.490 0.330) 3.609 3.015 ( -7.590 11.028 -0.011) 13.388 3.144 ( -3.590 1.544 2.877) 4.852 3.273 ( -3.254 6.273 0.055) 7.067 3.420 ( -1.963 -2.845 -0.327) 3.472 3.527 ( 5.085 -0.455 3.866) 6.404 3.565 ( -7.606 -3.663 1.700) 8.611 3.881 ( -7.045 0.408 -3.345) 7.809 4.013 ( -3.962 -7.355 -1.279) 8.452 4.150 ( -0.861 -0.802 0.959) 1.518 4.270 ( 0.141 -7.376 0.909) 7.433 4.811 ( 5.754 21.691 1.208) 22.474 4.992 ( 3.241 5.112 -0.290) 6.060 5.112 ( 8.660 5.887 2.126) 10.686 5.213 ( 2.651 0.155 1.082) 2.868 5.344 ( 6.313 5.526 6.785) 10.790 5.426 ( 10.422 -3.336 1.744) 11.081 5.451 ( 5.154 -10.478 -3.911) 12.314 5.585 ( 13.605 -15.188 9.818) 22.631 5.845 ( -5.704 1.590 -3.135) 6.700 5.905 ( -2.947 -4.113 -0.723) 5.111 6.292 ( 2.113 7.401 -1.142) 7.781 6.434 ( -2.971 -5.075 -1.955) 6.196 6.600 ( -2.226 2.497 -1.147) 3.536 6.686 ( 1.846 -2.299 1.454) 3.287 6.816 ( -7.111 10.614 -7.811) 14.974 6.991 ( -3.867 -5.445 -10.236) 12.222 7.102 ( 2.056 2.676 23.905) 24.142 7.145 ( 2.419 -1.407 21.406) 21.589 7.471 ( 1.487 6.903 -6.021) 9.279 7.566 ( -0.123 11.247 -0.971) 11.290 7.672 ( 1.081 -7.489 1.826) 7.784 7.814 ( 1.647 -12.877 -0.942) 13.016 8.376 ( 1.187 1.018 -9.932) 10.054 8.411 ( 1.253 -2.694 -8.672) 9.167 9.156 ( -10.510 2.202 -7.787) 13.264 9.198 ( -12.165 -1.873 -8.561) 14.993 9.490 ( -1.214 3.618 8.133) 8.984 9.573 ( -4.142 -2.194 -2.154) 5.159 9.582 ( -3.326 5.180 -0.855) 6.215 9.691 ( -9.041 -4.206 -0.103) 9.971 10.090 ( 2.592 3.554 3.585) 5.675 10.113 ( 1.010 0.197 0.197) 1.048 10.305 ( -4.615 -1.053 -3.760) 6.046 10.321 ( 0.065 -1.266 -1.402) 1.890 10.690 ( 2.731 5.699 5.944) 8.676 10.813 ( 3.319 -6.229 1.538) 7.223 11.752 ( -4.099 15.096 19.686) 25.144 12.052 ( -2.304 -15.096 16.104) 22.194 12.167 ( 1.208 1.965 -12.824) 13.030 12.238 ( -0.321 -5.686 -12.006) 13.288 13.069 ( -0.364 6.062 3.630) 7.075 13.155 ( 4.514 10.421 -7.906) 13.837 13.208 ( -0.177 -7.051 3.371) 7.818 13.387 ( 5.179 -12.005 -8.250) 15.460 14.338 ( -1.793 4.587 -3.783) 6.210 14.419 ( 0.612 -3.296 -2.140) 3.977 14.769 ( -9.097 6.772 -5.596) 12.646 14.873 ( -7.099 -2.341 -4.132) 8.541 15.627 ( 2.756 1.394 2.763) 4.144 15.678 ( 5.341 -3.435 3.701) 7.350 15.795 ( 4.100 4.675 3.284) 7.032 15.908 ( 5.077 -6.459 1.137) 8.294 16.923 ( -0.642 4.347 2.219) 4.923 16.985 ( 0.510 -1.714 -0.333) 1.819 18.297 ( 0.618 1.662 1.095) 2.084 18.317 ( 0.760 0.059 -1.693) 1.857 18.834 ( -5.543 2.403 -1.922) 6.340 18.891 ( -6.763 -3.971 -1.155) 7.927 19.109 ( 2.780 7.567 1.447) 8.190 19.250 ( 3.641 -6.524 -2.335) 7.827 20.162 ( -1.744 3.099 1.751) 3.964 20.216 ( -0.668 -2.276 -2.871) 3.724 22.239 ( -1.998 1.801 1.313) 2.993 22.286 ( -2.301 -2.718 0.620) 3.615 22.671 ( 1.737 6.702 0.516) 6.943 22.694 ( 1.704 5.500 -2.593) 6.315 22.881 ( 4.231 -4.914 -1.661) 6.694 22.922 ( 4.934 -6.842 -2.072) 8.686 25.559 ( 1.264 1.089 0.524) 1.749 25.584 ( 1.775 -1.039 0.638) 2.153 25.790 ( 0.412 -0.021 -0.161) 0.443 25.797 ( 0.586 -0.752 0.693) 1.178 26.097 ( -0.277 1.469 0.154) 1.502 26.135 ( 0.816 -2.283 0.794) 2.551 26.669 ( -3.413 -0.001 -0.119) 3.415 26.692 ( -2.405 -2.182 2.179) 3.911 27.106 ( -4.918 3.021 3.860) 6.943 27.154 ( -5.329 -1.618 2.251) 6.007 27.381 ( 1.168 3.900 -1.601) 4.375 27.439 ( 0.922 -1.749 -4.257) 4.694 ======================= Grid point 160 (96/96) ======================= q-point: (-0.14 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 9.551 7.742 12.193) 17.315 1.999 ( 10.224 -21.094 5.958) 24.186 2.351 ( 0.212 4.183 -1.148) 4.342 2.435 ( 0.483 -1.708 4.821) 5.138 2.726 ( -0.175 8.467 5.218) 9.948 2.815 ( -11.092 15.000 2.938) 18.885 2.924 ( 2.428 -5.855 6.854) 9.336 3.119 ( 1.022 -1.097 -0.282) 1.526 3.176 ( -5.463 -5.434 4.897) 9.130 3.285 ( -2.247 -5.160 -2.984) 6.370 3.591 ( 3.507 6.817 6.829) 10.267 3.643 ( 4.247 -1.476 1.528) 4.749 3.783 ( -3.148 -3.063 -1.602) 4.675 3.901 ( -4.224 -12.722 -2.751) 13.684 4.163 ( 0.212 2.830 2.438) 3.741 4.254 ( -1.556 -3.984 0.031) 4.278 4.920 ( 4.966 15.293 1.628) 16.161 5.041 ( 2.091 3.501 -0.591) 4.120 5.281 ( 6.183 0.886 -0.402) 6.259 5.305 ( 6.934 3.168 2.852) 8.139 5.466 ( 3.989 11.535 0.847) 12.235 5.509 ( 1.829 8.446 4.966) 9.967 5.666 ( 8.862 -5.502 3.673) 11.059 5.710 ( -3.129 -4.337 0.836) 5.413 5.838 ( 4.147 -6.234 5.530) 9.308 5.919 ( 4.112 -9.003 1.004) 9.948 6.226 ( -8.197 3.495 -8.042) 12.003 6.257 ( -9.682 0.128 -5.254) 11.016 6.501 ( -6.026 7.165 -3.199) 9.893 6.692 ( -2.781 -6.500 -7.714) 10.463 6.798 ( 7.393 1.394 3.921) 8.484 6.933 ( 2.538 -7.022 2.282) 7.807 7.190 ( -2.116 5.406 16.570) 17.557 7.307 ( 3.884 -3.778 14.633) 15.604 7.484 ( -2.949 3.807 -1.075) 4.934 7.549 ( 2.742 0.105 -2.203) 3.519 7.804 ( 11.052 -0.711 6.080) 12.634 7.897 ( 7.485 -9.168 5.223) 12.937 8.351 ( -0.160 1.529 -14.037) 14.121 8.387 ( 0.227 -1.937 -14.206) 14.340 8.899 ( -10.697 1.371 -6.709) 12.701 8.933 ( -9.326 -1.774 -5.794) 11.122 9.160 ( -20.320 7.128 -6.366) 22.455 9.271 ( -18.560 -3.748 -4.554) 19.474 9.673 ( 2.188 3.497 7.510) 8.569 9.744 ( 3.375 -3.342 2.918) 5.574 10.111 ( 2.241 3.421 -3.019) 5.084 10.141 ( 0.521 2.678 3.475) 4.418 10.252 ( 0.666 0.870 -3.153) 3.337 10.321 ( -1.341 -3.231 0.126) 3.501 10.778 ( 3.880 4.162 4.992) 7.570 10.868 ( 1.577 -4.538 1.930) 5.178 11.770 ( -1.455 13.963 20.223) 24.618 12.051 ( -3.357 -14.119 15.414) 21.171 12.163 ( 2.310 1.420 -11.642) 11.953 12.220 ( 2.643 -5.330 -8.926) 10.727 13.062 ( -1.222 7.349 3.389) 8.184 13.176 ( 0.909 3.709 -6.915) 7.899 13.257 ( 3.165 -1.242 1.596) 3.756 13.440 ( 2.855 -11.797 -9.218) 15.241 14.308 ( 0.636 5.965 -3.236) 6.817 14.428 ( 1.710 -5.329 -2.102) 5.978 14.562 ( -9.332 5.662 -5.632) 12.283 14.690 ( -9.277 -5.723 -4.198) 11.681 15.716 ( 4.569 4.990 4.629) 8.198 15.809 ( 5.976 -4.392 4.379) 8.612 15.877 ( 2.465 5.032 1.294) 5.751 15.985 ( 2.273 -5.595 -0.563) 6.066 16.935 ( 0.856 4.934 3.281) 5.986 17.001 ( 1.081 -1.334 0.034) 1.717 18.281 ( -2.296 0.438 -1.387) 2.718 18.303 ( -1.564 -1.525 -2.723) 3.491 18.740 ( -3.423 1.959 0.072) 3.945 18.769 ( -3.719 -1.004 -0.554) 3.892 19.186 ( 3.803 6.026 1.785) 7.346 19.300 ( 2.075 -5.110 -2.887) 6.225 20.134 ( -1.555 2.920 1.500) 3.632 20.190 ( -0.728 -2.571 -3.352) 4.287 22.223 ( -0.263 0.587 1.563) 1.690 22.255 ( -1.143 -2.369 0.741) 2.733 22.695 ( 0.806 5.936 -0.249) 5.995 22.718 ( 1.329 5.342 -2.753) 6.154 22.950 ( 3.025 -4.007 -1.536) 5.250 22.986 ( 2.142 -5.875 -2.196) 6.628 25.593 ( 1.700 1.795 0.721) 2.575 25.618 ( 1.162 -0.259 0.566) 1.318 25.800 ( 0.682 -0.267 -0.186) 0.756 25.806 ( -0.017 -0.884 0.856) 1.231 26.101 ( 0.760 1.034 -0.162) 1.294 26.144 ( -0.383 -3.203 0.084) 3.227 26.620 ( -1.246 0.595 1.477) 2.022 26.651 ( -2.389 -2.443 2.673) 4.338 27.033 ( -3.439 2.165 2.722) 4.891 27.067 ( -3.721 -1.171 0.667) 3.957 27.392 ( 0.266 3.641 -0.230) 3.658 27.435 ( 0.073 -0.719 -3.049) 3.134 =================== 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 3/30240 10.0 567.615 453.457 499.445 0.000 86.376 0.000 3/30240 20.0 158.224 119.077 149.534 0.000 31.930 0.000 3/30240 30.0 69.494 57.857 66.783 0.000 14.931 0.000 3/30240 40.0 40.558 36.966 38.921 0.000 8.728 0.000 3/30240 50.0 27.759 26.708 26.532 0.000 5.900 0.000 3/30240 60.0 20.931 20.765 19.950 0.000 4.398 0.000 3/30240 70.0 16.795 16.948 15.992 0.000 3.504 0.000 3/30240 80.0 14.047 14.306 13.383 0.000 2.922 0.000 3/30240 90.0 12.093 12.373 11.539 0.000 2.514 0.000 3/30240 100.0 10.628 10.899 10.165 0.000 2.210 0.000 3/30240 110.0 9.487 9.736 9.099 0.000 1.975 0.000 3/30240 120.0 8.571 8.796 8.244 0.000 1.785 0.000 3/30240 130.0 7.817 8.021 7.541 0.000 1.630 0.000 3/30240 140.0 7.186 7.370 6.952 0.000 1.499 0.000 3/30240 150.0 6.650 6.817 6.451 0.000 1.387 0.000 3/30240 160.0 6.189 6.341 6.018 0.000 1.291 0.000 3/30240 170.0 5.787 5.928 5.641 0.000 1.207 0.000 3/30240 180.0 5.435 5.565 5.309 0.000 1.133 0.000 3/30240 190.0 5.124 5.245 5.015 0.000 1.067 0.000 3/30240 200.0 4.846 4.960 4.752 0.000 1.009 0.000 3/30240 210.0 4.598 4.705 4.516 0.000 0.957 0.000 3/30240 220.0 4.374 4.476 4.302 0.000 0.909 0.000 3/30240 230.0 4.171 4.268 4.108 0.000 0.866 0.000 3/30240 240.0 3.986 4.079 3.931 0.000 0.827 0.000 3/30240 250.0 3.817 3.907 3.769 0.000 0.791 0.000 3/30240 260.0 3.663 3.748 3.620 0.000 0.759 0.000 3/30240 270.0 3.520 3.603 3.483 0.000 0.728 0.000 3/30240 280.0 3.389 3.469 3.356 0.000 0.700 0.000 3/30240 290.0 3.267 3.344 3.238 0.000 0.675 0.000 3/30240 300.0 3.154 3.229 3.128 0.000 0.651 0.000 3/30240 310.0 3.048 3.121 3.026 0.000 0.628 0.000 3/30240 320.0 2.950 3.021 2.930 0.000 0.607 0.000 3/30240 330.0 2.858 2.927 2.840 0.000 0.588 0.000 3/30240 340.0 2.771 2.839 2.755 0.000 0.569 0.000 3/30240 350.0 2.690 2.756 2.676 0.000 0.552 0.000 3/30240 360.0 2.613 2.678 2.601 0.000 0.536 0.000 3/30240 370.0 2.541 2.604 2.530 0.000 0.521 0.000 3/30240 380.0 2.473 2.534 2.463 0.000 0.506 0.000 3/30240 390.0 2.408 2.468 2.400 0.000 0.492 0.000 3/30240 400.0 2.347 2.406 2.340 0.000 0.480 0.000 3/30240 410.0 2.289 2.347 2.282 0.000 0.467 0.000 3/30240 420.0 2.233 2.290 2.228 0.000 0.456 0.000 3/30240 430.0 2.181 2.236 2.176 0.000 0.444 0.000 3/30240 440.0 2.130 2.185 2.126 0.000 0.434 0.000 3/30240 450.0 2.082 2.136 2.079 0.000 0.424 0.000 3/30240 460.0 2.037 2.090 2.034 0.000 0.414 0.000 3/30240 470.0 1.993 2.045 1.991 0.000 0.405 0.000 3/30240 480.0 1.951 2.002 1.949 0.000 0.396 0.000 3/30240 490.0 1.911 1.961 1.910 0.000 0.388 0.000 3/30240 500.0 1.872 1.922 1.871 0.000 0.380 0.000 3/30240 510.0 1.835 1.884 1.835 0.000 0.372 0.000 3/30240 520.0 1.800 1.848 1.800 0.000 0.365 0.000 3/30240 530.0 1.766 1.813 1.766 0.000 0.358 0.000 3/30240 540.0 1.733 1.779 1.733 0.000 0.351 0.000 3/30240 550.0 1.701 1.747 1.702 0.000 0.344 0.000 3/30240 560.0 1.671 1.715 1.671 0.000 0.338 0.000 3/30240 570.0 1.641 1.685 1.642 0.000 0.332 0.000 3/30240 580.0 1.613 1.656 1.614 0.000 0.326 0.000 3/30240 590.0 1.585 1.628 1.587 0.000 0.320 0.000 3/30240 600.0 1.559 1.601 1.560 0.000 0.315 0.000 3/30240 610.0 1.533 1.575 1.535 0.000 0.309 0.000 3/30240 620.0 1.508 1.550 1.510 0.000 0.304 0.000 3/30240 630.0 1.484 1.525 1.486 0.000 0.299 0.000 3/30240 640.0 1.461 1.501 1.463 0.000 0.294 0.000 3/30240 650.0 1.439 1.478 1.441 0.000 0.290 0.000 3/30240 660.0 1.417 1.456 1.419 0.000 0.285 0.000 3/30240 670.0 1.396 1.434 1.398 0.000 0.281 0.000 3/30240 680.0 1.375 1.413 1.377 0.000 0.277 0.000 3/30240 690.0 1.355 1.393 1.358 0.000 0.272 0.000 3/30240 700.0 1.336 1.373 1.338 0.000 0.269 0.000 3/30240 710.0 1.317 1.353 1.319 0.000 0.265 0.000 3/30240 720.0 1.299 1.335 1.301 0.000 0.261 0.000 3/30240 730.0 1.281 1.316 1.283 0.000 0.257 0.000 3/30240 740.0 1.263 1.299 1.266 0.000 0.254 0.000 3/30240 750.0 1.247 1.281 1.249 0.000 0.250 0.000 3/30240 760.0 1.230 1.265 1.233 0.000 0.247 0.000 3/30240 770.0 1.214 1.248 1.217 0.000 0.244 0.000 3/30240 780.0 1.199 1.232 1.202 0.000 0.240 0.000 3/30240 790.0 1.183 1.217 1.186 0.000 0.237 0.000 3/30240 800.0 1.169 1.202 1.172 0.000 0.234 0.000 3/30240 810.0 1.154 1.187 1.157 0.000 0.231 0.000 3/30240 820.0 1.140 1.172 1.143 0.000 0.228 0.000 3/30240 830.0 1.126 1.158 1.129 0.000 0.226 0.000 3/30240 840.0 1.113 1.145 1.116 0.000 0.223 0.000 3/30240 850.0 1.100 1.131 1.103 0.000 0.220 0.000 3/30240 860.0 1.087 1.118 1.090 0.000 0.218 0.000 3/30240 870.0 1.075 1.105 1.078 0.000 0.215 0.000 3/30240 880.0 1.062 1.093 1.065 0.000 0.213 0.000 3/30240 890.0 1.051 1.080 1.054 0.000 0.210 0.000 3/30240 900.0 1.039 1.068 1.042 0.000 0.208 0.000 3/30240 910.0 1.027 1.057 1.031 0.000 0.206 0.000 3/30240 920.0 1.016 1.045 1.019 0.000 0.203 0.000 3/30240 930.0 1.005 1.034 1.008 0.000 0.201 0.000 3/30240 940.0 0.995 1.023 0.998 0.000 0.199 0.000 3/30240 950.0 0.984 1.012 0.987 0.000 0.197 0.000 3/30240 960.0 0.974 1.002 0.977 0.000 0.195 0.000 3/30240 970.0 0.964 0.992 0.967 0.000 0.193 0.000 3/30240 980.0 0.954 0.981 0.957 0.000 0.191 0.000 3/30240 990.0 0.945 0.972 0.948 0.000 0.189 0.000 3/30240 1000.0 0.935 0.962 0.938 0.000 0.187 0.000 3/30240 Thermal conductivity related properties were written into "kappa-m759.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:57:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|