----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:54:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.447148960000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.936982499999999 0.000000000000000 c 0.000000000000000 0.000000000000000 15.543089400000003 Atomic positions (fractional): *1 O 0.55071452149377 0.48408046250645 0.22177933609995 15.999 2 O 0.05071452149377 0.01591953749355 0.77822066390005 15.999 3 O 0.44928547850623 0.98408046250645 0.27822066390005 15.999 4 O 0.94928547850623 0.51591953749355 0.72177933609995 15.999 5 O 0.44928547850623 0.51591953749355 0.77822066390005 15.999 6 O 0.94928547850623 0.98408046250645 0.22177933609995 15.999 7 O 0.55071452149377 0.01591953749355 0.72177933609995 15.999 8 O 0.05071452149377 0.48408046250645 0.27822066390005 15.999 *9 O 0.80243271281420 0.15794148827022 0.35027523389074 15.999 10 O 0.30243271281420 0.34205851172978 0.64972476610926 15.999 11 O 0.19756728718580 0.65794148827022 0.14972476610926 15.999 12 O 0.69756728718580 0.84205851172978 0.85027523389074 15.999 13 O 0.19756728718580 0.84205851172978 0.64972476610926 15.999 14 O 0.69756728718580 0.65794148827022 0.35027523389074 15.999 15 O 0.80243271281420 0.34205851172978 0.85027523389074 15.999 *16 O 0.57206919525783 0.28635909280763 0.01618883561220 15.999 *17 O 0.67570698796524 0.40361711861212 0.39495142063282 15.999 18 O 0.17570698796524 0.09638288138788 0.60504857936718 15.999 19 O 0.32429301203476 0.90361711861212 0.10504857936718 15.999 20 O 0.82429301203476 0.59638288138788 0.89495142063282 15.999 21 O 0.32429301203476 0.59638288138788 0.60504857936718 15.999 22 O 0.82429301203476 0.90361711861212 0.39495142063282 15.999 23 O 0.67570698796524 0.09638288138788 0.89495142063282 15.999 24 O 0.17570698796524 0.40361711861212 0.10504857936718 15.999 25 O 0.07206919525783 0.28635909280763 0.48381116438780 15.999 26 O 0.57206919525783 0.21364090719237 0.51618883561220 15.999 27 O 0.92793080474217 0.78635909280763 0.01618883561220 15.999 28 O 0.42793080474217 0.71364090719237 0.98381116438780 15.999 29 O 0.92793080474217 0.71364090719237 0.51618883561220 15.999 30 O 0.42793080474217 0.78635909280763 0.48381116438780 15.999 31 O 0.07206919525783 0.21364090719237 0.98381116438780 15.999 32 O 0.30243271281420 0.15794148827022 0.14972476610926 15.999 *33 Al 0.25588475403900 0.00793427230478 0.18853590276356 26.982 34 Al 0.75588475403900 0.49206572769522 0.81146409723644 26.982 35 Al 0.74411524596100 0.50793427230478 0.31146409723644 26.982 36 Al 0.24411524596100 0.99206572769522 0.68853590276356 26.982 37 Al 0.74411524596100 0.99206572769522 0.81146409723644 26.982 38 Al 0.24411524596100 0.50793427230478 0.18853590276356 26.982 39 Al 0.25588475403900 0.49206572769522 0.68853590276356 26.982 40 Al 0.75588475403900 0.00793427230478 0.31146409723644 26.982 *41 Al 0.28148637602358 0.26227727168199 0.06360274635981 26.982 42 Al 0.78148637602358 0.23772272831801 0.93639725364019 26.982 43 Al 0.71851362397642 0.76227727168199 0.43639725364019 26.982 44 Al 0.21851362397642 0.73772272831801 0.56360274635981 26.982 45 Al 0.71851362397642 0.73772272831801 0.93639725364019 26.982 46 Al 0.21851362397642 0.76227727168199 0.06360274635981 26.982 47 Al 0.28148637602358 0.23772272831801 0.56360274635981 26.982 48 Al 0.78148637602358 0.26227727168199 0.43639725364019 26.982 *49 K 0.75397489755436 0.00974810771495 0.06199305465871 39.098 50 K 0.25397489755436 0.49025189228505 0.93800694534129 39.098 51 K 0.24602510244564 0.50974810771495 0.43800694534129 39.098 52 K 0.74602510244564 0.99025189228505 0.56199305465871 39.098 53 K 0.24602510244564 0.99025189228505 0.93800694534129 39.098 54 K 0.74602510244564 0.50974810771495 0.06199305465871 39.098 55 K 0.75397489755436 0.49025189228505 0.56199305465871 39.098 56 K 0.25397489755436 0.00974810771495 0.43800694534129 39.098 *57 K 0.79725740656251 0.26173333417058 0.18517083008771 39.098 58 K 0.29725740656251 0.23826666582942 0.81482916991229 39.098 59 K 0.20274259343748 0.76173333417058 0.31482916991229 39.098 60 K 0.70274259343749 0.73826666582942 0.68517083008771 39.098 61 K 0.20274259343748 0.73826666582942 0.81482916991229 39.098 62 K 0.70274259343749 0.76173333417058 0.18517083008771 39.098 63 K 0.79725740656251 0.23826666582942 0.68517083008771 39.098 64 K 0.29725740656251 0.26173333417058 0.31482916991229 39.098 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.447148960000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.936982499999999 0.000000000000000 c 0.000000000000000 0.000000000000000 15.543089400000003 Atomic positions (fractional): *1 O 0.55071452149377 0.48408046250645 0.22177933609995 15.999 > 1 2 O 0.05071452149377 0.01591953749355 0.77822066390005 15.999 > 2 3 O 0.44928547850623 0.98408046250645 0.27822066390005 15.999 > 3 4 O 0.94928547850623 0.51591953749355 0.72177933609995 15.999 > 4 5 O 0.44928547850623 0.51591953749355 0.77822066390005 15.999 > 5 6 O 0.94928547850623 0.98408046250645 0.22177933609995 15.999 > 6 7 O 0.55071452149377 0.01591953749355 0.72177933609995 15.999 > 7 8 O 0.05071452149377 0.48408046250645 0.27822066390005 15.999 > 8 *9 O 0.80243271281420 0.15794148827022 0.35027523389074 15.999 > 9 10 O 0.30243271281420 0.34205851172978 0.64972476610926 15.999 > 10 11 O 0.19756728718580 0.65794148827022 0.14972476610926 15.999 > 11 12 O 0.69756728718580 0.84205851172978 0.85027523389074 15.999 > 12 13 O 0.19756728718580 0.84205851172978 0.64972476610926 15.999 > 13 14 O 0.69756728718580 0.65794148827022 0.35027523389074 15.999 > 14 15 O 0.80243271281420 0.34205851172978 0.85027523389074 15.999 > 15 *16 O 0.57206919525783 0.28635909280763 0.01618883561220 15.999 > 16 *17 O 0.67570698796524 0.40361711861212 0.39495142063282 15.999 > 17 18 O 0.17570698796524 0.09638288138788 0.60504857936718 15.999 > 18 19 O 0.32429301203476 0.90361711861212 0.10504857936718 15.999 > 19 20 O 0.82429301203476 0.59638288138788 0.89495142063282 15.999 > 20 21 O 0.32429301203476 0.59638288138788 0.60504857936718 15.999 > 21 22 O 0.82429301203476 0.90361711861212 0.39495142063282 15.999 > 22 23 O 0.67570698796524 0.09638288138788 0.89495142063282 15.999 > 23 24 O 0.17570698796524 0.40361711861212 0.10504857936718 15.999 > 24 25 O 0.07206919525783 0.28635909280763 0.48381116438780 15.999 > 25 26 O 0.57206919525783 0.21364090719237 0.51618883561220 15.999 > 26 27 O 0.92793080474217 0.78635909280763 0.01618883561220 15.999 > 27 28 O 0.42793080474217 0.71364090719237 0.98381116438780 15.999 > 28 29 O 0.92793080474217 0.71364090719237 0.51618883561220 15.999 > 29 30 O 0.42793080474217 0.78635909280763 0.48381116438780 15.999 > 30 31 O 0.07206919525783 0.21364090719237 0.98381116438780 15.999 > 31 32 O 0.30243271281420 0.15794148827022 0.14972476610926 15.999 > 32 *33 Al 0.25588475403900 0.00793427230478 0.18853590276356 26.982 > 33 34 Al 0.75588475403900 0.49206572769522 0.81146409723644 26.982 > 34 35 Al 0.74411524596100 0.50793427230478 0.31146409723644 26.982 > 35 36 Al 0.24411524596100 0.99206572769522 0.68853590276356 26.982 > 36 37 Al 0.74411524596100 0.99206572769522 0.81146409723644 26.982 > 37 38 Al 0.24411524596100 0.50793427230478 0.18853590276356 26.982 > 38 39 Al 0.25588475403900 0.49206572769522 0.68853590276356 26.982 > 39 40 Al 0.75588475403900 0.00793427230478 0.31146409723644 26.982 > 40 *41 Al 0.28148637602358 0.26227727168199 0.06360274635981 26.982 > 41 42 Al 0.78148637602358 0.23772272831801 0.93639725364019 26.982 > 42 43 Al 0.71851362397642 0.76227727168199 0.43639725364019 26.982 > 43 44 Al 0.21851362397642 0.73772272831801 0.56360274635981 26.982 > 44 45 Al 0.71851362397642 0.73772272831801 0.93639725364019 26.982 > 45 46 Al 0.21851362397642 0.76227727168199 0.06360274635981 26.982 > 46 47 Al 0.28148637602358 0.23772272831801 0.56360274635981 26.982 > 47 48 Al 0.78148637602358 0.26227727168199 0.43639725364019 26.982 > 48 *49 K 0.75397489755436 0.00974810771495 0.06199305465871 39.098 > 49 50 K 0.25397489755436 0.49025189228505 0.93800694534129 39.098 > 50 51 K 0.24602510244564 0.50974810771495 0.43800694534129 39.098 > 51 52 K 0.74602510244564 0.99025189228505 0.56199305465871 39.098 > 52 53 K 0.24602510244564 0.99025189228505 0.93800694534129 39.098 > 53 54 K 0.74602510244564 0.50974810771495 0.06199305465871 39.098 > 54 55 K 0.75397489755436 0.49025189228505 0.56199305465871 39.098 > 55 56 K 0.25397489755436 0.00974810771495 0.43800694534129 39.098 > 56 *57 K 0.79725740656251 0.26173333417058 0.18517083008771 39.098 > 57 58 K 0.29725740656251 0.23826666582942 0.81482916991229 39.098 > 58 59 K 0.20274259343748 0.76173333417058 0.31482916991229 39.098 > 59 60 K 0.70274259343749 0.73826666582942 0.68517083008771 39.098 > 60 61 K 0.20274259343748 0.73826666582942 0.81482916991229 39.098 > 61 62 K 0.70274259343749 0.76173333417058 0.18517083008771 39.098 > 62 63 K 0.79725740656251 0.23826666582942 0.68517083008771 39.098 > 63 64 K 0.29725740656251 0.26173333417058 0.31482916991229 39.098 > 64 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.894297920000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.936982499999999 0.000000000000000 c 0.000000000000000 0.000000000000000 15.543089400000003 Atomic positions (fractional): *1 O 0.27535726074689 0.48408046250645 0.22177933609995 15.999 > 1 2 O 0.77535726074689 0.48408046250645 0.22177933609995 15.999 > 1 3 O 0.02535726074689 0.01591953749355 0.77822066390005 15.999 > 2 4 O 0.52535726074689 0.01591953749355 0.77822066390005 15.999 > 2 5 O 0.22464273925311 0.98408046250645 0.27822066390005 15.999 > 3 6 O 0.72464273925311 0.98408046250645 0.27822066390005 15.999 > 3 7 O 0.47464273925311 0.51591953749355 0.72177933609995 15.999 > 4 8 O 0.97464273925311 0.51591953749355 0.72177933609995 15.999 > 4 9 O 0.22464273925311 0.51591953749355 0.77822066390005 15.999 > 5 10 O 0.72464273925311 0.51591953749355 0.77822066390005 15.999 > 5 11 O 0.47464273925311 0.98408046250645 0.22177933609995 15.999 > 6 12 O 0.97464273925311 0.98408046250645 0.22177933609995 15.999 > 6 13 O 0.27535726074689 0.01591953749355 0.72177933609995 15.999 > 7 14 O 0.77535726074689 0.01591953749355 0.72177933609995 15.999 > 7 15 O 0.02535726074689 0.48408046250645 0.27822066390005 15.999 > 8 16 O 0.52535726074689 0.48408046250645 0.27822066390005 15.999 > 8 *17 O 0.40121635640710 0.15794148827022 0.35027523389074 15.999 > 9 18 O 0.90121635640710 0.15794148827022 0.35027523389074 15.999 > 9 19 O 0.15121635640710 0.34205851172978 0.64972476610926 15.999 > 10 20 O 0.65121635640710 0.34205851172978 0.64972476610926 15.999 > 10 21 O 0.09878364359290 0.65794148827022 0.14972476610926 15.999 > 11 22 O 0.59878364359290 0.65794148827022 0.14972476610926 15.999 > 11 23 O 0.34878364359290 0.84205851172978 0.85027523389074 15.999 > 12 24 O 0.84878364359290 0.84205851172978 0.85027523389074 15.999 > 12 25 O 0.09878364359290 0.84205851172978 0.64972476610926 15.999 > 13 26 O 0.59878364359290 0.84205851172978 0.64972476610926 15.999 > 13 27 O 0.34878364359290 0.65794148827022 0.35027523389074 15.999 > 14 28 O 0.84878364359290 0.65794148827022 0.35027523389074 15.999 > 14 29 O 0.40121635640710 0.34205851172978 0.85027523389074 15.999 > 15 30 O 0.90121635640710 0.34205851172978 0.85027523389074 15.999 > 15 *31 O 0.28603459762891 0.28635909280763 0.01618883561220 15.999 > 16 32 O 0.78603459762891 0.28635909280763 0.01618883561220 15.999 > 16 *33 O 0.33785349398262 0.40361711861212 0.39495142063282 15.999 > 17 34 O 0.83785349398262 0.40361711861212 0.39495142063282 15.999 > 17 35 O 0.08785349398262 0.09638288138788 0.60504857936718 15.999 > 18 36 O 0.58785349398262 0.09638288138788 0.60504857936718 15.999 > 18 37 O 0.16214650601738 0.90361711861212 0.10504857936718 15.999 > 19 38 O 0.66214650601738 0.90361711861212 0.10504857936718 15.999 > 19 39 O 0.41214650601738 0.59638288138788 0.89495142063282 15.999 > 20 40 O 0.91214650601738 0.59638288138788 0.89495142063282 15.999 > 20 41 O 0.16214650601738 0.59638288138788 0.60504857936718 15.999 > 21 42 O 0.66214650601738 0.59638288138788 0.60504857936718 15.999 > 21 43 O 0.41214650601738 0.90361711861212 0.39495142063282 15.999 > 22 44 O 0.91214650601738 0.90361711861212 0.39495142063282 15.999 > 22 45 O 0.33785349398262 0.09638288138788 0.89495142063282 15.999 > 23 46 O 0.83785349398262 0.09638288138788 0.89495142063282 15.999 > 23 47 O 0.08785349398262 0.40361711861212 0.10504857936718 15.999 > 24 48 O 0.58785349398262 0.40361711861212 0.10504857936718 15.999 > 24 49 O 0.03603459762891 0.28635909280763 0.48381116438780 15.999 > 25 50 O 0.53603459762891 0.28635909280763 0.48381116438780 15.999 > 25 51 O 0.28603459762891 0.21364090719237 0.51618883561220 15.999 > 26 52 O 0.78603459762891 0.21364090719237 0.51618883561220 15.999 > 26 53 O 0.46396540237109 0.78635909280763 0.01618883561220 15.999 > 27 54 O 0.96396540237109 0.78635909280763 0.01618883561220 15.999 > 27 55 O 0.21396540237109 0.71364090719237 0.98381116438780 15.999 > 28 56 O 0.71396540237109 0.71364090719237 0.98381116438780 15.999 > 28 57 O 0.46396540237109 0.71364090719237 0.51618883561220 15.999 > 29 58 O 0.96396540237109 0.71364090719237 0.51618883561220 15.999 > 29 59 O 0.21396540237109 0.78635909280763 0.48381116438780 15.999 > 30 60 O 0.71396540237109 0.78635909280763 0.48381116438780 15.999 > 30 61 O 0.03603459762891 0.21364090719237 0.98381116438780 15.999 > 31 62 O 0.53603459762891 0.21364090719237 0.98381116438780 15.999 > 31 63 O 0.15121635640710 0.15794148827022 0.14972476610926 15.999 > 32 64 O 0.65121635640710 0.15794148827022 0.14972476610926 15.999 > 32 *65 Al 0.12794237701950 0.00793427230478 0.18853590276356 26.982 > 33 66 Al 0.62794237701950 0.00793427230478 0.18853590276356 26.982 > 33 67 Al 0.37794237701950 0.49206572769522 0.81146409723644 26.982 > 34 68 Al 0.87794237701950 0.49206572769522 0.81146409723644 26.982 > 34 69 Al 0.37205762298050 0.50793427230478 0.31146409723644 26.982 > 35 70 Al 0.87205762298050 0.50793427230478 0.31146409723644 26.982 > 35 71 Al 0.12205762298050 0.99206572769522 0.68853590276356 26.982 > 36 72 Al 0.62205762298050 0.99206572769522 0.68853590276356 26.982 > 36 73 Al 0.37205762298050 0.99206572769522 0.81146409723644 26.982 > 37 74 Al 0.87205762298050 0.99206572769522 0.81146409723644 26.982 > 37 75 Al 0.12205762298050 0.50793427230478 0.18853590276356 26.982 > 38 76 Al 0.62205762298050 0.50793427230478 0.18853590276356 26.982 > 38 77 Al 0.12794237701950 0.49206572769522 0.68853590276356 26.982 > 39 78 Al 0.62794237701950 0.49206572769522 0.68853590276356 26.982 > 39 79 Al 0.37794237701950 0.00793427230478 0.31146409723644 26.982 > 40 80 Al 0.87794237701950 0.00793427230478 0.31146409723644 26.982 > 40 *81 Al 0.14074318801179 0.26227727168199 0.06360274635981 26.982 > 41 82 Al 0.64074318801179 0.26227727168199 0.06360274635981 26.982 > 41 83 Al 0.39074318801179 0.23772272831801 0.93639725364019 26.982 > 42 84 Al 0.89074318801179 0.23772272831801 0.93639725364019 26.982 > 42 85 Al 0.35925681198821 0.76227727168199 0.43639725364019 26.982 > 43 86 Al 0.85925681198821 0.76227727168199 0.43639725364019 26.982 > 43 87 Al 0.10925681198821 0.73772272831801 0.56360274635981 26.982 > 44 88 Al 0.60925681198821 0.73772272831801 0.56360274635981 26.982 > 44 89 Al 0.35925681198821 0.73772272831801 0.93639725364019 26.982 > 45 90 Al 0.85925681198821 0.73772272831801 0.93639725364019 26.982 > 45 91 Al 0.10925681198821 0.76227727168199 0.06360274635981 26.982 > 46 92 Al 0.60925681198821 0.76227727168199 0.06360274635981 26.982 > 46 93 Al 0.14074318801179 0.23772272831801 0.56360274635981 26.982 > 47 94 Al 0.64074318801179 0.23772272831801 0.56360274635981 26.982 > 47 95 Al 0.39074318801179 0.26227727168199 0.43639725364019 26.982 > 48 96 Al 0.89074318801179 0.26227727168199 0.43639725364019 26.982 > 48 *97 K 0.37698744877718 0.00974810771495 0.06199305465871 39.098 > 49 98 K 0.87698744877718 0.00974810771495 0.06199305465871 39.098 > 49 99 K 0.12698744877718 0.49025189228505 0.93800694534129 39.098 > 50 100 K 0.62698744877718 0.49025189228505 0.93800694534129 39.098 > 50 101 K 0.12301255122282 0.50974810771495 0.43800694534129 39.098 > 51 102 K 0.62301255122282 0.50974810771495 0.43800694534129 39.098 > 51 103 K 0.37301255122282 0.99025189228505 0.56199305465871 39.098 > 52 104 K 0.87301255122282 0.99025189228505 0.56199305465871 39.098 > 52 105 K 0.12301255122282 0.99025189228505 0.93800694534129 39.098 > 53 106 K 0.62301255122282 0.99025189228505 0.93800694534129 39.098 > 53 107 K 0.37301255122282 0.50974810771495 0.06199305465871 39.098 > 54 108 K 0.87301255122282 0.50974810771495 0.06199305465871 39.098 > 54 109 K 0.37698744877718 0.49025189228505 0.56199305465871 39.098 > 55 110 K 0.87698744877718 0.49025189228505 0.56199305465871 39.098 > 55 111 K 0.12698744877718 0.00974810771495 0.43800694534129 39.098 > 56 112 K 0.62698744877718 0.00974810771495 0.43800694534129 39.098 > 56 *113 K 0.39862870328126 0.26173333417058 0.18517083008771 39.098 > 57 114 K 0.89862870328126 0.26173333417058 0.18517083008771 39.098 > 57 115 K 0.14862870328126 0.23826666582942 0.81482916991229 39.098 > 58 116 K 0.64862870328126 0.23826666582942 0.81482916991229 39.098 > 58 117 K 0.10137129671874 0.76173333417058 0.31482916991229 39.098 > 59 118 K 0.60137129671874 0.76173333417058 0.31482916991229 39.098 > 59 119 K 0.35137129671874 0.73826666582942 0.68517083008771 39.098 > 60 120 K 0.85137129671874 0.73826666582942 0.68517083008771 39.098 > 60 121 K 0.10137129671874 0.73826666582942 0.81482916991229 39.098 > 61 122 K 0.60137129671874 0.73826666582942 0.81482916991229 39.098 > 61 123 K 0.35137129671874 0.76173333417058 0.18517083008771 39.098 > 62 124 K 0.85137129671874 0.76173333417058 0.18517083008771 39.098 > 62 125 K 0.39862870328126 0.23826666582942 0.68517083008771 39.098 > 63 126 K 0.89862870328126 0.23826666582942 0.68517083008771 39.098 > 63 127 K 0.14862870328126 0.26173333417058 0.31482916991229 39.098 > 64 128 K 0.64862870328126 0.26173333417058 0.31482916991229 39.098 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7505650 0.0000000 0.0000000 0.0000000 2.7498744 0.0000000 0.0000000 0.0000000 2.7535066 -------------------------- Born effective charges -------------------------- 1 O -2.1428035 0.0388446 -0.4367414 0.0218857 -1.4430955 -0.0259352 -0.4266157 -0.0236302 -1.8393384 2 O -2.1428035 -0.0388446 0.4367414 -0.0218857 -1.4430955 -0.0259352 0.4266157 -0.0236302 -1.8393384 3 O -2.1428035 -0.0388446 -0.4367414 -0.0218857 -1.4430955 0.0259352 -0.4266157 0.0236302 -1.8393384 4 O -2.1428035 0.0388446 0.4367414 0.0218857 -1.4430955 0.0259352 0.4266157 0.0236302 -1.8393384 5 O -2.1428035 0.0388446 -0.4367414 0.0218857 -1.4430955 -0.0259352 -0.4266157 -0.0236302 -1.8393384 6 O -2.1428035 -0.0388446 0.4367414 -0.0218857 -1.4430955 -0.0259352 0.4266157 -0.0236302 -1.8393384 7 O -2.1428035 -0.0388446 -0.4367414 -0.0218857 -1.4430955 0.0259352 -0.4266157 0.0236302 -1.8393384 8 O -2.1428035 0.0388446 0.4367414 0.0218857 -1.4430955 0.0259352 0.4266157 0.0236302 -1.8393384 9 O -1.4410817 -0.0440668 0.0038041 -0.0262479 -2.1795573 -0.4780293 -0.0201069 -0.4823040 -1.8260418 10 O -1.4410817 0.0440668 -0.0038041 0.0262479 -2.1795573 -0.4780293 0.0201069 -0.4823040 -1.8260418 11 O -1.4410817 0.0440668 0.0038041 0.0262479 -2.1795573 0.4780293 -0.0201069 0.4823040 -1.8260418 12 O -1.4410817 -0.0440668 -0.0038041 -0.0262479 -2.1795573 0.4780293 0.0201069 0.4823040 -1.8260418 13 O -1.4410817 -0.0440668 0.0038041 -0.0262479 -2.1795573 -0.4780293 -0.0201069 -0.4823040 -1.8260418 14 O -1.4410817 0.0440668 -0.0038041 0.0262479 -2.1795573 -0.4780293 0.0201069 -0.4823040 -1.8260418 15 O -1.4410817 0.0440668 0.0038041 0.0262479 -2.1795573 0.4780293 -0.0201069 0.4823040 -1.8260418 16 O -2.1334472 0.0577554 0.4753161 0.0504564 -1.4957425 -0.0910399 0.4775077 -0.0914976 -1.8121229 17 O -1.5135336 0.0664033 -0.0075924 0.0786736 -2.1029097 0.4589980 -0.0042283 0.4348366 -1.8187406 18 O -1.5135336 -0.0664033 0.0075924 -0.0786736 -2.1029097 0.4589980 0.0042283 0.4348366 -1.8187406 19 O -1.5135336 -0.0664033 -0.0075924 -0.0786736 -2.1029097 -0.4589980 -0.0042283 -0.4348366 -1.8187406 20 O -1.5135336 0.0664033 0.0075924 0.0786736 -2.1029097 -0.4589980 0.0042283 -0.4348366 -1.8187406 21 O -1.5135336 0.0664033 -0.0075924 0.0786736 -2.1029097 0.4589980 -0.0042283 0.4348366 -1.8187406 22 O -1.5135336 -0.0664033 0.0075924 -0.0786736 -2.1029097 0.4589980 0.0042283 0.4348366 -1.8187406 23 O -1.5135336 -0.0664033 -0.0075924 -0.0786736 -2.1029097 -0.4589980 -0.0042283 -0.4348366 -1.8187406 24 O -1.5135336 0.0664033 0.0075924 0.0786736 -2.1029097 -0.4589980 0.0042283 -0.4348366 -1.8187406 25 O -2.1334472 0.0577554 -0.4753161 0.0504564 -1.4957425 0.0910399 -0.4775077 0.0914976 -1.8121229 26 O -2.1334472 -0.0577554 0.4753161 -0.0504564 -1.4957425 0.0910399 0.4775077 0.0914976 -1.8121229 27 O -2.1334472 -0.0577554 -0.4753161 -0.0504564 -1.4957425 -0.0910399 -0.4775077 -0.0914976 -1.8121229 28 O -2.1334472 0.0577554 0.4753161 0.0504564 -1.4957425 -0.0910399 0.4775077 -0.0914976 -1.8121229 29 O -2.1334472 0.0577554 -0.4753161 0.0504564 -1.4957425 0.0910399 -0.4775077 0.0914976 -1.8121229 30 O -2.1334472 -0.0577554 0.4753161 -0.0504564 -1.4957425 0.0910399 0.4775077 0.0914976 -1.8121229 31 O -2.1334472 -0.0577554 -0.4753161 -0.0504564 -1.4957425 -0.0910399 -0.4775077 -0.0914976 -1.8121229 32 O -1.4410817 -0.0440668 -0.0038041 -0.0262479 -2.1795573 0.4780293 0.0201069 0.4823040 -1.8260418 33 Al 2.4161910 0.0475204 0.0699764 0.0294808 2.4256016 0.0581148 -0.0817008 -0.0779324 2.4371810 34 Al 2.4161910 -0.0475204 -0.0699764 -0.0294808 2.4256016 0.0581148 0.0817008 -0.0779324 2.4371810 35 Al 2.4161910 -0.0475204 0.0699764 -0.0294808 2.4256016 -0.0581148 -0.0817008 0.0779324 2.4371810 36 Al 2.4161910 0.0475204 -0.0699764 0.0294808 2.4256016 -0.0581148 0.0817008 0.0779324 2.4371810 37 Al 2.4161910 0.0475204 0.0699764 0.0294808 2.4256016 0.0581148 -0.0817008 -0.0779324 2.4371810 38 Al 2.4161910 -0.0475204 -0.0699764 -0.0294808 2.4256016 0.0581148 0.0817008 -0.0779324 2.4371810 39 Al 2.4161910 -0.0475204 0.0699764 -0.0294808 2.4256016 -0.0581148 -0.0817008 0.0779324 2.4371810 40 Al 2.4161910 0.0475204 -0.0699764 0.0294808 2.4256016 -0.0581148 0.0817008 0.0779324 2.4371810 41 Al 2.4401184 0.0671986 0.0349566 -0.0647376 2.4172677 -0.0293975 -0.0740489 0.0514730 2.4712737 42 Al 2.4401184 -0.0671986 -0.0349566 0.0647376 2.4172677 -0.0293975 0.0740489 0.0514730 2.4712737 43 Al 2.4401184 -0.0671986 0.0349566 0.0647376 2.4172677 0.0293975 -0.0740489 -0.0514730 2.4712737 44 Al 2.4401184 0.0671986 -0.0349566 -0.0647376 2.4172677 0.0293975 0.0740489 -0.0514730 2.4712737 45 Al 2.4401184 0.0671986 0.0349566 -0.0647376 2.4172677 -0.0293975 -0.0740489 0.0514730 2.4712737 46 Al 2.4401184 -0.0671986 -0.0349566 0.0647376 2.4172677 -0.0293975 0.0740489 0.0514730 2.4712737 47 Al 2.4401184 -0.0671986 0.0349566 0.0647376 2.4172677 0.0293975 -0.0740489 -0.0514730 2.4712737 48 Al 2.4401184 0.0671986 -0.0349566 -0.0647376 2.4172677 0.0293975 0.0740489 -0.0514730 2.4712737 49 K 1.1881769 -0.0158146 -0.0060460 -0.0140903 1.1887775 -0.0326823 0.0059839 -0.0398524 1.1947852 50 K 1.1881769 0.0158146 0.0060460 0.0140903 1.1887775 -0.0326823 -0.0059839 -0.0398524 1.1947852 51 K 1.1881769 0.0158146 -0.0060460 0.0140903 1.1887775 0.0326823 0.0059839 0.0398524 1.1947852 52 K 1.1881769 -0.0158146 0.0060460 -0.0140903 1.1887775 0.0326823 -0.0059839 0.0398524 1.1947852 53 K 1.1881769 -0.0158146 -0.0060460 -0.0140903 1.1887775 -0.0326823 0.0059839 -0.0398524 1.1947852 54 K 1.1881769 0.0158146 0.0060460 0.0140903 1.1887775 -0.0326823 -0.0059839 -0.0398524 1.1947852 55 K 1.1881769 0.0158146 -0.0060460 0.0140903 1.1887775 0.0326823 0.0059839 0.0398524 1.1947852 56 K 1.1881769 -0.0158146 0.0060460 -0.0140903 1.1887775 0.0326823 -0.0059839 0.0398524 1.1947852 57 K 1.1863796 -0.0049435 -0.0022253 0.0020040 1.1896582 -0.0225815 -0.0024834 -0.0341120 1.1930039 58 K 1.1863796 0.0049435 0.0022253 -0.0020040 1.1896582 -0.0225815 0.0024834 -0.0341120 1.1930039 59 K 1.1863796 0.0049435 -0.0022253 -0.0020040 1.1896582 0.0225815 -0.0024834 0.0341120 1.1930039 60 K 1.1863796 -0.0049435 0.0022253 0.0020040 1.1896582 0.0225815 0.0024834 0.0341120 1.1930039 61 K 1.1863796 -0.0049435 -0.0022253 0.0020040 1.1896582 -0.0225815 -0.0024834 -0.0341120 1.1930039 62 K 1.1863796 0.0049435 0.0022253 -0.0020040 1.1896582 -0.0225815 0.0024834 -0.0341120 1.1930039 63 K 1.1863796 0.0049435 -0.0022253 -0.0020040 1.1896582 0.0225815 -0.0024834 0.0341120 1.1930039 64 K 1.1863796 -0.0049435 0.0022253 0.0020040 1.1896582 0.0225815 0.0024834 0.0341120 1.1930039 ---------------------------------------------------------------------------- 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: 37056/37056 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) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 240 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 240 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 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) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 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) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 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) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 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, 4680), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 10), data: (524, 26) @ (26, 10) |-- (274, 258), data: True |-- (250, 240), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 10), data: (524, 26) @ (26, 10) |-- (274, 258), data: True |-- (250, 240), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 960 - Time: 1.292 Solver_block: 200 / 960 - Time: 1.128 Solver_block: 300 / 960 - Time: 1.130 Solver_block: 400 / 960 - Time: 1.131 Solver_block: 500 / 960 - Time: 1.109 Solver_block: 600 / 960 - Time: 1.122 Solver_block: 700 / 960 - Time: 1.115 Solver_block: 800 / 960 - Time: 1.111 Solver_block: 900 / 960 - Time: 1.116 Solver_block: 960 / 960 - Time: 0.764 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 11.351 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 37056/37056 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) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 240 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 240 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 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) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 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) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 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) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 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, 4680), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 10), data: (524, 26) @ (26, 10) |-- (274, 258), data: True |-- (250, 240), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 10), data: (524, 26) @ (26, 10) |-- (274, 258), data: True |-- (250, 240), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:55:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:55:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.447148960000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.936982499999999 0.000000000000000 c 0.000000000000000 0.000000000000000 15.543089400000003 Atomic positions (fractional): 1 O 0.55071452149377 0.48408046250645 0.22177933609995 15.999 2 O 0.05071452149377 0.01591953749355 0.77822066390005 15.999 3 O 0.44928547850623 0.98408046250645 0.27822066390005 15.999 4 O 0.94928547850623 0.51591953749355 0.72177933609995 15.999 5 O 0.44928547850623 0.51591953749355 0.77822066390005 15.999 6 O 0.94928547850623 0.98408046250645 0.22177933609995 15.999 7 O 0.55071452149377 0.01591953749355 0.72177933609995 15.999 8 O 0.05071452149377 0.48408046250645 0.27822066390005 15.999 9 O 0.80243271281420 0.15794148827022 0.35027523389074 15.999 10 O 0.30243271281420 0.34205851172978 0.64972476610926 15.999 11 O 0.19756728718580 0.65794148827022 0.14972476610926 15.999 12 O 0.69756728718580 0.84205851172978 0.85027523389074 15.999 13 O 0.19756728718580 0.84205851172978 0.64972476610926 15.999 14 O 0.69756728718580 0.65794148827022 0.35027523389074 15.999 15 O 0.80243271281420 0.34205851172978 0.85027523389074 15.999 16 O 0.57206919525783 0.28635909280763 0.01618883561220 15.999 17 O 0.67570698796524 0.40361711861212 0.39495142063282 15.999 18 O 0.17570698796524 0.09638288138788 0.60504857936718 15.999 19 O 0.32429301203476 0.90361711861212 0.10504857936718 15.999 20 O 0.82429301203476 0.59638288138788 0.89495142063282 15.999 21 O 0.32429301203476 0.59638288138788 0.60504857936718 15.999 22 O 0.82429301203476 0.90361711861212 0.39495142063282 15.999 23 O 0.67570698796524 0.09638288138788 0.89495142063282 15.999 24 O 0.17570698796524 0.40361711861212 0.10504857936718 15.999 25 O 0.07206919525783 0.28635909280763 0.48381116438780 15.999 26 O 0.57206919525783 0.21364090719237 0.51618883561220 15.999 27 O 0.92793080474217 0.78635909280763 0.01618883561220 15.999 28 O 0.42793080474217 0.71364090719237 0.98381116438780 15.999 29 O 0.92793080474217 0.71364090719237 0.51618883561220 15.999 30 O 0.42793080474217 0.78635909280763 0.48381116438780 15.999 31 O 0.07206919525783 0.21364090719237 0.98381116438780 15.999 32 O 0.30243271281420 0.15794148827022 0.14972476610926 15.999 33 Al 0.25588475403900 0.00793427230478 0.18853590276356 26.982 34 Al 0.75588475403900 0.49206572769522 0.81146409723644 26.982 35 Al 0.74411524596100 0.50793427230478 0.31146409723644 26.982 36 Al 0.24411524596100 0.99206572769522 0.68853590276356 26.982 37 Al 0.74411524596100 0.99206572769522 0.81146409723644 26.982 38 Al 0.24411524596100 0.50793427230478 0.18853590276356 26.982 39 Al 0.25588475403900 0.49206572769522 0.68853590276356 26.982 40 Al 0.75588475403900 0.00793427230478 0.31146409723644 26.982 41 Al 0.28148637602358 0.26227727168199 0.06360274635981 26.982 42 Al 0.78148637602358 0.23772272831801 0.93639725364019 26.982 43 Al 0.71851362397642 0.76227727168199 0.43639725364019 26.982 44 Al 0.21851362397642 0.73772272831801 0.56360274635981 26.982 45 Al 0.71851362397642 0.73772272831801 0.93639725364019 26.982 46 Al 0.21851362397642 0.76227727168199 0.06360274635981 26.982 47 Al 0.28148637602358 0.23772272831801 0.56360274635981 26.982 48 Al 0.78148637602358 0.26227727168199 0.43639725364019 26.982 49 K 0.75397489755436 0.00974810771495 0.06199305465871 39.098 50 K 0.25397489755436 0.49025189228505 0.93800694534129 39.098 51 K 0.24602510244564 0.50974810771495 0.43800694534129 39.098 52 K 0.74602510244564 0.99025189228505 0.56199305465871 39.098 53 K 0.24602510244564 0.99025189228505 0.93800694534129 39.098 54 K 0.74602510244564 0.50974810771495 0.06199305465871 39.098 55 K 0.75397489755436 0.49025189228505 0.56199305465871 39.098 56 K 0.25397489755436 0.00974810771495 0.43800694534129 39.098 57 K 0.79725740656251 0.26173333417058 0.18517083008771 39.098 58 K 0.29725740656251 0.23826666582942 0.81482916991229 39.098 59 K 0.20274259343748 0.76173333417058 0.31482916991229 39.098 60 K 0.70274259343749 0.73826666582942 0.68517083008771 39.098 61 K 0.20274259343748 0.73826666582942 0.81482916991229 39.098 62 K 0.70274259343749 0.76173333417058 0.18517083008771 39.098 63 K 0.79725740656251 0.23826666582942 0.68517083008771 39.098 64 K 0.29725740656251 0.26173333417058 0.31482916991229 39.098 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.894297920000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.936982499999999 0.000000000000000 c 0.000000000000000 0.000000000000000 15.543089400000003 Atomic positions (fractional): 1 O 0.27535726074689 0.48408046250645 0.22177933609995 15.999 > 1 2 O 0.77535726074689 0.48408046250645 0.22177933609995 15.999 > 1 3 O 0.02535726074689 0.01591953749355 0.77822066390005 15.999 > 3 4 O 0.52535726074689 0.01591953749355 0.77822066390005 15.999 > 3 5 O 0.22464273925311 0.98408046250645 0.27822066390005 15.999 > 5 6 O 0.72464273925311 0.98408046250645 0.27822066390005 15.999 > 5 7 O 0.47464273925311 0.51591953749355 0.72177933609995 15.999 > 7 8 O 0.97464273925311 0.51591953749355 0.72177933609995 15.999 > 7 9 O 0.22464273925311 0.51591953749355 0.77822066390005 15.999 > 9 10 O 0.72464273925311 0.51591953749355 0.77822066390005 15.999 > 9 11 O 0.47464273925311 0.98408046250645 0.22177933609995 15.999 > 11 12 O 0.97464273925311 0.98408046250645 0.22177933609995 15.999 > 11 13 O 0.27535726074689 0.01591953749355 0.72177933609995 15.999 > 13 14 O 0.77535726074689 0.01591953749355 0.72177933609995 15.999 > 13 15 O 0.02535726074689 0.48408046250645 0.27822066390005 15.999 > 15 16 O 0.52535726074689 0.48408046250645 0.27822066390005 15.999 > 15 17 O 0.40121635640710 0.15794148827022 0.35027523389074 15.999 > 17 18 O 0.90121635640710 0.15794148827022 0.35027523389074 15.999 > 17 19 O 0.15121635640710 0.34205851172978 0.64972476610926 15.999 > 19 20 O 0.65121635640710 0.34205851172978 0.64972476610926 15.999 > 19 21 O 0.09878364359290 0.65794148827022 0.14972476610926 15.999 > 21 22 O 0.59878364359290 0.65794148827022 0.14972476610926 15.999 > 21 23 O 0.34878364359290 0.84205851172978 0.85027523389074 15.999 > 23 24 O 0.84878364359290 0.84205851172978 0.85027523389074 15.999 > 23 25 O 0.09878364359290 0.84205851172978 0.64972476610926 15.999 > 25 26 O 0.59878364359290 0.84205851172978 0.64972476610926 15.999 > 25 27 O 0.34878364359290 0.65794148827022 0.35027523389074 15.999 > 27 28 O 0.84878364359290 0.65794148827022 0.35027523389074 15.999 > 27 29 O 0.40121635640710 0.34205851172978 0.85027523389074 15.999 > 29 30 O 0.90121635640710 0.34205851172978 0.85027523389074 15.999 > 29 31 O 0.28603459762891 0.28635909280763 0.01618883561220 15.999 > 31 32 O 0.78603459762891 0.28635909280763 0.01618883561220 15.999 > 31 33 O 0.33785349398262 0.40361711861212 0.39495142063282 15.999 > 33 34 O 0.83785349398262 0.40361711861212 0.39495142063282 15.999 > 33 35 O 0.08785349398262 0.09638288138788 0.60504857936718 15.999 > 35 36 O 0.58785349398262 0.09638288138788 0.60504857936718 15.999 > 35 37 O 0.16214650601738 0.90361711861212 0.10504857936718 15.999 > 37 38 O 0.66214650601738 0.90361711861212 0.10504857936718 15.999 > 37 39 O 0.41214650601738 0.59638288138788 0.89495142063282 15.999 > 39 40 O 0.91214650601738 0.59638288138788 0.89495142063282 15.999 > 39 41 O 0.16214650601738 0.59638288138788 0.60504857936718 15.999 > 41 42 O 0.66214650601738 0.59638288138788 0.60504857936718 15.999 > 41 43 O 0.41214650601738 0.90361711861212 0.39495142063282 15.999 > 43 44 O 0.91214650601738 0.90361711861212 0.39495142063282 15.999 > 43 45 O 0.33785349398262 0.09638288138788 0.89495142063282 15.999 > 45 46 O 0.83785349398262 0.09638288138788 0.89495142063282 15.999 > 45 47 O 0.08785349398262 0.40361711861212 0.10504857936718 15.999 > 47 48 O 0.58785349398262 0.40361711861212 0.10504857936718 15.999 > 47 49 O 0.03603459762891 0.28635909280763 0.48381116438780 15.999 > 49 50 O 0.53603459762891 0.28635909280763 0.48381116438780 15.999 > 49 51 O 0.28603459762891 0.21364090719237 0.51618883561220 15.999 > 51 52 O 0.78603459762891 0.21364090719237 0.51618883561220 15.999 > 51 53 O 0.46396540237109 0.78635909280763 0.01618883561220 15.999 > 53 54 O 0.96396540237109 0.78635909280763 0.01618883561220 15.999 > 53 55 O 0.21396540237109 0.71364090719237 0.98381116438780 15.999 > 55 56 O 0.71396540237109 0.71364090719237 0.98381116438780 15.999 > 55 57 O 0.46396540237109 0.71364090719237 0.51618883561220 15.999 > 57 58 O 0.96396540237109 0.71364090719237 0.51618883561220 15.999 > 57 59 O 0.21396540237109 0.78635909280763 0.48381116438780 15.999 > 59 60 O 0.71396540237109 0.78635909280763 0.48381116438780 15.999 > 59 61 O 0.03603459762891 0.21364090719237 0.98381116438780 15.999 > 61 62 O 0.53603459762891 0.21364090719237 0.98381116438780 15.999 > 61 63 O 0.15121635640710 0.15794148827022 0.14972476610926 15.999 > 63 64 O 0.65121635640710 0.15794148827022 0.14972476610926 15.999 > 63 65 Al 0.12794237701950 0.00793427230478 0.18853590276356 26.982 > 65 66 Al 0.62794237701950 0.00793427230478 0.18853590276356 26.982 > 65 67 Al 0.37794237701950 0.49206572769522 0.81146409723644 26.982 > 67 68 Al 0.87794237701950 0.49206572769522 0.81146409723644 26.982 > 67 69 Al 0.37205762298050 0.50793427230478 0.31146409723644 26.982 > 69 70 Al 0.87205762298050 0.50793427230478 0.31146409723644 26.982 > 69 71 Al 0.12205762298050 0.99206572769522 0.68853590276356 26.982 > 71 72 Al 0.62205762298050 0.99206572769522 0.68853590276356 26.982 > 71 73 Al 0.37205762298050 0.99206572769522 0.81146409723644 26.982 > 73 74 Al 0.87205762298050 0.99206572769522 0.81146409723644 26.982 > 73 75 Al 0.12205762298050 0.50793427230478 0.18853590276356 26.982 > 75 76 Al 0.62205762298050 0.50793427230478 0.18853590276356 26.982 > 75 77 Al 0.12794237701950 0.49206572769522 0.68853590276356 26.982 > 77 78 Al 0.62794237701950 0.49206572769522 0.68853590276356 26.982 > 77 79 Al 0.37794237701950 0.00793427230478 0.31146409723644 26.982 > 79 80 Al 0.87794237701950 0.00793427230478 0.31146409723644 26.982 > 79 81 Al 0.14074318801179 0.26227727168199 0.06360274635981 26.982 > 81 82 Al 0.64074318801179 0.26227727168199 0.06360274635981 26.982 > 81 83 Al 0.39074318801179 0.23772272831801 0.93639725364019 26.982 > 83 84 Al 0.89074318801179 0.23772272831801 0.93639725364019 26.982 > 83 85 Al 0.35925681198821 0.76227727168199 0.43639725364019 26.982 > 85 86 Al 0.85925681198821 0.76227727168199 0.43639725364019 26.982 > 85 87 Al 0.10925681198821 0.73772272831801 0.56360274635981 26.982 > 87 88 Al 0.60925681198821 0.73772272831801 0.56360274635981 26.982 > 87 89 Al 0.35925681198821 0.73772272831801 0.93639725364019 26.982 > 89 90 Al 0.85925681198821 0.73772272831801 0.93639725364019 26.982 > 89 91 Al 0.10925681198821 0.76227727168199 0.06360274635981 26.982 > 91 92 Al 0.60925681198821 0.76227727168199 0.06360274635981 26.982 > 91 93 Al 0.14074318801179 0.23772272831801 0.56360274635981 26.982 > 93 94 Al 0.64074318801179 0.23772272831801 0.56360274635981 26.982 > 93 95 Al 0.39074318801179 0.26227727168199 0.43639725364019 26.982 > 95 96 Al 0.89074318801179 0.26227727168199 0.43639725364019 26.982 > 95 97 K 0.37698744877718 0.00974810771495 0.06199305465871 39.098 > 97 98 K 0.87698744877718 0.00974810771495 0.06199305465871 39.098 > 97 99 K 0.12698744877718 0.49025189228505 0.93800694534129 39.098 > 99 100 K 0.62698744877718 0.49025189228505 0.93800694534129 39.098 > 99 101 K 0.12301255122282 0.50974810771495 0.43800694534129 39.098 > 101 102 K 0.62301255122282 0.50974810771495 0.43800694534129 39.098 > 101 103 K 0.37301255122282 0.99025189228505 0.56199305465871 39.098 > 103 104 K 0.87301255122282 0.99025189228505 0.56199305465871 39.098 > 103 105 K 0.12301255122282 0.99025189228505 0.93800694534129 39.098 > 105 106 K 0.62301255122282 0.99025189228505 0.93800694534129 39.098 > 105 107 K 0.37301255122282 0.50974810771495 0.06199305465871 39.098 > 107 108 K 0.87301255122282 0.50974810771495 0.06199305465871 39.098 > 107 109 K 0.37698744877718 0.49025189228505 0.56199305465871 39.098 > 109 110 K 0.87698744877718 0.49025189228505 0.56199305465871 39.098 > 109 111 K 0.12698744877718 0.00974810771495 0.43800694534129 39.098 > 111 112 K 0.62698744877718 0.00974810771495 0.43800694534129 39.098 > 111 113 K 0.39862870328126 0.26173333417058 0.18517083008771 39.098 > 113 114 K 0.89862870328126 0.26173333417058 0.18517083008771 39.098 > 113 115 K 0.14862870328126 0.23826666582942 0.81482916991229 39.098 > 115 116 K 0.64862870328126 0.23826666582942 0.81482916991229 39.098 > 115 117 K 0.10137129671874 0.76173333417058 0.31482916991229 39.098 > 117 118 K 0.60137129671874 0.76173333417058 0.31482916991229 39.098 > 117 119 K 0.35137129671874 0.73826666582942 0.68517083008771 39.098 > 119 120 K 0.85137129671874 0.73826666582942 0.68517083008771 39.098 > 119 121 K 0.10137129671874 0.73826666582942 0.81482916991229 39.098 > 121 122 K 0.60137129671874 0.73826666582942 0.81482916991229 39.098 > 121 123 K 0.35137129671874 0.76173333417058 0.18517083008771 39.098 > 123 124 K 0.85137129671874 0.76173333417058 0.18517083008771 39.098 > 123 125 K 0.39862870328126 0.23826666582942 0.68517083008771 39.098 > 125 126 K 0.89862870328126 0.23826666582942 0.68517083008771 39.098 > 125 127 K 0.14862870328126 0.26173333417058 0.31482916991229 39.098 > 127 128 K 0.64862870328126 0.26173333417058 0.31482916991229 39.098 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7505650 0.0000000 0.0000000 0.0000000 2.7498744 0.0000000 0.0000000 0.0000000 2.7535066 -------------------------- Born effective charges -------------------------- 1 O -2.1428035 0.0388446 -0.4367414 0.0218857 -1.4430955 -0.0259352 -0.4266157 -0.0236302 -1.8393384 2 O -2.1428035 -0.0388446 0.4367414 -0.0218857 -1.4430955 -0.0259352 0.4266157 -0.0236302 -1.8393384 3 O -2.1428035 -0.0388446 -0.4367414 -0.0218857 -1.4430955 0.0259352 -0.4266157 0.0236302 -1.8393384 4 O -2.1428035 0.0388446 0.4367414 0.0218857 -1.4430955 0.0259352 0.4266157 0.0236302 -1.8393384 5 O -2.1428035 0.0388446 -0.4367414 0.0218857 -1.4430955 -0.0259352 -0.4266157 -0.0236302 -1.8393384 6 O -2.1428035 -0.0388446 0.4367414 -0.0218857 -1.4430955 -0.0259352 0.4266157 -0.0236302 -1.8393384 7 O -2.1428035 -0.0388446 -0.4367414 -0.0218857 -1.4430955 0.0259352 -0.4266157 0.0236302 -1.8393384 8 O -2.1428035 0.0388446 0.4367414 0.0218857 -1.4430955 0.0259352 0.4266157 0.0236302 -1.8393384 9 O -1.4410817 -0.0440668 0.0038041 -0.0262479 -2.1795573 -0.4780293 -0.0201069 -0.4823040 -1.8260418 10 O -1.4410817 0.0440668 -0.0038041 0.0262479 -2.1795573 -0.4780293 0.0201069 -0.4823040 -1.8260418 11 O -1.4410817 0.0440668 0.0038041 0.0262479 -2.1795573 0.4780293 -0.0201069 0.4823040 -1.8260418 12 O -1.4410817 -0.0440668 -0.0038041 -0.0262479 -2.1795573 0.4780293 0.0201069 0.4823040 -1.8260418 13 O -1.4410817 -0.0440668 0.0038041 -0.0262479 -2.1795573 -0.4780293 -0.0201069 -0.4823040 -1.8260418 14 O -1.4410817 0.0440668 -0.0038041 0.0262479 -2.1795573 -0.4780293 0.0201069 -0.4823040 -1.8260418 15 O -1.4410817 0.0440668 0.0038041 0.0262479 -2.1795573 0.4780293 -0.0201069 0.4823040 -1.8260418 16 O -2.1334472 0.0577554 0.4753161 0.0504564 -1.4957425 -0.0910399 0.4775077 -0.0914976 -1.8121229 17 O -1.5135336 0.0664033 -0.0075924 0.0786736 -2.1029097 0.4589980 -0.0042283 0.4348366 -1.8187406 18 O -1.5135336 -0.0664033 0.0075924 -0.0786736 -2.1029097 0.4589980 0.0042283 0.4348366 -1.8187406 19 O -1.5135336 -0.0664033 -0.0075924 -0.0786736 -2.1029097 -0.4589980 -0.0042283 -0.4348366 -1.8187406 20 O -1.5135336 0.0664033 0.0075924 0.0786736 -2.1029097 -0.4589980 0.0042283 -0.4348366 -1.8187406 21 O -1.5135336 0.0664033 -0.0075924 0.0786736 -2.1029097 0.4589980 -0.0042283 0.4348366 -1.8187406 22 O -1.5135336 -0.0664033 0.0075924 -0.0786736 -2.1029097 0.4589980 0.0042283 0.4348366 -1.8187406 23 O -1.5135336 -0.0664033 -0.0075924 -0.0786736 -2.1029097 -0.4589980 -0.0042283 -0.4348366 -1.8187406 24 O -1.5135336 0.0664033 0.0075924 0.0786736 -2.1029097 -0.4589980 0.0042283 -0.4348366 -1.8187406 25 O -2.1334472 0.0577554 -0.4753161 0.0504564 -1.4957425 0.0910399 -0.4775077 0.0914976 -1.8121229 26 O -2.1334472 -0.0577554 0.4753161 -0.0504564 -1.4957425 0.0910399 0.4775077 0.0914976 -1.8121229 27 O -2.1334472 -0.0577554 -0.4753161 -0.0504564 -1.4957425 -0.0910399 -0.4775077 -0.0914976 -1.8121229 28 O -2.1334472 0.0577554 0.4753161 0.0504564 -1.4957425 -0.0910399 0.4775077 -0.0914976 -1.8121229 29 O -2.1334472 0.0577554 -0.4753161 0.0504564 -1.4957425 0.0910399 -0.4775077 0.0914976 -1.8121229 30 O -2.1334472 -0.0577554 0.4753161 -0.0504564 -1.4957425 0.0910399 0.4775077 0.0914976 -1.8121229 31 O -2.1334472 -0.0577554 -0.4753161 -0.0504564 -1.4957425 -0.0910399 -0.4775077 -0.0914976 -1.8121229 32 O -1.4410817 -0.0440668 -0.0038041 -0.0262479 -2.1795573 0.4780293 0.0201069 0.4823040 -1.8260418 33 Al 2.4161910 0.0475204 0.0699764 0.0294808 2.4256016 0.0581148 -0.0817008 -0.0779324 2.4371810 34 Al 2.4161910 -0.0475204 -0.0699764 -0.0294808 2.4256016 0.0581148 0.0817008 -0.0779324 2.4371810 35 Al 2.4161910 -0.0475204 0.0699764 -0.0294808 2.4256016 -0.0581148 -0.0817008 0.0779324 2.4371810 36 Al 2.4161910 0.0475204 -0.0699764 0.0294808 2.4256016 -0.0581148 0.0817008 0.0779324 2.4371810 37 Al 2.4161910 0.0475204 0.0699764 0.0294808 2.4256016 0.0581148 -0.0817008 -0.0779324 2.4371810 38 Al 2.4161910 -0.0475204 -0.0699764 -0.0294808 2.4256016 0.0581148 0.0817008 -0.0779324 2.4371810 39 Al 2.4161910 -0.0475204 0.0699764 -0.0294808 2.4256016 -0.0581148 -0.0817008 0.0779324 2.4371810 40 Al 2.4161910 0.0475204 -0.0699764 0.0294808 2.4256016 -0.0581148 0.0817008 0.0779324 2.4371810 41 Al 2.4401184 0.0671986 0.0349566 -0.0647376 2.4172677 -0.0293975 -0.0740489 0.0514730 2.4712737 42 Al 2.4401184 -0.0671986 -0.0349566 0.0647376 2.4172677 -0.0293975 0.0740489 0.0514730 2.4712737 43 Al 2.4401184 -0.0671986 0.0349566 0.0647376 2.4172677 0.0293975 -0.0740489 -0.0514730 2.4712737 44 Al 2.4401184 0.0671986 -0.0349566 -0.0647376 2.4172677 0.0293975 0.0740489 -0.0514730 2.4712737 45 Al 2.4401184 0.0671986 0.0349566 -0.0647376 2.4172677 -0.0293975 -0.0740489 0.0514730 2.4712737 46 Al 2.4401184 -0.0671986 -0.0349566 0.0647376 2.4172677 -0.0293975 0.0740489 0.0514730 2.4712737 47 Al 2.4401184 -0.0671986 0.0349566 0.0647376 2.4172677 0.0293975 -0.0740489 -0.0514730 2.4712737 48 Al 2.4401184 0.0671986 -0.0349566 -0.0647376 2.4172677 0.0293975 0.0740489 -0.0514730 2.4712737 49 K 1.1881769 -0.0158146 -0.0060460 -0.0140903 1.1887775 -0.0326823 0.0059839 -0.0398524 1.1947852 50 K 1.1881769 0.0158146 0.0060460 0.0140903 1.1887775 -0.0326823 -0.0059839 -0.0398524 1.1947852 51 K 1.1881769 0.0158146 -0.0060460 0.0140903 1.1887775 0.0326823 0.0059839 0.0398524 1.1947852 52 K 1.1881769 -0.0158146 0.0060460 -0.0140903 1.1887775 0.0326823 -0.0059839 0.0398524 1.1947852 53 K 1.1881769 -0.0158146 -0.0060460 -0.0140903 1.1887775 -0.0326823 0.0059839 -0.0398524 1.1947852 54 K 1.1881769 0.0158146 0.0060460 0.0140903 1.1887775 -0.0326823 -0.0059839 -0.0398524 1.1947852 55 K 1.1881769 0.0158146 -0.0060460 0.0140903 1.1887775 0.0326823 0.0059839 0.0398524 1.1947852 56 K 1.1881769 -0.0158146 0.0060460 -0.0140903 1.1887775 0.0326823 -0.0059839 0.0398524 1.1947852 57 K 1.1863796 -0.0049435 -0.0022253 0.0020040 1.1896582 -0.0225815 -0.0024834 -0.0341120 1.1930039 58 K 1.1863796 0.0049435 0.0022253 -0.0020040 1.1896582 -0.0225815 0.0024834 -0.0341120 1.1930039 59 K 1.1863796 0.0049435 -0.0022253 -0.0020040 1.1896582 0.0225815 -0.0024834 0.0341120 1.1930039 60 K 1.1863796 -0.0049435 0.0022253 0.0020040 1.1896582 0.0225815 0.0024834 0.0341120 1.1930039 61 K 1.1863796 -0.0049435 -0.0022253 0.0020040 1.1896582 -0.0225815 -0.0024834 -0.0341120 1.1930039 62 K 1.1863796 0.0049435 0.0022253 -0.0020040 1.1896582 -0.0225815 0.0024834 -0.0341120 1.1930039 63 K 1.1863796 0.0049435 -0.0022253 -0.0020040 1.1896582 0.0225815 -0.0024834 0.0341120 1.1930039 64 K 1.1863796 -0.0049435 0.0022253 0.0020040 1.1896582 0.0225815 0.0024834 0.0341120 1.1930039 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 31, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (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 2026-01-07 20:55:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:55:56]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.447148960000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.936982499999999 0.000000000000000 c 0.000000000000000 0.000000000000000 15.543089400000003 Atomic positions (fractional): 1 O 0.55071452149377 0.48408046250645 0.22177933609995 15.999 2 O 0.05071452149377 0.01591953749355 0.77822066390005 15.999 3 O 0.44928547850623 0.98408046250645 0.27822066390005 15.999 4 O 0.94928547850623 0.51591953749355 0.72177933609995 15.999 5 O 0.44928547850623 0.51591953749355 0.77822066390005 15.999 6 O 0.94928547850623 0.98408046250645 0.22177933609995 15.999 7 O 0.55071452149377 0.01591953749355 0.72177933609995 15.999 8 O 0.05071452149377 0.48408046250645 0.27822066390005 15.999 9 O 0.80243271281420 0.15794148827022 0.35027523389074 15.999 10 O 0.30243271281420 0.34205851172978 0.64972476610926 15.999 11 O 0.19756728718580 0.65794148827022 0.14972476610926 15.999 12 O 0.69756728718580 0.84205851172978 0.85027523389074 15.999 13 O 0.19756728718580 0.84205851172978 0.64972476610926 15.999 14 O 0.69756728718580 0.65794148827022 0.35027523389074 15.999 15 O 0.80243271281420 0.34205851172978 0.85027523389074 15.999 16 O 0.57206919525783 0.28635909280763 0.01618883561220 15.999 17 O 0.67570698796524 0.40361711861212 0.39495142063282 15.999 18 O 0.17570698796524 0.09638288138788 0.60504857936718 15.999 19 O 0.32429301203476 0.90361711861212 0.10504857936718 15.999 20 O 0.82429301203476 0.59638288138788 0.89495142063282 15.999 21 O 0.32429301203476 0.59638288138788 0.60504857936718 15.999 22 O 0.82429301203476 0.90361711861212 0.39495142063282 15.999 23 O 0.67570698796524 0.09638288138788 0.89495142063282 15.999 24 O 0.17570698796524 0.40361711861212 0.10504857936718 15.999 25 O 0.07206919525783 0.28635909280763 0.48381116438780 15.999 26 O 0.57206919525783 0.21364090719237 0.51618883561220 15.999 27 O 0.92793080474217 0.78635909280763 0.01618883561220 15.999 28 O 0.42793080474217 0.71364090719237 0.98381116438780 15.999 29 O 0.92793080474217 0.71364090719237 0.51618883561220 15.999 30 O 0.42793080474217 0.78635909280763 0.48381116438780 15.999 31 O 0.07206919525783 0.21364090719237 0.98381116438780 15.999 32 O 0.30243271281420 0.15794148827022 0.14972476610926 15.999 33 Al 0.25588475403900 0.00793427230478 0.18853590276356 26.982 34 Al 0.75588475403900 0.49206572769522 0.81146409723644 26.982 35 Al 0.74411524596100 0.50793427230478 0.31146409723644 26.982 36 Al 0.24411524596100 0.99206572769522 0.68853590276356 26.982 37 Al 0.74411524596100 0.99206572769522 0.81146409723644 26.982 38 Al 0.24411524596100 0.50793427230478 0.18853590276356 26.982 39 Al 0.25588475403900 0.49206572769522 0.68853590276356 26.982 40 Al 0.75588475403900 0.00793427230478 0.31146409723644 26.982 41 Al 0.28148637602358 0.26227727168199 0.06360274635981 26.982 42 Al 0.78148637602358 0.23772272831801 0.93639725364019 26.982 43 Al 0.71851362397642 0.76227727168199 0.43639725364019 26.982 44 Al 0.21851362397642 0.73772272831801 0.56360274635981 26.982 45 Al 0.71851362397642 0.73772272831801 0.93639725364019 26.982 46 Al 0.21851362397642 0.76227727168199 0.06360274635981 26.982 47 Al 0.28148637602358 0.23772272831801 0.56360274635981 26.982 48 Al 0.78148637602358 0.26227727168199 0.43639725364019 26.982 49 K 0.75397489755436 0.00974810771495 0.06199305465871 39.098 50 K 0.25397489755436 0.49025189228505 0.93800694534129 39.098 51 K 0.24602510244564 0.50974810771495 0.43800694534129 39.098 52 K 0.74602510244564 0.99025189228505 0.56199305465871 39.098 53 K 0.24602510244564 0.99025189228505 0.93800694534129 39.098 54 K 0.74602510244564 0.50974810771495 0.06199305465871 39.098 55 K 0.75397489755436 0.49025189228505 0.56199305465871 39.098 56 K 0.25397489755436 0.00974810771495 0.43800694534129 39.098 57 K 0.79725740656251 0.26173333417058 0.18517083008771 39.098 58 K 0.29725740656251 0.23826666582942 0.81482916991229 39.098 59 K 0.20274259343748 0.76173333417058 0.31482916991229 39.098 60 K 0.70274259343749 0.73826666582942 0.68517083008771 39.098 61 K 0.20274259343748 0.73826666582942 0.81482916991229 39.098 62 K 0.70274259343749 0.76173333417058 0.18517083008771 39.098 63 K 0.79725740656251 0.23826666582942 0.68517083008771 39.098 64 K 0.29725740656251 0.26173333417058 0.31482916991229 39.098 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.894297920000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.936982499999999 0.000000000000000 c 0.000000000000000 0.000000000000000 15.543089400000003 Atomic positions (fractional): 1 O 0.27535726074689 0.48408046250645 0.22177933609995 15.999 > 1 2 O 0.77535726074689 0.48408046250645 0.22177933609995 15.999 > 1 3 O 0.02535726074689 0.01591953749355 0.77822066390005 15.999 > 3 4 O 0.52535726074689 0.01591953749355 0.77822066390005 15.999 > 3 5 O 0.22464273925311 0.98408046250645 0.27822066390005 15.999 > 5 6 O 0.72464273925311 0.98408046250645 0.27822066390005 15.999 > 5 7 O 0.47464273925311 0.51591953749355 0.72177933609995 15.999 > 7 8 O 0.97464273925311 0.51591953749355 0.72177933609995 15.999 > 7 9 O 0.22464273925311 0.51591953749355 0.77822066390005 15.999 > 9 10 O 0.72464273925311 0.51591953749355 0.77822066390005 15.999 > 9 11 O 0.47464273925311 0.98408046250645 0.22177933609995 15.999 > 11 12 O 0.97464273925311 0.98408046250645 0.22177933609995 15.999 > 11 13 O 0.27535726074689 0.01591953749355 0.72177933609995 15.999 > 13 14 O 0.77535726074689 0.01591953749355 0.72177933609995 15.999 > 13 15 O 0.02535726074689 0.48408046250645 0.27822066390005 15.999 > 15 16 O 0.52535726074689 0.48408046250645 0.27822066390005 15.999 > 15 17 O 0.40121635640710 0.15794148827022 0.35027523389074 15.999 > 17 18 O 0.90121635640710 0.15794148827022 0.35027523389074 15.999 > 17 19 O 0.15121635640710 0.34205851172978 0.64972476610926 15.999 > 19 20 O 0.65121635640710 0.34205851172978 0.64972476610926 15.999 > 19 21 O 0.09878364359290 0.65794148827022 0.14972476610926 15.999 > 21 22 O 0.59878364359290 0.65794148827022 0.14972476610926 15.999 > 21 23 O 0.34878364359290 0.84205851172978 0.85027523389074 15.999 > 23 24 O 0.84878364359290 0.84205851172978 0.85027523389074 15.999 > 23 25 O 0.09878364359290 0.84205851172978 0.64972476610926 15.999 > 25 26 O 0.59878364359290 0.84205851172978 0.64972476610926 15.999 > 25 27 O 0.34878364359290 0.65794148827022 0.35027523389074 15.999 > 27 28 O 0.84878364359290 0.65794148827022 0.35027523389074 15.999 > 27 29 O 0.40121635640710 0.34205851172978 0.85027523389074 15.999 > 29 30 O 0.90121635640710 0.34205851172978 0.85027523389074 15.999 > 29 31 O 0.28603459762891 0.28635909280763 0.01618883561220 15.999 > 31 32 O 0.78603459762891 0.28635909280763 0.01618883561220 15.999 > 31 33 O 0.33785349398262 0.40361711861212 0.39495142063282 15.999 > 33 34 O 0.83785349398262 0.40361711861212 0.39495142063282 15.999 > 33 35 O 0.08785349398262 0.09638288138788 0.60504857936718 15.999 > 35 36 O 0.58785349398262 0.09638288138788 0.60504857936718 15.999 > 35 37 O 0.16214650601738 0.90361711861212 0.10504857936718 15.999 > 37 38 O 0.66214650601738 0.90361711861212 0.10504857936718 15.999 > 37 39 O 0.41214650601738 0.59638288138788 0.89495142063282 15.999 > 39 40 O 0.91214650601738 0.59638288138788 0.89495142063282 15.999 > 39 41 O 0.16214650601738 0.59638288138788 0.60504857936718 15.999 > 41 42 O 0.66214650601738 0.59638288138788 0.60504857936718 15.999 > 41 43 O 0.41214650601738 0.90361711861212 0.39495142063282 15.999 > 43 44 O 0.91214650601738 0.90361711861212 0.39495142063282 15.999 > 43 45 O 0.33785349398262 0.09638288138788 0.89495142063282 15.999 > 45 46 O 0.83785349398262 0.09638288138788 0.89495142063282 15.999 > 45 47 O 0.08785349398262 0.40361711861212 0.10504857936718 15.999 > 47 48 O 0.58785349398262 0.40361711861212 0.10504857936718 15.999 > 47 49 O 0.03603459762891 0.28635909280763 0.48381116438780 15.999 > 49 50 O 0.53603459762891 0.28635909280763 0.48381116438780 15.999 > 49 51 O 0.28603459762891 0.21364090719237 0.51618883561220 15.999 > 51 52 O 0.78603459762891 0.21364090719237 0.51618883561220 15.999 > 51 53 O 0.46396540237109 0.78635909280763 0.01618883561220 15.999 > 53 54 O 0.96396540237109 0.78635909280763 0.01618883561220 15.999 > 53 55 O 0.21396540237109 0.71364090719237 0.98381116438780 15.999 > 55 56 O 0.71396540237109 0.71364090719237 0.98381116438780 15.999 > 55 57 O 0.46396540237109 0.71364090719237 0.51618883561220 15.999 > 57 58 O 0.96396540237109 0.71364090719237 0.51618883561220 15.999 > 57 59 O 0.21396540237109 0.78635909280763 0.48381116438780 15.999 > 59 60 O 0.71396540237109 0.78635909280763 0.48381116438780 15.999 > 59 61 O 0.03603459762891 0.21364090719237 0.98381116438780 15.999 > 61 62 O 0.53603459762891 0.21364090719237 0.98381116438780 15.999 > 61 63 O 0.15121635640710 0.15794148827022 0.14972476610926 15.999 > 63 64 O 0.65121635640710 0.15794148827022 0.14972476610926 15.999 > 63 65 Al 0.12794237701950 0.00793427230478 0.18853590276356 26.982 > 65 66 Al 0.62794237701950 0.00793427230478 0.18853590276356 26.982 > 65 67 Al 0.37794237701950 0.49206572769522 0.81146409723644 26.982 > 67 68 Al 0.87794237701950 0.49206572769522 0.81146409723644 26.982 > 67 69 Al 0.37205762298050 0.50793427230478 0.31146409723644 26.982 > 69 70 Al 0.87205762298050 0.50793427230478 0.31146409723644 26.982 > 69 71 Al 0.12205762298050 0.99206572769522 0.68853590276356 26.982 > 71 72 Al 0.62205762298050 0.99206572769522 0.68853590276356 26.982 > 71 73 Al 0.37205762298050 0.99206572769522 0.81146409723644 26.982 > 73 74 Al 0.87205762298050 0.99206572769522 0.81146409723644 26.982 > 73 75 Al 0.12205762298050 0.50793427230478 0.18853590276356 26.982 > 75 76 Al 0.62205762298050 0.50793427230478 0.18853590276356 26.982 > 75 77 Al 0.12794237701950 0.49206572769522 0.68853590276356 26.982 > 77 78 Al 0.62794237701950 0.49206572769522 0.68853590276356 26.982 > 77 79 Al 0.37794237701950 0.00793427230478 0.31146409723644 26.982 > 79 80 Al 0.87794237701950 0.00793427230478 0.31146409723644 26.982 > 79 81 Al 0.14074318801179 0.26227727168199 0.06360274635981 26.982 > 81 82 Al 0.64074318801179 0.26227727168199 0.06360274635981 26.982 > 81 83 Al 0.39074318801179 0.23772272831801 0.93639725364019 26.982 > 83 84 Al 0.89074318801179 0.23772272831801 0.93639725364019 26.982 > 83 85 Al 0.35925681198821 0.76227727168199 0.43639725364019 26.982 > 85 86 Al 0.85925681198821 0.76227727168199 0.43639725364019 26.982 > 85 87 Al 0.10925681198821 0.73772272831801 0.56360274635981 26.982 > 87 88 Al 0.60925681198821 0.73772272831801 0.56360274635981 26.982 > 87 89 Al 0.35925681198821 0.73772272831801 0.93639725364019 26.982 > 89 90 Al 0.85925681198821 0.73772272831801 0.93639725364019 26.982 > 89 91 Al 0.10925681198821 0.76227727168199 0.06360274635981 26.982 > 91 92 Al 0.60925681198821 0.76227727168199 0.06360274635981 26.982 > 91 93 Al 0.14074318801179 0.23772272831801 0.56360274635981 26.982 > 93 94 Al 0.64074318801179 0.23772272831801 0.56360274635981 26.982 > 93 95 Al 0.39074318801179 0.26227727168199 0.43639725364019 26.982 > 95 96 Al 0.89074318801179 0.26227727168199 0.43639725364019 26.982 > 95 97 K 0.37698744877718 0.00974810771495 0.06199305465871 39.098 > 97 98 K 0.87698744877718 0.00974810771495 0.06199305465871 39.098 > 97 99 K 0.12698744877718 0.49025189228505 0.93800694534129 39.098 > 99 100 K 0.62698744877718 0.49025189228505 0.93800694534129 39.098 > 99 101 K 0.12301255122282 0.50974810771495 0.43800694534129 39.098 > 101 102 K 0.62301255122282 0.50974810771495 0.43800694534129 39.098 > 101 103 K 0.37301255122282 0.99025189228505 0.56199305465871 39.098 > 103 104 K 0.87301255122282 0.99025189228505 0.56199305465871 39.098 > 103 105 K 0.12301255122282 0.99025189228505 0.93800694534129 39.098 > 105 106 K 0.62301255122282 0.99025189228505 0.93800694534129 39.098 > 105 107 K 0.37301255122282 0.50974810771495 0.06199305465871 39.098 > 107 108 K 0.87301255122282 0.50974810771495 0.06199305465871 39.098 > 107 109 K 0.37698744877718 0.49025189228505 0.56199305465871 39.098 > 109 110 K 0.87698744877718 0.49025189228505 0.56199305465871 39.098 > 109 111 K 0.12698744877718 0.00974810771495 0.43800694534129 39.098 > 111 112 K 0.62698744877718 0.00974810771495 0.43800694534129 39.098 > 111 113 K 0.39862870328126 0.26173333417058 0.18517083008771 39.098 > 113 114 K 0.89862870328126 0.26173333417058 0.18517083008771 39.098 > 113 115 K 0.14862870328126 0.23826666582942 0.81482916991229 39.098 > 115 116 K 0.64862870328126 0.23826666582942 0.81482916991229 39.098 > 115 117 K 0.10137129671874 0.76173333417058 0.31482916991229 39.098 > 117 118 K 0.60137129671874 0.76173333417058 0.31482916991229 39.098 > 117 119 K 0.35137129671874 0.73826666582942 0.68517083008771 39.098 > 119 120 K 0.85137129671874 0.73826666582942 0.68517083008771 39.098 > 119 121 K 0.10137129671874 0.73826666582942 0.81482916991229 39.098 > 121 122 K 0.60137129671874 0.73826666582942 0.81482916991229 39.098 > 121 123 K 0.35137129671874 0.76173333417058 0.18517083008771 39.098 > 123 124 K 0.85137129671874 0.76173333417058 0.18517083008771 39.098 > 123 125 K 0.39862870328126 0.23826666582942 0.68517083008771 39.098 > 125 126 K 0.89862870328126 0.23826666582942 0.68517083008771 39.098 > 125 127 K 0.14862870328126 0.26173333417058 0.31482916991229 39.098 > 127 128 K 0.64862870328126 0.26173333417058 0.31482916991229 39.098 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7505650 0.0000000 0.0000000 0.0000000 2.7498744 0.0000000 0.0000000 0.0000000 2.7535066 -------------------------- Born effective charges -------------------------- 1 O -2.1428035 0.0388446 -0.4367414 0.0218857 -1.4430955 -0.0259352 -0.4266157 -0.0236302 -1.8393384 2 O -2.1428035 -0.0388446 0.4367414 -0.0218857 -1.4430955 -0.0259352 0.4266157 -0.0236302 -1.8393384 3 O -2.1428035 -0.0388446 -0.4367414 -0.0218857 -1.4430955 0.0259352 -0.4266157 0.0236302 -1.8393384 4 O -2.1428035 0.0388446 0.4367414 0.0218857 -1.4430955 0.0259352 0.4266157 0.0236302 -1.8393384 5 O -2.1428035 0.0388446 -0.4367414 0.0218857 -1.4430955 -0.0259352 -0.4266157 -0.0236302 -1.8393384 6 O -2.1428035 -0.0388446 0.4367414 -0.0218857 -1.4430955 -0.0259352 0.4266157 -0.0236302 -1.8393384 7 O -2.1428035 -0.0388446 -0.4367414 -0.0218857 -1.4430955 0.0259352 -0.4266157 0.0236302 -1.8393384 8 O -2.1428035 0.0388446 0.4367414 0.0218857 -1.4430955 0.0259352 0.4266157 0.0236302 -1.8393384 9 O -1.4410817 -0.0440668 0.0038041 -0.0262479 -2.1795573 -0.4780293 -0.0201069 -0.4823040 -1.8260418 10 O -1.4410817 0.0440668 -0.0038041 0.0262479 -2.1795573 -0.4780293 0.0201069 -0.4823040 -1.8260418 11 O -1.4410817 0.0440668 0.0038041 0.0262479 -2.1795573 0.4780293 -0.0201069 0.4823040 -1.8260418 12 O -1.4410817 -0.0440668 -0.0038041 -0.0262479 -2.1795573 0.4780293 0.0201069 0.4823040 -1.8260418 13 O -1.4410817 -0.0440668 0.0038041 -0.0262479 -2.1795573 -0.4780293 -0.0201069 -0.4823040 -1.8260418 14 O -1.4410817 0.0440668 -0.0038041 0.0262479 -2.1795573 -0.4780293 0.0201069 -0.4823040 -1.8260418 15 O -1.4410817 0.0440668 0.0038041 0.0262479 -2.1795573 0.4780293 -0.0201069 0.4823040 -1.8260418 16 O -2.1334472 0.0577554 0.4753161 0.0504564 -1.4957425 -0.0910399 0.4775077 -0.0914976 -1.8121229 17 O -1.5135336 0.0664033 -0.0075924 0.0786736 -2.1029097 0.4589980 -0.0042283 0.4348366 -1.8187406 18 O -1.5135336 -0.0664033 0.0075924 -0.0786736 -2.1029097 0.4589980 0.0042283 0.4348366 -1.8187406 19 O -1.5135336 -0.0664033 -0.0075924 -0.0786736 -2.1029097 -0.4589980 -0.0042283 -0.4348366 -1.8187406 20 O -1.5135336 0.0664033 0.0075924 0.0786736 -2.1029097 -0.4589980 0.0042283 -0.4348366 -1.8187406 21 O -1.5135336 0.0664033 -0.0075924 0.0786736 -2.1029097 0.4589980 -0.0042283 0.4348366 -1.8187406 22 O -1.5135336 -0.0664033 0.0075924 -0.0786736 -2.1029097 0.4589980 0.0042283 0.4348366 -1.8187406 23 O -1.5135336 -0.0664033 -0.0075924 -0.0786736 -2.1029097 -0.4589980 -0.0042283 -0.4348366 -1.8187406 24 O -1.5135336 0.0664033 0.0075924 0.0786736 -2.1029097 -0.4589980 0.0042283 -0.4348366 -1.8187406 25 O -2.1334472 0.0577554 -0.4753161 0.0504564 -1.4957425 0.0910399 -0.4775077 0.0914976 -1.8121229 26 O -2.1334472 -0.0577554 0.4753161 -0.0504564 -1.4957425 0.0910399 0.4775077 0.0914976 -1.8121229 27 O -2.1334472 -0.0577554 -0.4753161 -0.0504564 -1.4957425 -0.0910399 -0.4775077 -0.0914976 -1.8121229 28 O -2.1334472 0.0577554 0.4753161 0.0504564 -1.4957425 -0.0910399 0.4775077 -0.0914976 -1.8121229 29 O -2.1334472 0.0577554 -0.4753161 0.0504564 -1.4957425 0.0910399 -0.4775077 0.0914976 -1.8121229 30 O -2.1334472 -0.0577554 0.4753161 -0.0504564 -1.4957425 0.0910399 0.4775077 0.0914976 -1.8121229 31 O -2.1334472 -0.0577554 -0.4753161 -0.0504564 -1.4957425 -0.0910399 -0.4775077 -0.0914976 -1.8121229 32 O -1.4410817 -0.0440668 -0.0038041 -0.0262479 -2.1795573 0.4780293 0.0201069 0.4823040 -1.8260418 33 Al 2.4161910 0.0475204 0.0699764 0.0294808 2.4256016 0.0581148 -0.0817008 -0.0779324 2.4371810 34 Al 2.4161910 -0.0475204 -0.0699764 -0.0294808 2.4256016 0.0581148 0.0817008 -0.0779324 2.4371810 35 Al 2.4161910 -0.0475204 0.0699764 -0.0294808 2.4256016 -0.0581148 -0.0817008 0.0779324 2.4371810 36 Al 2.4161910 0.0475204 -0.0699764 0.0294808 2.4256016 -0.0581148 0.0817008 0.0779324 2.4371810 37 Al 2.4161910 0.0475204 0.0699764 0.0294808 2.4256016 0.0581148 -0.0817008 -0.0779324 2.4371810 38 Al 2.4161910 -0.0475204 -0.0699764 -0.0294808 2.4256016 0.0581148 0.0817008 -0.0779324 2.4371810 39 Al 2.4161910 -0.0475204 0.0699764 -0.0294808 2.4256016 -0.0581148 -0.0817008 0.0779324 2.4371810 40 Al 2.4161910 0.0475204 -0.0699764 0.0294808 2.4256016 -0.0581148 0.0817008 0.0779324 2.4371810 41 Al 2.4401184 0.0671986 0.0349566 -0.0647376 2.4172677 -0.0293975 -0.0740489 0.0514730 2.4712737 42 Al 2.4401184 -0.0671986 -0.0349566 0.0647376 2.4172677 -0.0293975 0.0740489 0.0514730 2.4712737 43 Al 2.4401184 -0.0671986 0.0349566 0.0647376 2.4172677 0.0293975 -0.0740489 -0.0514730 2.4712737 44 Al 2.4401184 0.0671986 -0.0349566 -0.0647376 2.4172677 0.0293975 0.0740489 -0.0514730 2.4712737 45 Al 2.4401184 0.0671986 0.0349566 -0.0647376 2.4172677 -0.0293975 -0.0740489 0.0514730 2.4712737 46 Al 2.4401184 -0.0671986 -0.0349566 0.0647376 2.4172677 -0.0293975 0.0740489 0.0514730 2.4712737 47 Al 2.4401184 -0.0671986 0.0349566 0.0647376 2.4172677 0.0293975 -0.0740489 -0.0514730 2.4712737 48 Al 2.4401184 0.0671986 -0.0349566 -0.0647376 2.4172677 0.0293975 0.0740489 -0.0514730 2.4712737 49 K 1.1881769 -0.0158146 -0.0060460 -0.0140903 1.1887775 -0.0326823 0.0059839 -0.0398524 1.1947852 50 K 1.1881769 0.0158146 0.0060460 0.0140903 1.1887775 -0.0326823 -0.0059839 -0.0398524 1.1947852 51 K 1.1881769 0.0158146 -0.0060460 0.0140903 1.1887775 0.0326823 0.0059839 0.0398524 1.1947852 52 K 1.1881769 -0.0158146 0.0060460 -0.0140903 1.1887775 0.0326823 -0.0059839 0.0398524 1.1947852 53 K 1.1881769 -0.0158146 -0.0060460 -0.0140903 1.1887775 -0.0326823 0.0059839 -0.0398524 1.1947852 54 K 1.1881769 0.0158146 0.0060460 0.0140903 1.1887775 -0.0326823 -0.0059839 -0.0398524 1.1947852 55 K 1.1881769 0.0158146 -0.0060460 0.0140903 1.1887775 0.0326823 0.0059839 0.0398524 1.1947852 56 K 1.1881769 -0.0158146 0.0060460 -0.0140903 1.1887775 0.0326823 -0.0059839 0.0398524 1.1947852 57 K 1.1863796 -0.0049435 -0.0022253 0.0020040 1.1896582 -0.0225815 -0.0024834 -0.0341120 1.1930039 58 K 1.1863796 0.0049435 0.0022253 -0.0020040 1.1896582 -0.0225815 0.0024834 -0.0341120 1.1930039 59 K 1.1863796 0.0049435 -0.0022253 -0.0020040 1.1896582 0.0225815 -0.0024834 0.0341120 1.1930039 60 K 1.1863796 -0.0049435 0.0022253 0.0020040 1.1896582 0.0225815 0.0024834 0.0341120 1.1930039 61 K 1.1863796 -0.0049435 -0.0022253 0.0020040 1.1896582 -0.0225815 -0.0024834 -0.0341120 1.1930039 62 K 1.1863796 0.0049435 0.0022253 -0.0020040 1.1896582 -0.0225815 0.0024834 -0.0341120 1.1930039 63 K 1.1863796 0.0049435 -0.0022253 -0.0020040 1.1896582 0.0225815 -0.0024834 0.0341120 1.1930039 64 K 1.1863796 -0.0049435 0.0022253 0.0020040 1.1896582 0.0225815 0.0024834 0.0341120 1.1930039 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- 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 ... [ 9 5 3 ] 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: 0.43, Number of G-points: 309, Lambda: 0.07 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/30) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 30 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 0.420 ( 0.000 0.000 0.000) 0.000 1.002 ( 0.000 0.000 0.000) 0.000 1.807 ( 0.000 0.000 0.000) 0.000 1.813 ( 0.000 0.000 0.000) 0.000 1.868 ( 0.000 0.000 0.000) 0.000 2.088 ( 0.000 0.000 0.000) 0.000 2.126 ( 0.000 0.000 0.000) 0.000 2.274 ( 0.000 0.000 0.000) 0.000 2.352 ( 0.000 0.000 0.000) 0.000 2.356 ( 0.000 0.000 0.000) 0.000 2.390 ( 0.000 0.000 0.000) 0.000 2.473 ( 0.000 0.000 0.000) 0.000 2.515 ( 0.000 0.000 0.000) 0.000 2.580 ( 0.000 0.000 0.000) 0.000 2.657 ( 0.000 0.000 0.000) 0.000 2.718 ( 0.000 0.000 0.000) 0.000 2.822 ( 0.000 0.000 0.000) 0.000 2.849 ( 0.000 0.000 0.000) 0.000 2.894 ( 0.000 0.000 0.000) 0.000 2.916 ( 0.000 0.000 0.000) 0.000 2.983 ( 0.000 0.000 0.000) 0.000 3.003 ( 0.000 0.000 0.000) 0.000 3.074 ( 0.000 0.000 0.000) 0.000 3.187 ( 0.000 0.000 0.000) 0.000 3.220 ( 0.000 0.000 0.000) 0.000 3.239 ( 0.000 0.000 0.000) 0.000 3.403 ( 0.000 0.000 0.000) 0.000 3.412 ( 0.000 0.000 0.000) 0.000 3.454 ( 0.000 0.000 0.000) 0.000 3.500 ( 0.000 0.000 0.000) 0.000 3.501 ( 0.000 0.000 0.000) 0.000 3.551 ( 0.000 0.000 0.000) 0.000 3.593 ( 0.000 0.000 0.000) 0.000 3.684 ( 0.000 0.000 0.000) 0.000 3.826 ( 0.000 0.000 0.000) 0.000 3.897 ( 0.000 0.000 0.000) 0.000 3.901 ( 0.000 0.000 0.000) 0.000 3.932 ( 0.000 0.000 0.000) 0.000 3.989 ( 0.000 0.000 0.000) 0.000 4.000 ( 0.000 0.000 0.000) 0.000 4.026 ( 0.000 0.000 0.000) 0.000 4.124 ( 0.000 0.000 0.000) 0.000 4.130 ( 0.000 0.000 0.000) 0.000 4.182 ( 0.000 0.000 0.000) 0.000 4.228 ( 0.000 0.000 0.000) 0.000 4.231 ( 0.000 0.000 0.000) 0.000 4.244 ( 0.000 0.000 0.000) 0.000 4.275 ( 0.000 0.000 0.000) 0.000 4.327 ( 0.000 0.000 0.000) 0.000 4.367 ( 0.000 0.000 0.000) 0.000 4.377 ( 0.000 0.000 0.000) 0.000 4.392 ( 0.000 0.000 0.000) 0.000 4.495 ( 0.000 0.000 0.000) 0.000 4.536 ( 0.000 0.000 0.000) 0.000 4.536 ( 0.000 0.000 0.000) 0.000 4.573 ( 0.000 0.000 0.000) 0.000 4.659 ( 0.000 0.000 0.000) 0.000 4.667 ( 0.000 0.000 0.000) 0.000 4.684 ( 0.000 0.000 0.000) 0.000 4.856 ( 0.000 0.000 0.000) 0.000 4.920 ( 0.000 0.000 0.000) 0.000 4.962 ( 0.000 0.000 0.000) 0.000 5.028 ( 0.000 0.000 0.000) 0.000 5.029 ( 0.000 0.000 0.000) 0.000 5.135 ( 0.000 0.000 0.000) 0.000 5.150 ( 0.000 0.000 0.000) 0.000 5.445 ( 0.000 0.000 0.000) 0.000 5.479 ( 0.000 0.000 0.000) 0.000 5.581 ( 0.000 0.000 0.000) 0.000 5.637 ( 0.000 0.000 0.000) 0.000 5.681 ( 0.000 0.000 0.000) 0.000 5.878 ( 0.000 0.000 0.000) 0.000 6.065 ( 0.000 0.000 0.000) 0.000 6.304 ( 0.000 0.000 0.000) 0.000 6.456 ( 0.000 0.000 0.000) 0.000 6.635 ( 0.000 0.000 0.000) 0.000 6.686 ( 0.000 0.000 0.000) 0.000 6.839 ( 0.000 0.000 0.000) 0.000 7.051 ( 0.000 0.000 0.000) 0.000 7.053 ( 0.000 0.000 0.000) 0.000 7.188 ( 0.000 0.000 0.000) 0.000 7.338 ( 0.000 0.000 0.000) 0.000 7.496 ( 0.000 0.000 0.000) 0.000 7.540 ( 0.000 0.000 0.000) 0.000 7.880 ( 0.000 0.000 0.000) 0.000 7.957 ( 0.000 0.000 0.000) 0.000 7.961 ( 0.000 0.000 0.000) 0.000 7.973 ( 0.000 0.000 0.000) 0.000 7.998 ( 0.000 0.000 0.000) 0.000 8.127 ( 0.000 0.000 0.000) 0.000 8.170 ( 0.000 0.000 0.000) 0.000 8.483 ( 0.000 0.000 0.000) 0.000 8.542 ( 0.000 0.000 0.000) 0.000 8.633 ( 0.000 0.000 0.000) 0.000 8.918 ( 0.000 0.000 0.000) 0.000 9.031 ( 0.000 0.000 0.000) 0.000 9.075 ( 0.000 0.000 0.000) 0.000 9.471 ( 0.000 0.000 0.000) 0.000 9.553 ( 0.000 0.000 0.000) 0.000 9.610 ( 0.000 0.000 0.000) 0.000 9.748 ( 0.000 0.000 0.000) 0.000 9.749 ( 0.000 0.000 0.000) 0.000 9.762 ( 0.000 0.000 0.000) 0.000 9.863 ( 0.000 0.000 0.000) 0.000 9.901 ( 0.000 0.000 0.000) 0.000 10.275 ( 0.000 0.000 0.000) 0.000 10.379 ( 0.000 0.000 0.000) 0.000 10.390 ( 0.000 0.000 0.000) 0.000 10.401 ( 0.000 0.000 0.000) 0.000 10.611 ( 0.000 0.000 0.000) 0.000 10.704 ( 0.000 0.000 0.000) 0.000 10.769 ( 0.000 0.000 0.000) 0.000 10.825 ( 0.000 0.000 0.000) 0.000 10.912 ( 0.000 0.000 0.000) 0.000 11.261 ( 0.000 0.000 0.000) 0.000 11.372 ( 0.000 0.000 0.000) 0.000 11.384 ( 0.000 0.000 0.000) 0.000 11.583 ( 0.000 0.000 0.000) 0.000 11.648 ( 0.000 0.000 0.000) 0.000 11.742 ( 0.000 0.000 0.000) 0.000 11.771 ( 0.000 0.000 0.000) 0.000 11.781 ( 0.000 0.000 0.000) 0.000 11.801 ( 0.000 0.000 0.000) 0.000 11.809 ( 0.000 0.000 0.000) 0.000 11.844 ( 0.000 0.000 0.000) 0.000 12.096 ( 0.000 0.000 0.000) 0.000 12.260 ( 0.000 0.000 0.000) 0.000 12.341 ( 0.000 0.000 0.000) 0.000 13.020 ( 0.000 0.000 0.000) 0.000 13.161 ( 0.000 0.000 0.000) 0.000 13.614 ( 0.000 0.000 0.000) 0.000 13.688 ( 0.000 0.000 0.000) 0.000 14.716 ( 0.000 0.000 0.000) 0.000 14.858 ( 0.000 0.000 0.000) 0.000 15.914 ( 0.000 0.000 0.000) 0.000 16.400 ( 0.000 0.000 0.000) 0.000 16.455 ( 0.000 0.000 0.000) 0.000 16.795 ( 0.000 0.000 0.000) 0.000 17.009 ( 0.000 0.000 0.000) 0.000 17.299 ( 0.000 0.000 0.000) 0.000 17.529 ( 0.000 0.000 0.000) 0.000 17.605 ( 0.000 0.000 0.000) 0.000 17.621 ( 0.000 0.000 0.000) 0.000 17.682 ( 0.000 0.000 0.000) 0.000 17.695 ( 0.000 0.000 0.000) 0.000 17.785 ( 0.000 0.000 0.000) 0.000 17.861 ( 0.000 0.000 0.000) 0.000 17.924 ( 0.000 0.000 0.000) 0.000 18.049 ( 0.000 0.000 0.000) 0.000 18.051 ( 0.000 0.000 0.000) 0.000 18.187 ( 0.000 0.000 0.000) 0.000 18.200 ( 0.000 0.000 0.000) 0.000 18.227 ( 0.000 0.000 0.000) 0.000 18.435 ( 0.000 0.000 0.000) 0.000 18.600 ( 0.000 0.000 0.000) 0.000 18.739 ( 0.000 0.000 0.000) 0.000 18.749 ( 0.000 0.000 0.000) 0.000 24.339 ( 0.000 0.000 0.000) 0.000 24.373 ( 0.000 0.000 0.000) 0.000 24.432 ( 0.000 0.000 0.000) 0.000 24.438 ( 0.000 0.000 0.000) 0.000 24.451 ( 0.000 0.000 0.000) 0.000 24.472 ( 0.000 0.000 0.000) 0.000 24.504 ( 0.000 0.000 0.000) 0.000 24.564 ( 0.000 0.000 0.000) 0.000 24.587 ( 0.000 0.000 0.000) 0.000 24.625 ( 0.000 0.000 0.000) 0.000 24.660 ( 0.000 0.000 0.000) 0.000 24.748 ( 0.000 0.000 0.000) 0.000 24.761 ( 0.000 0.000 0.000) 0.000 24.762 ( 0.000 0.000 0.000) 0.000 24.764 ( 0.000 0.000 0.000) 0.000 24.934 ( 0.000 0.000 0.000) 0.000 24.983 ( 0.000 0.000 0.000) 0.000 25.321 ( 0.000 0.000 0.000) 0.000 25.708 ( 0.000 0.000 0.000) 0.000 25.860 ( 0.000 0.000 0.000) 0.000 25.886 ( 0.000 0.000 0.000) 0.000 26.030 ( 0.000 0.000 0.000) 0.000 26.193 ( 0.000 0.000 0.000) 0.000 26.301 ( 0.000 0.000 0.000) 0.000 26.364 ( 0.000 0.000 0.000) 0.000 26.539 ( 0.000 0.000 0.000) 0.000 26.556 ( 0.000 0.000 0.000) 0.000 26.681 ( 0.000 0.000 0.000) 0.000 26.918 ( 0.000 0.000 0.000) 0.000 26.956 ( 0.000 0.000 0.000) 0.000 27.124 ( 0.000 0.000 0.000) 0.000 27.157 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/30) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( 28.473 0.000 0.000) 28.473 0.939 ( 45.035 0.000 0.000) 45.035 0.978 ( 31.912 0.000 0.000) 31.912 1.091 ( 44.843 0.000 0.000) 44.843 1.653 ( 45.145 0.000 0.000) 45.145 1.854 ( 5.107 0.000 0.000) 5.107 1.870 ( 2.533 0.000 0.000) 2.533 1.952 ( 7.021 0.000 0.000) 7.021 2.132 ( 3.125 0.000 0.000) 3.125 2.381 ( 8.809 0.000 0.000) 8.809 2.402 ( 18.411 0.000 0.000) 18.411 2.422 ( 2.971 0.000 0.000) 2.971 2.448 ( -7.945 0.000 0.000) 7.945 2.485 ( -8.902 0.000 0.000) 8.902 2.500 ( 7.695 0.000 0.000) 7.695 2.568 ( -0.391 0.000 0.000) 0.391 2.592 ( 20.825 0.000 0.000) 20.825 2.597 ( 14.601 0.000 0.000) 14.601 2.765 ( 3.800 0.000 0.000) 3.800 2.826 ( -0.596 0.000 0.000) 0.596 2.834 ( -1.931 0.000 0.000) 1.931 2.847 ( -4.498 0.000 0.000) 4.498 2.930 ( 2.935 0.000 0.000) 2.935 2.951 ( -0.459 0.000 0.000) 0.459 2.981 ( 4.233 0.000 0.000) 4.233 3.072 ( -9.257 0.000 0.000) 9.257 3.100 ( 2.297 0.000 0.000) 2.297 3.278 ( 2.650 0.000 0.000) 2.650 3.292 ( -11.580 0.000 0.000) 11.580 3.318 ( -2.870 0.000 0.000) 2.870 3.421 ( 9.032 0.000 0.000) 9.032 3.457 ( 2.524 0.000 0.000) 2.524 3.487 ( -2.600 0.000 0.000) 2.600 3.567 ( 9.238 0.000 0.000) 9.238 3.609 ( 0.102 0.000 0.000) 0.102 3.686 ( 9.164 0.000 0.000) 9.164 3.710 ( -0.793 0.000 0.000) 0.793 3.894 ( -0.512 0.000 0.000) 0.512 3.909 ( 1.122 0.000 0.000) 1.122 3.931 ( -0.617 0.000 0.000) 0.617 3.950 ( -10.833 0.000 0.000) 10.833 3.989 ( 0.411 0.000 0.000) 0.411 3.996 ( 10.869 0.000 0.000) 10.869 4.086 ( -5.147 0.000 0.000) 5.147 4.134 ( 7.559 0.000 0.000) 7.559 4.137 ( -5.844 0.000 0.000) 5.844 4.166 ( 1.234 0.000 0.000) 1.234 4.241 ( 5.742 0.000 0.000) 5.742 4.245 ( -9.296 0.000 0.000) 9.296 4.299 ( 5.899 0.000 0.000) 5.899 4.305 ( -2.344 0.000 0.000) 2.344 4.356 ( 3.211 0.000 0.000) 3.211 4.429 ( -3.152 0.000 0.000) 3.152 4.429 ( 12.812 0.000 0.000) 12.812 4.490 ( -10.420 0.000 0.000) 10.420 4.530 ( 2.412 0.000 0.000) 2.412 4.562 ( 8.573 0.000 0.000) 8.573 4.593 ( 4.499 0.000 0.000) 4.499 4.646 ( 0.235 0.000 0.000) 0.235 4.649 ( 1.152 0.000 0.000) 1.152 4.701 ( 4.455 0.000 0.000) 4.455 4.863 ( -7.043 0.000 0.000) 7.043 4.904 ( 4.747 0.000 0.000) 4.747 4.939 ( 3.929 0.000 0.000) 3.929 5.012 ( 0.189 0.000 0.000) 0.189 5.085 ( -1.785 0.000 0.000) 1.785 5.185 ( 0.809 0.000 0.000) 0.809 5.308 ( 17.898 0.000 0.000) 17.898 5.466 ( 1.490 0.000 0.000) 1.490 5.484 ( -3.908 0.000 0.000) 3.908 5.498 ( -13.296 0.000 0.000) 13.296 5.538 ( 7.753 0.000 0.000) 7.753 5.580 ( 0.982 0.000 0.000) 0.982 5.729 ( 6.367 0.000 0.000) 6.367 6.026 ( 12.566 0.000 0.000) 12.566 6.137 ( 5.242 0.000 0.000) 5.242 6.360 ( -8.559 0.000 0.000) 8.559 6.398 ( 7.993 0.000 0.000) 7.993 6.644 ( -14.051 0.000 0.000) 14.051 6.653 ( 0.150 0.000 0.000) 0.150 6.829 ( 13.119 0.000 0.000) 13.119 7.053 ( -9.738 0.000 0.000) 9.738 7.073 ( 1.485 0.000 0.000) 1.485 7.177 ( -13.993 0.000 0.000) 13.993 7.211 ( 13.194 0.000 0.000) 13.194 7.364 ( -11.939 0.000 0.000) 11.939 7.650 ( 12.422 0.000 0.000) 12.422 7.838 ( -9.044 0.000 0.000) 9.044 7.839 ( -9.365 0.000 0.000) 9.365 7.990 ( 9.637 0.000 0.000) 9.637 8.022 ( -6.077 0.000 0.000) 6.077 8.067 ( 3.901 0.000 0.000) 3.901 8.136 ( 0.132 0.000 0.000) 0.132 8.251 ( 12.408 0.000 0.000) 12.408 8.508 ( -1.493 0.000 0.000) 1.493 8.542 ( 0.640 0.000 0.000) 0.640 8.818 ( 17.199 0.000 0.000) 17.199 8.895 ( -4.830 0.000 0.000) 4.830 9.024 ( -3.743 0.000 0.000) 3.743 9.081 ( 4.539 0.000 0.000) 4.539 9.373 ( -13.182 0.000 0.000) 13.182 9.476 ( -0.902 0.000 0.000) 0.902 9.701 ( -9.193 0.000 0.000) 9.193 9.705 ( 8.496 0.000 0.000) 8.496 9.709 ( 0.621 0.000 0.000) 0.621 9.859 ( 3.528 0.000 0.000) 3.528 9.910 ( 9.935 0.000 0.000) 9.935 10.031 ( 7.850 0.000 0.000) 7.850 10.234 ( -9.785 0.000 0.000) 9.785 10.272 ( -1.134 0.000 0.000) 1.134 10.354 ( -3.882 0.000 0.000) 3.882 10.412 ( -1.651 0.000 0.000) 1.651 10.498 ( -7.844 0.000 0.000) 7.844 10.680 ( -1.366 0.000 0.000) 1.366 10.791 ( -3.009 0.000 0.000) 3.009 10.791 ( 0.148 0.000 0.000) 0.148 10.876 ( -4.692 0.000 0.000) 4.692 11.103 ( -12.379 0.000 0.000) 12.379 11.220 ( -13.735 0.000 0.000) 13.735 11.440 ( 3.142 0.000 0.000) 3.142 11.501 ( -4.240 0.000 0.000) 4.240 11.591 ( -7.412 0.000 0.000) 7.412 11.695 ( -13.873 0.000 0.000) 13.873 11.714 ( -1.315 0.000 0.000) 1.315 11.715 ( -2.993 0.000 0.000) 2.993 11.793 ( -0.231 0.000 0.000) 0.231 11.823 ( 2.128 0.000 0.000) 2.128 12.207 ( -5.139 0.000 0.000) 5.139 12.278 ( 16.700 0.000 0.000) 16.700 12.374 ( 25.583 0.000 0.000) 25.583 13.007 ( 14.344 0.000 0.000) 14.344 13.364 ( 5.880 0.000 0.000) 5.880 13.446 ( -15.455 0.000 0.000) 15.455 13.497 ( -5.668 0.000 0.000) 5.668 13.583 ( 2.536 0.000 0.000) 2.536 14.594 ( -23.593 0.000 0.000) 23.593 14.795 ( 7.903 0.000 0.000) 7.903 15.754 ( -13.961 0.000 0.000) 13.961 16.172 ( -18.029 0.000 0.000) 18.029 16.420 ( -1.959 0.000 0.000) 1.959 16.508 ( -25.976 0.000 0.000) 25.976 16.871 ( -31.752 0.000 0.000) 31.752 16.894 ( -4.574 0.000 0.000) 4.574 17.459 ( -6.537 0.000 0.000) 6.537 17.578 ( -1.077 0.000 0.000) 1.077 17.679 ( 7.118 0.000 0.000) 7.118 17.744 ( 0.415 0.000 0.000) 0.415 17.830 ( 8.068 0.000 0.000) 8.068 17.864 ( 8.888 0.000 0.000) 8.888 17.986 ( 2.268 0.000 0.000) 2.268 18.031 ( -1.690 0.000 0.000) 1.690 18.110 ( 7.496 0.000 0.000) 7.496 18.233 ( 1.440 0.000 0.000) 1.440 18.276 ( 5.319 0.000 0.000) 5.319 18.439 ( 16.099 0.000 0.000) 16.099 18.464 ( 19.320 0.000 0.000) 19.320 18.620 ( 13.614 0.000 0.000) 13.614 18.708 ( -1.930 0.000 0.000) 1.930 18.755 ( -3.949 0.000 0.000) 3.949 18.778 ( 14.197 0.000 0.000) 14.197 24.333 ( -0.494 0.000 0.000) 0.494 24.367 ( -0.466 0.000 0.000) 0.466 24.411 ( -1.598 0.000 0.000) 1.598 24.438 ( -0.008 0.000 0.000) 0.008 24.453 ( -0.653 0.000 0.000) 0.653 24.480 ( -2.037 0.000 0.000) 2.037 24.533 ( -0.530 0.000 0.000) 0.530 24.607 ( -3.765 0.000 0.000) 3.765 24.643 ( 3.746 0.000 0.000) 3.746 24.644 ( 4.952 0.000 0.000) 4.952 24.660 ( 3.175 0.000 0.000) 3.175 24.769 ( 0.631 0.000 0.000) 0.631 24.800 ( 3.142 0.000 0.000) 3.142 24.814 ( 3.545 0.000 0.000) 3.545 24.942 ( 0.515 0.000 0.000) 0.515 24.971 ( -1.100 0.000 0.000) 1.100 25.380 ( 5.789 0.000 0.000) 5.789 25.750 ( 3.997 0.000 0.000) 3.997 25.903 ( 4.060 0.000 0.000) 4.060 25.926 ( 3.809 0.000 0.000) 3.809 26.055 ( 2.370 0.000 0.000) 2.370 26.183 ( 1.574 0.000 0.000) 1.574 26.296 ( -0.255 0.000 0.000) 0.255 26.374 ( 1.176 0.000 0.000) 1.176 26.536 ( -0.167 0.000 0.000) 0.167 26.560 ( 0.531 0.000 0.000) 0.531 26.648 ( -3.162 0.000 0.000) 3.162 26.879 ( -1.981 0.000 0.000) 1.981 26.881 ( -3.545 0.000 0.000) 3.545 27.047 ( -6.941 0.000 0.000) 6.941 27.067 ( -8.026 0.000 0.000) 8.026 27.168 ( -4.194 0.000 0.000) 4.194 ======================= Grid point 2 (3/30) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 24.119 0.000 0.000) 24.119 1.443 ( 14.518 0.000 0.000) 14.518 1.580 ( 4.607 0.000 0.000) 4.607 1.801 ( 37.310 0.000 0.000) 37.310 1.899 ( -1.168 0.000 0.000) 1.168 1.987 ( 3.849 0.000 0.000) 3.849 2.018 ( -0.139 0.000 0.000) 0.139 2.060 ( -2.087 0.000 0.000) 2.087 2.279 ( -5.110 0.000 0.000) 5.110 2.300 ( -2.518 0.000 0.000) 2.518 2.437 ( -0.028 0.000 0.000) 0.028 2.491 ( -5.301 0.000 0.000) 5.301 2.550 ( -2.625 0.000 0.000) 2.625 2.568 ( 27.211 0.000 0.000) 27.211 2.668 ( 1.798 0.000 0.000) 1.798 2.716 ( 6.745 0.000 0.000) 6.745 2.746 ( -5.722 0.000 0.000) 5.722 2.795 ( 1.965 0.000 0.000) 1.965 2.825 ( 5.460 0.000 0.000) 5.460 2.879 ( -0.320 0.000 0.000) 0.320 2.891 ( 16.766 0.000 0.000) 16.766 2.923 ( -2.311 0.000 0.000) 2.311 2.933 ( 11.149 0.000 0.000) 11.149 2.942 ( -1.894 0.000 0.000) 1.894 3.060 ( 8.783 0.000 0.000) 8.783 3.091 ( -4.688 0.000 0.000) 4.688 3.139 ( 1.083 0.000 0.000) 1.083 3.203 ( 14.672 0.000 0.000) 14.672 3.251 ( -5.517 0.000 0.000) 5.517 3.430 ( -2.799 0.000 0.000) 2.799 3.475 ( -0.713 0.000 0.000) 0.713 3.510 ( 17.987 0.000 0.000) 17.987 3.545 ( -5.544 0.000 0.000) 5.544 3.546 ( 11.001 0.000 0.000) 11.001 3.680 ( -3.377 0.000 0.000) 3.377 3.721 ( -8.777 0.000 0.000) 8.777 3.732 ( -7.875 0.000 0.000) 7.875 3.805 ( 6.137 0.000 0.000) 6.137 3.866 ( -7.780 0.000 0.000) 7.780 3.895 ( 5.899 0.000 0.000) 5.899 3.963 ( 0.391 0.000 0.000) 0.391 3.979 ( -13.970 0.000 0.000) 13.970 4.029 ( 4.410 0.000 0.000) 4.410 4.057 ( 12.604 0.000 0.000) 12.604 4.093 ( -0.169 0.000 0.000) 0.169 4.141 ( -1.547 0.000 0.000) 1.547 4.215 ( 3.778 0.000 0.000) 3.778 4.280 ( 6.181 0.000 0.000) 6.181 4.329 ( 5.732 0.000 0.000) 5.732 4.336 ( -2.335 0.000 0.000) 2.335 4.369 ( 0.484 0.000 0.000) 0.484 4.402 ( 0.922 0.000 0.000) 0.922 4.412 ( 5.058 0.000 0.000) 5.058 4.474 ( 5.297 0.000 0.000) 5.297 4.606 ( 8.714 0.000 0.000) 8.714 4.628 ( -3.755 0.000 0.000) 3.755 4.725 ( -0.008 0.000 0.000) 0.008 4.730 ( 6.609 0.000 0.000) 6.609 4.743 ( 6.689 0.000 0.000) 6.689 4.745 ( 6.679 0.000 0.000) 6.679 4.761 ( 3.694 0.000 0.000) 3.694 4.816 ( 10.244 0.000 0.000) 10.244 4.991 ( 2.431 0.000 0.000) 2.431 4.997 ( 4.345 0.000 0.000) 4.345 5.114 ( 17.156 0.000 0.000) 17.156 5.162 ( -2.249 0.000 0.000) 2.249 5.290 ( 20.375 0.000 0.000) 20.375 5.379 ( 6.415 0.000 0.000) 6.415 5.432 ( -1.123 0.000 0.000) 1.123 5.470 ( 2.014 0.000 0.000) 2.014 5.499 ( 2.077 0.000 0.000) 2.077 5.764 ( 11.743 0.000 0.000) 11.743 5.804 ( 14.869 0.000 0.000) 14.869 5.923 ( 14.733 0.000 0.000) 14.733 6.232 ( 2.983 0.000 0.000) 2.983 6.265 ( 8.238 0.000 0.000) 8.238 6.281 ( 9.228 0.000 0.000) 9.228 6.356 ( -12.367 0.000 0.000) 12.367 6.498 ( -3.539 0.000 0.000) 3.539 6.576 ( -8.068 0.000 0.000) 8.068 6.854 ( -15.274 0.000 0.000) 15.274 6.930 ( 0.914 0.000 0.000) 0.914 6.983 ( -2.851 0.000 0.000) 2.851 7.126 ( 7.416 0.000 0.000) 7.416 7.424 ( 22.222 0.000 0.000) 22.222 7.547 ( 18.702 0.000 0.000) 18.702 7.596 ( -13.728 0.000 0.000) 13.728 7.755 ( 2.651 0.000 0.000) 2.651 7.837 ( -11.376 0.000 0.000) 11.376 7.930 ( 14.447 0.000 0.000) 14.447 8.079 ( -2.099 0.000 0.000) 2.099 8.126 ( -1.429 0.000 0.000) 1.429 8.218 ( 11.527 0.000 0.000) 11.527 8.280 ( -7.900 0.000 0.000) 7.900 8.546 ( -0.317 0.000 0.000) 0.317 8.684 ( 15.338 0.000 0.000) 15.338 8.721 ( -12.824 0.000 0.000) 12.824 8.880 ( -7.070 0.000 0.000) 7.070 9.177 ( 14.367 0.000 0.000) 14.367 9.195 ( 6.125 0.000 0.000) 6.125 9.292 ( 5.599 0.000 0.000) 5.599 9.370 ( -21.873 0.000 0.000) 21.873 9.428 ( -1.224 0.000 0.000) 1.224 9.753 ( 1.715 0.000 0.000) 1.715 9.906 ( 9.506 0.000 0.000) 9.506 9.937 ( -3.101 0.000 0.000) 3.101 10.037 ( -7.516 0.000 0.000) 7.516 10.054 ( -2.991 0.000 0.000) 2.991 10.102 ( 6.240 0.000 0.000) 6.240 10.202 ( -11.596 0.000 0.000) 11.596 10.225 ( -3.470 0.000 0.000) 3.470 10.360 ( -2.965 0.000 0.000) 2.965 10.375 ( -2.416 0.000 0.000) 2.416 10.690 ( -13.413 0.000 0.000) 13.413 10.730 ( -3.290 0.000 0.000) 3.290 10.773 ( -0.984 0.000 0.000) 0.984 10.775 ( -18.598 0.000 0.000) 18.598 10.776 ( 11.370 0.000 0.000) 11.370 10.935 ( -11.475 0.000 0.000) 11.475 11.279 ( -23.004 0.000 0.000) 23.004 11.348 ( -14.865 0.000 0.000) 14.865 11.392 ( -6.440 0.000 0.000) 6.440 11.508 ( 0.710 0.000 0.000) 0.710 11.695 ( -0.976 0.000 0.000) 0.976 11.709 ( 1.176 0.000 0.000) 1.176 11.718 ( -6.399 0.000 0.000) 6.399 11.904 ( 3.814 0.000 0.000) 3.814 12.062 ( -8.540 0.000 0.000) 8.540 12.646 ( 10.605 0.000 0.000) 10.605 12.913 ( 22.872 0.000 0.000) 22.872 12.924 ( -27.150 0.000 0.000) 27.150 13.119 ( -7.228 0.000 0.000) 7.228 13.289 ( 13.321 0.000 0.000) 13.321 13.752 ( 15.527 0.000 0.000) 15.527 13.923 ( 25.961 0.000 0.000) 25.961 14.021 ( -29.624 0.000 0.000) 29.624 15.043 ( 16.391 0.000 0.000) 16.391 15.424 ( -17.003 0.000 0.000) 17.003 15.774 ( -19.323 0.000 0.000) 19.323 15.891 ( -32.078 0.000 0.000) 32.078 16.194 ( -32.971 0.000 0.000) 32.971 16.473 ( 7.677 0.000 0.000) 7.677 16.908 ( 5.327 0.000 0.000) 5.327 17.258 ( -13.188 0.000 0.000) 13.188 17.578 ( 0.924 0.000 0.000) 0.924 17.746 ( 0.176 0.000 0.000) 0.176 17.885 ( 12.123 0.000 0.000) 12.123 17.962 ( 5.926 0.000 0.000) 5.926 17.972 ( -2.836 0.000 0.000) 2.836 17.988 ( -1.765 0.000 0.000) 1.765 18.054 ( 8.114 0.000 0.000) 8.114 18.245 ( -0.911 0.000 0.000) 0.911 18.304 ( -3.702 0.000 0.000) 3.702 18.308 ( 9.204 0.000 0.000) 9.204 18.697 ( 5.411 0.000 0.000) 5.411 18.698 ( -0.052 0.000 0.000) 0.052 18.726 ( 5.586 0.000 0.000) 5.586 18.814 ( 13.425 0.000 0.000) 13.425 18.849 ( 7.326 0.000 0.000) 7.326 19.038 ( 9.135 0.000 0.000) 9.135 24.323 ( -0.409 0.000 0.000) 0.409 24.357 ( -0.451 0.000 0.000) 0.451 24.380 ( -1.438 0.000 0.000) 1.438 24.420 ( -1.536 0.000 0.000) 1.536 24.429 ( -1.442 0.000 0.000) 1.442 24.433 ( -2.372 0.000 0.000) 2.372 24.530 ( -3.619 0.000 0.000) 3.619 24.532 ( -0.590 0.000 0.000) 0.590 24.720 ( 3.718 0.000 0.000) 3.718 24.738 ( 4.072 0.000 0.000) 4.072 24.757 ( 5.404 0.000 0.000) 5.404 24.797 ( 2.142 0.000 0.000) 2.142 24.859 ( 2.116 0.000 0.000) 2.116 24.880 ( 2.710 0.000 0.000) 2.710 24.940 ( -1.213 0.000 0.000) 1.213 24.949 ( -0.603 0.000 0.000) 0.603 25.551 ( 10.536 0.000 0.000) 10.536 25.867 ( 7.240 0.000 0.000) 7.240 26.015 ( 6.521 0.000 0.000) 6.521 26.036 ( 6.708 0.000 0.000) 6.708 26.120 ( 3.811 0.000 0.000) 3.811 26.226 ( 2.347 0.000 0.000) 2.347 26.301 ( 0.843 0.000 0.000) 0.843 26.421 ( 3.568 0.000 0.000) 3.568 26.539 ( 0.586 0.000 0.000) 0.586 26.558 ( -5.488 0.000 0.000) 5.488 26.579 ( 1.318 0.000 0.000) 1.318 26.774 ( -7.275 0.000 0.000) 7.275 26.826 ( -3.114 0.000 0.000) 3.114 26.877 ( -8.885 0.000 0.000) 8.885 26.885 ( -8.121 0.000 0.000) 8.121 27.053 ( -6.719 0.000 0.000) 6.719 ======================= Grid point 3 (4/30) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 13.082 0.000 0.000) 13.082 1.536 ( -4.164 0.000 0.000) 4.164 1.643 ( 3.904 0.000 0.000) 3.904 1.842 ( -9.408 0.000 0.000) 9.408 1.868 ( 3.767 0.000 0.000) 3.767 1.991 ( -3.871 0.000 0.000) 3.871 2.016 ( 0.285 0.000 0.000) 0.285 2.142 ( -21.020 0.000 0.000) 21.020 2.312 ( 12.145 0.000 0.000) 12.145 2.322 ( 1.049 0.000 0.000) 1.049 2.354 ( -7.377 0.000 0.000) 7.377 2.417 ( -5.567 0.000 0.000) 5.567 2.539 ( 11.385 0.000 0.000) 11.385 2.632 ( 0.846 0.000 0.000) 0.846 2.655 ( 0.446 0.000 0.000) 0.446 2.674 ( -12.088 0.000 0.000) 12.088 2.765 ( -1.961 0.000 0.000) 1.961 2.779 ( 0.564 0.000 0.000) 0.564 2.905 ( -1.032 0.000 0.000) 1.032 2.914 ( -4.860 0.000 0.000) 4.860 3.003 ( 5.059 0.000 0.000) 5.059 3.014 ( 8.924 0.000 0.000) 8.924 3.016 ( 5.437 0.000 0.000) 5.437 3.088 ( 2.425 0.000 0.000) 2.425 3.090 ( 2.294 0.000 0.000) 2.294 3.174 ( 1.482 0.000 0.000) 1.482 3.184 ( 5.667 0.000 0.000) 5.667 3.187 ( -0.259 0.000 0.000) 0.259 3.396 ( 0.034 0.000 0.000) 0.034 3.436 ( 1.359 0.000 0.000) 1.359 3.494 ( 8.603 0.000 0.000) 8.603 3.518 ( 0.038 0.000 0.000) 0.038 3.531 ( -6.298 0.000 0.000) 6.298 3.545 ( -4.936 0.000 0.000) 4.936 3.592 ( -6.243 0.000 0.000) 6.243 3.634 ( -6.789 0.000 0.000) 6.789 3.816 ( 0.569 0.000 0.000) 0.569 3.836 ( 8.690 0.000 0.000) 8.690 3.850 ( 2.239 0.000 0.000) 2.239 3.897 ( -3.892 0.000 0.000) 3.892 3.965 ( 4.803 0.000 0.000) 4.803 4.025 ( -5.619 0.000 0.000) 5.619 4.042 ( 5.440 0.000 0.000) 5.440 4.144 ( 16.109 0.000 0.000) 16.109 4.147 ( 6.262 0.000 0.000) 6.262 4.242 ( -2.322 0.000 0.000) 2.322 4.280 ( -2.356 0.000 0.000) 2.356 4.306 ( 6.147 0.000 0.000) 6.147 4.346 ( -3.074 0.000 0.000) 3.074 4.373 ( 5.189 0.000 0.000) 5.189 4.402 ( 0.010 0.000 0.000) 0.010 4.533 ( -4.048 0.000 0.000) 4.048 4.541 ( 10.501 0.000 0.000) 10.501 4.571 ( 3.914 0.000 0.000) 3.914 4.588 ( -0.879 0.000 0.000) 0.879 4.638 ( -4.519 0.000 0.000) 4.519 4.657 ( 6.853 0.000 0.000) 6.853 4.755 ( -0.044 0.000 0.000) 0.044 4.764 ( 1.409 0.000 0.000) 1.409 4.831 ( 3.431 0.000 0.000) 3.431 5.021 ( 15.688 0.000 0.000) 15.688 5.075 ( 3.995 0.000 0.000) 3.995 5.106 ( 17.513 0.000 0.000) 17.513 5.131 ( 0.529 0.000 0.000) 0.529 5.191 ( 8.952 0.000 0.000) 8.952 5.301 ( -5.927 0.000 0.000) 5.927 5.421 ( 0.554 0.000 0.000) 0.554 5.559 ( 2.234 0.000 0.000) 2.234 5.566 ( 4.913 0.000 0.000) 4.913 5.664 ( 23.152 0.000 0.000) 23.152 5.685 ( -2.985 0.000 0.000) 2.985 5.879 ( -3.599 0.000 0.000) 3.599 6.005 ( 6.883 0.000 0.000) 6.883 6.205 ( -1.038 0.000 0.000) 1.038 6.251 ( 13.737 0.000 0.000) 13.737 6.355 ( -8.658 0.000 0.000) 8.658 6.416 ( 8.575 0.000 0.000) 8.575 6.446 ( 20.242 0.000 0.000) 20.242 6.558 ( 14.842 0.000 0.000) 14.842 6.706 ( 34.309 0.000 0.000) 34.309 6.706 ( 8.457 0.000 0.000) 8.457 6.950 ( -3.771 0.000 0.000) 3.771 7.041 ( -1.141 0.000 0.000) 1.141 7.240 ( 2.365 0.000 0.000) 2.365 7.384 ( 0.960 0.000 0.000) 0.960 7.567 ( -14.975 0.000 0.000) 14.975 7.918 ( 15.851 0.000 0.000) 15.851 7.923 ( 11.561 0.000 0.000) 11.561 7.954 ( 12.751 0.000 0.000) 12.751 8.056 ( -13.537 0.000 0.000) 13.537 8.095 ( -1.228 0.000 0.000) 1.228 8.121 ( 20.534 0.000 0.000) 20.534 8.244 ( 16.290 0.000 0.000) 16.290 8.401 ( 2.210 0.000 0.000) 2.210 8.522 ( -1.358 0.000 0.000) 1.358 8.550 ( 2.471 0.000 0.000) 2.471 8.821 ( 0.209 0.000 0.000) 0.209 8.893 ( -18.641 0.000 0.000) 18.641 8.960 ( 10.195 0.000 0.000) 10.195 9.197 ( -7.859 0.000 0.000) 7.859 9.320 ( 5.896 0.000 0.000) 5.896 9.448 ( 7.381 0.000 0.000) 7.381 9.563 ( 3.652 0.000 0.000) 3.652 9.729 ( 0.541 0.000 0.000) 0.541 9.736 ( -11.577 0.000 0.000) 11.577 9.823 ( -19.909 0.000 0.000) 19.909 9.845 ( -8.609 0.000 0.000) 8.609 9.912 ( -19.840 0.000 0.000) 19.840 10.049 ( -6.420 0.000 0.000) 6.420 10.145 ( -1.383 0.000 0.000) 1.383 10.152 ( -2.814 0.000 0.000) 2.814 10.300 ( -2.670 0.000 0.000) 2.670 10.311 ( -20.556 0.000 0.000) 20.556 10.373 ( -0.055 0.000 0.000) 0.055 10.516 ( 0.749 0.000 0.000) 0.749 10.665 ( -16.682 0.000 0.000) 16.682 10.757 ( -2.032 0.000 0.000) 2.032 10.776 ( -4.862 0.000 0.000) 4.862 10.836 ( -6.635 0.000 0.000) 6.635 11.042 ( 11.871 0.000 0.000) 11.871 11.115 ( -2.986 0.000 0.000) 2.986 11.270 ( -4.191 0.000 0.000) 4.191 11.521 ( 0.358 0.000 0.000) 0.358 11.546 ( -9.891 0.000 0.000) 9.891 11.673 ( -1.011 0.000 0.000) 1.011 11.703 ( -2.204 0.000 0.000) 2.204 11.871 ( -10.079 0.000 0.000) 10.079 11.927 ( -2.547 0.000 0.000) 2.547 12.422 ( -19.919 0.000 0.000) 19.919 12.453 ( -16.803 0.000 0.000) 16.803 13.121 ( 1.005 0.000 0.000) 1.005 13.443 ( 27.203 0.000 0.000) 27.203 13.484 ( -21.253 0.000 0.000) 21.253 13.728 ( 27.573 0.000 0.000) 27.573 14.147 ( 20.858 0.000 0.000) 20.858 14.422 ( 22.089 0.000 0.000) 22.089 15.088 ( -15.883 0.000 0.000) 15.883 15.245 ( -30.829 0.000 0.000) 30.829 15.417 ( -15.562 0.000 0.000) 15.562 15.452 ( 23.195 0.000 0.000) 23.195 15.555 ( -29.450 0.000 0.000) 29.450 16.706 ( 13.995 0.000 0.000) 13.995 16.924 ( -19.482 0.000 0.000) 19.482 17.059 ( 7.762 0.000 0.000) 7.762 17.614 ( 2.636 0.000 0.000) 2.636 17.757 ( 0.950 0.000 0.000) 0.950 17.893 ( -4.646 0.000 0.000) 4.646 17.908 ( -3.527 0.000 0.000) 3.527 18.086 ( 5.800 0.000 0.000) 5.800 18.167 ( 2.911 0.000 0.000) 2.911 18.186 ( -6.068 0.000 0.000) 6.068 18.202 ( -0.321 0.000 0.000) 0.321 18.212 ( 14.938 0.000 0.000) 14.938 18.434 ( 3.371 0.000 0.000) 3.371 18.743 ( 0.703 0.000 0.000) 0.703 18.771 ( 6.510 0.000 0.000) 6.510 18.788 ( -0.969 0.000 0.000) 0.969 18.912 ( -0.463 0.000 0.000) 0.463 18.971 ( 1.255 0.000 0.000) 1.255 19.124 ( -0.179 0.000 0.000) 0.179 24.320 ( 0.212 0.000 0.000) 0.212 24.354 ( 0.323 0.000 0.000) 0.323 24.355 ( -0.971 0.000 0.000) 0.971 24.386 ( -1.672 0.000 0.000) 1.672 24.387 ( -2.052 0.000 0.000) 2.052 24.403 ( -1.003 0.000 0.000) 1.003 24.463 ( -2.872 0.000 0.000) 2.872 24.494 ( -2.937 0.000 0.000) 2.937 24.792 ( 3.264 0.000 0.000) 3.264 24.811 ( 2.935 0.000 0.000) 2.935 24.846 ( 2.302 0.000 0.000) 2.302 24.848 ( 3.379 0.000 0.000) 3.379 24.883 ( 0.356 0.000 0.000) 0.356 24.912 ( -1.308 0.000 0.000) 1.308 24.917 ( 0.857 0.000 0.000) 0.857 24.933 ( -1.043 0.000 0.000) 1.043 25.788 ( 12.129 0.000 0.000) 12.129 26.031 ( 8.556 0.000 0.000) 8.556 26.153 ( 6.642 0.000 0.000) 6.642 26.182 ( 7.050 0.000 0.000) 7.050 26.202 ( 4.053 0.000 0.000) 4.053 26.266 ( 1.078 0.000 0.000) 1.078 26.332 ( 2.160 0.000 0.000) 2.160 26.431 ( -6.722 0.000 0.000) 6.722 26.516 ( 5.437 0.000 0.000) 5.437 26.566 ( 2.136 0.000 0.000) 2.136 26.594 ( -9.358 0.000 0.000) 9.358 26.609 ( 1.069 0.000 0.000) 1.069 26.709 ( -7.099 0.000 0.000) 7.099 26.758 ( -3.426 0.000 0.000) 3.426 26.766 ( -4.104 0.000 0.000) 4.104 26.908 ( -7.154 0.000 0.000) 7.154 ======================= Grid point 4 (5/30) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 4.264 0.000 0.000) 4.264 1.647 ( 0.013 0.000 0.000) 0.013 1.659 ( 0.642 0.000 0.000) 0.642 1.718 ( -10.478 0.000 0.000) 10.478 1.781 ( -3.939 0.000 0.000) 3.939 1.881 ( -7.322 0.000 0.000) 7.322 2.028 ( 1.956 0.000 0.000) 1.956 2.049 ( 6.551 0.000 0.000) 6.551 2.256 ( 0.437 0.000 0.000) 0.437 2.273 ( -1.252 0.000 0.000) 1.252 2.351 ( -6.486 0.000 0.000) 6.486 2.368 ( -2.389 0.000 0.000) 2.389 2.541 ( -0.563 0.000 0.000) 0.563 2.584 ( 5.452 0.000 0.000) 5.452 2.626 ( -10.299 0.000 0.000) 10.299 2.658 ( -1.263 0.000 0.000) 1.263 2.758 ( 1.575 0.000 0.000) 1.575 2.768 ( -0.618 0.000 0.000) 0.618 2.777 ( -0.192 0.000 0.000) 0.192 2.830 ( -4.404 0.000 0.000) 4.404 3.085 ( -0.055 0.000 0.000) 0.055 3.094 ( 3.681 0.000 0.000) 3.681 3.121 ( 1.284 0.000 0.000) 1.284 3.127 ( -1.883 0.000 0.000) 1.883 3.132 ( 0.761 0.000 0.000) 0.761 3.158 ( -1.679 0.000 0.000) 1.679 3.287 ( 8.822 0.000 0.000) 8.822 3.350 ( 8.139 0.000 0.000) 8.139 3.423 ( 1.454 0.000 0.000) 1.454 3.451 ( -5.588 0.000 0.000) 5.588 3.477 ( -2.964 0.000 0.000) 2.964 3.487 ( -5.014 0.000 0.000) 5.014 3.523 ( 4.390 0.000 0.000) 4.390 3.530 ( 6.871 0.000 0.000) 6.871 3.585 ( 0.570 0.000 0.000) 0.570 3.637 ( 9.475 0.000 0.000) 9.475 3.651 ( -8.785 0.000 0.000) 8.785 3.854 ( -7.237 0.000 0.000) 7.237 3.857 ( 0.688 0.000 0.000) 0.688 3.924 ( -4.863 0.000 0.000) 4.863 3.968 ( 8.574 0.000 0.000) 8.574 4.091 ( 1.150 0.000 0.000) 1.150 4.155 ( 9.479 0.000 0.000) 9.479 4.220 ( -5.946 0.000 0.000) 5.946 4.222 ( -3.155 0.000 0.000) 3.155 4.227 ( 1.628 0.000 0.000) 1.628 4.281 ( -2.505 0.000 0.000) 2.505 4.295 ( 7.228 0.000 0.000) 7.228 4.339 ( -7.184 0.000 0.000) 7.184 4.414 ( 1.385 0.000 0.000) 1.385 4.460 ( -3.041 0.000 0.000) 3.041 4.468 ( -9.336 0.000 0.000) 9.336 4.545 ( 11.511 0.000 0.000) 11.511 4.557 ( 2.225 0.000 0.000) 2.225 4.603 ( -1.219 0.000 0.000) 1.219 4.663 ( -0.358 0.000 0.000) 0.358 4.838 ( 6.116 0.000 0.000) 6.116 4.875 ( 7.219 0.000 0.000) 7.219 4.876 ( 6.532 0.000 0.000) 6.532 4.896 ( 3.277 0.000 0.000) 3.277 5.072 ( -1.424 0.000 0.000) 1.424 5.177 ( -4.322 0.000 0.000) 4.322 5.233 ( 9.505 0.000 0.000) 9.505 5.285 ( 3.197 0.000 0.000) 3.197 5.291 ( 3.238 0.000 0.000) 3.238 5.396 ( 9.641 0.000 0.000) 9.641 5.451 ( -5.250 0.000 0.000) 5.250 5.482 ( -2.376 0.000 0.000) 2.376 5.540 ( -6.785 0.000 0.000) 6.785 5.657 ( -12.329 0.000 0.000) 12.329 5.700 ( 3.874 0.000 0.000) 3.874 5.713 ( 0.690 0.000 0.000) 0.690 6.029 ( 1.603 0.000 0.000) 1.603 6.140 ( -9.455 0.000 0.000) 9.455 6.505 ( 17.747 0.000 0.000) 17.747 6.658 ( 12.501 0.000 0.000) 12.501 6.667 ( 16.381 0.000 0.000) 16.381 6.788 ( -14.631 0.000 0.000) 14.631 6.799 ( 4.299 0.000 0.000) 4.299 6.818 ( 10.377 0.000 0.000) 10.377 6.875 ( -2.391 0.000 0.000) 2.391 7.197 ( -20.098 0.000 0.000) 20.098 7.223 ( 34.680 0.000 0.000) 34.680 7.303 ( 12.138 0.000 0.000) 12.138 7.426 ( 32.659 0.000 0.000) 32.659 7.598 ( -0.555 0.000 0.000) 0.555 7.797 ( -1.051 0.000 0.000) 1.051 7.944 ( -13.860 0.000 0.000) 13.860 7.948 ( -29.153 0.000 0.000) 29.153 7.978 ( -5.574 0.000 0.000) 5.574 8.171 ( 6.425 0.000 0.000) 6.425 8.195 ( 1.692 0.000 0.000) 1.692 8.524 ( 9.730 0.000 0.000) 9.730 8.579 ( 6.696 0.000 0.000) 6.696 8.689 ( 23.269 0.000 0.000) 23.269 8.859 ( 22.752 0.000 0.000) 22.752 9.000 ( 22.221 0.000 0.000) 22.221 9.011 ( -4.494 0.000 0.000) 4.494 9.025 ( 21.950 0.000 0.000) 21.950 9.031 ( -6.065 0.000 0.000) 6.065 9.280 ( -17.760 0.000 0.000) 17.760 9.363 ( -23.569 0.000 0.000) 23.569 9.494 ( -2.183 0.000 0.000) 2.183 9.530 ( -3.079 0.000 0.000) 3.079 9.554 ( 4.114 0.000 0.000) 4.114 9.559 ( -7.725 0.000 0.000) 7.725 9.585 ( -24.736 0.000 0.000) 24.736 9.627 ( -21.476 0.000 0.000) 21.476 9.723 ( -3.336 0.000 0.000) 3.336 9.941 ( -22.791 0.000 0.000) 22.791 10.102 ( 4.548 0.000 0.000) 4.548 10.169 ( 5.220 0.000 0.000) 5.220 10.223 ( -5.183 0.000 0.000) 5.183 10.321 ( -9.303 0.000 0.000) 9.303 10.460 ( 7.276 0.000 0.000) 7.276 10.557 ( -0.811 0.000 0.000) 0.811 10.718 ( -0.408 0.000 0.000) 0.408 10.727 ( -0.615 0.000 0.000) 0.615 10.918 ( 7.480 0.000 0.000) 7.480 11.069 ( -6.414 0.000 0.000) 6.414 11.211 ( 7.800 0.000 0.000) 7.800 11.356 ( -7.650 0.000 0.000) 7.650 11.377 ( 11.287 0.000 0.000) 11.287 11.526 ( -0.600 0.000 0.000) 0.600 11.635 ( -3.458 0.000 0.000) 3.458 11.663 ( -8.974 0.000 0.000) 8.974 11.668 ( 1.522 0.000 0.000) 1.522 11.786 ( -9.280 0.000 0.000) 9.280 12.174 ( -4.703 0.000 0.000) 4.703 12.196 ( -6.995 0.000 0.000) 6.995 13.115 ( 0.240 0.000 0.000) 0.240 13.187 ( -8.097 0.000 0.000) 8.097 14.027 ( 29.113 0.000 0.000) 29.113 14.289 ( 26.136 0.000 0.000) 26.136 14.561 ( 19.792 0.000 0.000) 19.792 14.618 ( -27.563 0.000 0.000) 27.563 14.750 ( -18.571 0.000 0.000) 18.571 14.828 ( 14.553 0.000 0.000) 14.553 15.000 ( -24.519 0.000 0.000) 24.519 15.124 ( -13.832 0.000 0.000) 13.832 15.960 ( 25.774 0.000 0.000) 25.774 16.475 ( -24.129 0.000 0.000) 24.129 16.990 ( 12.334 0.000 0.000) 12.334 17.143 ( -1.381 0.000 0.000) 1.381 17.685 ( 4.273 0.000 0.000) 4.273 17.786 ( 1.958 0.000 0.000) 1.958 17.787 ( -5.515 0.000 0.000) 5.515 17.838 ( -3.110 0.000 0.000) 3.110 18.116 ( -0.027 0.000 0.000) 0.027 18.147 ( -0.713 0.000 0.000) 0.713 18.178 ( -0.103 0.000 0.000) 0.103 18.186 ( -0.378 0.000 0.000) 0.378 18.511 ( 5.987 0.000 0.000) 5.987 18.563 ( 16.789 0.000 0.000) 16.789 18.665 ( -7.575 0.000 0.000) 7.575 18.797 ( 2.514 0.000 0.000) 2.514 18.859 ( -11.216 0.000 0.000) 11.216 18.864 ( -3.511 0.000 0.000) 3.511 18.927 ( 7.939 0.000 0.000) 7.939 19.066 ( -5.128 0.000 0.000) 5.128 24.331 ( 0.860 0.000 0.000) 0.860 24.343 ( -0.072 0.000 0.000) 0.072 24.354 ( -1.131 0.000 0.000) 1.131 24.354 ( -1.376 0.000 0.000) 1.376 24.376 ( 1.843 0.000 0.000) 1.843 24.395 ( 0.296 0.000 0.000) 0.296 24.415 ( -1.723 0.000 0.000) 1.723 24.428 ( -3.147 0.000 0.000) 3.147 24.849 ( 2.273 0.000 0.000) 2.273 24.856 ( 1.550 0.000 0.000) 1.550 24.879 ( -0.678 0.000 0.000) 0.678 24.883 ( 1.423 0.000 0.000) 1.423 24.885 ( -1.403 0.000 0.000) 1.403 24.897 ( 1.627 0.000 0.000) 1.627 24.909 ( -1.207 0.000 0.000) 1.207 24.919 ( -0.536 0.000 0.000) 0.536 26.027 ( 10.977 0.000 0.000) 10.977 26.199 ( 7.207 0.000 0.000) 7.207 26.220 ( -7.032 0.000 0.000) 7.032 26.273 ( 0.535 0.000 0.000) 0.535 26.275 ( 5.499 0.000 0.000) 5.499 26.276 ( 2.925 0.000 0.000) 2.925 26.324 ( -2.564 0.000 0.000) 2.564 26.405 ( 2.912 0.000 0.000) 2.912 26.415 ( -5.311 0.000 0.000) 5.311 26.540 ( -6.637 0.000 0.000) 6.637 26.615 ( 3.569 0.000 0.000) 3.569 26.642 ( 5.770 0.000 0.000) 5.770 26.664 ( 1.417 0.000 0.000) 1.417 26.687 ( -3.559 0.000 0.000) 3.559 26.702 ( -2.343 0.000 0.000) 2.343 26.769 ( -6.510 0.000 0.000) 6.510 ======================= Grid point 9 (6/30) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( 0.000 28.739 0.000) 28.739 0.639 ( 0.000 20.656 0.000) 20.656 0.758 ( 0.000 39.617 0.000) 39.617 1.044 ( 0.000 13.816 0.000) 13.816 1.245 ( 0.000 54.460 0.000) 54.460 1.861 ( 0.000 4.459 0.000) 4.459 1.867 ( 0.000 -5.138 0.000) 5.138 1.908 ( 0.000 8.147 0.000) 8.147 1.982 ( 0.000 -12.428 0.000) 12.428 2.065 ( 0.000 3.774 0.000) 3.774 2.204 ( 0.000 -15.512 0.000) 15.512 2.419 ( 0.000 -5.881 0.000) 5.881 2.435 ( 0.000 7.637 0.000) 7.637 2.491 ( 0.000 0.986 0.000) 0.986 2.529 ( 0.000 12.542 0.000) 12.542 2.540 ( 0.000 0.768 0.000) 0.768 2.619 ( 0.000 -13.409 0.000) 13.409 2.676 ( 0.000 17.328 0.000) 17.328 2.717 ( 0.000 4.223 0.000) 4.223 2.727 ( 0.000 5.570 0.000) 5.570 2.775 ( 0.000 -8.587 0.000) 8.587 2.883 ( 0.000 -1.525 0.000) 1.525 2.925 ( 0.000 3.454 0.000) 3.454 2.994 ( 0.000 -6.306 0.000) 6.306 3.041 ( 0.000 6.921 0.000) 6.921 3.145 ( 0.000 -0.538 0.000) 0.538 3.167 ( 0.000 3.291 0.000) 3.291 3.259 ( 0.000 7.751 0.000) 7.751 3.266 ( 0.000 -9.515 0.000) 9.515 3.317 ( 0.000 0.899 0.000) 0.899 3.352 ( 0.000 5.618 0.000) 5.618 3.410 ( 0.000 -10.049 0.000) 10.049 3.475 ( 0.000 4.568 0.000) 4.568 3.573 ( 0.000 3.351 0.000) 3.351 3.694 ( 0.000 7.581 0.000) 7.581 3.768 ( 0.000 3.702 0.000) 3.702 3.807 ( 0.000 -5.059 0.000) 5.059 3.812 ( 0.000 -9.348 0.000) 9.348 3.874 ( 0.000 -2.629 0.000) 2.629 3.939 ( 0.000 -8.693 0.000) 8.693 3.967 ( 0.000 0.503 0.000) 0.503 3.992 ( 0.000 20.152 0.000) 20.152 4.084 ( 0.000 4.440 0.000) 4.440 4.087 ( 0.000 3.465 0.000) 3.465 4.148 ( 0.000 9.245 0.000) 9.245 4.149 ( 0.000 -3.858 0.000) 3.858 4.202 ( 0.000 2.311 0.000) 2.311 4.202 ( 0.000 3.367 0.000) 3.367 4.318 ( 0.000 7.867 0.000) 7.867 4.328 ( 0.000 5.009 0.000) 5.009 4.360 ( 0.000 -0.160 0.000) 0.160 4.362 ( 0.000 -0.213 0.000) 0.213 4.406 ( 0.000 2.809 0.000) 2.809 4.473 ( 0.000 -4.234 0.000) 4.234 4.482 ( 0.000 7.940 0.000) 7.940 4.498 ( 0.000 1.461 0.000) 1.461 4.598 ( 0.000 -1.069 0.000) 1.069 4.599 ( 0.000 2.490 0.000) 2.490 4.652 ( 0.000 7.859 0.000) 7.859 4.661 ( 0.000 -0.788 0.000) 0.788 4.706 ( 0.000 7.577 0.000) 7.577 4.730 ( 0.000 -2.067 0.000) 2.067 4.869 ( 0.000 1.681 0.000) 1.681 4.913 ( 0.000 -1.105 0.000) 1.105 4.943 ( 0.000 -6.960 0.000) 6.960 5.033 ( 0.000 -1.888 0.000) 1.888 5.099 ( 0.000 10.514 0.000) 10.514 5.125 ( 0.000 -2.702 0.000) 2.702 5.255 ( 0.000 -12.304 0.000) 12.304 5.519 ( 0.000 5.619 0.000) 5.619 5.628 ( 0.000 -17.570 0.000) 17.570 5.628 ( 0.000 4.338 0.000) 4.338 5.670 ( 0.000 3.594 0.000) 3.594 5.736 ( 0.000 1.280 0.000) 1.280 5.892 ( 0.000 15.421 0.000) 15.421 6.251 ( 0.000 6.113 0.000) 6.113 6.290 ( 0.000 -3.382 0.000) 3.382 6.311 ( 0.000 -14.487 0.000) 14.487 6.504 ( 0.000 -21.440 0.000) 21.440 6.578 ( 0.000 -5.859 0.000) 5.859 6.671 ( 0.000 -31.787 0.000) 31.787 6.750 ( 0.000 -4.625 0.000) 4.625 6.836 ( 0.000 -32.128 0.000) 32.128 6.996 ( 0.000 -8.136 0.000) 8.136 7.293 ( 0.000 -5.056 0.000) 5.056 7.390 ( 0.000 3.813 0.000) 3.813 7.460 ( 0.000 -35.667 0.000) 35.667 7.619 ( 0.000 2.705 0.000) 2.705 7.869 ( 0.000 -8.727 0.000) 8.727 7.983 ( 0.000 13.003 0.000) 13.003 7.990 ( 0.000 -1.084 0.000) 1.084 8.109 ( 0.000 7.675 0.000) 7.675 8.358 ( 0.000 -8.194 0.000) 8.194 8.373 ( 0.000 24.444 0.000) 24.444 8.444 ( 0.000 11.243 0.000) 11.243 8.622 ( 0.000 3.439 0.000) 3.439 8.959 ( 0.000 20.255 0.000) 20.255 8.983 ( 0.000 6.514 0.000) 6.514 9.035 ( 0.000 3.650 0.000) 3.650 9.088 ( 0.000 0.882 0.000) 0.882 9.404 ( 0.000 -12.851 0.000) 12.851 9.469 ( 0.000 -1.048 0.000) 1.048 9.519 ( 0.000 -2.954 0.000) 2.954 9.720 ( 0.000 -3.320 0.000) 3.320 9.750 ( 0.000 0.472 0.000) 0.472 9.825 ( 0.000 -1.740 0.000) 1.740 9.867 ( 0.000 2.832 0.000) 2.832 9.914 ( 0.000 1.360 0.000) 1.360 10.240 ( 0.000 -3.929 0.000) 3.929 10.281 ( 0.000 -10.278 0.000) 10.278 10.399 ( 0.000 1.779 0.000) 1.779 10.430 ( 0.000 4.981 0.000) 4.981 10.597 ( 0.000 -0.420 0.000) 0.420 10.752 ( 0.000 1.362 0.000) 1.362 10.896 ( 0.000 6.881 0.000) 6.881 10.950 ( 0.000 16.431 0.000) 16.431 11.023 ( 0.000 10.222 0.000) 10.222 11.344 ( 0.000 7.929 0.000) 7.929 11.352 ( 0.000 -3.364 0.000) 3.364 11.370 ( 0.000 -0.762 0.000) 0.762 11.582 ( 0.000 -0.035 0.000) 0.035 11.609 ( 0.000 -4.210 0.000) 4.210 11.696 ( 0.000 -4.091 0.000) 4.091 11.720 ( 0.000 -3.127 0.000) 3.127 11.839 ( 0.000 5.893 0.000) 5.893 11.896 ( 0.000 4.995 0.000) 4.995 11.897 ( 0.000 6.096 0.000) 6.096 12.161 ( 0.000 7.867 0.000) 7.867 12.219 ( 0.000 -4.202 0.000) 4.202 12.387 ( 0.000 5.666 0.000) 5.666 13.048 ( 0.000 2.560 0.000) 2.560 13.112 ( 0.000 -1.508 0.000) 1.508 13.258 ( 0.000 11.054 0.000) 11.054 13.413 ( 0.000 -20.799 0.000) 20.799 13.507 ( 0.000 -18.997 0.000) 18.997 14.519 ( 0.000 -20.155 0.000) 20.155 14.907 ( 0.000 5.436 0.000) 5.436 15.668 ( 0.000 -19.365 0.000) 19.365 16.464 ( 0.000 1.909 0.000) 1.909 16.622 ( 0.000 16.012 0.000) 16.012 16.977 ( 0.000 -6.732 0.000) 6.732 16.980 ( 0.000 -2.926 0.000) 2.926 17.141 ( 0.000 -12.240 0.000) 12.240 17.513 ( 0.000 -8.898 0.000) 8.898 17.540 ( 0.000 1.533 0.000) 1.533 17.608 ( 0.000 0.707 0.000) 0.707 17.687 ( 0.000 -1.860 0.000) 1.860 17.794 ( 0.000 8.027 0.000) 8.027 17.808 ( 0.000 -4.741 0.000) 4.741 17.855 ( 0.000 5.276 0.000) 5.276 18.012 ( 0.000 3.118 0.000) 3.118 18.048 ( 0.000 -0.442 0.000) 0.442 18.124 ( 0.000 -4.605 0.000) 4.605 18.218 ( 0.000 0.473 0.000) 0.473 18.302 ( 0.000 16.050 0.000) 16.050 18.349 ( 0.000 9.954 0.000) 9.954 18.553 ( 0.000 9.331 0.000) 9.331 18.637 ( 0.000 3.575 0.000) 3.575 18.641 ( 0.000 -4.414 0.000) 4.414 18.822 ( 0.000 1.881 0.000) 1.881 24.346 ( 0.000 0.726 0.000) 0.726 24.372 ( 0.000 -0.056 0.000) 0.056 24.438 ( 0.000 0.492 0.000) 0.492 24.451 ( 0.000 -0.011 0.000) 0.011 24.471 ( 0.000 0.011 0.000) 0.011 24.472 ( 0.000 0.009 0.000) 0.009 24.532 ( 0.000 2.738 0.000) 2.738 24.580 ( 0.000 1.683 0.000) 1.683 24.629 ( 0.000 0.326 0.000) 0.326 24.655 ( 0.000 -0.653 0.000) 0.653 24.747 ( 0.000 -0.055 0.000) 0.055 24.759 ( 0.000 -0.422 0.000) 0.422 24.762 ( 0.000 0.098 0.000) 0.098 24.763 ( 0.000 0.111 0.000) 0.111 24.953 ( 0.000 1.868 0.000) 1.868 24.990 ( 0.000 0.666 0.000) 0.666 25.345 ( 0.000 2.812 0.000) 2.812 25.750 ( 0.000 4.355 0.000) 4.355 25.755 ( 0.000 3.528 0.000) 3.528 25.762 ( 0.000 -8.659 0.000) 8.659 26.044 ( 0.000 -0.588 0.000) 0.588 26.107 ( 0.000 -6.794 0.000) 6.794 26.358 ( 0.000 0.337 0.000) 0.337 26.381 ( 0.000 6.217 0.000) 6.217 26.518 ( 0.000 -2.251 0.000) 2.251 26.603 ( 0.000 4.705 0.000) 4.705 26.666 ( 0.000 -1.722 0.000) 1.722 26.887 ( 0.000 -1.720 0.000) 1.720 26.983 ( 0.000 -4.099 0.000) 4.099 27.012 ( 0.000 4.515 0.000) 4.515 27.050 ( 0.000 -7.523 0.000) 7.523 27.315 ( 0.000 -4.252 0.000) 4.252 ======================= Grid point 10 (7/30) ======================= q-point: ( 0.11 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 24.959 5.194 0.000) 25.494 1.115 ( 30.986 19.861 0.000) 36.805 1.279 ( 27.870 17.022 0.000) 32.657 1.348 ( 20.007 32.836 0.000) 38.451 1.757 ( 45.200 15.307 0.000) 47.721 1.836 ( 7.816 5.402 0.000) 9.501 1.936 ( 4.665 -8.042 0.000) 9.297 1.957 ( -5.155 -8.701 0.000) 10.114 2.145 ( 6.498 7.875 0.000) 10.209 2.244 ( 18.070 -11.145 0.000) 21.230 2.273 ( -6.593 -5.065 0.000) 8.314 2.471 ( 8.390 -0.080 0.000) 8.391 2.518 ( -0.938 5.867 0.000) 5.942 2.552 ( 4.303 5.578 0.000) 7.045 2.565 ( 5.332 2.012 0.000) 5.699 2.577 ( 9.317 1.035 0.000) 9.374 2.634 ( 10.422 6.479 0.000) 12.271 2.691 ( 6.554 -0.728 0.000) 6.594 2.741 ( 3.289 4.781 0.000) 5.803 2.832 ( -2.227 0.191 0.000) 2.236 2.832 ( 7.298 6.016 0.000) 9.458 2.885 ( 5.204 11.070 0.000) 12.232 2.911 ( 1.013 -0.925 0.000) 1.372 2.990 ( 0.733 -4.264 0.000) 4.327 3.051 ( 4.490 9.925 0.000) 10.893 3.122 ( -0.371 1.566 0.000) 1.610 3.187 ( -6.261 6.918 0.000) 9.330 3.300 ( -1.056 8.425 0.000) 8.491 3.329 ( 6.276 -3.736 0.000) 7.304 3.363 ( 5.426 5.325 0.000) 7.603 3.418 ( 3.330 -2.195 0.000) 3.989 3.431 ( 6.265 -5.051 0.000) 8.047 3.518 ( -1.915 -1.074 0.000) 2.196 3.553 ( -8.836 13.938 0.000) 16.503 3.594 ( -1.750 -3.065 0.000) 3.529 3.685 ( 9.730 -2.877 0.000) 10.146 3.739 ( -2.113 2.596 0.000) 3.347 3.820 ( 0.219 -8.274 0.000) 8.277 3.829 ( -2.422 -6.444 0.000) 6.884 3.935 ( 4.768 0.251 0.000) 4.775 3.970 ( -8.265 -0.849 0.000) 8.309 4.014 ( 0.966 2.164 0.000) 2.370 4.037 ( -0.020 3.633 0.000) 3.633 4.046 ( 0.166 -0.052 0.000) 0.174 4.138 ( 1.058 4.997 0.000) 5.108 4.183 ( -4.129 2.287 0.000) 4.720 4.217 ( 0.635 2.239 0.000) 2.327 4.223 ( 0.272 1.514 0.000) 1.539 4.277 ( -6.348 2.128 0.000) 6.696 4.326 ( 4.806 5.487 0.000) 7.295 4.346 ( 4.283 2.980 0.000) 5.218 4.452 ( -0.392 9.523 0.000) 9.531 4.471 ( 0.350 3.681 0.000) 3.698 4.486 ( 0.133 0.433 0.000) 0.452 4.542 ( 3.634 -3.949 0.000) 5.367 4.557 ( 5.729 3.306 0.000) 6.615 4.598 ( -2.438 8.626 0.000) 8.964 4.620 ( 1.897 5.869 0.000) 6.168 4.659 ( 2.013 1.129 0.000) 2.308 4.696 ( 3.665 5.195 0.000) 6.357 4.729 ( 0.555 -5.667 0.000) 5.694 4.742 ( 4.537 5.800 0.000) 7.363 4.890 ( 2.249 -4.339 0.000) 4.887 4.918 ( 4.832 1.507 0.000) 5.061 4.954 ( 2.019 -5.394 0.000) 5.760 5.156 ( -0.019 -3.032 0.000) 3.032 5.185 ( 5.975 -3.260 0.000) 6.807 5.247 ( 10.639 -4.920 0.000) 11.722 5.258 ( 0.540 -10.656 0.000) 10.669 5.492 ( -7.887 5.821 0.000) 9.803 5.526 ( 1.037 4.127 0.000) 4.256 5.611 ( -3.039 3.538 0.000) 4.664 5.729 ( 6.010 -15.007 0.000) 16.165 5.743 ( 6.833 3.621 0.000) 7.734 5.781 ( -2.712 10.083 0.000) 10.441 6.159 ( -9.195 -16.354 0.000) 18.762 6.291 ( -8.108 -13.867 0.000) 16.063 6.345 ( 6.167 5.677 0.000) 8.382 6.589 ( -0.744 -9.643 0.000) 9.671 6.598 ( 10.380 -19.940 0.000) 22.480 6.663 ( 4.592 -5.396 0.000) 7.085 6.730 ( -6.661 -23.085 0.000) 24.027 6.810 ( 7.153 -15.843 0.000) 17.383 7.160 ( -11.465 -9.644 0.000) 14.982 7.203 ( 14.765 -9.748 0.000) 17.692 7.425 ( -4.141 -27.319 0.000) 27.631 7.454 ( 2.217 7.417 0.000) 7.742 7.551 ( -2.788 6.785 0.000) 7.335 7.892 ( -4.228 1.558 0.000) 4.506 7.897 ( -3.157 -5.807 0.000) 6.610 8.031 ( 6.329 5.722 0.000) 8.532 8.124 ( 2.827 1.139 0.000) 3.047 8.319 ( -1.056 -4.116 0.000) 4.249 8.405 ( -0.255 17.887 0.000) 17.889 8.479 ( -1.688 9.524 0.000) 9.672 8.784 ( 14.966 1.482 0.000) 15.039 8.961 ( 0.445 19.790 0.000) 19.795 8.978 ( -2.097 7.478 0.000) 7.767 9.034 ( -4.152 2.052 0.000) 4.631 9.059 ( 3.232 -0.778 0.000) 3.324 9.353 ( -12.161 -0.417 0.000) 12.168 9.415 ( -0.493 -10.565 0.000) 10.576 9.531 ( 5.861 -3.897 0.000) 7.038 9.707 ( -7.802 0.590 0.000) 7.825 9.800 ( 5.409 2.916 0.000) 6.145 9.811 ( 3.587 -5.416 0.000) 6.496 9.950 ( 6.723 0.249 0.000) 6.727 9.983 ( -0.082 -5.285 0.000) 5.286 10.177 ( -2.406 -4.311 0.000) 4.937 10.235 ( -0.871 -2.794 0.000) 2.926 10.370 ( -2.718 3.203 0.000) 4.201 10.427 ( -1.034 2.785 0.000) 2.971 10.576 ( -2.184 3.876 0.000) 4.449 10.716 ( -3.299 0.163 0.000) 3.303 10.851 ( -4.693 9.422 0.000) 10.526 10.875 ( -4.900 8.135 0.000) 9.496 11.006 ( -3.297 11.901 0.000) 12.350 11.185 ( -11.081 6.572 0.000) 12.883 11.253 ( -9.498 3.954 0.000) 10.288 11.435 ( 0.939 -0.386 0.000) 1.015 11.467 ( -5.519 -2.035 0.000) 5.882 11.580 ( -6.734 -0.931 0.000) 6.798 11.622 ( -4.930 -6.784 0.000) 8.387 11.709 ( -4.000 -0.537 0.000) 4.036 11.780 ( -9.378 6.030 0.000) 11.150 11.819 ( -0.718 0.519 0.000) 0.886 11.846 ( -1.942 2.755 0.000) 3.370 12.170 ( -4.806 -3.887 0.000) 6.181 12.337 ( 15.917 6.789 0.000) 17.305 12.502 ( 18.814 9.734 0.000) 21.182 13.123 ( 12.926 9.274 0.000) 15.908 13.296 ( -10.901 -15.675 0.000) 19.093 13.311 ( -12.749 -9.486 0.000) 15.891 13.452 ( 17.105 -0.952 0.000) 17.131 13.559 ( 13.784 0.766 0.000) 13.805 14.600 ( 8.220 -19.688 0.000) 21.335 14.651 ( -22.788 6.315 0.000) 23.647 15.487 ( -15.803 -20.650 0.000) 26.003 16.347 ( -10.626 4.392 0.000) 11.498 16.437 ( -13.014 8.282 0.000) 15.426 16.545 ( -28.468 2.252 0.000) 28.557 16.808 ( -26.639 -4.542 0.000) 27.024 16.832 ( -11.282 -7.412 0.000) 13.498 17.349 ( -10.496 -10.068 0.000) 14.544 17.624 ( 3.257 3.983 0.000) 5.145 17.645 ( 5.669 -1.701 0.000) 5.919 17.763 ( -0.161 2.417 0.000) 2.422 17.818 ( 9.627 -1.489 0.000) 9.742 17.860 ( 4.620 -5.105 0.000) 6.885 17.893 ( 2.670 0.962 0.000) 2.838 18.107 ( 3.162 -3.054 0.000) 4.396 18.139 ( 10.958 3.527 0.000) 11.512 18.266 ( -2.186 12.020 0.000) 12.217 18.350 ( 4.783 2.138 0.000) 5.239 18.406 ( 18.341 -4.270 0.000) 18.831 18.484 ( 11.222 6.084 0.000) 12.765 18.655 ( 2.584 -1.700 0.000) 3.093 18.728 ( 13.190 8.480 0.000) 15.681 18.794 ( -2.363 1.901 0.000) 3.033 18.815 ( 14.005 3.471 0.000) 14.429 24.340 ( -0.510 0.719 0.000) 0.881 24.367 ( -0.477 -0.069 0.000) 0.482 24.418 ( -1.258 0.828 0.000) 1.506 24.450 ( -0.567 0.026 0.000) 0.567 24.469 ( 0.337 1.546 0.000) 1.582 24.503 ( -2.386 2.249 0.000) 3.279 24.520 ( 1.385 -0.903 0.000) 1.653 24.603 ( -3.722 -0.505 0.000) 3.756 24.637 ( 4.645 0.828 0.000) 4.718 24.663 ( 3.211 0.439 0.000) 3.241 24.708 ( -0.017 3.126 0.000) 3.126 24.765 ( 0.638 -0.447 0.000) 0.779 24.802 ( 3.156 0.211 0.000) 3.163 24.813 ( 3.495 -0.038 0.000) 3.495 24.957 ( 0.167 1.432 0.000) 1.442 24.978 ( -1.068 0.712 0.000) 1.284 25.408 ( 6.044 3.120 0.000) 6.802 25.786 ( 3.672 3.154 0.000) 4.841 25.815 ( 4.785 -7.192 0.000) 8.639 25.886 ( 7.786 -0.965 0.000) 7.846 26.064 ( 1.901 -0.855 0.000) 2.084 26.128 ( 2.185 -5.323 0.000) 5.754 26.360 ( -1.510 5.516 0.000) 5.719 26.372 ( 1.492 0.519 0.000) 1.579 26.517 ( 0.001 -2.049 0.000) 2.049 26.598 ( -0.294 3.854 0.000) 3.865 26.636 ( -2.971 -1.644 0.000) 3.395 26.835 ( -3.975 -1.488 0.000) 4.244 26.946 ( -3.333 -1.262 0.000) 3.564 26.977 ( -4.463 -0.470 0.000) 4.487 26.982 ( -6.067 -6.543 0.000) 8.923 27.201 ( -7.727 -0.692 0.000) 7.758 ======================= Grid point 11 (8/30) ======================= q-point: ( 0.22 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 16.658 -8.901 0.000) 18.887 1.521 ( 11.452 19.278 0.000) 22.423 1.656 ( 7.456 13.608 0.000) 15.516 1.757 ( -9.755 -16.299 0.000) 18.995 1.796 ( 21.798 -1.145 0.000) 21.828 1.948 ( -1.202 -6.696 0.000) 6.803 2.114 ( 11.838 -1.251 0.000) 11.904 2.177 ( -3.236 15.572 0.000) 15.904 2.270 ( 4.819 11.639 0.000) 12.597 2.393 ( -1.808 10.926 0.000) 11.074 2.475 ( 8.110 -0.701 0.000) 8.140 2.535 ( 1.862 -4.879 0.000) 5.222 2.598 ( -2.258 1.669 0.000) 2.808 2.647 ( 19.799 10.479 0.000) 22.401 2.688 ( 1.193 -1.989 0.000) 2.320 2.697 ( 1.770 10.460 0.000) 10.609 2.793 ( 7.392 -0.115 0.000) 7.393 2.851 ( 6.054 6.972 0.000) 9.233 2.860 ( 1.772 0.106 0.000) 1.775 2.906 ( -2.653 9.949 0.000) 10.297 2.913 ( 11.897 1.288 0.000) 11.967 2.977 ( 7.804 6.686 0.000) 10.276 3.024 ( -7.026 5.159 0.000) 8.716 3.060 ( 3.421 4.565 0.000) 5.705 3.081 ( 12.107 3.108 0.000) 12.500 3.150 ( -0.857 12.135 0.000) 12.166 3.226 ( 8.249 2.427 0.000) 8.598 3.308 ( -7.913 13.066 0.000) 15.275 3.341 ( 2.774 0.335 0.000) 2.794 3.349 ( -6.050 7.101 0.000) 9.328 3.393 ( 3.427 -5.597 0.000) 6.563 3.439 ( 1.013 -1.770 0.000) 2.039 3.586 ( 8.386 1.189 0.000) 8.470 3.613 ( 7.775 2.095 0.000) 8.053 3.644 ( -0.630 1.896 0.000) 1.998 3.733 ( -3.099 2.030 0.000) 3.704 3.775 ( -8.871 0.965 0.000) 8.923 3.777 ( 6.045 -5.135 0.000) 7.932 3.798 ( -0.886 -2.756 0.000) 2.895 3.916 ( 7.456 0.177 0.000) 7.459 3.999 ( -12.235 1.871 0.000) 12.378 4.001 ( 1.927 -5.438 0.000) 5.769 4.019 ( 0.842 0.000 0.000) 0.842 4.123 ( 9.168 3.986 0.000) 9.997 4.156 ( -0.911 9.854 0.000) 9.896 4.159 ( 6.062 -3.634 0.000) 7.068 4.221 ( 3.143 -4.691 0.000) 5.647 4.250 ( 4.373 2.925 0.000) 5.261 4.273 ( 5.338 0.016 0.000) 5.338 4.354 ( -4.063 3.200 0.000) 5.172 4.400 ( 0.317 3.164 0.000) 3.180 4.437 ( 0.651 7.799 0.000) 7.826 4.458 ( 3.445 5.886 0.000) 6.820 4.522 ( 0.511 4.179 0.000) 4.210 4.627 ( 7.237 2.261 0.000) 7.582 4.627 ( -2.084 -0.781 0.000) 2.225 4.663 ( 3.761 -3.112 0.000) 4.882 4.697 ( 3.778 -0.751 0.000) 3.852 4.773 ( 3.761 2.465 0.000) 4.497 4.782 ( 1.182 0.418 0.000) 1.254 4.820 ( 11.562 -0.443 0.000) 11.571 4.872 ( 11.320 6.635 0.000) 13.121 4.981 ( 7.892 -5.871 0.000) 9.836 4.982 ( 0.238 0.625 0.000) 0.669 5.066 ( 7.521 0.927 0.000) 7.578 5.142 ( -1.497 -1.756 0.000) 2.308 5.281 ( 7.243 -7.865 0.000) 10.692 5.283 ( 6.812 -9.035 0.000) 11.315 5.363 ( 19.724 -0.826 0.000) 19.742 5.472 ( -5.849 0.338 0.000) 5.859 5.545 ( 1.291 4.274 0.000) 4.464 5.715 ( 8.742 -8.621 0.000) 12.277 5.814 ( 6.550 2.669 0.000) 7.073 5.935 ( 9.649 -19.930 0.000) 22.143 5.968 ( 10.759 2.628 0.000) 11.075 5.984 ( -6.936 -17.702 0.000) 19.012 6.159 ( 9.634 -6.446 0.000) 11.592 6.382 ( -4.507 -8.729 0.000) 9.823 6.538 ( -1.130 -10.721 0.000) 10.780 6.705 ( 5.182 -2.190 0.000) 5.626 6.826 ( 5.083 14.692 0.000) 15.546 6.834 ( 10.540 -22.351 0.000) 24.711 6.942 ( -7.916 -3.573 0.000) 8.685 6.997 ( 6.080 -9.512 0.000) 11.289 7.314 ( -5.090 -22.897 0.000) 23.455 7.314 ( 4.654 -1.572 0.000) 4.912 7.604 ( 20.278 -1.253 0.000) 20.317 7.716 ( 11.343 -3.764 0.000) 11.952 7.718 ( -12.851 6.098 0.000) 14.225 7.821 ( -1.022 -5.109 0.000) 5.210 8.189 ( 4.987 2.089 0.000) 5.406 8.197 ( -9.263 -5.554 0.000) 10.800 8.296 ( 9.260 -1.368 0.000) 9.361 8.352 ( -0.504 8.631 0.000) 8.646 8.449 ( -1.873 10.223 0.000) 10.393 8.755 ( -17.980 0.518 0.000) 17.987 8.931 ( 0.155 13.616 0.000) 13.617 8.967 ( -1.728 10.537 0.000) 10.678 9.149 ( 11.071 -4.017 0.000) 11.777 9.169 ( 10.199 -1.382 0.000) 10.293 9.246 ( -1.650 -1.638 0.000) 2.325 9.389 ( -0.133 -6.117 0.000) 6.119 9.461 ( -13.210 6.364 0.000) 14.664 9.651 ( 3.872 -6.171 0.000) 7.285 9.727 ( -10.527 -14.400 0.000) 17.837 9.938 ( 5.838 1.826 0.000) 6.116 9.985 ( 3.129 -3.232 0.000) 4.499 10.075 ( 5.146 -2.052 0.000) 5.540 10.191 ( -1.692 4.792 0.000) 5.082 10.231 ( 0.884 -0.018 0.000) 0.884 10.279 ( -7.252 8.273 0.000) 11.001 10.387 ( -3.749 3.954 0.000) 5.448 10.515 ( -3.387 8.989 0.000) 9.606 10.653 ( -5.139 -2.308 0.000) 5.634 10.747 ( -7.621 2.775 0.000) 8.111 10.758 ( -6.095 7.179 0.000) 9.418 10.916 ( -1.558 10.703 0.000) 10.816 10.951 ( -8.147 10.095 0.000) 12.972 11.019 ( -9.701 9.945 0.000) 13.893 11.264 ( -20.717 -2.241 0.000) 20.837 11.311 ( -14.342 -2.483 0.000) 14.555 11.368 ( -5.508 -2.957 0.000) 6.252 11.551 ( -2.167 0.923 0.000) 2.355 11.647 ( -3.543 -2.352 0.000) 4.253 11.655 ( -2.395 -5.769 0.000) 6.246 11.709 ( -6.964 0.203 0.000) 6.967 11.890 ( 1.932 -1.769 0.000) 2.619 12.028 ( -8.686 -3.936 0.000) 9.536 12.683 ( 10.037 4.005 0.000) 10.806 12.928 ( -19.440 0.768 0.000) 19.456 12.987 ( 23.778 3.907 0.000) 24.097 13.068 ( -3.628 -5.321 0.000) 6.440 13.372 ( 8.056 9.820 0.000) 12.702 13.770 ( 15.386 1.117 0.000) 15.426 13.960 ( 24.585 4.722 0.000) 25.034 14.102 ( -28.085 8.849 0.000) 29.446 14.860 ( 17.181 -18.214 0.000) 25.039 15.122 ( -17.988 -22.949 0.000) 29.158 15.941 ( -29.396 5.433 0.000) 29.894 15.983 ( -21.574 10.796 0.000) 24.124 16.210 ( -23.763 2.896 0.000) 23.939 16.376 ( -0.302 -6.828 0.000) 6.835 16.707 ( -0.835 -18.236 0.000) 18.255 17.096 ( -14.456 -14.297 0.000) 20.332 17.676 ( 2.138 7.946 0.000) 8.228 17.775 ( 1.192 2.352 0.000) 2.637 17.829 ( 11.220 -4.835 0.000) 12.218 17.936 ( 2.932 -2.139 0.000) 3.630 17.948 ( 5.046 -1.388 0.000) 5.234 18.034 ( 8.164 -1.962 0.000) 8.397 18.107 ( -2.557 2.071 0.000) 3.290 18.233 ( -0.766 7.179 0.000) 7.220 18.352 ( -2.701 1.445 0.000) 3.063 18.379 ( 10.252 6.593 0.000) 12.189 18.611 ( 0.531 -2.692 0.000) 2.744 18.736 ( 12.417 -5.006 0.000) 13.388 18.753 ( 4.334 4.233 0.000) 6.059 18.815 ( 4.993 5.039 0.000) 7.094 18.954 ( 7.447 7.261 0.000) 10.401 19.067 ( 8.698 2.674 0.000) 9.100 24.330 ( -0.429 0.692 0.000) 0.814 24.356 ( -0.445 -0.073 0.000) 0.451 24.390 ( -1.388 1.041 0.000) 1.735 24.427 ( -1.416 0.044 0.000) 1.417 24.450 ( -2.620 1.636 0.000) 3.089 24.453 ( -1.822 2.555 0.000) 3.138 24.526 ( -3.595 -0.424 0.000) 3.619 24.530 ( -0.638 -0.306 0.000) 0.708 24.722 ( 3.693 0.392 0.000) 3.714 24.746 ( 4.131 0.548 0.000) 4.168 24.768 ( 4.614 1.060 0.000) 4.735 24.794 ( 2.284 -0.243 0.000) 2.297 24.861 ( 2.141 0.234 0.000) 2.154 24.878 ( 2.617 -0.178 0.000) 2.623 24.948 ( -1.298 0.849 0.000) 1.551 24.956 ( -0.778 0.662 0.000) 1.022 25.582 ( 10.556 3.382 0.000) 11.084 25.895 ( 6.851 2.957 0.000) 7.462 25.944 ( 7.445 -6.330 0.000) 9.772 26.038 ( 7.419 0.515 0.000) 7.437 26.121 ( 3.592 -1.084 0.000) 3.752 26.193 ( 3.904 -3.135 0.000) 5.006 26.332 ( -1.024 3.089 0.000) 3.254 26.422 ( 3.471 0.446 0.000) 3.500 26.524 ( 0.818 -1.574 0.000) 1.774 26.550 ( -5.277 -1.309 0.000) 5.437 26.597 ( 0.326 1.947 0.000) 1.974 26.732 ( -6.421 -2.464 0.000) 6.878 26.834 ( -7.736 -4.346 0.000) 8.873 26.837 ( -6.670 -4.020 0.000) 7.788 26.875 ( -4.493 3.426 0.000) 5.651 27.046 ( -7.474 -1.222 0.000) 7.573 ======================= Grid point 12 (9/30) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( -1.936 2.374 0.000) 3.063 1.596 ( -1.243 -8.743 0.000) 8.831 1.627 ( 14.370 -8.966 0.000) 16.938 1.840 ( 2.880 -4.002 0.000) 4.931 1.914 ( -6.931 0.535 0.000) 6.951 1.962 ( 4.469 27.114 0.000) 27.480 2.090 ( -1.705 7.946 0.000) 8.127 2.295 ( -3.491 9.630 0.000) 10.244 2.339 ( 3.099 7.414 0.000) 8.036 2.425 ( -7.112 0.055 0.000) 7.112 2.496 ( 1.417 8.061 0.000) 8.184 2.571 ( -2.619 -2.433 0.000) 3.575 2.589 ( 10.623 5.567 0.000) 11.994 2.617 ( -2.545 20.924 0.000) 21.078 2.721 ( -2.642 4.282 0.000) 5.032 2.747 ( -3.710 -0.445 0.000) 3.736 2.794 ( -0.598 5.053 0.000) 5.088 2.799 ( -2.076 2.801 0.000) 3.486 2.855 ( -3.364 4.980 0.000) 6.010 2.954 ( 3.791 -5.950 0.000) 7.055 2.971 ( -1.339 -0.367 0.000) 1.388 3.030 ( -2.236 2.948 0.000) 3.699 3.088 ( 1.950 8.345 0.000) 8.569 3.110 ( 6.758 4.325 0.000) 8.023 3.123 ( -2.837 2.496 0.000) 3.779 3.170 ( -1.859 2.346 0.000) 2.993 3.239 ( -2.228 5.630 0.000) 6.054 3.240 ( 0.121 -4.042 0.000) 4.044 3.363 ( -2.790 -6.721 0.000) 7.277 3.378 ( 0.953 8.764 0.000) 8.816 3.492 ( 4.541 1.544 0.000) 4.797 3.505 ( -4.942 -1.428 0.000) 5.144 3.539 ( 7.542 1.952 0.000) 7.791 3.560 ( -5.837 1.416 0.000) 6.006 3.664 ( -1.780 5.697 0.000) 5.968 3.680 ( 0.038 3.477 0.000) 3.477 3.792 ( 5.144 -1.712 0.000) 5.421 3.841 ( -0.560 2.895 0.000) 2.948 3.905 ( 1.462 4.986 0.000) 5.196 3.948 ( 2.574 -1.922 0.000) 3.212 4.028 ( 2.263 -10.900 0.000) 11.133 4.032 ( 6.466 7.008 0.000) 9.535 4.093 ( -6.076 6.190 0.000) 8.673 4.110 ( 2.274 1.345 0.000) 2.642 4.190 ( 10.805 5.114 0.000) 11.954 4.256 ( 2.214 4.901 0.000) 5.378 4.274 ( 0.304 -3.537 0.000) 3.550 4.324 ( -3.240 2.834 0.000) 4.305 4.328 ( 2.822 2.985 0.000) 4.107 4.387 ( -1.351 -0.799 0.000) 1.569 4.396 ( 2.742 2.333 0.000) 3.600 4.520 ( 2.960 -0.757 0.000) 3.055 4.523 ( -4.299 -1.623 0.000) 4.595 4.555 ( 1.077 -2.067 0.000) 2.330 4.578 ( 6.920 1.644 0.000) 7.113 4.663 ( 6.328 0.907 0.000) 6.392 4.672 ( -3.554 2.947 0.000) 4.617 4.776 ( 1.303 -0.169 0.000) 1.314 4.805 ( 2.773 3.013 0.000) 4.094 4.831 ( 5.293 0.709 0.000) 5.340 5.022 ( 5.625 -2.734 0.000) 6.254 5.063 ( 6.838 2.346 0.000) 7.229 5.126 ( 6.333 -5.191 0.000) 8.188 5.137 ( 6.106 2.111 0.000) 6.461 5.151 ( 15.791 -1.205 0.000) 15.836 5.237 ( -2.294 -6.215 0.000) 6.625 5.371 ( -3.373 -2.143 0.000) 3.996 5.482 ( 5.767 -6.095 0.000) 8.391 5.609 ( 4.686 3.010 0.000) 5.570 5.614 ( 17.891 -2.509 0.000) 18.066 5.688 ( -0.725 -8.772 0.000) 8.802 5.740 ( 6.541 -9.698 0.000) 11.697 5.840 ( -2.899 -3.226 0.000) 4.337 6.076 ( 28.872 -10.260 0.000) 30.641 6.155 ( 9.148 -17.976 0.000) 20.169 6.293 ( 2.110 -8.432 0.000) 8.692 6.388 ( 18.371 3.645 0.000) 18.729 6.639 ( 24.759 -0.044 0.000) 24.759 6.661 ( 5.815 -6.827 0.000) 8.968 6.680 ( -2.793 15.993 0.000) 16.235 6.766 ( 5.768 2.923 0.000) 6.466 6.946 ( 8.512 -4.343 0.000) 9.556 7.037 ( 7.297 -9.831 0.000) 12.243 7.111 ( 5.474 1.870 0.000) 5.785 7.237 ( -6.558 -8.988 0.000) 11.126 7.498 ( -2.879 2.954 0.000) 4.125 7.629 ( 14.109 -17.668 0.000) 22.610 7.834 ( 0.990 -13.779 0.000) 13.815 7.848 ( 3.368 -9.557 0.000) 10.133 7.943 ( -14.184 -4.288 0.000) 14.818 8.112 ( 26.021 -6.307 0.000) 26.774 8.236 ( 8.490 -2.117 0.000) 8.750 8.367 ( -4.131 14.416 0.000) 14.996 8.468 ( 1.755 8.953 0.000) 9.123 8.472 ( 5.332 -0.582 0.000) 5.364 8.530 ( 3.444 -3.155 0.000) 4.670 8.893 ( -4.168 2.212 0.000) 4.718 8.924 ( -0.994 -1.312 0.000) 1.646 8.981 ( -16.159 8.693 0.000) 18.349 9.206 ( -2.069 -5.371 0.000) 5.756 9.305 ( -0.346 3.628 0.000) 3.644 9.381 ( -0.516 -6.216 0.000) 6.238 9.539 ( 7.348 -5.410 0.000) 9.125 9.614 ( -3.945 -6.381 0.000) 7.502 9.636 ( 3.079 -1.539 0.000) 3.442 9.893 ( -14.072 -0.450 0.000) 14.079 9.963 ( -6.757 -0.488 0.000) 6.774 10.075 ( -7.667 10.668 0.000) 13.137 10.077 ( -7.928 12.489 0.000) 14.793 10.170 ( -1.337 6.710 0.000) 6.842 10.247 ( -2.947 8.423 0.000) 8.924 10.305 ( -3.151 1.772 0.000) 3.615 10.324 ( -15.853 2.487 0.000) 16.047 10.494 ( -8.979 5.827 0.000) 10.704 10.536 ( 1.398 1.790 0.000) 2.271 10.735 ( -13.371 9.080 0.000) 16.162 10.758 ( -6.021 3.597 0.000) 7.013 10.820 ( -6.197 5.413 0.000) 8.228 10.947 ( -4.525 8.031 0.000) 9.218 11.050 ( -3.442 -6.654 0.000) 7.492 11.091 ( 10.166 4.573 0.000) 11.147 11.244 ( -5.931 -3.197 0.000) 6.738 11.507 ( -2.601 -1.978 0.000) 3.268 11.514 ( -10.070 -3.337 0.000) 10.609 11.596 ( -1.561 -7.473 0.000) 7.635 11.601 ( -4.660 -8.198 0.000) 9.430 11.833 ( -9.878 -4.725 0.000) 10.950 11.870 ( -4.199 -5.815 0.000) 7.172 12.549 ( -12.332 10.548 0.000) 16.228 12.566 ( -13.960 14.164 0.000) 19.887 13.286 ( 2.415 14.797 0.000) 14.993 13.360 ( 21.729 -8.847 0.000) 23.461 13.602 ( -19.119 12.485 0.000) 22.834 13.613 ( 18.429 -10.834 0.000) 21.377 14.113 ( 16.186 -4.115 0.000) 16.700 14.457 ( 23.591 4.637 0.000) 24.042 14.802 ( -12.964 -23.084 0.000) 26.475 15.278 ( 20.631 -15.063 0.000) 25.545 15.398 ( -20.254 13.394 0.000) 24.282 15.524 ( -22.412 8.422 0.000) 23.942 15.748 ( -20.177 16.517 0.000) 26.076 16.499 ( 9.096 -19.147 0.000) 21.198 16.748 ( 3.218 -27.060 0.000) 27.250 16.754 ( -19.168 -15.920 0.000) 24.917 17.722 ( 2.577 9.381 0.000) 9.729 17.817 ( 3.184 4.459 0.000) 5.479 17.929 ( -2.091 1.603 0.000) 2.634 18.033 ( 4.211 2.584 0.000) 4.941 18.066 ( 6.205 -1.846 0.000) 6.474 18.138 ( 5.036 0.034 0.000) 5.036 18.153 ( 3.363 -1.309 0.000) 3.609 18.218 ( -0.989 6.638 0.000) 6.711 18.280 ( 0.461 4.107 0.000) 4.132 18.516 ( 3.157 7.597 0.000) 8.227 18.651 ( 3.843 -6.941 0.000) 7.933 18.804 ( 1.140 4.354 0.000) 4.501 18.874 ( 0.620 4.758 0.000) 4.798 18.880 ( 1.763 -3.397 0.000) 3.827 19.017 ( -1.174 4.548 0.000) 4.697 19.141 ( -1.069 1.564 0.000) 1.895 24.327 ( 0.240 0.691 0.000) 0.732 24.354 ( 0.316 -0.063 0.000) 0.322 24.365 ( -1.028 0.999 0.000) 1.434 24.400 ( -2.180 1.259 0.000) 2.518 24.400 ( -1.103 0.253 0.000) 1.132 24.411 ( -2.034 1.820 0.000) 2.729 24.460 ( -2.841 -0.354 0.000) 2.863 24.490 ( -2.933 -0.412 0.000) 2.962 24.794 ( 3.255 0.352 0.000) 3.274 24.820 ( 3.034 0.587 0.000) 3.090 24.844 ( 2.341 0.011 0.000) 2.341 24.851 ( 3.140 0.305 0.000) 3.155 24.886 ( 0.444 0.366 0.000) 0.576 24.914 ( 0.799 -0.278 0.000) 0.846 24.920 ( -1.354 0.729 0.000) 1.538 24.936 ( -1.142 0.325 0.000) 1.188 25.815 ( 11.797 2.970 0.000) 12.165 26.052 ( 8.155 2.201 0.000) 8.447 26.100 ( 7.342 -4.797 0.000) 8.770 26.188 ( 6.861 0.657 0.000) 6.892 26.204 ( 4.400 -0.654 0.000) 4.449 26.269 ( 2.562 -0.086 0.000) 2.564 26.319 ( -0.020 -0.646 0.000) 0.646 26.431 ( -5.952 -0.619 0.000) 5.984 26.509 ( 4.803 -0.512 0.000) 4.830 26.553 ( 1.964 -1.283 0.000) 2.346 26.578 ( -8.069 -0.802 0.000) 8.108 26.611 ( 0.661 0.266 0.000) 0.713 26.689 ( -5.902 -1.912 0.000) 6.204 26.725 ( -4.284 -3.040 0.000) 5.253 26.787 ( -4.127 1.697 0.000) 4.462 26.897 ( -7.032 -1.282 0.000) 7.147 ======================= Grid point 13 (10/30) ======================= q-point: ( 0.44 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 4.311 4.134 0.000) 5.973 1.608 ( 3.084 -1.778 0.000) 3.560 1.757 ( -6.009 1.258 0.000) 6.139 1.793 ( -6.036 -0.846 0.000) 6.095 1.949 ( 11.121 10.562 0.000) 15.337 1.986 ( 2.069 18.680 0.000) 18.795 2.151 ( -2.921 11.259 0.000) 11.632 2.153 ( 0.996 14.892 0.000) 14.925 2.280 ( -5.320 7.803 0.000) 9.443 2.322 ( -3.335 1.535 0.000) 3.672 2.409 ( -5.659 4.647 0.000) 7.323 2.468 ( -6.983 6.004 0.000) 9.209 2.596 ( -0.312 6.024 0.000) 6.032 2.616 ( -1.480 6.894 0.000) 7.051 2.709 ( 5.576 10.155 0.000) 11.585 2.729 ( -2.261 2.176 0.000) 3.138 2.731 ( -0.976 -0.915 0.000) 1.338 2.795 ( -2.464 7.619 0.000) 8.007 2.900 ( -1.029 4.403 0.000) 4.522 2.931 ( -4.492 9.134 0.000) 10.179 3.007 ( 2.563 -5.566 0.000) 6.127 3.029 ( 4.839 -8.881 0.000) 10.113 3.085 ( -0.833 -1.071 0.000) 1.357 3.127 ( 2.101 2.197 0.000) 3.040 3.129 ( -4.121 -1.388 0.000) 4.348 3.156 ( -0.294 -0.099 0.000) 0.310 3.260 ( 2.740 -7.915 0.000) 8.376 3.279 ( 2.113 -4.037 0.000) 4.556 3.347 ( 3.116 -2.147 0.000) 3.784 3.351 ( 3.681 -2.223 0.000) 4.300 3.459 ( -4.104 -1.420 0.000) 4.343 3.494 ( -4.474 0.193 0.000) 4.478 3.576 ( 4.615 7.059 0.000) 8.433 3.582 ( 1.097 3.967 0.000) 4.116 3.700 ( 1.234 6.930 0.000) 7.039 3.712 ( -1.017 4.702 0.000) 4.811 3.782 ( 0.235 4.452 0.000) 4.459 3.828 ( -0.927 -0.649 0.000) 1.131 3.941 ( -0.857 2.860 0.000) 2.986 3.973 ( 4.981 1.076 0.000) 5.096 3.990 ( -3.087 7.532 0.000) 8.140 4.079 ( 1.690 -9.533 0.000) 9.682 4.119 ( -0.945 -3.258 0.000) 3.393 4.126 ( 1.205 -1.202 0.000) 1.702 4.201 ( -3.368 0.184 0.000) 3.373 4.238 ( -3.815 2.206 0.000) 4.407 4.274 ( 0.052 0.858 0.000) 0.860 4.276 ( 1.443 1.727 0.000) 2.251 4.341 ( -0.575 0.987 0.000) 1.142 4.394 ( 2.581 -1.049 0.000) 2.786 4.442 ( -7.841 -1.064 0.000) 7.913 4.460 ( -2.527 -0.330 0.000) 2.548 4.557 ( 1.502 0.156 0.000) 1.510 4.592 ( 9.747 4.222 0.000) 10.622 4.606 ( -2.556 0.390 0.000) 2.585 4.688 ( 0.707 1.710 0.000) 1.851 4.806 ( 3.222 -2.150 0.000) 3.874 4.862 ( 1.061 -1.146 0.000) 1.562 4.891 ( 10.253 0.656 0.000) 10.274 4.939 ( 4.058 1.972 0.000) 4.512 5.051 ( -1.789 -0.883 0.000) 1.995 5.119 ( -4.959 -7.153 0.000) 8.704 5.183 ( 6.286 -6.254 0.000) 8.867 5.212 ( 1.739 -6.777 0.000) 6.996 5.276 ( 2.442 3.546 0.000) 4.306 5.299 ( 1.007 -8.452 0.000) 8.512 5.440 ( -5.046 -2.234 0.000) 5.518 5.442 ( -4.881 -1.706 0.000) 5.171 5.586 ( 11.200 8.484 0.000) 14.051 5.692 ( -0.383 5.243 0.000) 5.257 5.795 ( 2.561 4.750 0.000) 5.396 5.802 ( 2.097 6.391 0.000) 6.727 6.117 ( 11.356 1.611 0.000) 11.470 6.257 ( -4.638 6.943 0.000) 8.350 6.431 ( 12.389 -15.483 0.000) 19.829 6.433 ( 5.493 -8.461 0.000) 10.087 6.573 ( 12.517 2.794 0.000) 12.825 6.611 ( -1.870 -19.494 0.000) 19.583 6.774 ( -0.666 -9.210 0.000) 9.234 6.881 ( -13.885 3.676 0.000) 14.363 7.074 ( 1.194 12.643 0.000) 12.700 7.152 ( 4.388 -10.900 0.000) 11.750 7.192 ( 20.659 -6.428 0.000) 21.636 7.257 ( 21.849 4.292 0.000) 22.267 7.295 ( 16.503 -9.222 0.000) 18.905 7.542 ( -0.413 4.926 0.000) 4.943 7.614 ( -14.151 -7.055 0.000) 15.812 7.788 ( 0.053 -8.963 0.000) 8.963 7.884 ( 3.208 -22.527 0.000) 22.754 7.928 ( -2.532 -24.430 0.000) 24.561 8.168 ( -7.100 14.426 0.000) 16.079 8.261 ( -7.868 14.696 0.000) 16.670 8.492 ( 6.441 -12.817 0.000) 14.344 8.567 ( 3.895 -5.627 0.000) 6.844 8.680 ( 14.038 -1.797 0.000) 14.152 8.763 ( 22.769 2.426 0.000) 22.898 8.850 ( -4.526 -10.037 0.000) 11.011 9.003 ( 16.949 -1.762 0.000) 17.040 9.042 ( 19.600 -1.138 0.000) 19.633 9.108 ( -13.351 -3.613 0.000) 13.831 9.134 ( -8.353 3.514 0.000) 9.062 9.263 ( -11.273 -7.880 0.000) 13.754 9.451 ( -13.167 -5.711 0.000) 14.352 9.530 ( -13.754 -5.089 0.000) 14.665 9.610 ( -2.951 10.039 0.000) 10.463 9.695 ( -15.743 7.562 0.000) 17.465 9.763 ( 3.200 10.707 0.000) 11.175 9.870 ( -9.324 14.555 0.000) 17.286 9.915 ( -4.977 17.756 0.000) 18.441 9.966 ( -8.725 14.848 0.000) 17.222 10.167 ( -0.526 1.350 0.000) 1.449 10.186 ( -1.661 1.547 0.000) 2.270 10.283 ( -1.613 4.110 0.000) 4.415 10.315 ( -8.620 0.099 0.000) 8.620 10.533 ( 4.299 8.471 0.000) 9.500 10.608 ( 0.325 4.753 0.000) 4.764 10.739 ( -0.856 2.215 0.000) 2.375 10.766 ( -2.439 3.774 0.000) 4.494 10.947 ( 7.187 3.422 0.000) 7.961 11.095 ( -6.295 1.374 0.000) 6.444 11.139 ( 6.324 -6.510 0.000) 9.076 11.271 ( -2.852 -5.726 0.000) 6.397 11.343 ( 0.935 -5.269 0.000) 5.351 11.434 ( -4.495 -6.406 0.000) 7.826 11.527 ( -0.586 -7.268 0.000) 7.291 11.581 ( -1.662 -7.390 0.000) 7.575 11.670 ( -3.116 -4.026 0.000) 5.091 11.744 ( -6.829 -6.238 0.000) 9.249 12.367 ( -4.426 17.943 0.000) 18.481 12.375 ( -4.922 19.739 0.000) 20.343 13.281 ( -0.321 16.486 0.000) 16.489 13.335 ( -6.844 15.160 0.000) 16.633 13.775 ( 16.066 -22.480 0.000) 27.631 13.903 ( 5.657 -28.093 0.000) 28.657 14.391 ( 11.051 -13.758 0.000) 17.646 14.584 ( -9.046 -19.656 0.000) 21.638 14.897 ( 16.759 12.474 0.000) 20.892 15.067 ( -2.619 25.792 0.000) 25.925 15.122 ( -15.406 20.028 0.000) 25.268 15.357 ( -18.891 15.868 0.000) 24.671 15.802 ( 25.740 -15.399 0.000) 29.995 16.311 ( -23.652 -15.613 0.000) 28.341 16.686 ( 7.665 -27.038 0.000) 28.104 16.779 ( -1.153 -30.467 0.000) 30.488 17.783 ( 3.416 9.024 0.000) 9.649 17.860 ( -3.894 6.910 0.000) 7.932 17.913 ( 6.286 7.942 0.000) 10.129 18.063 ( -7.469 11.994 0.000) 14.129 18.125 ( 3.708 2.872 0.000) 4.690 18.162 ( 1.620 1.022 0.000) 1.915 18.178 ( 0.161 0.452 0.000) 0.480 18.183 ( 0.255 -0.507 0.000) 0.567 18.499 ( 10.422 -2.620 0.000) 10.747 18.545 ( 1.080 4.463 0.000) 4.592 18.701 ( 1.731 -0.157 0.000) 1.738 18.827 ( 2.171 3.149 0.000) 3.825 18.832 ( -6.248 -1.778 0.000) 6.496 18.919 ( -6.752 3.827 0.000) 7.761 18.927 ( 5.840 0.662 0.000) 5.878 19.060 ( -6.023 -0.314 0.000) 6.031 24.340 ( 0.990 0.851 0.000) 1.306 24.352 ( -0.136 0.931 0.000) 0.941 24.365 ( -1.112 1.065 0.000) 1.539 24.369 ( -1.631 1.421 0.000) 2.163 24.374 ( 1.717 -0.123 0.000) 1.722 24.393 ( 0.193 -0.173 0.000) 0.259 24.413 ( -1.651 -0.248 0.000) 1.670 24.426 ( -3.030 -0.266 0.000) 3.042 24.851 ( 2.263 0.362 0.000) 2.292 24.867 ( 1.584 0.880 0.000) 1.812 24.882 ( 1.489 -0.146 0.000) 1.496 24.884 ( -0.703 0.546 0.000) 0.890 24.891 ( -1.327 0.598 0.000) 1.455 24.898 ( 1.489 0.012 0.000) 1.489 24.910 ( -1.302 0.089 0.000) 1.305 24.917 ( -0.489 -0.184 0.000) 0.522 26.045 ( 10.374 1.916 0.000) 10.549 26.210 ( 6.336 0.727 0.000) 6.378 26.225 ( -6.668 0.632 0.000) 6.698 26.232 ( 5.809 -2.640 0.000) 6.381 26.275 ( 0.465 0.215 0.000) 0.512 26.290 ( 3.905 -0.015 0.000) 3.905 26.311 ( -2.374 -1.158 0.000) 2.641 26.384 ( -1.118 -2.234 0.000) 2.498 26.437 ( -1.480 2.435 0.000) 2.849 26.530 ( -5.366 -0.815 0.000) 5.428 26.599 ( 3.291 -2.094 0.000) 3.900 26.632 ( 3.614 -0.165 0.000) 3.617 26.655 ( -2.740 -3.208 0.000) 4.219 26.664 ( 2.799 -0.327 0.000) 2.818 26.706 ( -3.743 0.477 0.000) 3.773 26.763 ( -6.026 -0.720 0.000) 6.069 ======================= Grid point 18 (11/30) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 0.000 22.240 0.000) 22.240 1.078 ( 0.000 25.258 0.000) 25.258 1.197 ( 0.000 4.200 0.000) 4.200 1.338 ( 0.000 13.266 0.000) 13.266 1.696 ( 0.000 -9.014 0.000) 9.014 1.720 ( 0.000 -12.597 0.000) 12.597 1.807 ( 0.000 -7.240 0.000) 7.240 1.904 ( 0.000 -1.854 0.000) 1.854 2.114 ( 0.000 31.558 0.000) 31.558 2.130 ( 0.000 3.741 0.000) 3.741 2.249 ( 0.000 13.223 0.000) 13.223 2.311 ( 0.000 -17.278 0.000) 17.278 2.367 ( 0.000 5.993 0.000) 5.993 2.444 ( 0.000 -8.028 0.000) 8.028 2.485 ( 0.000 -10.050 0.000) 10.050 2.522 ( 0.000 -6.615 0.000) 6.615 2.666 ( 0.000 4.781 0.000) 4.781 2.709 ( 0.000 8.845 0.000) 8.845 2.796 ( 0.000 0.798 0.000) 0.798 2.809 ( 0.000 -11.275 0.000) 11.275 2.818 ( 0.000 3.750 0.000) 3.750 2.866 ( 0.000 -0.542 0.000) 0.542 2.920 ( 0.000 11.197 0.000) 11.197 2.979 ( 0.000 1.803 0.000) 1.803 3.061 ( 0.000 -4.676 0.000) 4.676 3.065 ( 0.000 -6.869 0.000) 6.869 3.261 ( 0.000 10.529 0.000) 10.529 3.290 ( 0.000 1.371 0.000) 1.371 3.367 ( 0.000 4.732 0.000) 4.732 3.370 ( 0.000 -0.701 0.000) 0.701 3.453 ( 0.000 8.073 0.000) 8.073 3.454 ( 0.000 4.503 0.000) 4.503 3.548 ( 0.000 -6.885 0.000) 6.885 3.552 ( 0.000 0.444 0.000) 0.444 3.698 ( 0.000 -0.259 0.000) 0.259 3.716 ( 0.000 -0.910 0.000) 0.910 3.745 ( 0.000 -6.526 0.000) 6.526 3.794 ( 0.000 -4.332 0.000) 4.332 3.819 ( 0.000 7.719 0.000) 7.719 3.895 ( 0.000 10.648 0.000) 10.648 3.954 ( 0.000 -3.311 0.000) 3.311 4.067 ( 0.000 -6.447 0.000) 6.447 4.176 ( 0.000 6.676 0.000) 6.676 4.182 ( 0.000 5.707 0.000) 5.707 4.241 ( 0.000 1.961 0.000) 1.961 4.243 ( 0.000 1.136 0.000) 1.136 4.276 ( 0.000 0.650 0.000) 0.650 4.324 ( 0.000 -1.077 0.000) 1.077 4.331 ( 0.000 -1.275 0.000) 1.275 4.359 ( 0.000 -7.126 0.000) 7.126 4.408 ( 0.000 10.833 0.000) 10.833 4.427 ( 0.000 3.080 0.000) 3.080 4.453 ( 0.000 5.677 0.000) 5.677 4.487 ( 0.000 6.194 0.000) 6.194 4.566 ( 0.000 10.673 0.000) 10.673 4.598 ( 0.000 1.289 0.000) 1.289 4.632 ( 0.000 5.885 0.000) 5.885 4.643 ( 0.000 -1.617 0.000) 1.617 4.648 ( 0.000 2.468 0.000) 2.468 4.672 ( 0.000 -0.623 0.000) 0.623 4.719 ( 0.000 -0.638 0.000) 0.638 4.780 ( 0.000 -9.509 0.000) 9.509 4.892 ( 0.000 0.533 0.000) 0.533 4.908 ( 0.000 4.409 0.000) 4.409 4.960 ( 0.000 -5.507 0.000) 5.507 5.047 ( 0.000 -6.403 0.000) 6.403 5.130 ( 0.000 2.339 0.000) 2.339 5.195 ( 0.000 36.667 0.000) 36.667 5.303 ( 0.000 -16.884 0.000) 16.884 5.315 ( 0.000 14.233 0.000) 14.233 5.623 ( 0.000 -12.353 0.000) 12.353 5.685 ( 0.000 13.853 0.000) 13.853 5.776 ( 0.000 8.874 0.000) 8.874 5.836 ( 0.000 9.958 0.000) 9.958 5.978 ( 0.000 -13.540 0.000) 13.540 6.010 ( 0.000 -46.776 0.000) 46.776 6.046 ( 0.000 -22.855 0.000) 22.855 6.081 ( 0.000 -18.834 0.000) 18.834 6.158 ( 0.000 -8.664 0.000) 8.664 6.180 ( 0.000 -16.846 0.000) 16.846 6.219 ( 0.000 20.729 0.000) 20.729 6.587 ( 0.000 -12.811 0.000) 12.811 6.769 ( 0.000 5.450 0.000) 5.450 6.884 ( 0.000 -6.113 0.000) 6.113 7.015 ( 0.000 -3.607 0.000) 3.607 7.150 ( 0.000 -10.121 0.000) 10.121 7.491 ( 0.000 5.870 0.000) 5.870 7.589 ( 0.000 -4.419 0.000) 4.419 7.820 ( 0.000 3.357 0.000) 3.357 7.930 ( 0.000 -6.121 0.000) 6.121 8.220 ( 0.000 3.355 0.000) 3.355 8.253 ( 0.000 -2.417 0.000) 2.417 8.304 ( 0.000 18.700 0.000) 18.700 8.561 ( 0.000 -5.673 0.000) 5.673 8.564 ( 0.000 3.790 0.000) 3.790 8.628 ( 0.000 -2.619 0.000) 2.619 9.099 ( 0.000 6.253 0.000) 6.253 9.118 ( 0.000 6.809 0.000) 6.809 9.148 ( 0.000 4.760 0.000) 4.760 9.218 ( 0.000 -7.318 0.000) 7.318 9.288 ( 0.000 11.490 0.000) 11.490 9.426 ( 0.000 -4.385 0.000) 4.385 9.485 ( 0.000 1.465 0.000) 1.465 9.610 ( 0.000 -8.699 0.000) 8.699 9.779 ( 0.000 2.839 0.000) 2.839 9.844 ( 0.000 -3.637 0.000) 3.637 9.855 ( 0.000 4.634 0.000) 4.634 9.929 ( 0.000 -1.234 0.000) 1.234 10.125 ( 0.000 -4.236 0.000) 4.236 10.151 ( 0.000 -4.823 0.000) 4.823 10.468 ( 0.000 5.500 0.000) 5.500 10.547 ( 0.000 7.655 0.000) 7.655 10.566 ( 0.000 -3.982 0.000) 3.982 10.692 ( 0.000 -7.096 0.000) 7.096 11.071 ( 0.000 11.344 0.000) 11.344 11.206 ( 0.000 4.052 0.000) 4.052 11.206 ( 0.000 8.367 0.000) 8.367 11.307 ( 0.000 -2.843 0.000) 2.843 11.343 ( 0.000 2.534 0.000) 2.534 11.483 ( 0.000 -1.720 0.000) 1.720 11.510 ( 0.000 1.216 0.000) 1.216 11.600 ( 0.000 2.501 0.000) 2.501 11.613 ( 0.000 -4.946 0.000) 4.946 11.662 ( 0.000 -3.530 0.000) 3.530 11.939 ( 0.000 4.260 0.000) 4.260 11.973 ( 0.000 1.153 0.000) 1.153 12.006 ( 0.000 6.416 0.000) 6.416 12.121 ( 0.000 -6.071 0.000) 6.071 12.431 ( 0.000 22.302 0.000) 22.302 12.594 ( 0.000 17.762 0.000) 17.762 12.929 ( 0.000 -29.578 0.000) 29.578 12.979 ( 0.000 -18.952 0.000) 18.952 13.100 ( 0.000 2.965 0.000) 2.965 13.177 ( 0.000 -8.722 0.000) 8.722 13.574 ( 0.000 23.021 0.000) 23.021 14.056 ( 0.000 -28.005 0.000) 28.005 15.061 ( 0.000 11.445 0.000) 11.445 15.324 ( 0.000 -17.161 0.000) 17.161 16.555 ( 0.000 8.189 0.000) 8.189 16.730 ( 0.000 -7.796 0.000) 7.796 16.899 ( 0.000 -1.256 0.000) 1.256 16.920 ( 0.000 -2.915 0.000) 2.915 17.087 ( 0.000 10.313 0.000) 10.313 17.319 ( 0.000 -12.269 0.000) 12.269 17.582 ( 0.000 2.889 0.000) 2.889 17.639 ( 0.000 -3.129 0.000) 3.129 17.643 ( 0.000 3.131 0.000) 3.131 17.717 ( 0.000 -4.772 0.000) 4.772 17.912 ( 0.000 4.420 0.000) 4.420 17.931 ( 0.000 2.389 0.000) 2.389 18.035 ( 0.000 -0.736 0.000) 0.736 18.051 ( 0.000 -3.001 0.000) 3.001 18.091 ( 0.000 5.014 0.000) 5.014 18.181 ( 0.000 -4.213 0.000) 4.213 18.498 ( 0.000 7.566 0.000) 7.566 18.586 ( 0.000 -2.683 0.000) 2.683 18.612 ( 0.000 13.555 0.000) 13.555 18.688 ( 0.000 4.272 0.000) 4.272 18.700 ( 0.000 2.337 0.000) 2.337 18.791 ( 0.000 -5.667 0.000) 5.667 24.360 ( 0.000 0.684 0.000) 0.684 24.369 ( 0.000 -0.314 0.000) 0.314 24.446 ( 0.000 0.346 0.000) 0.346 24.450 ( 0.000 -0.126 0.000) 0.126 24.472 ( 0.000 0.016 0.000) 0.016 24.472 ( 0.000 -0.002 0.000) 0.002 24.589 ( 0.000 3.022 0.000) 3.022 24.614 ( 0.000 1.631 0.000) 1.631 24.631 ( 0.000 -0.240 0.000) 0.240 24.633 ( 0.000 -1.784 0.000) 1.784 24.746 ( 0.000 0.036 0.000) 0.036 24.751 ( 0.000 -0.428 0.000) 0.428 24.764 ( 0.000 0.087 0.000) 0.087 24.765 ( 0.000 0.051 0.000) 0.051 24.988 ( 0.000 1.518 0.000) 1.518 25.000 ( 0.000 0.173 0.000) 0.173 25.432 ( 0.000 6.819 0.000) 6.819 25.588 ( 0.000 -9.684 0.000) 9.684 25.846 ( 0.000 6.273 0.000) 6.273 25.856 ( 0.000 6.871 0.000) 6.871 25.974 ( 0.000 -7.425 0.000) 7.425 25.980 ( 0.000 -5.922 0.000) 5.922 26.394 ( 0.000 3.347 0.000) 3.347 26.462 ( 0.000 -3.653 0.000) 3.653 26.502 ( 0.000 6.703 0.000) 6.703 26.610 ( 0.000 -4.654 0.000) 4.654 26.718 ( 0.000 7.822 0.000) 7.822 26.871 ( 0.000 0.217 0.000) 0.217 26.883 ( 0.000 -9.795 0.000) 9.795 26.904 ( 0.000 -3.531 0.000) 3.531 27.108 ( 0.000 5.792 0.000) 5.792 27.218 ( 0.000 -5.992 0.000) 5.992 ======================= Grid point 19 (12/30) ======================= q-point: ( 0.11 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 5.459 20.724 0.000) 21.431 1.397 ( 24.890 15.097 0.000) 29.111 1.474 ( 5.669 -7.339 0.000) 9.274 1.660 ( 26.065 -7.342 0.000) 27.080 1.678 ( -5.866 -2.850 0.000) 6.522 1.758 ( 6.829 5.444 0.000) 8.733 1.841 ( -0.386 -9.168 0.000) 9.176 1.994 ( 18.217 -14.445 0.000) 23.249 2.186 ( 15.866 18.308 0.000) 24.226 2.355 ( 13.762 15.749 0.000) 20.914 2.393 ( 9.025 3.055 0.000) 9.528 2.526 ( 14.801 3.612 0.000) 15.235 2.527 ( 4.455 -1.255 0.000) 4.628 2.541 ( 5.390 -2.784 0.000) 6.066 2.591 ( 18.832 1.899 0.000) 18.927 2.603 ( 5.054 1.107 0.000) 5.173 2.759 ( 8.324 0.317 0.000) 8.330 2.763 ( 1.353 6.298 0.000) 6.442 2.801 ( 0.887 1.845 0.000) 2.048 2.830 ( 4.382 -9.676 0.000) 10.621 2.888 ( 4.745 3.982 0.000) 6.195 2.909 ( 9.830 6.264 0.000) 11.656 2.998 ( 7.686 8.050 0.000) 11.130 3.023 ( 3.656 3.447 0.000) 5.024 3.068 ( 2.725 0.203 0.000) 2.732 3.197 ( 7.670 -9.290 0.000) 12.047 3.269 ( -2.796 3.210 0.000) 4.257 3.315 ( 7.931 8.732 0.000) 11.796 3.430 ( -2.550 7.129 0.000) 7.572 3.447 ( 0.581 2.303 0.000) 2.375 3.457 ( -3.431 -5.977 0.000) 6.891 3.476 ( 11.166 -7.832 0.000) 13.639 3.515 ( 2.462 5.432 0.000) 5.964 3.539 ( -2.368 -1.100 0.000) 2.611 3.539 ( -0.575 1.073 0.000) 1.218 3.626 ( 5.456 -10.136 0.000) 11.511 3.689 ( -3.122 4.865 0.000) 5.780 3.804 ( -1.465 0.817 0.000) 1.677 3.835 ( -1.499 4.151 0.000) 4.413 3.911 ( -11.140 -4.167 0.000) 11.894 4.001 ( 4.281 8.132 0.000) 9.190 4.071 ( 0.570 0.467 0.000) 0.737 4.113 ( -1.304 7.110 0.000) 7.229 4.134 ( -9.150 9.516 0.000) 13.202 4.210 ( -6.896 0.609 0.000) 6.923 4.249 ( 1.073 5.544 0.000) 5.647 4.256 ( -4.470 -0.421 0.000) 4.489 4.258 ( -0.883 2.290 0.000) 2.454 4.276 ( -2.191 -2.522 0.000) 3.341 4.425 ( 6.327 -9.765 0.000) 11.635 4.428 ( 3.082 6.224 0.000) 6.946 4.433 ( 2.727 4.108 0.000) 4.931 4.496 ( 2.387 -1.419 0.000) 2.777 4.502 ( 5.305 -1.504 0.000) 5.514 4.608 ( 1.366 7.671 0.000) 7.792 4.659 ( 2.039 0.315 0.000) 2.063 4.659 ( 1.334 1.484 0.000) 1.996 4.674 ( 2.712 0.219 0.000) 2.721 4.694 ( 4.745 4.156 0.000) 6.308 4.717 ( 5.619 2.912 0.000) 6.329 4.752 ( 2.616 -7.521 0.000) 7.963 4.771 ( -1.000 -4.540 0.000) 4.649 4.905 ( 5.204 6.649 0.000) 8.443 4.941 ( 0.257 5.340 0.000) 5.347 5.042 ( -0.523 6.622 0.000) 6.643 5.047 ( -1.281 -6.934 0.000) 7.052 5.128 ( 1.149 1.922 0.000) 2.239 5.207 ( 1.373 21.781 0.000) 21.824 5.261 ( 1.194 8.220 0.000) 8.306 5.353 ( 4.180 -18.329 0.000) 18.800 5.531 ( -4.927 -11.756 0.000) 12.747 5.694 ( 0.745 11.482 0.000) 11.507 5.702 ( -9.064 9.318 0.000) 13.000 5.863 ( 2.301 4.330 0.000) 4.903 5.908 ( -3.353 -5.814 0.000) 6.711 5.915 ( -8.837 -18.470 0.000) 20.475 5.962 ( -3.199 -31.374 0.000) 31.536 6.056 ( -3.138 -2.969 0.000) 4.320 6.149 ( 5.570 -19.152 0.000) 19.946 6.289 ( 3.791 4.286 0.000) 5.722 6.325 ( 11.727 -21.227 0.000) 24.251 6.600 ( 0.721 -19.096 0.000) 19.110 6.860 ( 9.415 9.333 0.000) 13.257 6.929 ( -5.449 6.887 0.000) 8.782 7.033 ( 12.871 -9.096 0.000) 15.761 7.155 ( 0.077 -12.015 0.000) 12.015 7.580 ( 7.424 5.648 0.000) 9.328 7.639 ( 2.375 0.174 0.000) 2.382 7.815 ( -3.908 1.106 0.000) 4.062 7.893 ( -3.875 -4.008 0.000) 5.575 8.198 ( 1.153 4.984 0.000) 5.115 8.232 ( -4.125 15.091 0.000) 15.645 8.270 ( 2.234 -1.543 0.000) 2.715 8.481 ( -7.335 -8.665 0.000) 11.353 8.611 ( 1.652 5.684 0.000) 5.920 8.727 ( 8.937 -6.171 0.000) 10.861 9.091 ( 0.618 4.377 0.000) 4.421 9.095 ( -3.336 6.550 0.000) 7.351 9.144 ( -0.879 3.860 0.000) 3.959 9.192 ( -2.577 -4.100 0.000) 4.842 9.308 ( 2.103 8.781 0.000) 9.030 9.411 ( -8.376 8.375 0.000) 11.845 9.460 ( 2.968 -5.840 0.000) 6.551 9.634 ( -3.001 -12.602 0.000) 12.955 9.755 ( -5.317 4.202 0.000) 6.777 9.853 ( 6.392 2.929 0.000) 7.031 9.863 ( -4.360 -6.794 0.000) 8.073 9.910 ( 5.515 -3.272 0.000) 6.412 10.143 ( 3.955 0.645 0.000) 4.007 10.181 ( 2.299 -2.964 0.000) 3.751 10.465 ( -0.291 6.346 0.000) 6.353 10.517 ( -2.145 6.663 0.000) 7.000 10.568 ( 0.165 -3.980 0.000) 3.984 10.647 ( -3.616 -6.663 0.000) 7.581 11.032 ( -4.232 10.259 0.000) 11.098 11.119 ( -6.817 10.874 0.000) 12.834 11.207 ( -1.771 8.786 0.000) 8.962 11.230 ( -8.783 0.599 0.000) 8.803 11.314 ( -0.023 -1.673 0.000) 1.673 11.427 ( -4.909 -9.795 0.000) 10.956 11.488 ( -4.738 1.866 0.000) 5.092 11.496 ( -9.566 7.650 0.000) 12.249 11.553 ( -6.828 -2.569 0.000) 7.295 11.649 ( -5.042 -6.513 0.000) 8.237 11.849 ( -3.947 2.197 0.000) 4.517 11.873 ( -4.567 -0.000 0.000) 4.567 11.924 ( -7.570 8.813 0.000) 11.618 12.071 ( -5.044 -6.836 0.000) 8.495 12.548 ( 10.850 16.742 0.000) 19.950 12.708 ( 11.270 13.691 0.000) 17.733 12.926 ( -0.216 -22.692 0.000) 22.693 13.004 ( -0.954 -17.498 0.000) 17.524 13.315 ( 16.138 6.931 0.000) 17.563 13.412 ( 18.240 -3.837 0.000) 18.639 13.735 ( 15.016 18.174 0.000) 23.575 14.159 ( 10.167 -26.034 0.000) 27.949 14.827 ( -20.672 12.888 0.000) 24.361 15.118 ( -18.070 -18.647 0.000) 25.966 16.384 ( -13.350 3.952 0.000) 13.922 16.491 ( -19.747 -5.669 0.000) 20.544 16.587 ( -24.330 3.072 0.000) 24.523 16.680 ( -18.136 -7.340 0.000) 19.565 16.880 ( -16.968 12.671 0.000) 21.177 17.131 ( -14.245 -13.329 0.000) 19.508 17.667 ( 2.614 3.877 0.000) 4.676 17.704 ( 7.481 4.333 0.000) 8.645 17.762 ( 3.637 -5.838 0.000) 6.878 17.773 ( 9.043 -3.105 0.000) 9.561 17.820 ( -1.189 3.217 0.000) 3.430 17.875 ( -1.152 -2.446 0.000) 2.704 18.128 ( 1.375 4.560 0.000) 4.763 18.227 ( 14.674 5.440 0.000) 15.649 18.238 ( 1.744 -6.642 0.000) 6.867 18.323 ( 16.748 -4.895 0.000) 17.449 18.537 ( -0.732 9.971 0.000) 9.998 18.609 ( 3.343 3.300 0.000) 4.698 18.673 ( 7.844 4.076 0.000) 8.839 18.776 ( 0.260 -4.175 0.000) 4.183 18.855 ( 12.700 4.282 0.000) 13.403 18.873 ( 13.298 1.891 0.000) 13.432 24.354 ( -0.509 0.694 0.000) 0.860 24.364 ( -0.492 -0.324 0.000) 0.589 24.435 ( -0.892 0.848 0.000) 1.231 24.446 ( -0.634 -0.403 0.000) 0.751 24.491 ( 1.483 0.912 0.000) 1.740 24.506 ( 1.901 -0.760 0.000) 2.048 24.549 ( -3.060 2.482 0.000) 3.940 24.586 ( -3.526 -1.434 0.000) 3.806 24.657 ( 3.725 1.087 0.000) 3.880 24.668 ( 3.395 -0.045 0.000) 3.395 24.742 ( 0.309 0.955 0.000) 1.004 24.755 ( 0.635 -0.583 0.000) 0.862 24.807 ( 3.233 0.282 0.000) 3.246 24.812 ( 3.370 -0.171 0.000) 3.374 24.983 ( -0.548 1.080 0.000) 1.211 24.990 ( -0.953 0.318 0.000) 1.005 25.498 ( 6.291 6.832 0.000) 9.287 25.649 ( 5.775 -9.170 0.000) 10.837 25.886 ( 2.926 6.347 0.000) 6.989 25.920 ( 6.255 4.165 0.000) 7.515 26.001 ( 2.106 -5.552 0.000) 5.939 26.019 ( 4.096 -6.111 0.000) 7.357 26.406 ( 1.191 2.975 0.000) 3.204 26.467 ( 0.500 -3.279 0.000) 3.317 26.470 ( -2.750 6.330 0.000) 6.902 26.577 ( -3.062 -4.863 0.000) 5.747 26.695 ( -1.997 6.669 0.000) 6.962 26.825 ( -4.166 0.545 0.000) 4.201 26.837 ( -4.087 -8.501 0.000) 9.433 26.862 ( -3.837 -3.680 0.000) 5.316 27.055 ( -4.679 5.084 0.000) 6.909 27.146 ( -6.116 -4.503 0.000) 7.595 ======================= Grid point 20 (13/30) ======================= q-point: ( 0.22 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 8.354 4.484 0.000) 9.481 1.438 ( -4.072 -15.644 0.000) 16.165 1.637 ( -0.215 3.604 0.000) 3.610 1.725 ( -2.468 -6.135 0.000) 6.613 1.819 ( 15.736 3.758 0.000) 16.178 1.944 ( 8.934 -9.778 0.000) 13.245 2.051 ( 11.182 12.277 0.000) 16.606 2.277 ( 8.179 -12.690 0.000) 15.097 2.509 ( -0.270 5.881 0.000) 5.888 2.541 ( -4.742 14.148 0.000) 14.921 2.553 ( 0.450 -2.044 0.000) 2.093 2.605 ( 12.020 8.472 0.000) 14.706 2.645 ( 5.759 12.170 0.000) 13.464 2.681 ( 3.529 -6.584 0.000) 7.470 2.723 ( -0.489 2.491 0.000) 2.538 2.776 ( 12.222 -3.881 0.000) 12.823 2.852 ( 0.724 1.049 0.000) 1.275 2.930 ( 6.776 6.894 0.000) 9.666 2.950 ( 2.611 -1.962 0.000) 3.265 2.961 ( 7.928 3.420 0.000) 8.635 3.050 ( 9.249 7.673 0.000) 12.018 3.084 ( 9.442 3.472 0.000) 10.060 3.151 ( -5.346 3.837 0.000) 6.581 3.163 ( 12.181 14.285 0.000) 18.773 3.165 ( 2.846 2.295 0.000) 3.656 3.190 ( 1.288 5.156 0.000) 5.314 3.231 ( 1.524 3.942 0.000) 4.226 3.323 ( -2.304 -3.309 0.000) 4.032 3.385 ( -10.133 -8.610 0.000) 13.297 3.487 ( 15.903 -4.106 0.000) 16.425 3.561 ( 1.081 4.353 0.000) 4.486 3.570 ( -3.249 12.539 0.000) 12.953 3.582 ( 4.625 10.270 0.000) 11.264 3.687 ( 5.410 6.461 0.000) 8.427 3.699 ( 7.736 -3.793 0.000) 8.616 3.705 ( -6.224 -1.516 0.000) 6.406 3.757 ( 4.537 -3.084 0.000) 5.486 3.794 ( 6.505 3.929 0.000) 7.599 3.814 ( -2.222 1.218 0.000) 2.534 3.870 ( 14.233 -0.492 0.000) 14.241 3.886 ( -3.478 -1.408 0.000) 3.752 3.997 ( -6.603 -4.584 0.000) 8.038 4.002 ( 5.245 -4.039 0.000) 6.620 4.029 ( -7.352 0.382 0.000) 7.362 4.188 ( 5.352 4.444 0.000) 6.956 4.195 ( 0.068 1.899 0.000) 1.900 4.259 ( 1.523 -0.919 0.000) 1.779 4.275 ( 1.405 -3.425 0.000) 3.701 4.328 ( 5.795 8.662 0.000) 10.421 4.471 ( -0.483 6.744 0.000) 6.761 4.515 ( 5.276 7.157 0.000) 8.891 4.537 ( 3.813 -5.730 0.000) 6.882 4.591 ( -1.641 -1.176 0.000) 2.019 4.594 ( 2.521 1.112 0.000) 2.755 4.644 ( 2.318 6.985 0.000) 7.359 4.655 ( -0.995 2.996 0.000) 3.157 4.689 ( 1.578 1.202 0.000) 1.984 4.705 ( -0.610 -6.380 0.000) 6.409 4.755 ( 0.460 10.656 0.000) 10.666 4.831 ( 8.291 4.884 0.000) 9.623 4.838 ( 5.039 4.261 0.000) 6.599 4.858 ( -3.062 0.312 0.000) 3.078 4.892 ( 13.601 -0.887 0.000) 13.630 5.014 ( 2.421 -9.062 0.000) 9.380 5.034 ( 8.125 -13.566 0.000) 15.813 5.081 ( -2.141 -8.217 0.000) 8.491 5.183 ( 8.406 9.077 0.000) 12.372 5.224 ( 1.918 17.893 0.000) 17.996 5.391 ( 16.720 5.443 0.000) 17.584 5.486 ( 8.219 -20.076 0.000) 21.694 5.501 ( -3.414 1.646 0.000) 3.790 5.595 ( 1.409 -3.433 0.000) 3.711 5.692 ( -2.410 -2.246 0.000) 3.294 5.708 ( -9.656 -10.355 0.000) 14.158 5.758 ( -2.128 -10.983 0.000) 11.188 5.980 ( 4.038 -23.177 0.000) 23.526 6.030 ( 14.234 4.213 0.000) 14.845 6.166 ( 11.787 1.151 0.000) 11.843 6.340 ( 1.939 2.011 0.000) 2.793 6.389 ( 18.227 -10.953 0.000) 21.265 6.590 ( -1.462 -22.508 0.000) 22.555 6.620 ( 16.616 -22.763 0.000) 28.182 6.922 ( 6.168 15.480 0.000) 16.664 7.126 ( 13.563 14.341 0.000) 19.739 7.161 ( 1.159 -7.176 0.000) 7.269 7.337 ( 12.898 -6.823 0.000) 14.592 7.603 ( -0.237 8.180 0.000) 8.184 7.669 ( -8.393 -2.483 0.000) 8.752 7.726 ( 4.340 -2.045 0.000) 4.797 7.742 ( -9.954 -5.042 0.000) 11.158 8.218 ( -5.733 6.965 0.000) 9.021 8.238 ( 3.194 4.021 0.000) 5.135 8.326 ( 3.645 -1.155 0.000) 3.823 8.344 ( -2.466 -6.542 0.000) 6.991 8.625 ( 1.685 12.493 0.000) 12.606 8.873 ( -17.118 11.336 0.000) 20.531 8.921 ( 7.215 -16.643 0.000) 18.139 9.049 ( -10.640 -4.673 0.000) 11.621 9.118 ( -0.009 3.773 0.000) 3.773 9.162 ( 2.679 -0.822 0.000) 2.802 9.282 ( -2.299 5.831 0.000) 6.268 9.377 ( 4.788 7.062 0.000) 8.532 9.429 ( -10.784 -10.130 0.000) 14.796 9.533 ( 3.464 -7.837 0.000) 8.568 9.676 ( -2.861 10.146 0.000) 10.542 9.872 ( 0.901 -9.329 0.000) 9.372 9.967 ( 2.874 2.384 0.000) 3.734 10.028 ( 5.125 -3.485 0.000) 6.198 10.223 ( 3.923 0.814 0.000) 4.007 10.236 ( 1.886 -0.247 0.000) 1.902 10.453 ( -1.246 8.798 0.000) 8.885 10.491 ( -0.983 6.323 0.000) 6.399 10.562 ( -1.390 -2.749 0.000) 3.081 10.593 ( -1.158 -4.518 0.000) 4.664 10.874 ( -11.226 10.048 0.000) 15.066 10.998 ( -4.759 12.132 0.000) 13.032 11.040 ( -9.090 -0.173 0.000) 9.092 11.108 ( -7.019 10.217 0.000) 12.396 11.213 ( -16.410 -4.193 0.000) 16.937 11.265 ( -6.573 11.674 0.000) 13.397 11.275 ( -7.808 -4.333 0.000) 8.930 11.289 ( -13.197 1.966 0.000) 13.342 11.419 ( -4.591 -10.468 0.000) 11.431 11.504 ( -7.399 -10.694 0.000) 13.004 11.740 ( -9.593 9.027 0.000) 13.172 11.749 ( -6.499 3.956 0.000) 7.609 11.832 ( -2.457 -4.395 0.000) 5.035 11.912 ( -9.992 -8.606 0.000) 13.187 12.791 ( 8.678 7.529 0.000) 11.489 12.940 ( 3.968 -8.162 0.000) 9.076 12.955 ( -2.927 2.224 0.000) 3.676 12.998 ( 14.849 -1.818 0.000) 14.960 13.597 ( 9.269 12.015 0.000) 15.174 13.749 ( 14.050 -4.308 0.000) 14.696 14.126 ( 22.282 13.988 0.000) 26.309 14.339 ( -24.331 16.778 0.000) 29.555 14.467 ( 19.629 -22.172 0.000) 29.613 14.700 ( -20.414 -22.142 0.000) 30.117 16.065 ( -19.585 2.139 0.000) 19.701 16.093 ( -21.714 11.410 0.000) 24.529 16.146 ( -8.356 -6.996 0.000) 10.898 16.361 ( -11.235 -17.688 0.000) 20.954 16.502 ( -18.908 15.911 0.000) 24.712 16.806 ( -17.226 -16.683 0.000) 23.981 17.776 ( 7.961 0.440 0.000) 7.973 17.799 ( 2.699 4.011 0.000) 4.834 17.814 ( 1.840 1.669 0.000) 2.485 17.846 ( 4.510 -6.194 0.000) 7.662 17.930 ( 5.995 0.694 0.000) 6.035 17.983 ( 8.202 -3.568 0.000) 8.945 18.151 ( 1.804 4.944 0.000) 5.263 18.261 ( 2.141 -6.106 0.000) 6.471 18.466 ( -4.517 10.311 0.000) 11.257 18.511 ( 11.498 7.209 0.000) 13.571 18.589 ( -4.463 -2.730 0.000) 5.232 18.634 ( 12.253 -6.180 0.000) 13.724 18.836 ( 5.831 4.102 0.000) 7.129 18.872 ( 5.743 0.692 0.000) 5.785 19.071 ( 6.757 4.605 0.000) 8.177 19.106 ( 7.603 0.666 0.000) 7.632 24.343 ( -0.442 0.704 0.000) 0.831 24.353 ( -0.439 -0.337 0.000) 0.553 24.411 ( -1.357 1.022 0.000) 1.698 24.424 ( -1.371 -0.409 0.000) 1.431 24.484 ( -3.109 1.878 0.000) 3.632 24.495 ( -1.361 1.835 0.000) 2.284 24.512 ( -3.458 -1.140 0.000) 3.641 24.519 ( -0.841 -0.870 0.000) 1.210 24.735 ( 3.619 0.901 0.000) 3.730 24.748 ( 3.854 -0.388 0.000) 3.874 24.785 ( 3.623 0.634 0.000) 3.679 24.791 ( 2.901 -0.082 0.000) 2.902 24.867 ( 2.261 0.395 0.000) 2.295 24.874 ( 2.439 -0.331 0.000) 2.461 24.964 ( -1.385 0.618 0.000) 1.517 24.967 ( -1.181 0.325 0.000) 1.225 25.673 ( 10.221 6.408 0.000) 12.064 25.806 ( 9.106 -7.843 0.000) 12.018 25.975 ( 5.635 5.074 0.000) 7.583 26.065 ( 7.417 2.540 0.000) 7.840 26.067 ( 4.311 -4.489 0.000) 6.224 26.126 ( 5.975 -3.843 0.000) 7.104 26.405 ( -3.376 4.701 0.000) 5.787 26.445 ( 2.566 1.931 0.000) 3.211 26.486 ( 1.493 -2.376 0.000) 2.806 26.495 ( -4.791 -4.579 0.000) 6.627 26.651 ( -2.014 3.919 0.000) 4.406 26.718 ( -5.922 1.162 0.000) 6.035 26.739 ( -5.007 -5.466 0.000) 7.413 26.764 ( -5.375 -3.526 0.000) 6.429 26.941 ( -6.015 3.679 0.000) 7.051 27.005 ( -7.192 -3.090 0.000) 7.828 ======================= Grid point 21 (14/30) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 5.769 -3.387 0.000) 6.690 1.487 ( 14.037 -6.275 0.000) 15.375 1.600 ( -0.419 3.781 0.000) 3.804 1.694 ( 0.344 -6.838 0.000) 6.847 2.006 ( 4.238 9.634 0.000) 10.524 2.224 ( 6.193 8.371 0.000) 10.413 2.225 ( 12.980 -12.030 0.000) 17.697 2.353 ( 0.237 -4.841 0.000) 4.847 2.419 ( -6.177 11.079 0.000) 12.685 2.531 ( 1.207 6.838 0.000) 6.944 2.593 ( 4.785 -1.323 0.000) 4.964 2.621 ( -2.277 5.065 0.000) 5.554 2.641 ( -5.999 -6.957 0.000) 9.187 2.695 ( -3.719 -1.873 0.000) 4.164 2.751 ( 5.756 7.900 0.000) 9.775 2.866 ( -1.187 7.952 0.000) 8.041 2.898 ( -1.844 2.683 0.000) 3.255 2.920 ( -4.916 5.311 0.000) 7.237 3.000 ( 2.325 6.033 0.000) 6.465 3.021 ( -4.048 3.536 0.000) 5.375 3.029 ( -4.256 0.146 0.000) 4.258 3.070 ( -0.642 7.600 0.000) 7.627 3.118 ( -3.921 0.454 0.000) 3.947 3.125 ( -0.876 12.853 0.000) 12.883 3.177 ( -2.990 -4.230 0.000) 5.180 3.186 ( -3.991 -0.352 0.000) 4.006 3.206 ( -3.401 -3.642 0.000) 4.983 3.307 ( 3.571 3.798 0.000) 5.213 3.416 ( -10.140 2.029 0.000) 10.341 3.440 ( -4.849 8.067 0.000) 9.413 3.500 ( -9.000 -4.262 0.000) 9.958 3.561 ( -1.715 2.869 0.000) 3.343 3.633 ( 6.379 8.363 0.000) 10.519 3.712 ( 3.350 8.850 0.000) 9.463 3.718 ( -3.460 -9.322 0.000) 9.944 3.725 ( -2.951 -8.581 0.000) 9.074 3.781 ( -1.091 9.072 0.000) 9.138 3.793 ( 1.544 -4.145 0.000) 4.423 3.879 ( -0.051 0.371 0.000) 0.374 3.917 ( 7.617 2.695 0.000) 8.079 3.943 ( -1.373 -0.798 0.000) 1.588 4.044 ( 8.819 -6.893 0.000) 11.193 4.089 ( 2.076 0.773 0.000) 2.215 4.156 ( 1.275 -4.489 0.000) 4.667 4.257 ( 6.459 5.993 0.000) 8.811 4.258 ( 0.734 3.971 0.000) 4.038 4.305 ( 0.751 -0.789 0.000) 1.089 4.354 ( 2.719 -3.528 0.000) 4.454 4.447 ( -3.445 2.734 0.000) 4.398 4.481 ( -0.881 0.729 0.000) 1.143 4.504 ( 5.050 7.397 0.000) 8.956 4.558 ( -1.321 15.166 0.000) 15.223 4.575 ( 5.507 4.621 0.000) 7.189 4.595 ( -4.966 11.291 0.000) 12.335 4.644 ( 2.859 4.800 0.000) 5.587 4.682 ( 5.841 1.231 0.000) 5.969 4.710 ( -7.327 -0.007 0.000) 7.327 4.738 ( 3.041 -2.293 0.000) 3.808 4.796 ( 6.154 -6.864 0.000) 9.219 4.872 ( 6.328 7.171 0.000) 9.564 4.927 ( 0.180 -11.803 0.000) 11.804 4.983 ( 7.075 -4.496 0.000) 8.382 5.022 ( 5.314 -3.469 0.000) 6.346 5.074 ( 2.284 -6.809 0.000) 7.182 5.143 ( 4.837 0.650 0.000) 4.880 5.323 ( 9.202 16.331 0.000) 18.745 5.323 ( 5.392 -13.525 0.000) 14.560 5.418 ( 9.798 2.400 0.000) 10.087 5.522 ( 4.281 5.268 0.000) 6.788 5.602 ( 5.458 -9.052 0.000) 10.570 5.618 ( 13.686 0.585 0.000) 13.698 5.660 ( 0.821 -18.832 0.000) 18.849 5.707 ( 9.980 1.915 0.000) 10.162 5.891 ( 24.431 -9.910 0.000) 26.364 5.921 ( 13.593 -1.623 0.000) 13.689 6.076 ( 7.644 -15.357 0.000) 17.154 6.386 ( 1.070 -0.841 0.000) 1.361 6.401 ( 17.097 -0.829 0.000) 17.117 6.491 ( 20.005 -11.429 0.000) 23.040 6.607 ( 4.635 -17.609 0.000) 18.209 6.823 ( 18.398 3.112 0.000) 18.659 7.007 ( 18.457 -13.195 0.000) 22.688 7.131 ( -3.222 21.642 0.000) 21.881 7.137 ( 11.824 13.654 0.000) 18.062 7.219 ( 3.337 4.245 0.000) 5.400 7.502 ( 3.037 -13.331 0.000) 13.672 7.503 ( -5.797 -4.418 0.000) 7.289 7.580 ( -3.320 -11.455 0.000) 11.926 7.695 ( 0.566 7.677 0.000) 7.698 7.949 ( 17.876 -13.438 0.000) 22.364 7.992 ( -14.732 12.054 0.000) 19.035 8.258 ( 3.511 7.149 0.000) 7.964 8.276 ( -7.564 -15.082 0.000) 16.872 8.420 ( 5.484 -8.499 0.000) 10.115 8.654 ( 0.317 9.680 0.000) 9.685 8.694 ( 1.676 15.419 0.000) 15.510 8.816 ( -4.681 -7.867 0.000) 9.154 8.904 ( -6.628 -5.068 0.000) 8.344 9.154 ( 2.187 2.248 0.000) 3.137 9.155 ( -12.596 8.225 0.000) 15.044 9.276 ( -5.306 -5.484 0.000) 7.631 9.278 ( 5.721 -8.605 0.000) 10.333 9.466 ( 1.274 1.998 0.000) 2.370 9.527 ( -5.457 -3.621 0.000) 6.549 9.694 ( 4.930 6.541 0.000) 8.191 9.825 ( -3.636 -6.501 0.000) 7.449 9.970 ( -2.646 3.551 0.000) 4.428 10.081 ( 1.717 -6.699 0.000) 6.916 10.245 ( -2.123 5.452 0.000) 5.851 10.293 ( 2.030 -0.515 0.000) 2.094 10.354 ( -11.513 9.409 0.000) 14.868 10.462 ( -3.364 9.550 0.000) 10.125 10.473 ( -7.491 -1.065 0.000) 7.566 10.557 ( -0.068 -0.716 0.000) 0.719 10.574 ( -16.598 14.613 0.000) 22.114 10.831 ( -13.154 -5.923 0.000) 14.426 10.893 ( -8.335 3.427 0.000) 9.012 10.966 ( 0.691 3.090 0.000) 3.166 10.967 ( -6.212 9.814 0.000) 11.615 11.086 ( -4.105 10.671 0.000) 11.433 11.141 ( -7.011 -8.027 0.000) 10.657 11.191 ( 1.709 6.549 0.000) 6.768 11.349 ( -2.171 -14.294 0.000) 14.458 11.354 ( -7.154 -11.081 0.000) 13.190 11.558 ( -7.791 4.472 0.000) 8.983 11.590 ( -8.441 5.670 0.000) 10.169 11.699 ( -10.024 -9.090 0.000) 13.531 11.733 ( -6.873 -8.598 0.000) 11.008 12.816 ( -1.948 17.303 0.000) 17.412 12.887 ( -3.518 19.831 0.000) 20.141 13.130 ( 10.253 -15.798 0.000) 18.833 13.250 ( 8.777 -18.279 0.000) 20.277 13.688 ( 0.793 17.571 0.000) 17.589 13.919 ( -15.623 21.365 0.000) 26.468 13.971 ( 7.512 -11.893 0.000) 14.067 14.352 ( -13.019 -25.055 0.000) 28.236 14.621 ( 25.645 13.431 0.000) 28.950 14.933 ( 25.144 -19.686 0.000) 31.934 15.740 ( -11.848 15.337 0.000) 19.380 15.748 ( -11.760 23.243 0.000) 26.049 16.012 ( -10.638 0.220 0.000) 10.640 16.167 ( -8.997 -3.568 0.000) 9.679 16.225 ( -3.112 -28.322 0.000) 28.492 16.429 ( -19.914 -18.268 0.000) 27.024 17.861 ( 3.507 4.126 0.000) 5.415 17.881 ( 4.631 1.975 0.000) 5.034 17.928 ( 4.609 -0.073 0.000) 4.609 17.967 ( 7.648 -4.414 0.000) 8.830 18.052 ( 5.758 1.661 0.000) 5.992 18.113 ( 4.564 -3.294 0.000) 5.628 18.216 ( 3.202 5.840 0.000) 6.660 18.304 ( -0.154 -2.464 0.000) 2.469 18.400 ( 0.329 9.376 0.000) 9.382 18.533 ( 1.410 -5.875 0.000) 6.042 18.663 ( 3.304 7.800 0.000) 8.471 18.791 ( 3.042 -6.119 0.000) 6.834 18.890 ( 0.213 4.234 0.000) 4.240 18.928 ( 0.168 0.541 0.000) 0.567 19.109 ( -2.691 4.543 0.000) 5.280 19.157 ( -2.260 -0.533 0.000) 2.322 24.341 ( 0.285 0.709 0.000) 0.764 24.351 ( 0.306 -0.332 0.000) 0.451 24.385 ( -1.081 0.998 0.000) 1.471 24.398 ( -1.058 -0.411 0.000) 1.135 24.427 ( -2.464 1.462 0.000) 2.865 24.449 ( -2.713 -0.905 0.000) 2.860 24.450 ( -2.685 1.965 0.000) 3.327 24.477 ( -2.884 -1.057 0.000) 3.071 24.806 ( 3.213 0.846 0.000) 3.323 24.820 ( 3.121 -0.571 0.000) 3.173 24.850 ( 2.467 0.521 0.000) 2.521 24.855 ( 2.781 0.027 0.000) 2.782 24.896 ( 0.626 0.612 0.000) 0.876 24.906 ( 0.776 -0.517 0.000) 0.932 24.934 ( -1.484 0.657 0.000) 1.623 24.940 ( -1.365 -0.019 0.000) 1.365 25.892 ( 10.741 5.212 0.000) 11.939 25.997 ( 9.073 -6.021 0.000) 10.889 26.107 ( 7.035 3.566 0.000) 7.887 26.170 ( 5.526 -2.958 0.000) 6.268 26.209 ( 6.295 1.681 0.000) 6.516 26.246 ( 5.345 -2.077 0.000) 5.734 26.336 ( -3.528 2.381 0.000) 4.257 26.392 ( -5.025 -3.265 0.000) 5.993 26.506 ( 3.196 0.402 0.000) 3.221 26.525 ( 2.022 -1.521 0.000) 2.530 26.595 ( -5.941 2.630 0.000) 6.497 26.622 ( -0.721 1.037 0.000) 1.263 26.650 ( -3.175 -2.030 0.000) 3.769 26.658 ( -4.720 -3.921 0.000) 6.136 26.823 ( -5.427 2.207 0.000) 5.858 26.864 ( -6.463 -2.161 0.000) 6.815 ======================= Grid point 22 (15/30) ======================= q-point: ( 0.44 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 7.713 2.693 0.000) 8.170 1.647 ( 3.607 4.292 0.000) 5.606 1.699 ( 4.176 -5.730 0.000) 7.090 1.725 ( 0.808 -4.391 0.000) 4.465 2.148 ( 11.172 12.789 0.000) 16.982 2.278 ( -0.183 13.557 0.000) 13.558 2.333 ( -1.102 -0.487 0.000) 1.204 2.335 ( -2.140 3.170 0.000) 3.825 2.364 ( 1.538 -0.154 0.000) 1.546 2.430 ( -6.250 5.899 0.000) 8.595 2.491 ( -6.363 -1.902 0.000) 6.642 2.531 ( -7.893 0.115 0.000) 7.894 2.643 ( 0.091 2.700 0.000) 2.702 2.730 ( -7.785 4.891 0.000) 9.194 2.750 ( 4.971 -3.757 0.000) 6.231 2.832 ( -2.717 -0.456 0.000) 2.755 2.883 ( 7.555 7.522 0.000) 10.661 2.950 ( 6.085 2.664 0.000) 6.642 2.955 ( -0.707 7.463 0.000) 7.496 2.958 ( -1.274 6.273 0.000) 6.401 2.992 ( -3.609 16.890 0.000) 17.272 3.037 ( 0.759 -0.477 0.000) 0.896 3.084 ( -1.502 0.597 0.000) 1.616 3.107 ( -2.007 -0.253 0.000) 2.023 3.141 ( -2.994 2.347 0.000) 3.804 3.142 ( -0.761 -3.996 0.000) 4.068 3.171 ( 1.463 -3.018 0.000) 3.354 3.234 ( -4.649 4.451 0.000) 6.436 3.287 ( -1.248 -1.507 0.000) 1.956 3.380 ( -3.547 -6.045 0.000) 7.009 3.381 ( -2.175 -8.057 0.000) 8.346 3.431 ( -9.927 -9.857 0.000) 13.989 3.649 ( 3.391 -4.184 0.000) 5.386 3.706 ( 2.104 4.796 0.000) 5.237 3.728 ( -3.846 4.847 0.000) 6.187 3.781 ( 5.004 -2.484 0.000) 5.586 3.795 ( -5.803 4.062 0.000) 7.083 3.799 ( 3.255 4.106 0.000) 5.240 3.878 ( 4.656 -6.426 0.000) 7.936 3.947 ( -0.777 -5.885 0.000) 5.936 4.013 ( 3.672 5.520 0.000) 6.630 4.067 ( -1.811 2.648 0.000) 3.208 4.102 ( -1.740 -2.805 0.000) 3.300 4.125 ( -3.635 -1.642 0.000) 3.988 4.259 ( 0.369 4.989 0.000) 5.002 4.303 ( -2.272 3.132 0.000) 3.869 4.322 ( 2.599 -1.386 0.000) 2.946 4.353 ( -0.848 -1.387 0.000) 1.626 4.390 ( -0.075 5.133 0.000) 5.134 4.449 ( 0.259 -1.666 0.000) 1.686 4.461 ( -6.321 8.804 0.000) 10.838 4.502 ( -4.453 7.833 0.000) 9.010 4.619 ( 3.101 9.067 0.000) 9.583 4.629 ( 0.547 7.496 0.000) 7.516 4.688 ( 3.955 4.073 0.000) 5.677 4.722 ( 2.273 1.707 0.000) 2.842 4.782 ( 1.949 0.279 0.000) 1.969 4.837 ( -0.924 0.006 0.000) 0.924 4.908 ( 10.526 0.822 0.000) 10.558 4.916 ( 2.892 -6.871 0.000) 7.455 4.979 ( 1.885 -2.783 0.000) 3.361 4.997 ( -3.447 -6.771 0.000) 7.598 5.052 ( -4.023 -7.433 0.000) 8.452 5.067 ( -3.269 -7.106 0.000) 7.822 5.267 ( 8.437 4.756 0.000) 9.685 5.406 ( -3.408 6.169 0.000) 7.048 5.407 ( 5.844 -4.923 0.000) 7.641 5.500 ( -1.232 9.731 0.000) 9.809 5.674 ( 8.375 3.806 0.000) 9.199 5.696 ( 3.987 -13.141 0.000) 13.732 5.806 ( 8.751 0.267 0.000) 8.755 5.856 ( 3.700 1.629 0.000) 4.043 6.048 ( 17.040 -4.244 0.000) 17.560 6.166 ( 5.823 -11.847 0.000) 13.200 6.215 ( 6.904 -13.853 0.000) 15.477 6.253 ( 6.447 -11.254 0.000) 12.970 6.411 ( 4.994 11.492 0.000) 12.530 6.639 ( -4.382 -0.081 0.000) 4.383 6.710 ( 2.823 2.438 0.000) 3.730 6.739 ( 4.957 -18.808 0.000) 19.450 6.971 ( 9.875 0.231 0.000) 9.877 7.090 ( -7.336 10.445 0.000) 12.764 7.189 ( 8.823 -7.776 0.000) 11.760 7.344 ( 2.265 -9.442 0.000) 9.710 7.425 ( 9.501 10.137 0.000) 13.893 7.522 ( -3.046 1.506 0.000) 3.398 7.557 ( 0.018 -8.231 0.000) 8.231 7.601 ( -0.145 -3.607 0.000) 3.610 7.709 ( 8.485 5.136 0.000) 9.918 7.736 ( -1.306 16.366 0.000) 16.418 8.067 ( 1.872 -26.008 0.000) 26.075 8.138 ( -3.551 -23.777 0.000) 24.040 8.449 ( 5.355 14.822 0.000) 15.760 8.604 ( -10.284 10.673 0.000) 14.821 8.668 ( 11.861 -7.398 0.000) 13.979 8.748 ( -4.931 -4.861 0.000) 6.924 8.844 ( 18.644 7.016 0.000) 19.921 8.961 ( 13.348 -4.478 0.000) 14.079 9.013 ( 6.884 2.091 0.000) 7.194 9.116 ( -4.456 -7.650 0.000) 8.853 9.133 ( -7.588 4.867 0.000) 9.015 9.207 ( -11.939 3.506 0.000) 12.444 9.323 ( -14.257 -8.028 0.000) 16.362 9.360 ( -13.490 -7.849 0.000) 15.607 9.788 ( 3.421 7.808 0.000) 8.524 9.866 ( 6.904 0.061 0.000) 6.904 9.871 ( -5.513 10.649 0.000) 11.991 10.018 ( -9.960 -2.182 0.000) 10.196 10.180 ( -1.602 7.403 0.000) 7.575 10.187 ( 0.406 4.101 0.000) 4.121 10.243 ( -4.870 2.184 0.000) 5.338 10.276 ( -8.020 -1.344 0.000) 8.132 10.344 ( -3.526 17.489 0.000) 17.840 10.387 ( -3.064 12.429 0.000) 12.801 10.608 ( 1.346 -6.944 0.000) 7.074 10.625 ( -4.408 -7.828 0.000) 8.984 10.835 ( 0.211 9.460 0.000) 9.462 10.864 ( -3.427 9.729 0.000) 10.315 11.015 ( 1.402 -7.797 0.000) 7.922 11.029 ( -2.365 -7.957 0.000) 8.301 11.091 ( 4.215 12.425 0.000) 13.120 11.217 ( -6.590 0.056 0.000) 6.590 11.269 ( 3.962 -2.604 0.000) 4.742 11.325 ( -1.310 -9.542 0.000) 9.631 11.446 ( -2.312 -1.526 0.000) 2.770 11.452 ( -3.594 1.545 0.000) 3.912 11.542 ( -4.046 -8.323 0.000) 9.254 11.584 ( -6.612 -9.960 0.000) 11.955 12.790 ( -0.005 26.595 0.000) 26.595 12.820 ( -2.727 27.572 0.000) 27.706 13.293 ( 5.463 -27.251 0.000) 27.793 13.345 ( 0.696 -28.077 0.000) 28.086 13.680 ( -0.494 21.038 0.000) 21.044 13.714 ( -4.978 23.265 0.000) 23.792 14.076 ( 3.767 -20.253 0.000) 20.600 14.165 ( -5.928 -24.840 0.000) 25.538 15.143 ( 24.875 15.364 0.000) 29.237 15.448 ( 22.505 -13.713 0.000) 26.354 15.561 ( -9.310 25.200 0.000) 26.865 15.618 ( 0.754 25.525 0.000) 25.536 15.660 ( -16.753 17.564 0.000) 24.273 15.987 ( -23.004 -17.804 0.000) 29.088 16.150 ( 1.949 -29.255 0.000) 29.320 16.188 ( -1.437 -32.768 0.000) 32.799 17.934 ( 3.274 6.198 0.000) 7.009 17.975 ( -0.151 5.345 0.000) 5.348 17.993 ( 5.740 0.373 0.000) 5.752 18.063 ( 0.527 -4.113 0.000) 4.146 18.158 ( 4.044 0.488 0.000) 4.073 18.183 ( 2.875 -0.769 0.000) 2.976 18.217 ( -2.178 3.235 0.000) 3.899 18.242 ( -3.364 2.032 0.000) 3.930 18.533 ( 9.086 5.509 0.000) 10.626 18.640 ( 6.958 -5.390 0.000) 8.801 18.659 ( -3.164 6.811 0.000) 7.511 18.770 ( -4.596 -5.010 0.000) 6.799 18.897 ( 1.889 3.796 0.000) 4.240 18.939 ( 2.694 -0.414 0.000) 2.725 18.996 ( -6.941 4.203 0.000) 8.114 19.050 ( -6.895 -1.422 0.000) 7.040 24.357 ( 1.267 0.870 0.000) 1.537 24.369 ( 1.534 -0.449 0.000) 1.598 24.372 ( -0.130 1.030 0.000) 1.039 24.386 ( -0.010 -0.525 0.000) 0.525 24.387 ( -1.254 1.205 0.000) 1.739 24.397 ( -2.202 1.370 0.000) 2.593 24.405 ( -1.460 -0.688 0.000) 1.614 24.417 ( -2.701 -0.738 0.000) 2.799 24.862 ( 2.256 0.742 0.000) 2.375 24.873 ( 2.126 -0.442 0.000) 2.171 24.886 ( 1.099 0.708 0.000) 1.307 24.896 ( 1.251 -0.291 0.000) 1.284 24.896 ( -0.692 0.725 0.000) 1.002 24.903 ( -1.229 0.517 0.000) 1.333 24.908 ( -0.950 -0.290 0.000) 0.993 24.913 ( -0.945 -0.278 0.000) 0.985 26.094 ( 8.770 3.304 0.000) 9.372 26.161 ( 6.753 -3.847 0.000) 7.772 26.244 ( -5.802 1.367 0.000) 5.961 26.246 ( 5.930 1.934 0.000) 6.238 26.271 ( -3.531 -1.247 0.000) 3.745 26.277 ( 4.553 -1.309 0.000) 4.737 26.302 ( 0.496 0.891 0.000) 1.020 26.336 ( 0.064 -2.571 0.000) 2.572 26.499 ( -2.073 4.166 0.000) 4.653 26.524 ( -2.423 0.498 0.000) 2.473 26.553 ( 1.045 -2.447 0.000) 2.660 26.581 ( -2.540 -4.574 0.000) 5.232 26.637 ( 3.070 0.622 0.000) 3.133 26.652 ( 3.119 -0.877 0.000) 3.240 26.720 ( -4.649 1.063 0.000) 4.769 26.743 ( -5.357 -1.304 0.000) 5.513 ======================= Grid point 45 (16/30) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 0.000 0.000 32.666) 32.666 0.894 ( 0.000 0.000 40.646) 40.646 0.980 ( 0.000 0.000 43.764) 43.764 1.277 ( 0.000 0.000 29.606) 29.606 1.401 ( 0.000 0.000 53.323) 53.323 1.607 ( 0.000 0.000 -24.762) 24.762 1.756 ( 0.000 0.000 -30.724) 30.724 1.872 ( 0.000 0.000 -14.111) 14.111 1.917 ( 0.000 0.000 -38.458) 38.458 1.944 ( 0.000 0.000 -1.135) 1.135 2.045 ( 0.000 0.000 12.008) 12.008 2.148 ( 0.000 0.000 8.446) 8.446 2.190 ( 0.000 0.000 -10.485) 10.485 2.322 ( 0.000 0.000 -2.616) 2.616 2.348 ( 0.000 0.000 7.888) 7.888 2.565 ( 0.000 0.000 -5.042) 5.042 2.586 ( 0.000 0.000 -16.510) 16.510 2.660 ( 0.000 0.000 -40.760) 40.760 2.710 ( 0.000 0.000 12.210) 12.210 2.773 ( 0.000 0.000 -5.560) 5.560 2.792 ( 0.000 0.000 2.867) 2.867 2.863 ( 0.000 0.000 -8.902) 8.902 2.900 ( 0.000 0.000 -5.251) 5.251 2.981 ( 0.000 0.000 6.343) 6.343 3.023 ( 0.000 0.000 -7.074) 7.074 3.051 ( 0.000 0.000 -1.304) 1.304 3.118 ( 0.000 0.000 13.200) 13.200 3.127 ( 0.000 0.000 1.291) 1.291 3.205 ( 0.000 0.000 7.526) 7.526 3.317 ( 0.000 0.000 -2.244) 2.244 3.384 ( 0.000 0.000 -2.866) 2.866 3.399 ( 0.000 0.000 -5.895) 5.895 3.423 ( 0.000 0.000 -13.834) 13.834 3.507 ( 0.000 0.000 -11.491) 11.491 3.573 ( 0.000 0.000 8.150) 8.150 3.651 ( 0.000 0.000 3.732) 3.732 3.736 ( 0.000 0.000 4.800) 4.800 3.792 ( 0.000 0.000 19.514) 19.514 3.836 ( 0.000 0.000 5.298) 5.298 3.851 ( 0.000 0.000 0.206) 0.206 3.890 ( 0.000 0.000 -7.432) 7.432 3.968 ( 0.000 0.000 0.534) 0.534 4.059 ( 0.000 0.000 -7.276) 7.276 4.081 ( 0.000 0.000 2.614) 2.614 4.110 ( 0.000 0.000 0.036) 0.036 4.182 ( 0.000 0.000 7.191) 7.191 4.198 ( 0.000 0.000 0.573) 0.573 4.252 ( 0.000 0.000 -19.365) 19.365 4.276 ( 0.000 0.000 3.382) 3.382 4.306 ( 0.000 0.000 1.533) 1.533 4.336 ( 0.000 0.000 3.223) 3.223 4.441 ( 0.000 0.000 -12.421) 12.421 4.459 ( 0.000 0.000 -7.001) 7.001 4.462 ( 0.000 0.000 0.869) 0.869 4.473 ( 0.000 0.000 -1.177) 1.177 4.497 ( 0.000 0.000 12.270) 12.270 4.544 ( 0.000 0.000 -0.487) 0.487 4.634 ( 0.000 0.000 17.825) 17.825 4.694 ( 0.000 0.000 -1.919) 1.919 4.746 ( 0.000 0.000 21.360) 21.360 4.781 ( 0.000 0.000 7.421) 7.421 4.828 ( 0.000 0.000 0.504) 0.504 4.845 ( 0.000 0.000 0.867) 0.867 4.922 ( 0.000 0.000 -4.037) 4.037 5.030 ( 0.000 0.000 0.049) 0.049 5.054 ( 0.000 0.000 -9.261) 9.261 5.075 ( 0.000 0.000 4.467) 4.467 5.229 ( 0.000 0.000 17.184) 17.184 5.343 ( 0.000 0.000 -16.882) 16.882 5.445 ( 0.000 0.000 20.678) 20.678 5.506 ( 0.000 0.000 0.526) 0.526 5.558 ( 0.000 0.000 1.151) 1.151 5.682 ( 0.000 0.000 -8.689) 8.689 5.803 ( 0.000 0.000 -18.764) 18.764 5.877 ( 0.000 0.000 7.498) 7.498 5.933 ( 0.000 0.000 -12.405) 12.405 6.451 ( 0.000 0.000 -9.719) 9.719 6.657 ( 0.000 0.000 22.146) 22.146 6.733 ( 0.000 0.000 30.386) 30.386 6.907 ( 0.000 0.000 10.465) 10.465 6.907 ( 0.000 0.000 -35.756) 35.756 6.925 ( 0.000 0.000 13.956) 13.956 7.020 ( 0.000 0.000 -1.201) 1.201 7.069 ( 0.000 0.000 1.435) 1.435 7.143 ( 0.000 0.000 -4.802) 4.802 7.377 ( 0.000 0.000 -9.015) 9.015 7.388 ( 0.000 0.000 -25.447) 25.447 7.495 ( 0.000 0.000 -24.154) 24.154 7.865 ( 0.000 0.000 21.778) 21.778 8.009 ( 0.000 0.000 4.050) 4.050 8.089 ( 0.000 0.000 -2.763) 2.763 8.138 ( 0.000 0.000 2.848) 2.848 8.167 ( 0.000 0.000 -0.450) 0.450 8.318 ( 0.000 0.000 -16.294) 16.294 8.552 ( 0.000 0.000 24.606) 24.606 8.674 ( 0.000 0.000 4.060) 4.060 8.712 ( 0.000 0.000 10.109) 10.109 8.813 ( 0.000 0.000 -8.795) 8.795 9.036 ( 0.000 0.000 8.881) 8.881 9.344 ( 0.000 0.000 -15.208) 15.208 9.345 ( 0.000 0.000 12.716) 12.716 9.487 ( 0.000 0.000 -8.090) 8.090 9.526 ( 0.000 0.000 -8.141) 8.141 9.599 ( 0.000 0.000 -10.535) 10.535 9.799 ( 0.000 0.000 18.196) 18.196 9.859 ( 0.000 0.000 2.916) 2.916 9.896 ( 0.000 0.000 -0.723) 0.723 9.963 ( 0.000 0.000 4.721) 4.721 10.237 ( 0.000 0.000 -3.046) 3.046 10.360 ( 0.000 0.000 -1.203) 1.203 10.362 ( 0.000 0.000 -1.106) 1.106 10.388 ( 0.000 0.000 -18.567) 18.567 10.546 ( 0.000 0.000 9.299) 9.299 10.660 ( 0.000 0.000 4.153) 4.153 10.684 ( 0.000 0.000 -2.966) 2.966 10.768 ( 0.000 0.000 -4.938) 4.938 11.282 ( 0.000 0.000 14.739) 14.739 11.381 ( 0.000 0.000 0.590) 0.590 11.426 ( 0.000 0.000 6.081) 6.081 11.434 ( 0.000 0.000 3.977) 3.977 11.544 ( 0.000 0.000 -3.133) 3.133 11.591 ( 0.000 0.000 -5.381) 5.381 11.648 ( 0.000 0.000 -0.268) 0.268 11.766 ( 0.000 0.000 -0.061) 0.061 11.781 ( 0.000 0.000 -1.543) 1.543 11.786 ( 0.000 0.000 -0.906) 0.906 11.801 ( 0.000 0.000 -6.213) 6.213 11.804 ( 0.000 0.000 -0.547) 0.547 12.282 ( 0.000 0.000 12.951) 12.951 12.415 ( 0.000 0.000 4.249) 4.249 12.872 ( 0.000 0.000 -7.705) 7.705 12.985 ( 0.000 0.000 -13.255) 13.255 13.399 ( 0.000 0.000 2.531) 2.531 13.483 ( 0.000 0.000 -5.455) 5.455 13.924 ( 0.000 0.000 14.965) 14.965 14.299 ( 0.000 0.000 -19.870) 19.870 15.370 ( 0.000 0.000 28.321) 28.321 15.989 ( 0.000 0.000 -28.507) 28.507 16.139 ( 0.000 0.000 17.805) 17.805 16.447 ( 0.000 0.000 -3.464) 3.464 16.891 ( 0.000 0.000 -1.335) 1.335 17.104 ( 0.000 0.000 -14.390) 14.390 17.160 ( 0.000 0.000 19.163) 19.163 17.486 ( 0.000 0.000 -10.690) 10.690 17.579 ( 0.000 0.000 4.335) 4.335 17.644 ( 0.000 0.000 1.948) 1.948 17.674 ( 0.000 0.000 -2.954) 2.954 17.688 ( 0.000 0.000 -1.694) 1.694 17.938 ( 0.000 0.000 1.390) 1.390 17.950 ( 0.000 0.000 5.151) 5.151 17.986 ( 0.000 0.000 -3.010) 3.010 18.014 ( 0.000 0.000 -1.355) 1.355 18.136 ( 0.000 0.000 3.604) 3.604 18.202 ( 0.000 0.000 -2.289) 2.289 18.336 ( 0.000 0.000 9.469) 9.469 18.407 ( 0.000 0.000 0.808) 0.808 18.426 ( 0.000 0.000 -0.770) 0.770 18.528 ( 0.000 0.000 -6.898) 6.898 18.726 ( 0.000 0.000 -0.730) 0.730 18.728 ( 0.000 0.000 -1.033) 1.033 24.398 ( 0.000 0.000 2.157) 2.157 24.433 ( 0.000 0.000 0.107) 0.107 24.436 ( 0.000 0.000 -0.143) 0.143 24.441 ( 0.000 0.000 -1.185) 1.185 24.478 ( 0.000 0.000 0.791) 0.791 24.509 ( 0.000 0.000 0.351) 0.351 24.517 ( 0.000 0.000 -0.312) 0.312 24.525 ( 0.000 0.000 -4.046) 4.046 24.570 ( 0.000 0.000 0.521) 0.521 24.582 ( 0.000 0.000 -0.480) 0.480 24.733 ( 0.000 0.000 1.250) 1.250 24.745 ( 0.000 0.000 -0.266) 0.266 24.762 ( 0.000 0.000 0.049) 0.049 24.763 ( 0.000 0.000 -0.045) 0.045 24.819 ( 0.000 0.000 5.633) 5.633 24.935 ( 0.000 0.000 -4.291) 4.291 25.329 ( 0.000 0.000 6.429) 6.429 25.518 ( 0.000 0.000 -10.601) 10.601 25.885 ( 0.000 0.000 2.315) 2.315 25.959 ( 0.000 0.000 -4.382) 4.382 26.096 ( 0.000 0.000 12.470) 12.470 26.231 ( 0.000 0.000 2.175) 2.175 26.276 ( 0.000 0.000 -1.945) 1.945 26.356 ( 0.000 0.000 -11.402) 11.402 26.431 ( 0.000 0.000 5.108) 5.108 26.526 ( 0.000 0.000 -2.996) 2.996 26.827 ( 0.000 0.000 8.371) 8.371 26.925 ( 0.000 0.000 0.719) 0.719 26.945 ( 0.000 0.000 -0.899) 0.899 26.996 ( 0.000 0.000 -7.291) 7.291 27.256 ( 0.000 0.000 4.479) 4.479 27.332 ( 0.000 0.000 -2.471) 2.471 ======================= Grid point 46 (17/30) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 6.059 0.000 25.163) 25.882 0.983 ( 13.246 0.000 24.608) 27.946 1.274 ( 14.201 0.000 21.514) 25.778 1.507 ( 1.838 0.000 -11.040) 11.192 1.605 ( 15.950 0.000 -2.738) 16.183 1.778 ( -1.099 0.000 -33.520) 33.538 1.914 ( 0.301 0.000 -0.818) 0.872 1.924 ( 12.464 0.000 -21.837) 25.144 2.066 ( 19.808 0.000 23.353) 30.622 2.123 ( 11.622 0.000 5.082) 12.685 2.206 ( 23.381 0.000 18.029) 29.525 2.279 ( 22.785 0.000 -7.901) 24.116 2.323 ( 14.761 0.000 0.393) 14.767 2.400 ( 7.781 0.000 -4.362) 8.921 2.433 ( 7.589 0.000 -4.095) 8.623 2.650 ( -0.030 0.000 -7.251) 7.252 2.651 ( 5.003 0.000 -2.223) 5.475 2.774 ( 4.274 0.000 11.072) 11.869 2.789 ( 7.568 0.000 0.805) 7.610 2.816 ( 4.998 0.000 -1.965) 5.371 2.824 ( 1.365 0.000 3.425) 3.687 2.928 ( 8.646 0.000 -9.711) 13.003 2.935 ( 0.664 0.000 -1.659) 1.787 3.033 ( 2.512 0.000 4.372) 5.042 3.080 ( 0.618 0.000 13.046) 13.061 3.117 ( 2.432 0.000 1.408) 2.810 3.135 ( 1.735 0.000 14.442) 14.546 3.173 ( 20.708 0.000 -29.231) 35.823 3.258 ( 6.242 0.000 0.979) 6.318 3.299 ( 1.813 0.000 -1.362) 2.268 3.364 ( 1.019 0.000 -5.101) 5.202 3.454 ( 5.735 0.000 -11.468) 12.822 3.516 ( 1.187 0.000 -3.735) 3.919 3.541 ( 8.082 0.000 -12.426) 14.823 3.625 ( -0.360 0.000 2.415) 2.442 3.650 ( -3.081 0.000 6.837) 7.499 3.694 ( 2.654 0.000 6.481) 7.004 3.727 ( -6.753 0.000 8.693) 11.008 3.837 ( -0.001 0.000 -1.687) 1.687 3.852 ( 0.540 0.000 6.089) 6.113 3.925 ( -0.706 0.000 -6.849) 6.886 3.947 ( -1.193 0.000 -4.123) 4.292 3.998 ( -5.891 0.000 -9.314) 11.021 4.007 ( -9.238 0.000 2.437) 9.555 4.126 ( 0.899 0.000 -3.908) 4.010 4.157 ( -0.201 0.000 -1.925) 1.936 4.191 ( -6.533 0.000 -0.102) 6.534 4.198 ( 0.250 0.000 -1.819) 1.836 4.252 ( 0.229 0.000 4.250) 4.256 4.305 ( -1.265 0.000 -1.933) 2.310 4.339 ( 0.723 0.000 2.668) 2.764 4.395 ( -1.894 0.000 -0.605) 1.988 4.429 ( -2.806 0.000 -0.416) 2.836 4.440 ( -0.616 0.000 6.074) 6.105 4.450 ( -3.328 0.000 -5.059) 6.056 4.535 ( 4.345 0.000 2.657) 5.093 4.598 ( 3.207 0.000 1.289) 3.457 4.662 ( -0.244 0.000 -6.639) 6.644 4.717 ( 8.092 0.000 14.432) 16.546 4.786 ( 1.987 0.000 10.288) 10.478 4.789 ( 7.254 0.000 15.081) 16.734 4.840 ( -0.326 0.000 0.461) 0.565 4.910 ( 0.404 0.000 -1.205) 1.271 4.989 ( -0.349 0.000 -8.816) 8.823 5.048 ( 6.328 0.000 0.201) 6.331 5.098 ( 3.513 0.000 4.608) 5.794 5.141 ( 6.336 0.000 -7.917) 10.140 5.313 ( 2.488 0.000 -11.577) 11.841 5.353 ( 3.603 0.000 2.450) 4.357 5.439 ( -2.732 0.000 0.268) 2.745 5.480 ( 6.780 0.000 17.435) 18.707 5.598 ( 3.893 0.000 -2.992) 4.910 5.639 ( -10.793 0.000 2.047) 10.985 5.811 ( 1.983 0.000 -0.136) 1.987 5.855 ( 3.210 0.000 -11.857) 12.283 5.963 ( 6.188 0.000 -5.476) 8.263 6.263 ( -13.789 0.000 -11.107) 17.706 6.592 ( -5.844 0.000 20.510) 21.326 6.637 ( -15.280 0.000 -26.155) 30.291 6.780 ( 3.165 0.000 18.834) 19.098 6.955 ( 0.892 0.000 14.868) 14.894 7.005 ( 6.908 0.000 4.761) 8.390 7.101 ( 9.293 0.000 7.681) 12.057 7.199 ( 10.220 0.000 2.031) 10.420 7.269 ( 2.911 0.000 -9.873) 10.293 7.420 ( 0.755 0.000 -11.715) 11.739 7.495 ( 8.623 0.000 -7.106) 11.174 7.539 ( 3.057 0.000 -15.028) 15.336 7.790 ( -2.384 0.000 8.177) 8.518 7.985 ( -1.119 0.000 4.213) 4.359 7.996 ( -8.180 0.000 -4.379) 9.278 8.083 ( -1.482 0.000 -0.383) 1.531 8.168 ( 0.625 0.000 1.658) 1.772 8.276 ( -4.426 0.000 -9.210) 10.218 8.624 ( -1.889 0.000 5.934) 6.228 8.662 ( 7.794 0.000 19.728) 21.212 8.798 ( -1.039 0.000 -8.988) 9.048 8.909 ( 13.840 0.000 3.084) 14.179 9.064 ( 1.521 0.000 9.296) 9.420 9.273 ( -2.001 0.000 9.737) 9.940 9.319 ( -2.385 0.000 -14.678) 14.870 9.481 ( 0.300 0.000 -11.595) 11.599 9.525 ( -11.413 0.000 7.046) 13.413 9.630 ( -1.854 0.000 -6.235) 6.505 9.723 ( 4.141 0.000 5.627) 6.986 9.876 ( -4.272 0.000 -1.154) 4.425 9.952 ( 7.325 0.000 3.482) 8.111 10.018 ( 8.620 0.000 -1.532) 8.755 10.224 ( -1.629 0.000 -3.314) 3.693 10.276 ( -6.810 0.000 -0.410) 6.823 10.307 ( -5.508 0.000 -9.324) 10.829 10.313 ( -4.465 0.000 -1.878) 4.844 10.561 ( -0.567 0.000 7.292) 7.314 10.655 ( 0.285 0.000 1.891) 1.912 10.675 ( -0.847 0.000 -2.112) 2.275 10.745 ( -1.767 0.000 -4.256) 4.608 11.139 ( -13.084 0.000 6.457) 14.591 11.160 ( -16.091 0.000 2.841) 16.340 11.339 ( -8.697 0.000 9.775) 13.084 11.452 ( -0.505 0.000 -0.743) 0.899 11.506 ( -2.172 0.000 1.757) 2.793 11.567 ( -4.455 0.000 -2.177) 4.958 11.653 ( -1.633 0.000 -1.439) 2.177 11.676 ( -11.670 0.000 -0.531) 11.682 11.702 ( -2.001 0.000 -1.264) 2.367 11.738 ( -0.833 0.000 -3.903) 3.991 11.873 ( 5.364 0.000 4.478) 6.987 12.048 ( 9.918 0.000 -10.428) 14.392 12.448 ( 14.841 0.000 11.930) 19.041 12.540 ( 13.220 0.000 7.167) 15.037 13.007 ( 12.003 0.000 2.455) 12.251 13.203 ( 14.135 0.000 -11.662) 18.324 13.284 ( -11.327 0.000 -7.178) 13.409 13.324 ( -0.655 0.000 -11.953) 11.971 13.756 ( -15.804 0.000 16.437) 22.802 14.163 ( -14.100 0.000 -21.440) 25.661 15.308 ( -2.657 0.000 28.808) 28.930 15.920 ( -5.117 0.000 -26.780) 27.264 15.957 ( -15.967 0.000 15.634) 22.346 16.235 ( -16.873 0.000 -5.236) 17.667 16.575 ( -25.380 0.000 3.342) 25.599 16.759 ( -27.632 0.000 -9.436) 29.199 17.130 ( -0.316 0.000 15.834) 15.838 17.425 ( -0.418 0.000 -10.325) 10.334 17.642 ( 0.143 0.000 4.747) 4.749 17.680 ( 3.368 0.000 7.658) 8.366 17.729 ( 1.738 0.000 -2.114) 2.737 17.828 ( 9.220 0.000 -1.107) 9.286 17.881 ( 2.265 0.000 -0.368) 2.295 17.923 ( 1.184 0.000 -7.381) 7.476 18.025 ( -0.743 0.000 -0.931) 1.191 18.026 ( -0.778 0.000 -0.426) 0.887 18.288 ( 6.893 0.000 2.596) 7.366 18.315 ( 8.959 0.000 0.325) 8.965 18.517 ( 12.889 0.000 5.825) 14.144 18.531 ( 12.518 0.000 3.754) 13.069 18.606 ( 13.755 0.000 -1.041) 13.794 18.670 ( 7.538 0.000 -5.627) 9.407 18.726 ( 0.486 0.000 1.681) 1.750 18.769 ( 6.004 0.000 -1.752) 6.254 24.373 ( -1.959 0.000 2.091) 2.865 24.395 ( -1.565 0.000 1.820) 2.400 24.406 ( -1.850 0.000 -0.661) 1.965 24.429 ( -1.249 0.000 -1.706) 2.114 24.453 ( -0.519 0.000 1.534) 1.620 24.484 ( -1.999 0.000 -0.381) 2.035 24.528 ( 0.156 0.000 -0.294) 0.333 24.543 ( 0.733 0.000 -2.493) 2.599 24.641 ( 4.332 0.000 -0.040) 4.333 24.642 ( 4.825 0.000 -0.098) 4.826 24.720 ( 0.054 0.000 2.489) 2.490 24.757 ( 0.597 0.000 -1.133) 1.281 24.819 ( 4.233 0.000 1.111) 4.377 24.847 ( 2.042 0.000 3.612) 4.149 24.865 ( 5.564 0.000 -3.717) 6.691 24.931 ( -0.337 0.000 -3.386) 3.403 25.410 ( 7.009 0.000 4.792) 8.490 25.574 ( 5.392 0.000 -9.746) 11.139 25.924 ( 3.728 0.000 2.024) 4.242 25.990 ( 2.967 0.000 -3.946) 4.937 26.117 ( 2.124 0.000 11.297) 11.495 26.231 ( 0.371 0.000 1.947) 1.982 26.279 ( 0.489 0.000 -1.253) 1.345 26.363 ( 0.856 0.000 -9.233) 9.272 26.442 ( 1.055 0.000 3.871) 4.012 26.530 ( 0.458 0.000 -3.002) 3.036 26.781 ( -4.352 0.000 7.325) 8.520 26.885 ( -3.896 0.000 0.244) 3.903 26.898 ( -3.695 0.000 0.136) 3.697 26.932 ( -5.699 0.000 -6.069) 8.325 27.154 ( -8.560 0.000 3.488) 9.243 27.195 ( -8.639 0.000 0.100) 8.639 ======================= Grid point 47 (18/30) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 10.420 0.000 -4.071) 11.187 1.218 ( 3.696 0.000 -21.393) 21.710 1.439 ( 9.598 0.000 4.634) 10.659 1.684 ( 15.408 0.000 -12.574) 19.887 1.748 ( 2.655 0.000 -7.098) 7.578 1.794 ( -3.134 0.000 -7.891) 8.491 2.023 ( 3.550 0.000 -3.033) 4.669 2.064 ( 13.253 0.000 -1.499) 13.338 2.276 ( 10.498 0.000 6.174) 12.179 2.284 ( 2.663 0.000 5.725) 6.314 2.457 ( -2.861 0.000 -9.097) 9.536 2.463 ( -0.918 0.000 -7.720) 7.775 2.521 ( 0.997 0.000 9.259) 9.313 2.686 ( 9.099 0.000 -7.126) 11.557 2.742 ( 5.295 0.000 2.269) 5.761 2.765 ( 6.241 0.000 -1.310) 6.377 2.817 ( 1.242 0.000 8.031) 8.127 2.851 ( 5.040 0.000 0.418) 5.057 2.877 ( 3.210 0.000 4.952) 5.901 2.916 ( 5.118 0.000 1.060) 5.227 2.943 ( 2.712 0.000 7.149) 7.646 2.978 ( 1.638 0.000 3.816) 4.153 3.055 ( 4.292 0.000 10.480) 11.325 3.119 ( 13.174 0.000 10.503) 16.848 3.135 ( -1.971 0.000 1.264) 2.342 3.157 ( 0.667 0.000 12.300) 12.318 3.230 ( 2.185 0.000 4.472) 4.977 3.261 ( -5.242 0.000 -1.831) 5.553 3.314 ( 5.063 0.000 9.638) 10.887 3.425 ( -1.774 0.000 -5.264) 5.555 3.478 ( 16.443 0.000 6.381) 17.638 3.518 ( 0.970 0.000 3.511) 3.643 3.576 ( -2.443 0.000 -0.691) 2.539 3.692 ( -6.044 0.000 -0.166) 6.046 3.695 ( 3.521 0.000 3.036) 4.649 3.713 ( 8.055 0.000 -6.439) 10.313 3.730 ( 2.445 0.000 -1.009) 2.645 3.758 ( 9.497 0.000 2.206) 9.750 3.767 ( -0.962 0.000 -1.070) 1.438 3.798 ( -2.982 0.000 -4.958) 5.785 3.861 ( 2.270 0.000 -0.510) 2.326 3.937 ( 5.383 0.000 -7.757) 9.442 3.996 ( 1.953 0.000 1.461) 2.439 4.051 ( 1.165 0.000 -1.964) 2.284 4.071 ( -8.438 0.000 -4.124) 9.392 4.134 ( -0.951 0.000 -1.732) 1.976 4.156 ( 1.421 0.000 -6.455) 6.609 4.214 ( 28.549 0.000 -22.374) 36.271 4.246 ( 0.078 0.000 5.356) 5.356 4.280 ( 0.397 0.000 10.331) 10.339 4.335 ( -1.038 0.000 -0.041) 1.039 4.410 ( 4.541 0.000 -7.053) 8.388 4.419 ( 1.000 0.000 -2.483) 2.677 4.447 ( 3.884 0.000 -1.446) 4.145 4.475 ( 0.626 0.000 4.492) 4.536 4.621 ( 0.543 0.000 -5.286) 5.314 4.682 ( 0.190 0.000 -3.328) 3.333 4.690 ( 3.397 0.000 -3.280) 4.723 4.809 ( 4.888 0.000 10.995) 12.032 4.872 ( 5.145 0.000 10.199) 11.423 4.878 ( -1.236 0.000 5.316) 5.458 4.958 ( 10.928 0.000 4.620) 11.865 4.966 ( 4.663 0.000 1.122) 4.796 5.028 ( 12.316 0.000 -7.791) 14.573 5.094 ( -3.790 0.000 -3.536) 5.183 5.214 ( 5.158 0.000 9.405) 10.727 5.274 ( 9.507 0.000 -7.373) 12.031 5.304 ( 0.779 0.000 1.122) 1.366 5.430 ( 0.946 0.000 7.574) 7.633 5.482 ( 5.945 0.000 -12.245) 13.612 5.487 ( 2.049 0.000 -1.494) 2.535 5.603 ( -3.663 0.000 -1.399) 3.921 5.809 ( 21.380 0.000 3.633) 21.686 5.883 ( 10.771 0.000 -7.282) 13.001 5.992 ( -8.947 0.000 -14.873) 17.357 6.027 ( 7.202 0.000 -11.820) 13.842 6.212 ( 17.390 0.000 5.779) 18.325 6.473 ( -3.855 0.000 15.614) 16.083 6.476 ( 2.702 0.000 -14.124) 14.380 6.778 ( -3.750 0.000 -4.600) 5.935 6.904 ( -7.356 0.000 17.988) 19.434 7.079 ( -1.633 0.000 -0.070) 1.635 7.190 ( -9.833 0.000 16.375) 19.101 7.346 ( 6.219 0.000 14.380) 15.667 7.363 ( 10.672 0.000 -5.373) 11.949 7.554 ( 13.351 0.000 -1.609) 13.448 7.592 ( 9.113 0.000 3.848) 9.892 7.690 ( 8.276 0.000 -7.843) 11.402 7.799 ( -9.729 0.000 -1.969) 9.927 7.827 ( 9.087 0.000 -4.943) 10.344 8.064 ( 3.417 0.000 -4.202) 5.416 8.075 ( -2.761 0.000 -4.365) 5.165 8.201 ( 6.249 0.000 0.692) 6.287 8.232 ( 1.990 0.000 -1.515) 2.501 8.593 ( -1.683 0.000 3.964) 4.306 8.708 ( -2.150 0.000 -5.151) 5.582 8.829 ( -4.946 0.000 11.206) 12.249 8.955 ( -5.577 0.000 13.804) 14.889 9.117 ( -5.988 0.000 -11.179) 12.682 9.246 ( -1.738 0.000 -7.266) 7.471 9.320 ( 5.048 0.000 8.353) 9.759 9.371 ( 3.177 0.000 5.640) 6.473 9.421 ( -1.279 0.000 -4.035) 4.233 9.542 ( 0.763 0.000 -10.147) 10.176 9.890 ( 8.483 0.000 0.101) 8.484 9.939 ( 5.986 0.000 -2.918) 6.660 10.063 ( 1.004 0.000 -0.043) 1.005 10.069 ( -6.462 0.000 1.579) 6.652 10.122 ( -7.648 0.000 3.949) 8.607 10.146 ( -7.644 0.000 -3.735) 8.508 10.179 ( -6.719 0.000 -7.054) 9.742 10.196 ( -4.447 0.000 -2.532) 5.118 10.553 ( -2.628 0.000 8.262) 8.670 10.684 ( 4.639 0.000 1.838) 4.990 10.694 ( -6.581 0.000 -4.224) 7.820 10.740 ( 7.013 0.000 -2.556) 7.465 10.810 ( -12.748 0.000 2.320) 12.957 10.816 ( -15.556 0.000 2.359) 15.734 11.125 ( -11.241 0.000 10.442) 15.342 11.280 ( -17.855 0.000 -3.125) 18.126 11.336 ( -16.505 0.000 -0.122) 16.505 11.356 ( -13.436 0.000 -1.656) 13.537 11.516 ( 0.794 0.000 2.232) 2.369 11.601 ( -2.403 0.000 -4.560) 5.154 11.714 ( 1.222 0.000 0.768) 1.443 11.749 ( -0.906 0.000 -1.541) 1.788 11.952 ( 1.140 0.000 5.242) 5.364 12.047 ( -6.657 0.000 -2.178) 7.004 12.681 ( -2.998 0.000 3.288) 4.450 12.845 ( 9.311 0.000 -9.353) 13.197 13.045 ( 2.895 0.000 14.387) 14.675 13.305 ( 19.557 0.000 3.942) 19.950 13.341 ( -16.338 0.000 16.023) 22.883 13.520 ( 16.384 0.000 -13.819) 21.433 13.720 ( 25.329 0.000 -15.683) 29.791 13.750 ( -21.603 0.000 -18.521) 28.455 15.352 ( 4.054 0.000 20.710) 21.103 15.606 ( -13.415 0.000 15.951) 20.842 15.683 ( -20.517 0.000 -9.379) 22.559 15.983 ( -21.535 0.000 4.599) 22.021 16.092 ( -1.440 0.000 -21.646) 21.694 16.147 ( -30.516 0.000 -4.692) 30.874 17.187 ( 4.748 0.000 15.209) 15.933 17.367 ( -7.966 0.000 2.432) 8.329 17.650 ( 0.813 0.000 5.810) 5.867 17.706 ( 0.478 0.000 -0.305) 0.566 17.821 ( 8.868 0.000 -3.094) 9.392 17.909 ( 1.388 0.000 -4.299) 4.517 17.940 ( -0.763 0.000 -2.556) 2.667 17.969 ( -3.663 0.000 -6.366) 7.345 18.042 ( 6.432 0.000 -3.996) 7.572 18.042 ( 4.592 0.000 -0.708) 4.646 18.370 ( 2.175 0.000 7.455) 7.766 18.465 ( 4.772 0.000 0.301) 4.781 18.687 ( 1.025 0.000 -0.446) 1.118 18.691 ( 2.911 0.000 -0.557) 2.964 18.780 ( 4.825 0.000 4.613) 6.676 18.820 ( 10.577 0.000 0.115) 10.578 18.866 ( 9.715 0.000 2.418) 10.011 18.976 ( 8.816 0.000 -5.409) 10.343 24.343 ( -1.006 0.000 1.523) 1.825 24.371 ( -0.917 0.000 1.148) 1.469 24.372 ( -1.436 0.000 -0.868) 1.678 24.400 ( -1.463 0.000 -1.548) 2.130 24.426 ( -1.769 0.000 0.599) 1.868 24.440 ( -2.188 0.000 -0.346) 2.215 24.528 ( -2.131 0.000 -0.026) 2.131 24.530 ( -0.843 0.000 -0.144) 0.855 24.725 ( 3.882 0.000 0.496) 3.913 24.739 ( 4.157 0.000 -0.618) 4.203 24.762 ( 3.737 0.000 1.148) 3.909 24.787 ( 2.428 0.000 -0.891) 2.587 24.881 ( 1.164 0.000 1.712) 2.070 24.895 ( 2.706 0.000 1.401) 3.047 24.921 ( -0.681 0.000 -1.704) 1.835 24.929 ( 1.242 0.000 -1.465) 1.921 25.591 ( 10.500 0.000 4.077) 11.263 25.726 ( 9.053 0.000 -7.997) 12.079 26.028 ( 6.129 0.000 1.315) 6.268 26.073 ( 4.927 0.000 -2.795) 5.664 26.179 ( 3.748 0.000 7.855) 8.704 26.251 ( 1.440 0.000 0.613) 1.565 26.305 ( 2.215 0.000 0.921) 2.398 26.398 ( 2.562 0.000 -6.311) 6.811 26.474 ( 2.096 0.000 2.949) 3.618 26.548 ( 1.343 0.000 -2.851) 3.151 26.663 ( -6.663 0.000 4.822) 8.225 26.753 ( -8.790 0.000 -2.941) 9.269 26.814 ( -5.194 0.000 -0.932) 5.277 26.819 ( -3.852 0.000 -0.579) 3.896 26.969 ( -8.645 0.000 3.702) 9.404 27.032 ( -7.590 0.000 -2.004) 7.850 ======================= Grid point 48 (19/30) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 8.160 0.000 -9.045) 12.181 1.320 ( 18.345 0.000 -9.985) 20.886 1.661 ( 8.324 0.000 -1.024) 8.387 1.700 ( 1.007 0.000 -6.768) 6.842 1.792 ( 6.555 0.000 2.908) 7.172 1.964 ( 4.898 0.000 -10.314) 11.418 2.226 ( -1.674 0.000 2.822) 3.281 2.271 ( 10.047 0.000 2.696) 10.402 2.288 ( 3.572 0.000 -2.058) 4.123 2.336 ( -9.546 0.000 -6.851) 11.749 2.381 ( -1.642 0.000 11.369) 11.487 2.385 ( -4.376 0.000 6.863) 8.139 2.454 ( 0.713 0.000 1.665) 1.812 2.640 ( -6.896 0.000 -6.363) 9.382 2.711 ( -5.898 0.000 8.844) 10.630 2.798 ( -1.081 0.000 5.198) 5.310 2.848 ( -9.952 0.000 -0.474) 9.963 2.878 ( 4.387 0.000 -4.123) 6.021 2.896 ( -1.485 0.000 9.649) 9.763 2.967 ( -4.482 0.000 3.221) 5.520 3.008 ( -2.218 0.000 2.804) 3.575 3.016 ( 4.258 0.000 0.825) 4.337 3.039 ( -0.515 0.000 3.441) 3.479 3.097 ( -4.274 0.000 -4.250) 6.028 3.125 ( -0.651 0.000 -1.207) 1.372 3.128 ( 5.760 0.000 -6.854) 8.953 3.182 ( -2.484 0.000 7.898) 8.279 3.239 ( -3.331 0.000 8.643) 9.263 3.328 ( -0.577 0.000 -5.384) 5.414 3.430 ( -2.642 0.000 -1.640) 3.110 3.451 ( -3.918 0.000 -1.493) 4.193 3.530 ( -5.755 0.000 2.566) 6.301 3.552 ( -1.080 0.000 0.073) 1.083 3.564 ( -4.074 0.000 -1.325) 4.284 3.569 ( -0.613 0.000 2.259) 2.341 3.713 ( -2.674 0.000 -6.348) 6.889 3.726 ( 0.805 0.000 0.724) 1.083 3.809 ( -0.952 0.000 -10.878) 10.919 3.913 ( 2.919 0.000 6.731) 7.337 3.954 ( 4.071 0.000 5.913) 7.179 3.966 ( 1.724 0.000 8.176) 8.356 4.033 ( -1.024 0.000 -6.377) 6.459 4.135 ( 5.473 0.000 -0.337) 5.484 4.135 ( 1.913 0.000 1.851) 2.663 4.187 ( 2.599 0.000 -3.416) 4.292 4.191 ( 1.136 0.000 -2.195) 2.472 4.215 ( 15.136 0.000 3.346) 15.501 4.257 ( 4.454 0.000 3.817) 5.866 4.325 ( 2.720 0.000 -0.253) 2.732 4.372 ( -0.072 0.000 -3.324) 3.324 4.399 ( 7.382 0.000 -0.248) 7.386 4.465 ( -0.377 0.000 4.018) 4.036 4.501 ( -0.828 0.000 -5.466) 5.528 4.509 ( 6.464 0.000 0.552) 6.487 4.536 ( -4.318 0.000 -6.717) 7.985 4.582 ( -1.020 0.000 0.660) 1.215 4.731 ( 4.687 0.000 -3.456) 5.824 4.786 ( 4.637 0.000 -4.379) 6.378 4.872 ( 0.313 0.000 1.810) 1.837 4.878 ( -5.216 0.000 -2.329) 5.713 5.014 ( 10.697 0.000 4.417) 11.573 5.079 ( 12.420 0.000 12.580) 17.678 5.115 ( 6.650 0.000 1.428) 6.802 5.200 ( 8.130 0.000 4.467) 9.276 5.256 ( 6.129 0.000 -8.124) 10.177 5.291 ( 7.358 0.000 -0.627) 7.385 5.332 ( 0.826 0.000 6.363) 6.417 5.489 ( 2.928 0.000 2.433) 3.807 5.573 ( 0.244 0.000 -9.989) 9.992 5.598 ( 8.220 0.000 2.430) 8.572 5.675 ( 19.173 0.000 -8.838) 21.112 5.683 ( 22.429 0.000 -9.545) 24.376 5.860 ( 2.491 0.000 -4.974) 5.563 6.056 ( 12.669 0.000 -18.514) 22.434 6.220 ( 7.814 0.000 10.279) 12.911 6.360 ( 13.480 0.000 0.455) 13.488 6.516 ( 15.075 0.000 -0.083) 15.076 6.537 ( 3.383 0.000 4.079) 5.299 6.629 ( 2.732 0.000 8.619) 9.042 6.754 ( -3.357 0.000 -9.499) 10.075 6.828 ( 20.658 0.000 9.283) 22.648 6.968 ( -10.787 0.000 18.888) 21.751 7.023 ( 5.750 0.000 -8.463) 10.231 7.344 ( -12.725 0.000 -11.884) 17.411 7.446 ( 4.503 0.000 18.501) 19.041 7.697 ( 1.770 0.000 12.644) 12.767 7.792 ( 9.082 0.000 -11.117) 14.355 7.893 ( 11.361 0.000 -4.605) 12.259 7.955 ( 5.743 0.000 -0.323) 5.752 8.028 ( 0.717 0.000 -5.765) 5.809 8.100 ( 5.919 0.000 5.584) 8.137 8.204 ( 16.631 0.000 -1.428) 16.692 8.204 ( 8.899 0.000 4.375) 9.916 8.337 ( -1.246 0.000 -4.769) 4.929 8.549 ( -1.171 0.000 2.719) 2.961 8.569 ( -2.788 0.000 1.508) 3.170 8.714 ( 1.530 0.000 -6.429) 6.608 8.741 ( -13.993 0.000 -9.035) 16.657 9.077 ( 9.049 0.000 9.933) 13.437 9.244 ( -0.761 0.000 -0.459) 0.889 9.421 ( 4.209 0.000 4.325) 6.035 9.500 ( 3.986 0.000 5.398) 6.710 9.512 ( -5.909 0.000 -8.773) 10.577 9.578 ( 7.288 0.000 -0.382) 7.298 9.776 ( -16.716 0.000 -0.439) 16.722 9.831 ( -14.707 0.000 -2.168) 14.866 9.900 ( -11.036 0.000 2.058) 11.226 9.955 ( -10.903 0.000 -4.161) 11.670 10.015 ( -5.778 0.000 -0.333) 5.788 10.021 ( -6.066 0.000 2.825) 6.692 10.153 ( 3.508 0.000 -5.266) 6.328 10.165 ( -0.438 0.000 -0.824) 0.933 10.333 ( -16.514 0.000 1.911) 16.625 10.395 ( -3.925 0.000 -3.383) 5.182 10.607 ( -10.053 0.000 6.343) 11.887 10.737 ( -22.906 0.000 2.024) 22.995 10.753 ( 2.363 0.000 -2.900) 3.741 10.799 ( -0.380 0.000 2.710) 2.737 10.929 ( -7.067 0.000 8.677) 11.191 11.032 ( 6.609 0.000 -1.795) 6.849 11.069 ( -0.659 0.000 -1.115) 1.295 11.179 ( -3.545 0.000 -7.455) 8.255 11.519 ( -0.460 0.000 0.252) 0.524 11.540 ( -4.171 0.000 -1.149) 4.327 11.684 ( -4.513 0.000 0.950) 4.612 11.698 ( -3.038 0.000 -0.396) 3.063 11.869 ( -9.898 0.000 0.005) 9.898 11.891 ( -6.950 0.000 -2.301) 7.321 12.506 ( -7.519 0.000 13.940) 15.839 12.769 ( -19.743 0.000 20.545) 28.494 12.899 ( -0.905 0.000 -18.389) 18.412 13.232 ( -19.860 0.000 -20.081) 28.243 13.593 ( 25.942 0.000 12.575) 28.829 13.818 ( 26.383 0.000 2.236) 26.478 14.006 ( 23.797 0.000 -4.499) 24.219 14.234 ( 23.957 0.000 -14.720) 28.118 15.130 ( -18.038 0.000 3.696) 18.413 15.208 ( -24.945 0.000 -2.959) 25.120 15.490 ( -21.951 0.000 4.432) 22.394 15.550 ( -27.748 0.000 -1.063) 27.768 15.754 ( 19.191 0.000 23.550) 30.379 16.309 ( 16.104 0.000 -25.899) 30.498 17.099 ( -17.430 0.000 12.575) 21.493 17.233 ( -2.661 0.000 3.896) 4.718 17.672 ( 1.276 0.000 3.347) 3.582 17.724 ( 1.317 0.000 -2.810) 3.103 17.873 ( -4.648 0.000 -1.277) 4.820 17.878 ( -3.226 0.000 -1.107) 3.410 17.970 ( 5.468 0.000 -3.070) 6.271 18.047 ( 9.159 0.000 -6.594) 11.286 18.176 ( 6.843 0.000 -0.628) 6.872 18.178 ( 9.662 0.000 -1.276) 9.746 18.379 ( -0.815 0.000 8.820) 8.858 18.502 ( -0.881 0.000 -0.465) 0.997 18.737 ( 2.918 0.000 -0.409) 2.947 18.750 ( 5.434 0.000 -1.392) 5.610 18.805 ( -3.167 0.000 4.576) 5.565 18.925 ( -1.096 0.000 -4.411) 4.545 18.975 ( 1.018 0.000 4.415) 4.531 19.073 ( 0.872 0.000 -4.182) 4.272 24.331 ( -0.182 0.000 0.863) 0.882 24.349 ( -0.785 0.000 -0.608) 0.993 24.360 ( -0.146 0.000 0.472) 0.494 24.374 ( -1.092 0.000 -0.824) 1.368 24.390 ( -1.607 0.000 0.404) 1.657 24.400 ( -1.482 0.000 -0.374) 1.528 24.473 ( -2.928 0.000 0.759) 3.025 24.488 ( -2.953 0.000 -0.524) 2.999 24.799 ( 3.248 0.000 0.616) 3.306 24.812 ( 2.964 0.000 -0.262) 2.975 24.836 ( 3.060 0.000 -0.331) 3.078 24.841 ( 2.447 0.000 -0.401) 2.480 24.892 ( 0.027 0.000 0.588) 0.589 24.905 ( -0.832 0.000 -0.544) 0.994 24.925 ( 0.356 0.000 0.567) 0.669 24.933 ( -0.625 0.000 -0.098) 0.632 25.822 ( 11.717 0.000 3.299) 12.173 25.927 ( 10.278 0.000 -6.144) 11.974 26.158 ( 6.222 0.000 0.529) 6.244 26.178 ( 5.097 0.000 -1.384) 5.281 26.253 ( 2.884 0.000 2.777) 4.003 26.277 ( 0.687 0.000 0.152) 0.704 26.372 ( 4.226 0.000 3.708) 5.622 26.432 ( -2.132 0.000 -0.650) 2.229 26.522 ( 2.291 0.000 -0.207) 2.301 26.544 ( -6.635 0.000 -2.401) 7.056 26.562 ( -0.021 0.000 1.122) 1.123 26.606 ( -0.144 0.000 -1.882) 1.888 26.712 ( -4.915 0.000 1.238) 5.068 26.744 ( -3.591 0.000 -1.275) 3.811 26.816 ( -6.230 0.000 3.368) 7.082 26.882 ( -7.039 0.000 -2.383) 7.432 ======================= Grid point 49 (20/30) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 16.606 0.000 5.787) 17.586 1.644 ( 11.242 0.000 -0.125) 11.243 1.778 ( 0.590 0.000 6.672) 6.698 1.799 ( 5.847 0.000 3.653) 6.894 1.958 ( -9.485 0.000 10.919) 14.463 2.030 ( 16.466 0.000 1.195) 16.509 2.080 ( -12.585 0.000 11.137) 16.805 2.154 ( 2.068 0.000 -0.227) 2.081 2.216 ( 4.009 0.000 -8.106) 9.044 2.303 ( -1.542 0.000 11.606) 11.708 2.323 ( -10.506 0.000 1.548) 10.620 2.332 ( -1.521 0.000 2.764) 3.155 2.438 ( -11.743 0.000 -1.886) 11.893 2.509 ( -17.559 0.000 -5.152) 18.299 2.629 ( 8.307 0.000 -12.748) 15.216 2.686 ( 1.257 0.000 -0.492) 1.350 2.792 ( 0.503 0.000 5.320) 5.344 2.839 ( -3.469 0.000 9.610) 10.217 2.884 ( -1.263 0.000 1.948) 2.322 2.905 ( -3.436 0.000 3.816) 5.135 2.992 ( -1.460 0.000 -7.621) 7.760 3.014 ( 5.710 0.000 -8.184) 9.979 3.029 ( -4.058 0.000 -5.051) 6.479 3.079 ( 1.495 0.000 -2.920) 3.281 3.111 ( 0.063 0.000 -1.013) 1.015 3.149 ( -1.471 0.000 -6.005) 6.183 3.165 ( -3.659 0.000 3.417) 5.007 3.218 ( -5.919 0.000 -6.474) 8.772 3.315 ( 4.025 0.000 -4.144) 5.777 3.372 ( 8.621 0.000 -5.404) 10.175 3.431 ( -4.505 0.000 1.345) 4.701 3.495 ( -1.878 0.000 -1.909) 2.678 3.572 ( 8.677 0.000 4.680) 9.858 3.632 ( 4.856 0.000 3.596) 6.043 3.648 ( 4.611 0.000 3.817) 5.986 3.693 ( 0.493 0.000 1.721) 1.790 3.711 ( -0.887 0.000 1.007) 1.342 3.758 ( -2.283 0.000 -8.804) 9.095 3.868 ( -10.227 0.000 -0.205) 10.229 3.868 ( -9.519 0.000 0.171) 9.521 4.007 ( 4.740 0.000 4.910) 6.825 4.063 ( 6.628 0.000 -2.894) 7.232 4.101 ( -2.778 0.000 -0.334) 2.798 4.183 ( -3.115 0.000 -4.936) 5.837 4.204 ( 1.722 0.000 1.499) 2.283 4.250 ( 3.250 0.000 -3.510) 4.784 4.283 ( -5.113 0.000 1.769) 5.410 4.324 ( -3.690 0.000 -2.344) 4.371 4.373 ( 3.738 0.000 2.936) 4.753 4.395 ( 3.808 0.000 -0.858) 3.903 4.431 ( -0.463 0.000 -1.985) 2.038 4.451 ( -3.325 0.000 0.745) 3.408 4.474 ( 2.729 0.000 -5.266) 5.931 4.505 ( 4.376 0.000 -2.823) 5.208 4.555 ( -3.091 0.000 -0.264) 3.102 4.589 ( -1.421 0.000 -3.887) 4.139 4.800 ( -0.831 0.000 -1.583) 1.788 4.804 ( -1.155 0.000 0.538) 1.274 4.843 ( 2.966 0.000 -3.218) 4.376 4.877 ( -0.580 0.000 -2.800) 2.860 5.149 ( 4.516 0.000 1.187) 4.669 5.193 ( 2.462 0.000 -0.344) 2.486 5.237 ( -2.853 0.000 -1.945) 3.453 5.254 ( -3.342 0.000 -9.015) 9.615 5.321 ( 6.577 0.000 9.027) 11.169 5.389 ( 3.167 0.000 12.198) 12.603 5.481 ( 7.527 0.000 -4.831) 8.944 5.585 ( 0.013 0.000 -3.441) 3.441 5.686 ( 5.464 0.000 15.840) 16.756 5.762 ( 21.361 0.000 17.229) 27.443 5.855 ( -5.471 0.000 18.171) 18.977 6.061 ( 4.785 0.000 -3.151) 5.729 6.126 ( 15.251 0.000 13.548) 20.400 6.264 ( 2.948 0.000 -3.609) 4.660 6.352 ( 8.406 0.000 -8.621) 12.041 6.465 ( -2.908 0.000 -8.767) 9.237 6.489 ( -4.547 0.000 7.892) 9.108 6.546 ( 6.416 0.000 -17.403) 18.548 6.728 ( -10.525 0.000 -7.743) 13.067 6.794 ( 12.009 0.000 1.878) 12.155 6.998 ( -14.754 0.000 -11.515) 18.716 7.061 ( 29.919 0.000 -10.664) 31.763 7.295 ( -21.563 0.000 19.913) 29.351 7.397 ( 22.685 0.000 6.937) 23.722 7.458 ( 28.589 0.000 -0.295) 28.591 7.720 ( -25.590 0.000 -16.129) 30.248 7.773 ( -8.559 0.000 10.612) 13.633 7.858 ( 8.398 0.000 6.492) 10.615 7.919 ( -9.820 0.000 -4.360) 10.744 8.061 ( -4.957 0.000 5.808) 7.636 8.069 ( 7.396 0.000 -9.483) 12.026 8.163 ( -2.347 0.000 -3.009) 3.816 8.565 ( 10.932 0.000 4.373) 11.774 8.679 ( 7.011 0.000 6.928) 9.856 8.696 ( 12.067 0.000 -4.761) 12.973 8.737 ( 25.924 0.000 -1.092) 25.947 8.862 ( 20.384 0.000 -6.257) 21.323 8.876 ( 12.107 0.000 -7.204) 14.088 9.135 ( -6.052 0.000 4.478) 7.528 9.202 ( -3.634 0.000 7.708) 8.522 9.241 ( -12.298 0.000 -1.835) 12.434 9.397 ( -19.776 0.000 0.833) 19.793 9.430 ( -2.617 0.000 -5.708) 6.280 9.482 ( -10.389 0.000 -3.205) 10.872 9.567 ( -7.213 0.000 3.457) 7.999 9.585 ( -7.814 0.000 3.642) 8.621 9.638 ( -6.337 0.000 -1.830) 6.596 9.645 ( -16.271 0.000 -1.096) 16.308 9.813 ( -0.176 0.000 10.968) 10.969 10.032 ( 7.040 0.000 -5.622) 9.009 10.047 ( -18.529 0.000 8.301) 20.303 10.199 ( -4.981 0.000 -5.493) 7.415 10.218 ( 6.615 0.000 4.055) 7.759 10.366 ( 0.259 0.000 -8.911) 8.914 10.375 ( -8.851 0.000 3.837) 9.647 10.431 ( -1.934 0.000 -2.591) 3.234 10.776 ( 0.629 0.000 1.881) 1.983 10.817 ( -3.512 0.000 7.065) 7.890 10.848 ( 6.253 0.000 -4.961) 7.982 10.983 ( -6.454 0.000 -7.215) 9.680 11.247 ( 10.784 0.000 3.918) 11.473 11.339 ( 11.541 0.000 -3.504) 12.062 11.423 ( -6.881 0.000 4.472) 8.207 11.499 ( -2.406 0.000 -2.379) 3.384 11.616 ( -3.204 0.000 -1.189) 3.417 11.622 ( -0.220 0.000 -2.129) 2.140 11.671 ( -8.195 0.000 0.863) 8.240 11.715 ( -8.552 0.000 -3.531) 9.252 12.417 ( -1.273 0.000 19.864) 19.905 12.477 ( -8.143 0.000 20.916) 22.445 12.878 ( 0.016 0.000 -19.675) 19.675 12.947 ( -7.891 0.000 -19.811) 21.325 14.139 ( 26.769 0.000 9.412) 28.375 14.325 ( 22.735 0.000 -2.553) 22.878 14.500 ( 24.393 0.000 1.251) 24.425 14.643 ( -4.671 0.000 -1.955) 5.063 14.725 ( -1.142 0.000 -4.248) 4.399 14.751 ( -19.118 0.000 -0.947) 19.142 15.011 ( -25.416 0.000 1.833) 25.482 15.083 ( -18.775 0.000 -3.644) 19.125 16.205 ( 23.708 0.000 19.961) 30.992 16.680 ( 19.095 0.000 -21.696) 28.902 16.685 ( -22.598 0.000 16.789) 28.152 17.042 ( -15.064 0.000 -12.892) 19.827 17.713 ( 2.876 0.000 1.720) 3.351 17.760 ( 2.177 0.000 -2.291) 3.161 17.785 ( -3.981 0.000 0.849) 4.071 17.813 ( -2.982 0.000 -1.508) 3.342 18.135 ( 9.224 0.000 4.451) 10.242 18.177 ( 5.151 0.000 0.733) 5.203 18.268 ( -1.162 0.000 3.990) 4.156 18.271 ( -3.408 0.000 3.914) 5.190 18.501 ( 4.387 0.000 -1.275) 4.568 18.508 ( 14.511 0.000 -3.466) 14.919 18.668 ( -9.159 0.000 2.719) 9.555 18.788 ( -11.237 0.000 -6.014) 12.745 18.822 ( 5.230 0.000 2.627) 5.852 18.890 ( 7.394 0.000 -3.063) 8.003 18.930 ( -4.633 0.000 4.738) 6.627 19.026 ( -5.083 0.000 -3.564) 6.208 24.335 ( 0.586 0.000 0.306) 0.661 24.341 ( 0.098 0.000 -0.204) 0.227 24.352 ( -0.934 0.000 -0.064) 0.936 24.353 ( -1.015 0.000 -0.083) 1.019 24.381 ( 1.254 0.000 0.408) 1.318 24.390 ( 0.563 0.000 -0.387) 0.683 24.419 ( -2.180 0.000 0.290) 2.199 24.425 ( -2.872 0.000 -0.237) 2.882 24.853 ( 2.013 0.000 0.334) 2.041 24.857 ( 1.537 0.000 0.010) 1.537 24.875 ( 0.140 0.000 -0.187) 0.233 24.877 ( 0.468 0.000 -0.287) 0.549 24.891 ( 0.034 0.000 0.204) 0.207 24.894 ( 0.950 0.000 -0.168) 0.965 24.912 ( -1.230 0.000 0.285) 1.262 24.918 ( -0.903 0.000 -0.150) 0.916 26.053 ( 10.609 0.000 2.489) 10.898 26.130 ( 9.311 0.000 -4.402) 10.299 26.235 ( -5.694 0.000 1.358) 5.853 26.267 ( -0.001 0.000 -1.132) 1.132 26.269 ( 2.011 0.000 -0.040) 2.011 26.272 ( 3.185 0.000 -0.215) 3.193 26.335 ( -3.716 0.000 0.968) 3.840 26.368 ( -6.570 0.000 -2.271) 6.952 26.490 ( 5.215 0.000 5.460) 7.550 26.590 ( 3.919 0.000 -3.229) 5.078 26.605 ( -5.563 0.000 4.011) 6.858 26.633 ( 4.819 0.000 0.233) 4.825 26.650 ( 2.776 0.000 -0.936) 2.929 26.670 ( -3.532 0.000 -1.704) 3.922 26.716 ( -3.791 0.000 1.115) 3.951 26.748 ( -6.057 0.000 -1.651) 6.278 ======================= Grid point 54 (21/30) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( 0.000 -8.150 33.784) 34.753 1.018 ( 0.000 15.411 28.192) 32.129 1.192 ( 0.000 -8.624 14.342) 16.735 1.338 ( 0.000 13.094 12.062) 17.803 1.474 ( 0.000 -0.665 -9.258) 9.282 1.578 ( 0.000 -15.318 -18.303) 23.867 1.777 ( 0.000 3.399 -25.974) 26.196 1.911 ( 0.000 -9.134 8.396) 12.407 1.969 ( 0.000 31.937 30.745) 44.331 2.084 ( 0.000 13.782 9.178) 16.559 2.127 ( 0.000 11.083 -20.498) 23.302 2.182 ( 0.000 -0.782 -19.553) 19.569 2.268 ( 0.000 2.752 -2.209) 3.529 2.337 ( 0.000 4.608 8.859) 9.986 2.455 ( 0.000 12.989 5.757) 14.207 2.552 ( 0.000 -3.334 -8.761) 9.374 2.632 ( 0.000 8.039 -3.856) 8.916 2.736 ( 0.000 0.059 3.524) 3.525 2.792 ( 0.000 2.268 -0.790) 2.401 2.808 ( 0.000 1.168 2.434) 2.700 2.844 ( 0.000 2.496 4.466) 5.116 2.863 ( 0.000 -1.747 -4.606) 4.926 2.910 ( 0.000 17.729 -23.134) 29.146 2.974 ( 0.000 -4.077 10.406) 11.176 3.079 ( 0.000 -6.554 -1.161) 6.656 3.103 ( 0.000 4.254 11.754) 12.500 3.119 ( 0.000 1.149 0.999) 1.522 3.145 ( 0.000 12.980 -13.820) 18.959 3.250 ( 0.000 -0.038 -7.725) 7.725 3.290 ( 0.000 11.686 -2.820) 12.022 3.431 ( 0.000 6.630 -8.787) 11.007 3.451 ( 0.000 3.694 3.310) 4.960 3.496 ( 0.000 2.405 0.172) 2.411 3.552 ( 0.000 -2.082 10.470) 10.675 3.579 ( 0.000 2.933 -14.817) 15.105 3.666 ( 0.000 3.401 1.053) 3.560 3.793 ( 0.000 3.309 -3.285) 4.663 3.793 ( 0.000 -0.451 14.620) 14.627 3.813 ( 0.000 -2.191 6.167) 6.544 3.897 ( 0.000 0.070 -8.960) 8.960 3.898 ( 0.000 4.549 -1.770) 4.881 3.961 ( 0.000 -0.695 2.355) 2.455 4.016 ( 0.000 -3.651 1.080) 3.807 4.077 ( 0.000 5.648 -4.891) 7.471 4.096 ( 0.000 -1.733 -4.981) 5.274 4.177 ( 0.000 -4.555 -3.918) 6.008 4.210 ( 0.000 -2.108 9.242) 9.480 4.273 ( 0.000 -0.105 3.657) 3.659 4.292 ( 0.000 3.633 -8.077) 8.857 4.318 ( 0.000 3.413 2.724) 4.367 4.375 ( 0.000 4.546 1.484) 4.782 4.439 ( 0.000 0.064 -9.797) 9.797 4.447 ( 0.000 -0.473 -2.697) 2.738 4.470 ( 0.000 2.191 -6.457) 6.819 4.506 ( 0.000 2.033 0.587) 2.116 4.529 ( 0.000 3.069 6.353) 7.056 4.559 ( 0.000 2.661 -1.398) 3.006 4.661 ( 0.000 3.952 15.739) 16.227 4.688 ( 0.000 -0.762 -2.793) 2.895 4.734 ( 0.000 -1.589 8.354) 8.503 4.737 ( 0.000 -1.440 19.003) 19.057 4.857 ( 0.000 4.677 -2.626) 5.363 4.895 ( 0.000 0.378 4.879) 4.894 4.945 ( 0.000 5.671 -2.341) 6.135 4.998 ( 0.000 -5.963 3.553) 6.941 5.018 ( 0.000 -2.257 -2.973) 3.732 5.056 ( 0.000 0.168 -4.434) 4.437 5.236 ( 0.000 1.033 17.061) 17.093 5.349 ( 0.000 -1.475 -22.456) 22.504 5.376 ( 0.000 -6.547 14.426) 15.842 5.546 ( 0.000 -10.810 -0.981) 10.855 5.549 ( 0.000 2.295 -10.576) 10.822 5.632 ( 0.000 7.430 11.150) 13.399 5.795 ( 0.000 -3.466 -23.053) 23.312 5.835 ( 0.000 -4.724 -8.574) 9.789 5.951 ( 0.000 0.812 -6.611) 6.661 6.383 ( 0.000 -2.180 11.790) 11.990 6.481 ( 0.000 -21.444 11.208) 24.196 6.603 ( 0.000 -23.019 2.291) 23.133 6.636 ( 0.000 -30.146 -0.068) 30.146 6.692 ( 0.000 -30.334 0.136) 30.334 6.813 ( 0.000 8.400 26.092) 27.410 6.899 ( 0.000 -22.213 6.039) 23.019 7.008 ( 0.000 6.982 -34.080) 34.788 7.141 ( 0.000 -0.682 -12.992) 13.010 7.276 ( 0.000 6.471 19.141) 20.206 7.438 ( 0.000 6.368 -24.209) 25.032 7.602 ( 0.000 -7.741 0.552) 7.761 7.846 ( 0.000 -2.052 21.529) 21.627 7.915 ( 0.000 3.079 3.180) 4.426 8.074 ( 0.000 3.522 -2.128) 4.114 8.250 ( 0.000 13.161 -6.697) 14.767 8.301 ( 0.000 -2.412 -15.497) 15.684 8.327 ( 0.000 2.082 -7.810) 8.083 8.534 ( 0.000 -1.585 27.224) 27.270 8.757 ( 0.000 4.513 10.457) 11.389 8.911 ( 0.000 18.911 -1.921) 19.009 8.920 ( 0.000 12.297 -2.741) 12.599 9.060 ( 0.000 2.598 4.203) 4.941 9.237 ( 0.000 -12.938 -15.093) 19.879 9.275 ( 0.000 -7.078 10.357) 12.545 9.407 ( 0.000 -2.003 -3.796) 4.292 9.473 ( 0.000 -6.837 -12.880) 14.582 9.482 ( 0.000 -9.278 -7.589) 11.987 9.875 ( 0.000 0.648 1.665) 1.786 9.907 ( 0.000 1.142 -0.930) 1.473 9.913 ( 0.000 5.964 11.155) 12.649 9.930 ( 0.000 -1.037 8.291) 8.356 10.177 ( 0.000 -2.824 -2.497) 3.769 10.317 ( 0.000 2.180 -7.303) 7.621 10.482 ( 0.000 9.777 3.521) 10.392 10.519 ( 0.000 -5.595 12.384) 13.589 10.624 ( 0.000 -2.357 1.091) 2.598 10.643 ( 0.000 18.445 -12.976) 22.552 10.766 ( 0.000 5.924 1.341) 6.073 10.845 ( 0.000 9.954 -4.556) 10.947 11.310 ( 0.000 -6.148 3.536) 7.093 11.316 ( 0.000 1.820 9.662) 9.832 11.386 ( 0.000 -0.141 0.688) 0.703 11.454 ( 0.000 -6.847 -7.541) 10.186 11.551 ( 0.000 5.233 8.923) 10.344 11.618 ( 0.000 -1.791 3.112) 3.590 11.697 ( 0.000 7.032 -0.565) 7.055 11.784 ( 0.000 2.980 1.176) 3.204 11.796 ( 0.000 0.540 -5.016) 5.045 11.838 ( 0.000 2.728 -0.885) 2.868 11.862 ( 0.000 6.795 -1.785) 7.026 11.968 ( 0.000 11.747 -12.740) 17.329 12.317 ( 0.000 4.191 12.046) 12.755 12.469 ( 0.000 6.333 3.243) 7.115 12.915 ( 0.000 4.594 -5.657) 7.287 13.069 ( 0.000 9.677 -14.196) 17.180 13.135 ( 0.000 -19.270 3.805) 19.642 13.255 ( 0.000 -21.861 -6.947) 22.938 13.776 ( 0.000 -16.107 15.894) 22.629 14.164 ( 0.000 -14.818 -20.054) 24.935 15.358 ( 0.000 0.012 28.669) 28.669 15.923 ( 0.000 -17.087 20.808) 26.925 15.998 ( 0.000 0.882 -30.048) 30.061 16.412 ( 0.000 -8.339 -21.149) 22.734 16.976 ( 0.000 11.437 9.892) 15.121 17.185 ( 0.000 1.167 15.811) 15.854 17.198 ( 0.000 5.963 -5.429) 8.064 17.476 ( 0.000 -1.096 -9.487) 9.550 17.593 ( 0.000 1.592 4.597) 4.865 17.619 ( 0.000 -1.157 2.926) 3.147 17.705 ( 0.000 2.935 -4.746) 5.580 17.713 ( 0.000 2.340 -6.186) 6.614 17.833 ( 0.000 -5.529 8.340) 10.006 17.880 ( 0.000 -5.915 4.897) 7.679 17.981 ( 0.000 -2.791 -4.906) 5.645 17.990 ( 0.000 -3.019 -3.764) 4.825 18.256 ( 0.000 6.962 3.632) 7.852 18.309 ( 0.000 9.344 -1.426) 9.452 18.328 ( 0.000 -0.866 7.304) 7.355 18.425 ( 0.000 5.745 6.624) 8.769 18.494 ( 0.000 -2.451 -7.838) 8.213 18.524 ( 0.000 8.155 -2.732) 8.601 18.726 ( 0.000 2.002 3.235) 3.805 18.790 ( 0.000 2.374 -2.637) 3.548 24.399 ( 0.000 0.114 2.244) 2.247 24.405 ( 0.000 -1.174 2.658) 2.905 24.434 ( 0.000 0.167 -0.485) 0.512 24.442 ( 0.000 0.064 -1.103) 1.105 24.479 ( 0.000 0.033 0.828) 0.828 24.482 ( 0.000 -0.406 1.059) 1.135 24.511 ( 0.000 0.445 -1.420) 1.488 24.527 ( 0.000 0.186 -4.091) 4.095 24.624 ( 0.000 4.650 3.679) 5.930 24.728 ( 0.000 3.358 -4.450) 5.574 24.731 ( 0.000 -0.228 1.383) 1.402 24.744 ( 0.000 -0.081 -0.287) 0.298 24.768 ( 0.000 0.634 0.374) 0.736 24.796 ( 0.000 6.207 -4.438) 7.630 24.818 ( 0.000 -0.132 5.558) 5.559 24.938 ( 0.000 0.203 -4.588) 4.593 25.374 ( 0.000 4.527 5.136) 6.846 25.535 ( 0.000 2.674 -8.926) 9.318 25.800 ( 0.000 -7.730 3.523) 8.495 25.910 ( 0.000 -5.508 -6.546) 8.555 26.095 ( 0.000 0.682 13.972) 13.989 26.227 ( 0.000 -0.420 5.221) 5.237 26.312 ( 0.000 2.143 -3.011) 3.696 26.357 ( 0.000 0.086 -10.777) 10.777 26.448 ( 0.000 2.858 4.873) 5.649 26.555 ( 0.000 3.058 -4.184) 5.183 26.785 ( 0.000 -4.426 6.986) 8.270 26.919 ( 0.000 -7.122 -5.129) 8.777 26.922 ( 0.000 0.483 2.824) 2.865 26.984 ( 0.000 3.373 -2.468) 4.180 27.162 ( 0.000 -7.639 6.036) 9.736 27.265 ( 0.000 -5.630 -3.748) 6.763 ======================= Grid point 55 (22/30) ======================= q-point: ( 0.11 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 25.937 15.606 0.322) 30.272 1.235 ( 1.190 9.504 19.872) 22.059 1.386 ( 13.626 3.733 6.234) 15.442 1.433 ( 10.745 2.141 -7.599) 13.334 1.653 ( 19.389 13.995 14.491) 27.960 1.770 ( 11.272 -11.493 -6.002) 17.181 1.911 ( 4.337 2.004 -8.676) 9.904 1.997 ( 11.843 -1.456 -9.601) 15.315 2.118 ( 6.962 2.079 5.217) 8.945 2.162 ( 11.481 15.446 -16.677) 25.466 2.286 ( 13.304 -3.136 -7.302) 15.497 2.341 ( 16.061 12.220 8.305) 21.824 2.445 ( 15.413 6.218 -0.587) 16.630 2.462 ( 10.915 10.555 8.129) 17.223 2.558 ( 10.173 12.232 5.750) 16.917 2.642 ( 5.549 -2.851 -2.935) 6.894 2.689 ( 1.645 4.791 -3.553) 6.187 2.740 ( -1.534 -2.634 3.187) 4.410 2.804 ( 6.331 6.174 2.134) 9.097 2.824 ( 0.868 -4.737 -0.706) 4.867 2.841 ( 3.966 0.112 -2.181) 4.527 2.908 ( 4.128 8.266 5.697) 10.855 3.013 ( 1.532 -3.369 7.963) 8.780 3.035 ( 9.228 5.296 -4.433) 11.526 3.100 ( 0.636 -1.302 10.876) 10.972 3.125 ( 6.249 -1.958 -4.150) 7.753 3.144 ( 2.831 1.942 4.886) 5.971 3.211 ( 5.723 2.864 -14.974) 16.284 3.290 ( 3.450 3.788 -4.280) 6.676 3.317 ( 3.567 11.863 3.266) 12.811 3.414 ( 2.102 4.142 -6.172) 7.724 3.479 ( -0.188 2.085 4.036) 4.546 3.585 ( 3.315 5.489 -2.006) 6.719 3.592 ( 6.802 4.042 -15.315) 17.238 3.638 ( 8.144 -1.052 8.057) 11.504 3.683 ( -5.056 2.378 -0.032) 5.588 3.689 ( 1.856 3.127 -1.912) 4.108 3.753 ( -3.678 -0.436 3.487) 5.088 3.787 ( -4.085 1.913 2.766) 5.291 3.834 ( 0.649 -2.212 0.265) 2.320 3.925 ( -4.583 0.252 4.147) 6.186 3.938 ( -2.226 1.954 -7.871) 8.410 3.995 ( -2.605 0.739 -3.847) 4.704 4.066 ( -9.255 -1.558 -3.275) 9.940 4.127 ( 2.181 -0.634 -6.044) 6.457 4.153 ( 3.394 -0.473 -1.172) 3.622 4.186 ( -0.893 3.846 0.977) 4.067 4.239 ( -0.427 2.937 3.299) 4.437 4.276 ( -3.064 -0.045 0.887) 3.190 4.296 ( -0.657 3.770 -3.223) 5.003 4.354 ( 2.104 0.774 0.918) 2.423 4.430 ( -0.715 2.134 1.798) 2.881 4.450 ( -0.055 0.406 -3.317) 3.343 4.478 ( -2.605 4.265 -0.445) 5.018 4.500 ( -1.283 3.284 -3.912) 5.267 4.550 ( -0.644 2.939 2.919) 4.192 4.599 ( 2.159 0.869 3.369) 4.095 4.656 ( -0.800 -2.310 -5.221) 5.765 4.698 ( 5.855 -0.211 9.360) 11.043 4.754 ( 4.158 1.033 10.276) 11.134 4.832 ( 2.235 2.377 8.855) 9.437 4.862 ( 4.494 0.260 4.856) 6.622 4.895 ( 0.261 0.325 -0.161) 0.447 4.923 ( 0.931 -5.070 -5.146) 7.283 5.011 ( 3.741 -1.909 1.940) 4.626 5.088 ( 3.573 -2.524 -5.256) 6.838 5.137 ( 5.161 0.559 -0.591) 5.224 5.297 ( 3.529 -2.253 -5.445) 6.868 5.346 ( -0.765 -2.164 -8.173) 8.489 5.389 ( 2.487 -4.597 13.631) 14.598 5.510 ( -0.836 -0.718 -1.928) 2.221 5.573 ( 0.143 2.926 2.273) 3.708 5.698 ( 7.999 -6.049 -0.655) 10.051 5.759 ( 1.760 2.939 -12.119) 12.594 5.791 ( -5.395 -1.837 0.769) 5.751 5.987 ( 6.438 -2.435 -15.612) 17.062 6.174 ( -13.507 -4.160 10.817) 17.797 6.462 ( -4.601 -12.656 4.808) 14.299 6.642 ( 3.552 -25.121 3.218) 25.574 6.684 ( 2.912 -28.493 0.946) 28.657 6.776 ( -6.020 -2.493 1.464) 6.678 6.828 ( 11.238 -20.920 8.766) 25.314 6.875 ( 1.458 1.193 10.759) 10.923 7.056 ( 2.915 -10.835 -12.305) 16.653 7.175 ( 2.264 -2.311 -13.906) 14.278 7.312 ( 2.508 -4.934 13.021) 14.148 7.480 ( 2.017 3.040 -18.816) 19.167 7.532 ( -3.413 -6.448 2.635) 7.757 7.813 ( -1.354 1.157 16.847) 16.941 7.951 ( 1.150 4.901 -3.200) 5.965 8.035 ( -4.760 1.234 -1.190) 5.059 8.192 ( -2.573 5.083 -10.414) 11.871 8.281 ( 3.403 3.382 -0.052) 4.798 8.384 ( 3.211 11.112 -2.276) 11.788 8.530 ( -2.684 -2.417 15.910) 16.315 8.854 ( -2.944 8.903 -8.169) 12.436 8.920 ( 8.115 10.893 6.512) 15.064 8.953 ( 5.958 7.439 2.858) 9.950 9.097 ( 2.556 2.632 4.431) 5.752 9.211 ( -2.019 -4.730 8.281) 9.748 9.235 ( -0.464 -8.932 -12.933) 15.724 9.418 ( -0.656 -4.787 -8.106) 9.437 9.472 ( -0.829 -3.626 2.061) 4.253 9.586 ( 3.503 -5.947 -8.120) 10.657 9.767 ( -7.425 4.081 7.794) 11.512 9.886 ( -3.322 1.473 0.985) 3.765 9.942 ( 5.103 -1.279 2.527) 5.837 10.001 ( 5.693 -1.968 -1.706) 6.260 10.172 ( 0.019 -1.854 -2.029) 2.749 10.249 ( -5.196 1.576 -5.125) 7.467 10.386 ( -5.539 5.068 6.139) 9.698 10.478 ( -4.336 5.841 0.942) 7.335 10.615 ( -1.071 -0.135 2.092) 2.354 10.646 ( -0.208 6.675 -6.630) 9.410 10.746 ( -2.131 7.073 2.535) 7.810 10.825 ( -2.100 10.046 -3.149) 10.735 11.110 ( -11.791 0.486 3.096) 12.200 11.208 ( -13.209 0.334 -3.862) 13.766 11.343 ( -4.813 1.956 8.737) 10.165 11.422 ( -3.245 -2.497 -1.009) 4.217 11.542 ( -2.504 2.253 5.954) 6.841 11.590 ( -5.171 -4.555 0.567) 6.915 11.622 ( -4.616 2.195 0.946) 5.198 11.709 ( -4.635 0.150 -1.830) 4.985 11.730 ( -7.332 4.636 -3.753) 9.452 11.760 ( -5.555 3.183 -5.185) 8.239 11.890 ( 4.128 2.037 7.818) 9.073 12.093 ( 2.137 1.393 -7.868) 8.271 12.496 ( 15.437 5.602 11.664) 20.143 12.613 ( 16.122 8.217 4.940) 18.757 13.046 ( 11.366 4.015 -0.378) 12.060 13.141 ( -7.487 -11.508 -2.252) 13.912 13.253 ( 14.450 -0.120 -13.719) 19.925 13.285 ( 11.753 0.063 -15.369) 19.347 13.642 ( -12.419 -11.878 16.848) 24.066 14.074 ( -9.801 -10.258 -23.072) 27.085 15.259 ( -6.055 -3.374 30.351) 31.133 15.735 ( -15.943 -16.663 18.986) 29.871 15.906 ( -6.917 -1.861 -27.758) 28.668 16.194 ( -18.151 -7.742 -19.529) 27.763 16.682 ( -23.837 11.477 8.874) 27.904 16.822 ( -27.652 4.775 -1.999) 28.132 17.058 ( -8.690 -6.395 13.337) 17.155 17.287 ( -9.446 -10.197 -6.839) 15.491 17.636 ( 3.362 0.110 1.537) 3.698 17.706 ( 2.085 -0.696 -2.555) 3.371 17.758 ( 5.685 5.047 6.481) 9.990 17.806 ( 4.026 -2.341 0.141) 4.660 17.846 ( 1.081 -2.888 -0.674) 3.157 17.940 ( 8.841 3.051 -3.732) 10.070 18.019 ( 3.499 -1.247 1.424) 3.978 18.158 ( 5.382 2.900 -6.979) 9.278 18.271 ( 1.749 4.632 6.995) 8.570 18.370 ( 6.762 5.420 -1.627) 8.818 18.486 ( 10.307 -2.366 5.556) 11.946 18.559 ( 9.106 1.899 3.128) 9.813 18.625 ( 9.616 -0.162 -0.613) 9.637 18.694 ( 12.768 7.076 -3.117) 14.927 18.794 ( 1.598 3.235 0.301) 3.620 18.807 ( 8.460 3.412 -0.709) 9.150 24.374 ( -1.509 0.286 2.171) 2.660 24.392 ( -1.020 -0.145 1.902) 2.163 24.410 ( -1.525 0.571 -0.887) 1.854 24.430 ( -1.159 0.127 -1.637) 2.010 24.478 ( 0.114 1.555 1.006) 1.855 24.502 ( -1.581 1.542 -0.452) 2.255 24.522 ( 1.210 -0.556 0.149) 1.340 24.543 ( 0.623 -0.055 -2.578) 2.653 24.654 ( 3.418 1.901 1.473) 4.179 24.688 ( 0.590 2.800 -1.127) 3.076 24.722 ( 0.274 0.212 2.061) 2.090 24.753 ( 0.587 -0.337 -0.987) 1.197 24.824 ( 4.099 0.606 1.578) 4.434 24.848 ( 2.175 0.094 3.664) 4.262 24.885 ( 4.207 2.038 -4.286) 6.343 24.936 ( -0.204 0.392 -3.611) 3.638 25.447 ( 6.596 3.904 4.586) 8.932 25.599 ( 5.832 2.973 -9.016) 11.142 25.847 ( 4.378 -7.146 3.123) 8.943 25.945 ( 3.315 -5.034 -5.872) 8.415 26.121 ( 2.438 0.794 11.995) 12.266 26.235 ( 0.862 -0.099 4.620) 4.701 26.308 ( -0.168 2.181 -3.011) 3.722 26.365 ( 0.857 0.126 -8.734) 8.776 26.453 ( 0.574 1.950 4.182) 4.650 26.553 ( -0.146 2.412 -3.966) 4.644 26.744 ( -3.954 -4.047 6.044) 8.279 26.850 ( -5.446 -4.416 -2.207) 7.351 26.893 ( -3.384 -1.345 0.246) 3.650 26.941 ( -3.822 3.170 -2.263) 5.457 27.081 ( -6.802 -6.040 4.942) 10.352 27.167 ( -7.535 -3.276 -2.938) 8.726 ======================= Grid point 56 (23/30) ======================= q-point: ( 0.22 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 3.133 12.654 0.408) 13.043 1.462 ( 5.769 17.767 -20.475) 27.715 1.573 ( 8.295 3.145 1.050) 8.933 1.652 ( 9.577 12.889 -1.659) 16.143 1.831 ( 12.921 7.840 7.052) 16.678 1.973 ( 1.474 6.838 1.886) 7.245 2.032 ( 6.459 2.317 -1.086) 6.948 2.192 ( 7.380 8.529 -9.769) 14.921 2.309 ( 9.251 0.323 5.764) 10.905 2.377 ( 4.927 12.931 -5.848) 15.023 2.489 ( 0.199 3.771 0.035) 3.777 2.510 ( 0.896 1.751 9.024) 9.236 2.580 ( 3.081 1.990 -1.203) 3.860 2.622 ( 1.190 2.130 -3.163) 3.995 2.691 ( 0.580 -3.656 -1.244) 3.905 2.730 ( 5.755 -1.288 -5.092) 7.791 2.814 ( 6.737 0.523 3.539) 7.627 2.868 ( 3.099 -2.509 -0.085) 3.988 2.906 ( -0.139 0.478 4.551) 4.578 2.917 ( 3.001 1.361 0.816) 3.395 2.973 ( 10.010 5.009 1.547) 11.299 2.983 ( 8.897 6.674 2.061) 11.312 3.077 ( -2.521 -4.683 3.099) 6.156 3.152 ( 1.837 2.543 3.090) 4.403 3.177 ( 4.774 0.090 3.727) 6.058 3.223 ( 3.611 1.365 4.299) 5.778 3.233 ( 0.115 5.706 9.755) 11.302 3.306 ( 4.303 6.133 -0.891) 7.545 3.379 ( -5.382 6.837 4.522) 9.806 3.400 ( 4.786 0.592 -0.837) 4.895 3.461 ( 3.866 -0.657 -0.141) 3.924 3.511 ( 5.271 -1.285 1.165) 5.549 3.600 ( -5.718 -1.702 1.953) 6.278 3.618 ( 7.198 -1.138 -0.385) 7.297 3.661 ( 0.958 0.381 2.960) 3.135 3.686 ( 2.597 0.467 3.516) 4.396 3.734 ( 3.488 1.397 6.775) 7.747 3.810 ( -4.315 2.884 0.540) 5.218 3.832 ( 1.525 1.495 -3.059) 3.731 3.843 ( 3.996 2.260 -3.563) 5.812 3.907 ( 2.176 3.014 -5.560) 6.688 3.957 ( 7.438 0.361 -5.404) 9.201 3.968 ( -1.394 3.232 -7.879) 8.630 4.057 ( 2.415 0.617 -5.385) 5.934 4.089 ( -0.072 0.489 -2.096) 2.153 4.142 ( 7.196 -0.590 -4.400) 8.455 4.196 ( 2.384 5.262 -2.509) 6.298 4.224 ( 1.825 5.536 -3.058) 6.583 4.271 ( -0.731 1.796 5.589) 5.915 4.325 ( 3.631 1.504 5.809) 7.014 4.358 ( 0.676 0.210 -4.637) 4.691 4.431 ( -0.021 1.433 0.336) 1.472 4.440 ( 1.205 0.880 -0.246) 1.512 4.461 ( 4.942 5.880 -1.565) 7.839 4.541 ( 5.098 4.975 -5.787) 9.178 4.562 ( 0.870 -2.952 -6.124) 6.854 4.644 ( -2.403 -3.569 -5.370) 6.881 4.703 ( 4.115 -0.710 -4.176) 5.906 4.813 ( 7.892 0.373 10.653) 13.263 4.865 ( 2.187 0.465 5.633) 6.060 4.897 ( 2.264 0.614 3.459) 4.179 4.939 ( 10.379 -1.038 4.800) 11.482 4.949 ( 4.685 -1.588 -1.407) 5.143 4.990 ( 6.023 -1.806 -4.298) 7.617 5.125 ( 2.839 0.939 -8.229) 8.755 5.190 ( 1.357 -3.886 2.261) 4.697 5.212 ( 12.466 -3.206 5.600) 14.038 5.330 ( -0.183 -0.773 4.858) 4.922 5.360 ( 1.842 -0.676 4.702) 5.095 5.403 ( 5.413 -3.012 -2.869) 6.827 5.604 ( 3.542 1.564 -3.823) 5.441 5.677 ( 7.633 0.534 -3.961) 8.616 5.712 ( 2.608 2.993 3.012) 4.983 5.904 ( 3.439 -3.957 -8.404) 9.905 5.927 ( 16.498 0.061 2.048) 16.625 6.044 ( 9.939 -3.600 -0.213) 10.573 6.206 ( 13.650 -0.437 1.541) 13.743 6.358 ( -1.857 -4.769 -5.847) 7.771 6.612 ( -3.765 -18.954 6.562) 20.408 6.670 ( -7.994 2.938 5.295) 10.029 6.734 ( -0.099 -20.716 -0.443) 20.721 6.869 ( 1.743 -6.778 0.628) 7.027 7.066 ( 7.869 -25.612 1.065) 26.815 7.115 ( 1.680 -7.834 -0.856) 8.058 7.229 ( -0.873 -16.241 5.794) 17.266 7.342 ( 8.959 -11.981 -2.068) 15.102 7.472 ( -1.520 0.587 -2.946) 3.367 7.629 ( 11.376 -6.947 -13.283) 18.818 7.816 ( 5.215 4.257 11.891) 13.664 7.977 ( 0.789 -0.036 5.787) 5.841 7.994 ( -0.525 5.252 -5.204) 7.412 8.141 ( -0.182 5.373 -5.102) 7.412 8.380 ( 1.850 8.359 1.472) 8.687 8.433 ( -1.503 3.255 2.520) 4.383 8.483 ( 3.074 2.487 7.040) 8.075 8.756 ( -4.419 3.740 -11.784) 13.129 8.920 ( -12.238 5.894 9.508) 16.580 9.039 ( -4.283 7.622 5.656) 10.413 9.158 ( 3.282 4.370 -5.721) 7.912 9.209 ( -1.440 -1.995 -0.961) 2.641 9.276 ( 5.379 -3.602 6.461) 9.147 9.366 ( 3.931 -2.206 4.750) 6.548 9.455 ( -5.160 3.962 -2.441) 6.948 9.506 ( 1.510 -2.563 -9.902) 10.339 9.790 ( 1.660 -8.647 3.313) 9.408 9.897 ( 3.886 -2.643 -5.309) 7.090 9.989 ( -1.580 -4.900 2.182) 5.592 10.038 ( -1.210 -2.531 -1.948) 3.416 10.158 ( -2.685 2.374 -2.144) 4.176 10.170 ( -3.058 2.674 -3.436) 5.320 10.304 ( -3.191 10.330 2.980) 11.215 10.381 ( -4.405 9.786 -2.340) 10.984 10.554 ( -6.175 1.771 2.760) 6.992 10.632 ( -3.365 -3.056 -4.995) 6.754 10.728 ( -0.886 3.096 4.708) 5.703 10.769 ( -3.836 6.840 0.445) 7.854 10.874 ( -7.463 8.585 0.649) 11.394 10.954 ( -6.322 7.790 -4.265) 10.901 11.168 ( -10.670 4.408 8.710) 14.461 11.271 ( -15.348 0.327 -0.728) 15.368 11.351 ( -15.395 -1.278 1.804) 15.553 11.356 ( -13.101 -0.401 -0.039) 13.107 11.550 ( -2.604 3.783 0.350) 4.605 11.591 ( -3.863 -0.444 -2.727) 4.749 11.657 ( -1.931 -5.778 -0.054) 6.092 11.688 ( -3.554 -4.777 -2.476) 6.448 11.929 ( -1.333 -3.068 4.061) 5.262 12.010 ( -7.846 -4.306 -2.236) 9.225 12.759 ( 2.333 8.179 7.555) 11.376 12.992 ( 13.333 13.059 -8.227) 20.396 13.065 ( 5.129 1.987 14.790) 15.779 13.299 ( -3.957 -3.661 13.509) 14.545 13.313 ( 6.632 0.223 7.191) 9.785 13.535 ( 15.326 1.458 -16.104) 22.279 13.712 ( 22.298 -0.868 -17.690) 28.477 13.754 ( -18.515 0.102 -22.080) 28.816 15.243 ( 2.346 -9.825 24.372) 26.382 15.394 ( -12.015 -15.703 21.275) 29.045 15.686 ( -19.009 -1.489 -15.981) 24.879 15.929 ( -1.356 -10.937 -24.492) 26.857 16.150 ( -26.346 11.102 6.173) 29.248 16.244 ( -26.144 8.086 -2.702) 27.499 16.951 ( -2.447 -20.093 12.197) 23.632 17.107 ( -9.729 -19.859 -1.817) 22.188 17.744 ( 4.124 2.607 -0.365) 4.893 17.764 ( 5.563 1.731 -0.357) 5.837 17.812 ( 3.419 3.314 5.259) 7.094 17.883 ( 3.934 -1.061 -1.430) 4.318 17.926 ( 3.123 -0.875 -1.435) 3.546 18.050 ( 0.425 3.999 2.385) 4.676 18.093 ( 4.543 5.064 -8.805) 11.127 18.178 ( -0.393 9.968 -4.790) 11.066 18.335 ( 3.168 -1.157 10.747) 11.264 18.506 ( 4.961 4.073 -2.502) 6.889 18.604 ( 2.467 -5.181 3.115) 6.529 18.689 ( 3.612 -0.921 -3.158) 4.885 18.826 ( 8.229 2.729 4.584) 9.807 18.873 ( 5.257 4.755 4.322) 8.302 18.925 ( 8.444 5.120 -1.839) 10.044 19.010 ( 7.971 2.924 -5.013) 9.860 24.349 ( -0.920 0.610 1.508) 1.869 24.371 ( -0.863 -0.009 1.229) 1.501 24.380 ( -1.370 0.804 -1.048) 1.903 24.402 ( -1.394 0.194 -1.574) 2.111 24.453 ( -2.113 2.309 0.247) 3.140 24.457 ( -2.400 1.810 0.015) 3.007 24.525 ( -2.179 -0.349 0.014) 2.207 24.528 ( -0.952 -0.295 -0.150) 1.008 24.731 ( 3.654 0.616 0.687) 3.769 24.746 ( 3.893 0.686 -0.480) 3.982 24.767 ( 3.648 0.416 0.539) 3.711 24.785 ( 2.511 -0.236 -0.771) 2.638 24.885 ( 1.243 0.371 1.839) 2.251 24.896 ( 2.484 0.080 1.591) 2.951 24.928 ( -0.590 0.660 -1.831) 2.034 24.935 ( 0.913 0.502 -1.642) 1.945 25.624 ( 10.337 3.473 4.051) 11.633 25.754 ( 8.992 3.073 -7.749) 12.261 25.967 ( 7.018 -5.735 2.235) 9.335 26.038 ( 5.547 -3.851 -4.270) 7.989 26.188 ( 3.906 0.970 8.060) 9.009 26.264 ( 1.899 0.679 2.798) 3.449 26.314 ( 0.929 1.034 -0.864) 1.636 26.397 ( 2.268 -0.171 -6.093) 6.503 26.475 ( 1.644 0.440 3.110) 3.545 26.555 ( 0.497 0.807 -3.419) 3.548 26.638 ( -5.880 -2.746 4.052) 7.651 26.714 ( -7.566 -3.461 -2.710) 8.750 26.803 ( -4.908 -0.571 1.344) 5.121 26.848 ( -4.851 2.345 -2.047) 5.764 26.928 ( -7.488 -3.836 4.329) 9.462 27.010 ( -7.512 -2.271 -3.057) 8.422 ======================= Grid point 57 (24/30) ======================= q-point: ( 0.33 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 12.227 7.807 -3.175) 14.850 1.484 ( 3.247 7.065 -11.492) 13.876 1.679 ( 6.829 3.120 5.815) 9.496 1.834 ( 3.928 10.856 -5.618) 12.839 1.965 ( 2.100 9.531 6.692) 11.834 2.093 ( 0.467 10.332 -1.737) 10.487 2.155 ( 5.983 -1.552 4.294) 7.526 2.258 ( -4.528 -0.907 4.572) 6.499 2.358 ( 5.006 4.971 -4.183) 8.202 2.448 ( -3.436 11.690 3.703) 12.735 2.463 ( -1.870 9.640 -0.534) 9.834 2.503 ( -1.585 6.736 -0.065) 6.920 2.523 ( 2.278 7.742 0.303) 8.076 2.640 ( -0.475 2.704 -0.336) 2.766 2.696 ( -1.379 1.136 -2.762) 3.290 2.753 ( -1.208 2.018 -3.379) 4.116 2.822 ( -4.387 -0.368 4.079) 6.002 2.865 ( -3.457 -1.178 -2.018) 4.173 2.903 ( -2.318 -3.437 -0.993) 4.263 2.941 ( -4.146 1.333 -0.482) 4.381 2.995 ( 0.502 -3.559 5.665) 6.709 3.078 ( -5.111 5.308 4.660) 8.718 3.119 ( -2.494 3.045 -1.016) 4.065 3.128 ( 1.847 0.420 3.107) 3.639 3.131 ( -1.119 4.331 -1.355) 4.674 3.203 ( 0.586 -0.173 8.366) 8.388 3.258 ( -0.561 4.138 5.604) 6.988 3.273 ( 2.827 5.228 -6.707) 8.961 3.341 ( -5.601 7.916 2.289) 9.964 3.416 ( -1.752 -0.660 -4.846) 5.195 3.468 ( 1.363 -0.423 3.091) 3.404 3.501 ( -2.802 -2.882 1.998) 4.490 3.521 ( -0.190 3.047 -0.208) 3.060 3.592 ( -1.074 1.867 -3.411) 4.034 3.605 ( -4.028 0.070 3.662) 5.444 3.727 ( -1.832 2.055 -2.313) 3.596 3.784 ( -3.170 5.045 -5.856) 8.355 3.834 ( -0.940 -1.004 -7.117) 7.248 3.890 ( 0.433 0.094 -1.195) 1.275 3.963 ( 4.779 -3.816 2.867) 6.755 3.986 ( 2.877 -1.970 2.368) 4.215 4.008 ( 6.242 0.614 -4.591) 7.773 4.078 ( 0.400 6.288 2.510) 6.782 4.122 ( 7.809 -3.810 7.338) 11.373 4.151 ( 3.185 3.037 -3.204) 5.444 4.235 ( 2.476 -1.467 0.826) 2.994 4.280 ( 3.489 2.367 -0.560) 4.253 4.292 ( 5.110 3.976 -2.958) 7.118 4.311 ( 2.714 0.509 3.689) 4.608 4.373 ( 1.399 -1.712 -2.523) 3.355 4.418 ( 5.031 1.960 -3.396) 6.378 4.440 ( 0.311 0.265 -1.021) 1.099 4.456 ( 2.314 -1.643 1.737) 3.327 4.529 ( -2.319 -0.179 -1.429) 2.730 4.564 ( -4.275 1.631 -5.842) 7.420 4.596 ( 0.305 1.395 -1.852) 2.339 4.702 ( 9.168 -2.466 -2.701) 9.871 4.789 ( 2.509 2.299 -8.191) 8.870 4.855 ( -3.061 -1.423 1.846) 3.848 4.894 ( -0.706 1.817 4.306) 4.727 5.036 ( 9.680 -3.772 9.683) 14.202 5.080 ( 8.902 2.263 -1.378) 9.288 5.118 ( 7.107 0.067 4.174) 8.242 5.146 ( 7.308 -2.949 3.633) 8.677 5.248 ( 5.337 -2.714 4.440) 7.455 5.307 ( 9.980 3.332 -9.687) 14.302 5.341 ( 3.526 1.381 7.126) 8.070 5.417 ( 0.615 -3.418 1.119) 3.649 5.518 ( 10.127 -2.064 -2.590) 10.655 5.595 ( 17.320 -1.387 -4.842) 18.038 5.708 ( 4.828 0.615 3.982) 6.288 5.789 ( 15.782 9.382 -3.722) 18.734 5.903 ( 0.894 3.500 -5.156) 6.296 5.953 ( 7.882 -11.944 -3.745) 14.793 6.211 ( 7.535 -2.736 5.333) 9.628 6.372 ( 14.360 -4.493 -1.300) 15.102 6.413 ( -8.369 -7.637 9.526) 14.802 6.500 ( 8.509 -5.740 0.425) 10.273 6.548 ( 13.369 -5.667 -2.767) 14.781 6.688 ( 22.918 -11.038 2.254) 25.537 6.824 ( 0.341 3.738 -10.685) 11.325 6.933 ( 15.256 5.335 -4.325) 16.731 7.031 ( -5.318 -17.146 4.115) 18.418 7.190 ( -4.299 -5.860 -2.988) 7.858 7.276 ( 7.093 -10.762 9.393) 15.949 7.392 ( 11.410 -21.391 -4.642) 24.684 7.698 ( 4.942 -16.481 4.474) 17.778 7.851 ( -5.454 -1.400 -1.701) 5.883 7.923 ( 13.526 0.911 2.567) 13.798 8.037 ( 6.502 5.453 2.201) 8.766 8.053 ( 7.118 -7.726 5.231) 11.735 8.184 ( 2.090 1.103 -5.037) 5.564 8.370 ( 5.220 7.542 2.278) 9.451 8.413 ( -3.384 2.809 -2.502) 5.060 8.518 ( 1.564 1.073 3.467) 3.951 8.587 ( -10.472 -0.747 -2.388) 10.767 8.747 ( 2.211 4.037 -2.590) 5.281 8.839 ( -12.016 8.196 -8.008) 16.604 9.123 ( 1.489 2.299 9.091) 9.494 9.231 ( 0.049 -0.240 -0.527) 0.581 9.343 ( 0.637 -3.781 3.813) 5.408 9.433 ( -6.090 -3.738 0.540) 7.166 9.534 ( 0.767 -1.036 -2.183) 2.535 9.550 ( 6.205 -5.493 -0.040) 8.287 9.710 ( -2.834 -2.941 3.903) 5.649 9.822 ( -11.707 -1.719 -5.897) 13.221 9.942 ( -7.314 1.513 0.156) 7.471 10.034 ( -2.557 2.760 -5.808) 6.921 10.077 ( -3.929 6.120 0.421) 7.284 10.094 ( -1.129 6.726 -0.853) 6.873 10.238 ( -6.273 10.838 0.502) 12.533 10.266 ( -8.337 12.601 -1.424) 15.176 10.380 ( -8.049 1.912 1.198) 8.359 10.431 ( -5.504 2.811 -3.500) 7.103 10.608 ( -7.838 0.934 5.819) 9.807 10.729 ( -2.832 2.682 -4.487) 5.945 10.801 ( -14.175 6.004 5.059) 16.204 10.888 ( -9.272 6.528 -0.217) 11.342 10.978 ( -5.467 3.866 5.791) 8.853 11.034 ( 1.095 -2.518 0.170) 2.751 11.094 ( 4.077 5.010 0.032) 6.459 11.178 ( -5.975 -0.160 -5.768) 8.306 11.498 ( -3.477 -1.882 0.181) 3.957 11.515 ( -4.226 -2.303 -0.907) 4.898 11.582 ( -4.887 -9.805 0.087) 10.956 11.596 ( -4.662 -8.633 -0.812) 9.845 11.827 ( -9.468 -5.027 -0.301) 10.724 11.840 ( -6.830 -5.397 -1.671) 8.863 12.680 ( -5.188 16.843 15.182) 23.261 12.850 ( -15.688 8.764 20.006) 26.891 13.080 ( -0.831 17.513 -17.909) 25.062 13.324 ( -16.671 9.760 -21.290) 28.748 13.526 ( 21.231 -7.320 14.007) 26.468 13.737 ( 20.850 -9.906 9.552) 24.982 13.926 ( 17.694 -7.084 -12.740) 22.925 14.138 ( 17.635 -10.174 -18.777) 27.696 15.057 ( -9.626 -4.243 13.642) 17.227 15.290 ( -17.263 7.805 -7.974) 20.555 15.534 ( 1.482 -4.980 14.576) 15.474 15.639 ( -11.330 3.916 9.072) 15.033 15.720 ( -16.677 10.985 0.838) 19.987 16.140 ( 12.331 -15.881 -23.535) 30.954 16.853 ( -15.426 -21.363 6.371) 27.110 16.895 ( -4.651 -27.769 4.034) 28.444 17.788 ( 1.517 9.326 4.870) 10.630 17.850 ( 3.104 5.462 2.296) 6.689 17.921 ( -0.967 3.335 -0.356) 3.490 17.962 ( 5.340 -0.864 -3.252) 6.311 17.991 ( 4.346 5.309 -3.353) 7.637 18.061 ( 3.158 4.631 -6.599) 8.658 18.168 ( 3.765 -0.656 -0.233) 3.829 18.201 ( 3.239 2.227 -1.880) 4.358 18.383 ( 2.442 2.424 10.541) 11.089 18.557 ( 0.585 5.113 -3.689) 6.332 18.671 ( 4.324 -4.522 3.429) 7.135 18.744 ( 2.632 0.134 -3.284) 4.211 18.889 ( -1.233 5.166 2.859) 6.032 18.937 ( -0.540 1.507 1.271) 2.044 19.010 ( -0.181 3.071 0.691) 3.153 19.086 ( -0.275 1.265 -4.487) 4.670 24.338 ( -0.133 0.680 0.873) 1.115 24.357 ( -0.753 0.784 -0.685) 1.285 24.361 ( -0.074 0.097 0.587) 0.599 24.379 ( -0.829 0.354 -0.991) 1.340 24.409 ( -2.046 1.601 0.162) 2.603 24.411 ( -2.037 1.398 -0.046) 2.470 24.470 ( -2.904 -0.376 0.745) 3.022 24.484 ( -2.943 -0.402 -0.518) 3.016 24.802 ( 3.199 0.436 0.741) 3.312 24.819 ( 3.024 0.609 -0.406) 3.111 24.838 ( 2.872 0.028 -0.432) 2.905 24.841 ( 2.631 0.087 -0.323) 2.652 24.897 ( 0.037 0.491 0.697) 0.853 24.912 ( -0.857 0.668 -0.607) 1.244 24.924 ( 0.278 -0.141 0.671) 0.740 24.934 ( -0.698 0.137 -0.256) 0.756 25.849 ( 11.348 2.888 3.211) 12.142 25.950 ( 9.916 2.512 -5.921) 11.819 26.114 ( 6.946 -4.125 1.362) 8.192 26.157 ( 5.764 -2.448 -2.557) 6.764 26.263 ( 2.818 0.959 2.980) 4.212 26.291 ( 0.231 1.335 0.186) 1.368 26.357 ( 2.922 -1.466 3.680) 4.922 26.422 ( -1.932 -1.329 -1.412) 2.737 26.515 ( 0.887 -0.476 0.147) 1.018 26.541 ( -4.123 -0.134 -1.704) 4.463 26.552 ( 0.141 -1.011 0.880) 1.348 26.598 ( 0.051 -0.871 -2.234) 2.398 26.704 ( -4.776 -0.562 2.335) 5.346 26.753 ( -4.454 0.698 -1.245) 4.677 26.793 ( -5.588 -2.096 2.943) 6.654 26.864 ( -6.749 -1.774 -2.824) 7.528 ======================= Grid point 58 (25/30) ======================= q-point: ( 0.44 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 10.039 2.706 2.529) 10.700 1.664 ( 12.348 -2.647 -2.134) 12.807 1.780 ( -6.597 -4.421 8.050) 11.308 1.840 ( 0.150 -0.151 -0.128) 0.248 2.036 ( -1.525 -2.561 9.230) 9.699 2.084 ( -1.721 12.516 -0.403) 12.640 2.126 ( 8.383 5.263 0.348) 9.904 2.210 ( 2.582 10.244 7.126) 12.743 2.307 ( -7.849 2.573 -5.446) 9.894 2.397 ( -3.539 10.016 2.080) 10.824 2.421 ( -1.771 11.175 9.784) 14.958 2.444 ( -5.458 9.654 7.981) 13.664 2.537 ( -3.354 14.673 -9.415) 17.754 2.639 ( -8.480 11.898 -5.645) 15.663 2.667 ( 3.635 1.412 -6.949) 7.968 2.707 ( 0.766 2.733 -3.201) 4.278 2.756 ( -0.499 0.179 2.752) 2.802 2.764 ( -0.139 1.596 2.911) 3.323 2.853 ( -2.082 -5.783 -6.010) 8.596 2.867 ( -2.787 -1.473 -9.164) 9.691 3.002 ( 0.533 2.140 5.428) 5.859 3.040 ( 1.201 -0.432 0.343) 1.322 3.066 ( -3.722 2.251 0.844) 4.431 3.074 ( -2.775 3.432 -0.778) 4.482 3.143 ( -0.916 1.333 1.289) 2.068 3.153 ( -1.978 2.493 4.944) 5.879 3.243 ( -1.428 2.193 -5.408) 6.008 3.273 ( -1.368 1.268 -0.807) 2.033 3.337 ( 5.389 4.630 -0.007) 7.105 3.429 ( -0.680 -0.787 3.232) 3.395 3.487 ( -1.625 3.874 -1.252) 4.383 3.505 ( 6.176 0.451 0.980) 6.270 3.528 ( -0.668 -0.046 3.544) 3.607 3.602 ( 0.964 0.593 -1.864) 2.181 3.660 ( 3.438 1.442 1.325) 3.957 3.675 ( -1.628 -0.863 -4.528) 4.889 3.736 ( 2.536 0.319 -3.765) 4.551 3.825 ( 1.110 4.930 -9.395) 10.668 3.871 ( -5.111 -0.001 2.158) 5.548 3.916 ( -6.060 2.600 -2.447) 7.034 4.051 ( 4.498 -0.670 2.538) 5.208 4.056 ( 2.928 3.717 6.028) 7.663 4.129 ( -0.196 3.312 -0.950) 3.451 4.138 ( -2.632 2.114 -0.299) 3.389 4.225 ( 2.332 0.340 2.400) 3.364 4.248 ( 0.303 1.241 1.604) 2.051 4.304 ( 0.342 2.041 -0.309) 2.093 4.327 ( -0.732 -0.139 -1.120) 1.345 4.376 ( 3.743 1.204 3.839) 5.495 4.428 ( -1.746 0.082 1.513) 2.311 4.430 ( -0.729 -0.181 -1.257) 1.465 4.461 ( 0.627 2.179 -5.925) 6.344 4.462 ( -0.657 2.241 -0.784) 2.463 4.514 ( 4.342 0.857 -4.896) 6.600 4.552 ( -2.197 0.203 -1.909) 2.918 4.594 ( 0.537 -0.050 -3.864) 3.902 4.773 ( -0.201 -2.032 -1.260) 2.400 4.792 ( -2.062 -1.105 1.719) 2.903 4.841 ( 3.034 0.497 -5.585) 6.375 4.893 ( -1.095 1.641 -3.532) 4.045 5.163 ( 2.349 -1.499 1.141) 3.011 5.188 ( 0.475 0.337 3.849) 3.893 5.194 ( 6.784 -5.232 3.146) 9.127 5.252 ( 0.084 -1.249 2.916) 3.173 5.332 ( 0.105 -2.847 3.635) 4.619 5.361 ( 0.090 2.796 2.969) 4.079 5.435 ( 6.903 -4.190 -3.499) 8.800 5.501 ( 0.263 -6.317 2.063) 6.650 5.712 ( 3.323 1.020 10.630) 11.184 5.777 ( 12.305 3.754 3.216) 13.261 5.806 ( -7.024 -5.491 18.424) 20.468 5.993 ( 8.006 -18.978 -7.917) 22.067 6.030 ( 3.656 -4.996 3.296) 7.013 6.102 ( 8.527 -7.037 -12.719) 16.852 6.262 ( -3.153 -11.470 -12.856) 17.515 6.332 ( 6.680 1.401 -1.104) 6.914 6.515 ( -5.103 -6.188 -7.036) 10.669 6.698 ( 8.484 2.239 1.954) 8.989 6.733 ( -0.920 9.888 4.797) 11.029 6.864 ( 7.286 4.049 -0.055) 8.335 7.122 ( 1.485 5.760 -2.394) 6.412 7.154 ( 25.810 4.272 -4.476) 26.541 7.259 ( 20.776 -12.041 3.380) 24.249 7.322 ( 16.349 -11.928 -0.599) 20.247 7.363 ( -7.340 2.456 15.789) 17.584 7.553 ( -6.531 -6.296 3.028) 9.564 7.627 ( -10.019 -11.207 -0.370) 15.037 7.669 ( -6.909 -7.308 -9.249) 13.664 7.923 ( 4.280 -8.060 3.900) 9.924 7.986 ( -5.238 -4.835 0.391) 7.139 8.161 ( -7.057 8.622 0.435) 11.150 8.201 ( -7.618 3.592 -3.359) 9.068 8.482 ( 14.696 -17.937 -0.328) 23.191 8.527 ( 14.539 -5.118 -4.232) 15.984 8.665 ( 11.260 1.491 0.755) 11.383 8.721 ( 8.223 -5.648 -2.926) 10.396 8.869 ( 13.655 3.896 3.197) 14.556 8.957 ( 10.958 -0.418 -4.013) 11.677 9.039 ( -2.304 -8.638 1.487) 9.063 9.094 ( -13.002 -7.578 -3.110) 15.367 9.175 ( -8.846 -0.657 3.990) 9.726 9.273 ( -7.683 -5.288 -3.038) 9.810 9.451 ( -14.346 -4.628 1.150) 15.118 9.491 ( -15.939 -5.818 -1.112) 17.004 9.631 ( 2.131 11.403 3.552) 12.132 9.708 ( -4.342 9.668 0.072) 10.598 9.784 ( -1.834 13.596 -0.318) 13.723 9.830 ( -8.855 14.095 -2.386) 16.816 9.991 ( -1.273 12.324 5.920) 13.731 10.067 ( -1.281 9.855 2.433) 10.231 10.144 ( -4.956 5.616 3.210) 8.149 10.213 ( 0.349 3.084 -0.806) 3.206 10.277 ( -1.849 1.337 2.734) 3.561 10.389 ( -5.347 0.657 -0.256) 5.394 10.433 ( -3.012 5.897 -3.595) 7.534 10.481 ( -4.002 9.046 -6.701) 11.948 10.787 ( 1.346 1.377 1.844) 2.666 10.840 ( -2.149 2.519 5.474) 6.398 10.877 ( 3.714 2.520 -4.249) 6.180 11.003 ( -6.545 0.499 -7.050) 9.633 11.196 ( 7.859 -3.691 4.749) 9.897 11.280 ( 6.715 -4.377 -1.744) 8.202 11.366 ( -7.289 -6.302 2.706) 10.008 11.420 ( -5.795 -6.654 -1.569) 8.963 11.531 ( 1.039 -6.189 0.565) 6.301 11.558 ( 1.798 -6.253 -1.821) 6.756 11.648 ( -7.182 -3.983 -0.405) 8.223 11.683 ( -7.523 -4.945 -3.502) 9.660 12.600 ( -2.055 18.406 19.185) 26.666 12.628 ( -5.619 15.793 19.966) 26.070 13.050 ( -0.882 17.278 -19.217) 25.857 13.091 ( -6.021 14.980 -19.952) 25.666 13.918 ( 15.106 -20.451 12.391) 28.283 14.037 ( 5.612 -25.660 11.406) 28.637 14.232 ( 11.464 -16.612 -13.041) 24.030 14.352 ( 1.530 -22.190 -15.349) 27.024 15.002 ( 4.099 16.277 5.039) 17.525 15.064 ( -0.692 21.763 -0.908) 21.793 15.182 ( -15.708 19.816 5.036) 25.784 15.299 ( -17.388 17.824 -4.868) 25.372 16.030 ( 22.445 -16.910 18.182) 33.471 16.441 ( 14.544 -22.097 -16.615) 31.238 16.481 ( -19.648 -19.492 11.778) 30.079 16.730 ( -11.586 -27.166 -7.859) 30.562 17.825 ( 2.106 9.666 3.397) 10.460 17.873 ( -2.627 7.796 1.363) 8.339 17.895 ( 1.999 8.561 -1.740) 8.962 17.948 ( -3.061 10.042 -6.042) 12.112 18.127 ( 7.212 -0.259 1.652) 7.403 18.162 ( 4.318 -1.446 -0.932) 4.648 18.228 ( 0.128 -4.132 1.619) 4.440 18.230 ( -1.857 -3.331 1.480) 4.091 18.515 ( 9.347 4.278 3.261) 10.785 18.595 ( 5.102 6.293 -0.726) 8.134 18.690 ( -4.205 1.685 2.641) 5.243 18.787 ( -3.565 -0.007 -3.337) 4.883 18.858 ( -1.013 2.861 0.964) 3.185 18.897 ( 4.695 0.888 -2.096) 5.217 18.946 ( -5.033 1.490 2.863) 5.979 19.021 ( -5.561 -0.539 -3.299) 6.488 24.344 ( 0.729 0.860 0.318) 1.171 24.350 ( 0.164 0.908 -0.214) 0.947 24.363 ( -0.900 1.033 -0.038) 1.371 24.365 ( -0.770 1.073 -0.194) 1.335 24.381 ( 0.666 0.138 0.427) 0.803 24.390 ( 0.316 -0.017 -0.316) 0.447 24.417 ( -2.122 -0.277 0.281) 2.158 24.423 ( -2.781 -0.274 -0.244) 2.805 24.856 ( 2.034 0.420 0.468) 2.129 24.866 ( 1.568 0.700 -0.250) 1.736 24.880 ( 1.084 0.190 -0.100) 1.106 24.881 ( 0.536 0.515 -0.221) 0.775 24.892 ( -0.442 0.205 0.172) 0.517 24.896 ( 0.335 0.223 -0.155) 0.431 24.913 ( -1.264 0.019 0.206) 1.281 24.917 ( -0.876 -0.133 -0.087) 0.891 26.071 ( 10.019 1.823 2.403) 10.464 26.145 ( 8.784 1.543 -4.245) 9.878 26.234 ( 1.583 -1.790 0.703) 2.491 26.241 ( -0.968 -0.506 0.785) 1.345 26.264 ( 1.010 -0.641 -0.538) 1.312 26.282 ( -0.725 0.474 -1.053) 1.363 26.322 ( -3.774 -1.295 0.923) 4.095 26.354 ( -5.559 -1.415 -2.135) 6.121 26.497 ( 4.224 0.915 4.949) 6.570 26.585 ( 1.748 -0.403 -0.566) 1.881 26.607 ( -3.165 0.156 1.804) 3.646 26.613 ( 4.047 -1.866 0.691) 4.510 26.640 ( 3.063 -1.091 -1.130) 3.442 26.670 ( -3.476 -0.201 -1.155) 3.669 26.697 ( -4.042 -1.623 0.662) 4.406 26.737 ( -5.624 -1.121 -2.087) 6.103 ======================= Grid point 63 (26/30) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( 0.000 14.433 9.033) 17.027 1.010 ( 0.000 -13.816 -0.864) 13.843 1.234 ( 0.000 -7.415 -17.592) 19.091 1.241 ( 0.000 -6.657 -30.177) 30.903 1.425 ( 0.000 20.024 -0.859) 20.042 1.752 ( 0.000 -9.358 -3.684) 10.057 1.758 ( 0.000 -0.625 -22.227) 22.236 1.790 ( 0.000 11.345 24.593) 27.083 1.934 ( 0.000 -7.273 -9.005) 11.575 2.150 ( 0.000 -10.701 19.544) 22.282 2.322 ( 0.000 9.352 3.783) 10.088 2.388 ( 0.000 4.986 -14.300) 15.144 2.472 ( 0.000 8.059 3.894) 8.950 2.527 ( 0.000 17.716 3.296) 18.020 2.528 ( 0.000 5.018 -3.106) 5.902 2.629 ( 0.000 -9.697 4.207) 10.571 2.663 ( 0.000 1.546 0.041) 1.546 2.706 ( 0.000 0.762 1.063) 1.308 2.782 ( 0.000 -5.817 -2.830) 6.468 2.827 ( 0.000 -9.594 -5.487) 11.052 2.888 ( 0.000 0.284 10.536) 10.540 2.903 ( 0.000 -3.013 13.385) 13.720 2.953 ( 0.000 4.787 5.688) 7.434 2.970 ( 0.000 13.586 7.529) 15.532 3.191 ( 0.000 11.255 8.961) 14.387 3.210 ( 0.000 5.498 -0.346) 5.509 3.253 ( 0.000 6.420 -1.479) 6.589 3.311 ( 0.000 3.560 -3.185) 4.777 3.341 ( 0.000 13.078 0.054) 13.078 3.429 ( 0.000 -5.950 8.347) 10.250 3.501 ( 0.000 2.878 4.357) 5.221 3.505 ( 0.000 -2.394 -9.525) 9.821 3.532 ( 0.000 1.080 -4.036) 4.178 3.585 ( 0.000 1.949 4.292) 4.713 3.653 ( 0.000 15.193 -3.024) 15.491 3.741 ( 0.000 -3.634 5.284) 6.413 3.766 ( 0.000 6.547 -4.524) 7.958 3.787 ( 0.000 -4.953 -3.465) 6.045 3.873 ( 0.000 -5.842 -1.337) 5.993 3.882 ( 0.000 10.358 0.565) 10.373 3.934 ( 0.000 -5.702 -9.514) 11.092 3.964 ( 0.000 0.391 6.623) 6.634 3.978 ( 0.000 -0.986 -0.224) 1.011 4.062 ( 0.000 -8.977 9.185) 12.843 4.117 ( 0.000 12.707 -8.881) 15.503 4.189 ( 0.000 3.513 -6.558) 7.439 4.200 ( 0.000 2.759 -9.763) 10.145 4.275 ( 0.000 0.564 -1.311) 1.427 4.342 ( 0.000 2.929 3.805) 4.802 4.390 ( 0.000 -3.206 1.360) 3.482 4.397 ( 0.000 0.083 0.117) 0.143 4.424 ( 0.000 -2.125 -1.302) 2.492 4.512 ( 0.000 3.050 -2.815) 4.151 4.542 ( 0.000 12.815 -6.711) 14.466 4.560 ( 0.000 3.982 -1.485) 4.249 4.569 ( 0.000 -0.906 1.519) 1.769 4.646 ( 0.000 -4.885 1.485) 5.106 4.662 ( 0.000 4.303 -4.962) 6.567 4.679 ( 0.000 -2.164 2.274) 3.139 4.754 ( 0.000 5.293 11.137) 12.331 4.763 ( 0.000 0.454 7.742) 7.755 4.865 ( 0.000 -7.008 4.273) 8.208 4.949 ( 0.000 3.841 -2.237) 4.444 4.968 ( 0.000 5.897 5.123) 7.811 4.989 ( 0.000 -1.564 -1.344) 2.063 5.047 ( 0.000 -2.180 2.792) 3.542 5.055 ( 0.000 5.833 -2.764) 6.455 5.178 ( 0.000 -13.369 -12.294) 18.163 5.293 ( 0.000 0.289 8.195) 8.200 5.359 ( 0.000 18.097 13.667) 22.678 5.389 ( 0.000 -7.685 -2.492) 8.079 5.652 ( 0.000 11.144 -10.347) 15.207 5.715 ( 0.000 -2.401 -25.477) 25.590 5.740 ( 0.000 2.339 -11.633) 11.866 5.795 ( 0.000 5.397 -0.581) 5.429 5.920 ( 0.000 -0.502 -12.219) 12.230 5.962 ( 0.000 -36.100 1.181) 36.119 6.034 ( 0.000 -27.750 -3.589) 27.981 6.098 ( 0.000 -26.359 0.699) 26.368 6.114 ( 0.000 -25.470 -2.781) 25.622 6.454 ( 0.000 7.880 25.053) 26.263 6.616 ( 0.000 -10.031 18.611) 21.143 7.030 ( 0.000 12.368 13.335) 18.187 7.086 ( 0.000 4.763 -15.406) 16.126 7.096 ( 0.000 -2.359 -22.536) 22.659 7.338 ( 0.000 -11.778 23.391) 26.189 7.472 ( 0.000 5.080 23.127) 23.679 7.560 ( 0.000 1.299 -0.504) 1.394 7.846 ( 0.000 6.010 1.644) 6.231 8.014 ( 0.000 -4.384 -12.047) 12.820 8.084 ( 0.000 5.503 4.965) 7.412 8.218 ( 0.000 -6.427 -9.077) 11.122 8.314 ( 0.000 4.431 -3.472) 5.629 8.460 ( 0.000 -7.647 19.151) 20.621 8.604 ( 0.000 19.615 -14.631) 24.471 8.855 ( 0.000 2.556 16.941) 17.133 8.979 ( 0.000 -10.711 -22.054) 24.518 9.063 ( 0.000 -6.710 6.031) 9.021 9.135 ( 0.000 5.835 -3.925) 7.032 9.187 ( 0.000 7.127 2.946) 7.712 9.215 ( 0.000 9.307 -3.973) 10.120 9.321 ( 0.000 -5.961 -9.109) 10.886 9.343 ( 0.000 -6.093 -7.722) 9.837 9.373 ( 0.000 -3.698 -4.272) 5.650 9.872 ( 0.000 -0.567 2.915) 2.970 9.876 ( 0.000 -1.487 5.427) 5.627 9.938 ( 0.000 2.184 -2.416) 3.257 9.980 ( 0.000 -1.504 -1.254) 1.958 10.219 ( 0.000 7.207 10.698) 12.899 10.373 ( 0.000 -8.918 12.788) 15.591 10.402 ( 0.000 6.394 -5.071) 8.161 10.531 ( 0.000 -7.037 -3.331) 7.785 10.684 ( 0.000 11.470 11.005) 15.896 10.837 ( 0.000 -2.533 12.486) 12.740 10.981 ( 0.000 16.714 -14.390) 22.056 11.056 ( 0.000 11.249 -3.370) 11.743 11.239 ( 0.000 -2.515 -2.946) 3.874 11.276 ( 0.000 -6.783 3.012) 7.422 11.303 ( 0.000 -6.247 -9.958) 11.755 11.345 ( 0.000 -4.182 -3.008) 5.151 11.615 ( 0.000 0.855 8.266) 8.310 11.615 ( 0.000 1.398 9.128) 9.235 11.817 ( 0.000 4.966 -2.585) 5.599 11.817 ( 0.000 1.470 -3.554) 3.846 11.828 ( 0.000 1.531 6.770) 6.941 11.872 ( 0.000 -0.092 2.961) 2.962 12.002 ( 0.000 7.128 -4.014) 8.181 12.075 ( 0.000 0.017 -7.575) 7.575 12.460 ( 0.000 12.607 7.064) 14.452 12.654 ( 0.000 12.617 -4.149) 13.282 12.793 ( 0.000 -22.000 -2.685) 22.163 12.877 ( 0.000 -13.242 -8.170) 15.559 13.056 ( 0.000 12.343 5.070) 13.343 13.352 ( 0.000 20.955 -16.684) 26.786 13.395 ( 0.000 -22.785 16.252) 27.987 13.787 ( 0.000 -24.496 -18.911) 30.947 15.420 ( 0.000 7.351 26.972) 27.956 15.623 ( 0.000 -14.497 24.091) 28.117 16.053 ( 0.000 5.857 -30.302) 30.862 16.213 ( 0.000 -11.068 -28.796) 30.849 17.211 ( 0.000 9.757 8.589) 12.999 17.212 ( 0.000 2.143 15.199) 15.349 17.259 ( 0.000 2.880 9.158) 9.600 17.411 ( 0.000 -6.803 -0.242) 6.807 17.633 ( 0.000 2.863 2.102) 3.552 17.639 ( 0.000 3.404 5.120) 6.148 17.708 ( 0.000 -4.172 1.065) 4.306 17.713 ( 0.000 -4.054 4.108) 5.771 17.807 ( 0.000 4.058 -5.495) 6.831 17.839 ( 0.000 3.102 -5.572) 6.377 17.908 ( 0.000 -5.368 -7.297) 9.059 17.919 ( 0.000 -3.911 -6.022) 7.180 18.296 ( 0.000 0.321 9.107) 9.113 18.308 ( 0.000 -1.066 7.523) 7.598 18.445 ( 0.000 4.129 -4.762) 6.303 18.472 ( 0.000 -0.191 -7.690) 7.692 18.625 ( 0.000 11.585 1.417) 11.672 18.666 ( 0.000 6.708 -1.874) 6.965 18.743 ( 0.000 -1.290 2.041) 2.414 18.776 ( 0.000 -4.408 -1.193) 4.566 24.399 ( 0.000 0.106 2.707) 2.709 24.401 ( 0.000 0.002 2.460) 2.460 24.439 ( 0.000 0.287 -0.833) 0.881 24.442 ( 0.000 -0.059 -0.951) 0.953 24.479 ( 0.000 0.022 0.901) 0.901 24.480 ( 0.000 -0.006 0.922) 0.923 24.523 ( 0.000 0.621 -3.026) 3.089 24.529 ( 0.000 -0.066 -3.926) 3.927 24.695 ( 0.000 2.583 3.881) 4.662 24.723 ( 0.000 -0.756 2.025) 2.161 24.741 ( 0.000 0.033 -0.872) 0.873 24.742 ( 0.000 -0.114 -0.392) 0.408 24.788 ( 0.000 1.417 2.682) 3.034 24.810 ( 0.000 -0.846 4.981) 5.052 24.899 ( 0.000 3.623 -6.542) 7.478 24.935 ( 0.000 -0.734 -5.396) 5.446 25.483 ( 0.000 7.394 4.820) 8.826 25.629 ( 0.000 7.258 -8.493) 11.172 25.639 ( 0.000 -9.230 4.631) 10.327 25.777 ( 0.000 -8.320 -8.061) 11.584 26.131 ( 0.000 3.080 12.423) 12.799 26.193 ( 0.000 -3.182 9.054) 9.597 26.341 ( 0.000 1.226 -4.686) 4.844 26.356 ( 0.000 -0.363 -8.295) 8.303 26.543 ( 0.000 6.794 3.448) 7.619 26.639 ( 0.000 6.178 -5.152) 8.044 26.675 ( 0.000 -7.175 4.359) 8.395 26.774 ( 0.000 -8.146 -4.936) 9.525 26.952 ( 0.000 2.936 5.429) 6.172 27.032 ( 0.000 -5.937 6.442) 8.761 27.060 ( 0.000 4.873 -4.113) 6.377 27.158 ( 0.000 -5.743 -4.906) 7.553 ======================= Grid point 64 (27/30) ======================= q-point: ( 0.11 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 27.042 8.187 4.181) 28.561 1.319 ( 14.932 -3.135 -4.629) 15.944 1.457 ( 21.058 0.282 5.349) 21.728 1.519 ( 19.773 2.409 2.252) 20.046 1.596 ( 14.513 9.646 -14.034) 22.374 1.850 ( 9.530 3.031 6.864) 12.129 1.932 ( 13.063 -5.299 -8.666) 16.548 1.950 ( 14.475 -9.028 -6.285) 18.181 2.128 ( 18.925 6.596 -4.268) 20.491 2.269 ( 6.175 1.472 15.445) 16.699 2.406 ( 8.983 1.177 5.186) 10.439 2.436 ( 0.781 9.065 -10.658) 14.013 2.480 ( 4.120 0.577 4.764) 6.325 2.581 ( 5.285 -3.079 -3.758) 7.179 2.635 ( 0.313 3.082 2.883) 4.232 2.661 ( 4.705 -4.463 -2.544) 6.966 2.710 ( 8.297 5.133 -6.631) 11.797 2.769 ( 2.506 2.041 -4.144) 5.256 2.813 ( 1.785 -0.992 0.261) 2.059 2.847 ( 5.506 -6.759 1.165) 8.795 2.926 ( 1.743 4.104 -0.534) 4.490 2.948 ( 4.263 -1.377 6.517) 7.909 2.966 ( 4.312 -2.955 -2.219) 5.679 3.034 ( 6.561 1.661 5.428) 8.676 3.175 ( 4.334 14.286 6.984) 16.481 3.246 ( -0.451 8.009 0.490) 8.037 3.285 ( 3.675 6.124 2.036) 7.426 3.329 ( -2.487 7.086 -6.433) 9.888 3.387 ( 6.569 2.264 -1.917) 7.208 3.442 ( -0.257 4.392 2.939) 5.291 3.482 ( 4.786 0.318 9.064) 10.255 3.502 ( 2.827 -1.531 7.657) 8.304 3.598 ( 3.843 6.399 2.812) 7.976 3.613 ( -4.378 -3.161 1.846) 5.707 3.642 ( 3.749 1.737 3.976) 5.735 3.701 ( -6.350 -2.613 2.642) 7.357 3.774 ( -0.753 4.545 1.123) 4.742 3.808 ( 7.491 4.863 -3.501) 9.593 3.847 ( 1.790 4.388 1.686) 5.030 3.926 ( -1.984 0.607 -4.424) 4.886 3.944 ( -1.846 -2.069 -3.795) 4.700 3.977 ( -1.434 0.644 4.100) 4.391 4.015 ( 0.458 5.478 -5.733) 7.943 4.047 ( 0.937 6.159 0.775) 6.278 4.121 ( 4.268 -3.334 -1.910) 5.743 4.143 ( -2.770 1.986 -5.970) 6.874 4.213 ( 1.718 0.891 -6.393) 6.679 4.276 ( -0.486 -2.059 -4.781) 5.228 4.323 ( -2.955 6.325 0.604) 7.007 4.357 ( -0.945 2.261 2.654) 3.612 4.382 ( -2.383 0.836 1.867) 3.141 4.434 ( -0.736 -3.084 0.717) 3.250 4.491 ( -1.454 2.804 -4.107) 5.181 4.515 ( 0.809 -0.687 -2.272) 2.507 4.539 ( -1.678 3.727 -3.074) 5.115 4.619 ( 1.389 5.866 -3.412) 6.927 4.638 ( 0.982 2.465 -1.951) 3.294 4.645 ( 2.692 -0.239 -4.537) 5.281 4.706 ( 1.431 -3.433 0.474) 3.749 4.756 ( 1.097 -4.786 -0.303) 4.919 4.807 ( 0.074 3.277 6.995) 7.725 4.875 ( -0.695 -0.176 5.248) 5.296 4.919 ( 3.094 1.843 3.631) 5.114 4.934 ( -0.149 1.921 -0.061) 1.928 5.012 ( 1.291 1.566 -0.459) 2.081 5.050 ( 1.097 0.018 -3.447) 3.617 5.165 ( 3.032 -0.327 -5.673) 6.440 5.220 ( 3.274 -6.854 -7.840) 10.916 5.290 ( 2.479 -0.487 9.504) 9.834 5.357 ( 2.548 7.710 11.618) 14.174 5.378 ( 1.317 -6.567 5.977) 8.977 5.666 ( -3.276 -0.403 -6.253) 7.070 5.707 ( 2.790 7.655 -7.812) 11.287 5.761 ( 2.737 0.257 -13.542) 13.818 5.837 ( 3.836 7.564 0.105) 8.482 5.895 ( 4.760 -2.212 -7.399) 9.072 6.004 ( 1.201 -26.144 -1.164) 26.198 6.038 ( -2.339 -19.739 0.873) 19.897 6.151 ( 5.475 -23.213 -1.336) 23.887 6.186 ( 7.208 -22.990 -6.245) 24.889 6.478 ( 2.834 -0.534 20.245) 20.449 6.609 ( -0.523 -9.030 18.588) 20.672 7.020 ( -5.395 6.985 4.468) 9.892 7.059 ( 1.583 4.170 -4.314) 6.206 7.137 ( 2.149 -1.213 -24.446) 24.571 7.251 ( -5.722 -7.004 15.208) 17.694 7.469 ( -0.137 3.993 13.212) 13.802 7.535 ( -2.183 0.900 -7.085) 7.468 7.817 ( -0.540 0.187 12.963) 12.976 7.909 ( -7.234 -8.072 -7.452) 13.154 8.123 ( 1.859 9.373 -7.506) 12.151 8.255 ( 3.360 -1.414 -7.852) 8.657 8.363 ( 2.408 5.178 1.455) 5.893 8.460 ( -1.534 -3.630 16.562) 17.025 8.611 ( 1.172 12.778 -6.330) 14.308 8.858 ( -3.549 -13.228 -3.664) 14.177 8.976 ( 5.077 4.763 -0.132) 6.963 9.066 ( 1.148 -3.886 6.866) 7.972 9.171 ( 2.179 4.933 0.013) 5.393 9.196 ( -0.419 3.774 1.394) 4.046 9.243 ( 3.626 9.492 -3.412) 10.718 9.347 ( 2.792 -0.007 -8.008) 8.481 9.407 ( 2.331 -5.089 -3.324) 6.511 9.441 ( 5.645 -8.588 -8.894) 13.591 9.827 ( -6.576 3.139 6.124) 9.518 9.895 ( 0.632 -3.552 3.198) 4.821 9.929 ( -3.315 1.858 -0.107) 3.802 9.962 ( 1.406 -1.890 -1.413) 2.747 10.193 ( -0.168 4.379 5.453) 6.996 10.289 ( -5.269 -2.704 8.607) 10.448 10.378 ( -1.998 2.493 -3.977) 5.102 10.493 ( -3.655 -6.781 -5.263) 9.329 10.652 ( -1.766 9.511 8.997) 13.211 10.790 ( -3.015 -2.441 9.403) 10.172 10.900 ( -6.500 11.345 -10.555) 16.804 11.026 ( -4.267 5.819 -7.495) 10.405 11.142 ( -5.524 2.862 1.221) 6.340 11.241 ( -3.159 8.582 -7.006) 11.521 11.328 ( -0.494 -9.002 0.658) 9.039 11.378 ( -0.089 -2.107 -0.738) 2.234 11.511 ( -8.889 -1.360 5.709) 10.652 11.540 ( -6.330 -2.172 6.716) 9.481 11.648 ( -10.354 1.558 -1.032) 10.522 11.685 ( -9.231 -2.073 -2.922) 9.902 11.831 ( -4.662 4.485 0.258) 6.475 11.865 ( -2.223 5.218 1.761) 5.939 11.917 ( -5.800 2.542 1.889) 6.608 12.043 ( -4.987 -6.348 -4.169) 9.086 12.657 ( 16.250 11.283 10.401) 22.351 12.826 ( 13.669 12.736 2.931) 18.911 12.895 ( 9.044 -11.815 4.400) 15.516 13.074 ( 13.449 -6.739 -6.988) 16.586 13.214 ( 14.113 2.971 -5.529) 15.446 13.363 ( -1.526 -10.673 10.777) 15.244 13.468 ( 9.579 12.074 -17.430) 23.267 13.793 ( -0.061 -19.042 -22.830) 29.729 15.265 ( -12.086 5.112 29.419) 32.214 15.444 ( -15.103 -13.832 24.994) 32.313 15.909 ( -11.406 3.040 -29.158) 31.457 16.023 ( -15.781 -8.929 -26.894) 32.436 16.871 ( -26.193 5.350 9.773) 28.464 16.920 ( -22.396 4.993 5.266) 23.542 16.963 ( -20.488 0.018 8.822) 22.307 17.115 ( -19.068 -9.076 -3.411) 21.392 17.662 ( 3.050 2.980 0.986) 4.376 17.724 ( 2.065 2.352 -3.625) 4.789 17.738 ( 3.047 -4.696 0.130) 5.599 17.782 ( 2.290 -3.520 -3.194) 5.276 17.848 ( 6.859 4.567 7.866) 11.392 17.932 ( 7.891 -4.208 8.482) 12.326 18.042 ( 10.935 4.556 -8.603) 14.640 18.123 ( 10.192 -3.768 -6.748) 12.791 18.373 ( 3.881 3.474 7.177) 8.868 18.421 ( 6.400 -2.155 8.478) 10.839 18.513 ( 4.027 5.909 -3.883) 8.137 18.572 ( 5.773 -0.703 -4.688) 7.470 18.703 ( 8.774 6.740 4.382) 11.900 18.799 ( 4.120 -2.055 1.656) 4.893 18.809 ( 11.114 3.912 -3.685) 12.345 18.850 ( 10.005 0.283 -2.039) 10.215 24.382 ( -1.113 0.520 2.130) 2.459 24.389 ( -0.964 -0.215 2.027) 2.255 24.423 ( -1.217 0.647 -1.230) 1.847 24.430 ( -1.107 -0.174 -1.486) 1.861 24.499 ( 1.268 0.827 0.845) 1.733 24.511 ( 1.646 -0.580 0.582) 1.840 24.527 ( -0.535 1.047 -1.465) 1.878 24.540 ( 0.179 -0.363 -2.386) 2.420 24.692 ( 1.216 1.761 2.267) 3.117 24.711 ( 0.317 -0.238 1.969) 2.009 24.732 ( 0.213 0.829 -0.870) 1.221 24.745 ( 0.463 -0.597 -0.869) 1.152 24.838 ( 3.464 0.768 2.771) 4.502 24.848 ( 2.644 -0.239 3.557) 4.439 24.923 ( 1.599 1.688 -4.531) 5.093 24.940 ( 0.283 -0.167 -4.124) 4.137 25.548 ( 6.074 7.058 4.589) 10.381 25.687 ( 5.415 4.252 -6.206) 9.269 25.697 ( 5.449 -6.329 2.080) 8.607 25.824 ( 4.380 -7.579 -7.520) 11.540 26.153 ( 2.166 2.674 11.043) 11.566 26.207 ( 1.446 -2.729 8.273) 8.831 26.343 ( 0.171 1.542 -5.127) 5.357 26.362 ( 0.693 -0.550 -7.330) 7.383 26.526 ( -1.364 5.680 3.752) 6.942 26.619 ( -1.874 4.073 -3.873) 5.925 26.645 ( -2.699 -5.431 3.156) 6.837 26.735 ( -3.591 -6.880 -4.574) 9.008 26.908 ( -4.006 2.317 5.068) 6.863 26.975 ( -5.110 -4.987 5.926) 9.279 27.010 ( -4.509 4.205 -3.911) 7.301 27.092 ( -5.757 -4.570 -4.553) 8.646 ======================= Grid point 65 (28/30) ======================= q-point: ( 0.22 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 4.779 15.323 14.682) 21.753 1.537 ( 2.988 2.104 12.085) 12.625 1.655 ( 3.736 0.359 5.871) 6.968 1.805 ( 3.924 -9.847 5.395) 11.894 1.993 ( 21.154 16.591 -9.559) 28.532 2.071 ( 7.283 5.674 0.061) 9.233 2.149 ( 6.020 3.910 3.347) 7.920 2.189 ( 10.866 -5.197 -5.655) 13.307 2.339 ( -1.980 1.802 11.507) 11.815 2.464 ( 5.688 -5.704 -2.062) 8.315 2.540 ( 13.317 8.860 -0.328) 15.999 2.583 ( 1.335 -0.542 -1.644) 2.186 2.596 ( 4.386 1.528 -1.614) 4.917 2.676 ( 1.753 4.831 -3.364) 6.142 2.696 ( 6.282 -4.744 -6.035) 9.919 2.719 ( 2.720 1.790 -8.457) 9.063 2.800 ( 4.997 -0.915 3.329) 6.074 2.859 ( 4.052 -1.770 -2.202) 4.939 2.897 ( 5.291 -1.475 -3.270) 6.392 2.929 ( 1.199 -3.645 -4.300) 5.763 3.015 ( 8.895 5.755 1.444) 10.692 3.093 ( 8.295 1.467 2.468) 8.778 3.102 ( 6.252 3.846 -2.358) 7.710 3.168 ( -3.490 10.328 1.505) 11.005 3.240 ( 2.245 -0.997 1.150) 2.712 3.254 ( 5.199 1.252 -1.096) 5.459 3.282 ( -0.254 -1.191 3.544) 3.748 3.367 ( -3.313 -8.339 -1.672) 9.128 3.408 ( -5.678 3.718 0.343) 6.796 3.430 ( -0.243 2.154 -2.369) 3.211 3.499 ( -2.307 1.056 -2.835) 3.804 3.510 ( -0.151 0.312 -2.841) 2.863 3.602 ( -1.789 10.527 0.247) 10.681 3.636 ( 2.183 0.621 -1.978) 3.011 3.716 ( 5.318 -0.040 3.459) 6.344 3.740 ( 4.764 5.871 3.905) 8.510 3.786 ( -3.025 -0.604 0.807) 3.189 3.839 ( -2.692 1.769 1.339) 3.489 3.852 ( 3.048 1.012 4.354) 5.410 3.901 ( -0.646 1.279 2.541) 2.917 3.939 ( -1.180 2.902 -2.801) 4.202 3.998 ( -0.067 -2.201 0.808) 2.345 4.046 ( 4.164 2.917 0.420) 5.101 4.067 ( 2.306 3.196 1.316) 4.155 4.113 ( 1.768 7.997 -0.352) 8.198 4.193 ( 3.497 0.795 -1.159) 3.769 4.269 ( 2.779 4.782 -4.087) 6.877 4.288 ( 3.456 -0.733 6.120) 7.066 4.313 ( 0.997 -2.117 1.940) 3.040 4.350 ( 3.174 -0.796 -6.797) 7.543 4.354 ( 2.465 4.649 -9.215) 10.611 4.400 ( -1.471 -2.386 -1.805) 3.334 4.481 ( -0.193 2.328 -1.005) 2.543 4.539 ( 0.531 1.332 -3.786) 4.049 4.569 ( -0.199 -1.882 -6.567) 6.835 4.616 ( -2.670 -0.282 -4.988) 5.665 4.679 ( 2.215 11.860 -2.849) 12.397 4.708 ( 9.403 6.761 -3.531) 12.108 4.806 ( 9.622 -2.407 4.243) 10.788 4.855 ( 3.415 -1.419 3.854) 5.341 4.889 ( 9.963 -2.815 -0.181) 10.355 4.924 ( 7.676 -3.095 1.345) 8.385 4.949 ( 2.700 4.341 1.818) 5.426 4.993 ( 3.868 -2.159 -0.538) 4.462 5.069 ( 4.260 -2.691 -2.227) 5.509 5.128 ( 8.437 0.512 3.533) 9.161 5.194 ( 5.704 0.246 -2.860) 6.386 5.315 ( 5.111 -3.286 -0.861) 6.137 5.377 ( 2.962 3.233 6.002) 7.433 5.408 ( 6.519 5.630 8.371) 12.011 5.510 ( 6.964 -7.067 9.384) 13.657 5.667 ( 1.083 -7.621 -3.526) 8.467 5.804 ( 10.669 0.096 5.372) 11.945 5.844 ( -0.282 1.440 11.360) 11.454 5.940 ( 0.461 -3.839 2.971) 4.876 5.979 ( 7.304 -4.314 -2.194) 8.762 6.057 ( 13.914 -4.096 1.012) 14.540 6.151 ( 11.568 -9.156 -4.113) 15.315 6.297 ( 3.105 -12.736 -3.937) 13.688 6.348 ( 12.555 -11.716 -4.340) 17.713 6.589 ( 8.285 -17.698 2.451) 19.694 6.624 ( 3.748 -12.158 11.553) 17.186 6.831 ( -8.969 9.738 -10.586) 16.951 7.048 ( -5.393 -8.260 3.073) 10.332 7.152 ( -2.104 4.792 -14.830) 15.727 7.237 ( 7.513 1.101 -1.529) 7.746 7.456 ( -4.197 -1.083 -4.089) 5.959 7.523 ( 4.666 -5.679 -9.226) 11.795 7.853 ( 6.020 0.700 8.497) 10.437 7.888 ( 4.869 -3.758 11.599) 13.129 8.159 ( 1.050 7.970 -9.787) 12.666 8.241 ( -3.323 3.150 -9.474) 10.523 8.375 ( -2.322 -1.998 11.783) 12.174 8.425 ( -0.691 -1.663 10.482) 10.636 8.623 ( -1.803 6.711 -2.481) 7.379 8.744 ( -6.282 -6.000 -13.887) 16.380 9.039 ( -4.719 8.820 12.102) 15.701 9.150 ( 0.316 0.928 5.382) 5.471 9.184 ( 4.732 -1.901 6.573) 8.320 9.205 ( 0.235 -0.331 3.231) 3.257 9.303 ( -0.450 6.234 -0.032) 6.250 9.359 ( -0.033 2.954 0.486) 2.994 9.453 ( 1.085 -4.228 -6.481) 7.814 9.469 ( -1.181 -3.608 -4.022) 5.531 9.712 ( -2.650 3.792 6.038) 7.606 9.855 ( 0.005 -8.094 1.735) 8.278 9.895 ( -0.730 1.597 -7.342) 7.549 9.970 ( -0.832 -4.879 -5.017) 7.047 10.209 ( 0.473 3.807 0.416) 3.858 10.250 ( 0.486 3.044 0.835) 3.194 10.347 ( -1.703 -0.965 -3.185) 3.738 10.422 ( -2.074 -4.707 -5.871) 7.805 10.628 ( -1.538 8.016 6.059) 10.165 10.735 ( -2.804 -2.420 8.053) 8.864 10.777 ( -5.956 11.542 -7.155) 14.828 10.900 ( -6.900 -0.046 -6.905) 9.762 11.037 ( -4.382 11.742 3.227) 12.942 11.126 ( -6.619 11.137 -4.888) 13.847 11.245 ( -9.921 -6.872 1.794) 12.201 11.275 ( -13.699 -0.467 3.781) 14.219 11.300 ( -6.414 1.671 2.090) 6.950 11.337 ( -11.943 3.085 1.922) 12.484 11.474 ( -6.879 -8.574 2.464) 11.265 11.504 ( -8.080 -9.281 -0.750) 12.328 11.703 ( -8.660 8.771 -1.818) 12.459 11.713 ( -7.129 7.033 -2.481) 10.317 11.836 ( -4.872 -6.647 1.341) 8.350 11.886 ( -9.334 -8.960 -2.332) 13.147 12.948 ( 9.210 11.220 13.929) 20.118 13.093 ( 11.834 -1.265 15.349) 19.422 13.165 ( 15.907 2.677 10.949) 19.495 13.198 ( -3.417 -4.833 17.232) 18.220 13.388 ( 6.924 8.964 -12.143) 16.605 13.533 ( 13.655 -3.892 -16.503) 21.771 13.703 ( 10.035 0.987 -25.241) 27.181 13.740 ( -4.510 -1.867 -27.795) 28.220 15.094 ( -2.372 -3.949 30.361) 30.709 15.146 ( -9.693 -9.447 28.186) 31.267 15.669 ( -13.172 0.779 -23.028) 26.540 15.744 ( -5.898 -7.705 -25.834) 27.596 16.337 ( -23.981 10.859 8.580) 27.688 16.459 ( -21.855 13.728 -2.639) 25.943 16.596 ( -13.921 -16.547 9.808) 23.744 16.755 ( -16.026 -17.651 -4.829) 24.325 17.764 ( 6.843 1.377 0.049) 6.980 17.791 ( 4.866 2.501 -2.102) 5.861 17.817 ( 4.183 -3.439 0.310) 5.424 17.840 ( 4.992 -2.692 -1.224) 5.802 17.984 ( 4.562 5.219 7.668) 10.337 18.058 ( 3.770 -2.359 8.357) 9.467 18.190 ( 3.142 4.493 -8.364) 10.001 18.243 ( 1.803 -1.181 -5.090) 5.527 18.420 ( 1.666 7.031 6.745) 9.884 18.516 ( 3.158 -4.047 6.650) 8.401 18.595 ( 4.245 4.296 -4.654) 7.624 18.659 ( 3.909 -2.452 -3.507) 5.796 18.889 ( 7.102 3.393 5.662) 9.696 18.922 ( 5.733 0.307 5.276) 7.798 19.016 ( 6.999 3.895 -4.813) 9.345 19.048 ( 7.081 0.506 -5.023) 8.696 24.361 ( -0.856 0.647 1.487) 1.834 24.370 ( -0.834 -0.246 1.389) 1.639 24.395 ( -1.343 0.732 -1.366) 2.050 24.403 ( -1.358 -0.142 -1.561) 2.073 24.490 ( -2.541 1.708 0.339) 3.081 24.495 ( -1.766 1.762 -0.080) 2.496 24.514 ( -2.378 -0.915 0.163) 2.553 24.518 ( -1.222 -0.835 -0.135) 1.486 24.746 ( 3.353 0.910 0.901) 3.589 24.756 ( 3.485 0.064 0.547) 3.528 24.772 ( 3.276 0.274 -0.850) 3.395 24.779 ( 2.910 -0.343 -0.861) 3.054 24.893 ( 1.538 0.388 2.031) 2.577 24.897 ( 2.008 -0.054 1.948) 2.798 24.940 ( -0.343 0.516 -2.018) 2.111 24.943 ( 0.195 0.222 -1.947) 1.969 25.714 ( 9.739 6.277 3.886) 12.221 25.833 ( 8.447 3.981 -5.682) 10.931 25.844 ( 8.452 -5.800 1.885) 10.423 25.944 ( 7.027 -5.997 -5.977) 11.003 26.215 ( 3.680 1.980 7.854) 8.896 26.253 ( 2.957 -1.786 6.420) 7.291 26.347 ( 0.035 2.305 -4.134) 4.733 26.384 ( 1.207 -1.459 -5.592) 5.904 26.503 ( -0.522 2.663 3.427) 4.371 26.564 ( -3.251 -2.969 2.340) 4.987 26.590 ( -2.082 1.251 -3.006) 3.864 26.645 ( -4.795 -3.756 -3.787) 7.172 26.808 ( -5.302 1.317 4.470) 7.059 26.853 ( -6.239 -3.435 5.109) 8.765 26.900 ( -5.765 2.872 -3.480) 7.321 26.957 ( -6.835 -3.242 -4.022) 8.568 ======================= Grid point 66 (29/30) ======================= q-point: ( 0.33 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 2.888 7.178 5.445) 9.461 1.618 ( 4.167 7.454 3.177) 9.111 1.654 ( -0.815 -4.265 7.776) 8.906 1.806 ( -1.679 -8.258 2.578) 8.812 2.094 ( -3.368 5.283 5.683) 8.459 2.185 ( -5.120 -4.581 5.997) 9.119 2.246 ( 5.493 8.959 -1.992) 10.696 2.286 ( -2.032 3.221 -7.796) 8.677 2.458 ( 5.590 4.807 0.883) 7.426 2.532 ( -1.388 4.072 -1.625) 4.599 2.605 ( 6.773 -2.022 2.716) 7.572 2.640 ( 5.302 -0.511 1.473) 5.527 2.648 ( -0.456 0.943 5.467) 5.566 2.713 ( 2.546 5.777 -2.093) 6.651 2.747 ( 3.219 1.101 -3.539) 4.909 2.781 ( -0.170 2.434 -2.281) 3.340 2.860 ( -0.755 6.833 -1.143) 6.969 2.892 ( 1.081 1.673 -1.029) 2.242 2.945 ( 0.453 3.969 -3.755) 5.483 2.991 ( -3.286 4.564 -1.307) 5.773 3.019 ( -0.745 7.578 -0.854) 7.662 3.062 ( -3.259 0.367 -1.046) 3.442 3.140 ( -3.656 -0.257 -0.198) 3.671 3.166 ( -4.002 1.946 -0.281) 4.459 3.193 ( -4.201 -0.042 3.661) 5.572 3.232 ( -1.660 -5.469 3.322) 6.611 3.263 ( -1.789 4.341 1.294) 4.870 3.333 ( -0.527 -5.195 -2.363) 5.731 3.396 ( -5.437 3.471 2.076) 6.776 3.429 ( 1.557 0.122 -1.511) 2.173 3.476 ( -5.550 -4.175 -3.338) 7.705 3.484 ( 1.656 0.686 -5.402) 5.692 3.552 ( 2.710 5.253 0.847) 5.971 3.614 ( 1.216 9.249 -2.662) 9.701 3.717 ( -1.055 -2.348 0.809) 2.698 3.737 ( -2.629 -0.059 -0.402) 2.661 3.777 ( -4.392 0.571 0.910) 4.521 3.821 ( -1.235 -3.954 -0.202) 4.147 3.857 ( 2.588 1.595 -0.297) 3.055 3.922 ( 0.863 -4.741 -1.622) 5.085 4.008 ( 2.345 3.241 3.848) 5.551 4.057 ( 4.351 1.498 0.038) 4.601 4.097 ( 5.669 1.943 1.708) 6.231 4.132 ( 3.354 -4.016 -1.476) 5.436 4.214 ( 7.233 5.639 -1.868) 9.360 4.277 ( 4.738 4.433 0.306) 6.496 4.309 ( 0.355 3.605 -3.532) 5.059 4.316 ( 0.301 0.046 -2.321) 2.340 4.342 ( 1.677 2.017 -4.730) 5.408 4.375 ( 4.675 2.047 -3.401) 6.133 4.403 ( 1.464 -1.922 2.274) 3.318 4.486 ( 2.150 -0.984 -1.868) 3.013 4.504 ( 2.578 3.076 -4.207) 5.815 4.526 ( -0.562 -4.619 -8.010) 9.263 4.562 ( -0.248 3.541 -5.779) 6.782 4.592 ( 0.345 1.038 -7.030) 7.115 4.782 ( 4.819 11.834 4.679) 13.608 4.841 ( -0.075 4.533 1.652) 4.825 4.901 ( 2.044 7.079 1.516) 7.523 4.922 ( -1.686 -0.196 6.860) 7.066 4.966 ( 4.948 -1.243 4.355) 6.708 4.992 ( 3.272 -5.823 -0.102) 6.680 5.079 ( 4.543 -3.995 0.307) 6.058 5.138 ( 6.429 -10.360 0.620) 12.208 5.245 ( 8.731 6.021 7.497) 12.988 5.360 ( 4.422 6.792 4.639) 9.339 5.411 ( 8.402 -5.787 6.903) 12.318 5.454 ( 9.451 9.774 -4.741) 14.398 5.476 ( 1.853 1.318 4.637) 5.165 5.591 ( 12.910 2.678 0.615) 13.199 5.645 ( 5.236 -17.654 5.065) 19.098 5.671 ( 2.022 -8.764 -2.146) 9.247 5.892 ( -1.015 -1.410 11.338) 11.470 5.905 ( 11.515 -4.696 4.700) 13.294 6.107 ( 18.183 -3.327 13.035) 22.618 6.206 ( 5.265 -5.602 -3.473) 8.436 6.278 ( -1.012 2.215 -13.658) 13.873 6.375 ( 14.420 -12.700 0.350) 19.218 6.444 ( 10.707 -4.148 1.183) 11.544 6.581 ( 13.241 -4.758 -1.707) 14.174 6.750 ( 9.677 -8.268 -2.334) 12.941 6.805 ( 10.542 1.582 -9.077) 14.001 6.937 ( 17.765 -11.587 -4.806) 21.747 7.028 ( 9.655 -8.043 -10.287) 16.240 7.210 ( 11.706 9.809 -2.342) 15.451 7.330 ( 0.596 14.505 -8.982) 17.071 7.464 ( 7.519 -12.350 6.414) 15.818 7.667 ( 7.462 -18.662 -10.571) 22.709 7.931 ( -9.199 5.548 17.878) 20.857 8.013 ( 4.104 0.419 8.114) 9.102 8.150 ( 10.382 3.698 1.697) 11.150 8.251 ( -3.774 2.142 -6.378) 7.714 8.334 ( -5.107 -3.919 12.414) 13.984 8.406 ( 2.908 -2.778 3.034) 5.038 8.557 ( 2.224 4.183 -6.342) 7.916 8.618 ( -4.521 -0.704 -9.099) 10.184 8.857 ( -7.015 8.939 5.459) 12.606 9.014 ( -14.168 10.630 -7.678) 19.305 9.044 ( -11.408 -9.494 7.936) 16.830 9.198 ( -9.785 -7.679 -4.823) 13.341 9.312 ( 2.513 2.529 8.508) 9.225 9.389 ( 2.147 -4.604 6.372) 8.150 9.458 ( 0.554 0.478 -2.140) 2.261 9.499 ( -1.915 -2.743 -2.879) 4.414 9.746 ( 6.103 5.713 4.563) 9.524 9.811 ( -2.515 0.447 -1.008) 2.746 9.935 ( 0.067 -1.629 -2.389) 2.892 9.981 ( 2.567 -5.068 -7.510) 9.416 10.209 ( -3.136 6.670 -1.423) 7.507 10.223 ( -0.215 6.931 -3.004) 7.557 10.311 ( -2.148 -3.428 -0.017) 4.045 10.374 ( -2.813 -5.611 -5.547) 8.376 10.531 ( -8.457 14.554 2.089) 16.962 10.576 ( -12.366 12.213 -1.306) 17.429 10.647 ( -6.614 1.737 6.971) 9.765 10.779 ( -6.275 -5.116 -5.155) 9.598 10.928 ( -10.844 7.220 3.724) 13.549 10.992 ( -6.531 6.540 -1.612) 9.382 11.016 ( -4.231 -0.450 2.988) 5.199 11.046 ( -7.644 3.302 0.100) 8.327 11.172 ( -4.752 1.330 1.431) 5.138 11.190 ( 0.458 5.234 -0.375) 5.267 11.346 ( -5.735 -12.704 0.467) 13.946 11.363 ( -5.047 -11.540 -0.555) 12.607 11.539 ( -7.053 5.469 -0.075) 8.925 11.568 ( -7.079 5.188 -2.053) 9.013 11.689 ( -9.059 -9.174 -0.160) 12.894 11.708 ( -7.785 -8.474 -1.614) 11.620 13.029 ( -0.357 18.257 17.756) 25.470 13.087 ( -4.326 17.587 17.556) 25.223 13.322 ( 9.206 -13.086 16.273) 22.821 13.409 ( 5.832 0.470 1.674) 6.086 13.498 ( 3.952 0.266 -3.646) 5.383 13.570 ( -7.763 15.303 -23.940) 29.455 13.760 ( 8.338 -11.999 -18.516) 23.586 13.883 ( 4.621 -16.745 -23.778) 29.447 15.064 ( 5.292 6.034 22.736) 24.111 15.272 ( 15.125 -15.500 23.668) 32.081 15.478 ( -4.275 13.020 -15.617) 20.778 15.755 ( 4.791 -14.410 -19.041) 24.355 15.928 ( -15.876 19.237 6.357) 25.740 16.054 ( -17.301 17.157 -4.954) 24.864 16.375 ( -8.981 -27.372 5.608) 29.349 16.436 ( -16.021 -22.738 -0.389) 27.818 17.895 ( 5.409 2.222 1.364) 6.005 17.908 ( 5.137 1.199 2.367) 5.782 17.936 ( 7.216 -0.503 -1.548) 7.397 17.955 ( 5.048 -0.808 0.661) 5.155 18.048 ( 2.973 4.184 1.797) 5.438 18.111 ( 2.170 -1.749 3.647) 4.590 18.196 ( -1.629 3.465 -7.900) 8.779 18.229 ( -2.284 0.077 -5.084) 5.574 18.483 ( 4.884 6.532 9.382) 12.432 18.579 ( 3.999 -3.865 5.615) 7.903 18.671 ( 3.098 4.326 -4.093) 6.713 18.730 ( 2.811 -1.894 -5.407) 6.382 18.957 ( -0.443 2.228 4.790) 5.301 18.969 ( -1.170 1.069 5.140) 5.379 19.068 ( -1.753 2.941 -3.524) 4.914 19.101 ( -1.823 -0.288 -4.893) 5.229 24.351 ( -0.064 0.679 0.878) 1.112 24.360 ( -0.028 -0.245 0.794) 0.832 24.373 ( -0.746 0.738 -0.958) 1.421 24.381 ( -0.702 -0.142 -1.092) 1.306 24.436 ( -2.544 1.474 0.563) 2.994 24.446 ( -2.660 1.822 -0.322) 3.240 24.458 ( -2.803 -0.899 0.704) 3.027 24.472 ( -2.880 -1.007 -0.475) 3.087 24.814 ( 3.110 0.782 0.771) 3.298 24.826 ( 3.047 -0.209 0.426) 3.084 24.837 ( 2.750 0.236 -0.969) 2.925 24.842 ( 2.797 -0.081 -0.774) 2.904 24.908 ( 0.091 0.665 0.875) 1.103 24.918 ( 0.200 -0.355 0.840) 0.934 24.926 ( -0.935 0.664 -0.635) 1.311 24.935 ( -0.858 -0.196 -0.529) 1.026 25.923 ( 10.250 4.991 2.932) 11.772 26.014 ( 8.894 4.036 -5.124) 11.029 26.023 ( 8.581 -5.361 2.171) 10.349 26.094 ( 7.316 -4.208 -4.167) 9.412 26.286 ( 2.557 1.582 3.484) 4.602 26.314 ( 1.999 -0.429 3.132) 3.740 26.335 ( -1.086 0.857 0.113) 1.389 26.380 ( -2.354 -2.928 -1.444) 4.025 26.514 ( 1.040 0.404 0.810) 1.379 26.529 ( 0.356 -1.192 1.140) 1.687 26.550 ( -1.538 1.131 -2.377) 3.049 26.576 ( -0.412 -1.444 -2.818) 3.193 26.704 ( -4.769 0.783 4.078) 6.324 26.735 ( -5.183 -2.329 4.268) 7.107 26.787 ( -5.152 1.571 -3.020) 6.175 26.825 ( -6.062 -2.318 -3.396) 7.325 ======================= Grid point 67 (30/30) ======================= q-point: ( 0.44 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 7.970 -0.155 0.850) 8.017 1.654 ( 1.872 1.929 0.464) 2.728 1.685 ( 0.107 -1.515 3.726) 4.023 1.770 ( -3.902 -5.326 -0.586) 6.629 2.035 ( 0.096 2.101 -1.231) 2.437 2.100 ( -0.127 -3.424 -7.524) 8.268 2.175 ( -6.980 -1.214 -13.091) 14.885 2.218 ( -6.791 -4.846 -11.611) 14.298 2.463 ( 3.949 11.587 11.530) 16.816 2.558 ( -3.620 5.467 8.998) 11.134 2.592 ( 0.851 3.311 3.312) 4.760 2.642 ( -2.287 -3.442 6.483) 7.688 2.722 ( -1.518 5.875 -0.132) 6.069 2.743 ( -2.383 4.381 2.906) 5.772 2.774 ( 2.105 1.888 -0.115) 2.830 2.797 ( 0.979 -0.609 -1.148) 1.627 2.870 ( 0.023 11.313 -1.434) 11.404 2.901 ( -0.223 12.268 -1.750) 12.394 2.906 ( 1.189 11.024 -3.599) 11.657 2.935 ( -2.243 10.170 -2.578) 10.729 3.012 ( 2.792 3.955 2.451) 5.426 3.050 ( -0.444 -0.622 0.175) 0.784 3.094 ( -1.815 -0.935 -2.174) 2.982 3.106 ( -2.744 -1.151 -1.724) 3.440 3.177 ( 1.632 1.584 4.802) 5.313 3.200 ( -0.122 1.566 4.633) 4.892 3.242 ( 1.386 1.917 1.629) 2.872 3.273 ( -1.749 1.338 1.324) 2.570 3.320 ( -2.580 -5.518 7.449) 9.623 3.354 ( -4.517 -5.253 -0.156) 6.930 3.418 ( -1.479 -8.633 -0.138) 8.760 3.450 ( -3.936 -10.867 -1.690) 11.681 3.635 ( 5.071 8.131 -0.823) 9.618 3.679 ( 0.554 4.520 -1.606) 4.828 3.692 ( 1.000 9.363 -1.586) 9.549 3.749 ( -3.741 6.253 -3.604) 8.129 3.763 ( 4.492 1.057 0.369) 4.630 3.800 ( 2.605 -5.047 -0.263) 5.685 3.860 ( -1.769 -4.217 -3.416) 5.708 3.897 ( -3.198 -5.922 -2.175) 7.073 4.080 ( 6.628 5.043 7.412) 11.149 4.145 ( 2.233 2.649 6.358) 7.241 4.165 ( 0.465 1.562 1.722) 2.371 4.181 ( 0.641 -1.749 3.646) 4.095 4.282 ( 0.719 4.043 2.087) 4.606 4.303 ( -0.834 4.591 0.626) 4.708 4.346 ( 0.958 0.203 -0.676) 1.190 4.361 ( 3.145 4.368 0.499) 5.406 4.370 ( 0.210 -1.140 0.274) 1.191 4.419 ( 0.324 0.708 -0.521) 0.937 4.449 ( -0.158 -0.073 -1.904) 1.912 4.506 ( -2.566 -1.992 -3.510) 4.782 4.537 ( 4.762 2.651 -3.065) 6.253 4.558 ( 2.189 4.569 -6.273) 8.064 4.593 ( 1.981 2.203 -5.997) 6.689 4.595 ( 0.157 2.293 -7.121) 7.482 4.800 ( -0.639 8.362 3.158) 8.961 4.808 ( -1.338 7.231 7.003) 10.155 4.917 ( 1.818 6.365 -2.906) 7.229 4.952 ( -1.344 4.130 -3.158) 5.370 5.039 ( 5.480 -4.513 2.231) 7.441 5.081 ( 4.986 -8.112 3.072) 10.005 5.126 ( -1.390 -9.881 8.036) 12.812 5.189 ( -2.586 -6.510 4.252) 8.194 5.336 ( 4.427 -0.633 3.641) 5.767 5.368 ( 0.670 4.636 3.007) 5.566 5.455 ( 0.473 3.225 -2.194) 3.929 5.489 ( -2.997 6.796 -5.531) 9.261 5.544 ( 0.563 -13.316 -5.264) 14.330 5.592 ( -6.837 -15.203 5.755) 17.635 5.653 ( 1.574 -14.779 -9.895) 17.855 5.778 ( -1.485 -10.676 -7.413) 13.082 6.048 ( 11.459 10.947 0.385) 15.852 6.119 ( 5.185 3.151 -4.569) 7.595 6.204 ( 0.474 7.398 -1.778) 7.624 6.261 ( -1.230 1.982 -7.455) 7.812 6.523 ( 13.619 -7.938 8.173) 17.756 6.592 ( 5.488 -14.350 5.979) 16.486 6.606 ( 6.945 -8.433 -3.473) 11.464 6.725 ( -0.309 -16.663 -3.749) 17.082 7.045 ( 18.552 0.959 6.204) 19.585 7.181 ( 17.174 -0.167 1.755) 17.264 7.259 ( 11.766 3.658 1.033) 12.365 7.266 ( 16.337 -1.110 -6.279) 17.537 7.446 ( 1.105 8.173 5.416) 9.867 7.513 ( -4.595 4.952 4.650) 8.201 7.584 ( 6.419 0.381 -6.263) 8.976 7.602 ( -5.193 -1.325 -2.159) 5.778 7.847 ( -3.205 -4.444 17.596) 18.429 7.996 ( -10.490 14.195 12.572) 21.670 8.044 ( 12.506 -20.155 6.384) 24.564 8.233 ( -5.605 -4.531 -8.293) 10.987 8.364 ( 4.965 0.398 -3.254) 5.950 8.467 ( -2.537 0.541 -8.893) 9.263 8.504 ( -9.634 -4.035 -2.470) 10.733 8.693 ( -3.453 -6.231 -8.187) 10.852 8.903 ( 7.750 0.011 0.669) 7.779 8.919 ( 9.707 0.103 -1.294) 9.793 8.948 ( 12.286 -0.236 -2.293) 12.500 9.002 ( 7.377 -4.297 -3.735) 9.318 9.214 ( -14.464 3.587 2.269) 15.073 9.245 ( -13.319 3.149 0.616) 13.700 9.324 ( -15.427 -7.303 1.284) 17.117 9.358 ( -14.300 -7.127 -0.781) 15.997 9.844 ( 6.369 9.260 4.601) 12.144 9.902 ( 1.714 9.618 1.169) 9.839 9.928 ( 7.283 1.031 4.106) 8.424 10.000 ( -1.521 2.054 -1.936) 3.206 10.158 ( -0.682 2.963 -1.389) 3.342 10.165 ( -5.779 6.666 -1.588) 8.964 10.225 ( -5.587 -2.810 0.420) 6.268 10.272 ( -9.056 -1.333 -1.436) 9.265 10.411 ( 0.594 14.341 4.767) 15.124 10.447 ( -0.509 10.408 2.867) 10.808 10.543 ( -0.265 2.504 -1.623) 2.995 10.618 ( -5.761 -1.687 -3.854) 7.134 10.824 ( -0.782 3.791 2.019) 4.366 10.877 ( -6.078 2.750 1.124) 6.765 10.934 ( -2.065 0.246 -5.761) 6.125 10.935 ( -3.502 -5.666 -4.883) 8.259 11.178 ( 3.854 2.766 4.989) 6.884 11.257 ( 2.595 1.083 -0.948) 2.968 11.262 ( -2.259 -3.140 1.823) 4.276 11.310 ( -1.445 -6.116 -1.464) 6.452 11.440 ( -0.817 -1.655 0.512) 1.915 11.455 ( -2.437 -0.882 -0.465) 2.633 11.528 ( -5.977 -7.982 -0.540) 9.986 11.549 ( -7.110 -8.379 -2.246) 11.216 13.004 ( -0.248 24.545 18.026) 30.454 13.028 ( -2.183 26.311 17.429) 31.636 13.424 ( 0.190 12.282 -9.916) 15.786 13.436 ( -1.476 11.524 -11.109) 16.075 13.504 ( 3.265 -9.116 3.552) 10.314 13.551 ( -0.063 -21.466 9.978) 23.672 13.874 ( 3.338 -22.169 -17.170) 28.238 13.914 ( -0.682 -25.081 -18.129) 30.955 15.300 ( 15.684 17.577 10.563) 25.817 15.487 ( 4.406 24.150 -6.128) 25.302 15.587 ( 1.659 7.699 6.901) 10.472 15.656 ( -14.804 18.215 -0.414) 23.476 15.717 ( 7.151 0.677 9.731) 12.095 15.986 ( 9.497 -24.726 -11.675) 28.947 16.080 ( -18.770 -22.538 6.658) 30.077 16.193 ( -9.637 -29.895 -2.653) 31.521 17.972 ( 2.371 5.278 2.945) 6.492 17.998 ( 0.670 4.731 1.902) 5.143 18.007 ( 3.028 2.826 0.881) 4.234 18.038 ( 1.799 0.345 -1.825) 2.585 18.128 ( 3.695 -0.686 -2.739) 4.651 18.148 ( 0.934 -2.937 -0.394) 3.107 18.158 ( -1.247 1.148 -4.877) 5.163 18.183 ( -1.998 -1.513 -2.832) 3.782 18.624 ( 8.213 5.802 6.448) 11.945 18.682 ( 5.802 0.493 2.469) 6.325 18.724 ( 0.591 3.327 2.764) 4.365 18.776 ( 0.096 -1.587 -1.309) 2.059 18.905 ( -2.294 2.026 1.422) 3.374 18.917 ( -0.672 0.736 -0.109) 1.003 18.974 ( -6.153 1.536 -1.718) 6.570 19.004 ( -6.502 -1.423 -3.806) 7.667 24.361 ( 1.016 0.855 0.331) 1.368 24.368 ( 0.379 0.893 -0.299) 1.015 24.372 ( 1.184 -0.295 0.228) 1.241 24.378 ( 0.297 0.062 -0.356) 0.468 24.393 ( -1.395 0.750 0.180) 1.594 24.396 ( -1.993 1.194 -0.106) 2.325 24.408 ( -1.957 -0.674 0.269) 2.087 24.414 ( -2.515 -0.712 -0.239) 2.624 24.867 ( 2.059 0.686 0.483) 2.223 24.877 ( 1.956 -0.057 0.177) 1.965 24.880 ( 1.483 0.323 -0.386) 1.566 24.887 ( 1.530 -0.088 -0.497) 1.611 24.900 ( -0.978 0.634 0.224) 1.187 24.904 ( -0.998 0.567 -0.095) 1.152 24.910 ( -1.082 -0.370 0.158) 1.155 24.913 ( -1.059 -0.312 -0.047) 1.105 26.117 ( 8.446 3.107 2.165) 9.256 26.178 ( 6.431 -3.079 1.380) 7.262 26.184 ( 7.401 2.135 -3.562) 8.487 26.227 ( 4.899 -1.947 -2.676) 5.912 26.263 ( -4.458 0.992 1.402) 4.777 26.287 ( -3.967 -0.923 0.943) 4.181 26.301 ( -2.828 0.234 -0.910) 2.980 26.323 ( -3.580 -1.675 -1.563) 4.250 26.526 ( 2.683 2.127 3.354) 4.793 26.570 ( 2.694 -2.491 1.951) 4.156 26.585 ( 1.152 0.577 0.951) 1.601 26.607 ( 1.368 -1.223 -0.259) 1.853 26.623 ( -0.619 0.428 0.638) 0.986 26.647 ( -2.535 -1.851 1.637) 3.540 26.689 ( -4.559 0.748 -2.768) 5.386 26.711 ( -5.033 -1.530 -2.734) 5.929 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/25920 10.0 82.245 97.365 34.724 0.000 0.000 -0.000 3/25920 20.0 13.030 10.689 10.736 0.000 0.000 -0.000 3/25920 30.0 5.727 4.564 5.236 0.000 0.000 -0.000 3/25920 40.0 3.633 2.907 3.367 0.000 0.000 -0.000 3/25920 50.0 2.702 2.189 2.496 0.000 0.000 -0.000 3/25920 60.0 2.194 1.802 2.010 0.000 0.000 -0.000 3/25920 70.0 1.881 1.565 1.707 0.000 0.000 -0.000 3/25920 80.0 1.673 1.407 1.501 0.000 0.000 -0.000 3/25920 90.0 1.527 1.296 1.354 0.000 0.000 -0.000 3/25920 100.0 1.420 1.214 1.245 0.000 0.000 -0.000 3/25920 110.0 1.338 1.151 1.162 0.000 0.000 -0.000 3/25920 120.0 1.275 1.101 1.095 0.000 0.000 -0.000 3/25920 130.0 1.224 1.060 1.042 0.000 0.000 -0.000 3/25920 140.0 1.181 1.025 0.997 0.000 0.000 -0.000 3/25920 150.0 1.144 0.995 0.958 0.000 0.000 -0.000 3/25920 160.0 1.111 0.967 0.924 0.000 0.000 -0.000 3/25920 170.0 1.081 0.942 0.894 0.000 0.000 -0.000 3/25920 180.0 1.054 0.918 0.866 0.000 0.000 -0.000 3/25920 190.0 1.028 0.895 0.840 0.000 0.000 -0.000 3/25920 200.0 1.004 0.873 0.817 0.000 0.000 -0.000 3/25920 210.0 0.981 0.853 0.794 0.000 0.000 -0.000 3/25920 220.0 0.958 0.833 0.773 0.000 0.000 -0.000 3/25920 230.0 0.937 0.813 0.753 0.000 0.000 -0.000 3/25920 240.0 0.916 0.794 0.734 0.000 0.000 -0.000 3/25920 250.0 0.896 0.776 0.715 0.000 0.000 -0.000 3/25920 260.0 0.876 0.758 0.698 0.000 0.000 -0.000 3/25920 270.0 0.857 0.741 0.681 0.000 0.000 -0.000 3/25920 280.0 0.839 0.725 0.665 0.000 0.000 -0.000 3/25920 290.0 0.821 0.708 0.649 0.000 0.000 -0.000 3/25920 300.0 0.804 0.693 0.634 0.000 0.000 -0.000 3/25920 310.0 0.787 0.678 0.620 0.000 0.000 -0.000 3/25920 320.0 0.771 0.663 0.606 0.000 0.000 -0.000 3/25920 330.0 0.756 0.649 0.593 0.000 0.000 -0.000 3/25920 340.0 0.740 0.636 0.580 0.000 0.000 -0.000 3/25920 350.0 0.726 0.622 0.568 0.000 0.000 -0.000 3/25920 360.0 0.711 0.610 0.556 0.000 0.000 -0.000 3/25920 370.0 0.698 0.597 0.544 0.000 0.000 -0.000 3/25920 380.0 0.684 0.585 0.533 0.000 0.000 -0.000 3/25920 390.0 0.671 0.574 0.522 0.000 0.000 -0.000 3/25920 400.0 0.659 0.563 0.512 0.000 0.000 -0.000 3/25920 410.0 0.647 0.552 0.502 0.000 0.000 -0.000 3/25920 420.0 0.635 0.542 0.493 0.000 0.000 -0.000 3/25920 430.0 0.623 0.531 0.483 0.000 0.000 -0.000 3/25920 440.0 0.612 0.522 0.474 0.000 0.000 -0.000 3/25920 450.0 0.601 0.512 0.466 0.000 0.000 -0.000 3/25920 460.0 0.591 0.503 0.457 0.000 0.000 -0.000 3/25920 470.0 0.581 0.494 0.449 0.000 0.000 -0.000 3/25920 480.0 0.571 0.486 0.441 0.000 0.000 -0.000 3/25920 490.0 0.562 0.477 0.433 0.000 0.000 -0.000 3/25920 500.0 0.552 0.469 0.426 0.000 0.000 -0.000 3/25920 510.0 0.543 0.461 0.419 0.000 0.000 -0.000 3/25920 520.0 0.535 0.454 0.412 0.000 0.000 -0.000 3/25920 530.0 0.526 0.446 0.405 0.000 0.000 -0.000 3/25920 540.0 0.518 0.439 0.399 0.000 0.000 -0.000 3/25920 550.0 0.510 0.432 0.392 0.000 0.000 -0.000 3/25920 560.0 0.502 0.426 0.386 0.000 0.000 -0.000 3/25920 570.0 0.495 0.419 0.380 0.000 0.000 -0.000 3/25920 580.0 0.487 0.413 0.374 0.000 0.000 -0.000 3/25920 590.0 0.480 0.407 0.369 0.000 0.000 -0.000 3/25920 600.0 0.473 0.400 0.363 0.000 0.000 -0.000 3/25920 610.0 0.466 0.395 0.358 0.000 0.000 -0.000 3/25920 620.0 0.460 0.389 0.353 0.000 0.000 -0.000 3/25920 630.0 0.453 0.383 0.348 0.000 0.000 -0.000 3/25920 640.0 0.447 0.378 0.343 0.000 0.000 -0.000 3/25920 650.0 0.441 0.373 0.338 0.000 0.000 -0.000 3/25920 660.0 0.435 0.368 0.333 0.000 0.000 -0.000 3/25920 670.0 0.429 0.363 0.329 0.000 0.000 -0.000 3/25920 680.0 0.424 0.358 0.324 0.000 0.000 -0.000 3/25920 690.0 0.418 0.353 0.320 0.000 0.000 -0.000 3/25920 700.0 0.413 0.348 0.316 0.000 0.000 -0.000 3/25920 710.0 0.408 0.344 0.312 0.000 0.000 -0.000 3/25920 720.0 0.402 0.340 0.308 0.000 0.000 -0.000 3/25920 730.0 0.397 0.335 0.304 0.000 0.000 -0.000 3/25920 740.0 0.393 0.331 0.300 0.000 0.000 -0.000 3/25920 750.0 0.388 0.327 0.296 0.000 0.000 -0.000 3/25920 760.0 0.383 0.323 0.293 0.000 0.000 -0.000 3/25920 770.0 0.379 0.319 0.289 0.000 0.000 -0.000 3/25920 780.0 0.374 0.315 0.286 0.000 0.000 -0.000 3/25920 790.0 0.370 0.312 0.282 0.000 0.000 -0.000 3/25920 800.0 0.365 0.308 0.279 0.000 0.000 -0.000 3/25920 810.0 0.361 0.304 0.276 0.000 0.000 -0.000 3/25920 820.0 0.357 0.301 0.273 0.000 0.000 -0.000 3/25920 830.0 0.353 0.297 0.270 0.000 0.000 -0.000 3/25920 840.0 0.349 0.294 0.267 0.000 0.000 -0.000 3/25920 850.0 0.346 0.291 0.264 0.000 0.000 -0.000 3/25920 860.0 0.342 0.288 0.261 0.000 0.000 -0.000 3/25920 870.0 0.338 0.285 0.258 0.000 0.000 -0.000 3/25920 880.0 0.335 0.282 0.255 0.000 0.000 -0.000 3/25920 890.0 0.331 0.279 0.253 0.000 0.000 -0.000 3/25920 900.0 0.328 0.276 0.250 0.000 0.000 -0.000 3/25920 910.0 0.324 0.273 0.247 0.000 0.000 -0.000 3/25920 920.0 0.321 0.270 0.245 0.000 0.000 -0.000 3/25920 930.0 0.318 0.267 0.242 0.000 0.000 -0.000 3/25920 940.0 0.314 0.264 0.240 0.000 0.000 -0.000 3/25920 950.0 0.311 0.262 0.237 0.000 0.000 -0.000 3/25920 960.0 0.308 0.259 0.235 0.000 0.000 -0.000 3/25920 970.0 0.305 0.257 0.233 0.000 0.000 -0.000 3/25920 980.0 0.302 0.254 0.230 0.000 0.000 -0.000 3/25920 990.0 0.299 0.252 0.228 0.000 0.000 -0.000 3/25920 1000.0 0.297 0.249 0.226 0.000 0.000 -0.000 3/25920 Thermal conductivity related properties were written into "kappa-m953.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:12:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|