----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 14:19:19]------------------------- 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: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.322167050040605 0.000000000000000 0.000000000000000 b 0.000000000000000 8.184643179999998 0.000000000000000 c -5.246441461761409 0.000000000000000 12.755864484290189 Atomic positions (fractional): *1 Sr 0.99064427683285 0.33771983139698 0.27937754815531 87.620 2 Sr 0.00935572316715 0.83771983139698 0.22062245184469 87.620 3 Sr 0.00935572316715 0.66228016860302 0.72062245184469 87.620 4 Sr 0.99064427683285 0.16228016860302 0.77937754815531 87.620 *5 Zn 0.27422240773899 0.34925103893454 0.60501095059185 65.380 6 Zn 0.72577759226101 0.65074896106546 0.39498904940814 65.380 7 Zn 0.72577759226101 0.84925103893454 0.89498904940815 65.380 8 Zn 0.27422240773899 0.15074896106546 0.10501095059186 65.380 *9 P 0.58116242287904 0.03318028628331 0.33453941812115 30.974 10 P 0.41883757712096 0.96681971371669 0.66546058187885 30.974 *11 P 0.66176026149739 0.19873763487406 0.98046145515484 30.974 12 P 0.33823973850261 0.80126236512594 0.01953854484516 30.974 13 P 0.33823973850261 0.69873763487406 0.51953854484516 30.974 14 P 0.66176026149739 0.30126236512594 0.48046145515484 30.974 15 P 0.58116242287904 0.46681971371669 0.83453941812115 30.974 16 P 0.41883757712096 0.53318028628331 0.16546058187885 30.974 *17 O 0.27413058159304 0.59742750141255 0.60155667758428 15.999 *18 O 0.32195488202505 0.61204116134364 0.04975232146534 15.999 *19 O 0.31592777407179 0.11882270919431 0.26568269599549 15.999 *20 O 0.11418755599079 0.68386623849528 0.40998466501577 15.999 *21 O 0.48420151109833 0.35479536483684 0.15286867835855 15.999 *22 O 0.19106927236171 0.94279255126531 0.70479230938613 15.999 23 O 0.72586941840696 0.09742750141255 0.89844332241572 15.999 24 O 0.67804511797495 0.38795883865636 0.95024767853466 15.999 *25 O 0.62758193513143 0.66605185190159 0.52585283314562 15.999 26 O 0.11418755599079 0.81613376150472 0.90998466501577 15.999 27 O 0.62758193513143 0.83394814809841 0.02585283314562 15.999 28 O 0.51579848890167 0.64520463516316 0.84713132164145 15.999 29 O 0.80893072763829 0.05720744873469 0.29520769061387 15.999 30 O 0.31592777407179 0.38117729080569 0.76568269599549 15.999 31 O 0.72586941840696 0.40257249858745 0.39844332241572 15.999 32 O 0.32195488202505 0.88795883865636 0.54975232146534 15.999 33 O 0.68407222592821 0.61882270919431 0.23431730400451 15.999 34 O 0.88581244400921 0.31613376150472 0.59001533498423 15.999 35 O 0.88581244400921 0.18386623849528 0.09001533498423 15.999 36 O 0.51579848890167 0.85479536483684 0.34713132164145 15.999 37 O 0.68407222592821 0.88117729080569 0.73431730400451 15.999 38 O 0.48420151109833 0.14520463516316 0.65286867835855 15.999 39 O 0.27413058159304 0.90257249858745 0.10155667758428 15.999 40 O 0.67804511797495 0.11204116134364 0.45024767853466 15.999 41 O 0.37241806486857 0.33394814809841 0.47414716685438 15.999 42 O 0.80893072763829 0.44279255126531 0.79520769061387 15.999 43 O 0.19106927236171 0.55720744873469 0.20479230938613 15.999 44 O 0.37241806486857 0.16605185190159 0.97414716685438 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.322167050040605 0.000000000000000 0.000000000000000 b 0.000000000000000 8.184643179999998 0.000000000000000 c -5.246441461761409 0.000000000000000 12.755864484290189 Atomic positions (fractional): *1 Sr 0.99064427683285 0.33771983139698 0.27937754815531 87.620 > 1 2 Sr 0.00935572316715 0.83771983139698 0.22062245184469 87.620 > 2 3 Sr 0.00935572316715 0.66228016860302 0.72062245184469 87.620 > 3 4 Sr 0.99064427683285 0.16228016860302 0.77937754815531 87.620 > 4 *5 Zn 0.27422240773899 0.34925103893454 0.60501095059185 65.380 > 5 6 Zn 0.72577759226101 0.65074896106546 0.39498904940814 65.380 > 6 7 Zn 0.72577759226101 0.84925103893454 0.89498904940815 65.380 > 7 8 Zn 0.27422240773899 0.15074896106546 0.10501095059186 65.380 > 8 *9 P 0.58116242287904 0.03318028628331 0.33453941812115 30.974 > 9 10 P 0.41883757712096 0.96681971371669 0.66546058187885 30.974 > 10 *11 P 0.66176026149739 0.19873763487406 0.98046145515484 30.974 > 11 12 P 0.33823973850261 0.80126236512594 0.01953854484516 30.974 > 12 13 P 0.33823973850261 0.69873763487406 0.51953854484516 30.974 > 13 14 P 0.66176026149739 0.30126236512594 0.48046145515484 30.974 > 14 15 P 0.58116242287904 0.46681971371669 0.83453941812115 30.974 > 15 16 P 0.41883757712096 0.53318028628331 0.16546058187885 30.974 > 16 *17 O 0.27413058159304 0.59742750141255 0.60155667758428 15.999 > 17 *18 O 0.32195488202505 0.61204116134364 0.04975232146534 15.999 > 18 *19 O 0.31592777407179 0.11882270919431 0.26568269599549 15.999 > 19 *20 O 0.11418755599079 0.68386623849528 0.40998466501577 15.999 > 20 *21 O 0.48420151109833 0.35479536483684 0.15286867835855 15.999 > 21 *22 O 0.19106927236171 0.94279255126531 0.70479230938613 15.999 > 22 23 O 0.72586941840696 0.09742750141255 0.89844332241572 15.999 > 23 24 O 0.67804511797495 0.38795883865636 0.95024767853466 15.999 > 24 *25 O 0.62758193513143 0.66605185190159 0.52585283314562 15.999 > 25 26 O 0.11418755599079 0.81613376150472 0.90998466501577 15.999 > 26 27 O 0.62758193513143 0.83394814809841 0.02585283314562 15.999 > 27 28 O 0.51579848890167 0.64520463516316 0.84713132164145 15.999 > 28 29 O 0.80893072763829 0.05720744873469 0.29520769061387 15.999 > 29 30 O 0.31592777407179 0.38117729080569 0.76568269599549 15.999 > 30 31 O 0.72586941840696 0.40257249858745 0.39844332241572 15.999 > 31 32 O 0.32195488202505 0.88795883865636 0.54975232146534 15.999 > 32 33 O 0.68407222592821 0.61882270919431 0.23431730400451 15.999 > 33 34 O 0.88581244400921 0.31613376150472 0.59001533498423 15.999 > 34 35 O 0.88581244400921 0.18386623849528 0.09001533498423 15.999 > 35 36 O 0.51579848890167 0.85479536483684 0.34713132164145 15.999 > 36 37 O 0.68407222592821 0.88117729080569 0.73431730400451 15.999 > 37 38 O 0.48420151109833 0.14520463516316 0.65286867835855 15.999 > 38 39 O 0.27413058159304 0.90257249858745 0.10155667758428 15.999 > 39 40 O 0.67804511797495 0.11204116134364 0.45024767853466 15.999 > 40 41 O 0.37241806486857 0.33394814809841 0.47414716685438 15.999 > 41 42 O 0.80893072763829 0.44279255126531 0.79520769061387 15.999 > 42 43 O 0.19106927236171 0.55720744873469 0.20479230938613 15.999 > 43 44 O 0.37241806486857 0.16605185190159 0.97414716685438 15.999 > 44 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.644334100081210 0.000000000000000 0.000000000000000 b 0.000000000000000 8.184643179999998 0.000000000000000 c -5.246441461761409 0.000000000000000 12.755864484290189 Atomic positions (fractional): *1 Sr 0.49532213841643 0.33771983139698 0.27937754815531 87.620 > 1 2 Sr 0.99532213841643 0.33771983139698 0.27937754815531 87.620 > 1 3 Sr 0.00467786158357 0.83771983139698 0.22062245184469 87.620 > 2 4 Sr 0.50467786158357 0.83771983139698 0.22062245184469 87.620 > 2 5 Sr 0.00467786158357 0.66228016860302 0.72062245184469 87.620 > 3 6 Sr 0.50467786158357 0.66228016860302 0.72062245184469 87.620 > 3 7 Sr 0.49532213841643 0.16228016860302 0.77937754815531 87.620 > 4 8 Sr 0.99532213841643 0.16228016860302 0.77937754815531 87.620 > 4 *9 Zn 0.13711120386950 0.34925103893454 0.60501095059185 65.380 > 5 10 Zn 0.63711120386950 0.34925103893454 0.60501095059185 65.380 > 5 11 Zn 0.36288879613050 0.65074896106546 0.39498904940814 65.380 > 6 12 Zn 0.86288879613050 0.65074896106546 0.39498904940814 65.380 > 6 13 Zn 0.36288879613050 0.84925103893454 0.89498904940815 65.380 > 7 14 Zn 0.86288879613050 0.84925103893454 0.89498904940815 65.380 > 7 15 Zn 0.13711120386950 0.15074896106546 0.10501095059186 65.380 > 8 16 Zn 0.63711120386950 0.15074896106546 0.10501095059186 65.380 > 8 *17 P 0.29058121143952 0.03318028628331 0.33453941812115 30.974 > 9 18 P 0.79058121143952 0.03318028628331 0.33453941812115 30.974 > 9 19 P 0.20941878856048 0.96681971371669 0.66546058187885 30.974 > 10 20 P 0.70941878856048 0.96681971371669 0.66546058187885 30.974 > 10 *21 P 0.33088013074869 0.19873763487406 0.98046145515484 30.974 > 11 22 P 0.83088013074870 0.19873763487406 0.98046145515484 30.974 > 11 23 P 0.16911986925131 0.80126236512594 0.01953854484516 30.974 > 12 24 P 0.66911986925130 0.80126236512594 0.01953854484516 30.974 > 12 25 P 0.16911986925131 0.69873763487406 0.51953854484516 30.974 > 13 26 P 0.66911986925130 0.69873763487406 0.51953854484516 30.974 > 13 27 P 0.33088013074869 0.30126236512594 0.48046145515484 30.974 > 14 28 P 0.83088013074870 0.30126236512594 0.48046145515484 30.974 > 14 29 P 0.29058121143952 0.46681971371669 0.83453941812115 30.974 > 15 30 P 0.79058121143952 0.46681971371669 0.83453941812115 30.974 > 15 31 P 0.20941878856048 0.53318028628331 0.16546058187885 30.974 > 16 32 P 0.70941878856048 0.53318028628331 0.16546058187885 30.974 > 16 *33 O 0.13706529079652 0.59742750141255 0.60155667758428 15.999 > 17 34 O 0.63706529079652 0.59742750141255 0.60155667758428 15.999 > 17 *35 O 0.16097744101253 0.61204116134364 0.04975232146534 15.999 > 18 36 O 0.66097744101253 0.61204116134364 0.04975232146534 15.999 > 18 *37 O 0.15796388703589 0.11882270919431 0.26568269599549 15.999 > 19 38 O 0.65796388703589 0.11882270919431 0.26568269599549 15.999 > 19 *39 O 0.05709377799540 0.68386623849528 0.40998466501577 15.999 > 20 40 O 0.55709377799540 0.68386623849528 0.40998466501577 15.999 > 20 *41 O 0.24210075554917 0.35479536483684 0.15286867835855 15.999 > 21 42 O 0.74210075554917 0.35479536483684 0.15286867835855 15.999 > 21 *43 O 0.09553463618086 0.94279255126531 0.70479230938613 15.999 > 22 44 O 0.59553463618086 0.94279255126531 0.70479230938613 15.999 > 22 45 O 0.36293470920348 0.09742750141255 0.89844332241572 15.999 > 23 46 O 0.86293470920348 0.09742750141255 0.89844332241572 15.999 > 23 47 O 0.33902255898747 0.38795883865636 0.95024767853466 15.999 > 24 48 O 0.83902255898747 0.38795883865636 0.95024767853466 15.999 > 24 *49 O 0.31379096756572 0.66605185190159 0.52585283314562 15.999 > 25 50 O 0.81379096756572 0.66605185190159 0.52585283314562 15.999 > 25 51 O 0.05709377799540 0.81613376150472 0.90998466501577 15.999 > 26 52 O 0.55709377799540 0.81613376150472 0.90998466501577 15.999 > 26 53 O 0.31379096756572 0.83394814809841 0.02585283314562 15.999 > 27 54 O 0.81379096756572 0.83394814809841 0.02585283314562 15.999 > 27 55 O 0.25789924445083 0.64520463516316 0.84713132164145 15.999 > 28 56 O 0.75789924445083 0.64520463516316 0.84713132164145 15.999 > 28 57 O 0.40446536381914 0.05720744873469 0.29520769061387 15.999 > 29 58 O 0.90446536381914 0.05720744873469 0.29520769061387 15.999 > 29 59 O 0.15796388703589 0.38117729080569 0.76568269599549 15.999 > 30 60 O 0.65796388703589 0.38117729080569 0.76568269599549 15.999 > 30 61 O 0.36293470920348 0.40257249858745 0.39844332241572 15.999 > 31 62 O 0.86293470920348 0.40257249858745 0.39844332241572 15.999 > 31 63 O 0.16097744101253 0.88795883865636 0.54975232146534 15.999 > 32 64 O 0.66097744101253 0.88795883865636 0.54975232146534 15.999 > 32 65 O 0.34203611296411 0.61882270919431 0.23431730400451 15.999 > 33 66 O 0.84203611296411 0.61882270919431 0.23431730400451 15.999 > 33 67 O 0.44290622200460 0.31613376150472 0.59001533498423 15.999 > 34 68 O 0.94290622200460 0.31613376150472 0.59001533498423 15.999 > 34 69 O 0.44290622200460 0.18386623849528 0.09001533498423 15.999 > 35 70 O 0.94290622200460 0.18386623849528 0.09001533498423 15.999 > 35 71 O 0.25789924445083 0.85479536483684 0.34713132164145 15.999 > 36 72 O 0.75789924445083 0.85479536483684 0.34713132164145 15.999 > 36 73 O 0.34203611296411 0.88117729080569 0.73431730400451 15.999 > 37 74 O 0.84203611296411 0.88117729080569 0.73431730400451 15.999 > 37 75 O 0.24210075554917 0.14520463516316 0.65286867835855 15.999 > 38 76 O 0.74210075554917 0.14520463516316 0.65286867835855 15.999 > 38 77 O 0.13706529079652 0.90257249858745 0.10155667758428 15.999 > 39 78 O 0.63706529079652 0.90257249858745 0.10155667758428 15.999 > 39 79 O 0.33902255898747 0.11204116134364 0.45024767853466 15.999 > 40 80 O 0.83902255898747 0.11204116134364 0.45024767853466 15.999 > 40 81 O 0.18620903243428 0.33394814809841 0.47414716685438 15.999 > 41 82 O 0.68620903243428 0.33394814809841 0.47414716685438 15.999 > 41 83 O 0.40446536381914 0.44279255126531 0.79520769061387 15.999 > 42 84 O 0.90446536381914 0.44279255126531 0.79520769061387 15.999 > 42 85 O 0.09553463618086 0.55720744873469 0.20479230938613 15.999 > 43 86 O 0.59553463618086 0.55720744873469 0.20479230938613 15.999 > 43 87 O 0.18620903243428 0.16605185190159 0.97414716685438 15.999 > 44 88 O 0.68620903243428 0.16605185190159 0.97414716685438 15.999 > 44 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9338398 0.0000000 -0.0185844 0.0000000 2.9528170 0.0000000 -0.0185849 0.0000000 2.8842524 -------------------------- Born effective charges -------------------------- 1 Sr 2.8077203 0.0207251 0.0198872 -0.0892245 2.5195220 -0.0340602 -0.0125462 0.0656273 2.4616219 2 Sr 2.8077203 -0.0207251 0.0198872 0.0892245 2.5195220 0.0340602 -0.0125462 -0.0656273 2.4616219 3 Sr 2.8077203 0.0207251 0.0198872 -0.0892245 2.5195220 -0.0340602 -0.0125462 0.0656273 2.4616219 4 Sr 2.8077203 -0.0207251 0.0198872 0.0892245 2.5195220 0.0340602 -0.0125462 -0.0656273 2.4616219 5 Zn 2.2149945 -0.0483939 -0.2700957 -0.2067099 2.3967722 -0.1046026 -0.0367820 -0.1681332 2.2743103 6 Zn 2.2149945 -0.0483939 -0.2700957 -0.2067099 2.3967722 -0.1046026 -0.0367820 -0.1681332 2.2743103 7 Zn 2.2149945 0.0483939 -0.2700957 0.2067099 2.3967722 0.1046026 -0.0367820 0.1681332 2.2743103 8 Zn 2.2149945 0.0483939 -0.2700957 0.2067099 2.3967722 0.1046026 -0.0367820 0.1681332 2.2743103 9 P 3.1521985 0.0253536 -0.0680334 0.1527396 3.7556183 0.6173977 0.0350487 -0.0674971 3.3955524 10 P 3.1521985 0.0253536 -0.0680334 0.1527396 3.7556183 0.6173977 0.0350487 -0.0674971 3.3955524 11 P 3.4744020 0.0568324 0.3223275 -0.0932152 3.5099538 0.1903591 -0.2914548 -0.6480299 3.4108677 12 P 3.4744020 0.0568324 0.3223275 -0.0932152 3.5099538 0.1903591 -0.2914548 -0.6480299 3.4108677 13 P 3.4744020 -0.0568324 0.3223275 0.0932152 3.5099538 -0.1903591 -0.2914548 0.6480299 3.4108677 14 P 3.4744020 -0.0568324 0.3223275 0.0932152 3.5099538 -0.1903591 -0.2914548 0.6480299 3.4108677 15 P 3.1521985 -0.0253536 -0.0680334 -0.1527396 3.7556183 -0.6173977 0.0350487 0.0674971 3.3955524 16 P 3.1521985 -0.0253536 -0.0680334 -0.1527396 3.7556183 -0.6173977 0.0350487 0.0674971 3.3955524 17 O -1.5100119 -0.2268727 0.4262750 -0.3367534 -1.8553043 0.4731723 0.4779025 0.2357405 -1.6576769 18 O -0.8955201 -0.1926003 0.1161353 -0.1854896 -2.3320923 0.9955511 0.1559608 1.0560405 -2.0182823 19 O -1.7084330 0.3331094 -0.3253381 0.2981858 -1.6453965 0.1723688 -0.4016959 0.2881945 -1.8191787 20 O -1.7913783 -0.0977205 -0.5469927 -0.1519076 -1.1188753 0.0236322 -0.5426788 -0.0325063 -2.1214400 21 O -1.3028073 0.1585100 -0.0675510 0.2072362 -2.5103050 -0.2044172 -0.0945329 -0.3299922 -1.2104017 22 O -2.1372408 -0.0997199 0.3810409 -0.0244107 -1.5730242 -0.1201808 0.4133030 0.0223313 -1.2227519 23 O -1.5100119 0.2268727 0.4262750 0.3367534 -1.8553043 -0.4731723 0.4779025 -0.2357405 -1.6576769 24 O -0.8955201 -0.1926003 0.1161353 -0.1854896 -2.3320923 0.9955511 0.1559608 1.0560405 -2.0182823 25 O -2.3039240 0.2484589 0.0123450 0.2175632 -1.1468687 0.0421033 0.2974756 -0.1382405 -1.4926208 26 O -1.7913783 0.0977205 -0.5469927 0.1519076 -1.1188753 -0.0236322 -0.5426788 0.0325063 -2.1214400 27 O -2.3039240 -0.2484589 0.0123450 -0.2175632 -1.1468687 -0.0421033 0.2974756 0.1382405 -1.4926208 28 O -1.3028073 0.1585100 -0.0675510 0.2072362 -2.5103050 -0.2044172 -0.0945329 -0.3299922 -1.2104017 29 O -2.1372408 -0.0997199 0.3810409 -0.0244107 -1.5730242 -0.1201808 0.4133030 0.0223313 -1.2227519 30 O -1.7084330 -0.3331094 -0.3253381 -0.2981858 -1.6453965 -0.1723688 -0.4016959 -0.2881945 -1.8191787 31 O -1.5100119 -0.2268727 0.4262750 -0.3367534 -1.8553043 0.4731723 0.4779025 0.2357405 -1.6576769 32 O -0.8955201 0.1926003 0.1161353 0.1854896 -2.3320923 -0.9955511 0.1559608 -1.0560405 -2.0182823 33 O -1.7084330 -0.3331094 -0.3253381 -0.2981858 -1.6453965 -0.1723688 -0.4016959 -0.2881945 -1.8191787 34 O -1.7913783 -0.0977205 -0.5469927 -0.1519076 -1.1188753 0.0236322 -0.5426788 -0.0325063 -2.1214400 35 O -1.7913783 0.0977205 -0.5469927 0.1519076 -1.1188753 -0.0236322 -0.5426788 0.0325063 -2.1214400 36 O -1.3028073 -0.1585100 -0.0675510 -0.2072362 -2.5103050 0.2044172 -0.0945329 0.3299922 -1.2104017 37 O -1.7084330 0.3331094 -0.3253381 0.2981858 -1.6453965 0.1723688 -0.4016959 0.2881945 -1.8191787 38 O -1.3028073 -0.1585100 -0.0675510 -0.2072362 -2.5103050 0.2044172 -0.0945329 0.3299922 -1.2104017 39 O -1.5100119 0.2268727 0.4262750 0.3367534 -1.8553043 -0.4731723 0.4779025 -0.2357405 -1.6576769 40 O -0.8955201 0.1926003 0.1161353 0.1854896 -2.3320923 -0.9955511 0.1559608 -1.0560405 -2.0182823 41 O -2.3039240 0.2484589 0.0123450 0.2175632 -1.1468687 0.0421033 0.2974756 -0.1382405 -1.4926208 42 O -2.1372408 0.0997199 0.3810409 0.0244107 -1.5730242 0.1201808 0.4133030 -0.0223313 -1.2227519 43 O -2.1372408 0.0997199 0.3810409 0.0244107 -1.5730242 0.1201808 0.4133030 -0.0223313 -1.2227519 44 O -2.3039240 -0.2484589 0.0123450 -0.2175632 -1.1468687 -0.0421033 0.2974756 0.1382405 -1.4926208 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4488 Number of blocks in projector: 4488 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: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 43 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 449 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 43 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 449 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 968 / 968 (1) 453 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4488, 4390), data: False |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (968, 947), data: False |-- (968, 15), data: (968, 36) @ (36, 15) |-- (468, 453), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True |-- (968, 946), data: False |-- (968, 19), data: (968, 41) @ (41, 19) |-- (468, 449), data: True |-- (500, 478), data: False |-- (500, 21), data: (500, 43) @ (43, 21) |-- (250, 229), data: True |-- (250, 228), data: True |-- (968, 946), data: False |-- (968, 19), data: (968, 41) @ (41, 19) |-- (468, 449), data: True |-- (500, 478), data: False |-- (500, 21), data: (500, 43) @ (43, 21) |-- (250, 229), data: True |-- (250, 228), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1360 - Time: 0.929 Solver_block: 200 / 1360 - Time: 0.823 Solver_block: 300 / 1360 - Time: 0.822 Solver_block: 400 / 1360 - Time: 0.817 Solver_block: 500 / 1360 - Time: 0.779 Solver_block: 600 / 1360 - Time: 0.809 Solver_block: 700 / 1360 - Time: 0.821 Solver_block: 800 / 1360 - Time: 0.812 Solver_block: 900 / 1360 - Time: 0.816 Solver_block: 1000 / 1360 - Time: 0.822 Solver_block: 1100 / 1360 - Time: 0.817 Solver_block: 1200 / 1360 - Time: 0.812 Solver_block: 1300 / 1360 - Time: 0.814 Solver_block: 1360 / 1360 - Time: 0.551 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 11.522 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4488 Number of blocks in projector: 4488 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: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 43 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 449 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 43 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 449 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 968 / 968 (1) 453 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4488, 4390), data: False |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (968, 947), data: False |-- (968, 15), data: (968, 36) @ (36, 15) |-- (468, 453), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True |-- (968, 946), data: False |-- (968, 19), data: (968, 41) @ (41, 19) |-- (468, 449), data: True |-- (500, 478), data: False |-- (500, 21), data: (500, 43) @ (43, 21) |-- (250, 229), data: True |-- (250, 228), data: True |-- (968, 946), data: False |-- (968, 19), data: (968, 41) @ (41, 19) |-- (468, 449), data: True |-- (500, 478), data: False |-- (500, 21), data: (500, 43) @ (43, 21) |-- (250, 229), data: True |-- (250, 228), 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 2026-01-08 14:20:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:20:17]------------------------- 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: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.322167050040605 0.000000000000000 0.000000000000000 b 0.000000000000000 8.184643179999998 0.000000000000000 c -5.246441461761409 0.000000000000000 12.755864484290189 Atomic positions (fractional): 1 Sr 0.99064427683285 0.33771983139698 0.27937754815531 87.620 2 Sr 0.00935572316715 0.83771983139698 0.22062245184469 87.620 3 Sr 0.00935572316715 0.66228016860302 0.72062245184469 87.620 4 Sr 0.99064427683285 0.16228016860302 0.77937754815531 87.620 5 Zn 0.27422240773899 0.34925103893454 0.60501095059185 65.380 6 Zn 0.72577759226101 0.65074896106546 0.39498904940814 65.380 7 Zn 0.72577759226101 0.84925103893454 0.89498904940815 65.380 8 Zn 0.27422240773899 0.15074896106546 0.10501095059186 65.380 9 P 0.58116242287904 0.03318028628331 0.33453941812115 30.974 10 P 0.41883757712096 0.96681971371669 0.66546058187885 30.974 11 P 0.66176026149739 0.19873763487406 0.98046145515484 30.974 12 P 0.33823973850261 0.80126236512594 0.01953854484516 30.974 13 P 0.33823973850261 0.69873763487406 0.51953854484516 30.974 14 P 0.66176026149739 0.30126236512594 0.48046145515484 30.974 15 P 0.58116242287904 0.46681971371669 0.83453941812115 30.974 16 P 0.41883757712096 0.53318028628331 0.16546058187885 30.974 17 O 0.27413058159304 0.59742750141255 0.60155667758428 15.999 18 O 0.32195488202505 0.61204116134364 0.04975232146534 15.999 19 O 0.31592777407179 0.11882270919431 0.26568269599549 15.999 20 O 0.11418755599079 0.68386623849528 0.40998466501577 15.999 21 O 0.48420151109833 0.35479536483684 0.15286867835855 15.999 22 O 0.19106927236171 0.94279255126531 0.70479230938613 15.999 23 O 0.72586941840696 0.09742750141255 0.89844332241572 15.999 24 O 0.67804511797495 0.38795883865636 0.95024767853466 15.999 25 O 0.62758193513143 0.66605185190159 0.52585283314562 15.999 26 O 0.11418755599079 0.81613376150472 0.90998466501577 15.999 27 O 0.62758193513143 0.83394814809841 0.02585283314562 15.999 28 O 0.51579848890167 0.64520463516316 0.84713132164145 15.999 29 O 0.80893072763829 0.05720744873469 0.29520769061387 15.999 30 O 0.31592777407179 0.38117729080569 0.76568269599549 15.999 31 O 0.72586941840696 0.40257249858745 0.39844332241572 15.999 32 O 0.32195488202505 0.88795883865636 0.54975232146534 15.999 33 O 0.68407222592821 0.61882270919431 0.23431730400451 15.999 34 O 0.88581244400921 0.31613376150472 0.59001533498423 15.999 35 O 0.88581244400921 0.18386623849528 0.09001533498423 15.999 36 O 0.51579848890167 0.85479536483684 0.34713132164145 15.999 37 O 0.68407222592821 0.88117729080569 0.73431730400451 15.999 38 O 0.48420151109833 0.14520463516316 0.65286867835855 15.999 39 O 0.27413058159304 0.90257249858745 0.10155667758428 15.999 40 O 0.67804511797495 0.11204116134364 0.45024767853466 15.999 41 O 0.37241806486857 0.33394814809841 0.47414716685438 15.999 42 O 0.80893072763829 0.44279255126531 0.79520769061387 15.999 43 O 0.19106927236171 0.55720744873469 0.20479230938613 15.999 44 O 0.37241806486857 0.16605185190159 0.97414716685438 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.644334100081210 0.000000000000000 0.000000000000000 b 0.000000000000000 8.184643179999998 0.000000000000000 c -5.246441461761409 0.000000000000000 12.755864484290189 Atomic positions (fractional): 1 Sr 0.49532213841643 0.33771983139698 0.27937754815531 87.620 > 1 2 Sr 0.99532213841643 0.33771983139698 0.27937754815531 87.620 > 1 3 Sr 0.00467786158357 0.83771983139698 0.22062245184469 87.620 > 3 4 Sr 0.50467786158357 0.83771983139698 0.22062245184469 87.620 > 3 5 Sr 0.00467786158357 0.66228016860302 0.72062245184469 87.620 > 5 6 Sr 0.50467786158357 0.66228016860302 0.72062245184469 87.620 > 5 7 Sr 0.49532213841643 0.16228016860302 0.77937754815531 87.620 > 7 8 Sr 0.99532213841643 0.16228016860302 0.77937754815531 87.620 > 7 9 Zn 0.13711120386950 0.34925103893454 0.60501095059185 65.380 > 9 10 Zn 0.63711120386950 0.34925103893454 0.60501095059185 65.380 > 9 11 Zn 0.36288879613050 0.65074896106546 0.39498904940814 65.380 > 11 12 Zn 0.86288879613050 0.65074896106546 0.39498904940814 65.380 > 11 13 Zn 0.36288879613050 0.84925103893454 0.89498904940815 65.380 > 13 14 Zn 0.86288879613050 0.84925103893454 0.89498904940815 65.380 > 13 15 Zn 0.13711120386950 0.15074896106546 0.10501095059186 65.380 > 15 16 Zn 0.63711120386950 0.15074896106546 0.10501095059186 65.380 > 15 17 P 0.29058121143952 0.03318028628331 0.33453941812115 30.974 > 17 18 P 0.79058121143952 0.03318028628331 0.33453941812115 30.974 > 17 19 P 0.20941878856048 0.96681971371669 0.66546058187885 30.974 > 19 20 P 0.70941878856048 0.96681971371669 0.66546058187885 30.974 > 19 21 P 0.33088013074869 0.19873763487406 0.98046145515484 30.974 > 21 22 P 0.83088013074870 0.19873763487406 0.98046145515484 30.974 > 21 23 P 0.16911986925131 0.80126236512594 0.01953854484516 30.974 > 23 24 P 0.66911986925130 0.80126236512594 0.01953854484516 30.974 > 23 25 P 0.16911986925131 0.69873763487406 0.51953854484516 30.974 > 25 26 P 0.66911986925130 0.69873763487406 0.51953854484516 30.974 > 25 27 P 0.33088013074869 0.30126236512594 0.48046145515484 30.974 > 27 28 P 0.83088013074870 0.30126236512594 0.48046145515484 30.974 > 27 29 P 0.29058121143952 0.46681971371669 0.83453941812115 30.974 > 29 30 P 0.79058121143952 0.46681971371669 0.83453941812115 30.974 > 29 31 P 0.20941878856048 0.53318028628331 0.16546058187885 30.974 > 31 32 P 0.70941878856048 0.53318028628331 0.16546058187885 30.974 > 31 33 O 0.13706529079652 0.59742750141255 0.60155667758428 15.999 > 33 34 O 0.63706529079652 0.59742750141255 0.60155667758428 15.999 > 33 35 O 0.16097744101253 0.61204116134364 0.04975232146534 15.999 > 35 36 O 0.66097744101253 0.61204116134364 0.04975232146534 15.999 > 35 37 O 0.15796388703589 0.11882270919431 0.26568269599549 15.999 > 37 38 O 0.65796388703589 0.11882270919431 0.26568269599549 15.999 > 37 39 O 0.05709377799540 0.68386623849528 0.40998466501577 15.999 > 39 40 O 0.55709377799540 0.68386623849528 0.40998466501577 15.999 > 39 41 O 0.24210075554917 0.35479536483684 0.15286867835855 15.999 > 41 42 O 0.74210075554917 0.35479536483684 0.15286867835855 15.999 > 41 43 O 0.09553463618086 0.94279255126531 0.70479230938613 15.999 > 43 44 O 0.59553463618086 0.94279255126531 0.70479230938613 15.999 > 43 45 O 0.36293470920348 0.09742750141255 0.89844332241572 15.999 > 45 46 O 0.86293470920348 0.09742750141255 0.89844332241572 15.999 > 45 47 O 0.33902255898747 0.38795883865636 0.95024767853466 15.999 > 47 48 O 0.83902255898747 0.38795883865636 0.95024767853466 15.999 > 47 49 O 0.31379096756572 0.66605185190159 0.52585283314562 15.999 > 49 50 O 0.81379096756572 0.66605185190159 0.52585283314562 15.999 > 49 51 O 0.05709377799540 0.81613376150472 0.90998466501577 15.999 > 51 52 O 0.55709377799540 0.81613376150472 0.90998466501577 15.999 > 51 53 O 0.31379096756572 0.83394814809841 0.02585283314562 15.999 > 53 54 O 0.81379096756572 0.83394814809841 0.02585283314562 15.999 > 53 55 O 0.25789924445083 0.64520463516316 0.84713132164145 15.999 > 55 56 O 0.75789924445083 0.64520463516316 0.84713132164145 15.999 > 55 57 O 0.40446536381914 0.05720744873469 0.29520769061387 15.999 > 57 58 O 0.90446536381914 0.05720744873469 0.29520769061387 15.999 > 57 59 O 0.15796388703589 0.38117729080569 0.76568269599549 15.999 > 59 60 O 0.65796388703589 0.38117729080569 0.76568269599549 15.999 > 59 61 O 0.36293470920348 0.40257249858745 0.39844332241572 15.999 > 61 62 O 0.86293470920348 0.40257249858745 0.39844332241572 15.999 > 61 63 O 0.16097744101253 0.88795883865636 0.54975232146534 15.999 > 63 64 O 0.66097744101253 0.88795883865636 0.54975232146534 15.999 > 63 65 O 0.34203611296411 0.61882270919431 0.23431730400451 15.999 > 65 66 O 0.84203611296411 0.61882270919431 0.23431730400451 15.999 > 65 67 O 0.44290622200460 0.31613376150472 0.59001533498423 15.999 > 67 68 O 0.94290622200460 0.31613376150472 0.59001533498423 15.999 > 67 69 O 0.44290622200460 0.18386623849528 0.09001533498423 15.999 > 69 70 O 0.94290622200460 0.18386623849528 0.09001533498423 15.999 > 69 71 O 0.25789924445083 0.85479536483684 0.34713132164145 15.999 > 71 72 O 0.75789924445083 0.85479536483684 0.34713132164145 15.999 > 71 73 O 0.34203611296411 0.88117729080569 0.73431730400451 15.999 > 73 74 O 0.84203611296411 0.88117729080569 0.73431730400451 15.999 > 73 75 O 0.24210075554917 0.14520463516316 0.65286867835855 15.999 > 75 76 O 0.74210075554917 0.14520463516316 0.65286867835855 15.999 > 75 77 O 0.13706529079652 0.90257249858745 0.10155667758428 15.999 > 77 78 O 0.63706529079652 0.90257249858745 0.10155667758428 15.999 > 77 79 O 0.33902255898747 0.11204116134364 0.45024767853466 15.999 > 79 80 O 0.83902255898747 0.11204116134364 0.45024767853466 15.999 > 79 81 O 0.18620903243428 0.33394814809841 0.47414716685438 15.999 > 81 82 O 0.68620903243428 0.33394814809841 0.47414716685438 15.999 > 81 83 O 0.40446536381914 0.44279255126531 0.79520769061387 15.999 > 83 84 O 0.90446536381914 0.44279255126531 0.79520769061387 15.999 > 83 85 O 0.09553463618086 0.55720744873469 0.20479230938613 15.999 > 85 86 O 0.59553463618086 0.55720744873469 0.20479230938613 15.999 > 85 87 O 0.18620903243428 0.16605185190159 0.97414716685438 15.999 > 87 88 O 0.68620903243428 0.16605185190159 0.97414716685438 15.999 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9338398 0.0000000 -0.0185844 0.0000000 2.9528170 0.0000000 -0.0185849 0.0000000 2.8842524 -------------------------- Born effective charges -------------------------- 1 Sr 2.8077203 0.0207251 0.0198872 -0.0892245 2.5195220 -0.0340602 -0.0125462 0.0656273 2.4616219 2 Sr 2.8077203 -0.0207251 0.0198872 0.0892245 2.5195220 0.0340602 -0.0125462 -0.0656273 2.4616219 3 Sr 2.8077203 0.0207251 0.0198872 -0.0892245 2.5195220 -0.0340602 -0.0125462 0.0656273 2.4616219 4 Sr 2.8077203 -0.0207251 0.0198872 0.0892245 2.5195220 0.0340602 -0.0125462 -0.0656273 2.4616219 5 Zn 2.2149945 -0.0483939 -0.2700957 -0.2067099 2.3967722 -0.1046026 -0.0367820 -0.1681332 2.2743103 6 Zn 2.2149945 -0.0483939 -0.2700957 -0.2067099 2.3967722 -0.1046026 -0.0367820 -0.1681332 2.2743103 7 Zn 2.2149945 0.0483939 -0.2700957 0.2067099 2.3967722 0.1046026 -0.0367820 0.1681332 2.2743103 8 Zn 2.2149945 0.0483939 -0.2700957 0.2067099 2.3967722 0.1046026 -0.0367820 0.1681332 2.2743103 9 P 3.1521985 0.0253536 -0.0680334 0.1527396 3.7556183 0.6173977 0.0350487 -0.0674971 3.3955524 10 P 3.1521985 0.0253536 -0.0680334 0.1527396 3.7556183 0.6173977 0.0350487 -0.0674971 3.3955524 11 P 3.4744020 0.0568324 0.3223275 -0.0932152 3.5099538 0.1903591 -0.2914548 -0.6480299 3.4108677 12 P 3.4744020 0.0568324 0.3223275 -0.0932152 3.5099538 0.1903591 -0.2914548 -0.6480299 3.4108677 13 P 3.4744020 -0.0568324 0.3223275 0.0932152 3.5099538 -0.1903591 -0.2914548 0.6480299 3.4108677 14 P 3.4744020 -0.0568324 0.3223275 0.0932152 3.5099538 -0.1903591 -0.2914548 0.6480299 3.4108677 15 P 3.1521985 -0.0253536 -0.0680334 -0.1527396 3.7556183 -0.6173977 0.0350487 0.0674971 3.3955524 16 P 3.1521985 -0.0253536 -0.0680334 -0.1527396 3.7556183 -0.6173977 0.0350487 0.0674971 3.3955524 17 O -1.5100119 -0.2268727 0.4262750 -0.3367534 -1.8553043 0.4731723 0.4779025 0.2357405 -1.6576769 18 O -0.8955201 -0.1926003 0.1161353 -0.1854896 -2.3320923 0.9955511 0.1559608 1.0560405 -2.0182823 19 O -1.7084330 0.3331094 -0.3253381 0.2981858 -1.6453965 0.1723688 -0.4016959 0.2881945 -1.8191787 20 O -1.7913783 -0.0977205 -0.5469927 -0.1519076 -1.1188753 0.0236322 -0.5426788 -0.0325063 -2.1214400 21 O -1.3028073 0.1585100 -0.0675510 0.2072362 -2.5103050 -0.2044172 -0.0945329 -0.3299922 -1.2104017 22 O -2.1372408 -0.0997199 0.3810409 -0.0244107 -1.5730242 -0.1201808 0.4133030 0.0223313 -1.2227519 23 O -1.5100119 0.2268727 0.4262750 0.3367534 -1.8553043 -0.4731723 0.4779025 -0.2357405 -1.6576769 24 O -0.8955201 -0.1926003 0.1161353 -0.1854896 -2.3320923 0.9955511 0.1559608 1.0560405 -2.0182823 25 O -2.3039240 0.2484589 0.0123450 0.2175632 -1.1468687 0.0421033 0.2974756 -0.1382405 -1.4926208 26 O -1.7913783 0.0977205 -0.5469927 0.1519076 -1.1188753 -0.0236322 -0.5426788 0.0325063 -2.1214400 27 O -2.3039240 -0.2484589 0.0123450 -0.2175632 -1.1468687 -0.0421033 0.2974756 0.1382405 -1.4926208 28 O -1.3028073 0.1585100 -0.0675510 0.2072362 -2.5103050 -0.2044172 -0.0945329 -0.3299922 -1.2104017 29 O -2.1372408 -0.0997199 0.3810409 -0.0244107 -1.5730242 -0.1201808 0.4133030 0.0223313 -1.2227519 30 O -1.7084330 -0.3331094 -0.3253381 -0.2981858 -1.6453965 -0.1723688 -0.4016959 -0.2881945 -1.8191787 31 O -1.5100119 -0.2268727 0.4262750 -0.3367534 -1.8553043 0.4731723 0.4779025 0.2357405 -1.6576769 32 O -0.8955201 0.1926003 0.1161353 0.1854896 -2.3320923 -0.9955511 0.1559608 -1.0560405 -2.0182823 33 O -1.7084330 -0.3331094 -0.3253381 -0.2981858 -1.6453965 -0.1723688 -0.4016959 -0.2881945 -1.8191787 34 O -1.7913783 -0.0977205 -0.5469927 -0.1519076 -1.1188753 0.0236322 -0.5426788 -0.0325063 -2.1214400 35 O -1.7913783 0.0977205 -0.5469927 0.1519076 -1.1188753 -0.0236322 -0.5426788 0.0325063 -2.1214400 36 O -1.3028073 -0.1585100 -0.0675510 -0.2072362 -2.5103050 0.2044172 -0.0945329 0.3299922 -1.2104017 37 O -1.7084330 0.3331094 -0.3253381 0.2981858 -1.6453965 0.1723688 -0.4016959 0.2881945 -1.8191787 38 O -1.3028073 -0.1585100 -0.0675510 -0.2072362 -2.5103050 0.2044172 -0.0945329 0.3299922 -1.2104017 39 O -1.5100119 0.2268727 0.4262750 0.3367534 -1.8553043 -0.4731723 0.4779025 -0.2357405 -1.6576769 40 O -0.8955201 0.1926003 0.1161353 0.1854896 -2.3320923 -0.9955511 0.1559608 -1.0560405 -2.0182823 41 O -2.3039240 0.2484589 0.0123450 0.2175632 -1.1468687 0.0421033 0.2974756 -0.1382405 -1.4926208 42 O -2.1372408 0.0997199 0.3810409 0.0244107 -1.5730242 0.1201808 0.4133030 -0.0223313 -1.2227519 43 O -2.1372408 0.0997199 0.3810409 0.0244107 -1.5730242 0.1201808 0.4133030 -0.0223313 -1.2227519 44 O -2.3039240 -0.2484589 0.0123450 -0.2175632 -1.1468687 -0.0421033 0.2974756 0.1382405 -1.4926208 ---------------------------------------------------------------------------- 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] [-0.0038 0.0000 0.0092] [ 0.0038 0.0000 -0.0092] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0038 0.0000 0.0092] [ 0.0038 0.0000 -0.0092] 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] [-0.0038 0.0000 0.0092] [ 0.0038 0.0000 -0.0092] Computing fc3[ 21, 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] [-0.0038 0.0000 0.0092] [ 0.0038 0.0000 -0.0092] 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] [-0.0038 0.0000 0.0092] [ 0.0038 0.0000 -0.0092] Computing fc3[ 35, 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] [-0.0038 0.0000 0.0092] [ 0.0038 0.0000 -0.0092] Computing fc3[ 37, 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] [-0.0038 0.0000 0.0092] [ 0.0038 0.0000 -0.0092] Computing fc3[ 39, 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] [-0.0038 0.0000 0.0092] [ 0.0038 0.0000 -0.0092] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0038 0.0000 0.0092] [ 0.0038 0.0000 -0.0092] Computing fc3[ 43, 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] [-0.0038 0.0000 0.0092] [ 0.0038 0.0000 -0.0092] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0038 0.0000 0.0092] [ 0.0038 0.0000 -0.0092] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) 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 2026-01-08 14:20:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:20:52]------------------------- 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: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.322167050040605 0.000000000000000 0.000000000000000 b 0.000000000000000 8.184643179999998 0.000000000000000 c -5.246441461761409 0.000000000000000 12.755864484290189 Atomic positions (fractional): 1 Sr 0.99064427683285 0.33771983139698 0.27937754815531 87.620 2 Sr 0.00935572316715 0.83771983139698 0.22062245184469 87.620 3 Sr 0.00935572316715 0.66228016860302 0.72062245184469 87.620 4 Sr 0.99064427683285 0.16228016860302 0.77937754815531 87.620 5 Zn 0.27422240773899 0.34925103893454 0.60501095059185 65.380 6 Zn 0.72577759226101 0.65074896106546 0.39498904940814 65.380 7 Zn 0.72577759226101 0.84925103893454 0.89498904940815 65.380 8 Zn 0.27422240773899 0.15074896106546 0.10501095059186 65.380 9 P 0.58116242287904 0.03318028628331 0.33453941812115 30.974 10 P 0.41883757712096 0.96681971371669 0.66546058187885 30.974 11 P 0.66176026149739 0.19873763487406 0.98046145515484 30.974 12 P 0.33823973850261 0.80126236512594 0.01953854484516 30.974 13 P 0.33823973850261 0.69873763487406 0.51953854484516 30.974 14 P 0.66176026149739 0.30126236512594 0.48046145515484 30.974 15 P 0.58116242287904 0.46681971371669 0.83453941812115 30.974 16 P 0.41883757712096 0.53318028628331 0.16546058187885 30.974 17 O 0.27413058159304 0.59742750141255 0.60155667758428 15.999 18 O 0.32195488202505 0.61204116134364 0.04975232146534 15.999 19 O 0.31592777407179 0.11882270919431 0.26568269599549 15.999 20 O 0.11418755599079 0.68386623849528 0.40998466501577 15.999 21 O 0.48420151109833 0.35479536483684 0.15286867835855 15.999 22 O 0.19106927236171 0.94279255126531 0.70479230938613 15.999 23 O 0.72586941840696 0.09742750141255 0.89844332241572 15.999 24 O 0.67804511797495 0.38795883865636 0.95024767853466 15.999 25 O 0.62758193513143 0.66605185190159 0.52585283314562 15.999 26 O 0.11418755599079 0.81613376150472 0.90998466501577 15.999 27 O 0.62758193513143 0.83394814809841 0.02585283314562 15.999 28 O 0.51579848890167 0.64520463516316 0.84713132164145 15.999 29 O 0.80893072763829 0.05720744873469 0.29520769061387 15.999 30 O 0.31592777407179 0.38117729080569 0.76568269599549 15.999 31 O 0.72586941840696 0.40257249858745 0.39844332241572 15.999 32 O 0.32195488202505 0.88795883865636 0.54975232146534 15.999 33 O 0.68407222592821 0.61882270919431 0.23431730400451 15.999 34 O 0.88581244400921 0.31613376150472 0.59001533498423 15.999 35 O 0.88581244400921 0.18386623849528 0.09001533498423 15.999 36 O 0.51579848890167 0.85479536483684 0.34713132164145 15.999 37 O 0.68407222592821 0.88117729080569 0.73431730400451 15.999 38 O 0.48420151109833 0.14520463516316 0.65286867835855 15.999 39 O 0.27413058159304 0.90257249858745 0.10155667758428 15.999 40 O 0.67804511797495 0.11204116134364 0.45024767853466 15.999 41 O 0.37241806486857 0.33394814809841 0.47414716685438 15.999 42 O 0.80893072763829 0.44279255126531 0.79520769061387 15.999 43 O 0.19106927236171 0.55720744873469 0.20479230938613 15.999 44 O 0.37241806486857 0.16605185190159 0.97414716685438 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.644334100081210 0.000000000000000 0.000000000000000 b 0.000000000000000 8.184643179999998 0.000000000000000 c -5.246441461761409 0.000000000000000 12.755864484290189 Atomic positions (fractional): 1 Sr 0.49532213841643 0.33771983139698 0.27937754815531 87.620 > 1 2 Sr 0.99532213841643 0.33771983139698 0.27937754815531 87.620 > 1 3 Sr 0.00467786158357 0.83771983139698 0.22062245184469 87.620 > 3 4 Sr 0.50467786158357 0.83771983139698 0.22062245184469 87.620 > 3 5 Sr 0.00467786158357 0.66228016860302 0.72062245184469 87.620 > 5 6 Sr 0.50467786158357 0.66228016860302 0.72062245184469 87.620 > 5 7 Sr 0.49532213841643 0.16228016860302 0.77937754815531 87.620 > 7 8 Sr 0.99532213841643 0.16228016860302 0.77937754815531 87.620 > 7 9 Zn 0.13711120386950 0.34925103893454 0.60501095059185 65.380 > 9 10 Zn 0.63711120386950 0.34925103893454 0.60501095059185 65.380 > 9 11 Zn 0.36288879613050 0.65074896106546 0.39498904940814 65.380 > 11 12 Zn 0.86288879613050 0.65074896106546 0.39498904940814 65.380 > 11 13 Zn 0.36288879613050 0.84925103893454 0.89498904940815 65.380 > 13 14 Zn 0.86288879613050 0.84925103893454 0.89498904940815 65.380 > 13 15 Zn 0.13711120386950 0.15074896106546 0.10501095059186 65.380 > 15 16 Zn 0.63711120386950 0.15074896106546 0.10501095059186 65.380 > 15 17 P 0.29058121143952 0.03318028628331 0.33453941812115 30.974 > 17 18 P 0.79058121143952 0.03318028628331 0.33453941812115 30.974 > 17 19 P 0.20941878856048 0.96681971371669 0.66546058187885 30.974 > 19 20 P 0.70941878856048 0.96681971371669 0.66546058187885 30.974 > 19 21 P 0.33088013074869 0.19873763487406 0.98046145515484 30.974 > 21 22 P 0.83088013074870 0.19873763487406 0.98046145515484 30.974 > 21 23 P 0.16911986925131 0.80126236512594 0.01953854484516 30.974 > 23 24 P 0.66911986925130 0.80126236512594 0.01953854484516 30.974 > 23 25 P 0.16911986925131 0.69873763487406 0.51953854484516 30.974 > 25 26 P 0.66911986925130 0.69873763487406 0.51953854484516 30.974 > 25 27 P 0.33088013074869 0.30126236512594 0.48046145515484 30.974 > 27 28 P 0.83088013074870 0.30126236512594 0.48046145515484 30.974 > 27 29 P 0.29058121143952 0.46681971371669 0.83453941812115 30.974 > 29 30 P 0.79058121143952 0.46681971371669 0.83453941812115 30.974 > 29 31 P 0.20941878856048 0.53318028628331 0.16546058187885 30.974 > 31 32 P 0.70941878856048 0.53318028628331 0.16546058187885 30.974 > 31 33 O 0.13706529079652 0.59742750141255 0.60155667758428 15.999 > 33 34 O 0.63706529079652 0.59742750141255 0.60155667758428 15.999 > 33 35 O 0.16097744101253 0.61204116134364 0.04975232146534 15.999 > 35 36 O 0.66097744101253 0.61204116134364 0.04975232146534 15.999 > 35 37 O 0.15796388703589 0.11882270919431 0.26568269599549 15.999 > 37 38 O 0.65796388703589 0.11882270919431 0.26568269599549 15.999 > 37 39 O 0.05709377799540 0.68386623849528 0.40998466501577 15.999 > 39 40 O 0.55709377799540 0.68386623849528 0.40998466501577 15.999 > 39 41 O 0.24210075554917 0.35479536483684 0.15286867835855 15.999 > 41 42 O 0.74210075554917 0.35479536483684 0.15286867835855 15.999 > 41 43 O 0.09553463618086 0.94279255126531 0.70479230938613 15.999 > 43 44 O 0.59553463618086 0.94279255126531 0.70479230938613 15.999 > 43 45 O 0.36293470920348 0.09742750141255 0.89844332241572 15.999 > 45 46 O 0.86293470920348 0.09742750141255 0.89844332241572 15.999 > 45 47 O 0.33902255898747 0.38795883865636 0.95024767853466 15.999 > 47 48 O 0.83902255898747 0.38795883865636 0.95024767853466 15.999 > 47 49 O 0.31379096756572 0.66605185190159 0.52585283314562 15.999 > 49 50 O 0.81379096756572 0.66605185190159 0.52585283314562 15.999 > 49 51 O 0.05709377799540 0.81613376150472 0.90998466501577 15.999 > 51 52 O 0.55709377799540 0.81613376150472 0.90998466501577 15.999 > 51 53 O 0.31379096756572 0.83394814809841 0.02585283314562 15.999 > 53 54 O 0.81379096756572 0.83394814809841 0.02585283314562 15.999 > 53 55 O 0.25789924445083 0.64520463516316 0.84713132164145 15.999 > 55 56 O 0.75789924445083 0.64520463516316 0.84713132164145 15.999 > 55 57 O 0.40446536381914 0.05720744873469 0.29520769061387 15.999 > 57 58 O 0.90446536381914 0.05720744873469 0.29520769061387 15.999 > 57 59 O 0.15796388703589 0.38117729080569 0.76568269599549 15.999 > 59 60 O 0.65796388703589 0.38117729080569 0.76568269599549 15.999 > 59 61 O 0.36293470920348 0.40257249858745 0.39844332241572 15.999 > 61 62 O 0.86293470920348 0.40257249858745 0.39844332241572 15.999 > 61 63 O 0.16097744101253 0.88795883865636 0.54975232146534 15.999 > 63 64 O 0.66097744101253 0.88795883865636 0.54975232146534 15.999 > 63 65 O 0.34203611296411 0.61882270919431 0.23431730400451 15.999 > 65 66 O 0.84203611296411 0.61882270919431 0.23431730400451 15.999 > 65 67 O 0.44290622200460 0.31613376150472 0.59001533498423 15.999 > 67 68 O 0.94290622200460 0.31613376150472 0.59001533498423 15.999 > 67 69 O 0.44290622200460 0.18386623849528 0.09001533498423 15.999 > 69 70 O 0.94290622200460 0.18386623849528 0.09001533498423 15.999 > 69 71 O 0.25789924445083 0.85479536483684 0.34713132164145 15.999 > 71 72 O 0.75789924445083 0.85479536483684 0.34713132164145 15.999 > 71 73 O 0.34203611296411 0.88117729080569 0.73431730400451 15.999 > 73 74 O 0.84203611296411 0.88117729080569 0.73431730400451 15.999 > 73 75 O 0.24210075554917 0.14520463516316 0.65286867835855 15.999 > 75 76 O 0.74210075554917 0.14520463516316 0.65286867835855 15.999 > 75 77 O 0.13706529079652 0.90257249858745 0.10155667758428 15.999 > 77 78 O 0.63706529079652 0.90257249858745 0.10155667758428 15.999 > 77 79 O 0.33902255898747 0.11204116134364 0.45024767853466 15.999 > 79 80 O 0.83902255898747 0.11204116134364 0.45024767853466 15.999 > 79 81 O 0.18620903243428 0.33394814809841 0.47414716685438 15.999 > 81 82 O 0.68620903243428 0.33394814809841 0.47414716685438 15.999 > 81 83 O 0.40446536381914 0.44279255126531 0.79520769061387 15.999 > 83 84 O 0.90446536381914 0.44279255126531 0.79520769061387 15.999 > 83 85 O 0.09553463618086 0.55720744873469 0.20479230938613 15.999 > 85 86 O 0.59553463618086 0.55720744873469 0.20479230938613 15.999 > 85 87 O 0.18620903243428 0.16605185190159 0.97414716685438 15.999 > 87 88 O 0.68620903243428 0.16605185190159 0.97414716685438 15.999 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9338398 0.0000000 -0.0185844 0.0000000 2.9528170 0.0000000 -0.0185849 0.0000000 2.8842524 -------------------------- Born effective charges -------------------------- 1 Sr 2.8077203 0.0207251 0.0198872 -0.0892245 2.5195220 -0.0340602 -0.0125462 0.0656273 2.4616219 2 Sr 2.8077203 -0.0207251 0.0198872 0.0892245 2.5195220 0.0340602 -0.0125462 -0.0656273 2.4616219 3 Sr 2.8077203 0.0207251 0.0198872 -0.0892245 2.5195220 -0.0340602 -0.0125462 0.0656273 2.4616219 4 Sr 2.8077203 -0.0207251 0.0198872 0.0892245 2.5195220 0.0340602 -0.0125462 -0.0656273 2.4616219 5 Zn 2.2149945 -0.0483939 -0.2700957 -0.2067099 2.3967722 -0.1046026 -0.0367820 -0.1681332 2.2743103 6 Zn 2.2149945 -0.0483939 -0.2700957 -0.2067099 2.3967722 -0.1046026 -0.0367820 -0.1681332 2.2743103 7 Zn 2.2149945 0.0483939 -0.2700957 0.2067099 2.3967722 0.1046026 -0.0367820 0.1681332 2.2743103 8 Zn 2.2149945 0.0483939 -0.2700957 0.2067099 2.3967722 0.1046026 -0.0367820 0.1681332 2.2743103 9 P 3.1521985 0.0253536 -0.0680334 0.1527396 3.7556183 0.6173977 0.0350487 -0.0674971 3.3955524 10 P 3.1521985 0.0253536 -0.0680334 0.1527396 3.7556183 0.6173977 0.0350487 -0.0674971 3.3955524 11 P 3.4744020 0.0568324 0.3223275 -0.0932152 3.5099538 0.1903591 -0.2914548 -0.6480299 3.4108677 12 P 3.4744020 0.0568324 0.3223275 -0.0932152 3.5099538 0.1903591 -0.2914548 -0.6480299 3.4108677 13 P 3.4744020 -0.0568324 0.3223275 0.0932152 3.5099538 -0.1903591 -0.2914548 0.6480299 3.4108677 14 P 3.4744020 -0.0568324 0.3223275 0.0932152 3.5099538 -0.1903591 -0.2914548 0.6480299 3.4108677 15 P 3.1521985 -0.0253536 -0.0680334 -0.1527396 3.7556183 -0.6173977 0.0350487 0.0674971 3.3955524 16 P 3.1521985 -0.0253536 -0.0680334 -0.1527396 3.7556183 -0.6173977 0.0350487 0.0674971 3.3955524 17 O -1.5100119 -0.2268727 0.4262750 -0.3367534 -1.8553043 0.4731723 0.4779025 0.2357405 -1.6576769 18 O -0.8955201 -0.1926003 0.1161353 -0.1854896 -2.3320923 0.9955511 0.1559608 1.0560405 -2.0182823 19 O -1.7084330 0.3331094 -0.3253381 0.2981858 -1.6453965 0.1723688 -0.4016959 0.2881945 -1.8191787 20 O -1.7913783 -0.0977205 -0.5469927 -0.1519076 -1.1188753 0.0236322 -0.5426788 -0.0325063 -2.1214400 21 O -1.3028073 0.1585100 -0.0675510 0.2072362 -2.5103050 -0.2044172 -0.0945329 -0.3299922 -1.2104017 22 O -2.1372408 -0.0997199 0.3810409 -0.0244107 -1.5730242 -0.1201808 0.4133030 0.0223313 -1.2227519 23 O -1.5100119 0.2268727 0.4262750 0.3367534 -1.8553043 -0.4731723 0.4779025 -0.2357405 -1.6576769 24 O -0.8955201 -0.1926003 0.1161353 -0.1854896 -2.3320923 0.9955511 0.1559608 1.0560405 -2.0182823 25 O -2.3039240 0.2484589 0.0123450 0.2175632 -1.1468687 0.0421033 0.2974756 -0.1382405 -1.4926208 26 O -1.7913783 0.0977205 -0.5469927 0.1519076 -1.1188753 -0.0236322 -0.5426788 0.0325063 -2.1214400 27 O -2.3039240 -0.2484589 0.0123450 -0.2175632 -1.1468687 -0.0421033 0.2974756 0.1382405 -1.4926208 28 O -1.3028073 0.1585100 -0.0675510 0.2072362 -2.5103050 -0.2044172 -0.0945329 -0.3299922 -1.2104017 29 O -2.1372408 -0.0997199 0.3810409 -0.0244107 -1.5730242 -0.1201808 0.4133030 0.0223313 -1.2227519 30 O -1.7084330 -0.3331094 -0.3253381 -0.2981858 -1.6453965 -0.1723688 -0.4016959 -0.2881945 -1.8191787 31 O -1.5100119 -0.2268727 0.4262750 -0.3367534 -1.8553043 0.4731723 0.4779025 0.2357405 -1.6576769 32 O -0.8955201 0.1926003 0.1161353 0.1854896 -2.3320923 -0.9955511 0.1559608 -1.0560405 -2.0182823 33 O -1.7084330 -0.3331094 -0.3253381 -0.2981858 -1.6453965 -0.1723688 -0.4016959 -0.2881945 -1.8191787 34 O -1.7913783 -0.0977205 -0.5469927 -0.1519076 -1.1188753 0.0236322 -0.5426788 -0.0325063 -2.1214400 35 O -1.7913783 0.0977205 -0.5469927 0.1519076 -1.1188753 -0.0236322 -0.5426788 0.0325063 -2.1214400 36 O -1.3028073 -0.1585100 -0.0675510 -0.2072362 -2.5103050 0.2044172 -0.0945329 0.3299922 -1.2104017 37 O -1.7084330 0.3331094 -0.3253381 0.2981858 -1.6453965 0.1723688 -0.4016959 0.2881945 -1.8191787 38 O -1.3028073 -0.1585100 -0.0675510 -0.2072362 -2.5103050 0.2044172 -0.0945329 0.3299922 -1.2104017 39 O -1.5100119 0.2268727 0.4262750 0.3367534 -1.8553043 -0.4731723 0.4779025 -0.2357405 -1.6576769 40 O -0.8955201 0.1926003 0.1161353 0.1854896 -2.3320923 -0.9955511 0.1559608 -1.0560405 -2.0182823 41 O -2.3039240 0.2484589 0.0123450 0.2175632 -1.1468687 0.0421033 0.2974756 -0.1382405 -1.4926208 42 O -2.1372408 0.0997199 0.3810409 0.0244107 -1.5730242 0.1201808 0.4133030 -0.0223313 -1.2227519 43 O -2.1372408 0.0997199 0.3810409 0.0244107 -1.5730242 0.1201808 0.4133030 -0.0223313 -1.2227519 44 O -2.3039240 -0.2484589 0.0123450 -0.2175632 -1.1468687 -0.0421033 0.2974756 0.1382405 -1.4926208 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) 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 ... [ 10 6 4 ] 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: 0.51, Number of G-points: 293, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/88) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.709 ( 0.000 0.000 0.000) 0.000 2.208 ( 0.000 0.000 0.000) 0.000 2.537 ( 0.000 0.000 0.000) 0.000 2.641 ( 0.000 0.000 0.000) 0.000 2.704 ( 0.000 0.000 0.000) 0.000 2.733 ( 0.000 0.000 0.000) 0.000 2.882 ( 0.000 0.000 0.000) 0.000 3.084 ( 0.000 0.000 0.000) 0.000 3.104 ( 0.000 0.000 0.000) 0.000 3.174 ( 0.000 0.000 0.000) 0.000 3.233 ( 0.000 0.000 0.000) 0.000 3.260 ( 0.000 0.000 0.000) 0.000 3.346 ( 0.000 0.000 0.000) 0.000 3.471 ( 0.000 0.000 0.000) 0.000 3.506 ( 0.000 0.000 0.000) 0.000 3.606 ( 0.000 0.000 0.000) 0.000 3.712 ( 0.000 0.000 0.000) 0.000 3.913 ( 0.000 0.000 0.000) 0.000 3.921 ( 0.000 0.000 0.000) 0.000 4.047 ( 0.000 0.000 0.000) 0.000 4.178 ( 0.000 0.000 0.000) 0.000 4.184 ( 0.000 0.000 0.000) 0.000 4.288 ( 0.000 0.000 0.000) 0.000 4.380 ( 0.000 0.000 0.000) 0.000 4.527 ( 0.000 0.000 0.000) 0.000 4.601 ( 0.000 0.000 0.000) 0.000 4.679 ( 0.000 0.000 0.000) 0.000 4.789 ( 0.000 0.000 0.000) 0.000 4.859 ( 0.000 0.000 0.000) 0.000 4.875 ( 0.000 0.000 0.000) 0.000 4.927 ( 0.000 0.000 0.000) 0.000 5.165 ( 0.000 0.000 0.000) 0.000 5.233 ( 0.000 0.000 0.000) 0.000 5.299 ( 0.000 0.000 0.000) 0.000 5.695 ( 0.000 0.000 0.000) 0.000 5.914 ( 0.000 0.000 0.000) 0.000 5.923 ( 0.000 0.000 0.000) 0.000 6.039 ( 0.000 0.000 0.000) 0.000 6.121 ( 0.000 0.000 0.000) 0.000 6.281 ( 0.000 0.000 0.000) 0.000 6.326 ( 0.000 0.000 0.000) 0.000 6.578 ( 0.000 0.000 0.000) 0.000 6.700 ( 0.000 0.000 0.000) 0.000 6.708 ( 0.000 0.000 0.000) 0.000 6.710 ( 0.000 0.000 0.000) 0.000 7.094 ( 0.000 0.000 0.000) 0.000 7.522 ( 0.000 0.000 0.000) 0.000 7.820 ( 0.000 0.000 0.000) 0.000 7.840 ( 0.000 0.000 0.000) 0.000 7.906 ( 0.000 0.000 0.000) 0.000 8.184 ( 0.000 0.000 0.000) 0.000 8.239 ( 0.000 0.000 0.000) 0.000 8.365 ( 0.000 0.000 0.000) 0.000 8.718 ( 0.000 0.000 0.000) 0.000 8.860 ( 0.000 0.000 0.000) 0.000 9.035 ( 0.000 0.000 0.000) 0.000 9.101 ( 0.000 0.000 0.000) 0.000 9.475 ( 0.000 0.000 0.000) 0.000 9.713 ( 0.000 0.000 0.000) 0.000 9.940 ( 0.000 0.000 0.000) 0.000 10.288 ( 0.000 0.000 0.000) 0.000 10.290 ( 0.000 0.000 0.000) 0.000 10.300 ( 0.000 0.000 0.000) 0.000 10.809 ( 0.000 0.000 0.000) 0.000 10.822 ( 0.000 0.000 0.000) 0.000 10.831 ( 0.000 0.000 0.000) 0.000 10.877 ( 0.000 0.000 0.000) 0.000 11.233 ( 0.000 0.000 0.000) 0.000 11.351 ( 0.000 0.000 0.000) 0.000 12.288 ( 0.000 0.000 0.000) 0.000 12.400 ( 0.000 0.000 0.000) 0.000 12.844 ( 0.000 0.000 0.000) 0.000 12.913 ( 0.000 0.000 0.000) 0.000 14.161 ( 0.000 0.000 0.000) 0.000 14.231 ( 0.000 0.000 0.000) 0.000 14.240 ( 0.000 0.000 0.000) 0.000 14.328 ( 0.000 0.000 0.000) 0.000 14.570 ( 0.000 0.000 0.000) 0.000 14.987 ( 0.000 0.000 0.000) 0.000 15.198 ( 0.000 0.000 0.000) 0.000 15.267 ( 0.000 0.000 0.000) 0.000 15.585 ( 0.000 0.000 0.000) 0.000 15.627 ( 0.000 0.000 0.000) 0.000 15.777 ( 0.000 0.000 0.000) 0.000 15.782 ( 0.000 0.000 0.000) 0.000 15.789 ( 0.000 0.000 0.000) 0.000 15.818 ( 0.000 0.000 0.000) 0.000 15.932 ( 0.000 0.000 0.000) 0.000 16.382 ( 0.000 0.000 0.000) 0.000 16.631 ( 0.000 0.000 0.000) 0.000 16.839 ( 0.000 0.000 0.000) 0.000 16.854 ( 0.000 0.000 0.000) 0.000 16.861 ( 0.000 0.000 0.000) 0.000 17.759 ( 0.000 0.000 0.000) 0.000 17.999 ( 0.000 0.000 0.000) 0.000 18.165 ( 0.000 0.000 0.000) 0.000 18.168 ( 0.000 0.000 0.000) 0.000 21.362 ( 0.000 0.000 0.000) 0.000 21.423 ( 0.000 0.000 0.000) 0.000 21.957 ( 0.000 0.000 0.000) 0.000 22.005 ( 0.000 0.000 0.000) 0.000 27.106 ( 0.000 0.000 0.000) 0.000 27.221 ( 0.000 0.000 0.000) 0.000 27.519 ( 0.000 0.000 0.000) 0.000 27.785 ( 0.000 0.000 0.000) 0.000 28.813 ( 0.000 0.000 0.000) 0.000 28.912 ( 0.000 0.000 0.000) 0.000 28.914 ( 0.000 0.000 0.000) 0.000 29.022 ( 0.000 0.000 0.000) 0.000 29.844 ( 0.000 0.000 0.000) 0.000 29.860 ( 0.000 0.000 0.000) 0.000 30.370 ( 0.000 0.000 0.000) 0.000 30.382 ( 0.000 0.000 0.000) 0.000 30.555 ( 0.000 0.000 0.000) 0.000 30.622 ( 0.000 0.000 0.000) 0.000 31.263 ( 0.000 0.000 0.000) 0.000 31.277 ( 0.000 0.000 0.000) 0.000 31.461 ( 0.000 0.000 0.000) 0.000 31.655 ( 0.000 0.000 0.000) 0.000 31.719 ( 0.000 0.000 0.000) 0.000 31.814 ( 0.000 0.000 0.000) 0.000 31.823 ( 0.000 0.000 0.000) 0.000 32.461 ( 0.000 0.000 0.000) 0.000 32.502 ( 0.000 0.000 0.000) 0.000 33.284 ( 0.000 0.000 0.000) 0.000 33.312 ( 0.000 0.000 0.000) 0.000 33.652 ( 0.000 0.000 0.000) 0.000 33.796 ( 0.000 0.000 0.000) 0.000 33.850 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/88) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( 31.357 0.000 3.614) 31.565 0.724 ( 29.448 0.000 20.016) 35.607 1.143 ( 52.653 0.000 13.126) 54.264 1.777 ( 7.628 0.000 -0.763) 7.666 2.160 ( -0.987 0.000 -16.548) 16.577 2.508 ( -6.180 0.000 12.493) 13.938 2.665 ( 3.216 0.000 -8.226) 8.832 2.726 ( 6.768 0.000 -0.779) 6.812 2.791 ( 3.926 0.000 7.051) 8.071 2.976 ( 3.761 0.000 -1.859) 4.195 3.114 ( -0.324 0.000 4.356) 4.368 3.121 ( 9.197 0.000 -7.065) 11.597 3.242 ( 0.501 0.000 0.148) 0.523 3.299 ( 8.389 0.000 1.154) 8.468 3.337 ( 6.195 0.000 -4.275) 7.527 3.350 ( 1.888 0.000 2.292) 2.969 3.449 ( -3.384 0.000 1.253) 3.609 3.567 ( 2.601 0.000 -6.985) 7.453 3.573 ( -4.341 0.000 20.633) 21.084 3.795 ( 4.431 0.000 -0.751) 4.494 3.883 ( -0.744 0.000 -1.667) 1.826 3.894 ( -4.172 0.000 0.034) 4.173 3.998 ( -0.494 0.000 -1.794) 1.861 4.194 ( -0.861 0.000 0.894) 1.241 4.259 ( 1.787 0.000 5.867) 6.133 4.281 ( -3.146 0.000 -1.915) 3.683 4.323 ( 0.496 0.000 0.140) 0.516 4.563 ( -8.680 0.000 3.133) 9.228 4.636 ( -0.727 0.000 -5.096) 5.148 4.637 ( 2.683 0.000 -0.394) 2.712 4.845 ( 2.433 0.000 4.696) 5.289 4.881 ( -3.935 0.000 0.503) 3.967 4.996 ( -3.712 0.000 2.578) 4.519 5.030 ( 9.505 0.000 1.972) 9.707 5.274 ( 7.201 0.000 0.681) 7.233 5.334 ( 4.863 0.000 -4.494) 6.622 5.644 ( -0.244 0.000 -6.834) 6.838 5.667 ( -7.990 0.000 12.325) 14.688 5.874 ( -3.805 0.000 -0.541) 3.843 6.029 ( 2.586 0.000 -18.286) 18.468 6.062 ( -0.899 0.000 4.565) 4.652 6.145 ( -0.883 0.000 7.465) 7.517 6.288 ( -1.354 0.000 1.094) 1.740 6.342 ( 1.929 0.000 -0.758) 2.073 6.527 ( -4.207 0.000 1.466) 4.455 6.655 ( -6.872 0.000 5.520) 8.815 6.723 ( -0.732 0.000 1.319) 1.508 6.744 ( 7.131 0.000 -10.669) 12.833 7.397 ( -2.028 0.000 -1.880) 2.766 7.591 ( -11.894 0.000 0.126) 11.895 7.604 ( 4.411 0.000 5.794) 7.282 7.901 ( 0.871 0.000 -3.705) 3.806 7.985 ( 4.586 0.000 -4.833) 6.663 8.130 ( -4.192 0.000 -1.898) 4.602 8.376 ( 1.893 0.000 1.221) 2.252 8.669 ( -2.292 0.000 2.501) 3.392 8.833 ( -2.199 0.000 -1.567) 2.700 8.871 ( -7.855 0.000 -0.468) 7.869 9.069 ( 2.618 0.000 0.330) 2.639 9.102 ( -0.322 0.000 -0.556) 0.642 9.488 ( 1.062 0.000 0.357) 1.120 9.704 ( 0.130 0.000 -2.981) 2.984 9.952 ( 0.801 0.000 1.452) 1.658 10.216 ( -6.956 0.000 6.374) 9.435 10.345 ( 4.434 0.000 -7.527) 8.736 10.360 ( 3.352 0.000 6.141) 6.996 10.771 ( -2.888 0.000 0.320) 2.906 10.792 ( -1.114 0.000 -1.997) 2.287 10.884 ( 2.285 0.000 1.340) 2.649 10.910 ( 2.955 0.000 -1.793) 3.456 11.235 ( 0.204 0.000 0.224) 0.303 11.346 ( -0.493 0.000 -0.812) 0.950 12.312 ( 2.812 0.000 -0.711) 2.900 12.539 ( 1.848 0.000 -2.861) 3.406 12.861 ( 0.869 0.000 1.462) 1.701 12.899 ( -1.260 0.000 -0.479) 1.348 14.131 ( -2.846 0.000 0.014) 2.846 14.220 ( 0.070 0.000 -2.877) 2.878 14.250 ( -1.753 0.000 3.042) 3.511 14.340 ( 0.807 0.000 0.791) 1.130 14.625 ( -5.852 0.000 17.812) 18.749 14.954 ( -3.402 0.000 1.071) 3.567 15.201 ( -0.297 0.000 0.535) 0.612 15.235 ( -1.834 0.000 -3.126) 3.624 15.576 ( -0.942 0.000 0.637) 1.137 15.640 ( 0.694 0.000 1.614) 1.757 15.759 ( -0.517 0.000 -1.962) 2.029 15.762 ( -1.289 0.000 -0.275) 1.318 15.810 ( 1.110 0.000 1.452) 1.828 15.873 ( 3.466 0.000 0.038) 3.466 16.012 ( 4.646 0.000 -11.506) 12.409 16.394 ( -1.152 0.000 3.728) 3.902 16.735 ( -3.226 0.000 -2.909) 4.344 16.830 ( -1.156 0.000 -1.956) 2.272 16.944 ( 3.470 0.000 -0.344) 3.487 16.954 ( 2.254 0.000 -0.497) 2.308 17.775 ( 1.010 0.000 1.457) 1.772 17.988 ( -1.033 0.000 -0.410) 1.112 18.147 ( -2.271 0.000 0.269) 2.287 18.192 ( -0.146 0.000 -5.580) 5.582 21.428 ( 0.770 0.000 -0.529) 0.935 21.448 ( -2.651 0.000 8.182) 8.601 21.942 ( -2.159 0.000 1.387) 2.566 21.985 ( -1.435 0.000 -1.555) 2.116 27.208 ( -6.570 0.000 16.093) 17.383 27.230 ( -3.213 0.000 9.758) 10.274 27.473 ( -4.137 0.000 -1.756) 4.494 27.716 ( -6.020 0.000 -2.899) 6.682 28.821 ( 0.509 0.000 0.764) 0.918 28.909 ( -0.193 0.000 -0.394) 0.439 28.919 ( -1.692 0.000 3.484) 3.873 29.010 ( -0.967 0.000 -0.564) 1.120 29.861 ( 0.558 0.000 2.482) 2.544 29.926 ( -3.734 0.000 7.263) 8.166 30.347 ( -3.553 0.000 1.856) 4.009 30.391 ( 2.599 0.000 -1.442) 2.972 30.519 ( -3.323 0.000 -1.038) 3.481 30.622 ( 0.440 0.000 -0.117) 0.455 31.313 ( 2.146 0.000 -1.510) 2.624 31.341 ( 4.600 0.000 1.232) 4.762 31.470 ( 2.112 0.000 -2.173) 3.030 31.644 ( -1.277 0.000 0.252) 1.301 31.798 ( -0.569 0.000 -1.885) 1.969 31.850 ( 11.302 0.000 4.362) 12.115 32.384 ( -4.214 0.000 -7.146) 8.296 32.396 ( -2.390 0.000 11.552) 11.797 33.314 ( 3.074 0.000 0.501) 3.115 33.331 ( 1.889 0.000 -1.050) 2.161 33.594 ( -2.778 0.000 -2.011) 3.429 33.729 ( -0.793 0.000 2.849) 2.957 33.909 ( 8.014 0.000 4.363) 9.124 34.757 ( 14.487 0.000 -37.373) 40.083 ======================= Grid point 2 (3/88) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 28.374 0.000 2.469) 28.482 1.394 ( 27.487 0.000 13.337) 30.552 1.907 ( 14.246 0.000 0.495) 14.255 1.988 ( -0.429 0.000 -16.154) 16.160 2.173 ( 36.283 0.000 7.470) 37.044 2.504 ( -2.011 0.000 7.315) 7.586 2.649 ( 4.271 0.000 -8.318) 9.350 2.831 ( -1.024 0.000 5.541) 5.634 2.912 ( 1.887 0.000 5.398) 5.718 2.952 ( -4.035 0.000 0.996) 4.156 3.110 ( -2.688 0.000 1.415) 3.038 3.275 ( -0.831 0.000 0.394) 0.919 3.291 ( 9.594 0.000 -7.374) 12.100 3.369 ( 3.030 0.000 -3.299) 4.480 3.417 ( 11.259 0.000 1.736) 11.392 3.492 ( 5.655 0.000 5.256) 7.720 3.511 ( 8.256 0.000 -3.820) 9.097 3.650 ( 11.602 0.000 -7.248) 13.680 3.688 ( 0.457 0.000 15.612) 15.618 3.815 ( -0.119 0.000 -1.107) 1.113 3.818 ( -3.682 0.000 2.987) 4.742 3.887 ( 5.201 0.000 -11.509) 12.630 4.006 ( 3.806 0.000 -3.789) 5.370 4.096 ( -6.684 0.000 0.509) 6.704 4.294 ( -3.010 0.000 5.533) 6.299 4.312 ( 5.583 0.000 -1.781) 5.860 4.380 ( 6.209 0.000 0.692) 6.247 4.417 ( -8.761 0.000 5.337) 10.259 4.561 ( -2.237 0.000 -8.501) 8.791 4.732 ( 6.284 0.000 0.244) 6.289 4.782 ( -5.739 0.000 -0.989) 5.824 4.902 ( -0.708 0.000 3.442) 3.514 4.995 ( 4.544 0.000 -3.421) 5.688 5.183 ( 5.308 0.000 0.576) 5.339 5.374 ( 2.376 0.000 -3.948) 4.608 5.395 ( 5.847 0.000 -1.550) 6.049 5.614 ( -7.405 0.000 11.483) 13.664 5.644 ( 2.864 0.000 -4.132) 5.027 5.819 ( -0.874 0.000 2.684) 2.822 5.895 ( -5.933 0.000 -5.276) 7.940 6.032 ( -6.166 0.000 4.397) 7.574 6.197 ( -0.629 0.000 9.354) 9.375 6.279 ( -1.501 0.000 2.838) 3.211 6.386 ( 3.808 0.000 -2.727) 4.683 6.488 ( -0.946 0.000 1.855) 2.082 6.577 ( -2.582 0.000 -0.081) 2.583 6.675 ( -4.638 0.000 0.957) 4.736 6.796 ( 7.988 0.000 -13.556) 15.734 7.334 ( -4.966 0.000 2.104) 5.394 7.427 ( -5.012 0.000 -0.176) 5.015 7.714 ( 1.250 0.000 4.051) 4.240 7.899 ( -7.190 0.000 -3.285) 7.905 7.900 ( 1.729 0.000 0.699) 1.865 8.070 ( -0.544 0.000 -5.201) 5.229 8.453 ( 3.891 0.000 2.837) 4.815 8.620 ( -6.345 0.000 1.065) 6.433 8.714 ( -4.348 0.000 -3.171) 5.382 8.759 ( -3.938 0.000 -2.176) 4.499 9.072 ( -2.962 0.000 0.998) 3.126 9.104 ( 0.812 0.000 -1.175) 1.428 9.516 ( 1.410 0.000 0.620) 1.540 9.671 ( -0.091 0.000 -5.413) 5.414 9.993 ( 1.557 0.000 2.711) 3.126 10.154 ( -5.271 0.000 7.796) 9.411 10.355 ( 3.010 0.000 -7.694) 8.262 10.492 ( 4.124 0.000 7.724) 8.756 10.721 ( -2.825 0.000 0.597) 2.888 10.748 ( -1.645 0.000 -3.107) 3.515 10.929 ( 0.841 0.000 2.674) 2.803 10.933 ( 1.121 0.000 -2.743) 2.963 11.248 ( 0.868 0.000 0.731) 1.135 11.336 ( 0.086 0.000 -0.321) 0.333 12.381 ( 5.052 0.000 -0.971) 5.144 12.564 ( 2.677 0.000 -1.752) 3.200 12.862 ( -2.118 0.000 -0.593) 2.199 12.884 ( 0.192 0.000 1.045) 1.062 14.073 ( -2.937 0.000 0.293) 2.951 14.194 ( 0.491 0.000 -4.930) 4.955 14.236 ( -1.797 0.000 2.036) 2.716 14.368 ( 1.294 0.000 1.278) 1.818 14.661 ( -1.659 0.000 9.257) 9.405 14.900 ( -2.561 0.000 0.759) 2.671 15.163 ( -2.273 0.000 -4.649) 5.175 15.180 ( -3.038 0.000 1.775) 3.518 15.566 ( -0.313 0.000 -0.115) 0.333 15.675 ( 1.049 0.000 2.641) 2.842 15.724 ( -2.773 0.000 0.478) 2.814 15.748 ( 0.732 0.000 -1.238) 1.438 15.854 ( 2.433 0.000 1.345) 2.780 15.925 ( 2.483 0.000 -1.303) 2.804 16.012 ( 2.386 0.000 -5.388) 5.893 16.359 ( -4.371 0.000 1.350) 4.575 16.726 ( 2.404 0.000 1.601) 2.889 16.796 ( -0.608 0.000 -1.795) 1.895 16.976 ( 0.898 0.000 -1.683) 1.907 16.991 ( 0.642 0.000 2.517) 2.597 17.814 ( 1.406 0.000 2.339) 2.730 17.953 ( -1.963 0.000 -1.391) 2.406 18.097 ( -3.157 0.000 1.003) 3.313 18.130 ( -2.730 0.000 -3.028) 4.077 21.447 ( 1.917 0.000 -1.007) 2.166 21.468 ( -0.194 0.000 3.771) 3.776 21.900 ( -3.582 0.000 1.897) 4.053 21.931 ( -2.426 0.000 -2.570) 3.534 27.213 ( -2.756 0.000 7.859) 8.328 27.249 ( -2.933 0.000 9.787) 10.217 27.347 ( -6.559 0.000 -3.653) 7.507 27.528 ( -9.553 0.000 -6.179) 11.377 28.842 ( 0.709 0.000 1.337) 1.513 28.899 ( -0.411 0.000 -0.880) 0.971 28.914 ( -1.009 0.000 1.939) 2.186 28.981 ( -1.500 0.000 -0.811) 1.706 29.899 ( 1.456 0.000 2.624) 3.001 29.910 ( -1.287 0.000 0.971) 1.613 30.300 ( -3.976 0.000 3.957) 5.609 30.384 ( -3.866 0.000 -5.488) 6.713 30.477 ( 2.760 0.000 0.551) 2.814 30.656 ( 3.523 0.000 0.323) 3.538 31.308 ( -3.910 0.000 2.816) 4.818 31.427 ( 3.200 0.000 1.670) 3.610 31.531 ( 6.481 0.000 -2.341) 6.891 31.588 ( -4.515 0.000 -1.525) 4.765 31.782 ( 0.667 0.000 -1.655) 1.784 32.110 ( 4.993 0.000 3.022) 5.836 32.285 ( 5.703 0.000 -4.134) 7.043 32.439 ( 0.096 0.000 4.083) 4.084 33.341 ( 0.161 0.000 -1.883) 1.890 33.405 ( 5.690 0.000 1.187) 5.812 33.566 ( 2.707 0.000 -4.019) 4.846 33.735 ( -0.813 0.000 2.593) 2.717 34.127 ( 9.151 0.000 8.367) 12.400 34.735 ( 6.293 0.000 -18.487) 19.528 ======================= Grid point 3 (4/88) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 22.384 0.000 -0.210) 22.385 1.922 ( 19.839 0.000 3.483) 20.143 1.982 ( 11.311 0.000 -9.599) 14.835 2.165 ( 13.824 0.000 2.781) 14.101 2.455 ( 1.596 0.000 -9.669) 9.800 2.573 ( 3.303 0.000 7.636) 8.319 2.796 ( -6.166 0.000 6.419) 8.900 2.874 ( -4.359 0.000 0.204) 4.363 2.906 ( 8.341 0.000 6.385) 10.504 2.981 ( 8.883 0.000 1.690) 9.043 3.074 ( -0.854 0.000 0.847) 1.203 3.202 ( -3.981 0.000 -3.536) 5.325 3.312 ( -3.010 0.000 0.768) 3.106 3.373 ( 0.625 0.000 -5.891) 5.924 3.527 ( -2.939 0.000 -6.116) 6.786 3.616 ( 3.040 0.000 4.226) 5.206 3.705 ( 8.509 0.000 7.992) 11.674 3.705 ( -2.608 0.000 -7.208) 7.665 3.786 ( -2.412 0.000 3.515) 4.262 3.808 ( 2.576 0.000 -9.643) 9.981 3.809 ( 1.976 0.000 11.354) 11.524 4.009 ( 9.717 0.000 -6.609) 11.751 4.061 ( 9.989 0.000 -1.258) 10.068 4.099 ( 6.329 0.000 -1.022) 6.411 4.268 ( -1.794 0.000 5.378) 5.670 4.353 ( 2.048 0.000 -4.927) 5.336 4.384 ( 3.576 0.000 5.826) 6.837 4.437 ( -2.010 0.000 -9.531) 9.740 4.575 ( 4.815 0.000 1.021) 4.922 4.718 ( 6.164 0.000 -0.537) 6.187 4.762 ( -4.309 0.000 -1.154) 4.461 4.980 ( 7.897 0.000 3.990) 8.847 5.084 ( 6.602 0.000 -2.797) 7.170 5.242 ( 1.166 0.000 -0.543) 1.287 5.371 ( 1.251 0.000 -4.541) 4.710 5.435 ( -4.523 0.000 0.862) 4.604 5.563 ( -1.884 0.000 5.066) 5.405 5.598 ( -4.086 0.000 -1.492) 4.349 5.799 ( -1.531 0.000 0.814) 1.734 5.864 ( -3.265 0.000 4.518) 5.574 5.980 ( 1.458 0.000 3.611) 3.894 6.249 ( -1.472 0.000 8.481) 8.608 6.271 ( -1.839 0.000 3.573) 4.019 6.421 ( 2.660 0.000 -5.373) 5.995 6.503 ( 0.783 0.000 1.292) 1.511 6.575 ( 2.325 0.000 -0.673) 2.420 6.615 ( -1.511 0.000 0.712) 1.670 6.826 ( 5.474 0.000 -12.265) 13.431 7.227 ( -7.416 0.000 -0.444) 7.430 7.396 ( 0.852 0.000 1.273) 1.532 7.710 ( -1.712 0.000 1.454) 2.246 7.749 ( -6.513 0.000 -0.522) 6.534 7.988 ( 2.732 0.000 7.580) 8.057 7.994 ( -2.703 0.000 -6.244) 6.804 8.450 ( -8.360 0.000 -3.097) 8.915 8.545 ( 3.391 0.000 0.890) 3.506 8.670 ( -3.747 0.000 1.046) 3.891 8.681 ( 0.698 0.000 -1.816) 1.946 9.016 ( -4.149 0.000 2.534) 4.861 9.072 ( -2.344 0.000 -3.276) 4.028 9.547 ( 1.260 0.000 0.786) 1.485 9.628 ( 0.189 0.000 -5.298) 5.301 10.039 ( 0.843 0.000 2.642) 2.773 10.138 ( -3.183 0.000 8.398) 8.982 10.343 ( 2.314 0.000 -8.386) 8.700 10.599 ( 2.228 0.000 2.347) 3.236 10.679 ( -2.570 0.000 2.374) 3.499 10.681 ( -2.387 0.000 -4.143) 4.782 10.916 ( -0.735 0.000 -1.675) 1.829 10.968 ( 0.799 0.000 4.388) 4.460 11.280 ( 1.535 0.000 1.460) 2.119 11.344 ( 0.746 0.000 0.078) 0.750 12.481 ( 6.199 0.000 -0.877) 6.260 12.612 ( 3.434 0.000 -0.819) 3.530 12.814 ( -2.662 0.000 -0.117) 2.664 12.875 ( -1.520 0.000 -0.223) 1.536 14.035 ( -1.495 0.000 0.645) 1.629 14.168 ( 1.091 0.000 -5.396) 5.506 14.215 ( -2.129 0.000 2.109) 2.997 14.407 ( 1.706 0.000 1.481) 2.259 14.701 ( -0.225 0.000 5.481) 5.486 14.878 ( -0.059 0.000 -0.088) 0.106 15.090 ( -1.534 0.000 -4.321) 4.585 15.113 ( -5.422 0.000 1.965) 5.767 15.561 ( -0.023 0.000 -0.638) 0.638 15.666 ( -3.710 0.000 1.358) 3.951 15.716 ( 1.137 0.000 1.520) 1.898 15.767 ( 1.652 0.000 0.009) 1.652 15.919 ( 3.068 0.000 1.632) 3.475 15.946 ( 1.149 0.000 -1.817) 2.150 16.019 ( 1.588 0.000 -2.657) 3.096 16.288 ( -2.918 0.000 -0.468) 2.956 16.786 ( 0.952 0.000 -1.378) 1.675 16.799 ( 2.166 0.000 3.600) 4.202 16.961 ( -0.609 0.000 -2.077) 2.164 17.011 ( -0.765 0.000 2.592) 2.702 17.858 ( 1.159 0.000 2.423) 2.686 17.893 ( -2.678 0.000 -2.421) 3.610 18.052 ( -3.235 0.000 -2.109) 3.862 18.055 ( -2.414 0.000 1.758) 2.987 21.488 ( 3.459 0.000 -1.174) 3.652 21.497 ( 0.752 0.000 2.139) 2.267 21.838 ( -4.433 0.000 1.746) 4.764 21.862 ( -2.589 0.000 -2.631) 3.692 27.190 ( -6.314 0.000 -4.232) 7.601 27.225 ( -1.527 0.000 5.436) 5.646 27.270 ( -2.162 0.000 8.022) 8.308 27.297 ( -8.460 0.000 -7.356) 11.211 28.866 ( 0.561 0.000 1.606) 1.701 28.883 ( -0.359 0.000 -0.970) 1.035 28.912 ( -0.522 0.000 1.109) 1.226 28.945 ( -1.473 0.000 -0.841) 1.696 29.897 ( -0.040 0.000 -0.813) 0.814 29.958 ( 3.051 0.000 1.612) 3.451 30.234 ( -6.358 0.000 -5.306) 8.281 30.248 ( -4.950 0.000 4.214) 6.501 30.572 ( 6.489 0.000 -0.507) 6.508 30.765 ( 7.089 0.000 1.623) 7.273 31.213 ( -7.713 0.000 1.856) 7.934 31.443 ( -7.217 0.000 0.688) 7.250 31.507 ( 2.632 0.000 -1.551) 3.055 31.657 ( 7.300 0.000 -0.101) 7.301 31.797 ( 1.565 0.000 -0.532) 1.653 32.035 ( -4.446 0.000 -6.789) 8.115 32.454 ( -0.640 0.000 0.914) 1.116 32.533 ( 10.981 0.000 7.491) 13.293 33.324 ( 0.402 0.000 -2.892) 2.920 33.530 ( 5.966 0.000 1.238) 6.093 33.621 ( 5.636 0.000 -3.481) 6.624 33.742 ( -0.251 0.000 2.177) 2.192 34.350 ( 6.927 0.000 8.665) 11.093 34.710 ( 3.233 0.000 -11.156) 11.615 ======================= Grid point 4 (5/88) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 17.312 0.000 -1.176) 17.352 2.138 ( 2.936 0.000 -0.318) 2.953 2.204 ( 14.271 0.000 -3.633) 14.726 2.362 ( 5.211 0.000 -6.554) 8.373 2.546 ( 15.366 0.000 0.144) 15.367 2.684 ( -2.061 0.000 6.256) 6.587 2.732 ( -4.621 0.000 6.908) 8.311 2.817 ( 1.229 0.000 -2.935) 3.182 2.941 ( -1.767 0.000 4.438) 4.777 3.018 ( -2.511 0.000 -1.353) 2.853 3.053 ( -5.361 0.000 1.447) 5.553 3.174 ( -11.292 0.000 0.972) 11.333 3.297 ( 11.957 0.000 -2.906) 12.305 3.331 ( 0.467 0.000 -3.742) 3.771 3.412 ( -1.522 0.000 -8.541) 8.675 3.608 ( -5.165 0.000 2.910) 5.929 3.644 ( -1.579 0.000 0.214) 1.594 3.657 ( -9.812 0.000 3.028) 10.269 3.726 ( -2.186 0.000 -6.774) 7.118 3.878 ( 2.543 0.000 7.634) 8.046 3.960 ( 6.772 0.000 1.040) 6.852 4.055 ( 1.827 0.000 0.192) 1.837 4.174 ( 1.657 0.000 2.740) 3.202 4.246 ( 2.792 0.000 -0.682) 2.874 4.307 ( 0.129 0.000 3.456) 3.459 4.317 ( -0.489 0.000 -5.984) 6.004 4.409 ( 3.641 0.000 -5.724) 6.784 4.558 ( 1.065 0.000 0.039) 1.066 4.624 ( -0.780 0.000 1.599) 1.779 4.662 ( 8.125 0.000 2.701) 8.562 4.919 ( 7.138 0.000 -3.601) 7.995 5.140 ( 3.838 0.000 1.524) 4.129 5.225 ( 10.407 0.000 -1.032) 10.458 5.290 ( 7.343 0.000 -0.058) 7.343 5.305 ( -5.210 0.000 -0.551) 5.239 5.366 ( 2.702 0.000 -5.716) 6.322 5.523 ( -2.059 0.000 -0.610) 2.147 5.624 ( 0.998 0.000 8.739) 8.796 5.780 ( -7.709 0.000 3.424) 8.435 5.806 ( 0.943 0.000 -1.140) 1.480 6.046 ( -0.754 0.000 5.438) 5.490 6.281 ( -0.122 0.000 4.180) 4.182 6.283 ( 0.603 0.000 3.928) 3.974 6.399 ( 0.913 0.000 -7.645) 7.700 6.540 ( 2.423 0.000 -0.024) 2.423 6.594 ( -1.820 0.000 -2.274) 2.913 6.615 ( -0.027 0.000 1.067) 1.068 6.806 ( 0.215 0.000 -4.437) 4.442 7.085 ( -4.254 0.000 -3.244) 5.350 7.455 ( 3.054 0.000 1.977) 3.639 7.662 ( -2.693 0.000 1.725) 3.199 7.713 ( 0.136 0.000 2.666) 2.669 7.881 ( -3.990 0.000 -5.762) 7.008 8.085 ( 1.419 0.000 6.493) 6.646 8.297 ( -4.591 0.000 -4.055) 6.125 8.532 ( -1.861 0.000 -3.106) 3.621 8.683 ( 0.656 0.000 -1.378) 1.526 8.709 ( 2.903 0.000 7.047) 7.622 8.967 ( -2.887 0.000 2.361) 3.730 8.974 ( -4.291 0.000 -5.086) 6.654 9.571 ( 0.706 0.000 0.536) 0.886 9.601 ( 0.338 0.000 -2.985) 3.004 10.062 ( 0.062 0.000 1.561) 1.562 10.155 ( -1.683 0.000 6.982) 7.182 10.316 ( 1.540 0.000 -7.273) 7.434 10.606 ( -2.088 0.000 -3.248) 3.862 10.610 ( -0.238 0.000 -1.286) 1.308 10.666 ( -1.141 0.000 1.869) 2.189 10.891 ( -0.853 0.000 -0.432) 0.956 11.025 ( 1.213 0.000 4.244) 4.414 11.319 ( 1.255 0.000 1.266) 1.783 11.359 ( 0.620 0.000 0.188) 0.648 12.589 ( 5.712 0.000 -0.973) 5.795 12.677 ( 3.777 0.000 0.022) 3.777 12.760 ( -3.249 0.000 0.646) 3.312 12.826 ( -3.022 0.000 -0.945) 3.166 14.023 ( -0.448 0.000 0.556) 0.714 14.155 ( 1.559 0.000 -4.338) 4.610 14.191 ( -2.128 0.000 2.275) 3.115 14.450 ( 1.479 0.000 1.197) 1.902 14.733 ( 0.171 0.000 2.631) 2.637 14.894 ( 2.271 0.000 -1.428) 2.682 15.020 ( -5.747 0.000 2.097) 6.118 15.043 ( -0.570 0.000 -2.615) 2.676 15.555 ( -0.090 0.000 -0.426) 0.435 15.611 ( -2.700 0.000 0.985) 2.874 15.741 ( 0.637 0.000 0.495) 0.807 15.800 ( 1.338 0.000 0.366) 1.387 15.949 ( 0.613 0.000 -1.126) 1.282 15.984 ( 2.193 0.000 1.630) 2.733 16.028 ( 0.853 0.000 -1.295) 1.551 16.246 ( -1.255 0.000 -0.559) 1.374 16.808 ( 1.915 0.000 -0.717) 2.045 16.845 ( 0.356 0.000 2.131) 2.160 16.934 ( -0.537 0.000 -1.408) 1.507 17.003 ( -1.585 0.000 1.478) 2.167 17.829 ( -1.938 0.000 -1.862) 2.687 17.893 ( 0.842 0.000 1.934) 2.110 17.984 ( -2.364 0.000 -1.560) 2.832 18.032 ( -1.272 0.000 1.267) 1.796 21.525 ( 0.770 0.000 1.052) 1.304 21.557 ( 4.510 0.000 -1.005) 4.620 21.762 ( -4.790 0.000 1.322) 4.969 21.802 ( -1.735 0.000 -1.670) 2.409 27.068 ( -3.300 0.000 -2.742) 4.291 27.121 ( -4.945 0.000 -4.788) 6.884 27.237 ( -0.713 0.000 3.035) 3.118 27.289 ( -1.114 0.000 4.575) 4.709 28.873 ( -0.069 0.000 -0.503) 0.508 28.886 ( 0.314 0.000 1.505) 1.538 28.910 ( -0.222 0.000 0.081) 0.236 28.916 ( -1.002 0.000 -0.666) 1.203 29.898 ( 0.773 0.000 -0.781) 1.099 30.033 ( 4.115 0.000 0.032) 4.115 30.091 ( -4.686 0.000 -3.450) 5.819 30.182 ( -5.082 0.000 3.278) 6.048 30.704 ( 7.872 0.000 -0.696) 7.902 30.932 ( 8.582 0.000 2.280) 8.880 31.063 ( -8.951 0.000 1.049) 9.012 31.288 ( -7.904 0.000 -1.479) 8.041 31.565 ( 2.758 0.000 1.478) 3.129 31.780 ( 5.022 0.000 0.373) 5.036 31.822 ( 0.906 0.000 0.334) 0.965 31.894 ( -4.775 0.000 -5.735) 7.463 32.437 ( -1.086 0.000 -0.306) 1.129 32.739 ( 5.324 0.000 5.381) 7.570 33.315 ( 0.755 0.000 -2.472) 2.585 33.623 ( 2.911 0.000 0.284) 2.925 33.699 ( 4.196 0.000 -1.732) 4.539 33.765 ( 1.024 0.000 1.832) 2.099 34.503 ( 3.418 0.000 5.176) 6.202 34.687 ( 1.360 0.000 -5.679) 5.839 ======================= Grid point 5 (6/88) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 0.000 0.000 0.000) 0.000 2.272 ( -0.000 0.000 0.000) 0.000 2.353 ( 0.000 0.000 -0.000) 0.000 2.392 ( 0.000 0.000 0.000) 0.000 2.645 ( -0.000 0.000 0.000) 0.000 2.685 ( 0.000 0.000 -0.000) 0.000 2.752 ( -0.000 0.000 0.000) 0.000 2.853 ( 0.000 0.000 0.000) 0.000 2.944 ( 0.000 0.000 -0.000) 0.000 2.944 ( -0.000 0.000 0.000) 0.000 3.010 ( 0.000 0.000 -0.000) 0.000 3.049 ( 0.000 0.000 -0.000) 0.000 3.338 ( 0.000 0.000 0.000) 0.000 3.344 ( -0.000 0.000 -0.000) 0.000 3.470 ( -0.000 0.000 0.000) 0.000 3.474 ( 0.000 0.000 -0.000) 0.000 3.573 ( 0.000 0.000 0.000) 0.000 3.649 ( 0.000 0.000 0.000) 0.000 3.654 ( 0.000 0.000 -0.000) 0.000 3.937 ( 0.000 0.000 -0.000) 0.000 4.051 ( -0.000 0.000 0.000) 0.000 4.082 ( 0.000 0.000 0.000) 0.000 4.196 ( 0.000 0.000 0.000) 0.000 4.243 ( -0.000 0.000 0.000) 0.000 4.291 ( 0.000 0.000 0.000) 0.000 4.306 ( -0.000 0.000 0.000) 0.000 4.394 ( 0.000 0.000 0.000) 0.000 4.564 ( 0.000 0.000 0.000) 0.000 4.609 ( 0.000 0.000 0.000) 0.000 4.812 ( 0.000 0.000 0.000) 0.000 4.938 ( 0.000 0.000 0.000) 0.000 5.179 ( 0.000 0.000 -0.000) 0.000 5.238 ( 0.000 0.000 0.000) 0.000 5.359 ( -0.000 0.000 0.000) 0.000 5.364 ( 0.000 0.000 -0.000) 0.000 5.412 ( -0.000 0.000 -0.000) 0.000 5.556 ( 0.000 0.000 -0.000) 0.000 5.655 ( -0.000 0.000 0.000) 0.000 5.699 ( 0.000 0.000 0.000) 0.000 5.796 ( -0.000 0.000 -0.000) 0.000 6.051 ( 0.000 0.000 0.000) 0.000 6.299 ( 0.000 0.000 0.000) 0.000 6.342 ( 0.000 0.000 0.000) 0.000 6.367 ( 0.000 0.000 -0.000) 0.000 6.497 ( 0.000 0.000 0.000) 0.000 6.569 ( -0.000 0.000 0.000) 0.000 6.618 ( 0.000 0.000 0.000) 0.000 6.801 ( 0.000 0.000 -0.000) 0.000 7.037 ( 0.000 0.000 0.000) 0.000 7.494 ( 0.000 0.000 0.000) 0.000 7.670 ( 0.000 0.000 0.000) 0.000 7.730 ( 0.000 0.000 -0.000) 0.000 7.795 ( 0.000 0.000 0.000) 0.000 8.129 ( 0.000 0.000 0.000) 0.000 8.231 ( 0.000 0.000 0.000) 0.000 8.497 ( 0.000 0.000 0.000) 0.000 8.684 ( 0.000 0.000 -0.000) 0.000 8.811 ( -0.000 0.000 -0.000) 0.000 8.867 ( 0.000 0.000 0.000) 0.000 8.948 ( 0.000 0.000 0.000) 0.000 9.580 ( 0.000 0.000 0.000) 0.000 9.593 ( 0.000 0.000 0.000) 0.000 10.069 ( 0.000 0.000 0.000) 0.000 10.169 ( 0.000 0.000 0.000) 0.000 10.300 ( 0.000 0.000 0.000) 0.000 10.571 ( 0.000 0.000 0.000) 0.000 10.601 ( -0.000 0.000 0.000) 0.000 10.661 ( 0.000 0.000 0.000) 0.000 10.881 ( 0.000 0.000 0.000) 0.000 11.056 ( 0.000 0.000 0.000) 0.000 11.337 ( 0.000 0.000 0.000) 0.000 11.367 ( 0.000 0.000 -0.000) 0.000 12.658 ( 0.000 0.000 0.000) 0.000 12.714 ( -0.000 0.000 0.000) 0.000 12.743 ( -0.000 0.000 -0.000) 0.000 12.763 ( 0.000 0.000 0.000) 0.000 14.021 ( 0.000 0.000 0.000) 0.000 14.155 ( -0.000 0.000 0.000) 0.000 14.177 ( 0.000 0.000 -0.000) 0.000 14.470 ( 0.000 0.000 0.000) 0.000 14.745 ( 0.000 0.000 0.000) 0.000 14.935 ( -0.000 0.000 0.000) 0.000 14.947 ( 0.000 0.000 -0.000) 0.000 15.028 ( 0.000 0.000 0.000) 0.000 15.552 ( 0.000 0.000 0.000) 0.000 15.588 ( 0.000 0.000 0.000) 0.000 15.749 ( 0.000 0.000 0.000) 0.000 15.814 ( 0.000 0.000 0.000) 0.000 15.952 ( 0.000 0.000 0.000) 0.000 16.014 ( 0.000 0.000 0.000) 0.000 16.029 ( 0.000 0.000 -0.000) 0.000 16.232 ( 0.000 0.000 0.000) 0.000 16.828 ( 0.000 0.000 0.000) 0.000 16.854 ( 0.000 0.000 -0.000) 0.000 16.924 ( 0.000 0.000 0.000) 0.000 16.989 ( 0.000 0.000 0.000) 0.000 17.802 ( 0.000 0.000 0.000) 0.000 17.915 ( 0.000 0.000 0.000) 0.000 17.948 ( 0.000 0.000 0.000) 0.000 18.025 ( 0.000 0.000 0.000) 0.000 21.537 ( 0.000 0.000 0.000) 0.000 21.615 ( 0.000 0.000 0.000) 0.000 21.703 ( -0.000 0.000 0.000) 0.000 21.778 ( 0.000 0.000 0.000) 0.000 27.032 ( 0.000 0.000 0.000) 0.000 27.048 ( 0.000 0.000 0.000) 0.000 27.243 ( 0.000 0.000 0.000) 0.000 27.296 ( 0.000 0.000 0.000) 0.000 28.871 ( 0.000 0.000 0.000) 0.000 28.898 ( 0.000 0.000 -0.000) 0.000 28.902 ( 0.000 0.000 0.000) 0.000 28.905 ( 0.000 0.000 0.000) 0.000 29.906 ( -0.000 0.000 0.000) 0.000 30.027 ( 0.000 0.000 0.000) 0.000 30.107 ( 0.000 0.000 -0.000) 0.000 30.112 ( -0.000 0.000 0.000) 0.000 30.817 ( 0.000 0.000 0.000) 0.000 30.940 ( -0.000 0.000 0.000) 0.000 31.084 ( 0.000 0.000 -0.000) 0.000 31.149 ( -0.000 0.000 0.000) 0.000 31.609 ( 0.000 0.000 0.000) 0.000 31.811 ( 0.000 0.000 0.000) 0.000 31.831 ( 0.000 0.000 -0.000) 0.000 31.832 ( -0.000 0.000 0.000) 0.000 32.422 ( 0.000 0.000 0.000) 0.000 32.810 ( 0.000 0.000 0.000) 0.000 33.312 ( 0.000 0.000 0.000) 0.000 33.649 ( 0.000 0.000 0.000) 0.000 33.735 ( 0.000 0.000 -0.000) 0.000 33.788 ( 0.000 0.000 0.000) 0.000 34.555 ( 0.000 0.000 0.000) 0.000 34.677 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/88) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 0.000 27.914 0.000) 27.914 0.712 ( 0.000 34.331 0.000) 34.331 1.110 ( 0.000 51.576 0.000) 51.576 1.748 ( 0.000 4.301 0.000) 4.301 2.299 ( 0.000 7.510 0.000) 7.510 2.419 ( 0.000 -17.804 0.000) 17.804 2.471 ( 0.000 -7.398 0.000) 7.398 2.690 ( 0.000 -0.437 0.000) 0.437 2.778 ( 0.000 0.534 0.000) 0.534 2.929 ( 0.000 -2.321 0.000) 2.321 3.058 ( 0.000 -1.879 0.000) 1.879 3.159 ( 0.000 -1.377 0.000) 1.377 3.197 ( 0.000 -1.676 0.000) 1.676 3.272 ( 0.000 -3.287 0.000) 3.287 3.292 ( 0.000 3.168 0.000) 3.168 3.395 ( 0.000 6.840 0.000) 6.840 3.415 ( 0.000 0.240 0.000) 0.240 3.476 ( 0.000 -1.565 0.000) 1.565 3.642 ( 0.000 0.043 0.000) 0.043 3.721 ( 0.000 0.917 0.000) 0.917 3.847 ( 0.000 -2.756 0.000) 2.756 3.917 ( 0.000 -8.757 0.000) 8.757 4.013 ( 0.000 -6.408 0.000) 6.408 4.089 ( 0.000 7.404 0.000) 7.404 4.251 ( 0.000 -3.913 0.000) 3.913 4.330 ( 0.000 2.892 0.000) 2.892 4.393 ( 0.000 -1.974 0.000) 1.974 4.570 ( 0.000 -2.817 0.000) 2.817 4.613 ( 0.000 11.698 0.000) 11.698 4.765 ( 0.000 -8.668 0.000) 8.668 4.803 ( 0.000 7.843 0.000) 7.843 4.915 ( 0.000 5.255 0.000) 5.255 4.919 ( 0.000 9.443 0.000) 9.443 4.951 ( 0.000 4.590 0.000) 4.590 5.159 ( 0.000 -5.147 0.000) 5.147 5.252 ( 0.000 -6.055 0.000) 6.055 5.252 ( 0.000 5.953 0.000) 5.953 5.605 ( 0.000 -7.352 0.000) 7.352 5.796 ( 0.000 -9.182 0.000) 9.182 5.818 ( 0.000 -7.643 0.000) 7.643 6.075 ( 0.000 -5.601 0.000) 5.601 6.291 ( 0.000 -3.540 0.000) 3.540 6.301 ( 0.000 0.599 0.000) 0.599 6.407 ( 0.000 -4.808 0.000) 4.808 6.552 ( 0.000 -0.045 0.000) 0.045 6.787 ( 0.000 1.638 0.000) 1.638 6.821 ( 0.000 8.648 0.000) 8.648 6.931 ( 0.000 4.897 0.000) 4.897 7.267 ( 0.000 14.519 0.000) 14.519 7.424 ( 0.000 -6.387 0.000) 6.387 7.663 ( 0.000 -1.464 0.000) 1.464 7.807 ( 0.000 -1.050 0.000) 1.050 8.226 ( 0.000 -1.861 0.000) 1.861 8.288 ( 0.000 -2.134 0.000) 2.134 8.342 ( 0.000 18.115 0.000) 18.115 8.632 ( 0.000 -7.895 0.000) 7.895 8.770 ( 0.000 -7.526 0.000) 7.526 8.785 ( 0.000 -7.864 0.000) 7.864 9.043 ( 0.000 -0.159 0.000) 0.159 9.051 ( 0.000 -6.249 0.000) 6.249 9.566 ( 0.000 6.532 0.000) 6.532 9.850 ( 0.000 11.696 0.000) 11.696 9.920 ( 0.000 -1.666 0.000) 1.666 10.287 ( 0.000 -0.675 0.000) 0.675 10.316 ( 0.000 1.733 0.000) 1.733 10.322 ( 0.000 3.052 0.000) 3.052 10.682 ( 0.000 -7.357 0.000) 7.357 10.779 ( 0.000 -3.246 0.000) 3.246 10.853 ( 0.000 -1.549 0.000) 1.549 10.955 ( 0.000 3.679 0.000) 3.679 11.171 ( 0.000 -5.980 0.000) 5.980 11.298 ( 0.000 -4.780 0.000) 4.780 12.382 ( 0.000 6.738 0.000) 6.738 12.460 ( 0.000 5.167 0.000) 5.167 12.828 ( 0.000 -1.564 0.000) 1.564 12.906 ( 0.000 -0.870 0.000) 0.870 14.105 ( 0.000 -3.834 0.000) 3.834 14.234 ( 0.000 -0.075 0.000) 0.075 14.260 ( 0.000 0.997 0.000) 0.997 14.471 ( 0.000 -5.034 0.000) 5.034 14.546 ( 0.000 -1.303 0.000) 1.303 15.126 ( 0.000 -11.989 0.000) 11.989 15.267 ( 0.000 5.392 0.000) 5.392 15.506 ( 0.000 -4.174 0.000) 4.174 15.689 ( 0.000 5.419 0.000) 5.419 15.726 ( 0.000 -1.310 0.000) 1.310 15.804 ( 0.000 4.668 0.000) 4.668 15.814 ( 0.000 3.529 0.000) 3.529 15.851 ( 0.000 2.468 0.000) 2.468 15.968 ( 0.000 2.803 0.000) 2.803 16.284 ( 0.000 -2.107 0.000) 2.107 16.305 ( 0.000 -6.292 0.000) 6.292 16.641 ( 0.000 0.945 0.000) 0.945 16.817 ( 0.000 -2.831 0.000) 2.831 16.847 ( 0.000 -0.912 0.000) 0.912 16.972 ( 0.000 1.000 0.000) 1.000 17.765 ( 0.000 0.935 0.000) 0.935 18.064 ( 0.000 0.523 0.000) 0.523 18.128 ( 0.000 -3.198 0.000) 3.198 18.160 ( 0.000 -1.043 0.000) 1.043 21.462 ( 0.000 8.386 0.000) 8.386 21.543 ( 0.000 2.329 0.000) 2.329 21.951 ( 0.000 -0.488 0.000) 0.488 22.018 ( 0.000 1.030 0.000) 1.030 27.123 ( 0.000 1.511 0.000) 1.511 27.217 ( 0.000 -0.416 0.000) 0.416 27.838 ( 0.000 4.992 0.000) 4.992 28.326 ( 0.000 -2.706 0.000) 2.706 28.806 ( 0.000 -0.649 0.000) 0.649 28.843 ( 0.000 -2.832 0.000) 2.832 29.003 ( 0.000 4.738 0.000) 4.738 29.287 ( 0.000 -1.762 0.000) 1.762 29.877 ( 0.000 1.490 0.000) 1.490 29.977 ( 0.000 0.010 0.000) 0.010 30.401 ( 0.000 1.831 0.000) 1.831 30.409 ( 0.000 3.631 0.000) 3.631 30.556 ( 0.000 0.009 0.000) 0.009 30.631 ( 0.000 0.741 0.000) 0.741 31.231 ( 0.000 -2.847 0.000) 2.847 31.386 ( 0.000 -6.079 0.000) 6.079 31.608 ( 0.000 1.440 0.000) 1.440 31.657 ( 0.000 0.136 0.000) 0.136 31.814 ( 0.000 -0.029 0.000) 0.029 31.825 ( 0.000 0.108 0.000) 0.108 32.360 ( 0.000 -0.997 0.000) 0.997 32.408 ( 0.000 -3.172 0.000) 3.172 32.557 ( 0.000 3.480 0.000) 3.480 33.101 ( 0.000 -11.624 0.000) 11.624 33.670 ( 0.000 8.902 0.000) 8.902 33.808 ( 0.000 1.106 0.000) 1.106 33.898 ( 0.000 4.413 0.000) 4.413 34.397 ( 0.000 -3.519 0.000) 3.519 ======================= Grid point 12 (8/88) ======================= q-point: ( 0.10 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 22.063 18.538 9.443) 30.325 0.934 ( 15.523 21.055 16.500) 30.927 1.534 ( 34.549 31.719 2.974) 46.996 1.773 ( 9.795 4.046 -6.254) 12.305 2.158 ( -4.733 -2.854 -14.663) 15.670 2.471 ( 7.504 -4.877 -1.100) 9.017 2.581 ( 1.326 -0.051 8.749) 8.849 2.722 ( 0.639 -2.813 -2.268) 3.670 2.805 ( 5.789 -3.414 8.945) 11.188 2.930 ( -2.412 0.400 -0.359) 2.472 3.085 ( 3.724 -6.106 3.044) 7.773 3.196 ( 4.519 -1.681 3.004) 5.681 3.244 ( -0.437 1.788 -0.684) 1.963 3.301 ( 6.714 0.721 -0.067) 6.753 3.340 ( 3.383 -4.828 0.431) 5.910 3.396 ( -1.318 3.371 -3.267) 4.876 3.449 ( 4.079 8.145 -6.228) 11.035 3.459 ( 2.128 -0.430 4.002) 4.552 3.622 ( 1.450 2.156 -2.340) 3.497 3.789 ( 3.621 -1.234 -1.952) 4.295 3.819 ( -5.549 -5.918 1.627) 8.274 3.842 ( -0.902 -6.881 0.731) 6.978 4.073 ( 2.464 5.123 3.057) 6.455 4.106 ( 2.897 -2.565 0.984) 3.992 4.240 ( -2.567 -2.069 0.635) 3.357 4.323 ( 0.516 2.247 -3.055) 3.827 4.363 ( -2.595 -3.885 -0.518) 4.700 4.560 ( -1.813 9.004 0.427) 9.195 4.613 ( 2.033 0.122 1.060) 2.296 4.693 ( -2.500 -2.411 -4.872) 5.984 4.827 ( -1.014 4.407 6.898) 8.248 4.956 ( 1.899 6.399 3.642) 7.604 4.986 ( 0.481 2.215 -0.622) 2.350 5.147 ( 7.132 1.564 5.040) 8.872 5.170 ( 4.874 -1.423 -8.678) 10.055 5.345 ( 5.818 -1.336 1.209) 6.090 5.374 ( 9.458 -12.381 4.504) 16.218 5.582 ( 2.278 -5.432 -3.577) 6.892 5.796 ( 0.217 -12.557 1.172) 12.613 5.825 ( -1.435 -5.293 2.770) 6.144 6.035 ( -2.625 -5.590 -4.300) 7.525 6.186 ( -9.937 -0.006 1.665) 10.076 6.306 ( 0.747 -3.169 1.193) 3.467 6.377 ( -4.686 -1.537 2.501) 5.530 6.525 ( -1.039 1.152 -1.563) 2.202 6.762 ( -8.549 3.450 8.715) 12.687 6.769 ( -2.463 5.465 0.182) 5.997 6.908 ( 6.601 13.825 -12.270) 19.628 7.324 ( -2.342 0.020 3.739) 4.412 7.394 ( -0.115 -3.759 -2.069) 4.292 7.616 ( -2.474 0.114 1.401) 2.845 7.839 ( 2.982 -0.580 -1.964) 3.618 8.177 ( -7.347 0.038 -2.154) 7.656 8.325 ( 3.354 -0.732 1.979) 3.962 8.367 ( 3.039 12.515 -2.384) 13.097 8.591 ( -3.764 -5.239 2.462) 6.905 8.707 ( -4.628 -5.588 2.518) 7.681 8.768 ( -1.306 -8.426 -4.713) 9.742 9.007 ( -1.453 -5.706 0.492) 5.909 9.121 ( 4.083 -1.138 -1.916) 4.651 9.562 ( -0.460 6.024 -0.079) 6.042 9.838 ( 0.021 11.280 -3.228) 11.732 9.972 ( 1.768 -0.036 4.410) 4.752 10.239 ( -6.872 2.306 6.577) 9.788 10.341 ( 3.572 0.771 -0.377) 3.674 10.374 ( 4.067 1.115 -0.534) 4.251 10.691 ( 1.195 -6.924 -2.055) 7.321 10.790 ( -0.017 -2.614 -0.577) 2.677 10.818 ( -2.130 -1.920 0.578) 2.925 10.956 ( 1.169 2.195 -2.349) 3.421 11.173 ( 0.251 -6.111 -0.092) 6.117 11.292 ( -0.174 -4.818 -0.711) 4.873 12.398 ( 2.033 6.927 -0.422) 7.231 12.517 ( 3.994 2.181 0.651) 4.597 12.839 ( 0.501 -1.783 0.883) 2.052 12.897 ( -0.667 -0.577 -0.380) 0.960 14.094 ( -1.697 -3.341 1.126) 3.913 14.202 ( -2.629 -0.527 -0.215) 2.690 14.254 ( -0.166 1.003 -1.826) 2.090 14.416 ( -2.167 -0.934 -3.662) 4.356 14.580 ( -0.561 -2.806 7.695) 8.210 15.049 ( -5.306 -8.170 -5.650) 11.261 15.247 ( -2.572 3.559 1.037) 4.512 15.414 ( -13.517 12.722 1.043) 18.592 15.553 ( -3.476 0.948 -0.133) 3.606 15.701 ( -4.316 3.824 0.679) 5.806 15.782 ( 2.427 2.555 -0.363) 3.542 15.805 ( 0.014 4.347 -0.129) 4.349 15.857 ( 0.144 2.342 1.134) 2.607 15.958 ( -0.753 6.535 2.285) 6.963 16.062 ( 0.657 4.151 -11.449) 12.196 16.330 ( 0.189 -5.165 2.170) 5.605 16.741 ( -2.005 0.570 -2.337) 3.132 16.773 ( 1.684 -4.388 0.560) 4.734 16.858 ( 2.099 -2.535 1.015) 3.444 17.009 ( 1.658 0.363 -1.005) 1.972 17.758 ( 0.299 -0.402 0.511) 0.715 18.010 ( -2.730 1.217 0.148) 2.992 18.133 ( -1.791 -1.549 0.015) 2.368 18.142 ( -0.488 -3.730 -3.479) 5.124 21.466 ( -0.105 5.859 1.122) 5.966 21.541 ( -1.119 5.081 3.050) 6.031 21.933 ( -2.372 -0.752 1.325) 2.819 21.989 ( -2.087 0.503 -1.306) 2.513 27.155 ( -0.711 -0.286 7.663) 7.701 27.219 ( -1.139 -0.407 3.227) 3.446 27.756 ( -7.307 4.792 -3.224) 9.314 27.906 ( -24.074 16.236 -5.630) 29.578 28.812 ( 0.343 -0.768 0.677) 1.080 28.849 ( 0.365 -2.529 0.540) 2.612 28.994 ( -1.347 4.157 0.809) 4.444 29.099 ( -6.944 5.297 -0.997) 8.790 29.885 ( 0.302 1.925 1.728) 2.604 29.940 ( -3.589 1.060 5.620) 6.752 30.359 ( -3.818 1.372 1.398) 4.291 30.437 ( 2.292 4.044 -0.722) 4.705 30.513 ( -3.824 -0.472 -0.364) 3.870 30.636 ( 0.780 1.204 -0.225) 1.452 31.276 ( 2.631 -3.196 -0.015) 4.140 31.372 ( 1.906 -4.131 -1.975) 4.960 31.489 ( -2.185 6.362 -1.781) 6.958 31.667 ( 0.191 1.792 -0.642) 1.913 31.791 ( -1.181 -0.598 -2.377) 2.721 31.838 ( 9.839 -1.196 2.905) 10.329 32.366 ( -1.069 0.415 0.497) 1.250 32.467 ( -1.878 4.450 5.366) 7.220 33.106 ( 22.358 -17.800 0.510) 28.583 33.139 ( 5.827 -12.405 -0.921) 13.736 33.656 ( -1.704 7.174 -0.645) 7.401 33.790 ( -1.553 3.267 1.658) 3.979 33.911 ( 3.242 1.822 1.337) 3.952 34.533 ( 13.226 -11.944 -13.808) 22.545 ======================= Grid point 13 (9/88) ======================= q-point: ( 0.20 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 19.117 9.909 7.005) 22.643 1.496 ( 24.894 8.364 11.018) 28.479 1.895 ( 12.240 1.369 -2.505) 12.568 1.954 ( 4.148 -2.096 -14.891) 15.600 2.343 ( 27.213 14.115 4.873) 31.041 2.568 ( -0.284 4.122 3.616) 5.491 2.619 ( 7.140 -0.506 -6.207) 9.474 2.813 ( 5.221 -3.646 5.746) 8.577 2.904 ( -2.739 2.450 3.424) 5.023 2.979 ( 4.855 -1.903 5.942) 7.906 3.143 ( -1.138 -6.092 2.217) 6.582 3.197 ( -0.883 -2.632 0.967) 2.940 3.290 ( 1.853 -0.155 -0.313) 1.886 3.362 ( 3.087 -4.205 -3.225) 6.133 3.369 ( 0.799 2.774 2.058) 3.546 3.431 ( 1.101 -0.984 -2.992) 3.337 3.531 ( 9.045 1.807 1.640) 9.368 3.636 ( 10.818 3.548 0.742) 11.409 3.701 ( 2.352 -3.299 -5.765) 7.046 3.706 ( 4.681 -0.540 2.217) 5.207 3.771 ( -0.483 -6.059 -6.978) 9.254 3.920 ( 4.090 -0.910 1.454) 4.435 4.127 ( 1.503 4.409 -3.366) 5.747 4.194 ( -1.734 4.279 1.846) 4.972 4.203 ( 4.060 -3.169 4.121) 6.596 4.295 ( -0.161 2.449 -2.851) 3.762 4.344 ( 4.283 -1.980 -3.702) 5.997 4.524 ( -1.739 7.211 1.185) 7.512 4.603 ( -3.412 0.101 -2.403) 4.175 4.672 ( 1.219 1.156 0.273) 1.702 4.877 ( 0.964 6.774 4.181) 8.018 4.983 ( -1.377 2.965 1.756) 3.711 4.988 ( 4.311 2.413 -4.844) 6.919 5.210 ( 5.730 -2.712 -7.459) 9.789 5.264 ( 2.668 0.492 2.960) 4.015 5.435 ( 2.236 -1.078 2.334) 3.408 5.485 ( -0.761 -8.901 7.720) 11.807 5.664 ( 4.204 -1.027 -0.475) 4.353 5.778 ( -3.177 -3.477 2.885) 5.523 5.859 ( 2.672 -15.086 2.199) 15.477 5.913 ( -4.694 -5.771 -5.640) 9.335 6.036 ( -7.328 -1.428 3.321) 8.172 6.316 ( -3.411 -3.826 3.636) 6.285 6.334 ( 1.432 -2.336 0.921) 2.890 6.504 ( 0.080 1.325 -1.608) 2.085 6.665 ( -4.634 6.972 2.003) 8.608 6.716 ( -4.215 2.333 0.277) 4.825 6.959 ( 7.776 13.080 -11.486) 19.065 7.243 ( -6.694 -5.704 4.952) 10.093 7.372 ( -1.611 0.202 -1.850) 2.462 7.629 ( 0.910 -1.518 2.303) 2.905 7.853 ( -1.532 -1.445 -1.204) 2.426 8.030 ( -4.696 3.116 0.497) 5.657 8.300 ( -4.405 11.094 -2.623) 12.221 8.428 ( 1.681 -4.347 1.387) 4.862 8.571 ( -0.125 -0.898 1.801) 2.017 8.623 ( -4.088 -4.994 -3.230) 7.216 8.707 ( -2.051 -4.709 -0.794) 5.197 8.977 ( -2.215 -6.760 0.291) 7.119 9.162 ( 1.277 0.968 -1.135) 1.964 9.546 ( -0.873 4.366 -0.681) 4.505 9.804 ( 0.130 10.609 -5.096) 11.770 10.030 ( 0.912 2.396 4.182) 4.906 10.175 ( -5.575 2.364 7.750) 9.835 10.360 ( 2.776 1.254 -7.821) 8.393 10.498 ( 4.316 0.406 7.269) 8.463 10.685 ( -0.135 -5.403 -2.244) 5.852 10.730 ( -3.283 0.053 -0.975) 3.425 10.838 ( 0.583 -5.461 3.195) 6.354 10.943 ( -0.297 -0.758 -3.693) 3.781 11.182 ( 0.571 -6.462 0.596) 6.514 11.292 ( 0.787 -4.274 -0.469) 4.372 12.448 ( 3.622 5.686 -0.663) 6.774 12.592 ( 3.862 3.136 -0.260) 4.982 12.835 ( -1.594 -1.993 -0.110) 2.555 12.891 ( 0.087 -0.022 0.292) 0.305 14.061 ( -2.531 -1.391 1.298) 3.166 14.155 ( -1.593 -2.648 -0.711) 3.171 14.228 ( -0.561 0.566 -2.540) 2.662 14.376 ( -0.275 -0.956 -0.536) 1.130 14.633 ( 0.302 -2.289 6.540) 6.935 14.913 ( -3.330 -3.230 -5.053) 6.860 15.184 ( -4.588 2.952 0.872) 5.525 15.261 ( -4.738 8.904 1.230) 10.161 15.534 ( -0.333 -2.251 0.014) 2.276 15.661 ( -0.922 0.756 -0.162) 1.203 15.780 ( -1.944 4.317 0.647) 4.778 15.818 ( 1.110 3.934 -0.086) 4.088 15.881 ( 1.410 1.416 1.123) 2.293 15.977 ( 1.612 5.383 -0.196) 5.622 16.034 ( 1.485 1.407 -4.600) 5.035 16.327 ( -2.321 -2.745 1.899) 4.066 16.725 ( 2.024 0.355 -0.280) 2.074 16.779 ( 0.073 -1.382 -0.848) 1.623 16.913 ( 1.714 -3.689 1.522) 4.343 17.012 ( -0.428 -0.181 -0.540) 0.713 17.786 ( 1.442 -1.924 1.664) 2.924 17.962 ( -2.637 0.521 -0.531) 2.740 18.077 ( -3.271 -2.739 -1.013) 4.385 18.092 ( -2.604 -2.625 -1.001) 3.831 21.478 ( 0.799 3.966 0.476) 4.073 21.551 ( -0.054 6.038 2.183) 6.421 21.886 ( -3.918 -1.320 1.884) 4.543 21.929 ( -2.550 -0.203 -2.348) 3.473 27.193 ( -1.392 -0.784 7.030) 7.210 27.224 ( -1.745 -0.574 4.913) 5.245 27.514 ( -12.904 9.974 -2.948) 16.574 27.568 ( -11.005 4.033 -5.588) 12.985 28.828 ( 0.546 -1.010 1.004) 1.525 28.863 ( 0.660 -1.634 0.379) 1.802 28.968 ( -1.830 3.204 0.483) 3.721 29.014 ( -2.748 2.618 -0.630) 3.848 29.911 ( 0.646 1.148 2.481) 2.809 29.924 ( -1.010 1.222 1.266) 2.029 30.300 ( -4.388 0.155 3.215) 5.442 30.386 ( -5.754 -0.279 -4.135) 7.091 30.513 ( 4.086 3.629 0.086) 5.466 30.674 ( 3.569 1.595 0.456) 3.936 31.276 ( -2.826 -2.743 1.292) 4.145 31.423 ( 2.398 -7.174 -1.598) 7.731 31.486 ( 1.865 4.610 0.257) 4.980 31.660 ( 0.021 4.195 -1.459) 4.441 31.764 ( 0.515 -1.660 -1.674) 2.413 32.077 ( 7.868 -3.651 5.314) 10.172 32.322 ( 2.153 5.212 -6.479) 8.589 32.520 ( 2.261 6.469 5.356) 8.697 33.207 ( 4.563 -8.570 -2.037) 9.920 33.388 ( 8.968 -7.276 -0.025) 11.548 33.617 ( -0.530 5.686 -1.194) 5.834 33.792 ( -0.071 5.037 2.119) 5.465 34.044 ( 7.431 -6.225 4.993) 10.904 34.616 ( 7.158 -9.736 -11.957) 17.000 ======================= Grid point 14 (10/88) ======================= q-point: ( 0.30 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 15.991 0.933 1.511) 16.089 1.941 ( 15.810 2.119 -1.734) 16.046 2.066 ( 17.626 5.653 -1.613) 18.580 2.155 ( 15.743 0.198 -0.700) 15.760 2.515 ( -1.305 4.953 -4.042) 6.525 2.634 ( 4.311 3.646 3.956) 6.894 2.753 ( 2.794 -2.149 2.235) 4.174 2.855 ( -3.116 -1.457 3.278) 4.751 3.000 ( 5.876 0.713 -0.549) 5.944 3.024 ( -5.099 7.047 1.336) 8.800 3.103 ( 4.043 2.605 1.926) 5.181 3.218 ( -4.235 2.631 -1.493) 5.205 3.304 ( 1.149 -3.104 -1.517) 3.641 3.321 ( -3.400 -3.515 -0.920) 4.976 3.400 ( 1.781 -4.070 0.825) 4.518 3.493 ( 3.370 -8.144 0.717) 8.843 3.623 ( -0.970 -5.006 -4.654) 6.904 3.693 ( 3.274 -3.662 2.629) 5.571 3.757 ( 2.965 -1.262 0.315) 3.238 3.787 ( 1.890 -1.773 0.410) 2.624 3.898 ( 7.433 7.265 1.170) 10.459 4.012 ( 6.982 -1.127 -3.533) 7.906 4.110 ( 1.650 0.358 -1.885) 2.531 4.213 ( 1.390 4.817 1.562) 5.251 4.245 ( 1.720 0.070 -0.475) 1.786 4.327 ( 5.410 3.193 0.152) 6.284 4.442 ( 6.983 3.559 -6.034) 9.891 4.514 ( -4.324 3.576 0.201) 5.615 4.583 ( 2.187 4.328 2.127) 5.295 4.703 ( 8.730 0.221 -1.418) 8.847 4.849 ( -5.224 5.838 -1.621) 8.000 5.027 ( 5.377 3.283 4.912) 7.989 5.097 ( 8.682 1.559 -3.991) 9.682 5.224 ( -0.653 -3.009 -2.118) 3.737 5.334 ( 4.598 -0.696 -2.774) 5.415 5.441 ( -4.751 -1.071 5.504) 7.349 5.516 ( 0.033 -2.644 3.495) 4.382 5.609 ( -5.923 -0.852 0.784) 6.035 5.788 ( -3.757 -5.283 3.697) 7.463 5.844 ( -1.091 -0.488 -0.403) 1.261 5.883 ( 0.872 -9.290 2.206) 9.588 6.031 ( 5.709 -8.505 0.422) 10.252 6.288 ( -3.171 -4.610 4.094) 6.933 6.383 ( 3.517 -4.154 -1.526) 5.653 6.507 ( 1.219 1.391 -0.855) 2.038 6.610 ( -3.897 1.609 0.840) 4.299 6.654 ( 0.248 5.733 -2.034) 6.088 7.004 ( 5.636 13.035 -10.309) 17.549 7.170 ( -6.123 -5.015 5.212) 9.476 7.320 ( -1.323 -0.336 -2.298) 2.673 7.640 ( -1.536 -2.775 0.357) 3.191 7.788 ( -3.313 0.708 2.742) 4.359 8.024 ( 0.007 1.696 3.842) 4.200 8.179 ( -5.528 9.896 -1.044) 11.383 8.406 ( -2.930 -1.895 -3.029) 4.621 8.522 ( -3.145 -7.987 -4.198) 9.555 8.610 ( 1.766 1.530 2.084) 3.131 8.686 ( -0.208 -1.524 1.040) 1.857 8.932 ( -2.852 -5.479 1.144) 6.282 9.145 ( -2.090 2.370 -1.271) 3.406 9.525 ( -0.508 2.638 -1.201) 2.942 9.776 ( 0.730 10.147 -3.877) 10.887 10.069 ( 0.281 2.209 2.795) 3.573 10.150 ( -3.770 1.491 8.303) 9.240 10.339 ( 1.887 0.447 -8.538) 8.755 10.582 ( 0.828 -2.314 -0.765) 2.574 10.641 ( -2.008 -2.588 -3.328) 4.670 10.702 ( -1.076 2.122 4.903) 5.450 10.869 ( 0.147 -4.376 0.839) 4.458 10.911 ( -0.291 -4.538 1.209) 4.705 11.203 ( 0.866 -7.050 1.095) 7.187 11.313 ( 1.427 -3.666 0.123) 3.936 12.520 ( 4.399 3.536 -0.704) 5.688 12.662 ( 3.892 4.305 -0.351) 5.814 12.792 ( -2.509 -1.569 -0.223) 2.967 12.887 ( -0.796 0.595 -0.100) 0.999 14.030 ( -1.630 -0.457 1.057) 1.996 14.130 ( -0.357 -3.657 -1.414) 3.937 14.200 ( -0.547 0.037 -1.691) 1.778 14.388 ( 1.087 -2.135 0.938) 2.573 14.690 ( 1.116 -1.038 4.505) 4.756 14.852 ( 0.300 -2.895 -3.984) 4.934 15.104 ( -4.380 2.260 0.541) 4.959 15.185 ( -4.804 5.586 0.679) 7.399 15.530 ( -0.012 -1.050 -0.227) 1.074 15.655 ( 0.076 -2.163 0.451) 2.211 15.743 ( -2.243 5.167 0.538) 5.658 15.843 ( 1.435 3.949 0.595) 4.244 15.918 ( 1.661 0.004 0.266) 1.682 16.010 ( 2.161 5.124 -0.446) 5.579 16.031 ( 0.557 0.936 -1.516) 1.866 16.287 ( -2.320 -0.218 -0.073) 2.331 16.777 ( 1.737 -0.736 0.208) 1.898 16.788 ( 1.997 -0.593 0.663) 2.186 16.934 ( 0.010 -2.366 -0.457) 2.409 16.995 ( -1.372 -1.665 1.067) 2.407 17.824 ( 1.022 -2.322 1.229) 2.819 17.902 ( -2.709 0.355 -0.982) 2.904 18.007 ( -2.906 -3.814 -1.436) 5.005 18.041 ( -2.714 -1.669 1.090) 3.367 21.505 ( 1.874 2.782 0.126) 3.357 21.571 ( 0.925 5.430 0.983) 5.595 21.819 ( -4.259 -1.678 1.260) 4.748 21.863 ( -2.640 -0.138 -1.927) 3.271 27.195 ( -3.374 0.310 -0.594) 3.440 27.213 ( -2.363 -0.617 2.173) 3.269 27.319 ( -6.569 4.148 2.960) 8.314 27.337 ( -8.304 3.161 -3.499) 9.550 28.847 ( 0.687 -0.922 0.839) 1.423 28.877 ( 0.609 -0.874 -0.108) 1.071 28.938 ( -1.562 2.163 0.301) 2.686 28.968 ( -1.898 1.652 -0.338) 2.539 29.908 ( -0.338 0.987 -0.639) 1.224 29.962 ( 2.518 0.349 1.459) 2.931 30.230 ( -6.553 -0.447 -4.567) 8.000 30.238 ( -5.123 -0.875 3.737) 6.401 30.610 ( 6.320 3.553 -0.708) 7.285 30.782 ( 6.861 1.476 1.665) 7.213 31.197 ( -6.366 -1.348 1.289) 6.633 31.399 ( -4.044 -4.150 -0.663) 5.832 31.523 ( 2.289 1.804 -0.615) 2.978 31.693 ( 4.319 2.891 -0.305) 5.206 31.774 ( 1.202 -1.686 -0.869) 2.245 32.090 ( -3.942 3.106 -3.394) 6.059 32.411 ( 4.940 0.470 0.717) 5.014 32.636 ( 5.881 7.314 5.604) 10.931 33.259 ( 3.275 -5.598 -3.594) 7.414 33.515 ( 4.806 -4.321 0.672) 6.498 33.632 ( 2.823 3.176 -1.297) 4.443 33.822 ( 1.773 6.903 1.737) 7.335 34.226 ( 6.684 -10.668 5.366) 13.685 34.642 ( 3.894 -6.444 -7.426) 10.575 ======================= Grid point 15 (11/88) ======================= q-point: ( 0.40 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 12.779 -0.975 0.814) 12.842 2.185 ( 11.707 -0.851 -1.922) 11.894 2.327 ( 10.364 8.124 -2.745) 13.452 2.408 ( 1.409 4.643 -4.687) 6.746 2.486 ( 11.215 -2.967 -1.191) 11.662 2.737 ( -1.185 3.012 1.801) 3.704 2.762 ( -1.727 2.740 7.970) 8.603 2.863 ( 3.078 -0.350 -2.559) 4.018 2.934 ( -3.031 2.603 4.480) 6.003 3.017 ( -0.503 0.404 -1.294) 1.446 3.115 ( -4.436 3.193 0.345) 5.476 3.155 ( -5.980 1.335 1.238) 6.251 3.233 ( -1.798 -1.625 -0.205) 2.432 3.366 ( 7.176 -2.875 -4.886) 9.145 3.385 ( -0.020 -0.667 -5.622) 5.662 3.484 ( -0.676 -6.294 -1.794) 6.579 3.592 ( -2.467 -4.982 1.426) 5.739 3.683 ( -4.912 1.874 1.611) 5.498 3.782 ( 0.831 0.343 -4.159) 4.255 3.855 ( 4.122 -7.292 2.710) 8.804 3.931 ( -4.507 4.740 5.969) 8.855 4.026 ( -1.010 -0.912 -0.979) 1.677 4.184 ( 3.207 3.167 1.059) 4.630 4.242 ( 1.981 -1.891 -0.713) 2.830 4.299 ( 1.108 2.530 -1.642) 3.213 4.418 ( -1.957 5.262 0.982) 5.699 4.479 ( 3.428 -3.010 1.469) 4.792 4.573 ( 6.980 10.529 -4.772) 13.504 4.647 ( 9.474 -0.421 0.922) 9.529 4.711 ( -7.130 5.813 0.462) 9.211 4.900 ( 6.720 -1.167 -2.830) 7.384 5.147 ( -0.028 -1.818 0.063) 1.820 5.187 ( 5.342 -2.513 2.635) 6.464 5.272 ( 8.121 -0.968 -1.261) 8.275 5.362 ( -0.855 5.723 -1.369) 5.946 5.404 ( 3.527 0.291 -5.171) 6.266 5.520 ( -3.051 -0.880 0.717) 3.255 5.572 ( 0.035 -3.574 8.112) 8.865 5.736 ( -4.874 -1.342 5.711) 7.627 5.842 ( 2.563 -2.464 -0.608) 3.607 5.908 ( -0.980 -5.836 0.758) 5.966 6.173 ( 7.479 -7.452 -0.448) 10.567 6.265 ( -1.363 -6.186 2.532) 6.821 6.410 ( 0.637 -3.281 -3.204) 4.630 6.514 ( -1.087 2.514 -0.260) 2.751 6.549 ( -2.539 -0.950 0.796) 2.825 6.665 ( 1.395 4.896 -1.692) 5.365 7.007 ( 1.158 14.629 -4.975) 15.495 7.081 ( -4.399 -1.332 0.802) 4.666 7.317 ( 1.716 -4.584 -0.338) 4.907 7.592 ( -2.611 -2.670 0.020) 3.735 7.787 ( -0.583 0.992 3.385) 3.575 8.024 ( -1.443 4.193 0.204) 4.439 8.137 ( -0.373 7.245 4.931) 8.771 8.310 ( -3.118 1.859 -5.565) 6.645 8.438 ( -2.753 -8.191 -2.293) 8.940 8.638 ( 0.253 -3.405 0.208) 3.421 8.718 ( 1.771 -0.637 2.236) 2.923 8.895 ( -1.811 -2.483 0.986) 3.228 9.077 ( -3.501 3.025 -1.248) 4.792 9.512 ( -0.012 2.133 -0.851) 2.296 9.771 ( 0.855 9.928 -1.650) 10.101 10.083 ( -0.390 1.172 1.460) 1.913 10.159 ( -1.847 0.872 7.056) 7.345 10.304 ( 1.232 -0.343 -7.545) 7.653 10.547 ( -1.500 -4.845 -3.200) 5.997 10.592 ( -1.082 -1.403 -1.274) 2.182 10.707 ( -1.154 3.920 1.104) 4.233 10.859 ( -0.532 -2.950 0.174) 3.002 10.961 ( 1.465 -5.892 4.368) 7.479 11.226 ( 0.667 -7.644 0.762) 7.711 11.340 ( 1.037 -3.520 0.390) 3.690 12.598 ( 4.367 1.505 -0.704) 4.672 12.718 ( -0.009 1.667 0.250) 1.686 12.754 ( 0.590 1.432 -0.152) 1.556 12.858 ( -2.068 1.936 -0.391) 2.860 14.016 ( -0.617 -0.576 0.611) 1.042 14.117 ( 0.057 -3.613 -1.275) 3.832 14.183 ( -0.384 0.018 -0.578) 0.694 14.419 ( 1.137 -2.916 1.016) 3.290 14.741 ( 1.247 0.635 2.471) 2.840 14.859 ( 3.223 -2.293 -3.010) 4.971 15.026 ( -4.901 1.020 1.375) 5.191 15.097 ( -3.910 3.452 -0.680) 5.260 15.530 ( 0.141 0.039 -0.066) 0.160 15.665 ( 0.055 -2.401 1.628) 2.901 15.708 ( -1.310 5.119 -0.776) 5.341 15.875 ( 1.217 4.023 0.519) 4.235 15.944 ( 1.184 -0.029 -0.219) 1.204 16.031 ( 0.162 0.407 -0.144) 0.461 16.049 ( 1.835 4.831 0.149) 5.170 16.247 ( -1.485 0.131 -0.625) 1.616 16.805 ( 1.618 -0.579 -0.151) 1.726 16.831 ( 1.285 -0.711 0.790) 1.667 16.915 ( -0.827 -1.665 -1.280) 2.258 16.978 ( -1.417 -2.314 1.432) 3.069 17.817 ( -1.369 -0.985 -1.397) 2.191 17.881 ( 0.166 -1.092 1.629) 1.968 17.950 ( -1.963 -3.066 -1.252) 3.850 18.009 ( -1.523 -2.198 1.040) 2.869 21.544 ( 1.801 2.051 0.272) 2.743 21.601 ( 1.955 3.752 -0.216) 4.236 21.753 ( -3.603 -0.920 1.124) 3.885 21.804 ( -2.118 0.053 -1.290) 2.481 27.088 ( -3.582 1.689 -3.011) 4.975 27.124 ( -4.401 0.293 -4.324) 6.177 27.257 ( -1.483 1.712 3.037) 3.789 27.299 ( -1.505 0.908 4.372) 4.712 28.864 ( 0.675 -0.406 0.198) 0.812 28.883 ( 0.258 -0.536 -0.295) 0.664 28.918 ( -0.812 1.225 0.462) 1.541 28.936 ( -1.235 1.234 -0.096) 1.748 29.903 ( 0.522 0.546 -0.823) 1.117 30.023 ( 2.932 -1.018 -0.478) 3.140 30.093 ( -4.092 0.186 -2.472) 4.785 30.170 ( -4.853 -1.092 2.916) 5.766 30.735 ( 7.493 2.891 -0.795) 8.071 30.939 ( 7.349 0.424 2.127) 7.662 31.072 ( -6.998 1.028 0.931) 7.134 31.284 ( -6.816 -0.590 -1.199) 6.945 31.570 ( 2.237 0.735 1.058) 2.582 31.769 ( 2.139 -1.937 0.389) 2.912 31.797 ( 2.962 -0.121 -1.436) 3.294 31.970 ( -5.199 4.493 -3.076) 7.528 32.458 ( 0.695 3.486 -0.056) 3.555 32.787 ( 4.587 4.716 4.626) 8.042 33.281 ( 1.821 -3.441 -2.903) 4.856 33.581 ( 1.762 -4.862 0.648) 5.212 33.681 ( 2.699 0.966 -0.937) 3.016 33.880 ( 2.549 8.536 1.381) 9.015 34.354 ( 3.523 -12.491 2.344) 13.189 34.655 ( 1.779 -4.150 -2.950) 5.394 ======================= Grid point 16 (12/88) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 0.000 0.685 0.000) 0.685 2.289 ( 0.000 -3.375 0.000) 3.375 2.347 ( 0.000 3.921 0.000) 3.921 2.494 ( 0.000 6.466 0.000) 6.466 2.594 ( 0.000 -4.343 -0.000) 4.343 2.665 ( 0.000 2.980 0.000) 2.980 2.794 ( 0.000 4.655 -0.000) 4.655 2.914 ( 0.000 -0.214 0.000) 0.214 2.950 ( -0.000 0.468 -0.000) 0.468 3.021 ( -0.000 8.018 0.000) 8.018 3.026 ( 0.000 -0.318 -0.000) 0.318 3.086 ( -0.000 3.114 -0.000) 3.114 3.201 ( 0.000 -5.520 0.000) 5.520 3.359 ( 0.000 -0.766 0.000) 0.766 3.460 ( -0.000 -0.492 0.000) 0.492 3.478 ( -0.000 -6.115 0.000) 6.115 3.518 ( 0.000 -1.381 -0.000) 1.381 3.693 ( -0.000 2.923 -0.000) 2.923 3.716 ( 0.000 5.974 0.000) 5.974 3.903 ( 0.000 -2.304 -0.000) 2.304 3.925 ( -0.000 -8.664 0.000) 8.664 4.000 ( 0.000 -3.549 -0.000) 3.549 4.225 ( -0.000 -5.467 -0.000) 5.467 4.236 ( 0.000 5.377 0.000) 5.377 4.342 ( 0.000 4.883 0.000) 4.883 4.362 ( 0.000 4.479 -0.000) 4.479 4.540 ( -0.000 -0.063 0.000) 0.063 4.581 ( 0.000 12.294 0.000) 12.294 4.657 ( 0.000 4.607 0.000) 4.607 4.763 ( 0.000 -3.781 0.000) 3.781 4.935 ( 0.000 -0.600 0.000) 0.600 5.145 ( 0.000 -5.573 -0.000) 5.573 5.270 ( -0.000 -5.355 -0.000) 5.355 5.307 ( 0.000 5.977 0.000) 5.977 5.404 ( 0.000 2.482 0.000) 2.482 5.408 ( -0.000 -3.187 -0.000) 3.187 5.545 ( -0.009 -0.680 0.008) 0.680 5.545 ( 0.009 -5.633 -0.008) 5.633 5.767 ( 0.000 6.094 0.000) 6.094 5.851 ( -0.000 2.381 -0.000) 2.381 5.895 ( 0.000 -10.521 -0.000) 10.521 6.244 ( 0.000 -5.818 -0.000) 5.818 6.298 ( 0.000 -11.282 0.000) 11.282 6.361 ( -0.000 -0.893 0.000) 0.893 6.482 ( 0.000 5.542 -0.000) 5.542 6.534 ( 0.000 -1.298 0.000) 1.298 6.671 ( 0.000 4.698 0.000) 4.698 6.995 ( 0.000 15.150 0.000) 15.150 7.046 ( 0.000 -0.382 -0.000) 0.382 7.340 ( 0.000 -6.310 0.000) 6.310 7.565 ( 0.000 -2.594 0.000) 2.594 7.793 ( 0.000 -0.201 0.000) 0.201 8.013 ( 0.000 7.461 -0.000) 7.461 8.180 ( 0.000 8.492 0.000) 8.492 8.233 ( 0.000 -0.190 0.000) 0.190 8.400 ( 0.000 -8.301 0.000) 8.301 8.639 ( 0.000 -4.213 -0.000) 4.213 8.751 ( 0.000 -3.548 0.000) 3.548 8.882 ( 0.000 0.789 0.000) 0.789 9.030 ( 0.000 2.912 0.000) 2.912 9.509 ( 0.000 2.197 0.000) 2.197 9.774 ( 0.000 9.946 0.000) 9.946 10.084 ( 0.000 0.619 0.000) 0.619 10.173 ( 0.000 0.907 0.000) 0.907 10.283 ( 0.000 -0.791 -0.000) 0.791 10.516 ( 0.000 -4.843 0.000) 4.843 10.577 ( 0.000 -1.559 0.000) 1.559 10.697 ( 0.000 3.528 0.000) 3.528 10.855 ( 0.000 -2.371 0.000) 2.371 10.995 ( 0.000 -5.620 0.000) 5.620 11.235 ( 0.000 -7.892 0.000) 7.892 11.352 ( 0.000 -3.576 0.000) 3.576 12.664 ( 0.000 0.963 0.000) 0.963 12.674 ( 0.000 -0.891 0.000) 0.891 12.797 ( -0.000 2.562 0.000) 2.562 12.814 ( 0.000 3.759 0.000) 3.759 14.013 ( 0.000 -0.716 0.000) 0.716 14.113 ( 0.000 -3.615 0.000) 3.615 14.177 ( 0.000 0.178 0.000) 0.178 14.436 ( 0.000 -3.284 0.000) 3.284 14.765 ( 0.000 1.761 0.000) 1.761 14.903 ( 0.000 -1.857 0.000) 1.857 14.959 ( 0.000 1.176 -0.000) 1.176 15.054 ( 0.000 1.321 0.000) 1.321 15.532 ( 0.000 0.496 0.000) 0.496 15.679 ( 0.000 -3.567 -0.000) 3.567 15.686 ( 0.000 6.544 0.000) 6.544 15.889 ( 0.000 3.922 0.000) 3.922 15.957 ( 0.000 0.561 0.000) 0.561 16.033 ( 0.000 0.117 0.000) 0.117 16.069 ( 0.000 4.638 -0.000) 4.638 16.229 ( 0.000 -0.179 0.000) 0.179 16.823 ( 0.000 -1.209 -0.000) 1.209 16.848 ( 0.000 0.241 -0.000) 0.241 16.898 ( 0.000 -2.193 0.000) 2.193 16.969 ( 0.000 -2.012 0.000) 2.012 17.795 ( 0.000 -0.532 0.000) 0.532 17.897 ( 0.000 -1.672 0.000) 1.672 17.921 ( 0.000 -2.498 0.000) 2.498 17.999 ( 0.000 -2.495 0.000) 2.495 21.564 ( 0.000 2.400 0.000) 2.400 21.628 ( 0.000 1.173 0.000) 1.173 21.715 ( 0.000 1.061 0.000) 1.061 21.776 ( 0.000 -0.224 0.000) 0.224 27.047 ( 0.000 1.325 0.000) 1.325 27.056 ( 0.000 0.682 0.000) 0.682 27.257 ( 0.000 1.318 0.000) 1.318 27.303 ( 0.000 0.596 0.000) 0.596 28.872 ( 0.000 0.067 0.000) 0.067 28.884 ( 0.000 -0.553 0.000) 0.553 28.914 ( 0.000 0.774 0.000) 0.774 28.922 ( -0.000 1.068 0.000) 1.068 29.909 ( -0.000 0.268 0.000) 0.268 30.017 ( 0.000 -1.046 0.000) 1.046 30.102 ( 0.000 -0.408 -0.000) 0.408 30.104 ( -0.000 -0.687 0.000) 0.687 30.843 ( 0.000 2.320 0.000) 2.320 30.943 ( -0.000 0.199 0.000) 0.199 31.105 ( 0.000 1.825 -0.000) 1.825 31.155 ( -0.000 0.548 0.000) 0.548 31.602 ( 0.000 0.050 0.000) 0.050 31.784 ( 0.000 -2.115 0.000) 2.115 31.838 ( 0.000 0.138 0.000) 0.138 31.890 ( 0.000 3.746 0.000) 3.746 32.461 ( 0.000 4.910 0.000) 4.910 32.851 ( 0.000 4.041 0.000) 4.041 33.286 ( 0.000 -2.757 -0.000) 2.757 33.599 ( 0.000 -4.990 0.000) 4.990 33.705 ( 0.000 0.105 0.000) 0.105 33.913 ( 0.000 8.942 0.000) 8.942 34.395 ( 0.000 -12.934 0.000) 12.934 34.661 ( 0.000 -3.384 0.000) 3.384 ======================= Grid point 22 (13/88) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 0.000 25.696 0.000) 25.696 1.385 ( 0.000 31.413 0.000) 31.413 1.788 ( 0.000 2.437 0.000) 2.437 2.014 ( 0.000 23.470 0.000) 23.470 2.116 ( 0.000 -7.202 0.000) 7.202 2.294 ( 0.000 -8.826 0.000) 8.826 2.561 ( 0.000 14.734 0.000) 14.734 2.572 ( 0.000 -9.346 0.000) 9.346 2.747 ( 0.000 2.506 0.000) 2.506 2.792 ( 0.000 -10.213 0.000) 10.213 3.072 ( 0.000 -2.584 0.000) 2.584 3.105 ( 0.000 -4.030 0.000) 4.030 3.156 ( 0.000 2.951 0.000) 2.951 3.185 ( 0.000 -1.161 0.000) 1.161 3.301 ( 0.000 -3.322 0.000) 3.322 3.357 ( 0.000 -4.401 0.000) 4.401 3.552 ( 0.000 4.235 0.000) 4.235 3.567 ( 0.000 6.194 0.000) 6.194 3.660 ( 0.000 -0.722 0.000) 0.722 3.732 ( 0.000 -1.540 0.000) 1.540 3.783 ( 0.000 3.102 0.000) 3.102 3.796 ( 0.000 -2.049 0.000) 2.049 3.865 ( 0.000 -6.146 0.000) 6.146 4.153 ( 0.000 -7.689 0.000) 7.689 4.331 ( 0.000 10.815 0.000) 10.815 4.335 ( 0.000 -2.406 0.000) 2.406 4.380 ( 0.000 4.314 0.000) 4.314 4.500 ( 0.000 -0.776 0.000) 0.776 4.713 ( 0.000 4.204 0.000) 4.204 4.735 ( 0.000 -0.375 0.000) 0.375 4.867 ( 0.000 -5.658 0.000) 5.658 5.004 ( 0.000 0.817 0.000) 0.817 5.025 ( 0.000 -2.112 0.000) 2.112 5.056 ( 0.000 -5.154 0.000) 5.154 5.119 ( 0.000 7.702 0.000) 7.702 5.120 ( 0.000 1.805 0.000) 1.805 5.355 ( 0.000 2.335 0.000) 2.335 5.518 ( 0.000 2.670 0.000) 2.670 5.590 ( 0.000 -8.823 0.000) 8.823 5.788 ( 0.000 4.921 0.000) 4.921 5.889 ( 0.000 -10.670 0.000) 10.670 6.190 ( 0.000 -6.283 0.000) 6.283 6.268 ( 0.000 -3.228 0.000) 3.228 6.294 ( 0.000 -5.947 0.000) 5.947 6.594 ( 0.000 3.147 0.000) 3.147 6.734 ( 0.000 -3.582 0.000) 3.582 7.016 ( 0.000 9.653 0.000) 9.653 7.137 ( 0.000 10.555 0.000) 10.555 7.349 ( 0.000 -1.056 0.000) 1.056 7.549 ( 0.000 7.981 0.000) 7.981 7.687 ( 0.000 3.907 0.000) 3.907 7.799 ( 0.000 1.884 0.000) 1.884 8.140 ( 0.000 -6.619 0.000) 6.619 8.190 ( 0.000 -6.202 0.000) 6.202 8.444 ( 0.000 -7.199 0.000) 7.199 8.572 ( 0.000 2.840 0.000) 2.840 8.637 ( 0.000 -4.254 0.000) 4.254 8.663 ( 0.000 -4.447 0.000) 4.447 8.903 ( 0.000 -5.696 0.000) 5.696 9.002 ( 0.000 -3.867 0.000) 3.867 9.766 ( 0.000 10.915 0.000) 10.915 9.893 ( 0.000 -0.572 0.000) 0.572 10.098 ( 0.000 10.585 0.000) 10.585 10.291 ( 0.000 3.250 0.000) 3.250 10.366 ( 0.000 -1.239 0.000) 1.239 10.393 ( 0.000 6.272 0.000) 6.272 10.572 ( 0.000 -1.874 0.000) 1.874 10.738 ( 0.000 -9.934 0.000) 9.934 10.756 ( 0.000 0.989 0.000) 0.989 11.001 ( 0.000 -10.001 0.000) 10.001 11.020 ( 0.000 2.917 0.000) 2.917 11.183 ( 0.000 -5.705 0.000) 5.705 12.545 ( 0.000 8.342 0.000) 8.342 12.575 ( 0.000 5.452 0.000) 5.452 12.785 ( 0.000 -2.416 0.000) 2.416 12.864 ( 0.000 -3.567 0.000) 3.567 14.054 ( 0.000 -0.307 0.000) 0.307 14.202 ( 0.000 -3.757 0.000) 3.757 14.286 ( 0.000 1.928 0.000) 1.928 14.374 ( 0.000 -3.256 0.000) 3.256 14.546 ( 0.000 1.603 0.000) 1.603 14.853 ( 0.000 -13.305 0.000) 13.305 15.361 ( 0.000 3.232 0.000) 3.232 15.443 ( 0.000 -2.232 0.000) 2.232 15.750 ( 0.000 3.422 0.000) 3.422 15.806 ( 0.000 5.250 0.000) 5.250 15.869 ( 0.000 0.898 0.000) 0.898 15.875 ( 0.000 2.825 0.000) 2.825 15.889 ( 0.000 1.194 0.000) 1.194 15.995 ( 0.000 -1.171 0.000) 1.171 16.198 ( 0.000 -2.675 0.000) 2.675 16.235 ( 0.000 -2.409 0.000) 2.409 16.669 ( 0.000 1.796 0.000) 1.796 16.757 ( 0.000 -2.818 0.000) 2.818 16.845 ( 0.000 1.066 0.000) 1.066 16.962 ( 0.000 -2.183 0.000) 2.183 17.813 ( 0.000 3.935 0.000) 3.935 18.039 ( 0.000 -5.422 0.000) 5.422 18.079 ( 0.000 0.966 0.000) 0.966 18.133 ( 0.000 -1.489 0.000) 1.489 21.605 ( 0.000 3.379 0.000) 3.379 21.624 ( 0.000 5.649 0.000) 5.649 21.952 ( 0.000 1.113 0.000) 1.113 22.030 ( 0.000 -0.302 0.000) 0.302 27.157 ( 0.000 1.592 0.000) 1.592 27.205 ( 0.000 -0.788 0.000) 0.788 27.969 ( 0.000 7.285 0.000) 7.285 28.244 ( 0.000 -5.245 0.000) 5.245 28.790 ( 0.000 -0.758 0.000) 0.758 28.799 ( 0.000 -1.488 0.000) 1.488 29.099 ( 0.000 4.488 0.000) 4.488 29.241 ( 0.000 -2.605 0.000) 2.605 29.914 ( 0.000 1.967 0.000) 1.967 29.972 ( 0.000 -0.607 0.000) 0.607 30.452 ( 0.000 2.954 0.000) 2.954 30.504 ( 0.000 5.201 0.000) 5.201 30.548 ( 0.000 -0.996 0.000) 0.996 30.639 ( 0.000 -0.382 0.000) 0.382 31.171 ( 0.000 -2.235 0.000) 2.235 31.254 ( 0.000 -6.071 0.000) 6.071 31.631 ( 0.000 0.889 0.000) 0.889 31.656 ( 0.000 -0.277 0.000) 0.277 31.815 ( 0.000 0.160 0.000) 0.160 31.825 ( 0.000 -0.128 0.000) 0.128 32.337 ( 0.000 -0.988 0.000) 0.988 32.352 ( 0.000 -2.078 0.000) 2.078 32.635 ( 0.000 4.334 0.000) 4.334 32.889 ( 0.000 -8.869 0.000) 8.869 33.805 ( 0.000 4.190 0.000) 4.190 33.835 ( 0.000 1.282 0.000) 1.282 34.016 ( 0.000 6.800 0.000) 6.800 34.298 ( 0.000 -6.025 0.000) 6.025 ======================= Grid point 23 (14/88) ======================= q-point: ( 0.10 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 14.049 18.340 5.565) 23.763 1.439 ( 1.672 24.427 7.714) 25.670 1.803 ( 6.973 -0.646 -10.859) 12.921 2.020 ( -1.428 3.486 -1.196) 3.952 2.251 ( 14.991 13.615 3.797) 20.604 2.420 ( 13.373 -2.930 0.492) 13.699 2.578 ( 1.637 -7.198 -0.736) 7.419 2.632 ( 2.146 4.821 3.799) 6.503 2.793 ( 4.441 4.293 -0.401) 6.189 2.851 ( 3.486 -7.089 5.076) 9.390 2.930 ( -3.711 -4.751 -4.719) 7.656 3.136 ( 1.813 -1.007 4.641) 5.084 3.218 ( 2.890 -2.390 1.950) 4.227 3.287 ( 1.122 -1.438 -2.124) 2.800 3.333 ( 8.630 2.337 0.704) 8.969 3.442 ( 6.513 -1.537 -0.335) 6.700 3.521 ( -1.886 4.402 -1.803) 5.117 3.604 ( 0.524 -1.845 1.077) 2.200 3.659 ( 0.150 -0.203 1.082) 1.111 3.721 ( 1.969 1.284 -4.439) 5.023 3.750 ( -1.074 0.360 -0.773) 1.371 3.789 ( 1.093 2.032 0.218) 2.318 3.948 ( 8.286 -4.128 -1.189) 9.334 4.148 ( 0.327 -6.963 -1.878) 7.219 4.305 ( -0.632 -1.368 -0.495) 1.586 4.346 ( -2.043 7.235 -1.973) 7.773 4.354 ( 0.691 6.689 0.580) 6.749 4.547 ( 3.100 -1.490 2.095) 4.027 4.680 ( -0.497 3.995 -2.931) 4.979 4.742 ( 0.187 3.729 -1.360) 3.973 4.902 ( -0.251 -2.508 4.047) 4.768 5.016 ( 1.384 -2.724 1.019) 3.221 5.081 ( 2.277 3.344 0.522) 4.079 5.098 ( 3.335 -1.479 0.515) 3.685 5.176 ( 5.468 -3.714 4.835) 8.189 5.219 ( 9.119 -0.857 0.011) 9.159 5.325 ( -2.075 0.470 -1.897) 2.850 5.522 ( -1.595 -0.918 3.348) 3.820 5.565 ( -0.129 -5.800 -2.137) 6.183 5.782 ( -1.677 3.263 2.180) 4.268 5.874 ( -0.370 -8.785 -3.419) 9.435 6.130 ( -6.275 -6.251 -1.727) 9.024 6.226 ( -0.743 -2.977 -0.210) 3.075 6.301 ( -2.098 -5.227 2.107) 6.014 6.578 ( -0.673 3.477 -2.088) 4.111 6.724 ( -1.631 -3.232 1.158) 3.801 6.963 ( -5.609 9.764 1.849) 11.411 7.135 ( 0.448 6.755 -2.702) 7.289 7.310 ( -4.749 2.692 4.511) 7.081 7.528 ( -2.580 5.770 -0.217) 6.324 7.674 ( 1.559 7.109 -3.681) 8.156 7.842 ( 2.607 0.862 -0.018) 2.746 8.120 ( -5.353 -5.061 -1.739) 7.570 8.160 ( 0.622 -8.088 2.660) 8.537 8.431 ( -1.335 -7.257 -0.285) 7.385 8.563 ( 1.775 -0.367 -6.352) 6.605 8.632 ( -2.194 -3.417 0.116) 4.063 8.655 ( -0.616 -1.796 2.846) 3.421 8.872 ( -2.032 -4.332 -0.293) 4.794 9.047 ( 3.258 -5.472 0.437) 6.384 9.757 ( -0.780 11.584 -0.600) 11.626 9.955 ( 3.085 -0.937 5.538) 6.408 10.082 ( -0.506 10.875 -3.569) 11.456 10.294 ( -5.354 1.836 6.119) 8.335 10.364 ( 3.300 2.327 5.266) 6.636 10.431 ( 4.573 4.019 -7.751) 9.856 10.572 ( 0.272 -2.956 -0.875) 3.094 10.724 ( -1.591 -8.177 0.895) 8.378 10.757 ( -0.388 0.187 0.697) 0.820 10.988 ( -2.572 -5.255 2.776) 6.476 11.010 ( 1.168 -2.723 -5.242) 6.021 11.174 ( -0.073 -6.144 -1.492) 6.323 12.552 ( 0.745 7.418 0.093) 7.456 12.610 ( 3.121 5.507 0.440) 6.345 12.792 ( 0.238 -2.604 0.585) 2.680 12.862 ( 0.137 -3.089 -0.344) 3.111 14.050 ( -0.728 -0.174 0.638) 0.984 14.175 ( -2.167 -2.772 -1.212) 3.721 14.273 ( -1.231 1.142 -0.271) 1.701 14.356 ( -1.973 -3.284 0.757) 3.905 14.560 ( 1.019 1.257 1.261) 2.052 14.830 ( -0.816 -11.256 -3.407) 11.788 15.322 ( -3.460 3.402 0.134) 4.854 15.437 ( -1.148 -2.601 0.194) 2.850 15.705 ( -5.234 8.181 -0.539) 9.727 15.776 ( -5.246 4.163 -0.194) 6.700 15.847 ( 1.850 2.546 -0.242) 3.157 15.868 ( -0.315 1.744 -0.007) 1.772 15.891 ( -0.109 0.770 0.343) 0.850 16.021 ( 1.400 -2.458 0.012) 2.829 16.122 ( -4.074 3.007 -0.513) 5.089 16.250 ( 1.947 -2.327 -1.845) 3.551 16.715 ( 1.903 -0.849 2.296) 3.100 16.752 ( 0.434 -0.431 -0.636) 0.882 16.831 ( -0.344 0.750 -0.517) 0.973 16.979 ( 1.233 -3.099 -0.790) 3.428 17.787 ( -1.749 3.499 -0.140) 3.914 18.006 ( -3.570 -3.543 2.194) 5.488 18.063 ( -0.563 -1.370 -3.968) 4.236 18.105 ( -2.399 -1.562 -0.437) 2.896 21.590 ( -0.926 5.156 0.433) 5.257 21.645 ( 0.438 4.274 2.362) 4.903 21.924 ( -2.976 0.452 0.542) 3.058 21.993 ( -3.070 -0.502 -1.069) 3.289 27.169 ( -0.546 1.105 4.119) 4.300 27.208 ( -0.982 -0.695 3.063) 3.291 27.871 ( -8.327 6.132 -3.585) 10.945 28.044 ( -15.822 0.190 -6.154) 16.978 28.796 ( 0.397 -0.653 0.493) 0.910 28.810 ( 0.852 -1.379 0.565) 1.717 29.077 ( -2.157 3.779 0.091) 4.352 29.157 ( -5.879 0.612 -0.818) 5.967 29.925 ( 0.083 1.828 1.859) 2.609 29.957 ( -2.265 0.410 3.424) 4.126 30.401 ( -4.746 2.524 0.990) 5.466 30.491 ( -4.885 -1.115 -0.530) 5.039 30.542 ( 2.703 5.092 0.707) 5.808 30.659 ( 1.785 0.475 -0.286) 1.869 31.203 ( 2.456 -3.236 0.052) 4.063 31.253 ( 0.525 -5.676 -1.173) 5.819 31.613 ( -1.179 4.815 -1.379) 5.145 31.700 ( 1.942 1.040 -0.843) 2.359 31.775 ( -1.466 -0.863 -4.554) 4.862 31.806 ( 6.236 -1.766 -0.024) 6.481 32.405 ( 4.764 3.323 2.736) 6.421 32.548 ( 3.930 2.226 8.453) 9.584 32.798 ( 20.401 -9.178 -3.238) 22.603 32.932 ( 4.792 -8.873 -1.079) 10.142 33.781 ( -2.329 4.421 -0.266) 5.004 33.837 ( 0.103 1.241 1.579) 2.011 34.001 ( -0.849 6.664 -0.440) 6.732 34.333 ( 4.711 -8.727 -3.630) 10.561 ======================= Grid point 24 (15/88) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 7.145 10.590 4.044) 13.399 1.660 ( 18.069 6.439 4.962) 19.813 1.934 ( 12.528 2.667 -4.997) 13.749 2.014 ( 5.511 7.531 -2.104) 9.566 2.533 ( 6.824 1.182 1.582) 7.104 2.595 ( 0.921 -3.390 -0.851) 3.614 2.682 ( 5.106 3.181 0.910) 6.085 2.748 ( 12.878 -5.336 3.066) 14.273 2.805 ( 2.326 -5.152 -2.925) 6.365 2.964 ( 2.106 -0.022 7.017) 7.326 3.036 ( 13.348 3.607 2.637) 14.076 3.213 ( 1.104 -0.684 3.675) 3.898 3.252 ( -2.049 -0.906 0.382) 2.273 3.301 ( 3.596 -1.058 -0.537) 3.786 3.420 ( -1.555 3.249 -3.341) 4.913 3.491 ( 4.161 -0.742 0.723) 4.288 3.553 ( 0.190 1.565 -3.705) 4.026 3.605 ( 0.392 -2.382 -0.591) 2.485 3.677 ( 3.375 1.036 -1.700) 3.919 3.689 ( 3.585 0.835 0.135) 3.683 3.831 ( 2.471 -5.503 2.857) 6.674 3.891 ( 10.534 10.543 -3.418) 15.291 4.118 ( 9.227 -1.983 -0.410) 9.446 4.132 ( 0.377 -1.652 -3.287) 3.698 4.272 ( 0.108 -0.675 -4.550) 4.601 4.364 ( 3.227 -0.595 1.640) 3.668 4.394 ( 3.884 10.226 -0.227) 10.942 4.566 ( -1.187 0.202 -0.095) 1.208 4.677 ( 0.741 7.747 -1.687) 7.964 4.751 ( 3.511 2.909 -1.914) 4.945 4.927 ( 0.628 -3.080 2.884) 4.266 5.051 ( 2.258 3.958 -2.930) 5.418 5.101 ( 1.263 5.362 -2.648) 6.112 5.173 ( 1.617 -0.464 4.890) 5.171 5.276 ( 0.893 -4.519 4.742) 6.611 5.298 ( -2.346 -3.502 5.413) 6.861 5.381 ( 7.062 -6.519 -1.960) 9.809 5.507 ( 0.999 -12.955 1.325) 13.061 5.607 ( 3.161 -2.422 -0.141) 3.985 5.758 ( -3.011 3.597 3.239) 5.700 5.809 ( -3.285 -5.197 -1.934) 6.446 6.012 ( -2.761 -2.795 -4.033) 5.631 6.194 ( -2.772 -4.979 1.281) 5.841 6.287 ( -0.147 -4.595 0.712) 4.652 6.546 ( -0.872 2.992 -1.582) 3.495 6.684 ( -3.464 -2.353 0.713) 4.248 6.866 ( -4.371 9.205 -0.971) 10.236 7.094 ( -3.596 -1.632 0.941) 4.059 7.286 ( 0.239 10.313 0.499) 10.327 7.468 ( -3.832 5.501 1.576) 6.887 7.680 ( 1.687 6.476 -4.723) 8.191 7.844 ( -2.809 -0.185 0.503) 2.860 8.036 ( -1.497 -1.092 0.104) 1.856 8.186 ( -1.180 -8.976 4.198) 9.979 8.389 ( -2.925 -7.434 0.002) 7.989 8.520 ( -2.349 -1.373 -5.012) 5.703 8.584 ( -0.718 -3.801 -2.184) 4.443 8.675 ( 0.399 -1.315 1.854) 2.308 8.843 ( -0.858 -1.746 0.191) 1.955 9.102 ( 1.879 -6.148 0.236) 6.433 9.726 ( -1.669 12.244 -1.149) 12.410 10.027 ( -1.006 8.312 -2.346) 8.695 10.050 ( 1.420 0.869 2.973) 3.408 10.237 ( -5.183 2.278 5.821) 8.120 10.428 ( 2.182 5.065 -8.194) 9.877 10.502 ( 4.289 0.140 4.425) 6.164 10.570 ( 1.115 -3.786 -0.113) 3.949 10.696 ( -1.853 -4.151 0.658) 4.593 10.759 ( -0.911 -1.162 3.755) 4.035 10.940 ( -2.849 0.706 -1.931) 3.513 10.997 ( 0.605 -10.290 -1.605) 10.432 11.172 ( 1.034 -7.056 -1.006) 7.202 12.574 ( 1.575 6.156 -0.142) 6.355 12.684 ( 4.076 4.909 0.276) 6.386 12.787 ( -1.182 -2.524 0.038) 2.787 12.871 ( 0.857 -2.073 0.012) 2.243 14.038 ( -1.215 -0.093 1.016) 1.586 14.115 ( -2.680 -1.935 -1.437) 3.604 14.242 ( -1.315 0.806 -0.991) 1.834 14.328 ( -1.289 -3.174 0.866) 3.534 14.604 ( 2.276 0.335 2.091) 3.109 14.788 ( 0.192 -7.281 -4.783) 8.714 15.252 ( -4.245 3.745 0.810) 5.719 15.387 ( -4.898 -0.767 0.563) 4.990 15.585 ( -4.147 9.043 -0.147) 9.950 15.709 ( -2.572 3.234 -1.360) 4.350 15.854 ( -1.085 2.332 0.521) 2.624 15.877 ( 1.208 2.134 -0.012) 2.452 15.896 ( 0.672 0.003 0.018) 0.672 16.015 ( -0.254 -3.772 -1.746) 4.164 16.107 ( 0.739 6.080 1.593) 6.329 16.272 ( 0.632 -2.414 0.498) 2.544 16.743 ( 1.410 0.459 0.042) 1.484 16.774 ( 1.271 1.948 -0.790) 2.457 16.844 ( 1.167 -2.433 1.619) 3.147 16.978 ( -0.462 -3.181 -1.565) 3.575 17.772 ( -0.049 1.222 0.872) 1.502 17.953 ( -3.702 -3.614 2.170) 5.610 17.997 ( -2.576 -1.603 -4.286) 5.252 18.051 ( -3.198 -1.996 0.342) 3.785 21.583 ( -0.462 5.568 1.021) 5.680 21.669 ( 0.245 4.325 1.982) 4.764 21.857 ( -4.601 -0.907 0.954) 4.786 21.917 ( -3.308 -1.184 -1.904) 3.996 27.192 ( -0.926 0.411 5.055) 5.156 27.214 ( -1.493 -0.497 4.364) 4.639 27.638 ( -11.830 4.147 -4.646) 13.369 27.681 ( -15.869 3.924 -5.680) 17.306 28.813 ( 0.836 -0.337 0.744) 1.169 28.834 ( 1.150 -1.206 0.542) 1.752 29.030 ( -2.700 2.652 0.003) 3.784 29.060 ( -3.880 1.488 -0.494) 4.185 29.939 ( -0.313 1.338 2.357) 2.728 29.949 ( -0.808 0.992 1.755) 2.172 30.311 ( -5.714 0.932 1.748) 6.047 30.368 ( -6.905 -1.356 -1.965) 7.306 30.612 ( 4.506 5.439 -0.374) 7.073 30.708 ( 3.788 1.316 0.483) 4.039 31.214 ( -1.297 -2.799 0.154) 3.089 31.277 ( 2.229 -6.387 -0.650) 6.796 31.579 ( 0.116 4.143 -3.361) 5.337 31.712 ( -0.281 -2.143 -5.039) 5.483 31.760 ( 2.746 4.526 2.386) 5.806 31.979 ( 7.121 -5.418 4.320) 9.936 32.495 ( 4.922 10.998 -3.606) 12.577 32.670 ( 4.548 7.802 6.599) 11.185 33.021 ( 7.112 -9.606 -4.304) 12.704 33.148 ( 13.859 -14.205 1.736) 19.921 33.734 ( -1.936 5.045 -0.007) 5.403 33.874 ( 1.674 -0.610 3.787) 4.185 33.998 ( 1.605 5.414 -1.146) 5.762 34.400 ( 5.533 -10.946 -4.588) 13.095 ======================= Grid point 25 (16/88) ======================= q-point: ( 0.30 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 12.609 5.494 2.710) 14.018 1.978 ( 14.462 0.650 -2.539) 14.698 2.175 ( 14.131 5.068 2.388) 15.201 2.218 ( 14.311 6.361 -1.272) 15.712 2.530 ( -3.056 -4.744 -2.498) 6.171 2.636 ( 4.360 -4.373 2.165) 6.544 2.783 ( 6.176 4.526 -3.683) 8.496 2.837 ( 0.476 -0.226 2.219) 2.280 2.975 ( 7.628 -0.417 -2.769) 8.126 3.051 ( 2.271 -2.020 4.436) 5.377 3.141 ( -1.835 -4.325 0.483) 4.723 3.196 ( -3.310 2.032 0.552) 3.922 3.286 ( 2.341 -4.341 1.989) 5.318 3.341 ( -1.433 2.311 2.495) 3.691 3.406 ( 0.708 6.079 -5.463) 8.204 3.448 ( -4.410 3.186 1.647) 5.685 3.535 ( -2.131 -2.149 -3.336) 4.504 3.601 ( 5.525 -2.891 0.170) 6.238 3.733 ( 2.554 -2.475 -1.679) 3.933 3.778 ( -1.688 -1.392 1.571) 2.693 3.975 ( 9.044 1.062 -0.496) 9.119 4.005 ( 4.533 1.506 -0.092) 4.778 4.150 ( 4.065 2.683 -1.184) 5.013 4.234 ( 3.422 2.836 0.068) 4.445 4.291 ( 2.193 -1.774 -3.906) 4.818 4.376 ( 0.100 -1.364 3.148) 3.432 4.437 ( 3.359 7.032 -1.326) 7.905 4.675 ( 9.044 4.874 -4.946) 11.402 4.713 ( 5.803 7.519 0.961) 9.546 4.771 ( -2.004 5.794 0.268) 6.136 4.932 ( -1.574 2.399 0.867) 2.997 5.082 ( 1.059 2.731 3.140) 4.294 5.117 ( 2.352 -3.083 -4.347) 5.826 5.194 ( 0.704 2.116 -1.009) 2.447 5.300 ( 1.736 -4.514 3.863) 6.190 5.381 ( 0.768 -4.845 9.163) 10.393 5.450 ( 3.700 -4.869 -1.715) 6.351 5.541 ( -2.832 -6.515 4.335) 8.322 5.592 ( 1.851 -4.437 -4.815) 6.804 5.778 ( 1.046 -3.950 -0.399) 4.105 5.802 ( 3.810 0.028 2.058) 4.330 5.950 ( -0.868 -1.310 -1.724) 2.333 6.165 ( -1.685 -5.197 1.425) 5.646 6.303 ( 2.255 -5.143 -1.842) 5.910 6.538 ( 1.166 1.727 -0.806) 2.234 6.612 ( -3.957 -1.061 0.052) 4.098 6.803 ( -0.907 7.900 -2.148) 8.237 7.040 ( -2.922 -4.530 1.262) 5.537 7.301 ( 1.539 11.860 -2.170) 12.155 7.412 ( -3.405 6.815 1.471) 7.759 7.650 ( -1.272 4.538 -3.429) 5.828 7.799 ( -2.233 -0.324 2.367) 3.270 8.037 ( -0.279 0.340 1.849) 1.900 8.178 ( -2.914 -6.329 4.381) 8.231 8.327 ( -3.631 -7.131 0.271) 8.007 8.425 ( -3.772 -2.123 -2.817) 5.165 8.568 ( 0.967 -3.765 -3.601) 5.299 8.689 ( -0.387 -2.630 1.454) 3.030 8.843 ( 0.625 0.785 0.086) 1.007 9.110 ( -1.270 -5.366 -0.087) 5.515 9.688 ( -1.303 11.995 -0.758) 12.090 9.988 ( -0.073 9.732 -3.259) 10.263 10.079 ( -1.261 -2.385 2.652) 3.783 10.196 ( -3.425 1.906 5.561) 6.803 10.392 ( 0.860 4.762 -7.980) 9.332 10.502 ( -1.169 -3.982 -4.216) 5.916 10.622 ( -0.257 1.126 -0.934) 1.485 10.722 ( 2.689 -2.927 8.064) 8.990 10.778 ( -0.510 -2.923 3.500) 4.589 10.866 ( -2.798 3.036 -2.109) 4.636 11.007 ( 0.748 -11.648 0.378) 11.678 11.192 ( 1.283 -7.889 -0.029) 7.993 12.607 ( 2.123 4.628 -0.250) 5.098 12.755 ( 0.247 -1.348 -0.447) 1.441 12.760 ( 1.624 3.892 0.210) 4.222 12.884 ( 0.402 -1.058 -0.089) 1.135 14.020 ( -1.345 -0.226 0.861) 1.613 14.066 ( -1.310 -2.317 -1.254) 2.942 14.214 ( -0.617 1.298 -1.248) 1.904 14.326 ( 0.123 -3.596 1.144) 3.775 14.674 ( 3.348 0.030 2.027) 3.914 14.775 ( 2.386 -4.065 -4.166) 6.291 15.170 ( -5.387 3.764 0.803) 6.621 15.274 ( -7.041 1.347 0.604) 7.194 15.557 ( 0.187 4.285 0.099) 4.290 15.652 ( -2.195 1.269 -0.451) 2.575 15.841 ( -0.676 4.147 0.277) 4.211 15.902 ( 1.485 1.631 0.553) 2.274 15.915 ( 1.302 -0.203 -0.262) 1.344 16.009 ( 0.440 -2.745 -0.597) 2.843 16.133 ( 0.768 5.579 1.168) 5.751 16.274 ( -0.835 -1.329 0.250) 1.589 16.781 ( 2.196 1.212 -0.852) 2.649 16.787 ( 1.237 0.959 -0.288) 1.592 16.878 ( 0.732 -2.749 1.449) 3.193 16.944 ( -1.609 -3.200 -1.286) 3.806 17.790 ( 0.746 -0.530 1.043) 1.388 17.904 ( -3.160 -2.662 1.925) 4.559 17.917 ( -2.415 -1.745 -3.242) 4.403 17.994 ( -3.124 -2.660 0.725) 4.167 21.587 ( 0.245 4.798 0.677) 4.851 21.686 ( 0.349 4.830 0.909) 4.928 21.776 ( -4.343 -2.173 0.745) 4.913 21.849 ( -2.567 -1.415 -1.434) 3.263 27.200 ( -1.588 0.185 1.180) 1.987 27.207 ( -2.314 -0.130 1.055) 2.546 27.399 ( -10.007 2.928 -2.001) 10.617 27.404 ( -9.591 2.925 -0.288) 10.031 28.837 ( 1.131 -0.074 0.543) 1.257 28.858 ( 1.065 -0.896 -0.046) 1.393 28.981 ( -2.381 1.833 -0.000) 3.005 28.998 ( -2.605 1.075 -0.165) 2.823 29.934 ( -0.700 1.447 -0.182) 1.617 29.968 ( 1.197 0.070 1.029) 1.580 30.216 ( -6.838 -0.735 -1.431) 7.025 30.219 ( -5.431 -0.807 1.064) 5.593 30.703 ( 5.689 5.128 -0.859) 7.707 30.811 ( 6.123 0.801 1.263) 6.303 31.173 ( -3.289 -0.459 0.701) 3.394 31.296 ( -0.380 -5.479 0.037) 5.492 31.570 ( 1.425 2.635 -2.273) 3.760 31.693 ( 1.418 -2.867 -2.833) 4.273 31.813 ( 0.891 5.448 1.677) 5.770 32.064 ( -1.244 -5.015 1.838) 5.484 32.566 ( 5.555 13.419 -2.752) 14.782 32.810 ( 4.863 9.687 5.654) 12.225 33.110 ( 6.019 -8.975 -4.964) 11.892 33.342 ( 5.985 -12.381 1.502) 13.833 33.721 ( 0.539 4.853 -0.226) 4.888 33.955 ( 2.521 -2.064 6.361) 7.147 34.046 ( 4.806 2.558 -3.048) 6.240 34.465 ( 4.480 -10.346 -3.124) 11.699 ======================= Grid point 26 (17/88) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 11.984 5.048 3.041) 13.355 2.180 ( 9.192 2.570 -4.513) 10.558 2.376 ( 5.259 -7.860 -0.553) 9.473 2.439 ( 1.137 -0.387 -3.216) 3.432 2.504 ( 11.153 7.004 0.073) 13.170 2.776 ( 3.919 -0.043 1.983) 4.393 2.819 ( 1.440 2.674 3.236) 4.438 2.873 ( 3.896 2.013 -2.752) 5.177 2.991 ( -4.317 1.167 1.005) 4.584 3.058 ( 4.929 1.945 -4.384) 6.878 3.125 ( -3.694 -0.018 0.589) 3.741 3.188 ( -2.266 -0.318 0.691) 2.390 3.246 ( -6.149 0.140 1.846) 6.422 3.275 ( 0.185 -0.807 -0.684) 1.074 3.405 ( -4.495 -1.586 -1.798) 5.094 3.441 ( 1.779 5.278 -0.724) 5.617 3.497 ( 2.873 -2.091 0.869) 3.658 3.653 ( -0.516 -9.622 -2.606) 9.982 3.731 ( 1.091 1.752 1.191) 2.383 3.794 ( 3.145 -1.314 -1.287) 3.643 3.975 ( -3.082 1.095 1.902) 3.784 4.044 ( -4.690 1.191 3.263) 5.836 4.140 ( -3.396 -3.774 -0.851) 5.148 4.292 ( 5.579 -1.566 -0.122) 5.796 4.383 ( 5.743 6.790 -1.488) 9.017 4.503 ( 2.588 3.810 0.905) 4.694 4.516 ( 7.817 6.070 -1.548) 10.017 4.656 ( -4.410 1.710 -0.244) 4.736 4.735 ( 1.800 4.738 0.413) 5.085 4.831 ( 2.671 3.960 -3.662) 6.019 4.912 ( -2.136 3.247 0.690) 3.947 5.043 ( -3.206 -6.154 -1.191) 7.040 5.154 ( 0.183 -0.571 4.748) 4.786 5.256 ( 3.990 -1.519 -0.664) 4.321 5.363 ( 1.153 -0.365 -0.179) 1.222 5.390 ( 0.938 -7.457 4.260) 8.640 5.532 ( 0.158 1.358 -2.081) 2.490 5.563 ( 5.087 5.604 1.940) 7.813 5.660 ( 7.122 -5.337 -0.209) 8.903 5.762 ( -3.495 -1.157 5.419) 6.551 5.882 ( 3.967 -4.547 -3.149) 6.807 6.000 ( 6.763 -5.007 -2.623) 8.815 6.139 ( -2.851 -3.873 2.718) 5.524 6.321 ( 0.957 -5.755 -3.290) 6.698 6.558 ( -0.643 1.307 0.527) 1.549 6.566 ( 0.542 1.830 -0.235) 1.923 6.790 ( 0.733 6.378 -1.671) 6.634 7.000 ( -2.010 -5.030 0.483) 5.438 7.309 ( 1.319 11.750 -2.231) 12.032 7.366 ( -2.446 7.646 1.219) 8.119 7.596 ( -1.863 4.121 -1.766) 4.855 7.788 ( -0.996 -0.902 1.751) 2.207 8.044 ( -0.340 0.268 1.647) 1.703 8.162 ( -1.748 -5.981 3.691) 7.243 8.265 ( -2.895 -6.212 0.299) 6.860 8.346 ( -2.584 -2.189 -1.809) 3.839 8.561 ( 0.955 -2.441 -2.826) 3.854 8.686 ( -0.952 -3.031 1.397) 3.471 8.867 ( 1.957 1.022 -0.181) 2.215 9.058 ( -3.553 -3.976 -0.272) 5.339 9.670 ( -0.358 11.349 -0.008) 11.355 9.975 ( 0.519 9.590 -1.524) 9.724 10.058 ( -1.886 -4.370 1.382) 4.956 10.198 ( -0.980 1.778 4.800) 5.212 10.343 ( 0.202 4.409 -6.605) 7.944 10.441 ( -1.602 -4.211 -3.508) 5.710 10.596 ( -1.002 2.391 -0.754) 2.700 10.773 ( -1.006 -3.456 -0.887) 3.707 10.818 ( 0.111 -4.093 2.442) 4.767 10.839 ( 1.154 4.764 4.367) 6.565 11.024 ( 0.529 -11.689 0.640) 11.719 11.213 ( 0.707 -8.459 0.311) 8.494 12.648 ( 2.319 2.947 -0.271) 3.760 12.723 ( -1.881 -0.313 0.306) 1.931 12.816 ( 2.645 3.134 -0.441) 4.125 12.882 ( -0.547 0.240 -0.157) 0.618 14.004 ( -0.756 -0.438 0.321) 0.930 14.044 ( -0.377 -2.915 -0.635) 3.007 14.199 ( -0.156 1.760 -0.759) 1.923 14.341 ( 0.460 -4.370 0.838) 4.473 14.756 ( 3.626 0.930 1.505) 4.034 14.817 ( 4.649 -1.867 -2.460) 5.581 15.066 ( -5.794 2.758 0.545) 6.440 15.142 ( -6.592 0.619 -0.334) 6.629 15.567 ( 0.568 3.046 -0.146) 3.102 15.632 ( -0.493 -0.364 1.082) 1.243 15.830 ( -0.499 5.774 -0.245) 5.800 15.930 ( 0.872 1.216 -0.068) 1.498 15.945 ( 1.825 -0.024 0.498) 1.892 16.015 ( 0.174 -2.153 0.110) 2.163 16.156 ( 0.855 4.863 0.758) 4.996 16.250 ( -1.312 -0.049 -0.390) 1.370 16.789 ( 0.679 -0.228 -1.418) 1.589 16.828 ( 1.795 -0.147 0.463) 1.859 16.878 ( -0.864 -1.556 -1.136) 2.111 16.919 ( -0.667 -3.048 1.123) 3.316 17.801 ( -0.153 -0.264 -0.236) 0.386 17.863 ( -1.551 -0.211 0.973) 1.843 17.875 ( -0.900 -3.753 -0.710) 3.924 17.950 ( -2.030 -3.389 0.568) 3.991 21.602 ( 0.990 3.347 0.150) 3.494 21.683 ( -1.631 3.272 -0.255) 3.665 21.728 ( -0.592 -0.989 1.016) 1.537 21.798 ( -2.000 -0.831 -0.705) 2.278 27.121 ( -3.680 1.281 -3.334) 5.128 27.132 ( -3.638 0.446 -3.633) 5.161 27.296 ( -2.664 1.826 3.215) 4.557 27.318 ( -2.490 0.761 3.876) 4.670 28.861 ( 1.097 0.043 0.073) 1.100 28.873 ( 0.742 -0.452 -0.539) 1.023 28.945 ( -1.518 1.213 0.326) 1.970 28.957 ( -1.692 0.695 0.130) 1.834 29.922 ( 0.017 1.273 -0.939) 1.582 29.993 ( 0.919 -1.803 -1.038) 2.274 30.100 ( -3.404 0.559 -0.711) 3.522 30.143 ( -4.230 -1.414 1.954) 4.870 30.810 ( 6.200 4.098 -0.797) 7.475 30.934 ( 4.581 -1.231 1.149) 4.880 31.114 ( -2.598 3.104 0.975) 4.164 31.255 ( -3.876 -2.413 -0.187) 4.569 31.599 ( 2.119 1.977 0.042) 2.898 31.712 ( 1.824 -3.193 -0.759) 3.755 31.828 ( 0.627 2.955 -0.278) 3.034 31.993 ( -5.352 -2.439 -0.771) 5.932 32.638 ( 2.986 13.892 -0.734) 14.228 32.927 ( 3.341 8.872 3.688) 10.173 33.168 ( 3.582 -7.788 -3.426) 9.231 33.419 ( 1.725 -11.202 1.001) 11.378 33.739 ( 1.304 4.433 -0.482) 4.646 34.051 ( 1.342 -3.057 7.799) 8.483 34.106 ( 4.561 0.793 -5.797) 7.418 34.515 ( 2.439 -9.064 -1.173) 9.460 ======================= Grid point 27 (18/88) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 0.000 4.783 0.000) 4.783 2.247 ( 0.000 -0.201 0.000) 0.201 2.358 ( 0.000 -2.411 0.000) 2.411 2.491 ( 0.000 -6.268 0.000) 6.268 2.644 ( -0.000 7.165 0.000) 7.165 2.752 ( 0.000 4.768 0.000) 4.768 2.883 ( 0.000 3.076 0.000) 3.076 2.956 ( -0.000 5.447 -0.000) 5.447 2.961 ( 0.000 -3.327 0.000) 3.327 3.040 ( 0.000 5.495 0.000) 5.495 3.116 ( -0.000 4.255 0.000) 4.255 3.135 ( 0.000 2.217 -0.000) 2.217 3.184 ( 0.000 -2.155 0.000) 2.155 3.290 ( -0.000 -4.821 0.000) 4.821 3.330 ( 0.000 -6.712 0.000) 6.712 3.471 ( -0.000 1.494 0.000) 1.494 3.505 ( 0.000 0.931 0.000) 0.931 3.645 ( 0.000 -13.772 0.000) 13.772 3.758 ( 0.000 3.408 0.000) 3.408 3.855 ( -0.000 0.003 -0.000) 0.003 3.923 ( 0.000 5.668 0.000) 5.668 3.986 ( -0.000 1.872 0.000) 1.872 4.113 ( 0.000 -3.562 -0.000) 3.562 4.399 ( -0.000 9.572 0.000) 9.572 4.406 ( 0.000 -2.043 -0.000) 2.043 4.456 ( 0.000 4.967 -0.000) 4.967 4.563 ( -0.000 0.041 0.000) 0.041 4.698 ( 0.000 -1.452 -0.000) 1.452 4.739 ( -0.000 4.540 0.000) 4.540 4.825 ( 0.000 8.705 0.000) 8.705 4.884 ( 0.000 -5.322 -0.000) 5.322 5.002 ( -0.000 -4.631 0.000) 4.631 5.167 ( 0.000 -3.852 0.000) 3.852 5.312 ( 0.000 -0.054 0.000) 0.054 5.364 ( 0.000 -1.445 -0.000) 1.445 5.433 ( 0.000 -2.216 -0.000) 2.216 5.523 ( 0.000 0.095 0.000) 0.095 5.610 ( -0.000 9.292 0.000) 9.292 5.706 ( 0.000 -7.317 -0.000) 7.317 5.847 ( 0.000 -2.752 0.000) 2.752 5.866 ( -0.000 -0.642 -0.000) 0.642 6.090 ( 0.000 -8.399 -0.000) 8.399 6.099 ( -0.000 -2.824 0.000) 2.824 6.302 ( 0.000 -4.918 0.000) 4.918 6.562 ( 0.000 2.961 0.000) 2.961 6.567 ( 0.000 2.789 -0.000) 2.789 6.793 ( 0.000 5.919 -0.000) 5.919 6.981 ( 0.000 -4.996 0.000) 4.996 7.319 ( 0.000 14.034 -0.000) 14.034 7.342 ( 0.000 4.820 -0.000) 4.820 7.569 ( 0.000 3.985 0.000) 3.985 7.785 ( 0.000 -0.629 0.000) 0.629 8.048 ( 0.000 -0.138 0.000) 0.138 8.163 ( 0.000 -8.204 0.000) 8.204 8.237 ( 0.000 -5.672 0.000) 5.672 8.311 ( 0.000 -0.780 0.000) 0.780 8.559 ( 0.000 -1.206 0.000) 1.206 8.681 ( -0.000 -3.291 0.000) 3.291 8.896 ( 0.000 0.911 0.000) 0.911 9.009 ( 0.000 -3.490 0.000) 3.490 9.668 ( 0.000 11.056 0.000) 11.056 9.976 ( 0.000 9.508 0.000) 9.508 10.044 ( 0.000 -5.021 0.000) 5.021 10.213 ( 0.000 1.576 0.000) 1.576 10.314 ( 0.000 4.349 0.000) 4.349 10.408 ( 0.000 -4.225 -0.000) 4.225 10.583 ( 0.000 2.694 0.000) 2.694 10.756 ( 0.000 -1.885 0.000) 1.885 10.823 ( 0.000 -0.023 0.000) 0.023 10.879 ( 0.000 -0.970 0.000) 0.970 11.032 ( 0.000 -11.614 0.000) 11.614 11.221 ( 0.000 -8.691 0.000) 8.691 12.683 ( 0.000 1.249 0.000) 1.249 12.693 ( 0.000 1.380 0.000) 1.380 12.845 ( -0.000 1.957 0.000) 1.957 12.869 ( 0.000 1.418 0.000) 1.418 13.998 ( 0.000 -0.561 0.000) 0.561 14.038 ( 0.000 -3.080 0.000) 3.080 14.195 ( 0.000 1.906 0.000) 1.906 14.349 ( 0.000 -4.755 0.000) 4.755 14.807 ( 0.000 2.164 0.000) 2.164 14.875 ( 0.000 -1.100 0.000) 1.100 14.994 ( 0.000 2.137 0.000) 2.137 15.063 ( 0.000 -0.474 0.000) 0.474 15.572 ( 0.000 2.858 0.000) 2.858 15.634 ( 0.000 -0.885 0.000) 0.885 15.823 ( 0.000 6.487 0.000) 6.487 15.938 ( 0.000 1.117 0.000) 1.117 15.969 ( 0.000 0.062 0.000) 0.062 16.016 ( 0.000 -2.055 0.000) 2.055 16.170 ( 0.000 4.506 0.000) 4.506 16.233 ( 0.000 0.536 0.000) 0.536 16.790 ( 0.000 -1.266 -0.000) 1.266 16.845 ( 0.000 -2.930 0.000) 2.930 16.864 ( -0.000 1.007 -0.000) 1.007 16.919 ( 0.000 -2.332 0.000) 2.332 17.793 ( 0.000 0.644 0.000) 0.644 17.860 ( 0.000 -1.433 -0.000) 1.433 17.862 ( 0.000 -2.855 0.000) 2.855 17.932 ( 0.000 -3.797 0.000) 3.797 21.620 ( 0.000 2.648 0.000) 2.648 21.653 ( 0.000 1.032 0.000) 1.032 21.739 ( 0.000 1.121 0.000) 1.121 21.769 ( 0.000 -0.449 0.000) 0.449 27.073 ( -0.000 0.857 0.000) 0.857 27.074 ( 0.000 1.062 0.000) 1.062 27.288 ( 0.000 1.520 0.000) 1.520 27.314 ( 0.000 0.337 0.000) 0.337 28.874 ( -0.000 0.087 -0.000) 0.087 28.877 ( 0.000 -0.174 0.000) 0.174 28.932 ( -0.000 0.845 0.000) 0.845 28.940 ( 0.000 0.588 0.000) 0.588 29.920 ( 0.000 0.909 0.000) 0.909 29.986 ( 0.000 -1.912 0.000) 1.912 30.091 ( -0.000 -0.439 0.000) 0.439 30.093 ( 0.000 -0.434 -0.000) 0.434 30.897 ( 0.000 2.557 0.000) 2.557 30.946 ( 0.000 -0.031 0.000) 0.031 31.147 ( 0.000 1.984 -0.000) 1.984 31.168 ( -0.000 0.632 0.000) 0.632 31.624 ( 0.000 2.026 0.000) 2.026 31.734 ( 0.000 -2.718 0.000) 2.718 31.841 ( 0.000 0.476 0.000) 0.476 31.915 ( 0.000 -1.418 0.000) 1.418 32.663 ( 0.000 14.454 0.000) 14.454 32.976 ( 0.000 8.132 0.000) 8.132 33.189 ( 0.000 -7.118 -0.000) 7.118 33.437 ( 0.000 -10.995 0.000) 10.995 33.751 ( 0.000 4.283 -0.000) 4.283 34.107 ( 0.000 -13.750 -0.000) 13.750 34.117 ( -0.000 10.661 0.000) 10.661 34.534 ( 0.000 -8.531 0.000) 8.531 ======================= Grid point 33 (19/88) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 0.000 -18.717 0.000) 18.717 1.592 ( 0.000 18.717 0.000) 18.717 1.969 ( 0.000 -24.620 0.000) 24.620 1.969 ( 0.000 24.620 0.000) 24.620 2.113 ( 0.000 -4.313 0.000) 4.313 2.113 ( 0.000 4.313 0.000) 4.313 2.562 ( 0.000 -8.985 0.000) 8.985 2.562 ( 0.000 8.985 0.000) 8.985 2.860 ( 0.000 -8.949 0.000) 8.949 2.860 ( 0.000 8.949 0.000) 8.949 3.036 ( 0.000 -3.993 0.000) 3.993 3.036 ( 0.000 3.993 0.000) 3.993 3.141 ( 0.000 -2.044 0.000) 2.044 3.141 ( 0.000 2.044 0.000) 2.044 3.302 ( 0.000 -0.772 0.000) 0.772 3.302 ( 0.000 0.772 0.000) 0.772 3.609 ( 0.000 -3.505 0.000) 3.505 3.609 ( 0.000 3.505 0.000) 3.505 3.673 ( 0.000 -0.001 0.000) 0.001 3.673 ( 0.000 0.001 0.000) 0.001 3.837 ( 0.000 -3.371 0.000) 3.371 3.837 ( 0.000 3.371 0.000) 3.371 3.889 ( 0.000 -9.937 0.000) 9.937 3.889 ( 0.000 9.937 0.000) 9.937 4.338 ( 0.000 -1.543 0.000) 1.543 4.338 ( 0.000 1.543 0.000) 1.543 4.611 ( 0.000 -11.187 0.000) 11.187 4.611 ( 0.000 11.187 0.000) 11.187 4.643 ( 0.000 -11.619 0.000) 11.619 4.643 ( 0.000 11.619 0.000) 11.619 4.876 ( 0.000 -9.288 0.000) 9.288 4.876 ( 0.000 9.288 0.000) 9.288 5.008 ( 0.000 -0.855 0.000) 0.855 5.008 ( 0.000 0.855 0.000) 0.855 5.183 ( 0.000 -1.144 0.000) 1.144 5.183 ( 0.000 1.144 0.000) 1.144 5.428 ( 0.000 -6.507 0.000) 6.507 5.428 ( 0.000 6.507 0.000) 6.507 5.667 ( 0.000 -9.422 0.000) 9.422 5.667 ( 0.000 9.422 0.000) 9.422 6.005 ( 0.000 -11.808 0.000) 11.808 6.005 ( 0.000 11.808 0.000) 11.808 6.223 ( 0.000 -0.100 0.000) 0.100 6.223 ( 0.000 0.100 0.000) 0.100 6.661 ( 0.000 -3.497 0.000) 3.497 6.661 ( 0.000 3.497 0.000) 3.497 7.176 ( 0.000 -5.181 0.000) 5.181 7.176 ( 0.000 5.181 0.000) 5.181 7.480 ( 0.000 -10.434 0.000) 10.434 7.480 ( 0.000 10.434 0.000) 10.434 7.815 ( 0.000 -5.945 0.000) 5.945 7.815 ( 0.000 5.945 0.000) 5.945 8.064 ( 0.000 -3.696 0.000) 3.696 8.064 ( 0.000 3.696 0.000) 3.696 8.475 ( 0.000 -8.384 0.000) 8.384 8.475 ( 0.000 8.384 0.000) 8.384 8.604 ( 0.000 -0.867 0.000) 0.867 8.604 ( 0.000 0.867 0.000) 0.867 8.906 ( 0.000 -4.522 0.000) 4.522 8.906 ( 0.000 4.522 0.000) 4.522 9.887 ( 0.000 -1.184 0.000) 1.184 9.887 ( 0.000 1.184 0.000) 1.184 10.269 ( 0.000 -6.822 0.000) 6.822 10.269 ( 0.000 6.822 0.000) 6.822 10.477 ( 0.000 -13.549 0.000) 13.549 10.477 ( 0.000 13.549 0.000) 13.549 10.538 ( 0.000 -5.093 0.000) 5.093 10.538 ( 0.000 5.093 0.000) 5.093 10.819 ( 0.000 -6.068 0.000) 6.068 10.819 ( 0.000 6.068 0.000) 6.068 11.085 ( 0.000 -3.833 0.000) 3.833 11.085 ( 0.000 3.833 0.000) 3.833 12.652 ( 0.000 -0.504 0.000) 0.504 12.652 ( 0.000 0.504 0.000) 0.504 12.774 ( 0.000 -3.540 0.000) 3.540 12.774 ( 0.000 3.540 0.000) 3.540 14.103 ( 0.000 -4.615 0.000) 4.615 14.103 ( 0.000 4.615 0.000) 4.615 14.331 ( 0.000 -1.993 0.000) 1.993 14.331 ( 0.000 1.993 0.000) 1.993 14.632 ( 0.000 -7.570 0.000) 7.570 14.632 ( 0.000 7.570 0.000) 7.570 15.406 ( 0.000 -1.656 0.000) 1.656 15.406 ( 0.000 1.656 0.000) 1.656 15.830 ( 0.000 -3.351 0.000) 3.351 15.830 ( 0.000 3.351 0.000) 3.351 15.887 ( 0.000 -1.659 0.000) 1.659 15.887 ( 0.000 1.659 0.000) 1.659 15.938 ( 0.000 -3.349 0.000) 3.349 15.938 ( 0.000 3.349 0.000) 3.349 16.194 ( 0.000 -1.399 0.000) 1.399 16.194 ( 0.000 1.399 0.000) 1.399 16.708 ( 0.000 -2.023 0.000) 2.023 16.708 ( 0.000 2.023 0.000) 2.023 16.896 ( 0.000 -3.602 0.000) 3.602 16.896 ( 0.000 3.602 0.000) 3.602 17.918 ( 0.000 -5.992 0.000) 5.992 17.918 ( 0.000 5.992 0.000) 5.992 18.103 ( 0.000 -1.372 0.000) 1.372 18.103 ( 0.000 1.372 0.000) 1.372 21.661 ( 0.000 -1.395 0.000) 1.395 21.661 ( 0.000 1.395 0.000) 1.395 21.998 ( 0.000 -2.633 0.000) 2.633 21.998 ( 0.000 2.633 0.000) 2.633 27.185 ( 0.000 -1.179 0.000) 1.179 27.185 ( 0.000 1.179 0.000) 1.179 28.118 ( 0.000 -7.011 0.000) 7.011 28.118 ( 0.000 7.011 0.000) 7.011 28.783 ( 0.000 -0.130 0.000) 0.130 28.783 ( 0.000 0.130 0.000) 0.130 29.181 ( 0.000 -3.448 0.000) 3.448 29.181 ( 0.000 3.448 0.000) 3.448 29.950 ( 0.000 -1.510 0.000) 1.510 29.950 ( 0.000 1.510 0.000) 1.510 30.511 ( 0.000 -2.567 0.000) 2.567 30.511 ( 0.000 2.567 0.000) 2.567 30.600 ( 0.000 -3.619 0.000) 3.619 30.600 ( 0.000 3.619 0.000) 3.619 31.166 ( 0.000 -2.117 0.000) 2.117 31.166 ( 0.000 2.117 0.000) 2.117 31.646 ( 0.000 -0.628 0.000) 0.628 31.646 ( 0.000 0.628 0.000) 0.628 31.820 ( 0.000 -0.319 0.000) 0.319 31.820 ( 0.000 0.319 0.000) 0.319 32.328 ( 0.000 -0.273 0.000) 0.273 32.328 ( 0.000 0.273 0.000) 0.273 32.739 ( 0.000 -6.055 0.000) 6.055 32.739 ( 0.000 6.055 0.000) 6.055 33.848 ( 0.000 -0.344 0.000) 0.344 33.848 ( 0.000 0.344 0.000) 0.344 34.161 ( 0.000 -7.171 0.000) 7.171 34.161 ( 0.000 7.171 0.000) 7.171 ======================= Grid point 35 (20/88) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 5.090 -10.958 -5.563) 13.302 1.617 ( 5.090 10.958 -5.563) 13.302 1.935 ( -1.446 -15.391 5.631) 16.452 1.935 ( -1.446 15.391 5.631) 16.452 2.307 ( 12.855 -5.079 6.720) 15.369 2.307 ( 12.855 5.079 6.720) 15.369 2.591 ( 1.859 -8.271 -0.232) 8.481 2.591 ( 1.859 8.271 -0.232) 8.481 2.827 ( 0.519 -3.965 -4.165) 5.774 2.827 ( 0.519 3.965 -4.165) 5.774 3.083 ( 5.332 -9.079 -2.110) 10.738 3.083 ( 5.332 9.079 -2.110) 10.738 3.198 ( 3.108 -2.907 3.354) 5.418 3.198 ( 3.108 2.907 3.354) 5.418 3.398 ( 8.214 -3.243 1.684) 8.990 3.398 ( 8.214 3.243 1.684) 8.990 3.575 ( -2.542 -3.062 -2.099) 4.499 3.575 ( -2.542 3.062 -2.099) 4.499 3.657 ( -0.689 -2.095 -0.884) 2.376 3.657 ( -0.689 2.095 -0.884) 2.376 3.877 ( 2.861 -10.038 -6.207) 12.144 3.877 ( 2.861 10.038 -6.207) 12.144 3.919 ( 5.861 -7.301 4.974) 10.601 3.919 ( 5.861 7.301 4.974) 10.601 4.307 ( -1.511 -2.425 -1.604) 3.277 4.307 ( -1.511 2.425 -1.604) 3.277 4.617 ( 0.869 -7.829 -2.181) 8.174 4.617 ( 0.869 7.829 -2.181) 8.174 4.702 ( 3.411 -11.246 3.095) 12.152 4.702 ( 3.411 11.246 3.095) 12.152 4.882 ( -0.064 -8.154 1.890) 8.370 4.882 ( -0.064 8.154 1.890) 8.370 5.085 ( 6.527 -1.248 0.951) 6.713 5.085 ( 6.527 1.248 0.951) 6.713 5.183 ( -0.115 -2.182 1.187) 2.487 5.183 ( -0.115 2.182 1.187) 2.487 5.394 ( -2.521 -6.005 -1.327) 6.646 5.394 ( -2.521 6.005 -1.327) 6.646 5.679 ( 0.532 -9.079 0.505) 9.109 5.679 ( 0.532 9.079 0.505) 9.109 5.961 ( -3.167 -10.024 -1.574) 10.629 5.961 ( -3.167 10.024 -1.574) 10.629 6.210 ( -1.625 -2.131 0.435) 2.715 6.210 ( -1.625 2.131 0.435) 2.715 6.650 ( -0.483 -3.647 -1.627) 4.023 6.650 ( -0.483 3.647 -1.627) 4.023 7.125 ( -5.994 -5.375 2.767) 8.513 7.125 ( -5.994 5.375 2.767) 8.513 7.481 ( -0.189 -9.387 0.678) 9.414 7.481 ( -0.189 9.387 0.678) 9.414 7.816 ( 0.303 -6.475 -1.870) 6.746 7.816 ( 0.303 6.475 -1.870) 6.746 8.058 ( -0.464 -2.924 0.627) 3.026 8.058 ( -0.464 2.924 0.627) 3.026 8.445 ( -0.785 -8.026 -4.561) 9.265 8.445 ( -0.785 8.026 -4.561) 9.265 8.597 ( -1.603 -1.062 1.718) 2.579 8.597 ( -1.603 1.062 1.718) 2.579 8.920 ( 1.029 -6.218 0.868) 6.362 8.920 ( 1.029 6.218 0.868) 6.362 9.922 ( 1.657 -3.593 2.751) 4.819 9.922 ( 1.657 3.593 2.751) 4.819 10.250 ( -1.513 -5.793 -1.461) 6.163 10.250 ( -1.513 5.793 -1.461) 6.163 10.487 ( 0.875 -8.501 1.225) 8.633 10.487 ( 0.875 8.501 1.225) 8.633 10.550 ( 1.515 -3.779 -0.797) 4.149 10.550 ( 1.515 3.779 -0.797) 4.149 10.811 ( -1.455 -5.966 1.429) 6.305 10.811 ( -1.455 5.966 1.429) 6.305 11.065 ( -0.901 -4.200 -2.379) 4.911 11.065 ( -0.901 4.200 -2.379) 4.911 12.666 ( 1.128 -2.570 0.234) 2.816 12.666 ( 1.128 2.570 0.234) 2.816 12.781 ( 0.833 -3.488 0.032) 3.586 12.781 ( 0.833 3.488 0.032) 3.586 14.094 ( -0.869 -4.062 -0.241) 4.161 14.094 ( -0.869 4.062 -0.241) 4.161 14.306 ( -2.471 -1.958 0.779) 3.247 14.306 ( -2.471 1.958 0.779) 3.247 14.639 ( 1.124 -6.767 -1.121) 6.951 14.639 ( 1.124 6.767 -1.121) 6.951 15.383 ( -2.168 -2.685 -0.137) 3.454 15.383 ( -2.168 2.685 -0.137) 3.454 15.820 ( -1.811 -2.633 -0.572) 3.247 15.820 ( -1.811 2.633 -0.572) 3.247 15.882 ( -0.458 -1.832 0.142) 1.894 15.882 ( -0.458 1.832 0.142) 1.894 15.922 ( -1.151 -4.754 0.178) 4.894 15.922 ( -1.151 4.754 0.178) 4.894 16.195 ( 0.568 -3.420 -0.406) 3.490 16.195 ( 0.568 3.420 -0.406) 3.490 16.725 ( 1.158 -1.414 1.245) 2.212 16.725 ( 1.158 1.414 1.245) 2.212 16.895 ( 0.341 -4.544 -1.120) 4.692 16.895 ( 0.341 4.544 -1.120) 4.692 17.891 ( -2.668 -6.125 0.232) 6.685 17.891 ( -2.668 6.125 0.232) 6.685 18.075 ( -2.166 -1.342 -1.374) 2.895 18.075 ( -2.166 1.342 -1.374) 2.895 21.667 ( -0.050 -2.034 1.517) 2.538 21.667 ( -0.050 2.034 1.517) 2.538 21.961 ( -3.412 -2.434 -0.630) 4.238 21.961 ( -3.412 2.434 -0.630) 4.238 27.191 ( -0.756 -0.974 3.199) 3.429 27.191 ( -0.756 0.974 3.199) 3.429 27.987 ( -10.790 -4.827 -4.767) 12.745 27.987 ( -10.790 4.827 -4.767) 12.745 28.792 ( 0.736 -0.354 0.544) 0.982 28.792 ( 0.736 0.354 0.544) 0.982 29.139 ( -3.552 -2.137 -0.298) 4.156 29.139 ( -3.552 2.137 -0.298) 4.156 29.953 ( -0.789 -0.834 2.432) 2.689 29.953 ( -0.789 0.834 2.432) 2.689 30.453 ( -5.377 -2.413 0.470) 5.912 30.453 ( -5.377 2.413 0.470) 5.912 30.634 ( 2.876 -3.159 0.088) 4.272 30.634 ( 2.876 3.159 0.088) 4.272 31.177 ( 1.054 -1.257 -0.432) 1.697 31.177 ( 1.054 1.257 -0.432) 1.697 31.687 ( 1.616 -2.431 0.013) 2.919 31.687 ( 1.616 2.431 0.013) 2.919 31.775 ( 1.396 -1.060 -4.207) 4.558 31.775 ( 1.396 1.060 -4.207) 4.558 32.497 ( 11.312 -5.336 6.521) 14.105 32.497 ( 11.312 5.336 6.521) 14.105 32.782 ( 5.651 -5.342 -2.790) 8.262 32.782 ( 5.651 5.342 -2.790) 8.262 33.837 ( -1.211 -1.301 0.517) 1.851 33.837 ( -1.211 1.301 0.517) 1.851 34.159 ( 0.622 -8.379 -1.169) 8.483 34.159 ( 0.622 8.379 -1.169) 8.483 ======================= Grid point 37 (21/88) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 8.695 -2.589 -2.873) 9.516 1.708 ( 8.695 2.589 -2.873) 9.516 2.054 ( 9.084 -5.798 5.439) 12.072 2.054 ( 9.084 5.798 5.439) 12.072 2.514 ( -0.609 -0.036 0.638) 0.883 2.514 ( -0.609 0.036 0.638) 0.883 2.656 ( 11.017 -2.879 -0.809) 11.415 2.656 ( 11.017 2.879 -0.809) 11.415 2.898 ( 6.951 -6.013 3.781) 9.938 2.898 ( 6.951 6.013 3.781) 9.938 3.132 ( -0.283 -6.842 -0.474) 6.865 3.132 ( -0.283 6.842 -0.474) 6.865 3.286 ( 3.474 -2.039 -1.231) 4.212 3.286 ( 3.474 2.039 -1.231) 4.212 3.514 ( 1.173 -1.402 -0.954) 2.062 3.514 ( 1.173 1.402 -0.954) 2.062 3.520 ( 1.400 -0.959 -1.385) 2.190 3.520 ( 1.400 0.959 -1.385) 2.190 3.690 ( 2.355 -4.613 2.137) 5.603 3.690 ( 2.355 4.613 2.137) 5.603 3.933 ( 8.631 -11.033 -6.031) 15.251 3.933 ( 8.631 11.033 -6.031) 15.251 4.093 ( 7.281 -3.809 3.878) 9.086 4.093 ( 7.281 3.809 3.878) 9.086 4.283 ( 0.311 -4.099 -1.152) 4.269 4.283 ( 0.311 4.099 -1.152) 4.269 4.601 ( 1.310 -6.388 -5.679) 8.648 4.601 ( 1.310 6.388 -5.679) 8.648 4.787 ( 2.696 -6.408 3.327) 7.707 4.787 ( 2.696 6.408 3.327) 7.707 4.916 ( 4.246 -9.025 -0.113) 9.975 4.916 ( 4.246 9.025 -0.113) 9.975 5.181 ( -1.153 -1.827 2.571) 3.358 5.181 ( -1.153 1.827 2.571) 3.358 5.208 ( 0.988 -2.561 3.224) 4.234 5.208 ( 0.988 2.561 3.224) 4.234 5.364 ( 2.220 -5.138 -0.415) 5.613 5.364 ( 2.220 5.138 -0.415) 5.613 5.670 ( -1.543 -7.428 -0.412) 7.598 5.670 ( -1.543 7.428 -0.412) 7.598 5.904 ( -1.180 -7.445 -1.409) 7.669 5.904 ( -1.180 7.445 -1.409) 7.669 6.179 ( -1.384 -3.887 0.037) 4.126 6.179 ( -1.384 3.887 0.037) 4.126 6.617 ( -1.700 -3.730 -1.496) 4.364 6.617 ( -1.700 3.730 -1.496) 4.364 7.023 ( -5.957 -5.530 1.782) 8.321 7.023 ( -5.957 5.530 1.782) 8.321 7.482 ( -0.563 -6.193 1.249) 6.343 7.482 ( -0.563 6.193 1.249) 6.343 7.786 ( -1.500 -4.930 -2.030) 5.539 7.786 ( -1.500 4.930 -2.030) 5.539 8.067 ( 0.129 -3.600 1.863) 4.056 8.067 ( 0.129 3.600 1.863) 4.056 8.383 ( -2.325 -7.708 -4.016) 8.997 8.383 ( -2.325 7.708 -4.016) 8.997 8.578 ( -1.200 -3.277 1.040) 3.642 8.578 ( -1.200 3.277 1.040) 3.642 8.950 ( 1.171 -7.973 0.643) 8.084 8.950 ( 1.171 7.973 0.643) 8.084 9.955 ( -0.516 -8.282 1.955) 8.525 9.955 ( -0.516 8.282 1.955) 8.525 10.198 ( -2.114 -5.741 -1.752) 6.364 10.198 ( -2.114 5.741 -1.752) 6.364 10.501 ( 0.428 -1.368 -2.791) 3.137 10.501 ( 0.428 1.368 -2.791) 3.137 10.602 ( 3.057 -5.300 3.395) 6.998 10.602 ( 3.057 5.300 3.395) 6.998 10.790 ( -2.110 -5.693 2.146) 6.440 10.790 ( -2.110 5.693 2.146) 6.440 11.029 ( -0.644 -6.201 -2.310) 6.648 11.029 ( -0.644 6.201 -2.310) 6.648 12.686 ( 0.800 -4.481 -0.144) 4.554 12.686 ( 0.800 4.481 -0.144) 4.554 12.807 ( 1.711 -3.926 0.196) 4.287 12.807 ( 1.711 3.926 0.196) 4.287 14.066 ( -1.640 -2.497 -0.658) 3.059 14.066 ( -1.640 2.497 -0.658) 3.059 14.270 ( -1.807 -2.165 1.121) 3.035 14.270 ( -1.807 2.165 1.121) 3.035 14.658 ( 2.185 -4.843 -1.602) 5.549 14.658 ( 2.185 4.843 -1.602) 5.549 15.329 ( -3.615 -3.624 0.247) 5.125 15.329 ( -3.615 3.624 0.247) 5.125 15.738 ( -5.112 -2.821 -1.130) 5.948 15.738 ( -5.112 2.821 -1.130) 5.948 15.881 ( 0.393 -0.928 0.137) 1.017 15.881 ( 0.393 0.928 0.137) 1.017 15.921 ( 0.672 -3.099 0.277) 3.183 15.921 ( 0.672 3.099 0.277) 3.183 16.211 ( 0.864 -4.005 0.440) 4.121 16.211 ( 0.864 4.005 0.440) 4.121 16.765 ( 1.644 -1.918 1.777) 3.089 16.765 ( 1.644 1.918 1.777) 3.089 16.888 ( 0.196 -5.027 -2.117) 5.458 16.888 ( 0.196 5.027 -2.117) 5.458 17.842 ( -2.326 -5.257 0.431) 5.765 17.842 ( -2.326 5.257 0.431) 5.765 18.012 ( -3.301 -1.646 -0.951) 3.810 18.012 ( -3.301 1.646 -0.951) 3.810 21.678 ( -0.319 -3.125 2.042) 3.747 21.678 ( -0.319 3.125 2.042) 3.747 21.877 ( -4.233 -2.429 -1.102) 5.003 21.877 ( -4.233 2.429 -1.102) 5.003 27.203 ( -1.142 -0.564 4.339) 4.522 27.203 ( -1.142 0.564 4.339) 4.522 27.700 ( -13.928 -1.525 -5.344) 14.996 27.700 ( -13.928 1.525 -5.344) 14.996 28.815 ( 1.154 -0.592 0.648) 1.450 28.815 ( 1.154 0.592 0.648) 1.450 29.067 ( -3.560 -0.828 -0.298) 3.668 29.067 ( -3.560 0.828 -0.298) 3.668 29.957 ( -0.677 -0.303 2.171) 2.294 29.957 ( -0.677 0.303 2.171) 2.294 30.337 ( -6.853 -1.542 -0.071) 7.024 30.337 ( -6.853 1.542 -0.071) 7.024 30.701 ( 4.262 -2.527 -0.001) 4.955 30.701 ( 4.262 2.527 -0.001) 4.955 31.192 ( 0.763 -1.401 -0.166) 1.604 31.192 ( 0.763 1.401 -0.166) 1.604 31.653 ( -0.360 -3.242 -4.877) 5.867 31.653 ( -0.360 3.242 -4.877) 5.867 31.867 ( 4.994 -5.511 3.018) 8.026 31.867 ( 4.994 5.511 3.018) 8.026 32.730 ( 8.180 -9.130 2.594) 12.530 32.730 ( 8.180 9.130 2.594) 12.530 32.908 ( 9.240 -6.338 -1.473) 11.301 32.908 ( 9.240 6.338 -1.473) 11.301 33.820 ( -1.026 -3.489 1.213) 3.833 33.820 ( -1.026 3.489 1.213) 3.833 34.180 ( 3.012 -10.432 -1.698) 10.990 34.180 ( 3.012 10.432 -1.698) 10.990 ======================= Grid point 39 (22/88) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 13.208 -6.650 0.457) 14.795 1.909 ( 13.208 6.650 0.457) 14.795 2.299 ( 10.820 -4.412 0.857) 11.717 2.299 ( 10.820 4.412 0.857) 11.717 2.483 ( 1.906 -6.812 -0.114) 7.074 2.483 ( 1.906 6.812 -0.114) 7.074 2.835 ( 8.277 -0.314 -4.806) 9.576 2.835 ( 8.277 0.314 -4.806) 9.576 3.046 ( 0.335 -2.814 4.924) 5.682 3.046 ( 0.335 2.814 4.924) 5.682 3.092 ( -0.662 -6.254 0.097) 6.290 3.092 ( -0.662 6.254 0.097) 6.290 3.319 ( 3.088 -3.318 -0.243) 4.539 3.319 ( 3.088 3.318 -0.243) 4.539 3.495 ( -1.676 -2.333 -0.255) 2.884 3.495 ( -1.676 2.333 -0.255) 2.884 3.547 ( -1.188 -3.357 -0.763) 3.642 3.547 ( -1.188 3.357 -0.763) 3.642 3.716 ( 0.466 -1.491 -0.040) 1.562 3.716 ( 0.466 1.491 -0.040) 1.562 4.022 ( 3.637 -2.096 -2.001) 4.650 4.022 ( 3.637 2.096 -2.001) 4.650 4.189 ( -2.057 -4.386 -0.365) 4.858 4.189 ( -2.057 4.386 -0.365) 4.858 4.345 ( 9.075 -4.217 0.576) 10.024 4.345 ( 9.075 4.217 0.576) 10.024 4.617 ( 5.005 -9.282 -5.053) 11.694 4.617 ( 5.005 9.282 -5.053) 11.694 4.853 ( 0.553 -1.918 3.304) 3.860 4.853 ( 0.553 1.918 3.304) 3.860 5.055 ( 5.462 -10.498 0.942) 11.871 5.055 ( 5.462 10.498 0.942) 11.871 5.087 ( -3.036 -1.371 -0.188) 3.337 5.087 ( -3.036 1.371 -0.188) 3.337 5.254 ( -0.840 -3.035 4.798) 5.740 5.254 ( -0.840 3.035 4.798) 5.740 5.457 ( 7.112 -1.817 0.041) 7.340 5.457 ( 7.112 1.817 0.041) 7.340 5.650 ( 0.974 -7.113 -2.677) 7.662 5.650 ( 0.974 7.113 -2.677) 7.662 5.884 ( -1.195 -4.589 1.639) 5.017 5.884 ( -1.195 4.589 1.639) 5.017 6.171 ( 1.205 -5.853 -1.548) 6.172 6.171 ( 1.205 5.853 -1.548) 6.172 6.578 ( -1.010 -1.997 -0.593) 2.315 6.578 ( -1.010 1.997 -0.593) 2.315 6.945 ( -2.962 -5.570 -0.260) 6.314 6.945 ( -2.962 5.570 -0.260) 6.314 7.475 ( -1.077 -3.472 0.818) 3.726 7.475 ( -1.077 3.472 0.818) 3.726 7.746 ( -1.434 -4.195 -0.670) 4.483 7.746 ( -1.434 4.195 -0.670) 4.483 8.075 ( -1.222 -2.872 2.302) 3.879 8.075 ( -1.222 2.872 2.302) 3.879 8.303 ( -3.324 -5.992 -2.231) 7.206 8.303 ( -3.324 5.992 -2.231) 7.206 8.576 ( 0.157 -4.707 0.863) 4.788 8.576 ( 0.157 4.707 0.863) 4.788 8.964 ( 0.071 -7.958 -0.357) 7.966 8.964 ( 0.071 7.958 -0.357) 7.966 9.935 ( -2.256 -10.574 0.799) 10.842 9.935 ( -2.256 10.574 0.799) 10.842 10.158 ( -0.962 -5.729 -0.773) 5.860 10.158 ( -0.962 5.729 -0.773) 5.860 10.467 ( -0.783 -0.871 -4.480) 4.631 10.467 ( -0.783 0.871 -4.480) 4.631 10.675 ( 1.198 -2.572 2.254) 3.624 10.675 ( 1.198 2.572 2.254) 3.624 10.778 ( -0.630 -7.294 2.899) 7.874 10.778 ( -0.630 7.294 2.899) 7.874 11.013 ( -0.014 -8.965 -0.210) 8.968 11.013 ( -0.014 8.965 -0.210) 8.968 12.695 ( 0.366 -3.764 -0.137) 3.784 12.695 ( 0.366 3.764 -0.137) 3.784 12.842 ( 1.741 -3.132 -0.086) 3.585 12.842 ( 1.741 3.132 -0.086) 3.585 14.030 ( -1.383 -1.210 -0.764) 1.990 14.030 ( -1.383 1.210 -0.764) 1.990 14.257 ( -0.569 -2.884 0.808) 3.049 14.257 ( -0.569 2.884 0.808) 3.049 14.703 ( 3.779 -2.726 -1.174) 4.806 14.703 ( 3.779 2.726 -1.174) 4.806 15.244 ( -5.803 -3.196 0.273) 6.630 15.244 ( -5.803 3.196 0.273) 6.630 15.651 ( -2.942 -2.756 -0.364) 4.047 15.651 ( -2.942 2.756 -0.364) 4.047 15.898 ( 1.253 -1.117 0.029) 1.679 15.898 ( 1.253 1.117 0.029) 1.679 15.940 ( 0.923 -2.794 0.422) 2.973 15.940 ( 0.923 2.794 0.422) 2.973 16.226 ( 0.160 -3.430 0.665) 3.498 16.226 ( 0.160 3.430 0.665) 3.498 16.805 ( 1.230 -1.286 0.858) 1.975 16.805 ( 1.230 1.286 0.858) 1.975 16.871 ( -0.127 -3.315 -1.873) 3.809 16.871 ( -0.127 3.315 -1.873) 3.809 17.817 ( -0.812 -3.248 0.616) 3.404 17.817 ( -0.812 3.248 0.616) 3.404 17.943 ( -3.441 -2.170 -0.234) 4.075 17.943 ( -3.441 2.170 -0.234) 4.075 21.682 ( -0.879 -4.008 1.442) 4.349 21.682 ( -0.879 4.008 1.442) 4.349 21.801 ( -2.754 -3.237 -0.931) 4.351 21.801 ( -2.754 3.237 -0.931) 4.351 27.204 ( -1.704 -0.188 1.169) 2.074 27.204 ( -1.704 0.188 1.169) 2.074 27.433 ( -10.506 -0.231 -1.369) 10.598 27.433 ( -10.506 0.231 -1.369) 10.598 28.842 ( 1.277 -0.574 0.220) 1.417 28.842 ( 1.277 0.574 0.220) 1.417 29.005 ( -2.802 -0.429 -0.131) 2.838 29.005 ( -2.802 0.429 -0.131) 2.838 29.960 ( -0.189 -0.926 0.427) 1.037 29.960 ( -0.189 0.926 0.427) 1.037 30.209 ( -6.248 -0.119 -0.084) 6.250 30.209 ( -6.248 0.119 -0.084) 6.250 30.792 ( 5.281 -2.918 -0.057) 6.034 30.792 ( 5.281 2.918 -0.057) 6.034 31.200 ( -0.245 -3.304 0.577) 3.363 31.200 ( -0.245 3.304 0.577) 3.363 31.629 ( 1.129 -3.121 -3.010) 4.480 31.629 ( 1.129 3.121 -3.010) 4.480 31.939 ( -0.039 -6.567 2.266) 6.947 31.939 ( -0.039 6.567 2.266) 6.947 32.859 ( 6.107 -12.882 -1.589) 14.345 32.859 ( 6.107 12.882 -1.589) 14.345 33.064 ( 6.304 -12.549 1.362) 14.109 33.064 ( 6.304 12.549 1.362) 14.109 33.828 ( 0.797 -5.862 1.395) 6.078 33.828 ( 0.797 5.862 1.395) 6.078 34.242 ( 4.382 -11.197 -1.328) 12.097 34.242 ( 4.382 11.197 -1.328) 12.097 ======================= Grid point 41 (23/88) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 11.491 -6.902 0.904) 13.435 2.165 ( 11.491 6.902 0.904) 13.435 2.346 ( -0.031 -6.794 -4.013) 7.891 2.346 ( -0.031 6.794 -4.013) 7.891 2.673 ( 10.892 -8.408 3.374) 14.168 2.673 ( 10.892 8.408 3.374) 14.168 2.886 ( 1.065 -2.060 -1.414) 2.716 2.886 ( 1.065 2.060 -1.414) 2.716 3.030 ( 1.896 -2.513 -4.099) 5.168 3.030 ( 1.896 2.513 -4.099) 5.168 3.122 ( 1.620 -2.555 1.474) 3.365 3.122 ( 1.620 2.555 1.474) 3.365 3.329 ( -4.432 -4.597 -2.092) 6.719 3.329 ( -4.432 4.597 -2.092) 6.719 3.416 ( -8.214 -9.341 4.233) 13.140 3.416 ( -8.214 9.341 4.233) 13.140 3.508 ( -0.198 -2.118 0.240) 2.141 3.508 ( -0.198 2.118 0.240) 2.141 3.763 ( 5.116 -1.806 -0.978) 5.512 3.763 ( 5.116 1.806 -0.978) 5.512 4.067 ( 0.530 -5.292 -1.928) 5.657 4.067 ( 0.530 5.292 -1.928) 5.657 4.126 ( -0.369 -8.694 1.686) 8.864 4.126 ( -0.369 8.694 1.686) 8.864 4.506 ( 5.434 -3.872 0.679) 6.707 4.506 ( 5.434 3.872 0.679) 6.707 4.652 ( -0.544 -4.604 -3.325) 5.705 4.652 ( -0.544 4.604 -3.325) 5.705 4.815 ( -3.703 -5.075 2.280) 6.683 4.815 ( -3.703 5.075 2.280) 6.683 4.985 ( -2.314 -2.534 -2.724) 4.381 4.985 ( -2.314 2.534 -2.724) 4.381 5.196 ( 0.316 -6.203 5.953) 8.603 5.196 ( 0.316 6.203 5.953) 8.603 5.315 ( 7.358 -5.472 -0.419) 9.179 5.315 ( 7.358 5.472 -0.419) 9.179 5.588 ( 0.142 -5.370 -0.335) 5.382 5.588 ( 0.142 5.370 -0.335) 5.382 5.663 ( 6.400 -2.913 -0.465) 7.047 5.663 ( 6.400 2.913 -0.465) 7.047 5.895 ( 0.916 -5.673 1.310) 5.894 5.895 ( 0.916 5.673 1.310) 5.894 6.184 ( 1.087 -6.620 -2.171) 7.052 6.184 ( 1.087 6.620 -2.171) 7.052 6.580 ( 1.299 -0.470 -0.106) 1.386 6.580 ( 1.299 0.470 -0.106) 1.386 6.903 ( -1.207 -4.778 -0.653) 4.971 6.903 ( -1.207 4.778 -0.653) 4.971 7.455 ( -1.250 -2.641 0.135) 2.925 7.455 ( -1.250 2.641 0.135) 2.925 7.724 ( -0.756 -6.436 0.163) 6.483 7.724 ( -0.756 6.436 0.163) 6.483 8.059 ( -1.652 -1.547 1.404) 2.663 8.059 ( -1.652 1.547 1.404) 2.663 8.234 ( -2.507 -4.625 -0.837) 5.327 8.234 ( -2.507 4.625 -0.837) 5.327 8.593 ( 0.775 -4.749 0.916) 4.899 8.593 ( 0.775 4.749 0.916) 4.899 8.949 ( -0.883 -5.818 -0.778) 5.936 8.949 ( -0.883 5.818 -0.778) 5.936 9.902 ( -1.609 -10.234 0.651) 10.380 9.902 ( -1.609 10.234 0.651) 10.380 10.147 ( -0.020 -6.559 -0.093) 6.560 10.147 ( -0.020 6.559 -0.093) 6.560 10.415 ( -1.059 -0.570 -3.411) 3.616 10.415 ( -1.059 0.570 -3.411) 3.616 10.680 ( -0.770 -5.124 0.150) 5.184 10.680 ( -0.770 5.124 0.150) 5.184 10.806 ( 0.753 -6.940 2.107) 7.292 10.806 ( 0.753 6.940 2.107) 7.292 11.020 ( 0.152 -9.907 0.962) 9.955 11.020 ( 0.152 9.907 0.962) 9.955 12.701 ( 0.264 -1.973 0.088) 1.992 12.701 ( 0.264 1.973 0.088) 1.992 12.866 ( 0.975 -1.727 -0.298) 2.005 12.866 ( 0.975 1.727 -0.298) 2.005 14.006 ( -0.639 -0.841 -0.467) 1.155 14.006 ( -0.639 0.841 -0.467) 1.155 14.256 ( -0.070 -3.696 0.346) 3.713 14.256 ( -0.070 3.696 0.346) 3.713 14.782 ( 4.969 -1.569 -0.303) 5.219 14.782 ( 4.969 1.569 -0.303) 5.219 15.122 ( -6.620 -2.279 -0.279) 7.007 15.122 ( -6.620 2.279 -0.279) 7.007 15.622 ( -0.614 -1.549 0.395) 1.713 15.622 ( -0.614 1.549 0.395) 1.713 15.922 ( 1.045 -2.698 -0.007) 2.893 15.922 ( 1.045 2.698 -0.007) 2.893 15.958 ( 0.595 -2.538 0.311) 2.625 15.958 ( 0.595 2.538 0.311) 2.625 16.230 ( -0.087 -2.245 0.469) 2.296 16.230 ( -0.087 2.245 0.469) 2.296 16.807 ( -0.421 -1.634 -1.669) 2.373 16.807 ( -0.421 1.634 -1.669) 2.373 16.873 ( 0.698 -1.167 0.630) 1.498 16.873 ( 0.698 1.167 0.630) 1.498 17.815 ( 0.024 -1.818 0.331) 1.848 17.815 ( 0.024 1.818 0.331) 1.848 17.886 ( -2.330 -2.438 0.144) 3.375 17.886 ( -2.330 2.438 0.144) 3.375 21.668 ( -1.065 -2.831 0.302) 3.040 21.668 ( -1.065 2.831 0.302) 3.040 21.764 ( -0.830 -2.476 -0.135) 2.615 21.764 ( -0.830 2.476 -0.135) 2.615 27.136 ( -3.440 -0.220 -3.373) 4.823 27.136 ( -3.440 0.220 -3.373) 4.823 27.321 ( -3.105 -0.568 3.460) 4.683 27.321 ( -3.105 0.568 3.460) 4.683 28.865 ( 1.084 -0.311 -0.283) 1.163 28.865 ( 1.084 0.311 -0.283) 1.163 28.961 ( -1.830 -0.336 0.212) 1.873 28.961 ( -1.830 0.336 0.212) 1.873 29.954 ( -0.091 -1.876 -1.078) 2.166 29.954 ( -0.091 1.876 -1.078) 2.166 30.117 ( -3.557 -1.099 0.739) 3.796 30.117 ( -3.557 1.099 0.739) 3.796 30.887 ( 4.507 -3.200 -0.130) 5.529 30.887 ( 4.507 3.200 -0.130) 5.529 31.189 ( -1.429 -3.850 0.716) 4.168 31.189 ( -1.429 3.850 0.716) 4.168 31.648 ( 2.203 -2.872 -0.669) 3.681 31.648 ( 2.203 2.872 -0.669) 3.681 31.910 ( -3.151 -4.708 0.051) 5.665 31.910 ( -3.151 4.708 0.051) 5.665 32.944 ( 3.813 -13.800 -1.129) 14.361 32.944 ( 3.813 13.800 -1.129) 14.361 33.155 ( 2.564 -12.870 1.091) 13.168 33.155 ( 2.564 12.870 1.091) 13.168 33.861 ( 1.379 -7.758 0.812) 7.921 33.861 ( 1.379 7.758 0.812) 7.921 34.308 ( 3.046 -10.835 -0.600) 11.271 34.308 ( 3.046 10.835 -0.600) 11.271 ======================= Grid point 43 (24/88) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 0.000 -1.410 0.000) 1.410 2.275 ( -0.000 1.410 0.000) 1.410 2.338 ( -0.000 -6.361 0.000) 6.361 2.338 ( 0.000 6.361 0.000) 6.361 2.786 ( 0.000 -5.206 -0.000) 5.206 2.786 ( 0.000 5.206 0.000) 5.206 2.910 ( 0.000 -1.544 0.000) 1.544 2.910 ( -0.000 1.544 0.000) 1.544 3.062 ( 0.000 -5.023 0.000) 5.023 3.062 ( 0.000 5.023 -0.000) 5.023 3.149 ( -0.000 -0.601 0.000) 0.601 3.149 ( -0.000 0.601 -0.000) 0.601 3.235 ( 0.000 -0.119 0.000) 0.119 3.235 ( 0.000 0.119 0.000) 0.119 3.324 ( -0.000 -14.348 0.000) 14.348 3.324 ( -0.000 14.348 0.000) 14.348 3.509 ( -0.000 -1.131 -0.000) 1.131 3.509 ( 0.000 1.131 0.000) 1.131 3.824 ( 0.000 -2.608 0.000) 2.608 3.824 ( -0.000 2.608 -0.000) 2.608 4.049 ( 0.000 -3.506 0.000) 3.506 4.049 ( 0.000 3.506 -0.000) 3.506 4.163 ( 0.000 -16.219 0.000) 16.219 4.163 ( 0.000 16.219 0.000) 16.219 4.539 ( 0.000 -3.993 -0.000) 3.993 4.539 ( 0.000 3.993 0.000) 3.993 4.608 ( 0.000 -8.224 -0.000) 8.224 4.608 ( 0.000 8.224 0.000) 8.224 4.806 ( 0.000 -2.370 0.000) 2.370 4.806 ( 0.000 2.370 0.000) 2.370 4.941 ( 0.000 -2.962 0.000) 2.962 4.941 ( 0.000 2.962 0.000) 2.962 5.223 ( 0.000 -7.992 0.000) 7.992 5.223 ( 0.000 7.992 -0.000) 7.992 5.424 ( -0.000 -4.842 0.000) 4.842 5.424 ( 0.000 4.842 0.000) 4.842 5.526 ( -0.000 -4.815 0.000) 4.815 5.526 ( 0.000 4.815 -0.000) 4.815 5.766 ( -0.000 -4.540 0.000) 4.540 5.766 ( 0.000 4.540 0.000) 4.540 5.911 ( -0.000 -8.423 -0.000) 8.423 5.911 ( 0.000 8.423 0.000) 8.423 6.180 ( -0.000 -6.498 0.000) 6.498 6.180 ( 0.000 6.498 0.000) 6.498 6.599 ( 0.000 -0.014 0.000) 0.014 6.599 ( 0.000 0.014 -0.000) 0.014 6.889 ( 0.000 -3.996 0.000) 3.996 6.889 ( 0.000 3.996 -0.000) 3.996 7.441 ( 0.000 -2.238 -0.000) 2.238 7.441 ( 0.000 2.238 0.000) 2.238 7.718 ( 0.000 -8.020 0.000) 8.020 7.718 ( 0.000 8.020 0.000) 8.020 8.047 ( 0.000 -0.760 0.000) 0.760 8.047 ( 0.000 0.760 0.000) 0.760 8.205 ( 0.000 -4.380 -0.000) 4.380 8.205 ( 0.000 4.380 0.000) 4.380 8.607 ( 0.000 -4.111 0.000) 4.111 8.607 ( 0.000 4.111 0.000) 4.111 8.934 ( 0.000 -3.080 0.000) 3.080 8.934 ( 0.000 3.080 0.000) 3.080 9.889 ( 0.000 -9.777 0.000) 9.777 9.889 ( 0.000 9.777 0.000) 9.777 10.149 ( 0.000 -7.084 0.000) 7.084 10.149 ( 0.000 7.084 0.000) 7.084 10.389 ( 0.000 -0.521 0.000) 0.521 10.389 ( 0.000 0.522 -0.000) 0.522 10.671 ( 0.000 -5.113 0.000) 5.113 10.671 ( 0.000 5.113 0.000) 5.113 10.822 ( 0.000 -6.130 0.000) 6.130 10.822 ( 0.000 6.130 0.000) 6.130 11.026 ( 0.000 -9.788 0.000) 9.788 11.026 ( 0.000 9.788 0.000) 9.788 12.704 ( 0.000 -0.433 0.000) 0.433 12.704 ( 0.000 0.433 0.000) 0.433 12.874 ( 0.000 -0.756 0.000) 0.756 12.874 ( 0.000 0.756 0.000) 0.756 13.999 ( 0.000 -0.821 0.000) 0.821 13.999 ( 0.000 0.821 0.000) 0.821 14.257 ( 0.000 -4.021 0.000) 4.021 14.257 ( 0.000 4.021 0.000) 4.021 14.847 ( 0.000 -1.720 0.000) 1.720 14.847 ( 0.000 1.720 0.000) 1.720 15.038 ( 0.000 -1.909 0.000) 1.909 15.038 ( 0.000 1.909 0.000) 1.909 15.620 ( 0.000 -1.325 0.000) 1.325 15.620 ( 0.000 1.325 0.000) 1.325 15.932 ( 0.000 -3.837 0.000) 3.837 15.932 ( 0.000 3.837 0.000) 3.837 15.965 ( 0.000 -2.135 0.000) 2.135 15.965 ( 0.000 2.135 0.000) 2.135 16.231 ( 0.000 -1.302 0.000) 1.302 16.231 ( 0.000 1.302 0.000) 1.302 16.792 ( 0.000 -1.670 0.000) 1.670 16.792 ( 0.000 1.670 0.000) 1.670 16.885 ( 0.000 -1.128 0.000) 1.128 16.885 ( 0.000 1.128 0.000) 1.128 17.818 ( 0.000 -1.498 0.000) 1.498 17.818 ( 0.000 1.498 0.000) 1.498 17.864 ( 0.000 -2.214 0.000) 2.214 17.864 ( 0.000 2.214 0.000) 2.214 21.657 ( 0.000 -0.841 0.000) 0.841 21.657 ( 0.000 0.841 0.000) 0.841 21.758 ( 0.000 -0.687 0.000) 0.687 21.758 ( 0.000 0.687 0.000) 0.687 27.084 ( 0.000 -0.120 0.000) 0.120 27.084 ( 0.000 0.120 0.000) 0.120 27.312 ( 0.000 -0.664 0.000) 0.664 27.312 ( 0.000 0.664 0.000) 0.664 28.875 ( 0.000 -0.050 0.000) 0.050 28.875 ( 0.000 0.050 0.000) 0.050 28.944 ( -0.000 -0.234 0.000) 0.234 28.944 ( 0.000 0.234 0.000) 0.234 29.947 ( 0.000 -1.717 0.000) 1.717 29.947 ( 0.000 1.717 0.000) 1.717 30.087 ( 0.000 -0.071 -0.000) 0.071 30.087 ( 0.000 0.071 0.000) 0.071 30.935 ( 0.000 -1.120 0.000) 1.120 30.935 ( 0.000 1.120 -0.000) 1.120 31.173 ( -0.000 -0.410 -0.000) 0.410 31.173 ( 0.000 0.410 0.000) 0.410 31.676 ( 0.000 -2.854 0.000) 2.854 31.676 ( 0.000 2.854 0.000) 2.854 31.868 ( 0.000 -2.240 0.000) 2.240 31.868 ( 0.000 2.240 0.000) 2.240 32.977 ( 0.000 -14.069 0.000) 14.069 32.977 ( 0.000 14.069 -0.000) 14.069 33.183 ( 0.000 -12.264 0.000) 12.264 33.183 ( 0.000 12.264 0.000) 12.264 33.879 ( 0.000 -8.485 -0.000) 8.485 33.879 ( 0.000 8.485 0.000) 8.485 34.336 ( 0.000 -10.546 -0.000) 10.546 34.336 ( 0.000 10.546 0.000) 10.546 ======================= Grid point 77 (25/88) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( -7.498 0.000 28.693) 29.656 0.646 ( -6.212 0.000 32.622) 33.208 1.011 ( 5.876 0.000 49.006) 49.357 1.540 ( 4.957 0.000 -16.606) 17.330 1.841 ( 4.037 0.000 -26.730) 27.033 2.472 ( -0.370 0.000 -19.803) 19.806 2.587 ( 1.164 0.000 -0.423) 1.238 2.736 ( 5.290 0.000 -5.038) 7.305 2.863 ( -7.592 0.000 11.075) 13.427 2.863 ( -2.481 0.000 8.025) 8.400 3.089 ( -0.478 0.000 0.380) 0.611 3.174 ( -0.438 0.000 2.877) 2.910 3.218 ( 3.320 0.000 3.392) 4.746 3.228 ( 2.325 0.000 0.617) 2.405 3.275 ( 0.275 0.000 2.422) 2.437 3.391 ( 0.132 0.000 2.417) 2.421 3.468 ( 1.077 0.000 -2.619) 2.832 3.543 ( -7.721 0.000 -6.847) 10.319 3.750 ( 0.591 0.000 3.551) 3.600 3.902 ( -0.397 0.000 -2.260) 2.295 3.917 ( -1.175 0.000 0.564) 1.304 3.961 ( -4.496 0.000 4.217) 6.164 4.015 ( -0.530 0.000 -2.900) 2.948 4.205 ( 8.029 0.000 2.997) 8.570 4.228 ( -1.504 0.000 -5.540) 5.741 4.282 ( -2.326 0.000 7.105) 7.476 4.397 ( -0.297 0.000 1.598) 1.625 4.522 ( 6.050 0.000 -3.012) 6.758 4.590 ( -1.171 0.000 -6.215) 6.325 4.599 ( 1.080 0.000 -2.113) 2.373 4.821 ( 1.363 0.000 2.605) 2.939 4.887 ( -0.802 0.000 0.335) 0.869 5.012 ( 1.757 0.000 6.072) 6.321 5.035 ( 11.798 0.000 -3.137) 12.208 5.171 ( -2.267 0.000 -10.433) 10.676 5.179 ( 16.289 0.000 0.342) 16.293 5.433 ( -10.005 0.000 -1.013) 10.056 5.532 ( 0.387 0.000 -6.950) 6.960 6.015 ( -3.592 0.000 1.796) 4.016 6.048 ( -8.246 0.000 -0.121) 8.246 6.130 ( -0.530 0.000 5.943) 5.967 6.217 ( 2.572 0.000 8.879) 9.244 6.314 ( -2.090 0.000 -0.408) 2.129 6.337 ( -1.762 0.000 -0.902) 1.979 6.576 ( 0.879 0.000 0.294) 0.926 6.632 ( 5.885 0.000 -4.547) 7.437 6.749 ( 1.728 0.000 5.014) 5.303 7.089 ( -14.146 0.000 -3.677) 14.616 7.457 ( -10.108 0.000 1.766) 10.261 7.658 ( -1.685 0.000 6.166) 6.392 7.738 ( 10.289 0.000 -6.652) 12.252 7.838 ( -11.785 0.000 -1.735) 11.912 7.951 ( -3.926 0.000 4.225) 5.767 8.145 ( 1.390 0.000 -3.749) 3.998 8.384 ( -1.980 0.000 1.683) 2.599 8.445 ( 26.908 0.000 -0.534) 26.913 8.717 ( -0.251 0.000 0.171) 0.304 8.813 ( 0.435 0.000 -3.931) 3.955 9.034 ( 0.655 0.000 0.288) 0.716 9.089 ( 0.391 0.000 -1.291) 1.349 9.525 ( -1.506 0.000 3.961) 4.238 9.675 ( -0.519 0.000 -3.438) 3.477 9.951 ( 0.870 0.000 2.112) 2.284 10.156 ( 5.045 0.000 -6.425) 8.169 10.389 ( 2.664 0.000 7.372) 7.838 10.442 ( -7.613 0.000 7.041) 10.370 10.773 ( -1.008 0.000 -3.252) 3.404 10.795 ( 0.942 0.000 -3.330) 3.461 10.825 ( 2.197 0.000 0.265) 2.213 10.862 ( -2.301 0.000 -1.343) 2.665 11.251 ( -0.474 0.000 1.713) 1.777 11.334 ( 0.046 0.000 -1.653) 1.654 12.302 ( -1.339 0.000 1.355) 1.905 12.385 ( 3.346 0.000 -2.103) 3.952 12.861 ( 0.813 0.000 1.475) 1.684 12.908 ( -0.407 0.000 -0.529) 0.667 14.169 ( -0.372 0.000 0.800) 0.882 14.216 ( 0.769 0.000 -1.242) 1.460 14.290 ( -1.345 0.000 1.073) 1.720 14.324 ( 1.044 0.000 -0.458) 1.139 15.009 ( 0.721 0.000 2.286) 2.397 15.180 ( -1.043 0.000 -5.706) 5.801 15.219 ( -1.027 0.000 2.004) 2.252 15.314 ( 5.630 0.000 -1.127) 5.742 15.611 ( 0.293 0.000 2.510) 2.527 15.668 ( 1.659 0.000 3.371) 3.757 15.739 ( -1.352 0.000 -2.591) 2.922 15.771 ( -3.617 0.000 -1.450) 3.896 15.804 ( 1.023 0.000 0.981) 1.417 15.824 ( 1.725 0.000 0.209) 1.737 16.242 ( -39.368 0.000 1.345) 39.391 16.352 ( 6.831 0.000 -2.797) 7.381 16.707 ( 15.255 0.000 1.636) 15.343 16.806 ( -7.943 0.000 -2.478) 8.321 16.868 ( -0.365 0.000 1.038) 1.100 16.875 ( 3.880 0.000 0.701) 3.943 17.781 ( -1.899 0.000 2.267) 2.958 17.943 ( 1.929 0.000 -4.674) 5.056 18.190 ( -0.523 0.000 1.385) 1.480 18.193 ( -3.360 0.000 0.761) 3.445 21.440 ( -1.257 0.000 1.624) 2.054 21.522 ( 4.936 0.000 -1.642) 5.202 21.964 ( 1.212 0.000 0.688) 1.393 21.998 ( -1.141 0.000 -0.662) 1.319 27.276 ( 1.280 0.000 5.289) 5.442 27.502 ( -1.258 0.000 -2.438) 2.743 27.718 ( 1.452 0.000 -0.376) 1.500 27.746 ( -0.445 0.000 -2.922) 2.956 28.825 ( 0.162 0.000 1.127) 1.139 28.893 ( 0.234 0.000 -1.721) 1.737 29.035 ( -0.717 0.000 1.165) 1.368 29.108 ( -3.485 0.000 -2.000) 4.018 29.892 ( 0.914 0.000 4.611) 4.700 30.127 ( 5.330 0.000 -5.200) 7.446 30.407 ( -0.011 0.000 2.899) 2.899 30.407 ( 0.232 0.000 2.190) 2.202 30.549 ( 0.710 0.000 -0.574) 0.913 30.598 ( 0.741 0.000 -2.224) 2.344 31.293 ( 1.331 0.000 1.572) 2.060 31.398 ( -9.152 0.000 -3.556) 9.818 31.573 ( -21.807 0.000 4.552) 22.277 31.671 ( -0.092 0.000 1.640) 1.643 31.704 ( 4.703 0.000 -1.559) 4.954 31.782 ( 0.184 0.000 -2.869) 2.875 32.298 ( 43.914 0.000 2.890) 44.009 32.433 ( -7.522 0.000 -2.660) 7.978 33.288 ( 0.461 0.000 0.403) 0.612 33.308 ( -0.757 0.000 -0.393) 0.853 33.611 ( 1.772 0.000 0.656) 1.890 33.644 ( -1.594 0.000 -0.710) 1.745 33.813 ( 3.752 0.000 1.571) 4.068 33.881 ( -18.104 0.000 -1.228) 18.145 ======================= Grid point 78 (26/88) ======================= q-point: ( 0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 16.018 0.000 19.184) 24.992 1.098 ( 22.359 0.000 20.864) 30.581 1.577 ( 13.719 0.000 -8.097) 15.931 1.729 ( 28.280 0.000 26.064) 38.459 1.734 ( 2.904 0.000 -25.071) 25.239 2.474 ( 19.716 0.000 -19.711) 27.879 2.588 ( -1.256 0.000 0.855) 1.520 2.644 ( -0.460 0.000 -10.047) 10.057 2.926 ( 2.475 0.000 5.639) 6.158 2.966 ( 2.506 0.000 8.202) 8.577 3.085 ( -2.533 0.000 3.603) 4.404 3.216 ( -0.120 0.000 1.325) 1.331 3.234 ( 0.863 0.000 -3.147) 3.263 3.323 ( 1.782 0.000 8.797) 8.976 3.325 ( 2.899 0.000 0.062) 2.900 3.417 ( 3.029 0.000 -6.504) 7.175 3.456 ( 0.426 0.000 -2.797) 2.830 3.459 ( 5.836 0.000 6.158) 8.484 3.749 ( -1.596 0.000 -2.424) 2.902 3.852 ( -2.902 0.000 0.930) 3.048 3.889 ( -3.407 0.000 1.959) 3.930 3.938 ( -1.437 0.000 -2.056) 2.508 3.953 ( -3.031 0.000 10.675) 11.097 4.172 ( 2.525 0.000 -8.604) 8.966 4.258 ( -7.601 0.000 3.387) 8.322 4.332 ( 2.621 0.000 2.455) 3.591 4.342 ( -1.362 0.000 1.618) 2.115 4.511 ( -1.932 0.000 -6.032) 6.334 4.568 ( -2.194 0.000 -1.325) 2.563 4.579 ( 5.982 0.000 -4.420) 7.438 4.882 ( -6.477 0.000 -1.471) 6.642 4.907 ( 2.763 0.000 -1.056) 2.958 4.990 ( -2.709 0.000 0.915) 2.860 4.997 ( 6.584 0.000 -5.200) 8.390 5.256 ( 10.070 0.000 -0.581) 10.087 5.283 ( -2.040 0.000 -0.458) 2.091 5.532 ( 3.116 0.000 -2.484) 3.985 5.656 ( 21.024 0.000 -9.000) 22.869 5.934 ( -6.962 0.000 5.741) 9.024 5.935 ( -6.145 0.000 4.178) 7.431 6.174 ( -0.713 0.000 6.463) 6.502 6.223 ( -1.586 0.000 -4.603) 4.869 6.323 ( 1.565 0.000 7.733) 7.890 6.367 ( 1.281 0.000 1.156) 1.725 6.533 ( -3.020 0.000 -0.827) 3.131 6.641 ( -0.427 0.000 -4.264) 4.286 6.743 ( -15.128 0.000 0.381) 15.132 6.799 ( -3.813 0.000 7.709) 8.600 7.383 ( -2.125 0.000 1.934) 2.873 7.572 ( -11.352 0.000 -1.705) 11.479 7.780 ( 2.315 0.000 11.026) 11.267 7.850 ( 4.510 0.000 -8.938) 10.011 7.913 ( -1.630 0.000 3.428) 3.795 8.077 ( -4.241 0.000 -2.573) 4.960 8.400 ( 3.223 0.000 0.059) 3.223 8.641 ( 1.789 0.000 -6.045) 6.304 8.738 ( -0.162 0.000 -4.185) 4.188 8.770 ( -1.504 0.000 -3.610) 3.911 9.068 ( 1.905 0.000 -0.188) 1.915 9.088 ( 0.808 0.000 -0.887) 1.200 9.535 ( -0.545 0.000 3.828) 3.866 9.633 ( -1.203 0.000 -3.454) 3.658 9.991 ( 1.380 0.000 2.646) 2.984 10.179 ( 3.596 0.000 -8.771) 9.480 10.362 ( -6.289 0.000 6.210) 8.838 10.517 ( 3.578 0.000 8.051) 8.810 10.727 ( -0.835 0.000 -3.313) 3.417 10.770 ( -1.210 0.000 -1.095) 1.632 10.852 ( 2.199 0.000 -3.508) 4.140 10.891 ( 3.790 0.000 0.561) 3.831 11.263 ( 0.155 0.000 2.332) 2.337 11.324 ( 0.308 0.000 -1.350) 1.384 12.313 ( 1.703 0.000 0.832) 1.896 12.447 ( 4.848 0.000 -3.923) 6.236 12.885 ( -1.302 0.000 -0.952) 1.613 12.889 ( 0.655 0.000 1.170) 1.341 14.140 ( -3.008 0.000 0.852) 3.126 14.184 ( -2.450 0.000 -1.337) 2.791 14.278 ( -0.813 0.000 0.737) 1.097 14.349 ( 1.615 0.000 0.057) 1.616 14.985 ( -4.683 0.000 1.834) 5.029 14.995 ( -13.466 0.000 6.389) 14.905 15.197 ( -8.061 0.000 0.978) 8.120 15.223 ( -0.042 0.000 1.546) 1.547 15.612 ( -2.392 0.000 2.774) 3.663 15.680 ( 0.510 0.000 -0.349) 0.618 15.720 ( -0.210 0.000 -1.815) 1.827 15.780 ( 1.937 0.000 3.862) 4.321 15.822 ( 0.551 0.000 -0.119) 0.564 15.863 ( 2.451 0.000 -1.041) 2.663 15.947 ( -2.944 0.000 3.819) 4.822 16.433 ( -1.180 0.000 0.430) 1.255 16.690 ( 0.983 0.000 -1.075) 1.456 16.806 ( -1.467 0.000 -0.263) 1.490 16.932 ( 2.087 0.000 -0.976) 2.304 16.958 ( 6.134 0.000 0.453) 6.151 17.794 ( 1.492 0.000 1.374) 2.028 17.935 ( 0.544 0.000 -4.002) 4.039 18.164 ( -2.254 0.000 1.012) 2.471 18.172 ( -2.421 0.000 1.659) 2.935 21.430 ( -0.619 0.000 0.528) 0.814 21.525 ( -0.994 0.000 0.202) 1.015 21.945 ( -2.838 0.000 -1.951) 3.444 21.969 ( -1.566 0.000 1.196) 1.970 27.330 ( -0.879 0.000 6.924) 6.980 27.410 ( -5.012 0.000 -4.972) 7.060 27.549 ( -12.376 0.000 8.633) 15.090 27.635 ( -8.650 0.000 -4.571) 9.784 28.844 ( 0.711 0.000 1.411) 1.580 28.882 ( 0.143 0.000 -2.064) 2.069 29.007 ( -4.695 0.000 2.966) 5.553 29.017 ( -2.138 0.000 1.146) 2.426 29.928 ( -0.849 0.000 3.589) 3.688 29.996 ( -6.557 0.000 -1.690) 6.771 30.386 ( -2.785 0.000 0.509) 2.831 30.399 ( -1.886 0.000 3.102) 3.631 30.511 ( -2.916 0.000 0.493) 2.958 30.594 ( 1.310 0.000 -2.645) 2.952 31.363 ( 5.509 0.000 1.948) 5.843 31.381 ( 4.179 0.000 2.754) 5.005 31.464 ( -4.202 0.000 3.997) 5.799 31.658 ( -2.939 0.000 1.032) 3.115 31.748 ( -0.370 0.000 -3.043) 3.066 31.920 ( 16.611 0.000 3.010) 16.882 32.210 ( -8.118 0.000 -10.529) 13.295 32.532 ( -2.318 0.000 2.835) 3.661 33.317 ( 1.819 0.000 -0.316) 1.846 33.332 ( 3.574 0.000 1.154) 3.756 33.563 ( -4.742 0.000 -0.882) 4.823 33.749 ( 1.645 0.000 -0.946) 1.898 34.027 ( 12.902 0.000 7.902) 15.129 34.087 ( 28.811 0.000 -21.221) 35.782 ======================= Grid point 79 (27/88) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 18.975 0.000 6.939) 20.204 1.627 ( 19.299 0.000 12.034) 22.744 1.633 ( 8.469 0.000 -17.263) 19.229 1.798 ( 19.115 0.000 -11.620) 22.370 2.330 ( 8.778 0.000 4.703) 9.958 2.569 ( 1.756 0.000 2.230) 2.839 2.675 ( 14.648 0.000 10.849) 18.228 2.905 ( 29.165 0.000 -17.389) 33.955 2.985 ( -3.611 0.000 2.644) 4.475 2.996 ( 1.310 0.000 2.209) 2.568 3.077 ( -1.588 0.000 5.755) 5.970 3.154 ( -3.252 0.000 2.689) 4.220 3.235 ( -1.959 0.000 -2.059) 2.842 3.345 ( 2.552 0.000 -2.172) 3.351 3.407 ( 1.802 0.000 -6.425) 6.673 3.531 ( 10.210 0.000 6.136) 11.912 3.539 ( 8.153 0.000 -4.294) 9.214 3.643 ( 6.794 0.000 9.360) 11.565 3.663 ( -3.717 0.000 -9.257) 9.975 3.794 ( -5.298 0.000 -0.709) 5.345 3.820 ( -0.820 0.000 0.092) 0.825 3.942 ( 6.377 0.000 -1.536) 6.560 4.004 ( -3.800 0.000 13.437) 13.964 4.125 ( -5.330 0.000 1.234) 5.471 4.208 ( 5.116 0.000 -5.920) 7.824 4.348 ( 0.346 0.000 -11.276) 11.281 4.351 ( -0.765 0.000 0.850) 1.144 4.461 ( 3.104 0.000 3.726) 4.850 4.507 ( -4.295 0.000 3.588) 5.597 4.685 ( 6.639 0.000 -4.604) 8.079 4.762 ( -4.211 0.000 -0.200) 4.215 4.864 ( 1.332 0.000 -5.305) 5.470 5.043 ( 0.890 0.000 6.736) 6.794 5.098 ( 6.718 0.000 -4.971) 8.357 5.319 ( 6.596 0.000 -5.014) 8.285 5.377 ( 1.003 0.000 1.452) 1.765 5.586 ( 2.861 0.000 -2.399) 3.734 5.803 ( -5.591 0.000 -0.519) 5.615 5.841 ( -1.719 0.000 6.379) 6.606 5.902 ( 0.748 0.000 4.372) 4.436 6.133 ( -8.736 0.000 5.514) 10.331 6.229 ( 5.511 0.000 -6.507) 8.527 6.380 ( -0.662 0.000 -0.197) 0.691 6.410 ( 0.683 0.000 9.550) 9.574 6.514 ( 0.899 0.000 0.773) 1.186 6.553 ( -2.193 0.000 -4.793) 5.271 6.591 ( -0.728 0.000 -5.049) 5.101 6.715 ( -8.881 0.000 5.076) 10.229 7.336 ( -4.261 0.000 -0.056) 4.262 7.416 ( -3.587 0.000 -0.792) 3.674 7.798 ( -4.208 0.000 5.626) 7.025 7.801 ( -1.058 0.000 -7.724) 7.796 7.999 ( -3.865 0.000 -0.112) 3.867 8.021 ( 4.554 0.000 8.394) 9.550 8.466 ( 4.011 0.000 -2.742) 4.858 8.552 ( -6.160 0.000 -6.413) 8.893 8.672 ( -1.922 0.000 -0.668) 2.035 8.720 ( -1.505 0.000 -0.257) 1.527 9.074 ( -0.931 0.000 -1.649) 1.894 9.093 ( -0.781 0.000 1.095) 1.345 9.564 ( 0.281 0.000 4.193) 4.203 9.585 ( -0.944 0.000 -2.687) 2.848 10.035 ( 1.437 0.000 1.197) 1.870 10.172 ( 3.533 0.000 -9.672) 10.297 10.303 ( -4.571 0.000 5.425) 7.094 10.607 ( 0.744 0.000 3.472) 3.551 10.681 ( -1.963 0.000 -2.129) 2.896 10.738 ( -1.629 0.000 -0.326) 1.661 10.867 ( 2.122 0.000 -4.082) 4.601 10.968 ( 3.037 0.000 2.753) 4.099 11.292 ( 0.700 0.000 2.979) 3.060 11.328 ( 0.879 0.000 -0.594) 1.061 12.379 ( 4.383 0.000 0.968) 4.489 12.510 ( 4.799 0.000 -2.923) 5.620 12.852 ( -1.562 0.000 -0.335) 1.597 12.893 ( -0.744 0.000 -0.093) 0.750 14.089 ( -2.832 0.000 1.255) 3.097 14.126 ( -1.885 0.000 -2.153) 2.861 14.268 ( -1.114 0.000 1.309) 1.719 14.383 ( 1.900 0.000 0.192) 1.909 14.865 ( -6.956 0.000 7.758) 10.420 14.902 ( -3.527 0.000 -1.180) 3.719 15.082 ( -3.953 0.000 -2.444) 4.648 15.213 ( -2.745 0.000 1.435) 3.097 15.586 ( -1.872 0.000 2.000) 2.740 15.692 ( 1.366 0.000 -1.605) 2.108 15.725 ( 1.602 0.000 -1.063) 1.923 15.776 ( -3.777 0.000 3.274) 4.999 15.883 ( 3.395 0.000 3.191) 4.659 15.894 ( 1.966 0.000 -1.900) 2.734 15.968 ( 1.725 0.000 1.060) 2.025 16.335 ( -4.761 0.000 -2.991) 5.622 16.771 ( -1.088 0.000 -0.870) 1.393 16.791 ( 4.354 0.000 4.514) 6.272 16.941 ( 0.289 0.000 -1.857) 1.879 17.035 ( 1.593 0.000 1.385) 2.111 17.840 ( 2.156 0.000 0.847) 2.317 17.895 ( -1.455 0.000 -3.999) 4.255 18.112 ( -3.776 0.000 0.623) 3.827 18.136 ( -3.026 0.000 2.561) 3.964 21.432 ( 1.134 0.000 -0.755) 1.363 21.520 ( -0.110 0.000 1.238) 1.243 21.872 ( -2.774 0.000 -2.847) 3.975 21.930 ( -3.289 0.000 1.118) 3.474 27.259 ( -6.354 0.000 -5.021) 8.099 27.341 ( -3.190 0.000 5.655) 6.493 27.381 ( -10.994 0.000 -8.514) 13.905 27.449 ( -6.200 0.000 8.247) 10.317 28.868 ( 0.087 0.000 -1.799) 1.801 28.869 ( 0.782 0.000 1.265) 1.487 28.966 ( -2.478 0.000 2.666) 3.640 28.976 ( -2.457 0.000 -0.098) 2.459 29.906 ( -2.147 0.000 -1.624) 2.692 29.935 ( 0.626 0.000 0.564) 0.843 30.288 ( -5.801 0.000 -3.853) 6.964 30.384 ( -3.661 0.000 4.196) 5.569 30.511 ( 1.589 0.000 2.590) 3.039 30.638 ( 5.863 0.000 -1.999) 6.194 31.396 ( -6.547 0.000 3.613) 7.478 31.459 ( 1.954 0.000 0.518) 2.021 31.520 ( 7.912 0.000 3.396) 8.610 31.562 ( -5.874 0.000 -0.713) 5.917 31.741 ( 2.027 0.000 -2.268) 3.042 32.011 ( -3.222 0.000 -8.631) 9.212 32.306 ( 17.665 0.000 2.438) 17.832 32.501 ( -2.559 0.000 1.689) 3.066 33.355 ( 0.229 0.000 3.216) 3.224 33.435 ( 5.882 0.000 1.610) 6.099 33.500 ( 0.593 0.000 -2.316) 2.391 33.757 ( 0.087 0.000 -0.266) 0.280 34.338 ( 9.574 0.000 13.313) 16.398 34.339 ( 16.259 0.000 -18.728) 24.801 ======================= Grid point 80 (28/88) ======================= q-point: ( 0.30 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 20.022 0.000 -5.390) 20.735 1.860 ( 17.505 0.000 0.513) 17.513 1.984 ( 12.331 0.000 3.650) 12.860 2.117 ( 21.436 0.000 -7.038) 22.562 2.299 ( -2.646 0.000 -5.341) 5.960 2.679 ( 5.677 0.000 4.099) 7.002 2.915 ( -6.306 0.000 3.762) 7.343 2.986 ( -8.375 0.000 9.661) 12.786 3.001 ( 1.274 0.000 -0.780) 1.494 3.060 ( 9.411 0.000 -0.109) 9.412 3.126 ( -5.468 0.000 7.518) 9.296 3.168 ( -1.943 0.000 4.393) 4.803 3.209 ( 7.773 0.000 -7.661) 10.914 3.356 ( -1.535 0.000 -3.781) 4.080 3.393 ( -5.508 0.000 0.165) 5.511 3.573 ( 1.160 0.000 -6.550) 6.652 3.670 ( 4.384 0.000 -3.551) 5.641 3.672 ( 2.280 0.000 0.293) 2.299 3.763 ( -0.829 0.000 1.120) 1.393 3.771 ( 19.311 0.000 -13.654) 23.651 3.873 ( 4.048 0.000 2.660) 4.844 4.012 ( -3.037 0.000 8.464) 8.992 4.106 ( 2.603 0.000 1.350) 2.932 4.165 ( 9.034 0.000 7.451) 11.710 4.204 ( 0.279 0.000 -9.469) 9.473 4.274 ( 2.067 0.000 -5.050) 5.456 4.365 ( 1.908 0.000 5.237) 5.574 4.492 ( 1.235 0.000 5.089) 5.237 4.624 ( 5.333 0.000 3.568) 6.416 4.699 ( -0.523 0.000 -4.928) 4.955 4.722 ( 1.285 0.000 1.221) 1.772 4.952 ( 11.488 0.000 -6.226) 13.066 5.100 ( 1.143 0.000 3.294) 3.486 5.156 ( 3.386 0.000 -4.311) 5.482 5.349 ( -2.519 0.000 -0.508) 2.570 5.366 ( 0.234 0.000 -4.717) 4.722 5.557 ( -2.573 0.000 -2.999) 3.951 5.699 ( -3.373 0.000 7.791) 8.490 5.857 ( -1.782 0.000 2.534) 3.098 5.966 ( -5.295 0.000 4.733) 7.102 6.060 ( 4.022 0.000 3.404) 5.270 6.257 ( 2.699 0.000 -6.458) 7.000 6.339 ( -1.564 0.000 -3.397) 3.740 6.465 ( -4.377 0.000 11.239) 12.061 6.533 ( -1.507 0.000 3.096) 3.443 6.549 ( 1.519 0.000 -1.503) 2.137 6.582 ( 7.005 0.000 -10.420) 12.556 6.620 ( -1.722 0.000 0.539) 1.804 7.226 ( -7.228 0.000 1.520) 7.386 7.413 ( 2.593 0.000 0.330) 2.613 7.723 ( -2.362 0.000 -3.984) 4.631 7.771 ( -2.527 0.000 3.949) 4.689 7.911 ( -5.074 0.000 -0.210) 5.078 8.132 ( 1.089 0.000 4.730) 4.853 8.381 ( -6.920 0.000 -1.638) 7.111 8.485 ( 1.237 0.000 -4.904) 5.057 8.651 ( 0.088 0.000 -1.429) 1.431 8.734 ( 1.660 0.000 3.683) 4.040 9.005 ( -4.305 0.000 -3.242) 5.389 9.070 ( -3.235 0.000 2.783) 4.268 9.570 ( 0.686 0.000 -0.358) 0.774 9.601 ( -0.201 0.000 4.509) 4.514 10.056 ( 0.712 0.000 -1.155) 1.357 10.152 ( 2.045 0.000 -9.974) 10.182 10.288 ( -1.333 0.000 5.740) 5.893 10.611 ( -0.874 0.000 -0.207) 0.899 10.627 ( -2.500 0.000 -0.017) 2.500 10.702 ( -1.659 0.000 -0.651) 1.782 10.865 ( 0.968 0.000 -3.730) 3.854 11.037 ( 1.570 0.000 2.406) 2.873 11.329 ( 0.724 0.000 2.607) 2.706 11.344 ( 1.074 0.000 -0.279) 1.109 12.481 ( 5.327 0.000 1.098) 5.439 12.584 ( 5.012 0.000 -1.779) 5.318 12.822 ( -1.962 0.000 1.018) 2.210 12.861 ( -2.135 0.000 -1.104) 2.404 14.058 ( -1.724 0.000 1.717) 2.433 14.088 ( -0.041 0.000 -2.710) 2.710 14.258 ( -1.409 0.000 2.271) 2.673 14.422 ( 2.084 0.000 -0.030) 2.084 14.822 ( -3.620 0.000 5.659) 6.717 14.847 ( -0.345 0.000 -3.476) 3.493 15.011 ( -1.265 0.000 -3.078) 3.328 15.146 ( -5.081 0.000 1.473) 5.291 15.573 ( -1.182 0.000 1.740) 2.104 15.699 ( -1.214 0.000 0.895) 1.508 15.725 ( -1.709 0.000 -0.327) 1.740 15.756 ( 2.367 0.000 -1.236) 2.670 15.913 ( 1.652 0.000 -1.445) 2.194 15.967 ( 2.426 0.000 3.247) 4.054 16.008 ( 1.256 0.000 1.941) 2.312 16.251 ( -1.847 0.000 -2.862) 3.406 16.764 ( 1.136 0.000 -0.972) 1.495 16.865 ( 0.501 0.000 1.976) 2.039 16.927 ( -0.110 0.000 -0.746) 0.754 17.047 ( -1.021 0.000 0.757) 1.271 17.833 ( -1.621 0.000 -3.315) 3.690 17.881 ( 1.628 0.000 0.413) 1.680 18.040 ( -4.016 0.000 0.466) 4.043 18.097 ( -3.113 0.000 2.284) 3.861 21.468 ( 3.379 0.000 -1.005) 3.525 21.535 ( 0.428 0.000 1.493) 1.553 21.803 ( -1.969 0.000 -2.778) 3.405 21.867 ( -4.336 0.000 1.205) 4.500 27.110 ( -5.218 0.000 -3.719) 6.408 27.161 ( -5.854 0.000 -5.738) 8.197 27.308 ( -3.362 0.000 2.481) 4.179 27.407 ( -4.599 0.000 5.416) 7.105 28.861 ( 0.304 0.000 -1.098) 1.139 28.889 ( 0.502 0.000 0.602) 0.784 28.932 ( -1.653 0.000 -0.770) 1.823 28.945 ( -1.788 0.000 2.006) 2.687 29.880 ( 0.240 0.000 -0.880) 0.912 29.967 ( 2.588 0.000 -0.628) 2.663 30.148 ( -5.594 0.000 -2.868) 6.286 30.321 ( -5.549 0.000 2.825) 6.227 30.592 ( 4.846 0.000 2.232) 5.335 30.771 ( 8.890 0.000 -1.166) 8.966 31.272 ( -9.398 0.000 3.585) 10.059 31.373 ( -5.817 0.000 -5.159) 7.776 31.565 ( 1.932 0.000 4.846) 5.217 31.680 ( 6.043 0.000 1.612) 6.254 31.788 ( 3.537 0.000 1.213) 3.740 31.897 ( -3.255 0.000 -6.516) 7.284 32.460 ( -2.078 0.000 -0.685) 2.188 32.587 ( 11.411 0.000 -1.983) 11.582 33.367 ( -2.275 0.000 6.839) 7.208 33.556 ( 5.265 0.000 1.061) 5.371 33.561 ( 6.665 0.000 -2.560) 7.140 33.758 ( 0.491 0.000 -0.392) 0.628 34.462 ( 10.568 0.000 -12.709) 16.529 34.551 ( 2.690 0.000 11.305) 11.620 ======================= Grid point 81 (29/88) ======================= q-point: ( 0.40 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 20.405 0.000 1.659) 20.473 2.135 ( 1.563 0.000 0.076) 1.565 2.157 ( 13.321 0.000 -0.868) 13.349 2.279 ( 6.698 0.000 -1.311) 6.825 2.460 ( 18.576 0.000 -7.304) 19.961 2.763 ( -0.523 0.000 -2.138) 2.201 2.771 ( -9.604 0.000 3.693) 10.289 2.938 ( -5.503 0.000 10.138) 11.536 2.982 ( -2.496 0.000 -3.081) 3.965 3.022 ( -1.003 0.000 0.712) 1.229 3.117 ( -5.930 0.000 6.470) 8.776 3.168 ( -6.877 0.000 -1.941) 7.145 3.256 ( 4.899 0.000 -0.816) 4.966 3.299 ( 2.763 0.000 2.339) 3.620 3.390 ( -1.769 0.000 6.009) 6.264 3.510 ( 2.558 0.000 -11.877) 12.150 3.646 ( -4.694 0.000 1.333) 4.880 3.665 ( -0.156 0.000 -0.732) 0.749 3.705 ( -5.851 0.000 1.062) 5.946 3.927 ( 1.649 0.000 -3.074) 3.488 4.015 ( -1.907 0.000 6.316) 6.598 4.023 ( 9.002 0.000 -4.823) 10.213 4.161 ( 2.632 0.000 -5.882) 6.444 4.248 ( -0.673 0.000 2.858) 2.936 4.254 ( 4.924 0.000 -0.187) 4.928 4.346 ( 11.208 0.000 -0.488) 11.219 4.379 ( -5.640 0.000 3.640) 6.713 4.622 ( -2.601 0.000 -1.403) 2.955 4.624 ( -4.358 0.000 6.497) 7.823 4.720 ( 10.686 0.000 2.467) 10.967 4.844 ( 7.889 0.000 -3.560) 8.654 5.106 ( 4.853 0.000 -3.312) 5.875 5.163 ( 8.866 0.000 -5.808) 10.599 5.191 ( 5.401 0.000 -5.074) 7.411 5.309 ( -2.880 0.000 1.701) 3.345 5.333 ( 1.787 0.000 -0.752) 1.939 5.492 ( -1.087 0.000 -2.558) 2.779 5.792 ( 0.471 0.000 3.135) 3.170 5.795 ( -1.904 0.000 3.635) 4.104 5.878 ( -6.890 0.000 5.673) 8.925 6.175 ( 2.644 0.000 3.450) 4.346 6.227 ( 1.885 0.000 -9.923) 10.100 6.337 ( 3.356 0.000 0.484) 3.390 6.393 ( -10.810 0.000 9.321) 14.274 6.534 ( -1.718 0.000 -2.928) 3.395 6.536 ( 0.622 0.000 0.180) 0.647 6.633 ( 0.846 0.000 0.477) 0.971 6.648 ( 6.443 0.000 -8.069) 10.326 7.141 ( -3.835 0.000 6.607) 7.640 7.477 ( 2.634 0.000 -0.183) 2.640 7.657 ( -1.395 0.000 -3.116) 3.414 7.750 ( -1.954 0.000 0.321) 1.980 7.832 ( -2.799 0.000 1.754) 3.304 8.123 ( -1.941 0.000 -2.843) 3.442 8.305 ( -3.176 0.000 5.557) 6.400 8.465 ( 0.785 0.000 -3.333) 3.424 8.648 ( 1.207 0.000 -2.098) 2.420 8.809 ( 1.745 0.000 1.241) 2.141 8.886 ( -3.796 0.000 -1.961) 4.273 9.020 ( -4.192 0.000 2.771) 5.025 9.598 ( 1.186 0.000 2.456) 2.727 9.622 ( -1.231 0.000 4.446) 4.613 10.047 ( 0.252 0.000 -3.157) 3.167 10.099 ( 0.414 0.000 -8.982) 8.992 10.335 ( 1.157 0.000 5.978) 6.089 10.593 ( -0.086 0.000 -1.271) 1.274 10.600 ( -1.315 0.000 3.033) 3.306 10.673 ( -1.134 0.000 0.172) 1.147 10.852 ( 0.778 0.000 -3.436) 3.523 11.049 ( -0.636 0.000 -1.868) 1.973 11.352 ( -0.133 0.000 1.440) 1.446 11.359 ( 0.685 0.000 -0.366) 0.777 12.585 ( 4.757 0.000 0.778) 4.821 12.669 ( 5.031 0.000 -0.832) 5.100 12.787 ( -3.109 0.000 1.901) 3.644 12.802 ( -2.870 0.000 -1.317) 3.158 14.044 ( -1.297 0.000 1.581) 2.045 14.083 ( 1.625 0.000 -2.710) 3.160 14.252 ( -1.556 0.000 3.659) 3.976 14.451 ( 1.227 0.000 -1.145) 1.678 14.800 ( -2.974 0.000 3.876) 4.885 14.838 ( 2.548 0.000 -4.141) 4.862 14.990 ( 1.343 0.000 -2.513) 2.850 15.059 ( -5.311 0.000 1.719) 5.582 15.567 ( -0.749 0.000 1.440) 1.623 15.647 ( -3.885 0.000 2.107) 4.419 15.727 ( 1.286 0.000 -1.627) 2.074 15.785 ( 1.780 0.000 -1.868) 2.581 15.937 ( 1.520 0.000 -0.116) 1.524 16.008 ( 0.589 0.000 0.137) 0.604 16.049 ( 0.362 0.000 3.850) 3.867 16.214 ( -0.000 0.000 -2.455) 2.455 16.794 ( 2.372 0.000 -0.645) 2.458 16.857 ( -0.782 0.000 -0.889) 1.184 16.930 ( -0.007 0.000 0.887) 0.887 17.017 ( -2.131 0.000 -0.150) 2.137 17.797 ( -0.161 0.000 -1.100) 1.112 17.904 ( 0.596 0.000 -0.509) 0.784 17.979 ( -2.515 0.000 0.698) 2.610 18.056 ( -2.492 0.000 0.900) 2.649 21.537 ( 4.525 0.000 -0.998) 4.634 21.552 ( -0.098 0.000 1.610) 1.613 21.762 ( -0.224 0.000 -2.183) 2.195 21.788 ( -4.982 0.000 1.260) 5.139 27.038 ( -0.655 0.000 0.083) 0.660 27.062 ( -2.090 0.000 -0.996) 2.315 27.257 ( -2.558 0.000 -0.963) 2.733 27.349 ( -4.248 0.000 1.222) 4.420 28.863 ( 0.502 0.000 -0.500) 0.709 28.894 ( -0.151 0.000 -0.428) 0.454 28.906 ( -0.539 0.000 -0.301) 0.617 28.930 ( -1.193 0.000 1.422) 1.856 29.898 ( 1.504 0.000 0.931) 1.769 30.014 ( 3.260 0.000 -1.805) 3.727 30.052 ( -2.951 0.000 -0.415) 2.980 30.228 ( -5.885 0.000 1.167) 5.999 30.720 ( 6.693 0.000 2.074) 7.007 30.934 ( 9.480 0.000 -2.260) 9.746 31.110 ( -10.374 0.000 3.449) 10.933 31.223 ( -6.326 0.000 -4.368) 7.688 31.641 ( 0.826 0.000 5.258) 5.323 31.756 ( 3.200 0.000 -2.817) 4.263 31.803 ( -1.273 0.000 -3.077) 3.330 31.875 ( 1.490 0.000 5.299) 5.504 32.423 ( -0.745 0.000 -1.199) 1.412 32.705 ( 5.087 0.000 -7.119) 8.750 33.390 ( -1.602 0.000 8.348) 8.501 33.634 ( 2.403 0.000 0.326) 2.425 33.667 ( 5.539 0.000 -1.432) 5.721 33.767 ( 0.781 0.000 -1.471) 1.665 34.559 ( 7.954 0.000 -6.694) 10.396 34.620 ( -2.268 0.000 6.249) 6.648 ======================= Grid point 82 (30/88) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( 0.815 0.000 1.659) 1.849 2.259 ( -0.306 0.000 -1.925) 1.949 2.363 ( 2.570 0.000 2.251) 3.416 2.409 ( 5.683 0.000 1.712) 5.935 2.597 ( -5.508 0.000 -3.793) 6.688 2.663 ( 5.269 0.000 -7.420) 9.100 2.756 ( -1.293 0.000 4.626) 4.803 2.896 ( -3.378 0.000 -2.193) 4.028 2.897 ( -3.420 0.000 5.375) 6.371 3.021 ( -2.251 0.000 1.143) 2.524 3.052 ( -3.037 0.000 6.860) 7.502 3.076 ( -2.276 0.000 2.574) 3.436 3.345 ( 9.424 0.000 -7.416) 11.992 3.375 ( 1.900 0.000 3.155) 3.682 3.446 ( 2.799 0.000 5.752) 6.397 3.520 ( 6.509 0.000 -5.024) 8.223 3.536 ( -8.568 0.000 0.971) 8.623 3.613 ( -3.234 0.000 3.211) 4.558 3.688 ( 3.629 0.000 0.081) 3.630 3.849 ( -3.849 0.000 -7.588) 8.509 4.055 ( -1.220 0.000 0.519) 1.326 4.100 ( 0.576 0.000 0.784) 0.973 4.220 ( 6.023 0.000 -1.765) 6.276 4.230 ( -3.979 0.000 2.422) 4.658 4.270 ( -2.400 0.000 -3.064) 3.892 4.278 ( 0.950 0.000 -0.463) 1.057 4.501 ( 1.188 0.000 8.919) 8.998 4.586 ( -0.799 0.000 1.730) 1.905 4.616 ( -0.910 0.000 0.755) 1.183 4.794 ( -3.706 0.000 -2.237) 4.329 4.960 ( 4.829 0.000 2.215) 5.313 5.133 ( 0.693 0.000 -2.050) 2.164 5.237 ( 3.794 0.000 -9.511) 10.239 5.261 ( 5.011 0.000 -7.245) 8.809 5.291 ( -0.866 0.000 2.103) 2.275 5.364 ( 1.909 0.000 -3.390) 3.890 5.523 ( 6.320 0.000 -1.057) 6.408 5.611 ( -8.985 0.000 -5.652) 10.615 5.795 ( -7.838 0.000 9.148) 12.047 5.896 ( -1.318 0.000 6.084) 6.225 6.170 ( -10.278 0.000 10.187) 14.471 6.228 ( 2.768 0.000 -5.824) 6.448 6.262 ( -2.747 0.000 -3.661) 4.577 6.460 ( 7.202 0.000 2.851) 7.746 6.500 ( 2.871 0.000 0.376) 2.895 6.545 ( 0.567 0.000 -1.336) 1.451 6.631 ( -1.530 0.000 0.323) 1.564 6.686 ( 4.099 0.000 -7.098) 8.197 7.177 ( -0.358 0.000 9.921) 9.927 7.472 ( -1.643 0.000 -3.155) 3.557 7.619 ( -0.107 0.000 -1.840) 1.843 7.700 ( -1.801 0.000 -2.847) 3.369 7.871 ( 3.539 0.000 5.235) 6.319 8.050 ( -2.473 0.000 -4.817) 5.415 8.316 ( -0.500 0.000 5.505) 5.528 8.482 ( 3.381 0.000 -1.891) 3.874 8.669 ( 2.355 0.000 -1.115) 2.606 8.711 ( -5.283 0.000 -4.974) 7.256 8.945 ( 4.447 0.000 3.306) 5.542 8.962 ( -3.253 0.000 1.059) 3.421 9.623 ( -2.222 0.000 4.149) 4.707 9.646 ( 0.832 0.000 4.710) 4.783 10.023 ( 0.411 0.000 -4.328) 4.348 10.040 ( 0.568 0.000 -8.285) 8.305 10.406 ( 0.743 0.000 6.519) 6.561 10.593 ( 1.240 0.000 -1.823) 2.205 10.627 ( 0.700 0.000 4.939) 4.988 10.658 ( -1.046 0.000 0.788) 1.309 10.851 ( 1.843 0.000 -2.242) 2.902 10.989 ( -2.026 0.000 -6.089) 6.417 11.345 ( -1.355 0.000 0.553) 1.463 11.363 ( 0.047 0.000 -0.344) 0.347 12.663 ( 2.013 0.000 0.822) 2.174 12.726 ( -1.781 0.000 -1.433) 2.286 12.735 ( -3.001 0.000 1.581) 3.392 12.766 ( 3.250 0.000 0.047) 3.250 14.032 ( -1.077 0.000 1.019) 1.483 14.103 ( 2.506 0.000 -2.569) 3.589 14.258 ( -1.494 0.000 5.319) 5.524 14.444 ( -0.327 0.000 -2.733) 2.753 14.764 ( -3.261 0.000 1.847) 3.748 14.880 ( 4.727 0.000 -3.485) 5.873 14.979 ( -4.152 0.000 1.357) 4.368 15.019 ( 2.955 0.000 -0.820) 3.067 15.570 ( -0.156 0.000 1.725) 1.732 15.607 ( -1.583 0.000 1.426) 2.130 15.733 ( 0.329 0.000 -1.134) 1.180 15.791 ( 0.560 0.000 -2.272) 2.340 15.962 ( 0.663 0.000 0.956) 1.164 16.001 ( -0.981 0.000 -0.761) 1.242 16.071 ( -0.883 0.000 3.424) 3.536 16.210 ( 1.375 0.000 -2.238) 2.626 16.824 ( 0.841 0.000 -0.288) 0.889 16.836 ( -0.743 0.000 -1.188) 1.401 16.940 ( 0.428 0.000 1.170) 1.246 16.980 ( -0.979 0.000 -0.830) 1.283 17.811 ( 1.587 0.000 0.950) 1.850 17.884 ( -1.220 0.000 -2.223) 2.536 17.976 ( 0.917 0.000 1.801) 2.021 18.022 ( -1.158 0.000 -0.388) 1.222 21.548 ( -1.544 0.000 1.095) 1.892 21.603 ( 2.295 0.000 -1.108) 2.548 21.715 ( -2.655 0.000 1.062) 2.860 21.767 ( 2.169 0.000 -1.058) 2.413 27.054 ( 1.288 0.000 2.394) 2.719 27.092 ( 3.657 0.000 4.003) 5.422 27.201 ( -1.378 0.000 -3.685) 3.934 27.269 ( -3.399 0.000 -2.928) 4.486 28.869 ( 0.485 0.000 -0.163) 0.512 28.879 ( -0.643 0.000 -0.895) 1.102 28.909 ( 0.599 0.000 0.596) 0.845 28.920 ( -0.730 0.000 0.507) 0.889 29.928 ( -0.348 0.000 2.200) 2.227 30.052 ( 2.767 0.000 2.174) 3.519 30.059 ( 3.421 0.000 -3.329) 4.773 30.123 ( -5.294 0.000 -0.394) 5.309 30.845 ( 1.189 0.000 2.738) 2.985 30.972 ( -3.561 0.000 3.074) 4.704 31.023 ( -3.592 0.000 -5.015) 6.168 31.127 ( 5.697 0.000 -2.739) 6.321 31.635 ( -3.430 0.000 2.707) 4.370 31.777 ( 1.685 0.000 -3.221) 3.635 31.855 ( 5.257 0.000 3.679) 6.417 31.889 ( -3.455 0.000 2.866) 4.489 32.425 ( 1.013 0.000 0.899) 1.354 32.680 ( -0.185 0.000 -10.340) 10.342 33.426 ( -2.008 0.000 8.995) 9.217 33.659 ( -0.021 0.000 0.519) 0.519 33.730 ( 1.752 0.000 -0.548) 1.835 33.747 ( -0.901 0.000 -3.677) 3.786 34.572 ( -5.829 0.000 1.665) 6.062 34.659 ( 6.125 0.000 -1.749) 6.370 ======================= Grid point 83 (31/88) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( -14.479 0.000 2.056) 14.625 2.141 ( -5.212 0.000 -0.137) 5.214 2.254 ( -10.810 0.000 1.186) 10.875 2.412 ( -19.909 0.000 -9.131) 21.903 2.490 ( -2.161 0.000 -9.746) 9.982 2.535 ( 4.603 0.000 7.278) 8.612 2.753 ( -1.540 0.000 5.587) 5.796 2.886 ( 0.491 0.000 -1.880) 1.943 2.892 ( -2.752 0.000 4.535) 5.305 3.041 ( 2.676 0.000 0.271) 2.690 3.074 ( 1.075 0.000 4.793) 4.912 3.165 ( 8.078 0.000 0.462) 8.091 3.346 ( -9.916 0.000 1.113) 9.979 3.446 ( 1.723 0.000 5.662) 5.918 3.511 ( 9.523 0.000 -6.637) 11.608 3.514 ( 3.824 0.000 -2.121) 4.373 3.632 ( 2.871 0.000 0.617) 2.936 3.690 ( 7.162 0.000 8.538) 11.144 3.714 ( -2.484 0.000 -8.835) 9.177 3.801 ( 7.714 0.000 0.094) 7.714 3.884 ( -13.745 0.000 -4.149) 14.358 4.067 ( -4.406 0.000 2.061) 4.865 4.178 ( -1.725 0.000 0.619) 1.833 4.229 ( -2.953 0.000 -3.524) 4.598 4.268 ( 1.522 0.000 1.561) 2.180 4.370 ( 4.884 0.000 1.298) 5.053 4.534 ( -13.525 0.000 -6.497) 15.004 4.572 ( 0.140 0.000 5.219) 5.221 4.585 ( -3.846 0.000 5.319) 6.563 4.660 ( 2.437 0.000 1.905) 3.093 4.973 ( -8.960 0.000 1.659) 9.112 5.063 ( -5.997 0.000 -6.141) 8.583 5.167 ( -1.412 0.000 -6.022) 6.186 5.216 ( -1.781 0.000 -5.510) 5.791 5.342 ( 3.806 0.000 3.067) 4.888 5.392 ( 3.712 0.000 -2.833) 4.669 5.457 ( -1.665 0.000 -6.764) 6.966 5.621 ( 1.005 0.000 6.275) 6.355 5.782 ( 0.655 0.000 6.500) 6.533 5.881 ( -3.694 0.000 5.557) 6.673 6.029 ( -7.100 0.000 0.910) 7.158 6.206 ( -0.029 0.000 -3.484) 3.484 6.208 ( -2.128 0.000 -1.787) 2.779 6.520 ( -0.355 0.000 4.276) 4.291 6.526 ( -1.693 0.000 -1.196) 2.073 6.594 ( -1.223 0.000 -1.133) 1.667 6.610 ( -0.269 0.000 -0.136) 0.302 6.788 ( 13.247 0.000 -5.031) 14.170 7.240 ( -1.735 0.000 9.601) 9.756 7.394 ( -2.206 0.000 -4.502) 5.013 7.656 ( 4.016 0.000 1.687) 4.356 7.665 ( 0.806 0.000 -2.200) 2.343 7.961 ( -2.534 0.000 -5.066) 5.664 7.994 ( 4.401 0.000 4.955) 6.627 8.371 ( 2.931 0.000 2.818) 4.066 8.550 ( 4.324 0.000 -5.146) 6.721 8.593 ( -2.877 0.000 -0.412) 2.906 8.711 ( 1.258 0.000 1.754) 2.158 8.931 ( 0.618 0.000 -1.383) 1.515 9.050 ( 4.045 0.000 2.246) 4.626 9.603 ( -2.946 0.000 3.457) 4.542 9.698 ( 0.361 0.000 5.732) 5.743 9.998 ( 1.510 0.000 -7.230) 7.386 9.999 ( 0.539 0.000 -4.198) 4.232 10.454 ( -0.747 0.000 5.777) 5.825 10.581 ( -0.615 0.000 -6.224) 6.254 10.654 ( -0.125 0.000 2.992) 2.995 10.686 ( 1.700 0.000 3.267) 3.683 10.894 ( 2.974 0.000 1.295) 3.244 10.903 ( -0.845 0.000 -7.379) 7.427 11.317 ( -2.047 0.000 0.900) 2.236 11.358 ( -0.499 0.000 0.110) 0.511 12.615 ( -5.975 0.000 1.545) 6.171 12.663 ( -2.880 0.000 -1.556) 3.274 12.762 ( 3.003 0.000 0.632) 3.068 12.835 ( 3.035 0.000 -0.073) 3.036 14.023 ( -0.353 0.000 0.544) 0.649 14.132 ( 2.603 0.000 -2.647) 3.712 14.278 ( -1.359 0.000 6.739) 6.875 14.406 ( -0.981 0.000 -3.183) 3.331 14.709 ( -3.392 0.000 0.393) 3.415 14.899 ( -1.703 0.000 -0.648) 1.822 14.980 ( 4.998 0.000 -1.934) 5.359 15.081 ( 3.387 0.000 1.046) 3.545 15.586 ( -0.118 0.000 2.566) 2.568 15.613 ( 1.296 0.000 0.670) 1.459 15.718 ( -0.986 0.000 -1.026) 1.423 15.774 ( -0.317 0.000 -2.082) 2.106 15.959 ( -2.686 0.000 -1.027) 2.876 15.977 ( -0.062 0.000 1.504) 1.506 16.079 ( -0.917 0.000 3.635) 3.748 16.226 ( 2.249 0.000 -2.754) 3.555 16.803 ( -1.756 0.000 -1.686) 2.434 16.821 ( -0.870 0.000 0.702) 1.118 16.968 ( 1.164 0.000 1.791) 2.136 16.969 ( 0.508 0.000 -1.631) 1.708 17.841 ( -1.076 0.000 -2.886) 3.080 17.864 ( 2.609 0.000 1.570) 3.045 18.010 ( 0.593 0.000 -0.961) 1.129 18.026 ( 2.642 0.000 2.283) 3.491 21.514 ( -2.430 0.000 -0.106) 2.433 21.575 ( -3.653 0.000 0.776) 3.735 21.737 ( 3.668 0.000 -1.126) 3.837 21.821 ( 3.588 0.000 0.148) 3.591 27.135 ( 4.465 0.000 3.914) 5.937 27.155 ( 0.043 0.000 -4.649) 4.649 27.183 ( -1.951 0.000 -5.829) 6.147 27.232 ( 6.807 0.000 5.904) 9.011 28.860 ( -0.632 0.000 -0.824) 1.039 28.880 ( 0.620 0.000 0.219) 0.658 28.909 ( -0.559 0.000 -0.189) 0.590 28.933 ( 1.210 0.000 0.982) 1.559 29.925 ( -1.244 0.000 1.958) 2.320 30.005 ( -4.352 0.000 -2.861) 5.208 30.116 ( 3.937 0.000 -3.056) 4.984 30.169 ( 6.289 0.000 3.856) 7.377 30.752 ( -8.968 0.000 4.135) 9.875 30.863 ( -7.089 0.000 -4.312) 8.297 31.074 ( 7.166 0.000 2.067) 7.458 31.265 ( 9.168 0.000 -3.254) 9.729 31.596 ( -3.232 0.000 3.829) 5.010 31.767 ( -1.879 0.000 -0.929) 2.096 31.816 ( -3.458 0.000 -0.958) 3.588 31.999 ( 5.995 0.000 3.869) 7.135 32.455 ( 0.202 0.000 2.351) 2.359 32.551 ( -4.415 0.000 -10.764) 11.634 33.446 ( -3.280 0.000 8.656) 9.256 33.627 ( -4.520 0.000 0.608) 4.561 33.695 ( 0.080 0.000 -5.257) 5.257 33.728 ( -1.845 0.000 0.978) 2.088 34.433 ( -8.790 0.000 -1.556) 8.927 34.757 ( 4.510 0.000 1.099) 4.642 ======================= Grid point 84 (32/88) ======================= q-point: (-0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( -24.930 0.000 5.164) 25.459 1.789 ( -28.283 0.000 -10.136) 30.045 2.056 ( -9.212 0.000 -6.366) 11.198 2.131 ( -2.464 0.000 5.170) 5.727 2.366 ( -1.567 0.000 -11.903) 12.005 2.643 ( -4.735 0.000 8.624) 9.838 2.799 ( 1.477 0.000 5.290) 5.492 2.869 ( -1.721 0.000 2.048) 2.676 2.902 ( 0.956 0.000 2.756) 2.917 2.982 ( -13.084 0.000 1.604) 13.182 3.131 ( -1.928 0.000 6.372) 6.657 3.232 ( 0.466 0.000 0.467) 0.659 3.281 ( 3.922 0.000 -1.735) 4.288 3.488 ( -1.320 0.000 3.217) 3.478 3.514 ( -5.706 0.000 -8.294) 10.067 3.550 ( -6.908 0.000 -10.563) 12.621 3.563 ( 1.698 0.000 -0.732) 1.849 3.604 ( -4.880 0.000 -0.395) 4.896 3.730 ( 3.341 0.000 -3.763) 5.032 3.825 ( 0.987 0.000 2.972) 3.132 3.940 ( 3.888 0.000 -4.446) 5.906 3.985 ( -4.173 0.000 7.499) 8.582 4.125 ( 0.891 0.000 -8.753) 8.799 4.151 ( -4.641 0.000 3.022) 5.539 4.274 ( -8.388 0.000 10.218) 13.220 4.277 ( -3.350 0.000 -4.991) 6.011 4.418 ( -3.029 0.000 4.160) 5.147 4.548 ( -8.456 0.000 -0.126) 8.457 4.598 ( 1.802 0.000 2.798) 3.328 4.734 ( -5.799 0.000 1.240) 5.930 4.749 ( 3.299 0.000 -2.014) 3.865 4.887 ( -5.431 0.000 -5.344) 7.620 5.104 ( -3.086 0.000 -0.997) 3.243 5.169 ( 0.028 0.000 -4.510) 4.510 5.371 ( -0.330 0.000 -2.523) 2.544 5.417 ( 0.694 0.000 -3.039) 3.117 5.485 ( 5.854 0.000 -2.341) 6.305 5.737 ( 3.941 0.000 12.383) 12.995 5.820 ( -2.658 0.000 1.962) 3.304 5.874 ( -0.947 0.000 6.545) 6.614 5.942 ( -0.595 0.000 -1.456) 1.573 6.148 ( -2.762 0.000 -1.538) 3.161 6.196 ( 1.989 0.000 -3.596) 4.110 6.477 ( -2.014 0.000 -1.125) 2.307 6.512 ( -3.848 0.000 3.804) 5.411 6.573 ( -1.605 0.000 -0.832) 1.808 6.589 ( 2.203 0.000 -1.872) 2.891 6.970 ( 7.806 0.000 -1.163) 7.892 7.247 ( -2.941 0.000 4.389) 5.283 7.358 ( 1.711 0.000 -2.801) 3.282 7.681 ( 0.779 0.000 -2.918) 3.020 7.782 ( 7.184 0.000 2.608) 7.643 7.918 ( 1.182 0.000 1.122) 1.630 8.096 ( 2.751 0.000 3.568) 4.505 8.458 ( 5.305 0.000 -2.090) 5.702 8.481 ( -2.875 0.000 -3.508) 4.535 8.667 ( 5.649 0.000 -0.968) 5.731 8.729 ( -0.850 0.000 2.842) 2.967 8.974 ( 4.768 0.000 -1.632) 5.040 9.118 ( 1.491 0.000 1.133) 1.873 9.570 ( -2.954 0.000 2.505) 3.873 9.739 ( -0.306 0.000 4.062) 4.074 9.975 ( -0.252 0.000 -2.881) 2.892 9.991 ( 3.029 0.000 -5.032) 5.873 10.472 ( -1.487 0.000 5.072) 5.285 10.479 ( -3.649 0.000 -7.345) 8.202 10.692 ( 1.301 0.000 2.692) 2.990 10.734 ( 1.900 0.000 0.498) 1.964 10.855 ( 1.345 0.000 -6.894) 7.024 10.965 ( 1.768 0.000 3.910) 4.291 11.288 ( -2.057 0.000 1.831) 2.754 11.348 ( -0.760 0.000 0.483) 0.900 12.508 ( -6.364 0.000 1.755) 6.601 12.598 ( -2.402 0.000 -2.518) 3.480 12.822 ( 2.763 0.000 0.668) 2.842 12.870 ( 0.920 0.000 -0.690) 1.150 14.033 ( 1.211 0.000 0.457) 1.294 14.156 ( 2.178 0.000 -3.000) 3.707 14.307 ( -1.443 0.000 6.957) 7.105 14.365 ( -0.841 0.000 -2.701) 2.829 14.652 ( -2.940 0.000 1.274) 3.204 14.873 ( -0.252 0.000 -0.108) 0.274 15.066 ( 5.683 0.000 -2.901) 6.380 15.158 ( 3.338 0.000 2.118) 3.953 15.597 ( -1.101 0.000 2.850) 3.056 15.658 ( 3.033 0.000 -0.498) 3.073 15.684 ( -1.795 0.000 -0.439) 1.847 15.760 ( 0.199 0.000 -0.670) 0.699 15.894 ( -3.170 0.000 -0.755) 3.258 15.978 ( -1.221 0.000 1.323) 1.800 16.098 ( -0.389 0.000 4.777) 4.793 16.249 ( 3.199 0.000 -4.686) 5.674 16.750 ( -2.207 0.000 -1.160) 2.493 16.819 ( -0.289 0.000 1.881) 1.903 16.964 ( 0.309 0.000 -1.745) 1.773 17.002 ( 0.588 0.000 2.082) 2.164 17.801 ( -0.918 0.000 -2.577) 2.736 17.915 ( 1.957 0.000 -0.273) 1.976 18.038 ( 2.792 0.000 0.115) 2.795 18.106 ( 3.679 0.000 2.553) 4.478 21.461 ( -2.486 0.000 -1.317) 2.814 21.516 ( -3.352 0.000 1.647) 3.735 21.800 ( 4.141 0.000 -1.995) 4.596 21.893 ( 3.626 0.000 0.525) 3.663 27.108 ( -0.714 0.000 -5.761) 5.805 27.140 ( 1.694 0.000 -4.144) 4.477 27.267 ( 6.078 0.000 3.443) 6.985 27.422 ( 8.535 0.000 4.826) 9.805 28.843 ( -0.681 0.000 -0.460) 0.822 28.893 ( 0.560 0.000 0.153) 0.580 28.901 ( -0.075 0.000 -0.017) 0.077 28.967 ( 1.513 0.000 1.066) 1.851 29.912 ( -3.026 0.000 -2.614) 3.999 29.915 ( -1.172 0.000 1.159) 1.649 30.171 ( 4.602 0.000 -3.315) 5.672 30.322 ( 6.697 0.000 3.059) 7.362 30.622 ( -8.195 0.000 4.445) 9.323 30.715 ( -5.136 0.000 -3.224) 6.064 31.213 ( 5.654 0.000 1.794) 5.931 31.391 ( 5.700 0.000 -2.897) 6.394 31.581 ( -1.144 0.000 4.281) 4.432 31.674 ( -6.308 0.000 0.923) 6.376 31.791 ( 0.578 0.000 -0.964) 1.124 32.092 ( 1.450 0.000 -3.965) 4.222 32.391 ( -4.298 0.000 -2.868) 5.167 32.450 ( -2.547 0.000 1.196) 2.814 33.437 ( -3.993 0.000 7.015) 8.072 33.515 ( -6.695 0.000 -0.231) 6.699 33.669 ( 1.113 0.000 -5.361) 5.475 33.689 ( -3.630 0.000 3.118) 4.785 34.230 ( -10.513 0.000 -2.938) 10.915 34.843 ( 3.527 0.000 1.402) 3.796 ======================= Grid point 85 (33/88) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -31.363 0.000 -8.687) 32.544 1.278 ( -30.546 0.000 8.321) 31.659 1.834 ( -9.555 0.000 -7.066) 11.884 2.178 ( -46.022 0.000 8.527) 46.806 2.231 ( 1.345 0.000 0.968) 1.657 2.252 ( 4.901 0.000 -8.447) 9.765 2.790 ( -5.642 0.000 -6.413) 8.542 2.851 ( -2.192 0.000 4.613) 5.107 2.869 ( -3.615 0.000 10.366) 10.978 2.950 ( 2.039 0.000 0.739) 2.169 3.140 ( -3.366 0.000 4.075) 5.286 3.240 ( 1.041 0.000 -1.363) 1.715 3.275 ( -2.384 0.000 -3.254) 4.034 3.391 ( 0.307 0.000 -3.644) 3.657 3.405 ( -3.808 0.000 -5.352) 6.569 3.437 ( -4.578 0.000 -4.241) 6.240 3.516 ( -6.907 0.000 1.064) 6.988 3.523 ( -5.354 0.000 3.511) 6.403 3.772 ( -9.245 0.000 3.505) 9.887 3.775 ( 5.423 0.000 1.154) 5.544 3.836 ( -0.894 0.000 0.322) 0.950 4.055 ( -13.636 0.000 3.240) 14.016 4.064 ( -4.199 0.000 0.656) 4.250 4.135 ( 3.783 0.000 -8.968) 9.733 4.136 ( 4.468 0.000 3.839) 5.891 4.299 ( 7.654 0.000 -6.125) 9.803 4.346 ( -5.979 0.000 6.010) 8.477 4.385 ( -5.022 0.000 0.285) 5.030 4.656 ( 0.465 0.000 -1.012) 1.114 4.681 ( -4.017 0.000 -4.837) 6.287 4.788 ( 5.812 0.000 -0.123) 5.813 4.827 ( -0.604 0.000 -3.435) 3.488 5.036 ( -3.974 0.000 0.457) 4.000 5.137 ( -3.064 0.000 -0.766) 3.159 5.372 ( 0.510 0.000 -1.330) 1.424 5.385 ( 0.157 0.000 -4.924) 4.926 5.508 ( -1.274 0.000 0.169) 1.285 5.725 ( -7.202 0.000 2.566) 7.645 5.918 ( 4.495 0.000 10.019) 10.981 5.976 ( 2.751 0.000 2.002) 3.403 5.977 ( 7.712 0.000 1.873) 7.936 6.099 ( -0.743 0.000 -0.267) 0.790 6.228 ( 3.374 0.000 -0.660) 3.438 6.445 ( 0.439 0.000 -2.200) 2.243 6.448 ( -5.053 0.000 2.891) 5.822 6.558 ( 0.677 0.000 -1.710) 1.840 6.646 ( 4.865 0.000 -2.111) 5.303 7.067 ( -0.306 0.000 8.542) 8.548 7.245 ( 3.851 0.000 -2.834) 4.782 7.414 ( 6.066 0.000 -1.652) 6.287 7.619 ( -3.270 0.000 -3.804) 5.016 7.946 ( 7.988 0.000 0.896) 8.039 8.006 ( 2.174 0.000 7.829) 8.125 8.146 ( -0.135 0.000 2.152) 2.156 8.412 ( -2.741 0.000 -0.537) 2.793 8.501 ( 3.452 0.000 -10.218) 10.785 8.748 ( 1.515 0.000 0.373) 1.560 8.754 ( 4.972 0.000 -2.826) 5.719 9.053 ( 3.854 0.000 -0.808) 3.938 9.117 ( -2.057 0.000 0.143) 2.062 9.539 ( -2.122 0.000 2.345) 3.163 9.743 ( -1.015 0.000 0.128) 1.023 9.947 ( -0.913 0.000 -1.199) 1.506 10.036 ( 4.755 0.000 -3.029) 5.638 10.367 ( -3.057 0.000 -3.607) 4.728 10.484 ( -1.688 0.000 6.138) 6.366 10.735 ( 1.275 0.000 1.813) 2.217 10.767 ( 1.761 0.000 -0.879) 1.968 10.836 ( 1.899 0.000 -6.277) 6.558 10.995 ( -1.964 0.000 3.291) 3.833 11.267 ( -1.794 0.000 2.082) 2.749 11.341 ( -0.107 0.000 0.138) 0.175 12.411 ( -5.441 0.000 2.017) 5.803 12.530 ( -1.984 0.000 -5.065) 5.440 12.865 ( -0.543 0.000 -0.735) 0.913 12.873 ( 2.061 0.000 0.586) 2.142 14.077 ( 2.867 0.000 0.626) 2.935 14.167 ( 1.618 0.000 -3.082) 3.481 14.323 ( -1.869 0.000 4.806) 5.157 14.335 ( -0.429 0.000 -1.946) 1.993 14.644 ( -0.592 0.000 8.001) 8.022 14.892 ( 2.165 0.000 0.250) 2.179 15.144 ( 4.613 0.000 -2.034) 5.041 15.230 ( 2.526 0.000 1.743) 3.069 15.590 ( -1.453 0.000 2.151) 2.596 15.650 ( -1.298 0.000 -0.190) 1.312 15.712 ( 3.001 0.000 -0.866) 3.124 15.771 ( 0.642 0.000 1.061) 1.240 15.836 ( -2.620 0.000 -0.025) 2.620 15.944 ( -3.305 0.000 0.521) 3.346 16.147 ( 1.149 0.000 7.176) 7.267 16.268 ( 3.768 0.000 -7.634) 8.513 16.728 ( 0.465 0.000 1.241) 1.325 16.839 ( 0.527 0.000 2.293) 2.353 16.954 ( -0.210 0.000 -1.483) 1.498 17.009 ( -1.811 0.000 1.676) 2.467 17.772 ( -0.609 0.000 -0.626) 0.873 17.935 ( 1.649 0.000 -2.799) 3.249 18.105 ( 3.283 0.000 1.271) 3.521 18.197 ( 3.836 0.000 2.176) 4.410 21.404 ( -2.148 0.000 -1.670) 2.721 21.477 ( -2.418 0.000 1.993) 3.134 21.861 ( 3.963 0.000 -1.837) 4.368 21.956 ( 2.645 0.000 0.041) 2.646 27.078 ( 1.044 0.000 -0.582) 1.195 27.159 ( 2.556 0.000 -1.354) 2.893 27.400 ( 5.542 0.000 1.763) 5.816 27.605 ( 7.870 0.000 1.268) 7.972 28.828 ( -0.662 0.000 0.065) 0.665 28.901 ( 0.331 0.000 -0.388) 0.510 28.911 ( 0.727 0.000 1.729) 1.876 29.003 ( 1.342 0.000 0.931) 1.634 29.857 ( -1.227 0.000 -1.106) 1.652 29.896 ( -1.444 0.000 0.180) 1.455 30.241 ( 5.102 0.000 -1.760) 5.397 30.452 ( 5.087 0.000 0.897) 5.165 30.515 ( -6.599 0.000 4.094) 7.766 30.628 ( -1.879 0.000 -2.396) 3.045 31.315 ( 3.722 0.000 3.299) 4.973 31.407 ( -2.130 0.000 -0.381) 2.164 31.575 ( -4.867 0.000 1.615) 5.128 31.621 ( 1.806 0.000 1.810) 2.557 31.808 ( 0.763 0.000 1.372) 1.570 31.946 ( -7.640 0.000 -10.989) 13.384 32.366 ( -6.142 0.000 -2.864) 6.777 32.410 ( 2.532 0.000 6.123) 6.626 33.394 ( -5.680 0.000 0.113) 5.681 33.405 ( -3.860 0.000 3.695) 5.343 33.650 ( -3.374 0.000 4.462) 5.595 33.652 ( 1.816 0.000 -5.804) 6.081 34.016 ( -9.473 0.000 -2.444) 9.783 34.899 ( 2.586 0.000 -4.293) 5.012 ======================= Grid point 86 (34/88) ======================= q-point: (-0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( -19.889 0.000 19.288) 27.705 0.789 ( -29.930 0.000 17.286) 34.563 1.283 ( -51.942 0.000 22.344) 56.544 1.657 ( -4.959 0.000 -12.567) 13.510 2.049 ( -3.567 0.000 -22.510) 22.791 2.472 ( 9.866 0.000 4.169) 10.711 2.625 ( -4.351 0.000 -6.183) 7.561 2.741 ( -7.638 0.000 -3.132) 8.256 2.872 ( -4.372 0.000 9.036) 10.038 2.963 ( -1.874 0.000 -0.286) 1.896 3.123 ( 0.161 0.000 3.601) 3.604 3.165 ( -6.490 0.000 -0.056) 6.491 3.252 ( -8.548 0.000 -4.114) 9.486 3.253 ( 0.064 0.000 0.548) 0.552 3.296 ( -3.587 0.000 -2.506) 4.376 3.336 ( -1.909 0.000 1.510) 2.433 3.445 ( 0.378 0.000 1.228) 1.285 3.655 ( 10.102 0.000 20.396) 22.761 3.711 ( -1.399 0.000 5.800) 5.967 3.761 ( -10.119 0.000 -3.520) 10.714 3.909 ( 1.164 0.000 -0.225) 1.186 3.914 ( 3.752 0.000 2.714) 4.631 4.014 ( 1.136 0.000 0.882) 1.439 4.097 ( 0.058 0.000 -8.855) 8.855 4.262 ( 0.472 0.000 6.787) 6.804 4.304 ( -3.250 0.000 -2.008) 3.820 4.326 ( 1.601 0.000 3.622) 3.960 4.415 ( 8.868 0.000 -7.483) 11.603 4.603 ( -0.706 0.000 -2.881) 2.966 4.632 ( 0.237 0.000 -4.607) 4.613 4.788 ( -0.364 0.000 -0.559) 0.667 4.897 ( 5.688 0.000 0.959) 5.768 4.948 ( -5.608 0.000 -0.520) 5.632 5.004 ( -9.239 0.000 0.272) 9.243 5.264 ( -9.437 0.000 -0.460) 9.448 5.323 ( -4.151 0.000 -5.186) 6.643 5.531 ( 1.524 0.000 -1.401) 2.070 5.615 ( -3.886 0.000 -4.090) 5.642 6.016 ( 2.710 0.000 0.110) 2.712 6.068 ( 3.909 0.000 2.248) 4.509 6.119 ( 6.022 0.000 -5.460) 8.129 6.131 ( -3.277 0.000 15.600) 15.941 6.308 ( 1.653 0.000 2.846) 3.291 6.395 ( -1.875 0.000 3.426) 3.905 6.487 ( 6.123 0.000 -1.915) 6.416 6.550 ( 2.356 0.000 -5.498) 5.982 6.707 ( 2.306 0.000 -0.698) 2.409 7.132 ( -0.721 0.000 12.700) 12.721 7.402 ( 14.576 0.000 2.451) 14.781 7.551 ( -0.053 0.000 -0.605) 0.607 7.557 ( 10.926 0.000 -3.407) 11.445 8.034 ( -3.484 0.000 0.037) 3.484 8.070 ( -2.785 0.000 9.193) 9.605 8.119 ( 1.255 0.000 -3.571) 3.785 8.377 ( -7.529 0.000 -19.873) 21.252 8.390 ( -0.767 0.000 3.137) 3.229 8.750 ( -0.995 0.000 -2.838) 3.008 8.806 ( 3.253 0.000 -3.665) 4.901 9.061 ( -3.051 0.000 -0.213) 3.058 9.087 ( 0.768 0.000 -1.102) 1.343 9.527 ( -1.695 0.000 3.419) 3.817 9.712 ( -0.953 0.000 -2.594) 2.764 9.932 ( -0.075 0.000 0.362) 0.369 10.104 ( 5.130 0.000 -4.517) 6.835 10.327 ( -0.497 0.000 2.614) 2.661 10.498 ( -3.335 0.000 7.458) 8.170 10.769 ( 1.787 0.000 -0.004) 1.787 10.786 ( 1.237 0.000 -1.707) 2.108 10.824 ( 1.070 0.000 -4.297) 4.429 10.946 ( -4.608 0.000 1.047) 4.726 11.253 ( -1.213 0.000 1.785) 2.159 11.342 ( 0.380 0.000 -1.087) 1.152 12.339 ( -3.784 0.000 1.894) 4.232 12.432 ( -3.361 0.000 -6.878) 7.655 12.851 ( -0.414 0.000 0.178) 0.451 12.905 ( 0.915 0.000 0.165) 0.929 14.139 ( 2.627 0.000 0.770) 2.738 14.183 ( 2.396 0.000 -1.235) 2.695 14.311 ( -2.048 0.000 2.240) 3.035 14.320 ( 0.112 0.000 -1.187) 1.193 14.839 ( 13.547 0.000 19.330) 23.604 14.951 ( 3.295 0.000 0.910) 3.418 15.203 ( 1.938 0.000 0.669) 2.051 15.266 ( 0.310 0.000 -0.147) 0.343 15.587 ( -0.088 0.000 1.654) 1.656 15.637 ( -0.221 0.000 0.927) 0.953 15.752 ( 2.191 0.000 -1.892) 2.895 15.793 ( 0.617 0.000 1.451) 1.576 15.799 ( -1.634 0.000 1.076) 1.957 15.866 ( -4.663 0.000 -0.605) 4.702 16.283 ( 4.798 0.000 -7.572) 8.964 16.294 ( 8.887 0.000 11.208) 14.304 16.787 ( 3.825 0.000 2.023) 4.327 16.855 ( -1.516 0.000 -1.763) 2.325 16.896 ( -4.944 0.000 -5.690) 7.538 16.948 ( -5.580 0.000 0.241) 5.585 17.777 ( 0.173 0.000 2.923) 2.929 17.941 ( 2.011 0.000 -4.379) 4.819 18.166 ( 1.837 0.000 1.472) 2.353 18.263 ( 1.509 0.000 -2.111) 2.594 21.383 ( 1.469 0.000 3.549) 3.841 21.454 ( -1.718 0.000 1.981) 2.622 21.920 ( 3.250 0.000 -0.711) 3.327 21.991 ( 1.315 0.000 -0.271) 1.343 27.209 ( 2.950 0.000 2.507) 3.871 27.251 ( 14.916 0.000 20.000) 24.949 27.491 ( 3.064 0.000 0.072) 3.065 27.722 ( 4.795 0.000 -2.323) 5.328 28.821 ( -0.391 0.000 0.589) 0.707 28.900 ( 0.205 0.000 -1.078) 1.097 28.984 ( 5.368 0.000 6.703) 8.587 29.028 ( 0.557 0.000 0.829) 0.999 29.851 ( 0.395 0.000 1.641) 1.688 29.888 ( 1.471 0.000 4.261) 4.508 30.337 ( 5.024 0.000 0.900) 5.104 30.432 ( -4.609 0.000 2.610) 5.297 30.528 ( 2.509 0.000 -0.675) 2.598 30.600 ( 0.531 0.000 -2.207) 2.270 31.334 ( -4.842 0.000 0.424) 4.860 31.439 ( 4.530 0.000 4.525) 6.403 31.551 ( 3.617 0.000 9.074) 9.768 31.652 ( 0.434 0.000 1.166) 1.244 31.746 ( -4.740 0.000 -6.308) 7.891 31.829 ( 0.001 0.000 2.465) 2.465 32.137 ( -14.928 0.000 -11.864) 19.068 32.492 ( 0.304 0.000 3.914) 3.926 33.313 ( -3.027 0.000 0.203) 3.034 33.350 ( -3.438 0.000 0.661) 3.501 33.638 ( -0.641 0.000 2.492) 2.573 33.648 ( 1.784 0.000 -4.840) 5.158 33.855 ( -5.889 0.000 -1.018) 5.977 34.727 ( -16.392 0.000 -31.101) 35.156 ======================= Grid point 87 (35/88) ======================= q-point: ( 0.00 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 7.139 21.305 13.767) 26.351 0.949 ( 3.809 21.189 24.251) 32.428 1.488 ( -1.811 17.906 7.632) 19.549 1.511 ( -4.431 21.407 6.209) 22.725 1.953 ( -0.756 7.866 -23.581) 24.870 2.466 ( -2.798 -7.306 3.788) 8.692 2.645 ( 3.752 1.687 -3.939) 5.696 2.693 ( -1.897 2.353 0.357) 3.044 2.706 ( 4.260 -4.379 -2.702) 6.680 2.938 ( 0.200 -0.324 3.430) 3.451 3.069 ( 4.924 -5.431 0.799) 7.374 3.111 ( -0.117 -3.874 -0.748) 3.947 3.253 ( -4.650 0.565 3.430) 5.806 3.276 ( 1.820 -2.217 -0.366) 2.892 3.304 ( -0.894 0.205 -0.117) 0.924 3.327 ( 2.090 3.557 -0.194) 4.130 3.440 ( 0.337 1.203 -0.354) 1.298 3.528 ( -5.900 -4.979 -3.301) 8.396 3.681 ( -2.696 -7.155 5.210) 9.252 3.752 ( 1.505 -2.115 2.295) 3.465 3.859 ( -1.982 -5.418 -0.589) 5.799 3.887 ( -0.973 -4.235 -3.482) 5.569 4.037 ( 5.831 -5.316 2.660) 8.327 4.113 ( 1.089 4.669 2.697) 5.501 4.247 ( -0.116 -3.894 -0.748) 3.967 4.279 ( -1.476 -0.063 -4.034) 4.296 4.377 ( -0.527 -1.665 -1.100) 2.064 4.543 ( 0.632 0.998 -3.493) 3.687 4.640 ( 0.192 3.917 0.973) 4.040 4.690 ( -0.447 2.141 -2.066) 3.009 4.879 ( 2.909 2.330 1.757) 4.120 4.946 ( 1.731 4.760 0.052) 5.065 4.969 ( 3.235 4.370 3.962) 6.728 5.056 ( 3.709 2.258 6.785) 8.056 5.142 ( -0.861 -3.372 -1.558) 3.813 5.168 ( -0.188 0.513 -5.056) 5.085 5.326 ( -3.623 -1.886 6.065) 7.312 5.503 ( -0.031 -2.084 -4.682) 5.125 5.838 ( -2.136 -7.855 4.297) 9.205 6.011 ( -2.610 -11.637 8.321) 14.542 6.085 ( -3.598 -7.347 2.104) 8.447 6.265 ( 3.632 -2.068 -5.111) 6.603 6.305 ( -1.550 0.969 1.889) 2.629 6.361 ( 2.630 -3.786 0.581) 4.647 6.506 ( -0.478 -0.677 -4.247) 4.327 6.597 ( 6.350 7.324 -8.823) 13.108 6.812 ( 0.306 2.907 5.049) 5.834 7.159 ( -9.286 1.505 -2.852) 9.830 7.311 ( 1.489 1.287 9.956) 10.149 7.467 ( -1.909 -3.002 4.229) 5.526 7.651 ( 1.821 -1.042 -0.803) 2.247 7.766 ( -1.556 -0.181 -3.893) 4.196 8.234 ( 3.529 -0.419 0.874) 3.659 8.293 ( -2.073 -1.776 -0.899) 2.874 8.370 ( -4.357 14.602 4.122) 15.786 8.615 ( 5.279 -5.143 -3.316) 8.082 8.676 ( 1.037 -1.895 -3.326) 3.966 8.781 ( -0.691 -0.381 -4.201) 4.274 8.984 ( 1.420 -6.233 -0.978) 6.467 9.042 ( -0.845 -2.509 -1.014) 2.835 9.599 ( -1.094 7.042 3.187) 7.807 9.787 ( 0.320 10.109 -5.124) 11.338 9.964 ( 3.103 0.309 3.585) 4.751 10.180 ( 3.182 2.727 -6.545) 7.772 10.378 ( 3.173 -1.357 7.044) 7.844 10.460 ( -6.158 2.069 6.848) 9.439 10.684 ( -1.774 -6.100 -0.542) 6.376 10.754 ( 1.045 -2.435 -1.756) 3.179 10.856 ( -0.526 -0.674 -0.267) 0.896 10.899 ( -0.347 2.270 -4.046) 4.652 11.199 ( -1.037 -5.183 1.998) 5.650 11.280 ( -0.034 -4.894 -1.718) 5.187 12.381 ( -0.620 6.888 0.514) 6.935 12.443 ( 2.012 5.249 -1.645) 5.858 12.845 ( 0.511 -1.485 1.577) 2.225 12.900 ( -0.347 -1.005 -0.705) 1.276 14.127 ( 0.360 -3.998 1.829) 4.412 14.210 ( 0.044 -0.074 -1.944) 1.946 14.273 ( -1.789 0.261 0.908) 2.023 14.344 ( 1.954 0.010 -4.645) 5.039 14.719 ( 0.328 -10.871 9.111) 14.188 15.038 ( -1.999 -11.183 -7.429) 13.574 15.304 ( -1.011 4.914 2.991) 5.841 15.470 ( 2.834 0.271 -4.337) 5.188 15.655 ( 0.482 6.132 -1.761) 6.398 15.710 ( 0.735 -0.423 -1.590) 1.802 15.780 ( 3.328 5.273 -0.873) 6.297 15.804 ( -1.702 3.591 -0.441) 3.998 15.851 ( 0.727 2.616 0.494) 2.760 15.904 ( 0.482 5.465 -2.287) 5.944 16.230 ( -11.243 -1.966 -0.601) 11.429 16.302 ( -3.954 -4.164 -1.924) 6.056 16.691 ( 8.045 -0.448 3.088) 8.629 16.800 ( -5.972 -1.124 -2.189) 6.459 16.843 ( 0.931 -1.563 0.793) 1.985 16.916 ( 2.424 1.826 -2.733) 4.084 17.789 ( -1.855 1.043 2.467) 3.258 17.971 ( 2.080 1.637 -6.037) 6.592 18.158 ( -1.989 -2.929 1.662) 3.911 18.179 ( -1.120 -1.447 0.899) 2.039 21.498 ( -0.965 6.101 2.435) 6.640 21.568 ( 2.308 3.676 0.487) 4.368 21.970 ( 0.621 -0.241 1.370) 1.523 22.011 ( -0.914 0.996 -0.651) 1.500 27.263 ( 1.052 -2.470 6.302) 6.850 27.279 ( 0.766 -3.462 7.954) 8.708 27.795 ( -0.749 4.799 -3.120) 5.773 28.044 ( -0.580 9.050 -17.267) 19.504 28.813 ( 0.235 -0.898 0.791) 1.220 28.848 ( 0.164 -2.857 -0.251) 2.872 29.045 ( -0.874 2.472 2.488) 3.615 29.180 ( -1.002 2.617 -5.860) 6.495 29.909 ( 0.965 1.598 4.107) 4.511 30.061 ( 2.663 -3.257 0.923) 4.307 30.427 ( -0.177 1.861 2.489) 3.113 30.446 ( -0.279 3.419 2.525) 4.259 30.553 ( 0.697 0.473 -0.011) 0.842 30.637 ( -0.354 2.069 -0.918) 2.290 31.237 ( -0.205 -3.887 1.137) 4.055 31.344 ( -2.464 -4.971 -3.568) 6.596 31.594 ( -5.871 1.335 1.080) 6.117 31.672 ( -0.885 -0.240 0.969) 1.334 31.720 ( -1.123 0.838 -3.162) 3.459 31.792 ( -3.470 0.227 -4.072) 5.355 32.315 ( 27.879 1.208 2.095) 27.984 32.441 ( -1.973 0.450 -2.136) 2.942 32.845 ( -10.077 -15.860 15.351) 24.264 33.089 ( 0.098 -12.361 -1.410) 12.442 33.717 ( -2.669 9.003 4.446) 10.390 33.829 ( 1.219 1.878 2.082) 3.058 33.880 ( 1.887 4.546 -1.635) 5.186 34.150 ( -3.576 10.176 -15.743) 19.083 ======================= Grid point 88 (36/88) ======================= q-point: ( 0.10 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 17.658 17.428 11.172) 27.210 1.276 ( 12.236 14.812 17.132) 25.741 1.524 ( 13.990 -0.755 -13.493) 19.452 1.738 ( 1.739 6.293 -11.229) 12.989 1.956 ( 21.318 18.482 15.739) 32.307 2.487 ( 3.101 -2.845 4.639) 6.263 2.599 ( -3.107 -0.443 -4.160) 5.211 2.748 ( 13.186 8.254 -18.227) 23.963 2.833 ( 6.462 -4.976 8.549) 11.816 3.007 ( 2.830 0.672 3.875) 4.846 3.126 ( 1.611 -3.926 -1.008) 4.362 3.189 ( 4.920 -0.304 -2.665) 5.604 3.206 ( -0.143 -1.756 1.138) 2.098 3.304 ( 2.284 -3.059 -1.150) 3.987 3.315 ( 1.732 -0.515 -1.907) 2.627 3.370 ( 1.491 4.603 3.818) 6.163 3.410 ( -1.565 -2.779 5.856) 6.668 3.481 ( 1.675 -1.187 -3.361) 3.939 3.677 ( 0.510 -4.119 5.001) 6.499 3.725 ( -3.227 -1.604 -2.322) 4.287 3.800 ( -2.582 -7.699 -2.656) 8.543 3.905 ( 2.073 -3.121 2.696) 4.616 4.126 ( -2.441 5.777 1.568) 6.465 4.146 ( 2.877 -6.441 -3.002) 7.667 4.192 ( 1.372 -2.079 -3.124) 3.996 4.255 ( -0.946 -2.869 1.320) 3.297 4.345 ( -1.899 1.377 -0.201) 2.354 4.557 ( 1.593 1.224 -3.752) 4.256 4.602 ( -0.513 4.510 -2.238) 5.061 4.629 ( -2.455 0.336 0.351) 2.502 4.884 ( -0.864 2.358 -1.585) 2.969 4.963 ( -4.913 1.774 -2.055) 5.613 5.025 ( 0.763 5.234 2.811) 5.990 5.043 ( 6.010 4.978 -1.071) 7.877 5.214 ( 5.499 -0.120 2.300) 5.962 5.344 ( 4.124 1.596 -1.013) 4.536 5.453 ( 10.290 -6.609 -0.192) 12.231 5.539 ( 10.984 -4.429 -0.590) 11.858 5.818 ( -3.070 -6.676 3.410) 8.101 5.946 ( -7.195 -9.840 0.939) 12.226 6.008 ( -7.328 -6.347 6.033) 11.419 6.236 ( -3.996 -6.208 1.981) 7.644 6.323 ( 1.628 -3.461 -0.033) 3.825 6.382 ( -1.359 -1.608 0.280) 2.124 6.469 ( 0.884 -0.723 -3.484) 3.666 6.659 ( 6.590 8.504 -8.561) 13.749 6.818 ( -4.871 3.225 4.460) 7.350 6.919 ( -12.160 8.824 1.665) 15.116 7.368 ( -0.976 -0.233 1.545) 1.842 7.407 ( -6.305 -3.810 2.138) 7.671 7.658 ( 0.198 -1.929 2.398) 3.084 7.807 ( 5.333 -0.682 -0.859) 5.445 8.148 ( -7.033 0.769 -0.595) 7.100 8.304 ( -2.717 17.613 -1.782) 17.910 8.385 ( 4.428 -4.425 2.366) 6.692 8.610 ( -1.928 -8.563 -0.754) 8.810 8.649 ( -0.974 -0.186 -5.149) 5.243 8.748 ( -1.935 -1.601 0.687) 2.604 9.001 ( -0.097 -7.499 -0.134) 7.501 9.068 ( 4.516 -1.301 -2.499) 5.322 9.596 ( -2.043 5.857 3.306) 7.029 9.745 ( -0.327 10.311 -4.829) 11.390 10.044 ( 1.821 3.391 2.146) 4.407 10.185 ( 3.704 1.388 -7.966) 8.894 10.384 ( -6.288 1.639 5.087) 8.252 10.512 ( 3.883 -0.803 7.496) 8.480 10.661 ( -0.267 -5.059 -0.655) 5.109 10.756 ( 0.062 -1.381 -1.213) 1.839 10.839 ( -0.203 -0.969 -0.643) 1.181 10.885 ( 1.345 -0.617 -2.711) 3.088 11.204 ( -0.309 -5.792 2.684) 6.391 11.270 ( 0.466 -5.050 -1.380) 5.256 12.392 ( 1.576 6.803 0.033) 6.984 12.495 ( 4.357 4.495 -2.133) 6.613 12.859 ( -0.813 -1.897 0.517) 2.127 12.889 ( 0.256 -0.661 -0.140) 0.722 14.128 ( -1.850 -2.496 1.975) 3.682 14.173 ( -2.010 -1.071 -2.316) 3.248 14.240 ( -1.899 -0.271 0.489) 1.979 14.346 ( 1.200 -0.623 -2.163) 2.551 14.770 ( -2.384 -9.626 9.191) 13.521 14.911 ( -4.154 -8.966 -7.178) 12.214 15.280 ( -3.252 3.393 1.790) 5.029 15.403 ( -7.319 10.430 -1.790) 12.867 15.566 ( -3.048 -1.432 1.236) 3.587 15.711 ( -4.136 2.050 -0.014) 4.616 15.765 ( 2.934 3.563 -1.194) 4.768 15.831 ( -0.440 2.964 2.109) 3.665 15.871 ( 0.920 1.935 0.596) 2.224 15.910 ( 2.901 5.057 -3.978) 7.058 16.020 ( -4.431 6.254 3.928) 8.613 16.368 ( 1.386 -5.759 1.628) 6.143 16.691 ( -0.928 0.559 -2.214) 2.465 16.783 ( -0.361 -1.699 0.654) 1.856 16.889 ( 2.778 -2.498 1.585) 4.058 16.968 ( 3.895 -0.617 -2.517) 4.678 17.785 ( -0.087 -0.127 2.312) 2.317 17.952 ( 0.350 1.196 -4.653) 4.817 18.132 ( -2.756 -2.980 1.622) 4.372 18.154 ( -2.305 -1.683 1.396) 3.177 21.490 ( -1.150 5.519 1.337) 5.794 21.585 ( -0.194 4.872 0.307) 4.885 21.955 ( -3.155 0.754 -1.245) 3.474 21.967 ( -2.419 -0.412 1.285) 2.770 27.306 ( -1.993 -3.365 4.263) 5.786 27.313 ( -1.403 -1.465 4.849) 5.256 27.687 ( -8.581 5.333 -1.700) 10.245 27.757 ( -13.944 9.493 -7.038) 18.278 28.828 ( 0.522 -1.242 0.777) 1.555 28.851 ( 0.555 -2.009 -0.608) 2.171 29.029 ( -2.612 2.512 2.122) 4.200 29.078 ( -4.319 3.566 -0.950) 5.681 29.943 ( -0.870 1.383 3.084) 3.490 30.000 ( -4.725 0.330 -0.795) 4.803 30.401 ( -3.581 1.296 2.140) 4.369 30.432 ( -2.705 2.653 0.198) 3.794 30.528 ( -2.568 1.765 1.864) 3.631 30.620 ( 1.000 2.143 -1.796) 2.970 31.292 ( 3.865 -4.478 2.124) 6.284 31.336 ( 2.715 -5.130 -1.663) 6.038 31.514 ( -2.389 3.500 4.099) 5.896 31.669 ( -1.886 0.982 -0.400) 2.164 31.731 ( 0.140 -1.494 -2.589) 2.992 31.894 ( 14.529 -2.332 2.858) 14.989 32.257 ( -5.373 4.414 -8.193) 10.746 32.567 ( 0.247 3.090 1.815) 3.593 33.123 ( 7.158 -15.128 -0.436) 16.742 33.131 ( 14.517 -13.373 1.475) 19.792 33.674 ( -4.178 8.059 2.233) 9.348 33.821 ( -1.963 5.079 0.439) 5.463 33.952 ( 7.950 -1.443 2.726) 8.527 34.215 ( 14.595 3.679 -12.172) 19.357 ======================= Grid point 89 (37/88) ======================= q-point: ( 0.20 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 11.688 8.193 1.137) 14.319 1.634 ( 14.875 4.165 -1.658) 15.536 1.741 ( 16.024 7.159 -0.599) 17.561 1.775 ( 16.124 3.384 -4.586) 17.102 2.426 ( 7.630 7.040 1.026) 10.432 2.548 ( 3.232 -2.907 -1.042) 4.470 2.668 ( 11.680 1.328 9.822) 15.318 2.860 ( 6.415 -3.400 -4.123) 8.349 2.982 ( 1.530 -5.647 1.367) 6.008 3.090 ( 2.359 6.171 0.996) 6.681 3.162 ( 2.613 3.504 0.858) 4.455 3.194 ( 3.896 6.012 -1.637) 7.349 3.276 ( -2.756 1.276 -0.314) 3.053 3.322 ( 6.447 -3.659 -0.813) 7.457 3.369 ( 4.611 -2.860 1.342) 5.589 3.407 ( 5.181 1.282 -4.818) 7.190 3.481 ( 3.673 -3.836 -0.162) 5.313 3.565 ( 5.682 -4.951 -1.153) 7.624 3.646 ( 0.914 -2.051 -2.758) 3.556 3.742 ( -1.924 -2.716 2.373) 4.087 3.772 ( 4.052 -2.609 4.786) 6.792 3.973 ( 2.600 -1.258 1.798) 3.402 4.052 ( -1.007 5.305 -2.765) 6.066 4.139 ( 2.506 -4.463 -5.170) 7.275 4.208 ( -0.154 -6.947 -3.644) 7.847 4.318 ( 3.316 2.095 3.026) 4.954 4.331 ( -0.306 9.537 5.841) 11.188 4.534 ( 0.853 2.472 -3.980) 4.762 4.570 ( 0.117 1.989 -0.180) 2.000 4.657 ( 0.913 0.311 -0.862) 1.293 4.858 ( 1.537 5.361 -4.985) 7.480 4.884 ( 0.042 2.620 -2.478) 3.606 5.067 ( 0.240 2.497 5.575) 6.114 5.146 ( 4.880 5.596 -0.002) 7.425 5.311 ( 1.644 -1.177 0.802) 2.176 5.411 ( 4.417 0.775 -3.145) 5.477 5.570 ( 6.705 -1.520 -3.222) 7.592 5.723 ( -4.940 -7.017 7.745) 11.560 5.757 ( 0.982 -4.700 -4.484) 6.569 5.843 ( -0.966 -8.815 1.852) 9.059 5.970 ( -0.083 -11.242 5.074) 12.334 6.133 ( -9.227 -6.932 4.130) 12.258 6.326 ( -0.521 -3.337 -3.045) 4.548 6.364 ( -0.510 -6.637 1.476) 6.818 6.485 ( 1.702 0.858 0.713) 2.035 6.654 ( -3.783 7.032 -2.148) 8.269 6.746 ( -2.134 6.120 -2.372) 6.901 6.780 ( -2.087 9.645 -1.143) 9.934 7.285 ( -3.312 -5.189 -0.597) 6.184 7.359 ( -3.590 3.157 1.194) 4.927 7.680 ( -0.447 -2.109 2.068) 2.987 7.865 ( -0.464 -2.159 1.930) 2.933 8.080 ( -1.152 0.692 3.854) 4.081 8.215 ( -3.618 17.048 -4.326) 17.957 8.429 ( -1.217 -6.675 -1.332) 6.914 8.532 ( -3.641 -4.828 -3.863) 7.175 8.624 ( 0.371 1.314 2.277) 2.655 8.722 ( -1.640 -1.081 1.778) 2.649 8.986 ( -1.578 -7.141 0.791) 7.356 9.118 ( 2.158 -0.070 -2.671) 3.434 9.572 ( -2.712 4.082 2.852) 5.670 9.721 ( 0.931 10.021 -2.161) 10.293 10.065 ( 1.033 2.858 -2.340) 3.835 10.195 ( 2.745 2.249 -6.063) 7.026 10.315 ( -4.577 0.793 4.161) 6.236 10.587 ( -0.475 -2.496 2.026) 3.250 10.647 ( -1.251 -2.199 0.037) 2.530 10.747 ( -0.411 1.117 -0.944) 1.519 10.839 ( 1.368 -2.131 -2.196) 3.351 10.912 ( 1.904 -4.948 2.170) 5.729 11.226 ( 0.050 -6.324 3.131) 7.056 11.281 ( 1.527 -4.595 -0.580) 4.877 12.439 ( 3.355 5.376 -0.044) 6.338 12.566 ( 4.808 4.890 -1.821) 7.095 12.831 ( -1.776 -1.700 -0.197) 2.466 12.895 ( -0.119 -0.234 0.065) 0.270 14.095 ( -3.024 -0.041 1.863) 3.553 14.114 ( -1.645 -1.240 -2.633) 3.343 14.220 ( -0.981 -2.634 1.199) 3.056 14.361 ( 1.618 -1.845 -0.730) 2.560 14.781 ( -2.397 -5.609 5.736) 8.373 14.807 ( -1.866 -6.487 -3.883) 7.787 15.204 ( -5.463 4.071 0.881) 6.870 15.284 ( -4.900 9.413 0.489) 10.623 15.545 ( -0.954 -2.929 0.982) 3.233 15.664 ( -1.086 0.280 0.405) 1.192 15.797 ( 0.734 4.108 -0.037) 4.174 15.815 ( -1.283 2.894 0.416) 3.193 15.895 ( 1.195 0.544 0.058) 1.314 15.948 ( 2.920 3.486 -0.929) 4.641 16.020 ( 0.549 5.039 2.033) 5.461 16.330 ( -3.623 -0.873 -1.419) 3.988 16.743 ( 3.835 -3.155 1.967) 5.342 16.769 ( -0.211 -0.236 -0.071) 0.325 16.922 ( 0.531 -1.646 -0.728) 1.877 17.010 ( 1.324 -2.564 0.245) 2.896 17.812 ( 1.082 -1.607 1.200) 2.279 17.909 ( -1.207 0.756 -3.812) 4.069 18.078 ( -4.036 -3.103 1.471) 5.300 18.117 ( -3.029 -1.810 2.019) 4.065 21.484 ( 0.125 4.859 0.089) 4.861 21.584 ( -0.088 5.253 0.558) 5.284 21.873 ( -3.492 0.023 -2.556) 4.328 21.923 ( -3.439 -0.779 1.536) 3.846 27.252 ( -4.154 -0.504 -2.364) 4.806 27.285 ( -4.370 -2.056 -1.642) 5.101 27.487 ( -10.443 6.290 0.157) 12.192 27.515 ( -9.125 5.190 3.708) 11.133 28.840 ( 0.501 -1.448 -0.080) 1.535 28.859 ( 0.766 -1.272 -0.482) 1.561 28.989 ( -2.727 2.259 1.416) 3.814 29.013 ( -2.810 2.455 0.359) 3.748 29.922 ( -2.253 1.459 -1.519) 3.084 29.945 ( 0.229 0.918 0.306) 0.995 30.300 ( -6.358 0.957 -3.344) 7.247 30.377 ( -4.483 -0.650 3.576) 5.772 30.544 ( 1.991 3.236 2.561) 4.582 30.666 ( 5.455 2.449 -1.267) 6.113 31.313 ( -2.943 -5.241 1.194) 6.129 31.411 ( 3.662 -6.688 1.219) 7.722 31.510 ( -2.073 2.336 1.793) 3.601 31.634 ( 1.542 2.736 -0.370) 3.162 31.739 ( 0.976 0.688 -0.784) 1.429 32.073 ( -0.855 3.445 -6.311) 7.240 32.261 ( 12.693 -0.543 1.361) 12.778 32.591 ( 1.644 6.842 1.140) 7.129 33.203 ( 3.399 -10.375 1.946) 11.089 33.369 ( 9.913 -6.934 -1.735) 12.221 33.622 ( -2.190 7.475 1.525) 7.937 33.808 ( 0.365 5.041 -0.597) 5.089 34.151 ( 9.498 -9.739 1.778) 13.719 34.393 ( 10.792 -1.675 -4.542) 11.828 ======================= Grid point 90 (38/88) ======================= q-point: ( 0.30 0.17 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 16.586 4.400 -2.051) 17.282 1.907 ( 14.995 1.240 -0.000) 15.046 2.048 ( 13.745 5.727 -0.051) 14.890 2.115 ( 19.994 3.772 -2.086) 20.453 2.395 ( -2.399 6.302 -6.279) 9.213 2.678 ( 7.388 -1.108 1.704) 7.662 2.840 ( 2.158 -7.319 1.625) 7.802 2.951 ( -0.247 -0.936 5.807) 5.887 2.973 ( 0.053 -3.886 -0.823) 3.972 3.080 ( -3.517 1.353 2.307) 4.419 3.132 ( -3.823 2.781 -0.431) 4.747 3.225 ( -2.738 4.819 2.088) 5.923 3.236 ( 1.127 -0.157 -1.456) 1.848 3.341 ( -0.718 -2.230 0.911) 2.514 3.402 ( -4.867 1.209 -0.100) 5.016 3.486 ( -1.042 -4.391 -1.376) 4.718 3.563 ( 5.483 -6.988 0.555) 8.899 3.669 ( 2.634 -2.561 -4.242) 5.612 3.747 ( 0.412 -0.394 0.324) 0.656 3.786 ( 19.225 3.828 -5.517) 20.364 3.895 ( 2.067 -0.247 1.669) 2.669 4.003 ( 1.419 0.142 -0.570) 1.536 4.139 ( 5.569 -0.546 5.724) 8.004 4.163 ( 7.334 2.013 -3.605) 8.416 4.218 ( 2.231 -1.811 -2.235) 3.640 4.358 ( 1.589 5.758 -0.325) 5.982 4.407 ( 4.233 9.836 5.740) 12.150 4.519 ( -0.369 -0.273 -0.029) 0.460 4.609 ( -2.710 -0.086 -2.010) 3.375 4.661 ( 7.459 0.048 -0.318) 7.465 4.834 ( -1.793 6.706 0.898) 6.999 4.971 ( 9.889 1.720 -5.975) 11.681 5.131 ( 3.031 2.515 2.935) 4.912 5.195 ( 0.388 2.080 -0.703) 2.229 5.305 ( 0.155 -1.021 -0.549) 1.169 5.421 ( -1.389 2.288 -5.313) 5.949 5.591 ( -2.153 1.764 -2.755) 3.916 5.649 ( -2.551 -3.948 7.912) 9.203 5.785 ( 1.895 -5.691 1.325) 6.143 5.919 ( 2.181 -5.861 1.219) 6.371 5.983 ( -3.062 -11.864 4.026) 12.897 6.049 ( 0.505 -9.225 2.454) 9.560 6.270 ( -1.098 -3.660 -6.071) 7.173 6.381 ( 0.906 -7.623 1.203) 7.770 6.528 ( 0.877 1.206 3.088) 3.429 6.610 ( 0.795 5.876 -1.187) 6.047 6.629 ( -6.076 1.066 1.300) 6.304 6.809 ( 5.047 12.608 -7.844) 15.683 7.258 ( -3.409 -3.577 3.353) 5.972 7.286 ( -1.575 2.459 -0.592) 2.979 7.660 ( -2.987 -2.285 1.106) 3.920 7.856 ( -2.078 -0.525 3.296) 3.932 8.069 ( -3.205 5.947 -0.175) 6.758 8.153 ( 0.476 8.600 -2.550) 8.983 8.353 ( -4.558 -2.526 0.651) 5.252 8.450 ( -2.631 -4.663 -2.739) 6.014 8.647 ( -0.497 -1.784 0.820) 2.025 8.732 ( 1.288 0.253 3.188) 3.448 8.951 ( -2.915 -4.949 0.610) 5.776 9.101 ( -1.651 1.239 -2.531) 3.266 9.555 ( -1.748 3.427 3.981) 5.536 9.740 ( 1.485 9.324 0.487) 9.454 10.057 ( 1.232 0.541 -5.376) 5.542 10.180 ( 0.326 2.633 -5.612) 6.208 10.291 ( -1.461 0.235 5.071) 5.283 10.562 ( -2.202 -4.457 0.618) 5.009 10.616 ( -2.024 -0.804 0.696) 2.287 10.714 ( -0.815 1.663 -3.370) 3.845 10.845 ( 0.742 -1.774 -2.272) 2.976 10.975 ( 1.608 -5.565 3.127) 6.583 11.247 ( -0.148 -6.832 2.472) 7.267 11.312 ( 1.796 -4.240 -0.249) 4.611 12.512 ( 4.134 3.253 0.129) 5.262 12.645 ( 4.782 4.929 -1.090) 6.953 12.794 ( -2.249 -1.704 0.427) 2.854 12.882 ( -1.070 0.985 -0.287) 1.482 14.055 ( -2.063 -0.641 1.003) 2.381 14.079 ( -0.236 -0.633 -2.072) 2.180 14.217 ( -0.809 -2.936 2.160) 3.734 14.392 ( 1.912 -2.677 -0.373) 3.311 14.763 ( 1.591 -4.346 -4.158) 6.222 14.798 ( -1.395 -2.434 5.233) 5.938 15.113 ( -4.472 4.194 0.054) 6.131 15.187 ( -5.585 5.594 -0.486) 7.919 15.540 ( -0.478 -1.872 1.049) 2.199 15.665 ( 0.390 -1.444 0.286) 1.523 15.764 ( -3.100 4.085 1.321) 5.296 15.835 ( 2.269 4.309 -1.413) 5.071 15.917 ( 1.443 0.288 -0.363) 1.515 15.994 ( 1.990 1.410 0.175) 2.445 16.053 ( 0.928 4.329 2.547) 5.108 16.258 ( -2.103 0.613 -2.350) 3.213 16.769 ( 1.251 0.378 -0.372) 1.358 16.820 ( 1.690 -3.365 1.354) 4.001 16.913 ( -0.367 -1.375 -1.095) 1.796 17.018 ( -0.837 -2.810 0.807) 3.041 17.817 ( -0.762 -1.136 -1.807) 2.266 17.877 ( 0.403 -0.438 -0.712) 0.928 18.010 ( -4.018 -2.722 1.136) 4.984 18.073 ( -3.194 -2.290 1.757) 4.305 21.502 ( 1.961 3.427 -0.397) 3.968 21.592 ( 0.370 4.739 0.719) 4.807 21.796 ( -2.467 -0.824 -2.502) 3.609 21.864 ( -3.983 -0.357 1.349) 4.220 27.128 ( -5.026 1.395 -4.155) 6.669 27.155 ( -4.553 -0.212 -4.684) 6.536 27.357 ( -5.694 3.996 2.845) 7.516 27.425 ( -5.497 1.676 5.026) 7.634 28.848 ( 0.702 -0.872 -0.641) 1.291 28.868 ( 0.535 -1.305 -0.535) 1.508 28.956 ( -1.814 1.764 1.048) 2.739 28.970 ( -2.133 1.834 0.517) 2.860 29.889 ( -0.142 0.906 -1.059) 1.401 29.967 ( 2.013 -0.068 -0.885) 2.200 30.157 ( -5.759 0.819 -2.364) 6.279 30.304 ( -5.627 -1.555 2.590) 6.387 30.627 ( 4.749 3.246 2.084) 6.118 30.794 ( 8.378 1.962 -0.723) 8.635 31.232 ( -6.533 -2.910 1.460) 7.299 31.373 ( -5.858 -1.558 -1.331) 6.206 31.549 ( 3.767 -0.444 2.777) 4.701 31.713 ( 4.003 2.051 2.118) 4.972 31.750 ( 1.089 -1.418 -0.755) 1.941 31.986 ( -2.246 5.917 -5.889) 8.645 32.437 ( 3.365 -0.022 1.336) 3.621 32.668 ( 6.938 6.589 -2.743) 9.954 33.277 ( 1.617 -7.372 5.196) 9.163 33.516 ( 6.868 -4.664 -0.810) 8.342 33.619 ( 0.926 4.591 0.126) 4.685 33.825 ( 2.187 6.332 -1.280) 6.820 34.308 ( 7.063 -11.511 -0.913) 13.536 34.535 ( 5.355 -3.724 0.911) 6.586 ======================= Grid point 91 (39/88) ======================= q-point: ( 0.40 0.17 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 13.568 1.030 4.336) 14.281 2.157 ( 11.675 -1.153 -1.525) 11.830 2.263 ( 7.268 7.507 -2.869) 10.836 2.349 ( 5.237 5.523 -0.070) 7.611 2.409 ( 13.539 -0.234 -4.873) 14.391 2.774 ( -0.047 -1.593 0.909) 1.835 2.814 ( -4.036 1.324 -1.702) 4.575 2.951 ( -1.877 0.315 6.755) 7.018 2.982 ( -2.166 0.685 -0.058) 2.272 3.061 ( -0.580 -2.813 7.662) 8.183 3.099 ( 1.225 5.489 -2.220) 6.047 3.168 ( -1.408 -2.131 -2.744) 3.749 3.211 ( -6.742 5.053 0.597) 8.446 3.330 ( 0.035 -0.964 1.896) 2.127 3.364 ( 0.737 -2.463 4.088) 4.829 3.434 ( 0.790 -4.823 -4.205) 6.448 3.618 ( 0.237 -5.995 -1.109) 6.101 3.659 ( 0.351 0.162 -4.276) 4.294 3.692 ( -6.104 -0.197 0.083) 6.108 3.871 ( 0.334 -5.272 -1.394) 5.463 3.990 ( 2.947 -1.638 0.605) 3.426 4.081 ( 1.833 5.621 2.606) 6.461 4.178 ( -1.033 2.079 0.342) 2.346 4.254 ( 2.420 1.276 0.830) 2.859 4.280 ( 3.034 3.345 -0.206) 4.520 4.415 ( -0.530 3.437 -0.392) 3.500 4.495 ( 7.966 7.866 -1.810) 11.341 4.538 ( -2.264 -1.589 2.898) 4.007 4.653 ( 6.476 -2.647 0.083) 6.996 4.737 ( 0.145 3.782 1.713) 4.154 4.850 ( 5.241 1.776 -1.082) 5.639 5.093 ( 7.214 -0.927 -6.204) 9.559 5.153 ( 0.787 -2.287 -2.008) 3.143 5.246 ( 4.149 2.468 -4.155) 6.370 5.336 ( 0.928 4.018 1.076) 4.262 5.358 ( 1.098 0.819 -0.325) 1.407 5.505 ( -3.303 0.733 -1.449) 3.681 5.749 ( 3.651 -3.685 8.682) 10.114 5.757 ( -3.707 0.229 -2.787) 4.644 5.914 ( -3.193 0.198 6.006) 6.805 6.003 ( -2.195 -13.298 5.165) 14.434 6.115 ( 6.496 -12.771 -4.568) 15.039 6.224 ( 2.399 -1.950 -5.954) 6.708 6.386 ( -2.189 -6.100 1.040) 6.564 6.547 ( -1.376 2.259 2.106) 3.381 6.556 ( -2.684 1.193 0.643) 3.007 6.643 ( 2.415 4.990 0.244) 5.549 6.833 ( 3.962 10.479 -7.579) 13.526 7.195 ( -4.258 4.596 6.407) 8.961 7.317 ( 2.264 -5.738 0.061) 6.169 7.602 ( -3.139 -2.042 0.684) 3.806 7.823 ( -2.857 -0.407 -0.005) 2.886 8.022 ( -0.921 10.309 -0.616) 10.369 8.127 ( -0.153 3.375 -5.936) 6.830 8.310 ( -2.684 0.247 6.172) 6.735 8.394 ( -1.116 -6.139 -1.627) 6.448 8.632 ( -0.358 -2.824 -0.637) 2.917 8.796 ( 1.229 -1.097 4.507) 4.799 8.886 ( -2.961 -0.941 -2.100) 3.751 9.037 ( -2.540 0.779 -2.057) 3.360 9.564 ( -1.491 2.883 5.718) 6.575 9.775 ( 1.087 9.269 1.677) 9.482 10.030 ( 1.235 -1.058 -7.111) 7.294 10.130 ( -0.964 2.783 -5.036) 5.834 10.333 ( 0.862 0.006 6.356) 6.414 10.541 ( -1.008 -4.877 2.843) 5.735 10.591 ( -1.102 -0.637 0.895) 1.556 10.682 ( -0.052 1.600 -2.476) 2.948 10.832 ( 0.387 -1.817 -3.112) 3.624 10.993 ( -0.726 -5.042 -1.189) 5.231 11.258 ( -0.490 -7.209 1.923) 7.477 11.335 ( 1.030 -4.251 -0.947) 4.475 12.591 ( 4.030 1.440 0.175) 4.283 12.719 ( 2.306 2.994 -0.191) 3.784 12.756 ( -0.939 -0.172 0.356) 1.019 12.853 ( -1.971 2.388 0.048) 3.097 14.033 ( -1.206 -1.004 1.014) 1.868 14.069 ( 0.927 -1.103 -2.209) 2.638 14.223 ( -0.851 -2.334 3.328) 4.153 14.416 ( 1.063 -3.307 -1.385) 3.740 14.793 ( 3.730 -1.758 -2.051) 4.606 14.810 ( -0.704 0.261 2.824) 2.922 15.044 ( -2.526 1.543 -0.291) 2.974 15.077 ( -5.190 3.365 -0.491) 6.205 15.541 ( -0.269 -0.715 1.016) 1.271 15.665 ( -0.326 -1.973 -1.532) 2.519 15.727 ( -1.776 4.970 2.333) 5.770 15.861 ( 1.659 4.327 -1.861) 4.994 15.945 ( 1.436 0.526 0.226) 1.546 16.017 ( 0.597 0.537 -0.442) 0.916 16.089 ( 0.399 3.638 2.926) 4.686 16.216 ( -0.478 0.233 -2.218) 2.281 16.801 ( 2.024 0.314 -0.198) 2.058 16.838 ( 0.290 -1.433 -0.226) 1.480 16.902 ( -0.204 -2.270 -0.023) 2.279 16.995 ( -1.896 -2.176 0.163) 2.890 17.791 ( -0.192 -0.458 -0.998) 1.115 17.887 ( 0.338 -1.570 -0.561) 1.701 17.954 ( -2.479 -2.258 1.030) 3.508 18.028 ( -2.464 -2.652 0.617) 3.673 21.546 ( 2.635 1.724 -0.117) 3.151 21.604 ( 0.304 3.811 0.483) 3.854 21.750 ( -0.576 -0.956 -1.562) 1.920 21.796 ( -3.998 0.494 0.827) 4.112 27.053 ( -0.765 1.200 -0.196) 1.437 27.070 ( -1.952 0.686 -0.902) 2.257 27.283 ( -3.434 2.278 -0.489) 4.150 27.357 ( -4.490 0.693 1.164) 4.690 28.858 ( 0.867 -0.344 -0.576) 1.096 28.873 ( 0.403 -0.949 -0.482) 1.138 28.935 ( -1.087 1.595 0.022) 1.930 28.940 ( -1.526 0.946 1.129) 2.121 29.900 ( 1.302 0.256 0.698) 1.500 29.997 ( 1.938 -1.364 -1.585) 2.851 30.066 ( -2.235 1.140 -0.452) 2.549 30.212 ( -5.644 -1.507 1.068) 5.939 30.749 ( 6.377 2.742 1.993) 7.222 30.952 ( 8.964 1.373 -1.442) 9.183 31.101 ( -8.402 -0.528 1.987) 8.650 31.235 ( -6.716 0.815 -2.976) 7.391 31.634 ( 0.804 -0.261 4.707) 4.782 31.762 ( 3.282 -0.026 -1.472) 3.597 31.783 ( 1.039 -1.000 -0.343) 1.482 31.921 ( -1.645 3.103 -0.410) 3.536 32.464 ( 0.153 4.794 0.615) 4.836 32.750 ( 4.764 4.504 -6.918) 9.531 33.345 ( 0.198 -4.615 7.808) 9.072 33.592 ( 1.307 -4.951 0.114) 5.122 33.662 ( 3.728 1.601 -0.768) 4.129 33.856 ( 2.464 7.059 -3.363) 8.199 34.412 ( 3.552 -11.049 1.982) 11.774 34.603 ( 2.118 -3.755 -0.897) 4.403 ======================= Grid point 92 (40/88) ======================= q-point: (-0.50 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( -3.755 0.999 2.848) 4.818 2.302 ( 6.076 0.694 -2.063) 6.454 2.322 ( 0.281 0.495 1.609) 1.707 2.503 ( 4.502 2.947 -1.979) 5.733 2.564 ( 3.390 0.923 -0.242) 3.522 2.668 ( -3.217 3.934 0.047) 5.082 2.859 ( -0.284 3.089 1.287) 3.358 2.886 ( -2.096 -0.184 2.676) 3.404 2.912 ( -5.062 0.892 -2.158) 5.575 3.052 ( -3.676 4.828 2.714) 6.647 3.088 ( -0.703 3.283 0.394) 3.380 3.110 ( -4.957 2.520 5.126) 7.563 3.223 ( 4.922 -7.979 1.951) 9.576 3.347 ( 4.651 -0.067 -4.243) 6.296 3.462 ( 3.486 -1.672 4.967) 6.294 3.485 ( 3.962 -4.874 -0.607) 6.311 3.561 ( -5.106 -3.431 2.593) 6.676 3.607 ( 1.669 5.125 -5.997) 8.063 3.672 ( 5.405 -2.448 -3.315) 6.796 3.799 ( -3.316 -3.029 -6.168) 7.630 4.014 ( -8.266 -1.153 5.059) 9.759 4.074 ( 1.340 -2.063 4.285) 4.941 4.240 ( 3.490 -2.293 0.834) 4.258 4.254 ( -0.942 5.133 1.655) 5.475 4.312 ( -5.403 3.799 -3.018) 7.261 4.339 ( 4.171 4.578 -1.710) 6.425 4.553 ( -0.627 -0.236 1.660) 1.790 4.622 ( 2.111 8.725 2.898) 9.433 4.637 ( 0.085 1.881 -0.515) 1.952 4.783 ( -2.954 -0.531 1.257) 3.254 4.945 ( 4.021 -0.923 0.993) 4.244 5.131 ( 1.287 -4.345 -0.832) 4.608 5.169 ( 0.936 -4.833 -9.363) 10.578 5.222 ( 1.762 -1.344 -6.862) 7.211 5.362 ( 1.626 4.323 0.589) 4.656 5.423 ( 3.739 4.138 -2.047) 5.940 5.468 ( -0.014 -2.088 0.529) 2.154 5.644 ( -4.520 3.253 -4.530) 7.178 5.770 ( -10.174 -3.843 8.960) 14.091 5.923 ( 1.159 1.052 4.540) 4.802 5.990 ( -4.833 -9.088 6.248) 12.041 6.161 ( 1.950 -9.202 -6.015) 11.165 6.294 ( 0.673 0.745 -3.086) 3.245 6.334 ( 4.294 -9.172 0.314) 10.132 6.523 ( -1.586 2.037 1.040) 2.784 6.536 ( -0.255 1.687 1.201) 2.086 6.685 ( 0.944 5.332 1.475) 5.612 6.849 ( 4.227 9.318 -7.136) 12.475 7.206 ( -1.435 3.077 8.026) 8.714 7.338 ( -0.096 -5.363 -0.343) 5.375 7.579 ( -0.011 -1.125 1.992) 2.288 7.761 ( -2.082 1.210 -3.500) 4.249 8.013 ( 0.002 5.900 -0.176) 5.902 8.072 ( -0.385 4.010 -5.225) 6.597 8.333 ( 0.223 0.571 4.731) 4.771 8.396 ( 2.294 -7.603 -0.278) 7.946 8.638 ( 0.754 -1.301 1.032) 1.824 8.770 ( -4.007 2.355 -1.170) 4.792 8.871 ( -0.010 -3.134 1.347) 3.411 9.007 ( 2.251 0.527 -2.351) 3.297 9.581 ( -1.935 2.166 6.767) 7.364 9.802 ( 0.340 9.338 2.016) 9.559 10.001 ( 1.767 -1.208 -7.159) 7.473 10.075 ( -0.545 2.838 -5.119) 5.878 10.404 ( 0.496 0.163 7.449) 7.467 10.572 ( 0.888 -4.752 4.940) 6.912 10.592 ( 0.494 -0.583 0.825) 1.124 10.669 ( 0.276 2.100 -2.268) 3.103 10.823 ( 1.367 -2.689 -2.471) 3.899 10.933 ( -2.428 -5.068 -5.626) 7.952 11.256 ( -1.288 -7.166 1.797) 7.500 11.336 ( 0.218 -4.194 -1.561) 4.480 12.663 ( 3.003 0.442 0.328) 3.053 12.683 ( -3.075 -0.692 0.229) 3.160 12.801 ( -0.239 2.836 0.383) 2.872 12.814 ( 0.697 3.604 -0.082) 3.672 14.021 ( -0.930 -0.887 0.776) 1.501 14.079 ( 1.771 -1.985 -2.116) 3.399 14.237 ( -0.912 -1.763 4.605) 5.014 14.408 ( -0.111 -3.368 -2.786) 4.372 14.784 ( -3.359 1.812 1.821) 4.229 14.874 ( 5.162 -0.115 -2.202) 5.614 14.983 ( -3.738 0.628 1.723) 4.163 15.042 ( 1.990 1.378 -1.124) 2.669 15.545 ( -0.342 -0.108 1.341) 1.389 15.637 ( -0.329 -1.022 -2.594) 2.807 15.731 ( -0.500 4.072 3.009) 5.088 15.864 ( 0.443 4.307 -2.485) 4.993 15.965 ( -0.031 0.188 0.910) 0.930 16.016 ( 0.196 0.663 -1.218) 1.400 16.103 ( -1.402 3.039 2.724) 4.315 16.210 ( 1.493 0.086 -1.846) 2.376 16.821 ( -0.146 -0.513 -0.008) 0.533 16.840 ( 0.137 0.595 -0.654) 0.895 16.912 ( 0.975 -2.457 1.146) 2.881 16.960 ( -1.249 -1.962 -0.876) 2.486 17.802 ( 1.423 -0.672 0.805) 1.767 17.866 ( -1.097 -1.562 -2.036) 2.791 17.949 ( 0.560 -2.492 1.746) 3.093 17.995 ( -0.920 -2.560 -0.455) 2.758 21.572 ( -0.982 2.127 0.821) 2.483 21.618 ( 1.612 1.282 -0.983) 2.282 21.725 ( -2.510 0.889 0.872) 2.802 21.767 ( 2.074 -0.025 -0.846) 2.240 27.070 ( 1.623 1.363 2.419) 3.216 27.097 ( 3.409 0.498 3.729) 5.077 27.219 ( -1.644 1.577 -3.384) 4.079 27.276 ( -3.299 0.522 -2.943) 4.451 28.869 ( 0.081 -0.048 -0.256) 0.273 28.874 ( 0.439 -0.274 -0.628) 0.814 28.921 ( -0.328 0.933 0.534) 1.124 28.929 ( -0.367 0.747 0.395) 0.922 29.928 ( -0.161 0.068 1.987) 1.994 30.028 ( 2.910 -1.666 -0.156) 3.357 30.069 ( 2.422 0.363 -0.926) 2.618 30.114 ( -4.601 -0.775 -0.379) 4.681 30.870 ( 1.361 2.241 2.667) 3.740 30.975 ( -3.569 0.264 2.899) 4.606 31.048 ( -3.971 2.304 -4.397) 6.357 31.135 ( 5.807 0.624 -2.564) 6.379 31.633 ( -2.881 0.238 3.080) 4.224 31.777 ( 0.071 -0.677 -1.792) 1.917 31.859 ( 3.562 -0.136 2.076) 4.125 31.894 ( -0.176 0.604 0.653) 0.907 32.476 ( 0.078 5.794 1.976) 6.122 32.732 ( 0.210 5.036 -9.391) 10.658 33.398 ( -1.636 -3.393 8.742) 9.519 33.596 ( -0.360 -5.620 -0.578) 5.661 33.708 ( 0.686 0.819 0.535) 1.195 33.852 ( 0.738 6.643 -5.499) 8.656 34.446 ( -3.631 -9.976 4.597) 11.569 34.630 ( 3.397 -4.026 -3.062) 6.093 ======================= Grid point 93 (41/88) ======================= q-point: (-0.40 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( -13.280 -2.350 2.451) 13.707 2.228 ( -11.039 1.448 2.241) 11.357 2.332 ( -3.255 6.528 -2.782) 7.807 2.385 ( -15.016 -0.306 -7.986) 17.010 2.537 ( -3.639 0.714 5.614) 6.728 2.597 ( -2.290 5.898 -6.621) 9.158 2.789 ( -2.550 2.302 4.180) 5.411 2.885 ( 3.127 2.064 -0.478) 3.777 2.927 ( -1.341 2.840 3.685) 4.842 3.051 ( -0.740 -0.301 2.672) 2.788 3.103 ( 4.554 3.007 -0.610) 5.491 3.167 ( 7.007 0.988 2.666) 7.562 3.255 ( -3.849 -6.500 1.736) 7.751 3.419 ( -0.940 -3.401 -1.479) 3.826 3.452 ( -0.556 -3.343 0.570) 3.437 3.499 ( 1.604 -1.808 -1.544) 2.868 3.604 ( 0.183 -3.502 -3.572) 5.005 3.661 ( 6.684 -2.123 5.358) 8.825 3.735 ( 3.085 1.983 -3.995) 5.423 3.828 ( 10.913 1.819 -3.498) 11.603 3.869 ( -10.981 -2.036 1.799) 11.312 4.044 ( -4.153 0.480 0.404) 4.200 4.198 ( -3.820 2.393 2.375) 5.095 4.258 ( 0.237 -0.801 1.161) 1.430 4.332 ( -1.711 2.714 0.604) 3.265 4.375 ( 3.020 3.701 -2.181) 5.251 4.484 ( -6.461 0.009 0.897) 6.523 4.611 ( -8.423 3.281 -1.521) 9.167 4.650 ( -2.406 2.993 1.481) 4.116 4.734 ( 6.551 7.531 3.484) 10.572 4.929 ( -8.778 -3.808 -0.629) 9.589 5.050 ( -3.468 -1.145 -7.624) 8.454 5.161 ( 1.638 -2.416 -0.664) 2.993 5.217 ( 1.526 0.569 -5.341) 5.584 5.387 ( 0.544 3.639 0.746) 3.754 5.424 ( -2.363 -2.364 -4.248) 5.406 5.476 ( 2.301 6.324 -1.261) 6.847 5.583 ( -3.839 -4.245 5.733) 8.101 5.669 ( -1.709 -6.040 4.013) 7.451 5.921 ( -6.047 -6.552 5.130) 10.287 5.956 ( -1.451 1.608 4.031) 4.577 6.123 ( -2.313 -5.329 -4.497) 7.347 6.206 ( -1.834 -4.697 -2.780) 5.758 6.437 ( 0.856 -5.969 -0.407) 6.044 6.534 ( 1.508 0.393 -0.314) 1.590 6.544 ( 0.411 0.974 1.513) 1.846 6.697 ( -1.027 6.418 1.583) 6.690 6.907 ( 8.223 5.678 -7.829) 12.694 7.227 ( -3.122 0.988 6.680) 7.439 7.329 ( 0.013 -2.347 0.305) 2.367 7.629 ( 1.906 -0.046 4.427) 4.820 7.708 ( 0.645 1.918 -4.109) 4.580 7.994 ( -0.844 2.050 -2.133) 3.077 8.077 ( 3.742 4.250 -1.176) 5.783 8.380 ( 2.153 -0.872 1.014) 2.534 8.472 ( 5.218 -7.955 0.738) 9.542 8.637 ( -2.431 4.542 -0.309) 5.161 8.718 ( -1.236 0.815 2.487) 2.895 8.869 ( 0.898 -4.171 -0.996) 4.382 9.073 ( 5.022 0.063 -1.555) 5.258 9.594 ( -2.329 2.223 6.892) 7.607 9.821 ( 0.314 8.731 1.234) 8.823 9.994 ( 2.498 0.483 -4.901) 5.522 10.031 ( 0.027 2.506 -5.211) 5.782 10.457 ( -0.858 0.688 6.918) 7.004 10.602 ( -0.412 1.342 -5.000) 5.193 10.627 ( 1.087 -2.642 3.356) 4.408 10.653 ( 0.627 -1.675 0.858) 1.983 10.837 ( -1.159 -5.420 -5.413) 7.747 10.866 ( 3.004 -2.977 -0.068) 4.230 11.239 ( -1.937 -6.852 1.930) 7.378 11.324 ( -0.326 -4.035 -1.040) 4.180 12.609 ( -4.172 0.869 0.250) 4.269 12.715 ( -0.347 2.099 -0.094) 2.129 12.758 ( -0.264 1.350 0.180) 1.387 12.863 ( 2.079 1.773 0.063) 2.734 14.013 ( -0.262 -0.742 0.304) 0.843 14.099 ( 1.860 -2.619 -1.752) 3.659 14.258 ( -0.972 -1.607 5.313) 5.635 14.377 ( -0.429 -2.898 -3.141) 4.295 14.718 ( -4.110 1.012 0.183) 4.236 14.901 ( -1.029 -0.385 0.813) 1.367 15.003 ( 4.748 1.952 -0.596) 5.168 15.098 ( 4.023 1.934 -0.380) 4.480 15.547 ( -0.618 -0.651 1.530) 1.774 15.628 ( 1.362 -1.405 -1.680) 2.580 15.743 ( -0.705 4.680 2.604) 5.401 15.842 ( -0.417 4.171 -2.537) 4.899 15.952 ( -1.822 -0.172 0.343) 1.862 16.016 ( 0.498 2.095 -0.617) 2.240 16.088 ( -1.906 1.203 2.810) 3.603 16.233 ( 2.193 0.645 -2.018) 3.050 16.804 ( -1.505 0.339 -0.266) 1.566 16.821 ( -1.489 -0.094 0.017) 1.492 16.933 ( -0.202 -2.600 -0.741) 2.711 16.957 ( 1.954 -1.536 0.703) 2.583 17.821 ( -0.966 -1.589 -1.829) 2.608 17.857 ( 2.487 -0.673 0.555) 2.636 17.983 ( 1.195 -2.740 0.439) 3.021 17.997 ( 1.991 -2.511 0.931) 3.337 21.540 ( -2.240 2.327 -0.094) 3.231 21.610 ( -2.277 3.244 0.531) 3.998 21.728 ( 2.860 -0.844 -1.097) 3.177 21.821 ( 3.463 -0.054 0.293) 3.476 27.148 ( 2.364 0.857 0.757) 2.626 27.160 ( 0.120 0.402 -2.974) 3.004 27.206 ( 1.449 2.253 -2.820) 3.890 27.247 ( 6.639 1.336 4.610) 8.192 28.852 ( -0.930 -0.384 -0.658) 1.202 28.881 ( 0.089 -0.291 -0.437) 0.532 28.922 ( 0.321 1.298 0.466) 1.416 28.945 ( 1.340 0.949 0.717) 1.792 29.928 ( -1.037 0.268 1.598) 1.924 29.999 ( -3.626 -0.561 -2.702) 4.557 30.110 ( 3.872 -0.425 -2.437) 4.595 30.159 ( 5.955 -0.904 3.281) 6.859 30.783 ( -8.391 2.836 3.936) 9.692 30.883 ( -7.371 1.862 -3.415) 8.335 31.073 ( 6.640 0.047 1.268) 6.761 31.269 ( 8.337 -0.131 -2.395) 8.676 31.603 ( -3.029 1.022 3.998) 5.119 31.764 ( -0.806 -0.413 -0.530) 1.049 31.806 ( -4.028 -0.611 -0.885) 4.169 32.010 ( 6.242 -0.014 0.347) 6.251 32.483 ( -1.967 4.582 3.093) 5.868 32.629 ( -2.919 6.745 -8.834) 11.492 33.413 ( -3.945 -3.722 8.351) 9.957 33.569 ( -2.091 -6.243 -0.826) 6.636 33.690 ( -2.402 2.303 -0.361) 3.347 33.813 ( -0.426 5.684 -4.260) 7.116 34.347 ( -8.763 -7.516 1.463) 11.637 34.685 ( 3.194 -6.751 -0.333) 7.476 ======================= Grid point 94 (42/88) ======================= q-point: (-0.30 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( -20.983 -0.813 2.556) 21.154 1.870 ( -25.161 5.181 -7.981) 26.900 2.066 ( -9.612 2.611 -0.430) 9.970 2.212 ( -7.431 4.245 3.839) 9.380 2.427 ( -1.323 4.706 -10.705) 11.769 2.611 ( -1.522 -0.482 3.193) 3.570 2.804 ( -2.247 -3.333 -1.769) 4.392 2.830 ( -1.557 2.591 7.004) 7.629 3.018 ( -0.631 3.000 -0.015) 3.066 3.022 ( -5.946 1.714 1.499) 6.367 3.142 ( -4.424 0.815 5.807) 7.345 3.223 ( 3.342 0.933 -1.156) 3.658 3.314 ( 3.544 4.009 1.305) 5.507 3.327 ( -3.647 -8.921 -0.950) 9.685 3.411 ( -4.101 -7.053 1.105) 8.233 3.519 ( -1.663 -2.887 0.069) 3.333 3.548 ( -2.956 -3.440 -3.360) 5.644 3.639 ( -6.328 5.997 -5.492) 10.304 3.708 ( -2.916 0.959 -3.816) 4.898 3.803 ( 2.409 -5.113 1.959) 5.982 3.954 ( -3.100 -0.138 2.571) 4.030 4.041 ( 5.865 2.502 -2.268) 6.768 4.123 ( -2.887 -1.616 -1.749) 3.743 4.186 ( -6.365 6.419 -2.894) 9.492 4.236 ( -4.852 -1.002 5.988) 7.772 4.380 ( -2.482 -0.529 2.182) 3.347 4.495 ( -4.464 9.139 -4.567) 11.149 4.511 ( 3.161 -4.164 3.019) 6.037 4.584 ( -4.682 6.921 1.651) 8.517 4.720 ( -7.957 -2.101 1.075) 8.300 4.855 ( 0.992 7.105 -2.320) 7.540 4.929 ( -0.087 2.889 -2.975) 4.148 5.116 ( -4.975 3.066 -1.783) 6.110 5.222 ( 2.492 1.687 -2.949) 4.214 5.335 ( -2.908 -2.638 -1.994) 4.403 5.407 ( -1.051 -4.420 0.842) 4.621 5.495 ( 0.015 4.483 -0.985) 4.590 5.625 ( 3.153 -7.733 8.404) 11.847 5.715 ( 2.086 -7.108 -0.724) 7.443 5.867 ( -2.671 -8.287 1.662) 8.864 5.953 ( -0.487 1.119 3.436) 3.646 6.029 ( -4.291 -6.112 1.186) 7.561 6.197 ( 2.545 -1.892 -3.917) 5.040 6.399 ( -3.583 -5.034 0.223) 6.183 6.533 ( -0.588 1.818 1.247) 2.282 6.588 ( 2.444 0.512 -0.981) 2.682 6.682 ( -0.446 8.099 0.643) 8.137 7.005 ( 8.725 -1.276 -9.264) 12.790 7.197 ( -4.721 2.117 5.914) 7.858 7.349 ( 1.726 -0.797 0.101) 1.904 7.648 ( -1.298 2.510 0.744) 2.922 7.789 ( 6.601 -2.145 3.658) 7.845 7.981 ( 0.830 4.582 -0.123) 4.658 8.166 ( 6.581 0.583 -2.324) 7.004 8.414 ( 1.185 -1.612 -1.578) 2.548 8.568 ( 1.343 2.809 -2.957) 4.294 8.605 ( 2.972 -4.084 3.078) 5.916 8.709 ( -2.710 0.252 3.652) 4.555 8.913 ( 3.864 -4.755 -0.471) 6.145 9.140 ( 2.957 -0.446 -1.755) 3.468 9.599 ( -2.285 3.910 5.690) 7.273 9.833 ( 0.824 7.763 -1.178) 7.895 9.990 ( 0.298 1.785 -5.773) 6.050 10.023 ( 2.571 2.952 -0.274) 3.924 10.479 ( -2.296 1.027 3.440) 4.262 10.494 ( -3.389 1.554 -5.600) 6.728 10.680 ( 1.952 -1.820 2.329) 3.542 10.695 ( 2.209 -2.976 0.810) 3.794 10.787 ( 0.497 -5.533 -4.890) 7.401 10.944 ( 2.787 -2.184 2.753) 4.485 11.219 ( -1.843 -6.360 2.358) 7.029 11.310 ( -0.729 -3.969 -0.149) 4.038 12.532 ( -4.187 2.591 0.386) 4.939 12.651 ( -3.849 4.386 -1.387) 5.998 12.799 ( 2.448 -1.609 0.382) 2.954 12.886 ( 0.491 0.821 -0.205) 0.978 14.020 ( 0.978 -0.963 0.118) 1.378 14.121 ( 1.757 -2.483 -1.317) 3.314 14.275 ( -1.042 -1.921 3.620) 4.229 14.356 ( 0.390 -2.065 -1.661) 2.679 14.643 ( -3.677 -0.174 0.010) 3.682 14.907 ( 1.204 0.204 1.290) 1.776 15.095 ( 5.067 2.268 -0.352) 5.563 15.174 ( 4.098 3.595 -0.160) 5.454 15.545 ( -0.597 -2.241 1.047) 2.545 15.653 ( 1.369 -0.131 0.273) 1.402 15.749 ( 0.165 5.041 1.228) 5.191 15.821 ( -0.061 3.959 -1.317) 4.173 15.909 ( -2.438 0.964 -0.423) 2.655 16.012 ( -1.028 3.190 0.116) 3.353 16.092 ( -0.095 -1.068 3.400) 3.565 16.254 ( 2.084 0.594 -3.121) 3.799 16.763 ( -2.096 1.291 -0.304) 2.480 16.803 ( -0.940 -1.323 1.203) 2.021 16.917 ( -0.630 -3.476 -1.421) 3.808 17.001 ( 1.474 -0.872 1.270) 2.132 17.786 ( -0.982 -1.164 -1.802) 2.359 17.906 ( 2.268 -0.861 -0.604) 2.500 18.021 ( 3.013 -1.597 0.150) 3.413 18.067 ( 3.392 -3.546 2.575) 5.542 21.497 ( -1.893 3.261 -0.551) 3.811 21.567 ( -2.425 4.621 0.718) 5.267 21.786 ( 4.080 -1.282 -1.691) 4.599 21.892 ( 3.504 -0.292 0.655) 3.577 27.114 ( -0.506 0.645 -4.872) 4.940 27.141 ( 1.454 0.124 -3.696) 3.973 27.342 ( 8.966 6.011 2.954) 11.192 27.441 ( 9.219 1.710 4.608) 10.447 28.831 ( -0.808 -0.780 -0.418) 1.198 28.869 ( -0.638 -1.103 -0.646) 1.428 28.943 ( 1.263 2.480 0.654) 2.859 28.982 ( 1.899 1.252 0.787) 2.407 29.910 ( -1.844 0.150 -1.343) 2.286 29.927 ( -1.574 0.724 -0.469) 1.795 30.173 ( 4.855 0.218 -2.695) 5.557 30.306 ( 6.650 -1.534 2.686) 7.334 30.661 ( -7.906 3.564 4.235) 9.651 30.737 ( -5.232 2.003 -2.765) 6.247 31.195 ( 5.121 -1.455 1.087) 5.434 31.392 ( 5.791 -2.076 -1.056) 6.242 31.569 ( -4.346 1.464 3.215) 5.600 31.708 ( -3.144 2.512 0.762) 4.096 31.776 ( 0.485 -1.141 -0.320) 1.281 32.065 ( 0.426 -2.841 -6.035) 6.684 32.448 ( -3.660 5.782 4.629) 8.262 32.518 ( -3.190 6.396 -4.685) 8.546 33.370 ( -6.781 -5.656 6.030) 10.693 33.496 ( -4.755 -5.481 -1.411) 7.392 33.647 ( -0.911 2.916 -0.524) 3.100 33.776 ( -1.059 5.311 -1.568) 5.638 34.166 ( -10.135 -5.309 -0.328) 11.446 34.730 ( 1.259 -10.049 0.434) 10.137 ======================= Grid point 95 (43/88) ======================= q-point: (-0.20 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -27.100 9.580 -4.707) 29.126 1.358 ( -25.606 7.954 1.774) 26.871 1.872 ( -9.931 4.732 -4.536) 11.899 2.233 ( 2.997 -2.452 11.787) 12.407 2.312 ( -9.916 8.524 -7.241) 14.947 2.400 ( -20.734 13.668 -0.911) 24.851 2.720 ( -3.023 -5.133 -2.150) 6.333 2.790 ( -10.979 -0.482 3.593) 11.562 2.869 ( -5.290 -0.892 2.059) 5.746 2.942 ( -1.992 -2.660 2.190) 3.980 3.123 ( -4.140 -8.039 0.954) 9.092 3.208 ( 0.723 -0.560 1.758) 1.982 3.269 ( -5.601 -2.694 -1.345) 6.360 3.343 ( 0.276 -3.265 -4.714) 5.741 3.355 ( -1.129 3.643 0.786) 3.894 3.469 ( -2.378 2.705 -3.640) 5.121 3.509 ( -4.295 0.302 1.156) 4.458 3.573 ( -3.827 4.036 -2.746) 6.203 3.642 ( 6.144 -5.485 1.804) 8.431 3.817 ( -1.217 -6.274 -1.304) 6.523 3.846 ( -6.824 3.604 2.770) 8.199 3.986 ( -11.294 -3.993 5.487) 13.176 4.079 ( -0.623 1.010 -7.366) 7.461 4.138 ( -2.065 -0.104 -2.455) 3.210 4.196 ( 0.508 6.860 0.892) 6.936 4.342 ( -1.505 3.443 1.736) 4.139 4.362 ( -1.535 -0.794 1.591) 2.349 4.535 ( -0.646 4.309 -0.159) 4.360 4.620 ( 0.990 0.148 -0.450) 1.098 4.643 ( 0.876 4.477 -4.714) 6.560 4.782 ( -2.300 -0.751 -2.422) 3.423 4.955 ( 0.002 7.192 -2.089) 7.489 5.039 ( -2.470 2.876 2.954) 4.806 5.217 ( -2.480 3.693 -2.361) 5.036 5.308 ( 0.724 -6.050 -0.744) 6.139 5.364 ( -4.094 -0.337 1.040) 4.238 5.447 ( -3.260 -3.235 -0.709) 4.647 5.657 ( -5.022 -5.540 0.756) 7.516 5.791 ( 3.465 -12.288 0.216) 12.769 5.842 ( 0.752 -9.034 7.439) 11.727 6.014 ( 3.851 2.138 -0.556) 4.440 6.041 ( 3.554 -7.780 4.714) 9.767 6.228 ( 3.644 2.651 -3.363) 5.623 6.344 ( -2.347 -5.720 1.898) 6.467 6.529 ( -1.109 1.952 0.699) 2.352 6.602 ( 1.452 3.136 -3.071) 4.623 6.720 ( 3.341 7.716 -0.324) 8.415 7.097 ( 9.113 -6.475 -9.707) 14.805 7.162 ( -3.729 5.008 7.839) 10.022 7.398 ( 3.376 -0.854 0.457) 3.512 7.618 ( -2.720 4.451 1.710) 5.489 7.902 ( 0.407 -3.761 2.657) 4.623 8.061 ( 7.280 3.541 3.245) 8.722 8.263 ( 5.817 -4.422 -5.585) 9.197 8.405 ( -0.077 4.056 -0.566) 4.096 8.538 ( -1.505 6.859 -1.750) 7.236 8.678 ( -1.542 -2.949 2.303) 4.047 8.726 ( 5.369 -6.186 0.186) 8.193 8.974 ( 2.021 -5.470 0.306) 5.840 9.150 ( -0.147 -1.242 -2.284) 2.604 9.597 ( -1.730 6.085 3.669) 7.313 9.829 ( 0.817 7.442 -3.619) 8.315 9.950 ( -0.368 0.996 -3.942) 4.082 10.085 ( 3.447 4.192 0.920) 5.504 10.363 ( -3.555 -0.214 -4.300) 5.584 10.496 ( -1.794 1.854 5.786) 6.335 10.712 ( 0.481 -3.855 0.205) 3.890 10.760 ( 3.801 -0.796 0.432) 3.907 10.772 ( 0.744 -4.335 -2.501) 5.059 10.986 ( -0.167 -1.474 0.765) 1.669 11.208 ( -1.425 -5.446 2.646) 6.221 11.297 ( -0.426 -4.134 0.010) 4.156 12.461 ( -3.651 4.380 0.481) 5.722 12.562 ( -3.883 3.683 -2.706) 5.997 12.834 ( 0.836 -1.936 -0.143) 2.114 12.889 ( 0.331 0.295 0.131) 0.462 14.051 ( 2.019 -1.932 0.311) 2.812 14.150 ( 2.375 -0.920 -0.815) 2.674 14.280 ( -0.185 -1.410 1.231) 1.881 14.358 ( 0.785 -1.647 -2.023) 2.724 14.597 ( -1.872 -1.862 3.103) 4.074 14.970 ( 4.956 -1.164 -0.112) 5.092 15.185 ( 4.137 2.588 1.133) 5.010 15.253 ( 4.637 7.733 0.525) 9.032 15.545 ( -0.175 -2.676 0.950) 2.845 15.672 ( 0.400 2.442 0.760) 2.588 15.773 ( 1.577 4.395 -0.293) 4.679 15.819 ( 0.171 3.273 0.187) 3.283 15.864 ( -1.954 2.006 -0.195) 2.807 15.977 ( -2.557 3.364 -0.143) 4.228 16.134 ( 1.764 -2.375 3.123) 4.302 16.269 ( 2.371 0.769 -2.602) 3.603 16.744 ( 0.167 1.481 1.225) 1.929 16.797 ( -1.030 -3.831 0.736) 4.035 16.887 ( -1.675 -3.601 -0.543) 4.009 17.022 ( -0.148 -0.619 0.113) 0.646 17.765 ( -0.414 -0.344 0.373) 0.655 17.934 ( 2.309 -0.229 -2.768) 3.612 18.089 ( 3.385 -1.441 1.025) 3.819 18.152 ( 3.181 -3.918 2.349) 5.566 21.465 ( -0.941 5.345 -0.354) 5.439 21.535 ( -1.600 5.015 0.945) 5.348 21.852 ( 4.197 -0.787 -1.330) 4.473 21.957 ( 2.802 -0.139 0.341) 2.827 27.093 ( 1.071 1.314 -0.930) 1.934 27.158 ( 2.365 -0.076 -1.199) 2.653 27.563 ( 13.133 11.265 1.069) 17.335 27.641 ( 9.238 3.577 1.078) 9.965 28.816 ( -0.584 -0.942 0.041) 1.109 28.854 ( -0.524 -1.971 -0.284) 2.059 28.976 ( 1.582 3.425 1.303) 3.991 29.027 ( 2.518 2.037 0.352) 3.258 29.871 ( -0.427 1.296 -0.978) 1.679 29.905 ( -1.191 0.795 -0.030) 1.432 30.253 ( 5.438 1.166 -1.325) 5.717 30.435 ( 5.401 -1.542 0.890) 5.687 30.553 ( -6.620 3.519 3.353) 8.213 30.653 ( -1.971 2.269 -1.515) 3.366 31.275 ( 2.382 -2.883 0.953) 3.859 31.453 ( -1.673 -8.026 1.257) 8.295 31.495 ( -1.573 6.648 0.824) 6.881 31.690 ( -0.525 3.243 1.667) 3.684 31.797 ( 0.896 -0.310 1.425) 1.712 31.934 ( -6.381 -1.317 -7.765) 10.136 32.385 ( -6.602 2.222 -3.575) 7.830 32.475 ( 0.190 5.684 4.423) 7.204 33.259 ( -7.893 -8.334 2.653) 11.781 33.365 ( -8.271 -8.797 -2.416) 12.314 33.654 ( 0.954 4.609 1.749) 5.021 33.754 ( -0.075 5.478 -0.648) 5.517 33.991 ( -7.522 -1.570 -0.265) 7.688 34.718 ( -2.405 -14.408 -3.211) 14.956 ======================= Grid point 96 (44/88) ======================= q-point: (-0.10 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( -17.592 17.198 8.234) 25.944 0.953 ( -20.007 18.098 11.298) 29.248 1.638 ( -11.610 9.823 -3.683) 15.648 1.777 ( -30.176 27.799 10.652) 42.389 2.186 ( -3.807 10.213 -20.341) 23.077 2.417 ( 4.306 -8.373 8.358) 12.590 2.633 ( 0.686 2.025 -5.749) 6.133 2.687 ( -7.441 -10.681 9.248) 15.967 2.773 ( -3.548 -0.648 -1.927) 4.089 2.928 ( -0.261 -1.972 1.211) 2.329 3.065 ( -4.668 -5.007 0.223) 6.849 3.146 ( -3.523 -3.162 0.465) 4.756 3.244 ( 1.965 -1.896 -0.162) 2.735 3.301 ( 0.142 -2.144 -1.941) 2.895 3.321 ( -1.572 1.662 -3.390) 4.090 3.332 ( -4.741 3.240 1.130) 5.853 3.469 ( -3.345 5.323 -1.573) 6.481 3.582 ( -0.141 -4.345 9.331) 10.294 3.714 ( -2.121 -3.254 2.678) 4.718 3.723 ( -4.102 -2.382 -3.272) 5.762 3.859 ( 4.712 -2.454 3.420) 6.318 3.880 ( -2.133 -1.892 2.266) 3.642 4.001 ( -1.057 -1.971 -6.275) 6.661 4.087 ( -0.989 4.868 -0.045) 4.967 4.233 ( 1.809 -3.605 0.022) 4.033 4.334 ( -1.706 2.044 -0.889) 2.806 4.370 ( 0.712 -0.532 1.765) 1.976 4.556 ( 2.920 5.285 -2.753) 6.636 4.594 ( -0.749 1.107 1.313) 1.873 4.658 ( 4.935 7.438 -7.739) 11.814 4.761 ( 1.396 -4.753 1.054) 5.064 4.933 ( -0.237 6.976 1.154) 7.075 5.022 ( -3.647 3.073 2.409) 5.343 5.082 ( -9.157 4.659 0.198) 10.276 5.251 ( -5.215 2.209 -1.199) 5.789 5.283 ( -5.600 -3.804 -2.678) 7.281 5.380 ( -4.534 -8.813 2.885) 10.322 5.566 ( -3.413 -4.957 -2.583) 6.549 5.815 ( 1.551 -11.513 2.161) 11.816 5.961 ( -1.358 -10.984 12.847) 16.957 6.083 ( 3.727 -0.080 -1.519) 4.025 6.174 ( 8.069 -6.648 -0.202) 10.457 6.267 ( 2.347 2.208 -1.483) 3.548 6.348 ( -0.088 -5.100 2.519) 5.688 6.513 ( 1.277 2.032 -3.068) 3.895 6.597 ( 1.411 5.250 -6.395) 8.393 6.766 ( 1.558 5.811 1.109) 6.118 7.188 ( 1.920 -3.222 7.683) 8.550 7.212 ( 5.586 1.594 -3.360) 6.711 7.460 ( 0.392 -0.537 2.921) 2.996 7.604 ( 1.574 3.103 0.537) 3.521 7.863 ( -4.819 -3.093 -0.105) 5.728 8.200 ( 2.435 -1.082 -1.321) 2.974 8.286 ( 2.404 -5.047 -0.371) 5.603 8.422 ( -2.313 13.092 2.824) 13.591 8.510 ( 4.537 5.651 -4.290) 8.421 8.675 ( 0.617 -4.004 -0.924) 4.155 8.802 ( 2.422 -5.617 -1.762) 6.366 8.985 ( -0.334 -5.541 -0.550) 5.578 9.102 ( -2.646 -2.215 -3.022) 4.587 9.594 ( -1.064 7.024 2.742) 7.615 9.812 ( 0.793 8.128 -4.539) 9.343 9.924 ( -0.130 0.528 -0.457) 0.710 10.151 ( 3.560 3.828 -2.007) 5.599 10.313 ( -0.437 -1.322 2.099) 2.519 10.498 ( -3.566 1.868 6.974) 8.052 10.711 ( -0.270 -4.985 -0.732) 5.045 10.761 ( -0.059 -4.381 -1.746) 4.717 10.834 ( 3.007 0.563 0.079) 3.060 10.954 ( -2.173 0.033 -2.082) 3.009 11.204 ( -1.098 -4.843 2.227) 5.443 11.291 ( -0.032 -4.506 -0.875) 4.591 12.406 ( -2.439 5.838 0.508) 6.348 12.471 ( -2.928 4.625 -2.773) 6.136 12.835 ( -0.243 -1.505 0.371) 1.569 12.901 ( 0.500 -0.649 0.018) 0.819 14.094 ( 1.800 -3.163 0.988) 3.771 14.194 ( 2.543 0.465 -0.824) 2.713 14.288 ( -0.462 -0.064 1.322) 1.402 14.347 ( 1.674 -1.311 -5.609) 5.999 14.634 ( 0.983 -6.274 7.594) 9.900 15.062 ( 4.710 -8.687 -4.333) 10.790 15.264 ( 2.671 3.486 2.344) 4.978 15.380 ( 8.918 11.515 -1.529) 14.644 15.567 ( 2.778 0.552 1.065) 3.026 15.697 ( 2.211 3.847 0.180) 4.440 15.777 ( -1.213 3.005 -1.013) 3.395 15.826 ( -0.677 3.487 1.582) 3.888 15.839 ( -0.122 1.949 -0.215) 1.965 15.927 ( -1.683 4.804 -1.155) 5.220 16.195 ( 3.963 -5.048 -1.872) 6.685 16.346 ( 5.772 0.762 4.759) 7.520 16.726 ( -6.867 -6.389 -3.152) 9.895 16.790 ( 2.996 -0.254 1.332) 3.289 16.859 ( -1.345 -1.903 0.990) 2.532 16.981 ( -3.366 -0.089 -3.106) 4.581 17.780 ( 0.377 0.606 2.867) 2.955 17.957 ( 3.187 0.953 -4.364) 5.487 18.150 ( 1.801 -1.685 1.235) 2.758 18.200 ( 0.037 -4.262 0.378) 4.279 21.472 ( 1.206 7.616 2.316) 8.052 21.525 ( -0.059 4.714 1.122) 4.846 21.921 ( 3.543 -0.195 0.083) 3.550 22.001 ( 1.749 0.613 -0.048) 1.854 27.157 ( 2.891 -1.182 7.715) 8.323 27.207 ( 2.358 -0.228 2.110) 3.172 27.768 ( 5.718 4.411 -2.084) 7.516 27.890 ( 21.473 16.348 -6.548) 27.771 28.809 ( -0.308 -0.891 0.456) 1.047 28.847 ( -0.122 -2.814 0.138) 2.820 29.023 ( 1.105 2.913 2.786) 4.179 29.105 ( 7.124 4.173 -0.618) 8.279 29.879 ( 0.181 1.936 0.368) 1.979 29.910 ( 3.343 1.926 4.079) 5.615 30.356 ( 5.187 1.756 1.067) 5.579 30.469 ( -4.404 3.451 2.417) 6.095 30.519 ( 3.123 -0.783 -0.299) 3.234 30.633 ( 0.517 2.451 -0.956) 2.681 31.278 ( -3.105 -4.180 0.414) 5.224 31.392 ( -1.607 -5.544 -0.425) 5.788 31.550 ( 3.355 1.454 3.113) 4.803 31.704 ( -0.514 1.359 0.408) 1.509 31.770 ( 0.035 2.496 -2.793) 3.746 31.855 ( 0.617 2.192 5.917) 6.340 32.161 ( -11.334 2.865 -11.959) 16.724 32.501 ( -1.903 0.687 3.525) 4.064 33.109 ( -14.836 -16.182 0.500) 21.960 33.153 ( -7.584 -11.255 0.424) 13.578 33.696 ( 1.119 7.235 2.968) 7.900 33.776 ( 2.757 4.779 0.060) 5.518 33.889 ( -3.106 3.403 -0.562) 4.641 34.520 ( -13.509 -12.439 -13.641) 22.875 ======================= Grid point 97 (45/88) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 3.925 19.473 5.849) 20.708 1.479 ( 4.926 28.545 11.036) 30.998 1.581 ( -2.163 3.093 -14.215) 14.707 2.111 ( -6.548 8.797 -10.558) 15.223 2.172 ( -2.322 15.845 11.033) 19.447 2.353 ( 1.105 -2.216 14.133) 14.349 2.530 ( 0.896 -8.584 1.993) 8.858 2.620 ( 0.340 0.372 0.300) 0.586 2.726 ( 2.302 -4.019 -0.278) 4.640 2.863 ( 1.940 -5.157 -0.173) 5.512 2.983 ( -6.488 -6.117 -5.589) 10.524 3.123 ( 3.102 -3.270 -3.430) 5.664 3.137 ( 3.132 8.818 0.615) 9.377 3.235 ( -0.238 -1.846 4.801) 5.150 3.300 ( 1.233 -2.580 0.685) 2.940 3.371 ( 0.385 -1.642 1.389) 2.185 3.489 ( 0.926 3.309 -3.901) 5.199 3.562 ( 1.526 5.161 -1.176) 5.508 3.650 ( -0.564 -0.838 -3.828) 3.959 3.678 ( -2.070 1.019 0.120) 2.311 3.782 ( -3.247 -2.725 -0.119) 4.241 3.839 ( -0.813 -1.419 2.105) 2.666 3.896 ( 0.936 -6.315 1.563) 6.572 4.107 ( -0.793 -6.863 -4.284) 8.129 4.278 ( -0.128 0.755 -3.307) 3.394 4.323 ( -0.506 3.717 -4.141) 5.587 4.389 ( 0.061 9.712 3.791) 10.426 4.508 ( 2.259 -3.206 0.641) 3.974 4.640 ( -0.227 3.399 -5.278) 6.282 4.704 ( 1.331 -3.297 -3.966) 5.326 4.893 ( 3.103 -4.651 2.233) 6.021 4.964 ( 1.887 -3.937 -0.590) 4.406 5.063 ( -0.337 -2.582 2.379) 3.527 5.116 ( 1.049 3.152 0.789) 3.414 5.143 ( -2.917 3.265 5.226) 6.817 5.162 ( 1.920 3.380 2.734) 4.753 5.401 ( -4.005 5.462 4.037) 7.885 5.505 ( 1.322 3.386 -0.260) 3.644 5.676 ( -2.420 -8.632 5.455) 10.494 5.831 ( -2.024 -2.063 1.374) 3.200 5.880 ( -1.036 -9.071 2.038) 9.355 6.155 ( 1.450 -7.477 -6.134) 9.779 6.247 ( -1.575 -3.184 0.160) 3.556 6.288 ( 3.089 -3.827 -0.386) 4.934 6.593 ( -2.658 5.595 0.126) 6.195 6.729 ( 3.079 0.813 -0.702) 3.261 6.889 ( 1.303 7.264 -4.168) 8.476 7.154 ( 2.515 -2.674 -6.469) 7.438 7.398 ( 0.378 7.262 7.479) 10.431 7.578 ( -1.461 7.917 0.870) 8.098 7.696 ( -3.878 4.213 1.236) 5.858 7.777 ( 1.467 2.150 -1.989) 3.276 8.145 ( 2.461 -6.676 0.996) 7.184 8.197 ( -2.626 -5.622 0.201) 6.208 8.422 ( 0.644 -8.172 -1.599) 8.351 8.500 ( -1.894 -4.553 -5.156) 7.134 8.677 ( -1.114 1.975 3.654) 4.301 8.735 ( -1.518 -3.747 5.814) 7.081 8.864 ( 1.005 -3.888 -3.755) 5.498 8.964 ( 2.026 -3.954 -3.799) 5.846 9.804 ( -1.458 11.009 3.738) 11.718 9.943 ( 3.270 1.521 3.478) 5.010 10.057 ( -0.584 10.800 -2.781) 11.167 10.247 ( 3.561 2.905 -6.555) 8.005 10.355 ( 3.264 1.064 5.547) 6.523 10.487 ( -6.712 -0.453 2.753) 7.269 10.599 ( -1.314 -0.838 2.998) 3.379 10.699 ( 1.555 -5.285 -1.652) 5.752 10.798 ( -0.356 -2.798 2.018) 3.468 10.922 ( 1.427 -0.924 -4.908) 5.194 11.066 ( -2.230 -5.888 2.072) 6.628 11.158 ( -0.553 -6.297 -2.317) 6.732 12.545 ( 0.215 8.233 0.034) 8.235 12.567 ( 0.621 6.125 -0.780) 6.206 12.801 ( 0.216 -2.699 1.501) 3.096 12.856 ( -0.246 -3.492 -0.791) 3.589 14.071 ( 0.002 -0.639 1.759) 1.871 14.179 ( -0.501 -3.173 -2.339) 3.974 14.291 ( -0.054 1.617 0.519) 1.699 14.341 ( 1.604 -0.336 -2.310) 2.833 14.594 ( -0.250 -1.897 4.182) 4.599 14.802 ( -1.211 -10.766 -4.769) 11.837 15.380 ( -0.994 2.235 1.773) 3.021 15.440 ( 0.503 -1.756 -0.445) 1.880 15.747 ( -0.613 4.101 -0.228) 4.153 15.789 ( 1.576 6.004 -1.838) 6.474 15.854 ( 0.435 2.617 -1.334) 2.970 15.869 ( 0.064 2.082 -0.972) 2.299 15.889 ( 0.003 0.525 1.154) 1.268 15.969 ( 0.844 0.125 -2.213) 2.372 16.177 ( 3.480 -1.759 -0.596) 3.945 16.226 ( -6.567 -2.986 -1.320) 7.333 16.698 ( 2.936 1.014 2.384) 3.916 16.767 ( -2.037 -2.008 0.696) 2.943 16.825 ( 0.119 0.303 -1.248) 1.289 16.917 ( 1.085 -1.765 -3.710) 4.250 17.835 ( -1.301 3.575 2.261) 4.426 17.991 ( 2.165 -0.391 -4.401) 4.920 18.090 ( -2.091 -2.688 1.501) 3.721 18.138 ( -0.905 -2.385 -0.082) 2.552 21.622 ( -0.801 4.966 2.091) 5.448 21.664 ( 1.092 4.677 2.031) 5.215 21.960 ( 0.265 -0.064 1.022) 1.057 22.020 ( -0.536 -0.581 -1.049) 1.314 27.233 ( 0.764 0.009 6.252) 6.298 27.258 ( 0.836 -0.737 4.745) 4.874 27.910 ( -0.811 5.963 -4.443) 7.481 28.097 ( -1.050 -1.652 -12.183) 12.339 28.795 ( 0.200 -0.762 0.466) 0.915 28.804 ( 0.293 -1.416 0.331) 1.484 29.109 ( -0.350 3.250 0.775) 3.359 29.195 ( 0.111 -0.637 -3.614) 3.671 29.949 ( 0.980 2.118 3.478) 4.188 30.019 ( 1.103 -1.412 2.328) 2.938 30.475 ( -0.122 2.636 1.911) 3.258 30.523 ( -0.371 2.775 0.260) 2.812 30.569 ( 0.623 1.714 3.190) 3.675 30.661 ( -1.354 0.113 1.426) 1.970 31.165 ( 0.298 -2.656 -0.362) 2.697 31.229 ( -0.582 -5.448 -2.426) 5.992 31.619 ( 1.570 1.162 -0.560) 2.032 31.661 ( 0.901 -0.776 0.121) 1.195 31.734 ( -3.656 0.714 -3.933) 5.417 31.780 ( -5.138 -1.213 -4.898) 7.201 32.342 ( 11.527 1.542 2.977) 12.005 32.430 ( 2.835 -1.816 1.735) 3.788 32.695 ( -6.795 -1.153 5.871) 9.053 32.872 ( -0.255 -8.591 -1.835) 8.789 33.844 ( -2.221 3.650 3.274) 5.383 33.875 ( 0.460 2.094 4.381) 4.877 33.990 ( 0.420 6.042 -2.326) 6.488 34.202 ( 0.383 -2.354 -8.444) 8.775 ======================= Grid point 98 (46/88) ======================= q-point: ( 0.10 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 13.698 9.986 7.327) 18.468 1.486 ( 3.477 5.510 -8.523) 10.728 1.723 ( 9.335 17.949 9.748) 22.457 1.936 ( -2.343 11.797 -9.880) 15.566 2.337 ( 9.528 8.645 5.463) 13.977 2.510 ( 4.348 -4.125 0.839) 6.052 2.570 ( 5.405 12.239 7.248) 15.217 2.708 ( 0.615 -8.768 -4.924) 10.074 2.713 ( 4.354 -8.708 3.965) 10.512 2.921 ( 3.224 -4.635 1.787) 5.922 2.980 ( 8.004 -9.239 1.288) 12.292 3.169 ( 4.427 2.771 -5.557) 7.626 3.188 ( 4.399 -2.402 0.258) 5.019 3.284 ( 0.817 0.749 3.979) 4.131 3.365 ( 3.948 2.955 -0.665) 4.976 3.447 ( 3.918 3.081 0.908) 5.066 3.456 ( -0.243 0.969 -1.488) 1.792 3.571 ( 2.009 5.907 -8.503) 10.547 3.634 ( -1.742 -3.261 1.718) 4.076 3.668 ( 4.380 2.685 -0.503) 5.162 3.709 ( -2.113 -0.059 -0.257) 2.129 3.854 ( 1.061 -1.545 3.672) 4.123 3.985 ( 4.932 -5.123 2.547) 7.553 4.055 ( 0.501 -8.229 -5.726) 10.038 4.212 ( -1.914 1.441 -5.880) 6.349 4.334 ( 1.576 0.540 1.152) 2.025 4.400 ( -1.130 9.688 3.085) 10.230 4.568 ( 3.416 -3.767 -0.009) 5.086 4.594 ( 0.159 6.077 -5.188) 7.992 4.693 ( 1.011 1.106 -3.193) 3.528 4.878 ( -0.195 -2.204 -2.436) 3.291 5.007 ( -0.926 -2.497 -1.210) 2.925 5.113 ( 3.413 3.723 0.389) 5.065 5.154 ( 3.650 3.150 3.623) 6.031 5.227 ( 5.288 -1.085 -0.444) 5.417 5.331 ( 9.858 -5.646 6.557) 13.118 5.354 ( -3.561 2.283 4.298) 6.030 5.537 ( 2.603 4.181 -0.071) 4.925 5.628 ( -7.033 -10.459 6.545) 14.202 5.771 ( -2.307 -4.860 -4.341) 6.912 5.888 ( -1.987 -2.703 6.070) 6.935 6.064 ( -5.587 -8.835 -5.301) 11.721 6.236 ( -0.220 -3.785 0.795) 3.874 6.307 ( -0.569 -4.702 -0.924) 4.826 6.545 ( -1.720 5.241 -0.580) 5.547 6.755 ( -1.762 -4.566 2.726) 5.602 6.880 ( 1.910 9.112 -6.848) 11.557 7.090 ( -3.414 4.637 -4.553) 7.341 7.394 ( -5.658 5.558 3.151) 8.534 7.526 ( -2.567 8.411 -0.233) 8.797 7.662 ( -0.842 2.586 2.831) 3.925 7.840 ( 3.790 2.674 -0.032) 4.638 8.100 ( -5.084 -3.862 -0.362) 6.395 8.215 ( 2.313 -9.411 2.714) 10.063 8.427 ( 0.012 -6.963 -0.301) 6.970 8.435 ( -0.739 -4.798 -5.011) 6.977 8.661 ( -3.309 1.488 2.493) 4.402 8.739 ( -2.314 -2.965 5.656) 6.793 8.843 ( -0.243 -3.606 -2.531) 4.412 9.005 ( 4.978 -4.210 -4.359) 7.843 9.786 ( -3.186 11.907 3.083) 12.706 9.984 ( -0.200 11.171 -4.740) 12.137 10.075 ( 2.422 -0.430 5.098) 5.660 10.258 ( 3.894 3.736 -8.873) 10.385 10.382 ( -5.394 -0.526 0.948) 5.502 10.488 ( 4.467 -0.616 6.208) 7.673 10.592 ( -1.560 -1.536 2.869) 3.609 10.708 ( 0.623 -4.363 0.021) 4.407 10.808 ( -0.450 -0.696 2.063) 2.223 10.893 ( -0.093 0.796 -6.025) 6.078 11.047 ( -1.785 -7.992 3.559) 8.929 11.139 ( 0.513 -7.129 -1.638) 7.333 12.547 ( 0.672 7.592 -0.437) 7.635 12.607 ( 3.560 5.793 -0.656) 6.831 12.809 ( -0.798 -2.959 0.684) 3.140 12.855 ( 0.814 -2.886 -0.249) 3.009 14.078 ( -0.942 -1.075 2.277) 2.688 14.138 ( -1.761 -2.226 -2.417) 3.728 14.269 ( -2.270 2.063 -0.245) 3.077 14.334 ( -0.223 -0.711 -1.953) 2.091 14.632 ( 0.186 -3.658 5.364) 6.495 14.736 ( -1.138 -7.451 -5.274) 9.199 15.339 ( -3.774 2.452 1.280) 4.679 15.440 ( -0.855 -2.635 0.039) 2.771 15.683 ( -4.880 8.711 -1.283) 10.067 15.768 ( -4.338 3.842 -0.337) 5.804 15.840 ( 1.941 2.987 -0.414) 3.586 15.873 ( -0.243 1.245 0.064) 1.270 15.893 ( -0.123 0.076 0.398) 0.424 15.976 ( 1.385 0.175 -2.902) 3.220 16.127 ( -1.902 3.601 0.410) 4.093 16.251 ( 3.004 -4.519 1.518) 5.635 16.721 ( -0.971 2.128 -1.743) 2.917 16.762 ( 0.831 0.088 1.392) 1.623 16.839 ( 1.510 -2.238 1.826) 3.259 16.925 ( 2.296 -3.479 -4.141) 5.875 17.813 ( -2.278 3.112 2.572) 4.636 17.971 ( -0.317 -0.076 -4.668) 4.680 18.056 ( -3.442 -3.378 2.790) 5.571 18.108 ( -2.085 -2.640 0.469) 3.397 21.619 ( -1.257 6.196 1.982) 6.625 21.687 ( 0.284 4.265 0.770) 4.343 21.944 ( -2.854 -1.215 1.600) 3.490 21.964 ( -3.831 -0.492 -1.732) 4.233 27.273 ( -1.227 -0.362 4.284) 4.471 27.291 ( -1.066 -0.882 3.715) 3.964 27.792 ( -8.503 4.598 -2.008) 9.872 27.872 ( -11.742 2.009 -8.545) 14.660 28.805 ( 0.555 -0.734 0.329) 0.977 28.818 ( 0.909 -1.222 -0.004) 1.523 29.086 ( -2.516 2.653 0.835) 3.751 29.128 ( -3.711 1.159 -1.693) 4.240 29.976 ( -0.962 1.627 2.203) 2.903 30.006 ( -2.410 0.190 0.465) 2.462 30.434 ( -4.968 1.772 1.864) 5.594 30.472 ( -5.257 0.787 -1.060) 5.420 30.589 ( -0.239 4.002 3.321) 5.205 30.663 ( 1.305 1.517 0.209) 2.012 31.202 ( 3.140 -3.972 0.219) 5.068 31.222 ( 1.230 -4.962 -1.598) 5.356 31.575 ( -1.999 2.479 -0.164) 3.189 31.668 ( -2.254 -1.876 -5.419) 6.161 31.723 ( 3.918 1.733 2.287) 4.857 31.837 ( 10.779 -3.069 2.517) 11.486 32.378 ( 1.108 7.180 -4.515) 8.554 32.642 ( 6.126 3.504 -1.868) 7.301 32.803 ( 12.911 -12.530 4.498) 18.545 32.927 ( 8.007 -8.689 0.695) 11.836 33.809 ( -3.760 5.051 2.766) 6.878 33.913 ( -0.260 1.184 5.603) 5.732 33.969 ( 0.058 4.841 -2.528) 5.462 34.207 ( 6.128 -3.598 -7.425) 10.278 ======================= Grid point 99 (47/88) ======================= q-point: ( 0.20 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 11.236 5.216 -2.418) 12.621 1.728 ( 10.986 3.084 1.278) 11.482 1.927 ( 12.561 10.349 -3.247) 16.596 1.992 ( 8.901 13.069 8.026) 17.733 2.486 ( 0.371 -1.288 -7.826) 7.940 2.510 ( 7.520 -0.935 -1.842) 7.799 2.669 ( 2.640 -3.726 -2.004) 4.987 2.785 ( 3.819 -11.580 -2.330) 12.415 2.864 ( 6.353 3.123 8.081) 10.743 3.051 ( 5.977 -0.659 1.164) 6.125 3.148 ( 4.790 -5.488 -1.330) 7.404 3.231 ( 3.847 0.835 6.614) 7.697 3.276 ( 3.281 -0.856 -3.655) 4.986 3.309 ( -2.932 -4.428 -0.504) 5.335 3.371 ( 4.473 4.631 4.546) 7.882 3.481 ( 0.639 4.924 -0.875) 5.041 3.502 ( 2.807 0.086 -3.512) 4.497 3.593 ( -1.568 -2.096 2.291) 3.479 3.641 ( 10.539 7.410 -3.147) 13.262 3.682 ( 1.196 -0.912 -0.793) 1.700 3.842 ( 9.257 9.373 1.499) 13.258 3.909 ( 1.143 -4.564 2.920) 5.538 4.038 ( 4.235 -2.957 -4.770) 7.031 4.124 ( 6.007 -0.438 0.511) 6.044 4.141 ( 0.332 2.837 -4.690) 5.492 4.406 ( 4.927 -2.083 2.535) 5.919 4.421 ( 2.335 7.180 1.222) 7.649 4.532 ( -3.719 -1.046 -2.252) 4.472 4.640 ( 4.388 3.451 -1.868) 5.886 4.716 ( 3.388 5.536 -1.937) 6.773 4.903 ( 5.317 1.284 -3.526) 6.508 4.975 ( -0.184 1.392 -1.264) 1.889 5.142 ( -1.117 4.597 3.016) 5.611 5.254 ( 1.842 -0.362 0.827) 2.051 5.281 ( 1.353 -0.748 -1.761) 2.343 5.370 ( 3.427 -0.070 2.421) 4.196 5.497 ( 0.341 -6.266 7.348) 9.663 5.566 ( -2.400 -12.070 4.333) 13.047 5.604 ( 3.781 -5.014 0.126) 6.281 5.692 ( -1.175 -1.377 -4.921) 5.244 5.877 ( -4.601 -0.630 2.334) 5.198 5.943 ( -1.687 -7.594 -0.402) 7.789 6.227 ( -1.409 -6.131 1.065) 6.380 6.267 ( -2.239 -4.213 -2.029) 5.185 6.528 ( 0.109 3.436 0.307) 3.451 6.703 ( -5.114 -4.602 1.717) 7.091 6.827 ( -3.039 9.110 -3.373) 10.179 7.016 ( 0.459 5.897 -6.211) 8.577 7.304 ( -3.830 6.956 0.429) 7.953 7.478 ( -2.269 6.269 -1.008) 6.743 7.673 ( -1.623 2.531 3.707) 4.773 7.869 ( -1.238 0.734 1.663) 2.199 8.059 ( -0.150 -0.791 1.632) 1.820 8.255 ( 0.136 -9.563 1.579) 9.693 8.382 ( -1.312 -2.357 -4.892) 5.587 8.403 ( -2.769 -5.527 1.063) 6.272 8.613 ( -3.366 0.074 3.104) 4.580 8.743 ( -1.403 -0.294 4.073) 4.318 8.824 ( -0.094 -4.890 -1.208) 5.038 9.057 ( 3.618 -5.556 -4.450) 7.985 9.744 ( -3.025 12.065 2.537) 12.695 9.949 ( -0.008 11.009 -2.617) 11.316 10.118 ( -0.384 -0.285 -0.265) 0.547 10.253 ( 1.530 0.198 -6.042) 6.236 10.312 ( -2.022 2.626 0.128) 3.317 10.525 ( -2.774 -2.727 1.318) 4.107 10.622 ( 0.621 -0.260 1.929) 2.043 10.755 ( 2.955 -3.084 4.723) 6.368 10.804 ( -1.021 -0.914 -0.533) 1.471 10.839 ( -0.321 0.984 -4.820) 4.930 11.056 ( -1.081 -9.001 5.096) 10.400 11.154 ( 1.797 -7.367 -0.794) 7.625 12.566 ( 1.689 6.423 -0.482) 6.659 12.676 ( 4.155 4.949 -0.908) 6.525 12.788 ( -1.383 -2.223 0.069) 2.619 12.873 ( 0.820 -2.157 0.109) 2.310 14.071 ( -1.598 -1.567 2.188) 3.130 14.081 ( -2.353 -1.465 -1.666) 3.234 14.221 ( -1.802 2.043 -1.010) 2.906 14.319 ( 0.259 -2.153 -1.164) 2.461 14.681 ( 0.730 -3.762 5.172) 6.437 14.694 ( 0.815 -3.916 -4.094) 5.724 15.270 ( -4.428 3.165 0.664) 5.483 15.395 ( -4.471 -1.472 0.163) 4.710 15.586 ( -3.496 8.379 0.173) 9.081 15.700 ( -3.061 2.726 0.726) 4.163 15.861 ( -0.620 1.712 -0.019) 1.821 15.873 ( 1.541 2.663 -0.276) 3.089 15.897 ( 0.491 -0.420 0.170) 0.668 15.981 ( 1.135 -0.924 -1.210) 1.899 16.130 ( 0.897 4.986 0.299) 5.075 16.288 ( -0.278 -3.093 0.795) 3.206 16.722 ( 2.134 1.818 -1.494) 3.176 16.776 ( 0.413 0.983 1.009) 1.468 16.878 ( 0.760 -2.561 0.713) 2.765 16.931 ( 1.142 -5.012 -2.065) 5.540 17.803 ( -0.740 1.075 1.978) 2.369 17.915 ( -1.788 -0.736 -3.631) 4.113 18.006 ( -4.104 -2.764 2.803) 5.687 18.067 ( -3.097 -2.932 1.162) 4.420 21.606 ( -1.159 6.426 0.886) 6.589 21.692 ( 0.139 4.461 -0.092) 4.464 21.862 ( -4.932 -1.210 -1.580) 5.318 21.897 ( -3.318 -1.740 1.279) 3.959 27.245 ( -2.916 -0.021 -1.189) 3.149 27.261 ( -3.408 -0.638 -1.672) 3.849 27.596 ( -11.293 3.985 2.090) 12.156 27.610 ( -11.211 3.363 0.539) 11.717 28.820 ( 0.864 -0.540 -0.200) 1.039 28.834 ( 0.993 -1.080 -0.595) 1.583 29.037 ( -3.041 2.066 0.711) 3.744 29.055 ( -3.265 1.408 0.004) 3.555 29.955 ( -2.104 1.461 -1.281) 2.864 29.966 ( -0.640 0.891 -0.315) 1.142 30.320 ( -7.154 0.968 -1.707) 7.418 30.359 ( -6.104 -0.988 2.125) 6.538 30.633 ( 2.605 4.993 2.015) 5.982 30.718 ( 4.546 1.965 0.195) 4.956 31.219 ( -0.791 -3.573 0.188) 3.664 31.272 ( 2.941 -6.227 0.357) 6.896 31.552 ( -1.037 1.873 0.573) 2.217 31.633 ( 1.626 -1.790 -1.729) 2.972 31.805 ( 2.280 5.101 1.762) 5.859 32.037 ( 5.754 -5.182 0.785) 7.783 32.400 ( 6.686 11.861 -4.567) 14.361 32.741 ( 5.718 7.214 -1.108) 9.272 32.973 ( 6.359 -11.620 0.912) 13.277 33.174 ( 12.525 -11.117 0.655) 16.760 33.758 ( -3.265 5.969 2.115) 7.125 33.950 ( 1.886 8.318 -1.656) 8.688 33.986 ( 2.053 -6.403 4.193) 7.924 34.295 ( 7.438 -7.157 -4.042) 11.086 ======================= Grid point 100 (48/88) ======================= q-point: ( 0.30 0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 14.888 6.982 3.609) 16.835 1.919 ( 11.993 3.248 -3.497) 12.907 2.190 ( 12.545 2.543 0.480) 12.809 2.235 ( 12.087 8.076 1.888) 14.659 2.428 ( -0.339 -2.930 -5.700) 6.418 2.637 ( 7.703 -0.556 -1.850) 7.942 2.717 ( 4.977 -5.569 -2.590) 7.905 2.843 ( 5.340 -7.104 -2.624) 9.267 2.987 ( 0.925 4.568 4.678) 6.603 3.095 ( -1.140 -1.081 -1.417) 2.115 3.150 ( 0.043 -2.585 1.756) 3.125 3.203 ( -2.048 -2.374 -3.206) 4.485 3.260 ( -3.727 3.621 -0.118) 5.197 3.360 ( 2.106 -1.026 2.166) 3.190 3.437 ( 0.305 0.564 2.474) 2.555 3.458 ( -2.472 2.803 -0.704) 3.803 3.523 ( -3.594 4.016 3.013) 6.174 3.622 ( 2.738 -1.543 1.452) 3.462 3.710 ( 2.750 -2.604 -0.260) 3.797 3.814 ( -7.958 -4.098 2.079) 9.189 3.885 ( 12.586 1.871 -5.282) 13.778 4.033 ( 2.665 -1.008 0.183) 2.855 4.151 ( 12.372 4.340 1.052) 13.153 4.206 ( 7.747 2.133 -3.152) 8.632 4.239 ( 4.952 3.386 0.797) 6.052 4.438 ( -0.646 0.237 2.268) 2.370 4.452 ( -0.231 1.826 2.153) 2.832 4.589 ( 9.000 0.090 -3.415) 9.626 4.688 ( 1.618 6.321 -1.856) 6.784 4.741 ( 0.637 10.292 -1.966) 10.497 4.950 ( 1.312 3.480 -0.413) 3.742 5.062 ( 8.227 6.936 -1.090) 10.815 5.129 ( -2.637 -3.063 1.412) 4.281 5.210 ( -2.871 -0.450 2.909) 4.112 5.300 ( 2.065 -1.692 -2.760) 3.840 5.455 ( 0.758 2.250 -3.579) 4.295 5.533 ( -0.173 -4.890 2.988) 5.733 5.579 ( 0.742 -5.601 9.229) 10.821 5.626 ( 0.686 -12.580 1.169) 12.653 5.687 ( 2.796 -7.675 -3.041) 8.716 5.857 ( 4.453 0.902 -3.824) 5.939 5.937 ( -2.700 -2.691 4.517) 5.911 6.198 ( -2.572 -4.521 -1.194) 5.336 6.227 ( 1.708 -7.287 -2.500) 7.891 6.551 ( 1.176 1.450 1.896) 2.661 6.619 ( -4.144 -1.485 0.908) 4.494 6.765 ( -0.782 8.538 -1.517) 8.707 6.987 ( 0.626 1.914 -5.141) 5.521 7.270 ( -0.175 7.542 -0.277) 7.549 7.426 ( -2.408 7.037 -0.661) 7.467 7.650 ( -3.242 2.760 2.725) 5.055 7.847 ( -2.403 -1.165 2.015) 3.345 8.072 ( -0.303 0.330 1.208) 1.289 8.248 ( -1.478 -8.065 -0.356) 8.207 8.313 ( -1.937 -0.490 -3.770) 4.267 8.346 ( -4.327 -4.252 1.777) 6.322 8.590 ( -2.006 -0.213 3.650) 4.170 8.749 ( -0.519 0.738 2.532) 2.688 8.823 ( 0.155 -5.527 0.461) 5.548 9.060 ( 0.411 -5.525 -4.882) 7.384 9.722 ( -2.109 11.689 3.899) 12.501 9.945 ( 0.916 9.741 -0.712) 9.810 10.076 ( -1.393 -0.534 -4.386) 4.633 10.226 ( -0.357 -0.559 -3.219) 3.286 10.304 ( 0.276 3.453 1.635) 3.831 10.470 ( -3.368 -3.383 1.161) 4.913 10.617 ( -1.392 1.428 0.716) 2.119 10.760 ( -0.888 0.573 -3.792) 3.937 10.815 ( 0.531 0.154 -3.188) 3.235 10.851 ( 2.062 -4.970 4.356) 6.922 11.073 ( -1.275 -8.912 4.584) 10.103 11.183 ( 1.734 -7.778 -0.970) 8.027 12.601 ( 2.252 4.953 -0.212) 5.445 12.743 ( 3.207 2.240 -0.624) 3.961 12.764 ( -0.964 0.424 0.173) 1.067 12.883 ( 0.244 -1.105 -0.041) 1.133 14.033 ( -1.625 -1.016 -0.596) 2.007 14.056 ( -1.407 -1.784 1.301) 2.618 14.195 ( -0.342 1.300 -0.523) 1.442 14.325 ( 0.952 -3.702 -1.022) 3.957 14.708 ( 3.398 -1.190 -2.390) 4.321 14.741 ( 1.799 -2.552 4.367) 5.368 15.178 ( -5.575 3.182 -0.025) 6.420 15.276 ( -7.563 0.695 -0.439) 7.608 15.560 ( -0.122 4.559 0.173) 4.564 15.666 ( -1.684 0.953 1.473) 2.431 15.847 ( -0.850 3.664 0.275) 3.771 15.903 ( 1.774 2.217 -0.449) 2.875 15.916 ( 1.347 -0.522 0.257) 1.467 15.998 ( 1.143 -1.505 -0.424) 1.937 16.150 ( 0.976 4.640 0.267) 4.749 16.265 ( -1.576 -0.399 -0.943) 1.880 16.752 ( 1.735 -0.546 -0.860) 2.012 16.804 ( 1.557 1.239 1.103) 2.275 16.872 ( -0.346 -2.496 -1.929) 3.173 16.941 ( 0.009 -4.354 1.025) 4.473 17.804 ( -0.404 0.148 0.098) 0.441 17.865 ( -1.010 -0.933 -1.688) 2.177 17.949 ( -3.858 -2.380 2.234) 5.054 18.012 ( -3.447 -3.422 0.862) 4.933 21.595 ( -0.205 5.140 -0.140) 5.146 21.696 ( 0.255 4.749 0.045) 4.756 21.767 ( -3.545 -1.915 -1.619) 4.342 21.846 ( -3.133 -1.608 1.239) 3.733 27.152 ( -4.265 0.747 -4.447) 6.207 27.158 ( -3.674 0.386 -3.549) 5.123 27.437 ( -8.074 3.267 3.790) 9.499 27.463 ( -7.291 1.621 4.313) 8.625 28.835 ( 1.130 -0.351 -0.665) 1.358 28.846 ( 0.962 -0.842 -0.849) 1.535 28.991 ( -2.395 1.508 0.868) 2.960 29.002 ( -2.556 1.106 0.381) 2.811 29.914 ( -0.728 1.420 -1.468) 2.168 29.961 ( 0.640 -0.562 -1.446) 1.678 30.180 ( -5.957 1.492 -0.965) 6.216 30.264 ( -5.790 -2.290 1.878) 6.503 30.714 ( 4.478 4.949 1.634) 6.871 30.830 ( 6.808 0.894 0.337) 6.875 31.184 ( -3.127 -1.159 0.201) 3.341 31.296 ( -0.995 -5.071 -0.028) 5.168 31.568 ( 2.104 1.922 1.973) 3.466 31.677 ( 2.238 -3.002 1.678) 4.103 31.825 ( -0.404 5.917 -0.449) 5.947 32.039 ( -2.241 -1.699 -4.199) 5.054 32.539 ( 7.508 10.381 0.316) 12.816 32.829 ( 5.604 8.443 -3.892) 10.856 33.097 ( 4.857 -9.479 3.847) 11.325 33.354 ( 6.565 -11.000 -0.381) 12.816 33.730 ( -0.804 6.180 1.014) 6.314 33.973 ( 3.022 4.863 -4.155) 7.074 34.088 ( 4.081 -6.155 5.702) 9.330 34.402 ( 5.858 -8.653 -1.964) 10.632 ======================= Grid point 101 (49/88) ======================= q-point: ( 0.40 0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 10.704 2.256 -2.245) 11.167 2.138 ( 9.685 4.893 5.928) 12.364 2.331 ( 0.834 -3.767 -3.796) 5.413 2.383 ( 8.774 -1.053 -0.982) 8.891 2.530 ( 10.508 9.075 2.531) 14.114 2.725 ( 6.511 0.710 -5.859) 8.788 2.825 ( 1.662 -0.771 1.159) 2.168 2.931 ( 5.081 -3.416 -0.650) 6.157 3.000 ( 1.297 -0.075 3.982) 4.189 3.037 ( -4.745 1.733 3.043) 5.897 3.118 ( -6.637 -0.442 -1.386) 6.795 3.203 ( 2.370 1.308 -0.370) 2.732 3.243 ( 5.101 -5.777 -0.518) 7.724 3.323 ( -7.581 3.561 3.169) 8.955 3.377 ( -5.145 1.299 -1.015) 5.403 3.448 ( -1.655 6.627 1.224) 6.940 3.512 ( 2.223 -2.097 0.284) 3.069 3.617 ( -5.252 -4.939 0.457) 7.224 3.686 ( -0.096 1.814 -4.078) 4.465 3.773 ( 2.505 -3.394 -1.135) 4.369 3.992 ( 2.928 1.593 0.300) 3.347 4.089 ( 3.653 -3.002 0.429) 4.748 4.198 ( -7.884 -3.735 4.924) 10.018 4.293 ( 3.146 -0.304 0.434) 3.190 4.345 ( 3.434 5.987 -2.298) 7.274 4.514 ( 3.971 5.049 1.340) 6.562 4.536 ( 3.962 4.454 1.963) 6.276 4.632 ( 1.322 -0.776 -1.043) 1.854 4.712 ( 2.195 8.695 -1.405) 9.077 4.763 ( 5.153 2.285 -3.664) 6.724 4.933 ( -3.976 3.677 1.607) 5.649 5.026 ( -4.564 -8.297 -0.834) 9.506 5.148 ( 0.438 7.191 -4.712) 8.609 5.250 ( 2.718 -0.805 -0.005) 2.835 5.355 ( 3.964 -0.353 0.830) 4.065 5.428 ( 2.199 1.151 -4.009) 4.716 5.496 ( -2.529 -3.699 2.673) 5.218 5.665 ( -0.554 -1.481 6.523) 6.712 5.721 ( 2.505 -9.101 -0.577) 9.457 5.771 ( 8.957 -5.862 1.525) 10.813 5.907 ( -0.201 -2.904 -1.802) 3.424 5.925 ( 2.657 1.296 0.911) 3.093 6.165 ( 0.778 -3.662 -1.799) 4.153 6.242 ( 0.852 -7.722 -1.738) 7.961 6.569 ( -0.766 1.506 0.600) 1.793 6.594 ( -0.005 1.007 2.355) 2.561 6.771 ( 1.655 6.719 0.049) 6.920 6.959 ( 0.098 0.144 -3.618) 3.622 7.282 ( 1.360 6.808 -0.053) 6.943 7.381 ( -1.993 7.016 -0.350) 7.302 7.612 ( -2.495 4.122 2.831) 5.589 7.811 ( -2.293 -0.985 0.533) 2.552 8.062 ( -1.089 -0.382 -0.013) 1.154 8.192 ( -2.525 -6.117 -3.543) 7.507 8.268 ( -0.212 -1.960 -2.111) 2.888 8.279 ( -3.749 -4.287 1.448) 5.876 8.598 ( -0.485 1.115 4.841) 4.991 8.757 ( -2.164 -2.621 4.830) 5.906 8.835 ( 1.910 -2.178 -1.800) 3.410 9.008 ( -1.372 -4.262 -4.857) 6.606 9.717 ( -2.035 10.455 4.417) 11.531 9.967 ( 1.227 8.640 0.807) 8.764 10.015 ( -0.544 -1.059 -5.922) 6.040 10.187 ( -0.931 1.534 -3.692) 4.105 10.350 ( 1.452 2.173 5.629) 6.206 10.437 ( -1.503 -3.694 3.116) 5.061 10.598 ( -1.107 1.906 0.879) 2.373 10.731 ( 0.637 0.801 -2.790) 2.972 10.792 ( 0.052 -0.785 -4.298) 4.369 10.884 ( -0.571 -4.101 -0.161) 4.143 11.077 ( -1.519 -9.411 3.408) 10.124 11.198 ( 1.027 -8.484 -1.818) 8.737 12.643 ( 2.251 3.242 -0.069) 3.948 12.731 ( -1.866 -0.565 0.291) 1.971 12.808 ( 3.032 3.202 -0.210) 4.415 12.881 ( -0.472 0.217 0.113) 0.532 14.011 ( -0.730 -0.817 0.269) 1.128 14.042 ( -0.635 -1.628 0.411) 1.795 14.195 ( 0.245 0.460 0.572) 0.774 14.331 ( 0.691 -4.616 -1.706) 4.970 14.782 ( 5.493 0.533 -0.806) 5.577 14.811 ( 2.043 -0.319 3.349) 3.935 15.072 ( -5.107 1.794 -0.050) 5.413 15.128 ( -7.008 0.557 -0.893) 7.087 15.566 ( 0.470 3.090 0.061) 3.126 15.647 ( -1.270 0.013 0.216) 1.289 15.837 ( -0.555 5.226 0.987) 5.347 15.926 ( 1.077 1.914 -0.518) 2.256 15.948 ( 1.608 -0.406 -0.070) 1.660 16.010 ( 0.364 -1.631 -0.583) 1.770 16.170 ( 0.818 3.730 0.438) 3.844 16.228 ( -1.099 0.774 -1.434) 1.965 16.778 ( 1.403 -1.383 0.377) 2.005 16.836 ( 0.915 -0.969 0.296) 1.366 16.857 ( 0.183 -0.536 -0.807) 0.986 16.938 ( -1.086 -2.959 0.606) 3.210 17.791 ( -0.218 0.713 -0.694) 1.019 17.850 ( -0.220 -1.754 -0.551) 1.851 17.903 ( -2.412 -2.191 1.508) 3.591 17.957 ( -2.502 -3.856 0.080) 4.597 21.601 ( 1.048 3.240 -0.278) 3.417 21.680 ( -2.321 2.520 -0.037) 3.426 21.730 ( 0.998 -0.284 -0.815) 1.320 21.797 ( -2.831 -0.578 0.657) 2.963 27.077 ( -0.994 1.049 -0.587) 1.560 27.086 ( -1.557 0.698 -0.784) 1.878 27.334 ( -4.891 2.365 0.342) 5.444 27.371 ( -5.085 0.474 1.032) 5.210 28.852 ( 1.316 -0.156 -0.710) 1.504 28.859 ( 0.969 -0.440 -0.494) 1.173 28.960 ( -1.698 0.917 0.886) 2.123 28.963 ( -1.859 0.931 0.224) 2.091 29.910 ( 0.882 0.794 0.092) 1.190 29.965 ( 1.001 -1.650 -1.253) 2.301 30.094 ( -2.732 1.537 -0.150) 3.138 30.173 ( -4.922 -2.151 0.767) 5.426 30.822 ( 5.381 4.121 1.758) 7.002 30.960 ( 5.611 -1.270 0.899) 5.823 31.114 ( -3.279 2.293 -0.794) 4.079 31.234 ( -4.647 -1.362 -1.616) 5.105 31.640 ( 1.756 0.945 3.713) 4.214 31.725 ( 1.347 -2.613 2.053) 3.586 31.811 ( 0.678 3.042 -1.551) 3.482 31.946 ( -3.553 -1.199 -3.273) 4.977 32.644 ( 2.945 12.550 1.347) 12.961 32.885 ( 4.099 8.251 -6.094) 11.046 33.207 ( 2.681 -8.474 5.411) 10.406 33.423 ( 1.698 -11.364 -0.742) 11.514 33.744 ( 1.120 5.915 1.098) 6.119 33.988 ( 2.461 2.611 -6.094) 7.071 34.205 ( 2.345 -5.255 7.201) 9.218 34.473 ( 3.485 -8.360 -2.614) 9.427 ======================= Grid point 102 (50/88) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( -5.553 4.357 2.558) 7.508 2.281 ( 5.754 -0.074 2.526) 6.285 2.350 ( 3.435 -0.474 -0.310) 3.482 2.467 ( 0.247 -4.322 -2.433) 4.966 2.668 ( -1.166 5.825 2.299) 6.370 2.782 ( -2.157 5.050 -0.380) 5.505 2.858 ( 9.040 1.669 -0.893) 9.236 2.919 ( -9.048 2.425 2.368) 9.662 2.957 ( -1.440 3.348 -1.536) 3.955 3.094 ( 5.323 -2.905 -2.254) 6.469 3.104 ( 3.251 -1.364 2.436) 4.285 3.183 ( -4.877 3.317 1.127) 6.005 3.192 ( -5.824 3.584 4.804) 8.357 3.320 ( 3.017 -3.917 0.648) 4.987 3.341 ( -1.241 -7.000 1.485) 7.262 3.464 ( 4.736 2.360 -0.580) 5.323 3.508 ( -3.372 -1.101 0.584) 3.594 3.550 ( 3.965 -7.965 -5.712) 10.573 3.713 ( 4.133 5.251 -4.469) 8.040 3.779 ( 1.368 0.558 -5.261) 5.465 4.002 ( -10.677 0.955 6.816) 12.703 4.063 ( -2.494 1.093 4.993) 5.687 4.164 ( 0.899 -3.376 3.337) 4.831 4.365 ( 8.833 -1.268 -5.760) 10.621 4.408 ( 3.065 7.362 1.301) 8.080 4.433 ( -7.354 5.077 -0.294) 8.941 4.591 ( -2.200 2.061 2.404) 3.856 4.680 ( 3.007 1.862 -0.652) 3.597 4.743 ( -0.978 0.849 -1.137) 1.723 4.832 ( -1.370 6.085 2.503) 6.721 4.878 ( 4.515 -6.612 -1.999) 8.252 5.010 ( 2.151 -6.024 -0.982) 6.472 5.083 ( -1.360 2.081 -4.601) 5.229 5.221 ( -2.180 1.420 -5.432) 6.023 5.395 ( -1.393 0.642 1.519) 2.158 5.477 ( 2.500 -1.040 0.285) 2.722 5.507 ( 0.868 0.915 1.119) 1.686 5.667 ( -4.049 3.366 4.543) 6.954 5.692 ( -2.067 -7.910 -2.835) 8.653 5.835 ( -6.147 -0.886 3.371) 7.067 5.924 ( 2.797 -7.276 0.464) 7.809 6.007 ( 5.243 0.438 -3.258) 6.188 6.161 ( -4.314 -6.889 2.482) 8.499 6.263 ( 5.590 -3.994 -3.233) 7.593 6.573 ( 0.027 3.185 1.087) 3.366 6.589 ( -1.686 2.247 1.329) 3.107 6.810 ( 1.062 5.684 1.819) 6.062 6.939 ( 0.905 -0.556 -3.647) 3.798 7.311 ( 1.448 6.542 0.069) 6.701 7.349 ( -0.769 4.986 -0.417) 5.062 7.620 ( 0.336 5.382 4.820) 7.233 7.773 ( -1.351 0.123 -1.357) 1.919 8.038 ( -1.079 -0.515 -0.603) 1.339 8.121 ( -1.418 -4.130 -3.995) 5.918 8.240 ( -0.764 -5.543 0.341) 5.606 8.276 ( 2.644 -3.711 -1.930) 4.949 8.642 ( 0.325 0.361 6.278) 6.297 8.734 ( -4.222 -4.491 5.186) 8.055 8.856 ( 1.396 0.909 -3.786) 4.136 8.970 ( 2.300 -3.770 -4.023) 5.974 9.713 ( -1.877 9.270 4.443) 10.450 9.973 ( 1.285 0.379 -6.183) 6.327 9.999 ( 0.944 6.596 1.929) 6.936 10.140 ( -0.764 2.756 -4.230) 5.106 10.430 ( 0.782 2.551 8.159) 8.584 10.468 ( 1.206 -4.124 5.440) 6.933 10.594 ( 0.088 1.505 0.766) 1.691 10.745 ( 2.375 -0.840 -0.895) 2.673 10.752 ( 0.216 0.544 -6.391) 6.418 10.826 ( -3.337 -3.143 -4.591) 6.488 11.072 ( -1.796 -10.005 3.176) 10.649 11.196 ( 0.664 -8.914 -2.359) 9.245 12.683 ( 1.725 1.325 0.132) 2.179 12.694 ( -1.870 1.065 -0.069) 2.153 12.851 ( 0.568 1.906 0.524) 2.057 12.868 ( -0.181 1.503 -0.121) 1.518 14.005 ( -0.421 -0.383 0.756) 0.946 14.040 ( 0.348 -1.609 -0.145) 1.653 14.209 ( 0.224 -0.304 1.627) 1.670 14.322 ( 0.143 -4.590 -2.601) 5.277 14.828 ( -3.022 2.307 1.909) 4.255 14.880 ( 3.345 0.317 0.102) 3.362 15.001 ( -2.303 1.105 0.871) 2.699 15.054 ( 1.854 -0.391 -0.948) 2.119 15.574 ( 0.227 2.565 0.368) 2.602 15.620 ( -0.901 0.066 -1.337) 1.614 15.842 ( -0.270 5.530 1.876) 5.845 15.933 ( 0.167 2.088 -1.187) 2.408 15.962 ( -0.228 -0.507 0.090) 0.564 16.005 ( 0.151 -1.755 -1.027) 2.039 16.174 ( -1.164 3.306 0.510) 3.541 16.217 ( 1.409 0.554 -1.315) 2.006 16.807 ( 0.672 -0.628 1.464) 1.729 16.849 ( -0.424 -1.417 -0.039) 1.480 16.865 ( 1.522 -0.351 0.481) 1.635 16.912 ( -1.408 -2.248 -0.778) 2.764 17.797 ( 0.896 0.418 0.371) 1.056 17.833 ( -0.640 -1.319 -1.361) 2.000 17.889 ( -0.323 -2.874 1.357) 3.195 17.927 ( -0.361 -3.752 -0.473) 3.799 21.621 ( -0.102 2.319 0.234) 2.333 21.646 ( 0.456 1.172 -0.707) 1.443 21.745 ( -1.790 0.920 0.474) 2.068 21.765 ( 1.512 -0.187 -0.374) 1.569 27.099 ( 2.233 1.240 2.599) 3.644 27.109 ( 2.991 0.598 3.258) 4.463 27.255 ( -2.247 1.713 -3.022) 4.137 27.285 ( -3.064 0.264 -2.942) 4.256 28.868 ( 0.016 0.026 -0.387) 0.388 28.871 ( 0.957 -0.080 -0.445) 1.058 28.940 ( -0.679 0.787 0.566) 1.184 28.944 ( -0.254 0.622 0.319) 0.744 29.934 ( 0.363 0.586 1.408) 1.568 29.990 ( 2.106 -1.936 -0.032) 2.861 30.074 ( 1.006 0.231 -0.652) 1.221 30.096 ( -2.862 -0.883 -0.430) 3.025 30.922 ( 1.122 2.559 2.527) 3.767 30.978 ( -2.984 -0.142 2.760) 4.067 31.103 ( -3.177 2.657 -3.469) 5.403 31.147 ( 4.419 0.381 -2.434) 5.059 31.655 ( -2.050 1.824 2.948) 4.027 31.747 ( -0.643 -2.041 0.636) 2.233 31.849 ( 1.066 -0.377 0.629) 1.293 31.889 ( 2.165 -1.378 -2.123) 3.331 32.682 ( -0.124 13.857 2.086) 14.014 32.879 ( 0.660 9.015 -7.105) 11.497 33.273 ( -0.408 -8.594 5.919) 10.443 33.423 ( -0.436 -11.462 -1.520) 11.570 33.770 ( -0.166 5.009 2.182) 5.466 33.967 ( 0.717 2.206 -7.061) 7.432 34.263 ( -2.769 -4.600 7.617) 9.319 34.499 ( 2.208 -8.190 -3.493) 9.173 ======================= Grid point 103 (51/88) ======================= q-point: (-0.40 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( -13.841 4.201 0.947) 14.496 2.264 ( -9.444 1.913 3.265) 10.174 2.364 ( -7.790 -2.679 -2.026) 8.484 2.427 ( -1.749 2.428 -4.150) 5.116 2.536 ( -7.570 0.346 3.130) 8.199 2.676 ( -6.911 0.743 -4.765) 8.427 2.833 ( -2.357 3.476 1.224) 4.374 2.932 ( -1.931 -1.097 3.336) 4.008 2.980 ( 3.712 3.518 -0.711) 5.164 3.093 ( -3.771 2.350 1.232) 4.611 3.148 ( -0.618 0.992 1.334) 1.774 3.179 ( 5.766 3.260 -3.064) 7.298 3.200 ( 2.667 -0.184 0.473) 2.715 3.310 ( -1.175 -5.235 2.325) 5.847 3.426 ( 1.289 -3.180 -1.248) 3.651 3.466 ( -2.223 2.438 1.585) 3.660 3.523 ( 3.654 -4.030 2.954) 6.190 3.636 ( 5.333 -4.739 -2.876) 7.692 3.724 ( 1.699 -3.552 -0.042) 3.938 3.782 ( 0.941 1.555 -2.401) 3.011 3.893 ( -0.499 3.378 -2.008) 3.962 4.079 ( -0.678 2.145 3.600) 4.245 4.174 ( -1.643 -2.317 1.768) 3.346 4.297 ( -4.027 0.954 0.538) 4.173 4.432 ( -4.023 5.802 3.889) 8.061 4.473 ( -3.668 2.947 -3.521) 5.876 4.555 ( -1.295 7.800 1.274) 8.009 4.618 ( -1.607 -0.471 -1.454) 2.217 4.727 ( 1.227 1.334 -1.011) 2.075 4.872 ( -3.717 0.700 -3.946) 5.466 4.894 ( 2.812 4.950 2.863) 6.372 5.036 ( 3.035 0.010 -5.582) 6.354 5.084 ( 1.959 -3.104 1.852) 4.112 5.191 ( 3.769 -2.223 -3.596) 5.664 5.334 ( -5.131 -3.950 0.563) 6.500 5.447 ( -7.297 -3.446 4.419) 9.200 5.493 ( -2.488 3.009 -2.573) 4.676 5.597 ( -5.643 -2.411 2.805) 6.747 5.656 ( 2.204 6.541 -2.339) 7.288 5.763 ( -6.280 -6.068 6.473) 10.870 5.913 ( -1.813 -6.442 -1.591) 6.879 6.010 ( -5.170 -6.240 -1.072) 8.174 6.101 ( 1.372 -0.536 -0.708) 1.634 6.330 ( 1.616 -5.984 -2.015) 6.517 6.566 ( -0.443 1.768 1.024) 2.091 6.588 ( -0.269 2.502 1.642) 3.004 6.827 ( -0.552 5.656 1.661) 5.920 6.940 ( 2.517 -0.752 -4.596) 5.294 7.323 ( -0.067 6.503 -0.575) 6.529 7.357 ( 1.724 4.261 -0.360) 4.610 7.688 ( 1.696 5.104 6.601) 8.515 7.746 ( 0.477 1.527 -2.355) 2.847 8.020 ( -0.371 0.552 -0.058) 0.668 8.090 ( 1.079 -2.992 -3.158) 4.482 8.262 ( 2.796 -7.831 -0.061) 8.315 8.335 ( 4.881 -3.688 -1.205) 6.236 8.690 ( -3.948 -4.001 4.294) 7.074 8.700 ( 0.260 -1.807 6.389) 6.645 8.828 ( -0.222 1.930 -4.035) 4.479 9.021 ( 4.987 -4.465 -3.906) 7.750 9.721 ( -1.011 9.154 5.016) 10.487 9.968 ( 2.735 2.093 -5.552) 6.533 10.040 ( 1.414 5.400 3.227) 6.448 10.096 ( -0.131 3.665 -4.943) 6.155 10.496 ( -0.383 2.720 7.942) 8.404 10.544 ( 1.492 -2.948 5.715) 6.601 10.611 ( 1.456 -0.151 -0.545) 1.562 10.686 ( -2.629 1.938 -9.018) 9.591 10.717 ( -1.781 -4.471 -4.340) 6.481 10.808 ( 3.958 -1.226 0.499) 4.173 11.060 ( -1.960 -9.636 3.348) 10.388 11.190 ( 0.437 -8.697 -1.767) 8.885 12.650 ( -2.275 2.689 -0.080) 3.523 12.723 ( 1.962 -0.338 0.275) 2.010 12.819 ( -2.835 3.150 -0.190) 4.243 12.885 ( 0.605 0.202 0.117) 0.648 14.006 ( -0.003 0.305 0.475) 0.565 14.053 ( 1.083 -1.622 0.022) 1.951 14.227 ( 0.054 -1.083 2.108) 2.370 14.300 ( -0.002 -4.132 -3.070) 5.147 14.751 ( -5.234 2.194 0.696) 5.718 14.869 ( -3.019 -2.649 2.129) 4.546 15.055 ( 5.574 3.095 -0.455) 6.392 15.137 ( 6.367 0.881 -0.741) 6.470 15.570 ( -0.942 2.605 0.068) 2.771 15.619 ( 1.800 0.679 0.170) 1.931 15.847 ( -0.732 4.840 1.487) 5.116 15.913 ( -0.810 2.374 -1.599) 2.975 15.947 ( -1.436 -0.347 0.603) 1.596 16.006 ( 0.565 -2.604 -0.666) 2.746 16.148 ( -1.591 3.846 0.073) 4.163 16.242 ( 1.720 -0.209 -1.029) 2.015 16.816 ( -1.982 -0.221 -0.543) 2.067 16.823 ( -0.591 1.226 1.316) 1.893 16.876 ( -1.029 -2.521 -1.489) 3.103 16.918 ( 2.424 -2.087 1.163) 3.404 17.794 ( -0.978 -0.586 -0.884) 1.442 17.842 ( 2.150 -0.710 -0.281) 2.281 17.910 ( 1.496 -3.557 1.924) 4.312 17.939 ( 1.924 -2.963 -0.418) 3.558 21.597 ( -1.303 3.080 -0.255) 3.354 21.687 ( 2.580 2.543 -0.012) 3.622 21.707 ( -1.087 0.085 -0.626) 1.257 21.811 ( 2.797 -1.116 0.419) 3.040 27.163 ( 0.333 0.584 -1.721) 1.847 27.168 ( -0.218 0.354 -1.796) 1.844 27.258 ( 5.630 2.324 0.598) 6.120 27.276 ( 6.787 1.230 2.921) 7.490 28.850 ( -1.179 0.229 -0.705) 1.393 28.871 ( -0.584 -0.583 -0.605) 1.024 28.950 ( 1.281 1.257 0.635) 1.904 28.963 ( 1.637 0.650 0.579) 1.854 29.938 ( -0.660 0.752 0.593) 1.164 29.982 ( -1.945 -1.082 -2.048) 3.025 30.104 ( 3.751 -0.011 -1.031) 3.890 30.136 ( 5.094 -1.262 1.946) 5.597 30.852 ( -6.763 3.434 2.943) 8.136 30.920 ( -7.002 1.041 -0.454) 7.093 31.090 ( 4.475 2.144 -0.762) 5.020 31.240 ( 4.994 -2.876 -1.473) 5.948 31.641 ( -1.920 2.432 4.031) 5.085 31.738 ( -0.476 -2.024 1.222) 2.411 31.817 ( -1.934 2.030 -1.437) 3.150 31.969 ( 4.820 -3.690 -2.828) 6.697 32.674 ( -2.749 13.452 3.024) 14.059 32.805 ( -2.597 10.051 -6.760) 12.388 33.281 ( -3.795 -8.951 6.115) 11.485 33.385 ( -2.058 -11.938 -2.441) 12.357 33.763 ( -2.222 4.615 1.932) 5.475 33.916 ( -0.541 2.245 -5.446) 5.916 34.214 ( -7.264 -2.256 5.037) 9.123 34.507 ( 0.764 -9.969 -2.000) 10.197 ======================= Grid point 104 (52/88) ======================= q-point: (-0.30 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( -14.609 6.144 1.826) 15.953 1.983 ( -19.822 4.885 -2.899) 20.620 2.150 ( -9.763 3.556 1.088) 10.448 2.251 ( -11.604 1.295 1.608) 11.786 2.507 ( -0.187 1.749 -5.124) 5.418 2.565 ( -0.458 -6.414 -1.807) 6.679 2.759 ( -5.372 1.070 -4.466) 7.068 2.914 ( -3.298 1.897 6.329) 7.385 2.932 ( -6.958 -2.206 -4.728) 8.697 3.037 ( -6.767 -0.864 1.909) 7.084 3.147 ( -2.119 -5.281 0.987) 5.775 3.183 ( 1.844 -1.835 -2.231) 3.427 3.281 ( 3.645 2.374 -1.719) 4.677 3.301 ( -0.461 1.178 4.275) 4.458 3.423 ( 1.395 -1.439 -0.398) 2.043 3.524 ( 3.800 4.816 1.934) 6.432 3.543 ( -4.623 3.382 0.861) 5.792 3.672 ( -0.852 -5.204 4.568) 6.977 3.733 ( -3.311 0.013 -2.133) 3.939 3.755 ( -1.817 -1.163 -0.358) 2.186 3.923 ( 2.609 -0.074 -2.650) 3.720 4.059 ( -11.372 4.882 3.141) 12.768 4.114 ( 3.393 0.263 -4.594) 5.717 4.239 ( -7.227 2.968 -1.237) 7.910 4.310 ( 0.299 -3.354 -0.550) 3.411 4.372 ( -5.480 4.253 3.664) 7.845 4.519 ( -4.771 6.477 4.327) 9.134 4.627 ( -5.059 4.671 -6.039) 9.159 4.670 ( 2.064 0.080 -4.665) 5.102 4.789 ( -1.993 8.298 1.085) 8.602 4.949 ( -3.242 -0.874 0.758) 3.443 5.041 ( 2.154 9.712 1.077) 10.006 5.122 ( 2.138 -8.784 -3.183) 9.584 5.219 ( -0.555 -0.609 -2.034) 2.194 5.256 ( -4.369 0.993 -1.899) 4.866 5.327 ( -6.076 -6.005 9.841) 13.032 5.467 ( 3.010 -4.609 -2.725) 6.143 5.555 ( -4.478 -6.675 6.225) 10.167 5.663 ( -0.693 3.084 -2.491) 4.024 5.682 ( -3.703 -2.070 0.644) 4.290 5.853 ( -3.996 -8.030 0.613) 8.990 5.945 ( 2.010 -2.714 -0.336) 3.394 6.156 ( 3.932 -1.875 -0.553) 4.391 6.296 ( -2.565 -5.972 -1.704) 6.719 6.565 ( -0.796 1.346 1.269) 2.014 6.623 ( 2.793 1.336 1.451) 3.420 6.830 ( 1.025 6.075 -0.366) 6.172 6.952 ( 2.892 -1.200 -5.743) 6.541 7.308 ( -0.622 6.655 -1.122) 6.777 7.393 ( 2.366 4.139 -0.512) 4.795 7.762 ( 3.350 2.175 -1.724) 4.350 7.778 ( 0.990 4.819 7.823) 9.241 8.025 ( 0.425 0.755 1.329) 1.586 8.101 ( 2.171 -4.115 -2.785) 5.423 8.327 ( 3.706 -7.692 0.090) 8.539 8.436 ( 6.147 -4.183 -0.260) 7.439 8.651 ( -2.351 -1.820 1.282) 3.238 8.740 ( -2.226 -0.525 6.810) 7.183 8.807 ( 1.231 -2.109 -2.279) 3.340 9.063 ( 2.612 -6.097 -4.685) 8.121 9.753 ( -0.080 10.152 5.590) 11.589 9.973 ( 1.551 2.939 -5.221) 6.189 10.060 ( 0.805 6.003 -4.170) 7.353 10.103 ( 2.566 4.329 2.306) 5.536 10.525 ( -4.805 2.492 -7.614) 9.342 10.538 ( -0.964 2.808 5.617) 6.353 10.610 ( 0.470 -2.875 3.412) 4.486 10.633 ( 1.764 -4.155 -2.918) 5.375 10.700 ( 1.518 -1.442 -0.673) 2.199 10.883 ( 3.111 -3.852 0.273) 4.959 11.059 ( -1.015 -7.714 4.124) 8.806 11.186 ( 0.064 -7.809 -0.660) 7.837 12.608 ( -2.080 4.470 -0.186) 4.934 12.750 ( -3.548 4.938 -0.785) 6.131 12.762 ( 1.447 -2.298 0.287) 2.730 12.885 ( -0.529 -1.090 -0.017) 1.211 14.014 ( 0.637 0.735 0.105) 0.978 14.083 ( 1.952 -1.340 0.385) 2.399 14.240 ( 0.159 -1.470 0.775) 1.669 14.284 ( 0.660 -4.092 -2.137) 4.664 14.662 ( -4.414 2.217 0.423) 4.958 14.843 ( -1.304 -5.252 1.726) 5.679 15.157 ( 5.313 3.830 -0.148) 6.551 15.261 ( 7.058 1.849 -0.438) 7.309 15.559 ( -0.052 4.454 0.307) 4.465 15.676 ( 3.082 1.570 1.420) 3.739 15.840 ( -0.484 3.664 0.287) 3.707 15.889 ( -0.752 2.259 -0.564) 2.447 15.922 ( -1.563 0.288 0.283) 1.614 16.013 ( 0.559 -4.219 -0.452) 4.280 16.120 ( -1.501 4.699 0.206) 4.937 16.260 ( 1.049 -0.645 -0.820) 1.479 16.768 ( -2.053 -0.730 -0.866) 2.345 16.815 ( -1.427 2.312 0.983) 2.890 16.845 ( -0.883 -2.678 -1.354) 3.128 16.965 ( 1.641 -2.539 0.569) 3.076 17.773 ( -0.546 0.446 -0.287) 0.761 17.879 ( 2.208 -2.134 -0.904) 3.201 17.978 ( 3.690 -2.604 2.072) 4.969 17.989 ( 3.138 -2.900 0.611) 4.316 21.578 ( -0.521 4.294 -0.138) 4.328 21.670 ( -1.461 3.800 -0.274) 4.081 21.760 ( 4.368 -0.283 -0.757) 4.443 21.873 ( 3.270 -1.781 0.678) 3.784 27.130 ( -0.072 0.757 -3.857) 3.931 27.144 ( 0.938 0.081 -3.327) 3.457 27.455 ( 11.903 4.162 3.155) 12.998 27.482 ( 10.975 1.930 4.142) 11.889 28.822 ( -1.146 -0.004 -0.613) 1.300 28.848 ( -1.129 -1.013 -0.814) 1.721 28.989 ( 2.135 1.850 0.654) 2.900 29.007 ( 2.514 0.935 0.468) 2.723 29.919 ( -0.953 0.688 -1.574) 1.964 29.938 ( -0.894 0.183 -1.129) 1.451 30.185 ( 5.471 1.085 -1.111) 5.688 30.265 ( 6.482 -2.328 1.813) 7.123 30.748 ( -6.859 4.329 3.332) 8.769 30.786 ( -5.630 2.359 -1.376) 6.257 31.167 ( 3.442 -0.797 0.213) 3.540 31.295 ( 1.318 -6.016 -0.048) 6.159 31.644 ( -1.563 4.077 4.163) 6.032 31.743 ( -0.336 -0.945 -0.604) 1.171 31.781 ( -0.450 3.609 1.075) 3.792 31.983 ( -0.309 -4.871 -5.428) 7.300 32.623 ( -5.295 11.036 1.652) 12.351 32.691 ( -4.236 9.773 -3.979) 11.370 33.217 ( -7.380 -8.874 4.162) 12.269 33.300 ( -5.513 -12.724 -2.074) 14.021 33.737 ( -0.976 4.840 1.149) 5.069 33.872 ( -1.192 1.835 -1.664) 2.749 34.097 ( -7.268 1.505 2.222) 7.748 34.489 ( -1.608 -12.542 -1.132) 12.696 ======================= Grid point 105 (53/88) ======================= q-point: (-0.20 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -14.253 16.497 -1.285) 21.840 1.590 ( -17.177 13.803 -0.163) 22.036 2.003 ( -9.441 4.994 -2.981) 11.089 2.107 ( -4.233 -8.476 10.174) 13.902 2.443 ( -3.067 3.337 -5.997) 7.517 2.557 ( -1.710 0.248 -4.632) 4.944 2.605 ( -5.385 -9.451 -2.553) 11.173 2.715 ( -9.231 -5.995 -4.209) 11.784 2.820 ( -9.011 -0.397 2.884) 9.470 2.992 ( -1.103 3.998 8.142) 9.137 3.106 ( -6.812 -1.009 2.915) 7.478 3.133 ( -7.014 5.696 0.344) 9.042 3.256 ( -1.954 -0.432 1.159) 2.312 3.317 ( -6.136 0.184 -0.652) 6.173 3.431 ( 2.212 4.783 -1.800) 5.568 3.466 ( 2.608 -0.853 -0.153) 2.748 3.561 ( -10.262 1.947 -3.732) 11.092 3.627 ( -3.206 0.199 0.737) 3.295 3.666 ( 3.152 3.255 0.030) 4.531 3.701 ( -2.222 -2.372 -0.476) 3.285 3.839 ( -6.659 -1.514 3.007) 7.461 3.955 ( -7.251 2.257 2.568) 8.017 4.090 ( -2.730 -1.103 -4.804) 5.634 4.140 ( -0.840 -1.905 -1.431) 2.526 4.319 ( 2.160 -3.802 -3.339) 5.502 4.336 ( -1.974 -1.265 2.585) 3.490 4.377 ( -6.761 12.444 -1.103) 14.205 4.553 ( -1.371 2.141 -0.915) 2.702 4.682 ( 0.452 4.604 -2.324) 5.177 4.770 ( 0.932 3.195 -3.060) 4.521 4.829 ( -5.947 2.062 -1.664) 6.511 5.062 ( 0.622 2.990 -2.144) 3.731 5.111 ( -3.889 -8.512 2.328) 9.644 5.162 ( -3.258 4.679 0.449) 5.719 5.204 ( -1.136 -3.897 -0.296) 4.070 5.366 ( -0.193 -0.165 8.371) 8.375 5.441 ( -7.946 -2.605 2.603) 8.758 5.497 ( -2.198 -7.899 0.846) 8.242 5.616 ( -1.847 -4.226 0.172) 4.615 5.705 ( 5.220 1.697 0.841) 5.552 5.847 ( 2.810 -9.204 -0.091) 9.624 6.035 ( 6.457 -1.173 -1.540) 6.740 6.213 ( 0.762 -3.828 2.545) 4.660 6.248 ( -0.067 -4.239 -2.289) 4.818 6.572 ( 1.101 3.331 0.673) 3.572 6.676 ( 1.192 2.946 0.540) 3.223 6.877 ( 3.065 5.616 0.119) 6.399 6.975 ( 6.754 -4.008 -8.727) 11.741 7.294 ( -0.186 7.920 0.628) 7.947 7.444 ( 3.814 3.905 -0.519) 5.484 7.794 ( -1.234 9.593 3.541) 10.300 7.846 ( 1.212 -2.063 1.279) 2.713 8.067 ( 2.640 -1.181 3.175) 4.295 8.116 ( 1.368 -5.799 -2.059) 6.304 8.392 ( 2.882 -6.646 0.089) 7.245 8.545 ( 5.286 -5.566 -1.388) 7.800 8.628 ( -0.622 0.130 1.126) 1.293 8.720 ( -3.243 2.992 3.426) 5.586 8.836 ( 1.203 -7.346 1.652) 7.625 9.045 ( -0.146 -7.083 -5.309) 8.852 9.791 ( -0.578 10.986 4.649) 11.943 9.933 ( -1.196 1.699 -4.157) 4.647 10.062 ( 2.816 9.494 -5.166) 11.169 10.171 ( 2.541 3.491 2.458) 4.969 10.379 ( -4.318 2.679 -5.534) 7.513 10.565 ( -0.925 4.049 5.386) 6.801 10.625 ( -0.718 -3.282 1.033) 3.514 10.646 ( 1.272 -6.411 -1.013) 6.614 10.744 ( 2.251 -1.970 1.125) 3.196 10.918 ( 1.567 -5.618 -1.946) 6.149 11.081 ( -0.517 -5.195 4.020) 6.589 11.183 ( 0.063 -6.563 -0.215) 6.566 12.570 ( -1.624 5.978 -0.454) 6.212 12.668 ( -3.995 5.631 -0.958) 6.970 12.788 ( 0.745 -2.583 0.082) 2.689 12.872 ( -0.668 -2.130 0.103) 2.234 14.031 ( 0.991 0.550 0.288) 1.170 14.133 ( 2.919 -1.318 0.330) 3.219 14.257 ( 1.773 -0.960 -0.270) 2.034 14.284 ( 0.872 -4.047 -2.083) 4.634 14.600 ( -2.671 2.181 1.129) 3.628 14.841 ( 0.276 -8.383 -0.146) 8.389 15.251 ( 4.507 3.923 0.723) 6.019 15.381 ( 5.027 -0.214 0.133) 5.033 15.591 ( 3.876 8.777 0.289) 9.599 15.736 ( 1.993 3.247 0.883) 3.911 15.845 ( 1.122 2.152 -0.246) 2.439 15.874 ( -0.763 1.963 -0.282) 2.125 15.897 ( -1.134 1.020 0.193) 1.538 16.014 ( 0.144 -4.278 -1.875) 4.673 16.100 ( -0.538 3.840 0.948) 3.992 16.276 ( 0.864 -1.260 0.872) 1.759 16.726 ( -1.789 -1.422 -1.341) 2.650 16.787 ( -1.837 0.254 0.965) 2.090 16.829 ( -0.164 -0.334 -0.374) 0.528 16.981 ( 0.119 -3.203 -1.156) 3.407 17.778 ( 0.663 1.999 1.494) 2.582 17.916 ( 2.946 -1.978 -1.890) 4.021 18.052 ( 3.277 -2.020 0.360) 3.866 18.070 ( 3.420 -3.165 2.461) 5.270 21.579 ( 0.502 5.129 0.727) 5.205 21.645 ( -1.066 4.351 0.119) 4.481 21.841 ( 4.715 0.389 -0.674) 4.779 21.941 ( 3.432 -1.613 0.349) 3.808 27.122 ( 1.299 1.363 -0.891) 2.083 27.155 ( 1.988 -0.290 -0.908) 2.205 27.706 ( 11.465 4.316 1.128) 12.302 27.752 ( 16.163 4.300 0.430) 16.731 28.801 ( -0.721 -0.388 -0.181) 0.839 28.821 ( -1.026 -1.272 -0.537) 1.721 29.038 ( 2.416 2.447 0.778) 3.526 29.065 ( 3.698 1.266 -0.152) 3.912 29.901 ( 0.573 1.403 -0.836) 1.730 29.921 ( -0.456 0.534 -0.452) 0.835 30.288 ( 6.105 2.234 -0.457) 6.516 30.394 ( 5.999 -2.452 0.630) 6.511 30.643 ( -6.203 4.747 2.122) 8.094 30.704 ( -2.732 2.202 0.019) 3.509 31.214 ( 1.139 -2.685 0.120) 2.919 31.289 ( -1.808 -7.207 0.373) 7.439 31.625 ( -1.618 5.323 -1.082) 5.667 31.731 ( -0.466 0.476 0.778) 1.024 31.811 ( 0.613 1.643 2.816) 3.317 31.897 ( -4.083 -2.090 -1.589) 4.854 32.471 ( -8.331 6.430 -5.836) 12.033 32.605 ( -5.139 5.868 1.372) 7.920 33.071 ( -9.425 -9.725 -0.648) 13.558 33.136 ( -11.414 -11.131 1.561) 16.019 33.759 ( 1.770 4.674 2.190) 5.457 33.849 ( -0.980 2.108 1.036) 2.545 34.006 ( -2.812 4.758 -0.082) 5.527 34.424 ( -3.842 -13.434 -2.578) 14.208 ======================= Grid point 106 (54/88) ======================= q-point: (-0.10 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -9.855 23.597 -0.262) 25.573 1.411 ( -5.522 24.987 6.471) 26.396 1.778 ( -8.067 3.930 -9.814) 13.298 2.181 ( 0.981 -9.647 8.718) 13.040 2.298 ( -11.221 8.818 9.879) 17.357 2.341 ( -9.216 2.352 -9.437) 13.399 2.537 ( -3.459 -10.215 2.053) 10.978 2.653 ( -0.574 -2.589 -0.362) 2.676 2.705 ( -2.575 5.802 -0.497) 6.367 2.918 ( -9.036 4.527 4.310) 10.987 3.063 ( -0.060 -1.760 3.964) 4.338 3.069 ( -0.705 3.256 2.589) 4.220 3.168 ( -4.200 -3.074 -3.575) 6.315 3.263 ( 0.958 -4.217 -2.142) 4.826 3.337 ( -9.110 2.166 -2.932) 9.812 3.412 ( -2.307 1.158 -1.903) 3.207 3.502 ( -0.648 0.857 -1.108) 1.543 3.573 ( -0.875 2.364 -1.321) 2.845 3.661 ( 0.239 -0.569 -0.328) 0.699 3.716 ( -0.455 0.905 -1.210) 1.578 3.793 ( -0.143 -4.692 2.915) 5.525 3.848 ( -4.778 0.474 3.481) 5.930 3.963 ( -5.682 -2.226 -3.010) 6.805 4.135 ( 0.302 -4.712 -1.831) 5.064 4.301 ( 0.021 6.617 -3.819) 7.641 4.327 ( 1.701 3.062 1.949) 4.009 4.363 ( 0.330 0.815 -0.034) 0.880 4.510 ( -1.913 -0.714 -1.113) 2.325 4.661 ( 1.252 3.262 -4.737) 5.886 4.731 ( -0.961 -1.289 -5.213) 5.456 4.797 ( 2.603 1.099 0.537) 2.876 5.018 ( -5.502 -3.779 1.958) 6.956 5.068 ( -0.139 -1.488 -2.594) 2.994 5.125 ( -2.074 -1.663 2.891) 3.928 5.152 ( -2.867 1.554 1.131) 3.451 5.260 ( -11.045 0.316 4.512) 11.935 5.422 ( -1.836 5.120 5.832) 7.975 5.485 ( 0.707 0.528 -0.484) 1.007 5.640 ( 1.515 -6.635 3.902) 7.845 5.804 ( 1.819 -0.505 4.714) 5.077 5.891 ( 1.428 -11.690 -1.841) 11.920 6.129 ( 5.404 -4.677 -4.010) 8.195 6.239 ( 0.683 -2.602 0.675) 2.774 6.249 ( 1.439 -3.750 -0.353) 4.032 6.611 ( 1.202 5.734 0.804) 5.914 6.686 ( 1.591 3.062 -1.976) 3.977 6.897 ( 0.274 5.914 -1.374) 6.078 7.085 ( 9.866 -5.979 -8.103) 14.098 7.325 ( 1.200 8.520 4.959) 9.931 7.528 ( 4.929 4.224 -0.252) 6.496 7.762 ( -4.951 10.217 4.020) 12.044 7.825 ( -2.542 -0.839 -1.850) 3.254 8.117 ( 1.154 -5.089 -1.528) 5.437 8.167 ( 3.463 -6.106 2.954) 7.616 8.426 ( 0.905 -7.074 -1.122) 7.220 8.565 ( 0.014 -3.680 -5.164) 6.341 8.661 ( 0.073 -1.032 4.272) 4.396 8.704 ( -0.691 1.014 4.544) 4.707 8.861 ( 1.047 -5.973 -0.825) 6.120 8.992 ( -0.846 -6.128 -4.755) 7.802 9.798 ( -0.940 10.041 2.187) 10.320 9.900 ( -0.750 2.044 1.660) 2.738 10.072 ( 2.006 11.155 -4.633) 12.244 10.225 ( 2.263 2.891 -1.020) 3.810 10.304 ( -0.692 2.506 0.101) 2.602 10.568 ( -4.393 3.425 5.898) 8.112 10.604 ( -1.739 -3.697 1.604) 4.389 10.670 ( 2.699 -5.630 -2.138) 6.599 10.785 ( 0.736 -4.049 1.508) 4.382 10.924 ( 1.629 -3.725 -3.742) 5.526 11.087 ( -1.557 -4.652 2.433) 5.476 11.180 ( -0.103 -5.844 -1.180) 5.962 12.545 ( -0.526 7.059 -0.473) 7.094 12.597 ( -2.704 6.605 -0.622) 7.164 12.793 ( -0.129 -2.527 0.538) 2.586 12.865 ( -0.262 -3.156 -0.102) 3.169 14.053 ( 0.761 -0.085 0.975) 1.239 14.181 ( 1.809 -2.654 -0.761) 3.301 14.280 ( 0.353 -0.618 0.095) 0.718 14.307 ( 3.699 -1.025 -2.643) 4.660 14.580 ( -1.089 0.616 2.540) 2.832 14.840 ( 0.266 -11.060 -2.556) 11.355 15.336 ( 3.543 3.161 1.321) 4.928 15.434 ( 1.006 -1.851 -0.029) 2.107 15.696 ( 5.853 8.597 -1.310) 10.483 15.773 ( 2.311 4.000 -0.318) 4.631 15.849 ( -1.384 2.665 -0.260) 3.014 15.869 ( 1.359 1.039 -0.441) 1.767 15.883 ( -0.660 1.599 0.528) 1.808 15.988 ( -0.687 -1.192 -2.310) 2.688 16.124 ( 2.440 0.389 -0.276) 2.486 16.300 ( -0.539 -4.568 1.667) 4.892 16.676 ( -1.617 0.893 -1.036) 2.118 16.777 ( -0.724 -2.255 2.054) 3.135 16.828 ( 0.499 0.662 -1.024) 1.317 16.952 ( -1.233 -2.662 -2.975) 4.178 17.815 ( 1.182 2.986 2.355) 3.982 17.960 ( 3.544 -1.241 -2.760) 4.660 18.099 ( 0.907 -2.373 0.473) 2.584 18.131 ( 1.452 -2.494 0.923) 3.030 21.608 ( 1.080 4.397 1.919) 4.918 21.635 ( -0.364 5.529 1.352) 5.704 21.919 ( 3.504 0.562 0.033) 3.549 22.001 ( 2.654 -0.908 -0.320) 2.823 27.165 ( 1.809 1.055 3.813) 4.351 27.200 ( 2.020 -0.512 2.357) 3.146 27.879 ( 7.065 5.963 -2.830) 9.668 28.039 ( 14.269 0.779 -6.454) 15.680 28.792 ( -0.245 -0.653 0.242) 0.738 28.804 ( -0.512 -1.444 0.075) 1.534 29.086 ( 1.814 3.023 0.901) 3.639 29.150 ( 5.590 0.462 -1.424) 5.787 29.917 ( 0.334 1.658 0.871) 1.903 29.942 ( 3.076 0.838 2.361) 3.967 30.403 ( 5.425 2.668 1.109) 6.146 30.495 ( 4.329 -1.463 -0.092) 4.570 30.562 ( -3.831 5.113 2.321) 6.797 30.674 ( -1.122 1.005 0.816) 1.713 31.196 ( -2.468 -3.245 -0.515) 4.109 31.259 ( -0.984 -6.215 -0.620) 6.323 31.595 ( 0.251 2.546 -1.570) 3.001 31.693 ( -2.393 -1.722 -2.685) 3.987 31.817 ( -0.933 1.980 -0.785) 2.325 31.879 ( -1.516 -0.275 5.343) 5.561 32.259 ( -6.173 6.290 -7.087) 11.309 32.495 ( -7.188 -2.244 1.880) 7.762 32.857 ( -12.659 -6.920 2.082) 14.576 32.953 ( -7.663 -8.180 0.680) 11.229 33.820 ( 1.977 4.116 3.271) 5.617 33.848 ( -0.677 2.564 2.343) 3.539 33.987 ( 0.928 6.124 -1.546) 6.384 34.308 ( -4.523 -9.019 -5.938) 11.707 ======================= Grid point 107 (55/88) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -1.330 -10.230 -4.570) 11.283 1.517 ( -1.330 10.230 -4.570) 11.283 2.026 ( 1.690 -22.463 5.753) 23.249 2.026 ( 1.690 22.463 5.753) 23.249 2.264 ( 1.135 -4.139 10.553) 11.392 2.264 ( 1.135 4.139 10.553) 11.392 2.490 ( 2.309 -11.343 -5.759) 12.929 2.490 ( 2.309 11.343 -5.759) 12.929 2.802 ( -4.130 -8.997 -4.916) 11.053 2.802 ( -4.130 8.997 -4.916) 11.053 3.014 ( 0.090 -8.561 -1.460) 8.685 3.014 ( 0.090 8.561 -1.460) 8.685 3.228 ( 1.101 -2.376 5.476) 6.070 3.228 ( 1.101 2.376 5.476) 6.070 3.329 ( 0.564 -4.765 4.750) 6.752 3.329 ( 0.564 4.765 4.750) 6.752 3.571 ( -1.387 -6.530 -4.237) 7.907 3.571 ( -1.387 6.530 -4.237) 7.907 3.685 ( 3.041 -9.155 -3.508) 10.265 3.685 ( 3.041 9.155 -3.508) 10.265 3.742 ( -2.988 -2.593 0.648) 4.009 3.742 ( -2.988 2.593 0.648) 4.009 3.947 ( -0.722 -7.404 -1.358) 7.562 3.947 ( -0.722 7.404 -1.358) 7.562 4.314 ( -1.899 -3.273 0.332) 3.798 4.314 ( -1.899 3.273 0.332) 3.798 4.554 ( 2.156 -8.464 -5.513) 10.329 4.554 ( 2.156 8.464 -5.513) 10.329 4.662 ( 2.241 -11.862 1.966) 12.231 4.662 ( 2.241 11.862 1.966) 12.231 4.821 ( 2.979 -7.929 -3.054) 9.004 4.821 ( 2.979 7.929 -3.054) 9.004 5.084 ( -0.602 -3.445 4.805) 5.943 5.084 ( -0.602 3.445 4.805) 5.943 5.198 ( -0.927 -1.302 1.184) 1.989 5.198 ( -0.927 1.302 1.184) 1.989 5.491 ( -3.471 -5.354 5.502) 8.425 5.491 ( -3.471 5.354 5.502) 8.425 5.673 ( 0.356 -8.195 -0.324) 8.209 5.673 ( 0.356 8.195 -0.324) 8.209 5.979 ( -0.085 -9.542 -2.111) 9.773 5.979 ( -0.085 9.542 -2.111) 9.773 6.223 ( 0.300 -1.329 0.026) 1.363 6.223 ( 0.300 1.329 0.026) 1.363 6.685 ( -2.844 -3.595 2.753) 5.347 6.685 ( -2.844 3.595 2.753) 5.347 7.048 ( 6.359 -7.019 -9.503) 13.417 7.048 ( 6.359 7.019 -9.503) 13.417 7.581 ( -1.308 -8.086 7.198) 10.904 7.581 ( -1.308 8.086 7.198) 10.904 7.793 ( -1.379 -5.298 -2.303) 5.939 7.793 ( -1.379 5.298 -2.303) 5.939 8.085 ( -0.218 -3.820 2.068) 4.349 8.085 ( -0.218 3.820 2.068) 4.349 8.385 ( -0.545 -5.142 -6.279) 8.134 8.385 ( -0.545 5.142 -6.279) 8.134 8.671 ( -1.469 -1.280 4.344) 4.761 8.671 ( -1.469 1.280 4.344) 4.761 8.887 ( 1.582 -3.900 -1.812) 4.582 8.887 ( 1.582 3.900 -1.812) 4.582 9.941 ( 1.148 -2.404 4.940) 5.613 9.941 ( 1.148 2.404 4.940) 5.613 10.229 ( -0.067 -5.215 -3.830) 6.471 10.229 ( -0.067 5.215 -3.830) 6.471 10.493 ( 0.769 -10.783 1.308) 10.889 10.493 ( 0.769 10.783 1.308) 10.889 10.548 ( -1.604 -4.794 0.893) 5.133 10.548 ( -1.604 4.794 0.893) 5.133 10.831 ( 0.935 -5.250 1.112) 5.447 10.831 ( 0.935 5.250 1.112) 5.447 11.053 ( -1.128 -3.432 -2.769) 4.552 11.053 ( -1.128 3.432 -2.769) 4.552 12.655 ( 0.238 -0.649 0.192) 0.717 12.655 ( 0.238 0.649 0.192) 0.717 12.774 ( -0.037 -2.561 -0.016) 2.561 12.774 ( -0.037 2.561 -0.016) 2.561 14.104 ( -0.141 -3.361 0.104) 3.366 14.104 ( -0.141 3.361 0.104) 3.366 14.326 ( 0.716 -1.349 -0.427) 1.586 14.326 ( 0.716 1.349 -0.427) 1.586 14.631 ( -0.777 -5.425 -0.087) 5.481 14.631 ( -0.777 5.425 -0.087) 5.481 15.410 ( -0.369 -1.224 0.355) 1.327 15.410 ( -0.369 1.224 0.355) 1.327 15.836 ( -0.393 -3.556 0.635) 3.633 15.836 ( -0.393 3.556 0.635) 3.633 15.877 ( 0.274 -1.563 -0.911) 1.830 15.877 ( 0.274 1.563 -0.911) 1.830 15.925 ( 0.899 -3.157 -1.126) 3.471 15.925 ( 0.899 3.157 -1.126) 3.471 16.180 ( -0.336 -1.481 -1.165) 1.914 16.180 ( -0.336 1.481 -1.165) 1.914 16.727 ( 0.477 -1.773 1.809) 2.577 16.727 ( 0.477 1.773 1.809) 2.577 16.862 ( 0.210 -2.951 -2.967) 4.190 16.862 ( 0.210 2.951 -2.967) 4.190 17.926 ( 0.045 -4.877 0.671) 4.923 17.926 ( 0.045 4.877 0.671) 4.923 18.090 ( -0.977 -1.941 -1.045) 2.412 18.090 ( -0.977 1.941 -1.045) 2.412 21.695 ( 0.047 -1.721 2.811) 3.296 21.695 ( 0.047 1.721 2.811) 3.296 21.986 ( -0.083 -2.235 -1.025) 2.460 21.986 ( -0.083 2.235 -1.025) 2.460 27.243 ( 0.713 -0.718 5.030) 5.131 27.243 ( 0.713 0.718 5.030) 5.131 28.024 ( -0.974 -4.924 -7.789) 9.266 28.024 ( -0.974 4.924 -7.789) 9.266 28.788 ( 0.252 -0.181 0.462) 0.556 28.788 ( 0.252 0.181 0.462) 0.556 29.165 ( 0.067 -2.192 -1.242) 2.520 29.165 ( 0.067 2.192 -1.242) 2.520 29.989 ( 0.909 -1.679 2.927) 3.495 29.989 ( 0.909 1.679 2.927) 3.495 30.523 ( 0.216 -1.710 0.691) 1.857 30.523 ( 0.216 1.710 0.691) 1.857 30.633 ( -0.936 -2.953 3.080) 4.368 30.633 ( -0.936 2.953 3.080) 4.368 31.151 ( 0.071 -1.700 -1.392) 2.198 31.151 ( 0.071 1.700 -1.392) 2.198 31.642 ( 2.421 -1.073 -0.544) 2.704 31.642 ( 2.421 1.073 -0.544) 2.704 31.753 ( -5.019 -1.217 -4.717) 6.994 31.753 ( -5.019 1.217 -4.717) 6.994 32.382 ( 4.967 -2.369 3.848) 6.714 32.382 ( 4.967 2.369 3.848) 6.714 32.738 ( -2.162 -4.633 -0.069) 5.113 32.738 ( -2.162 4.633 -0.069) 5.113 33.889 ( -1.117 -0.883 3.950) 4.199 33.889 ( -1.117 0.883 3.950) 4.199 34.113 ( 0.791 -5.675 -4.491) 7.280 34.113 ( 0.791 5.675 -4.491) 7.280 ======================= Grid point 109 (56/88) ======================= q-point: ( 0.10 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 6.118 -1.033 -1.316) 6.343 1.544 ( 6.118 1.033 -1.316) 6.343 2.044 ( -1.078 -8.231 4.599) 9.490 2.044 ( -1.078 8.231 4.599) 9.490 2.444 ( 8.226 -7.842 -0.706) 11.387 2.444 ( 8.226 7.842 -0.706) 11.387 2.510 ( 2.689 -2.294 -0.950) 3.660 2.510 ( 2.689 2.294 -0.950) 3.660 2.795 ( 6.456 -9.240 0.931) 11.311 2.795 ( 6.456 9.240 0.931) 11.311 3.075 ( 6.269 -8.658 -0.624) 10.707 3.075 ( 6.269 8.658 -0.624) 10.707 3.240 ( -0.896 -4.502 2.946) 5.455 3.240 ( -0.896 4.502 2.946) 5.455 3.457 ( 1.699 -1.447 -0.162) 2.238 3.457 ( 1.699 1.447 -0.162) 2.238 3.506 ( 3.337 -8.073 -0.507) 8.750 3.506 ( 3.337 8.073 -0.507) 8.750 3.680 ( -1.799 -6.148 1.195) 6.516 3.680 ( -1.799 6.148 1.195) 6.516 3.755 ( 4.392 -5.228 -3.143) 7.517 3.755 ( 4.392 5.228 -3.143) 7.517 3.978 ( 6.058 -1.181 -1.483) 6.348 3.978 ( 6.058 1.181 -1.483) 6.348 4.275 ( -2.281 -5.411 0.889) 5.939 4.275 ( -2.281 5.411 0.889) 5.939 4.568 ( 1.654 -3.337 -3.100) 4.846 4.568 ( 1.654 3.337 -3.100) 4.846 4.679 ( 1.510 -7.837 -3.136) 8.575 4.679 ( 1.510 7.837 -3.136) 8.575 4.868 ( 3.091 -6.729 -1.998) 7.670 4.868 ( 3.091 6.729 -1.998) 7.670 5.174 ( 4.242 -3.053 2.563) 5.820 5.174 ( 4.242 3.053 2.563) 5.820 5.222 ( 2.856 -2.753 3.549) 5.323 5.222 ( 2.856 2.753 3.549) 5.323 5.441 ( -5.534 -6.535 5.860) 10.376 5.441 ( -5.534 6.535 5.860) 10.376 5.680 ( 0.172 -6.441 -1.248) 6.563 5.680 ( 0.172 6.441 -1.248) 6.563 5.920 ( -3.608 -4.520 -1.586) 5.997 5.920 ( -3.608 4.520 -1.586) 5.997 6.219 ( -1.198 -2.681 0.293) 2.951 6.219 ( -1.198 2.681 0.293) 2.951 6.645 ( -2.888 -5.004 1.536) 5.978 6.645 ( -2.888 5.004 1.536) 5.978 7.058 ( 1.525 -6.689 -7.507) 10.170 7.058 ( 1.525 6.689 -7.507) 10.170 7.545 ( -5.625 -6.454 3.332) 9.187 7.545 ( -5.625 6.454 3.332) 9.187 7.796 ( 1.153 -8.316 0.619) 8.418 7.796 ( 1.153 8.316 0.619) 8.418 8.089 ( -0.508 -3.506 1.976) 4.056 8.089 ( -0.508 3.506 1.976) 4.056 8.346 ( 0.537 -1.273 -3.871) 4.110 8.346 ( 0.537 1.273 -3.871) 4.110 8.657 ( -2.953 -1.241 3.665) 4.867 8.657 ( -2.953 1.241 3.665) 4.867 8.906 ( 1.899 -5.467 -2.293) 6.225 8.906 ( 1.899 5.467 -2.293) 6.225 9.997 ( 0.179 -7.076 3.879) 8.071 9.997 ( 0.179 7.076 3.879) 8.071 10.183 ( -0.934 -7.611 -4.371) 8.826 10.183 ( -0.934 7.611 -4.371) 8.826 10.492 ( -1.205 -4.606 -0.430) 4.780 10.492 ( -1.205 4.606 -0.430) 4.780 10.577 ( 2.963 -6.154 2.496) 7.272 10.577 ( 2.963 6.154 2.496) 7.272 10.845 ( -0.674 -3.973 1.185) 4.200 10.845 ( -0.674 3.973 1.185) 4.200 11.013 ( -0.724 -4.303 -1.729) 4.694 11.013 ( -0.724 4.303 -1.729) 4.694 12.667 ( 0.858 -2.647 -0.170) 2.788 12.667 ( 0.858 2.647 -0.170) 2.788 12.783 ( 0.980 -2.679 0.073) 2.854 12.783 ( 0.980 2.679 0.073) 2.854 14.092 ( -1.268 -1.947 0.028) 2.324 14.092 ( -1.268 1.947 0.028) 2.324 14.309 ( -1.692 -1.714 -0.563) 2.473 14.309 ( -1.692 1.714 -0.563) 2.473 14.626 ( 0.300 -2.919 0.111) 2.936 14.626 ( 0.300 2.919 0.111) 2.936 15.387 ( -2.234 -2.413 0.454) 3.320 15.387 ( -2.234 2.413 0.454) 3.320 15.810 ( -3.188 -2.785 -0.281) 4.243 15.810 ( -3.188 2.785 -0.281) 4.243 15.875 ( 0.378 -1.308 -0.628) 1.499 15.875 ( 0.378 1.308 -0.628) 1.499 15.919 ( -0.368 -3.874 -0.462) 3.918 15.919 ( -0.368 3.874 -0.462) 3.918 16.186 ( 1.662 -2.605 -0.239) 3.099 16.186 ( 1.662 2.605 -0.239) 3.099 16.760 ( 1.272 -1.526 1.929) 2.769 16.760 ( 1.272 1.526 1.929) 2.769 16.844 ( 0.544 -3.512 -3.303) 4.852 16.844 ( 0.544 3.512 -3.303) 4.852 17.903 ( -2.712 -5.153 0.711) 5.867 17.903 ( -2.712 5.153 0.711) 5.867 18.055 ( -2.023 -2.223 -0.160) 3.010 18.055 ( -2.023 2.223 -0.160) 3.010 21.713 ( -0.340 -2.255 2.232) 3.191 21.713 ( -0.340 2.255 2.232) 3.191 21.941 ( -3.559 -1.151 -0.991) 3.870 21.941 ( -3.559 1.151 -0.991) 3.870 27.276 ( -1.077 -0.537 3.781) 3.968 27.276 ( -1.077 0.537 3.781) 3.968 27.864 ( -9.424 -2.267 -5.244) 11.020 27.864 ( -9.424 2.267 -5.244) 11.020 28.801 ( 0.805 -0.340 0.199) 0.896 28.801 ( 0.805 0.340 0.199) 0.896 29.127 ( -2.867 -1.156 -0.646) 3.158 29.127 ( -2.867 1.156 -0.646) 3.158 30.002 ( -1.317 -0.741 1.392) 2.054 30.002 ( -1.317 0.741 1.392) 2.054 30.466 ( -5.937 -1.170 0.480) 6.070 30.466 ( -5.937 1.170 0.480) 6.070 30.660 ( 1.349 -2.110 2.136) 3.292 30.660 ( 1.349 2.110 2.136) 3.292 31.161 ( 1.685 -0.580 -0.912) 2.002 31.161 ( 1.685 0.580 -0.912) 2.002 31.622 ( -1.911 -2.304 -3.551) 4.644 31.622 ( -1.911 2.304 -3.551) 4.644 31.774 ( 7.187 -2.937 2.280) 8.092 31.774 ( 7.187 2.937 2.280) 8.092 32.546 ( 9.241 -9.245 -2.786) 13.365 32.546 ( 9.241 9.245 -2.786) 13.365 32.776 ( 5.774 -5.979 2.757) 8.757 32.776 ( 5.774 5.979 2.757) 8.757 33.887 ( -2.325 -2.697 4.172) 5.486 33.887 ( -2.325 2.697 4.172) 5.486 34.099 ( 1.771 -6.434 -4.334) 7.957 34.099 ( 1.771 6.434 -4.334) 7.957 ======================= Grid point 111 (57/88) ======================= q-point: ( 0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 10.360 -4.999 2.342) 11.739 1.705 ( 10.360 4.999 2.342) 11.739 2.121 ( 7.102 -5.457 -0.243) 8.959 2.121 ( 7.102 5.457 -0.243) 8.959 2.461 ( 0.515 -4.882 -2.996) 5.752 2.461 ( 0.515 4.882 -2.996) 5.752 2.616 ( 7.171 -4.049 -3.539) 8.963 2.616 ( 7.171 4.049 -3.539) 8.963 2.993 ( 9.209 -7.486 3.796) 12.460 2.993 ( 9.209 7.486 3.796) 12.460 3.147 ( -0.662 -6.174 -1.023) 6.293 3.147 ( -0.662 6.174 -1.023) 6.293 3.253 ( 2.243 -0.716 1.074) 2.588 3.253 ( 2.243 0.716 1.074) 2.588 3.486 ( 2.502 -3.225 0.053) 4.082 3.486 ( 2.502 3.225 0.053) 4.082 3.544 ( 0.631 -2.762 1.905) 3.414 3.544 ( 0.631 2.762 1.905) 3.414 3.734 ( 0.154 -8.854 0.817) 8.893 3.734 ( 0.154 8.854 0.817) 8.893 3.836 ( 9.538 -7.882 -1.649) 12.483 3.836 ( 9.538 7.882 -1.649) 12.483 4.114 ( 8.059 -2.497 -2.557) 8.816 4.114 ( 8.059 2.497 -2.557) 8.816 4.267 ( 1.694 -9.955 1.052) 10.153 4.267 ( 1.694 9.955 1.052) 10.153 4.538 ( -1.726 -2.500 -0.652) 3.107 4.538 ( -1.726 2.500 -0.652) 3.107 4.741 ( 7.752 -5.221 -4.803) 10.508 4.741 ( 7.752 5.221 -4.803) 10.508 4.919 ( 4.330 -1.969 -0.232) 4.763 4.919 ( 4.330 1.969 -0.232) 4.763 5.205 ( -1.681 -0.655 -0.398) 1.848 5.205 ( -1.681 0.655 -0.398) 1.848 5.329 ( 2.860 -6.474 4.812) 8.559 5.329 ( 2.860 6.474 4.812) 8.559 5.420 ( -1.306 -1.745 6.270) 6.638 5.420 ( -1.306 1.745 6.270) 6.638 5.627 ( -3.191 -5.666 -3.590) 7.428 5.627 ( -3.191 5.666 -3.590) 7.428 5.879 ( 0.715 -2.649 -0.589) 2.806 5.879 ( 0.715 2.649 -0.589) 2.807 6.179 ( -2.932 -2.662 -0.026) 3.960 6.179 ( -2.932 2.662 -0.026) 3.960 6.607 ( -2.033 -4.284 0.734) 4.798 6.607 ( -2.033 4.284 0.734) 4.798 6.997 ( -2.760 -6.228 -3.855) 7.827 6.997 ( -2.760 6.228 -3.855) 7.827 7.476 ( -1.930 -6.826 -1.552) 7.262 7.476 ( -1.930 6.826 -1.552) 7.262 7.802 ( -2.032 -7.747 2.969) 8.541 7.802 ( -2.032 7.747 2.969) 8.541 8.104 ( 0.388 -4.247 1.009) 4.382 8.104 ( 0.388 4.247 1.009) 4.382 8.326 ( -1.230 -0.794 -0.694) 1.620 8.326 ( -1.230 0.794 -0.694) 1.620 8.636 ( -2.264 -3.721 4.546) 6.296 8.636 ( -2.264 3.721 4.546) 6.296 8.916 ( 1.630 -7.664 -3.878) 8.742 8.916 ( 1.630 7.664 -3.878) 8.742 9.994 ( -2.010 -10.574 0.979) 10.808 9.994 ( -2.010 10.574 0.979) 10.808 10.144 ( -0.392 -7.806 -2.392) 8.173 10.144 ( -0.392 7.806 -2.392) 8.173 10.457 ( -1.678 -5.558 -1.266) 5.942 10.457 ( -1.678 5.558 -1.266) 5.942 10.657 ( 2.940 -4.898 1.598) 5.932 10.657 ( 2.940 4.898 1.598) 5.932 10.825 ( -1.508 -3.201 0.121) 3.540 10.825 ( -1.508 3.201 0.121) 3.540 11.011 ( 0.446 -5.443 1.257) 5.604 11.011 ( 0.446 5.443 1.257) 5.604 12.681 ( 0.836 -4.340 -0.300) 4.430 12.681 ( 0.836 4.340 -0.300) 4.430 12.808 ( 1.576 -3.811 -0.094) 4.125 12.808 ( 1.576 3.811 -0.094) 4.125 14.060 ( -1.984 -0.433 0.134) 2.035 14.060 ( -1.984 0.433 0.134) 2.035 14.271 ( -1.303 -2.570 -1.014) 3.055 14.271 ( -1.303 2.570 -1.014) 3.055 14.648 ( 1.746 -0.522 0.757) 1.973 14.648 ( 1.746 0.523 0.757) 1.973 15.336 ( -3.713 -3.273 0.273) 4.957 15.336 ( -3.713 3.273 0.273) 4.957 15.725 ( -4.764 -2.551 -0.008) 5.404 15.725 ( -4.764 2.551 -0.008) 5.404 15.880 ( 0.637 -0.491 -0.149) 0.818 15.880 ( 0.637 0.491 -0.149) 0.818 15.924 ( 0.963 -2.894 -0.052) 3.051 15.924 ( 0.963 2.894 -0.052) 3.051 16.218 ( 1.251 -3.736 0.140) 3.943 16.218 ( 1.251 3.737 0.140) 3.943 16.792 ( 0.919 -2.205 -0.384) 2.420 16.792 ( 0.919 2.205 -0.384) 2.420 16.838 ( 1.077 -0.949 -1.116) 1.818 16.838 ( 1.077 0.949 -1.116) 1.818 17.857 ( -2.372 -3.801 0.650) 4.528 17.857 ( -2.372 3.801 0.650) 4.528 18.009 ( -3.218 -2.285 0.792) 4.026 18.009 ( -3.218 2.285 0.792) 4.026 21.714 ( -0.820 -3.106 0.682) 3.284 21.714 ( -0.820 3.106 0.682) 3.284 21.857 ( -4.197 -1.574 -0.353) 4.497 21.857 ( -4.197 1.574 -0.353) 4.497 27.250 ( -2.893 -0.434 -1.205) 3.164 27.250 ( -2.893 0.434 -1.205) 3.164 27.641 ( -11.409 -0.359 1.178) 11.475 27.641 ( -11.409 0.359 1.178) 11.475 28.818 ( 1.050 -0.393 -0.437) 1.204 28.818 ( 1.050 0.393 -0.437) 1.204 29.064 ( -3.277 -0.487 0.147) 3.316 29.064 ( -3.277 0.487 0.147) 3.316 29.974 ( -1.485 -0.252 -0.910) 1.760 29.974 ( -1.485 0.252 -0.910) 1.760 30.339 ( -7.195 -0.950 0.310) 7.264 30.339 ( -7.195 0.950 0.310) 7.264 30.717 ( 3.444 -2.449 1.274) 4.414 30.717 ( 3.444 2.449 1.274) 4.414 31.190 ( 1.470 -1.238 -0.044) 1.922 31.190 ( 1.470 1.238 -0.044) 1.922 31.591 ( 0.292 -2.076 -0.704) 2.211 31.591 ( 0.292 2.076 -0.704) 2.211 31.920 ( 4.714 -5.893 1.907) 7.783 31.920 ( 4.714 5.893 1.907) 7.783 32.666 ( 8.571 -13.193 -6.145) 16.891 32.666 ( 8.571 13.193 -6.145) 16.891 32.958 ( 8.566 -9.289 3.845) 13.208 32.958 ( 8.566 9.289 3.845) 13.208 33.871 ( -2.112 -5.283 3.173) 6.515 33.871 ( -2.112 5.283 3.173) 6.515 34.128 ( 4.358 -8.797 -2.720) 10.187 34.128 ( 4.358 8.797 -2.720) 10.187 ======================= Grid point 113 (58/88) ======================= q-point: ( 0.30 -0.50 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 12.955 -3.508 4.257) 14.081 1.959 ( 12.955 3.508 4.257) 14.081 2.230 ( 5.844 -5.266 -6.482) 10.193 2.230 ( 5.844 5.266 -6.482) 10.193 2.524 ( 6.893 -10.555 3.318) 13.036 2.524 ( 6.893 10.555 3.318) 13.036 2.713 ( 7.778 -5.174 -6.044) 11.126 2.713 ( 7.778 5.174 -6.044) 11.126 3.080 ( -1.827 -2.455 -0.792) 3.162 3.080 ( -1.827 2.455 -0.792) 3.162 3.142 ( 0.463 -5.836 2.978) 6.568 3.142 ( 0.463 5.836 2.978) 6.568 3.308 ( 2.840 -1.503 -0.531) 3.257 3.308 ( 2.840 1.503 -0.531) 3.257 3.484 ( -1.259 -3.877 -0.038) 4.076 3.484 ( -1.259 3.877 -0.038) 4.076 3.590 ( -2.177 -4.098 3.559) 5.847 3.590 ( -2.177 4.098 3.559) 5.847 3.700 ( -0.215 -2.957 -0.946) 3.112 3.700 ( -0.215 2.957 -0.946) 3.112 3.976 ( 5.097 -4.414 -1.764) 6.970 3.976 ( 5.097 4.414 -1.764) 6.970 4.209 ( 1.403 -1.661 1.590) 2.693 4.209 ( 1.403 1.661 1.590) 2.693 4.361 ( 6.718 -6.922 1.179) 9.718 4.361 ( 6.718 6.922 1.179) 9.718 4.542 ( 3.920 -5.159 -2.326) 6.885 4.542 ( 3.920 5.159 -2.326) 6.885 4.855 ( 5.246 -5.358 -1.711) 7.691 4.855 ( 5.246 5.358 -1.711) 7.691 5.003 ( 0.867 -7.102 -3.293) 7.876 5.003 ( 0.867 7.102 -3.293) 7.876 5.160 ( 0.707 -3.155 4.923) 5.890 5.160 ( 0.707 3.155 4.923) 5.890 5.357 ( -2.993 -7.439 2.497) 8.398 5.357 ( -2.993 7.439 2.497) 8.398 5.475 ( 3.406 -1.748 0.367) 3.846 5.475 ( 3.406 1.748 0.367) 3.846 5.589 ( 3.123 -6.801 -1.176) 7.576 5.589 ( 3.123 6.801 -1.176) 7.576 5.908 ( 1.518 -3.576 0.504) 3.918 5.908 ( 1.518 3.576 0.504) 3.918 6.129 ( -0.945 -1.586 -1.946) 2.683 6.129 ( -0.945 1.586 -1.946) 2.683 6.585 ( -0.887 -1.706 1.162) 2.246 6.585 ( -0.887 1.706 1.162) 2.246 6.925 ( -2.200 -6.370 -1.417) 6.887 6.925 ( -2.200 6.370 -1.417) 6.887 7.443 ( -0.046 -6.161 -2.867) 6.796 7.443 ( -0.046 6.161 -2.867) 6.796 7.777 ( -2.666 -7.090 2.665) 8.030 7.777 ( -2.666 7.090 2.665) 8.030 8.099 ( -1.297 -3.252 -0.402) 3.524 8.099 ( -1.297 3.252 -0.402) 3.524 8.286 ( -3.004 -1.472 0.836) 3.448 8.286 ( -3.004 1.472 0.836) 3.448 8.644 ( -1.300 -5.676 5.726) 8.167 8.644 ( -1.300 5.676 5.726) 8.167 8.907 ( 1.177 -8.289 -5.105) 9.806 8.907 ( 1.177 8.289 -5.105) 9.806 9.957 ( -2.482 -9.735 0.959) 10.092 9.957 ( -2.482 9.735 0.959) 10.092 10.128 ( 0.292 -7.428 -1.588) 7.601 10.128 ( 0.292 7.428 -1.588) 7.601 10.418 ( -1.482 -3.823 -0.287) 4.110 10.418 ( -1.482 3.823 -0.287) 4.110 10.688 ( -0.061 -5.754 -0.350) 5.765 10.688 ( -0.061 5.754 -0.350) 5.765 10.811 ( 0.189 -2.580 -0.239) 2.598 10.811 ( 0.189 2.580 -0.239) 2.598 11.031 ( 0.094 -5.693 1.539) 5.898 11.031 ( 0.094 5.693 1.539) 5.898 12.694 ( 0.617 -3.851 0.061) 3.901 12.694 ( 0.617 3.851 0.061) 3.901 12.837 ( 1.599 -3.330 -0.321) 3.708 12.837 ( 1.599 3.330 -0.321) 3.708 14.028 ( -1.553 -0.606 0.558) 1.758 14.028 ( -1.553 0.606 0.558) 1.758 14.249 ( -0.105 -3.497 -1.355) 3.752 14.249 ( -0.105 3.497 -1.355) 3.752 14.706 ( 3.560 -0.848 1.403) 3.919 14.706 ( 3.560 0.848 1.403) 3.919 15.242 ( -6.206 -2.870 -0.479) 6.854 15.242 ( -6.206 2.870 -0.479) 6.854 15.658 ( -2.558 -2.950 0.883) 4.004 15.658 ( -2.558 2.950 0.883) 4.004 15.898 ( 1.242 -1.222 -0.044) 1.743 15.898 ( 1.242 1.222 -0.044) 1.743 15.945 ( 1.116 -2.721 -0.038) 2.942 15.945 ( 1.116 2.721 -0.038) 2.942 16.230 ( 0.192 -2.998 -0.335) 3.023 16.230 ( 0.192 2.998 -0.335) 3.023 16.787 ( 0.206 -3.200 -2.021) 3.790 16.787 ( 0.206 3.200 -2.021) 3.790 16.865 ( 1.189 -2.607 1.135) 3.082 16.865 ( 1.189 2.607 1.135) 3.082 17.828 ( -1.075 -2.092 0.254) 2.366 17.828 ( -1.075 2.092 0.254) 2.366 17.949 ( -3.643 -2.185 0.811) 4.325 17.949 ( -3.643 2.185 0.811) 4.325 21.692 ( -1.347 -4.032 -0.741) 4.315 21.692 ( -1.347 4.032 -0.741) 4.315 21.794 ( -2.454 -3.394 0.565) 4.227 21.794 ( -2.454 3.394 0.565) 4.227 27.161 ( -3.669 -0.182 -3.785) 5.274 27.161 ( -3.669 0.182 -3.785) 5.274 27.476 ( -8.425 -0.534 4.082) 9.377 27.476 ( -8.425 0.534 4.082) 9.377 28.834 ( 1.217 -0.298 -0.823) 1.499 28.834 ( 1.217 0.298 -0.823) 1.499 29.011 ( -2.683 -0.310 0.540) 2.754 29.011 ( -2.683 0.310 0.540) 2.754 29.942 ( -0.551 -1.255 -1.721) 2.201 29.942 ( -0.551 1.255 -1.721) 2.201 30.217 ( -5.929 -2.122 0.660) 6.332 30.217 ( -5.929 2.122 0.660) 6.332 30.806 ( 4.799 -3.357 1.146) 5.968 30.806 ( 4.799 3.357 1.146) 5.968 31.204 ( -0.052 -3.189 -0.259) 3.199 31.204 ( -0.052 3.189 -0.259) 3.199 31.617 ( 1.703 -2.771 1.953) 3.794 31.617 ( 1.703 2.771 1.953) 3.794 31.950 ( -1.349 -5.914 -1.273) 6.198 31.950 ( -1.349 5.914 -1.273) 6.198 32.794 ( 8.591 -12.375 -3.386) 15.440 32.794 ( 8.591 12.375 -3.386) 15.440 33.109 ( 4.766 -11.280 2.039) 12.414 33.109 ( 4.766 11.280 2.039) 12.414 33.868 ( -0.163 -7.397 1.875) 7.633 33.868 ( -0.163 7.397 1.875) 7.633 34.209 ( 5.365 -9.720 -1.263) 11.174 34.209 ( 5.365 9.720 -1.263) 11.174 ======================= Grid point 115 (59/88) ======================= q-point: ( 0.40 -0.50 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 7.577 -5.950 0.102) 9.635 2.183 ( 7.577 5.950 0.102) 9.635 2.304 ( 5.409 -6.467 0.984) 8.488 2.304 ( 5.409 6.467 0.984) 8.488 2.706 ( 10.055 -7.217 -1.724) 12.496 2.706 ( 10.055 7.217 -1.724) 12.496 2.830 ( 7.073 -4.652 -1.322) 8.568 2.830 ( 7.073 4.652 -1.322) 8.568 3.035 ( -3.503 -3.493 4.120) 6.438 3.035 ( -3.503 3.493 4.120) 6.438 3.143 ( 0.003 -3.568 -0.941) 3.690 3.143 ( 0.003 3.568 -0.941) 3.690 3.279 ( -5.052 -6.127 -1.301) 8.047 3.279 ( -5.052 6.127 -1.301) 8.047 3.452 ( -2.743 -3.585 -1.247) 4.683 3.452 ( -2.743 3.585 -1.247) 4.683 3.545 ( -3.676 -3.249 2.912) 5.706 3.545 ( -3.676 3.249 2.912) 5.706 3.731 ( 4.013 -1.282 -1.614) 4.511 3.731 ( 4.013 1.282 -1.614) 4.511 4.037 ( 3.290 -1.907 -0.431) 3.827 4.037 ( 3.290 1.907 -0.431) 3.827 4.206 ( -3.049 -5.408 4.897) 7.907 4.206 ( -3.049 5.408 4.897) 7.907 4.492 ( 6.925 -7.336 -2.258) 10.338 4.492 ( 6.925 7.337 -2.258) 10.338 4.603 ( 0.990 -0.767 -0.966) 1.581 4.603 ( 0.990 0.767 -0.966) 1.581 4.819 ( -4.613 -3.943 -1.599) 6.276 4.819 ( -4.613 3.943 -1.599) 6.276 4.952 ( -1.970 -2.508 -0.231) 3.197 4.952 ( -1.970 2.508 -0.231) 3.197 5.285 ( -0.954 -8.012 2.055) 8.326 5.285 ( -0.954 8.012 2.055) 8.326 5.318 ( 4.865 -4.901 0.722) 6.943 5.318 ( 4.865 4.901 0.722) 6.943 5.521 ( 2.620 -8.387 -4.440) 9.845 5.521 ( 2.620 8.387 -4.440) 9.845 5.703 ( 5.921 -2.251 2.632) 6.860 5.703 ( 5.921 2.251 2.632) 6.860 5.935 ( 0.452 -3.873 2.318) 4.536 5.935 ( 0.452 3.873 2.318) 4.536 6.122 ( 2.013 -2.245 -2.997) 4.251 6.122 ( 2.013 2.245 -2.997) 4.251 6.596 ( 0.783 -0.795 1.340) 1.744 6.596 ( 0.783 0.795 1.340) 1.744 6.895 ( -0.609 -5.091 -0.036) 5.127 6.895 ( -0.609 5.091 -0.036) 5.127 7.423 ( 0.117 -4.213 -2.514) 4.907 7.423 ( 0.117 4.213 -2.514) 4.907 7.748 ( -2.002 -6.970 1.622) 7.431 7.748 ( -2.002 6.970 1.622) 7.431 8.060 ( -1.740 -2.521 -1.272) 3.317 8.060 ( -1.740 2.521 -1.272) 3.317 8.235 ( -2.676 -1.859 0.871) 3.373 8.235 ( -2.676 1.859 0.871) 3.373 8.663 ( -1.771 -5.220 5.652) 7.895 8.663 ( -1.771 5.220 5.652) 7.895 8.889 ( 1.364 -6.013 -4.985) 7.929 8.889 ( 1.364 6.013 -4.985) 7.929 9.918 ( -2.266 -7.974 0.649) 8.315 9.918 ( -2.266 7.974 0.649) 8.315 10.129 ( 0.791 -6.418 -1.317) 6.599 10.129 ( 0.791 6.418 -1.317) 6.599 10.409 ( -0.220 -1.744 2.709) 3.230 10.409 ( -0.220 1.744 2.709) 3.230 10.672 ( -0.622 -4.817 -0.807) 4.924 10.672 ( -0.622 4.817 -0.807) 4.924 10.813 ( 0.312 -3.777 -1.350) 4.023 10.813 ( 0.312 3.777 -1.350) 4.023 11.031 ( -0.648 -6.289 -0.105) 6.323 11.031 ( -0.648 6.289 -0.105) 6.323 12.703 ( 0.219 -2.259 0.070) 2.271 12.703 ( 0.219 2.259 0.070) 2.271 12.862 ( 1.176 -1.974 -0.041) 2.299 12.862 ( 1.176 1.974 -0.041) 2.299 14.012 ( -0.766 -0.964 0.971) 1.568 14.012 ( -0.766 0.964 0.971) 1.568 14.243 ( 0.406 -3.724 -1.448) 4.016 14.243 ( 0.406 3.724 -1.448) 4.016 14.799 ( 4.731 -0.836 1.709) 5.100 14.799 ( 4.731 0.836 1.709) 5.100 15.110 ( -6.608 -1.693 -0.721) 6.859 15.110 ( -6.608 1.693 -0.721) 6.859 15.632 ( -1.079 -2.250 0.458) 2.538 15.632 ( -1.079 2.250 0.458) 2.538 15.920 ( 1.024 -2.554 -0.127) 2.755 15.920 ( 1.024 2.554 -0.127) 2.755 15.961 ( 0.600 -2.393 -0.036) 2.467 15.961 ( 0.600 2.393 -0.036) 2.467 16.226 ( -0.064 -1.433 -0.829) 1.657 16.226 ( -0.064 1.433 -0.829) 1.657 16.784 ( 0.669 -2.058 -0.211) 2.175 16.784 ( 0.669 2.058 -0.211) 2.175 16.886 ( 0.206 -2.086 0.534) 2.163 16.886 ( 0.206 2.086 0.534) 2.163 17.817 ( -0.212 -1.573 -0.136) 1.593 17.817 ( -0.212 1.573 -0.136) 1.593 17.893 ( -2.633 -1.722 0.394) 3.171 17.893 ( -2.633 1.722 0.394) 3.171 21.664 ( -0.858 -2.637 -0.625) 2.843 21.664 ( -0.858 2.637 -0.625) 2.843 21.768 ( -1.011 -2.286 0.366) 2.526 21.768 ( -1.011 2.286 0.366) 2.526 27.091 ( -1.209 -0.232 -0.730) 1.432 27.091 ( -1.209 0.232 -0.730) 1.432 27.369 ( -5.460 -0.873 0.831) 5.592 27.369 ( -5.460 0.873 0.831) 5.592 28.853 ( 1.335 -0.179 -0.631) 1.487 28.853 ( 1.335 0.179 -0.631) 1.487 28.971 ( -1.955 -0.110 0.542) 2.032 28.971 ( -1.955 0.110 0.542) 2.032 29.933 ( 0.667 -1.409 -0.651) 1.690 29.933 ( 0.667 1.409 -0.651) 1.690 30.130 ( -3.835 -1.982 0.316) 4.328 30.130 ( -3.835 1.982 0.316) 4.328 30.905 ( 4.232 -3.740 1.575) 5.864 30.905 ( 4.232 3.740 1.575) 5.864 31.180 ( -1.648 -3.513 -1.438) 4.138 31.180 ( -1.648 3.513 -1.438) 4.138 31.673 ( 1.719 -2.254 2.943) 4.086 31.673 ( 1.719 2.254 2.943) 4.086 31.887 ( -2.730 -3.902 -2.194) 5.243 31.887 ( -2.730 3.902 -2.194) 5.243 32.913 ( 5.445 -11.015 -1.430) 12.370 32.913 ( 5.445 11.015 -1.430) 12.370 33.173 ( 1.381 -10.542 0.381) 10.638 33.173 ( 1.381 10.542 0.381) 10.638 33.887 ( 0.490 -7.810 1.341) 7.939 33.887 ( 0.490 7.810 1.341) 7.939 34.290 ( 3.692 -8.810 -0.810) 9.586 34.290 ( 3.692 8.810 -0.810) 9.586 ======================= Grid point 117 (60/88) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( 3.227 -0.876 2.290) 4.052 2.302 ( 3.227 0.876 2.289) 4.052 2.346 ( -1.834 -5.327 0.580) 5.664 2.346 ( -1.834 5.327 0.580) 5.664 2.784 ( -2.603 -4.569 -0.554) 5.287 2.784 ( -2.603 4.569 -0.554) 5.287 2.936 ( -0.539 -2.357 2.195) 3.265 2.936 ( -0.539 2.357 2.195) 3.265 3.019 ( 3.870 -2.005 -2.421) 4.986 3.019 ( 3.870 2.005 -2.421) 4.986 3.157 ( 1.495 -3.147 -0.315) 3.498 3.157 ( 1.495 3.147 -0.315) 3.498 3.226 ( 2.348 -1.414 0.752) 2.843 3.226 ( 2.348 1.414 0.752) 2.843 3.354 ( -4.243 -8.584 0.496) 9.588 3.354 ( -4.243 8.584 0.496) 9.588 3.506 ( -1.937 -1.151 0.401) 2.289 3.506 ( -1.937 1.151 0.401) 2.289 3.790 ( 2.211 -1.001 -2.339) 3.371 3.790 ( 2.211 1.001 -2.339) 3.371 4.094 ( 1.099 -3.881 2.104) 4.549 4.094 ( 1.099 3.881 2.104) 4.549 4.177 ( -3.431 -12.631 2.627) 13.350 4.177 ( -3.431 12.631 2.627) 13.350 4.517 ( -0.770 -1.187 -2.732) 3.077 4.517 ( -0.770 1.187 -2.732) 3.077 4.622 ( 3.107 -3.687 1.952) 5.201 4.622 ( 3.107 3.687 1.952) 5.201 4.781 ( 0.120 -2.404 -2.654) 3.583 4.781 ( 0.120 2.404 -2.654) 3.583 4.931 ( 1.489 -3.208 -0.581) 3.584 4.931 ( 1.489 3.208 -0.581) 3.584 5.209 ( -4.035 -6.786 -0.943) 7.951 5.209 ( -4.035 6.786 -0.943) 7.951 5.438 ( -0.475 -5.971 1.358) 6.142 5.438 ( -0.475 5.971 1.358) 6.142 5.512 ( 2.464 -2.835 -1.349) 3.991 5.512 ( 2.464 2.836 -1.349) 3.991 5.757 ( -1.359 -4.492 -0.992) 4.796 5.757 ( -1.359 4.492 -0.992) 4.796 5.952 ( -2.450 -6.844 3.737) 8.174 5.952 ( -2.450 6.844 3.737) 8.174 6.155 ( 3.526 -5.525 -2.372) 6.970 6.155 ( 3.526 5.525 -2.372) 6.970 6.613 ( -0.444 -0.270 1.169) 1.279 6.613 ( -0.444 0.270 1.169) 1.279 6.895 ( 0.338 -2.965 0.527) 3.030 6.895 ( 0.338 2.965 0.527) 3.030 7.413 ( 0.848 -1.507 -2.203) 2.800 7.413 ( 0.848 1.507 -2.203) 2.800 7.733 ( -0.636 -4.880 1.218) 5.070 7.733 ( -0.636 4.880 1.218) 5.070 8.027 ( -0.336 -1.750 -1.602) 2.397 8.027 ( -0.336 1.750 -1.602) 2.397 8.215 ( 0.169 -3.212 0.758) 3.305 8.215 ( 0.169 3.212 0.758) 3.305 8.657 ( -3.081 -2.544 4.669) 6.145 8.657 ( -3.081 2.544 4.669) 6.145 8.892 ( 2.712 -2.917 -4.062) 5.688 8.892 ( 2.712 2.917 -4.062) 5.688 9.891 ( -0.666 -7.051 0.180) 7.084 9.891 ( -0.666 7.051 0.180) 7.084 10.131 ( 0.533 -4.260 -1.312) 4.489 10.131 ( 0.533 4.260 -1.312) 4.489 10.452 ( 1.048 -1.413 5.681) 5.947 10.452 ( 1.048 1.413 5.681) 5.947 10.660 ( 0.202 -4.561 -1.399) 4.775 10.660 ( 0.202 4.561 -1.399) 4.775 10.794 ( -0.779 -4.843 -2.604) 5.554 10.794 ( -0.779 4.843 -2.604) 5.554 11.013 ( -0.469 -7.162 -0.924) 7.237 11.013 ( -0.469 7.162 -0.924) 7.237 12.703 ( -0.104 -0.359 -0.061) 0.379 12.703 ( -0.104 0.359 -0.061) 0.379 12.876 ( 0.200 -0.553 0.209) 0.624 12.876 ( 0.200 0.553 0.209) 0.624 14.012 ( -0.120 -1.046 1.167) 1.572 14.012 ( -0.120 1.046 1.167) 1.572 14.239 ( 0.372 -3.134 -1.503) 3.495 14.239 ( 0.372 3.134 -1.503) 3.495 14.869 ( -0.969 -1.457 1.819) 2.524 14.869 ( -0.969 1.457 1.819) 2.524 15.030 ( 0.947 -1.619 -0.656) 1.987 15.030 ( 0.947 1.619 -0.656) 1.987 15.618 ( -0.440 -1.046 -0.119) 1.141 15.618 ( -0.440 1.046 -0.119) 1.141 15.931 ( 0.083 -2.772 -0.156) 2.777 15.931 ( 0.083 2.772 -0.156) 2.777 15.965 ( -0.227 -1.592 -0.031) 1.608 15.965 ( -0.227 1.592 -0.031) 1.608 16.218 ( 0.087 -0.874 -0.991) 1.325 16.218 ( 0.087 0.874 -0.991) 1.325 16.810 ( 1.243 -1.205 1.496) 2.288 16.810 ( 1.243 1.206 1.496) 2.288 16.879 ( -0.792 -1.031 -0.542) 1.409 16.879 ( -0.792 1.031 -0.542) 1.409 17.815 ( -0.057 -0.908 -0.161) 0.924 17.815 ( -0.057 0.908 -0.161) 0.924 17.865 ( -0.283 -1.475 0.071) 1.504 17.865 ( -0.283 1.475 0.071) 1.504 21.653 ( 0.096 -0.608 -0.325) 0.696 21.653 ( 0.096 0.608 -0.325) 0.696 21.759 ( -0.083 -0.479 0.083) 0.493 21.759 ( -0.083 0.479 0.083) 0.493 27.114 ( 2.653 -0.214 2.885) 3.925 27.114 ( 2.653 0.214 2.885) 3.925 27.281 ( -2.745 -0.750 -2.921) 4.078 27.281 ( -2.745 0.750 -2.921) 4.078 28.869 ( 0.550 -0.087 -0.411) 0.692 28.869 ( 0.550 0.087 -0.411) 0.692 28.950 ( -0.480 -0.130 0.442) 0.665 28.950 ( -0.480 0.130 0.442) 0.665 29.954 ( 1.148 -1.420 0.638) 1.935 29.954 ( 1.148 1.420 0.638) 1.935 30.081 ( -0.832 -0.525 -0.546) 1.125 30.081 ( -0.832 0.525 -0.546) 1.125 30.963 ( -0.757 -1.370 2.586) 3.023 30.963 ( -0.757 1.370 2.586) 3.023 31.142 ( 0.386 -1.027 -2.781) 2.990 31.142 ( 0.386 1.027 -2.781) 2.990 31.700 ( -1.135 -2.427 2.082) 3.393 31.700 ( -1.135 2.427 2.082) 3.393 31.857 ( 1.221 -1.215 -1.086) 2.037 31.857 ( 1.221 1.216 -1.086) 2.037 32.966 ( 1.071 -9.631 -0.875) 9.730 32.966 ( 1.071 9.631 -0.875) 9.730 33.178 ( -0.624 -8.383 -0.327) 8.413 33.178 ( -0.624 8.383 -0.327) 8.413 33.894 ( -1.076 -6.543 1.239) 6.745 33.894 ( -1.076 6.543 1.239) 6.745 34.326 ( 0.697 -7.878 -0.754) 7.945 34.326 ( 0.697 7.878 -0.754) 7.945 ======================= Grid point 119 (61/88) ======================= q-point: (-0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( -12.366 -8.582 0.543) 15.062 2.163 ( -12.366 8.582 0.543) 15.062 2.404 ( 0.500 -4.118 0.776) 4.221 2.404 ( 0.500 4.118 0.776) 4.221 2.611 ( -12.198 -5.872 -1.937) 13.676 2.611 ( -12.198 5.872 -1.937) 13.676 2.902 ( -1.115 -1.952 0.362) 2.277 2.902 ( -1.115 1.952 0.362) 2.277 3.068 ( 1.525 -4.567 -0.978) 4.913 3.068 ( 1.525 4.567 -0.978) 4.913 3.142 ( -5.389 -2.332 2.366) 6.331 3.142 ( -5.389 2.332 2.366) 6.331 3.327 ( 5.428 -5.078 -1.530) 7.589 3.327 ( 5.428 5.078 -1.530) 7.589 3.371 ( 2.991 -9.652 0.086) 10.105 3.371 ( 2.991 9.652 0.086) 10.105 3.517 ( 4.468 -0.664 1.446) 4.743 3.517 ( 4.468 0.664 1.446) 4.743 3.759 ( -2.535 -2.858 -1.240) 4.016 3.759 ( -2.535 2.858 -1.240) 4.016 4.066 ( -3.981 -8.487 -0.820) 9.410 4.066 ( -3.981 8.487 -0.820) 9.410 4.179 ( 1.558 -5.229 4.807) 7.272 4.179 ( 1.558 5.229 4.807) 7.272 4.493 ( -3.797 -1.127 -0.434) 3.985 4.493 ( -3.797 1.127 -0.434) 3.985 4.671 ( 1.957 -4.215 -3.114) 5.594 4.671 ( 1.957 4.215 -3.114) 5.594 4.771 ( 1.483 -9.625 -0.295) 9.743 4.771 ( 1.483 9.625 -0.295) 9.743 4.996 ( 4.383 -3.402 -2.392) 6.042 4.996 ( 4.383 3.402 -2.392) 6.042 5.147 ( -2.787 -5.310 3.042) 6.724 5.147 ( -2.787 5.310 3.042) 6.724 5.332 ( -7.625 -8.040 0.956) 11.122 5.332 ( -7.625 8.040 0.956) 11.122 5.540 ( -1.806 -1.957 -3.562) 4.447 5.540 ( -1.806 1.957 -3.562) 4.447 5.712 ( -1.819 -0.129 2.466) 3.068 5.712 ( -1.819 0.129 2.466) 3.068 5.890 ( -4.798 -4.773 1.156) 6.866 5.890 ( -4.798 4.773 1.156) 6.866 6.184 ( 0.830 -7.247 -2.162) 7.608 6.184 ( 0.830 7.247 -2.162) 7.608 6.600 ( -1.449 -1.103 1.478) 2.345 6.600 ( -1.449 1.103 1.478) 2.345 6.911 ( 1.030 -2.508 -0.000) 2.711 6.911 ( 1.030 2.508 -0.000) 2.711 7.418 ( 1.491 -0.863 -2.624) 3.139 7.418 ( 1.491 0.863 -2.624) 3.139 7.747 ( 0.864 -1.016 1.802) 2.242 7.747 ( 0.864 1.016 1.802) 2.242 8.025 ( 1.226 -1.724 -1.268) 2.467 8.025 ( 1.226 1.724 -1.268) 2.467 8.254 ( 3.224 -5.334 0.776) 6.281 8.254 ( 3.224 5.334 0.776) 6.281 8.632 ( -3.020 -1.147 4.570) 5.596 8.632 ( -3.020 1.147 4.570) 5.596 8.917 ( 2.697 -5.387 -3.929) 7.192 8.917 ( 2.697 5.387 -3.929) 7.192 9.901 ( 1.315 -7.130 0.585) 7.273 9.901 ( 1.315 7.130 0.585) 7.273 10.133 ( 0.877 -1.553 -1.182) 2.140 10.133 ( 0.877 1.553 -1.182) 2.140 10.518 ( 0.774 -2.040 5.809) 6.205 10.518 ( 0.774 2.040 5.809) 6.205 10.646 ( -0.054 -3.848 -3.987) 5.542 10.646 ( -0.054 3.848 -3.987) 5.542 10.755 ( -0.906 -6.815 -1.502) 7.037 10.755 ( -0.906 6.815 -1.502) 7.037 11.009 ( 0.509 -7.061 0.061) 7.080 11.009 ( 0.509 7.061 0.061) 7.080 12.701 ( -0.160 -1.933 0.062) 1.941 12.701 ( -0.160 1.933 0.062) 1.941 12.869 ( -1.063 -1.702 -0.036) 2.007 12.869 ( -1.063 1.702 -0.036) 2.007 14.025 ( 0.528 -1.333 1.088) 1.800 14.025 ( 0.528 1.333 1.088) 1.800 14.233 ( 0.266 -1.941 -1.556) 2.502 14.233 ( 0.266 1.941 -1.556) 2.502 14.806 ( -5.036 -3.137 1.703) 6.172 14.806 ( -5.036 3.137 1.703) 6.172 15.117 ( 6.632 -2.551 -0.716) 7.142 15.117 ( 6.632 2.551 -0.716) 7.142 15.622 ( 0.962 -1.367 0.445) 1.730 15.622 ( 0.962 1.367 0.445) 1.730 15.920 ( -0.973 -1.892 -0.152) 2.133 15.920 ( -0.973 1.892 -0.152) 2.133 15.954 ( -0.872 -1.499 -0.034) 1.734 15.954 ( -0.872 1.499 -0.034) 1.734 16.215 ( 0.240 -2.453 -0.766) 2.581 16.215 ( 0.240 2.453 -0.766) 2.581 16.821 ( -1.283 -0.962 -0.650) 1.731 16.821 ( -1.283 0.962 -0.650) 1.731 16.876 ( 0.913 -1.967 0.935) 2.362 16.876 ( 0.913 1.967 0.935) 2.362 17.809 ( -0.227 -1.995 -0.100) 2.011 17.809 ( -0.227 1.995 -0.100) 2.011 17.889 ( 2.488 -1.483 0.361) 2.919 17.889 ( 2.488 1.483 0.361) 2.919 21.657 ( 0.454 -2.591 -0.587) 2.695 21.657 ( 0.454 2.591 -0.587) 2.695 21.770 ( 1.312 -2.932 0.327) 3.229 21.770 ( 1.312 2.932 0.327) 3.229 27.171 ( -0.257 -0.162 -1.792) 1.818 27.171 ( -0.257 0.162 -1.792) 1.818 27.287 ( 6.915 -0.366 1.892) 7.179 27.287 ( 6.915 0.366 1.892) 7.179 28.859 ( -1.040 -0.563 -0.686) 1.367 28.859 ( -1.040 0.563 -0.686) 1.367 28.967 ( 1.694 -0.321 0.595) 1.824 28.967 ( 1.694 0.321 0.595) 1.824 29.958 ( -0.757 -1.185 -0.789) 1.613 29.958 ( -0.757 1.185 -0.789) 1.613 30.113 ( 4.150 -0.848 0.456) 4.260 30.113 ( 4.150 0.848 0.456) 4.260 30.909 ( -5.707 -1.962 1.697) 6.269 30.909 ( -5.707 1.962 1.697) 6.269 31.162 ( 2.536 -4.319 -1.527) 5.236 31.162 ( 2.536 4.319 -1.527) 5.236 31.692 ( -1.210 -2.448 3.176) 4.189 31.692 ( -1.210 2.448 3.176) 4.189 31.884 ( 2.063 -4.170 -2.459) 5.262 31.884 ( 2.063 4.170 -2.459) 5.262 32.938 ( -3.064 -5.906 -1.653) 6.856 32.938 ( -3.064 5.906 -1.653) 6.856 33.149 ( -2.610 -4.913 0.598) 5.595 33.149 ( -2.610 4.913 0.598) 5.595 33.866 ( -2.653 -5.075 1.268) 5.865 33.866 ( -2.653 5.075 1.268) 5.865 34.306 ( -2.083 -8.951 -0.731) 9.219 34.306 ( -2.083 8.951 -0.731) 9.219 ======================= Grid point 121 (62/88) ======================= q-point: (-0.30 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( -11.446 -9.046 3.572) 15.020 1.942 ( -11.446 9.046 3.572) 15.020 2.228 ( -14.289 -5.180 -5.083) 16.026 2.228 ( -14.289 5.180 -5.083) 16.026 2.498 ( -0.518 -2.397 0.895) 2.611 2.498 ( -0.518 2.397 0.895) 2.611 2.822 ( -7.374 -4.583 -6.320) 10.738 2.822 ( -7.374 4.583 -6.320) 10.738 3.019 ( -8.371 -4.905 3.159) 10.203 3.019 ( -8.371 4.905 3.159) 10.203 3.101 ( 2.123 -4.389 0.592) 4.911 3.101 ( 2.123 4.389 0.592) 4.911 3.332 ( 0.003 -2.802 0.830) 2.922 3.332 ( 0.003 2.802 0.830) 2.922 3.472 ( 5.549 -6.926 -1.215) 8.957 3.472 ( 5.549 6.926 -1.215) 8.957 3.607 ( -1.038 -1.654 3.253) 3.794 3.607 ( -1.038 1.654 3.253) 3.794 3.711 ( -1.915 -0.827 -0.152) 2.092 3.711 ( -1.915 0.827 -0.152) 2.092 4.021 ( 0.917 -7.268 -2.079) 7.614 4.021 ( 0.917 7.268 -2.079) 7.614 4.218 ( -3.699 -4.562 1.324) 6.021 4.218 ( -3.699 4.562 1.324) 6.021 4.346 ( -8.666 -4.798 1.273) 9.987 4.346 ( -8.666 4.798 1.273) 9.987 4.662 ( 1.668 -3.437 -4.782) 6.120 4.662 ( 1.668 3.437 -4.782) 6.120 4.794 ( -2.931 -9.249 2.169) 9.942 4.794 ( -2.931 9.249 2.169) 9.942 4.953 ( -3.734 -4.471 -5.004) 7.680 4.953 ( -3.734 4.471 -5.004) 7.680 5.180 ( -0.051 -4.466 7.139) 8.421 5.180 ( -0.051 4.466 7.139) 8.421 5.249 ( -1.616 -6.809 2.062) 7.295 5.249 ( -1.616 6.809 2.062) 7.295 5.437 ( -4.653 -3.784 -2.334) 6.435 5.437 ( -4.653 3.784 -2.334) 6.435 5.682 ( -2.774 -4.903 0.405) 5.648 5.682 ( -2.774 4.903 0.405) 5.648 5.861 ( 1.596 -6.530 0.035) 6.722 5.861 ( 1.596 6.530 0.035) 6.722 6.169 ( 0.150 -4.428 -1.725) 4.754 6.169 ( 0.150 4.428 -1.725) 4.754 6.603 ( 0.866 -2.141 1.504) 2.756 6.603 ( 0.866 2.141 1.504) 2.756 6.928 ( 1.389 -2.849 -1.737) 3.614 6.928 ( 1.389 2.849 -1.737) 3.614 7.427 ( 1.820 -2.951 -2.607) 4.338 7.427 ( 1.820 2.951 -2.607) 4.338 7.791 ( 1.842 -2.472 2.518) 3.981 7.791 ( 1.842 2.472 2.518) 3.981 8.044 ( 1.093 -1.859 -0.144) 2.162 8.044 ( 1.093 1.859 -0.144) 2.162 8.337 ( 4.643 -7.437 0.460) 8.779 8.337 ( 4.643 7.437 0.460) 8.779 8.619 ( -2.315 -2.474 5.211) 6.215 8.619 ( -2.315 2.474 5.211) 6.215 8.921 ( 1.130 -7.487 -4.502) 8.809 8.921 ( 1.130 7.487 -4.502) 8.809 9.935 ( 1.108 -6.082 0.721) 6.224 9.935 ( 1.108 6.082 0.721) 6.224 10.152 ( 2.286 -0.867 -1.186) 2.717 10.152 ( 2.286 0.867 -1.186) 2.717 10.542 ( -1.149 -1.430 -1.574) 2.417 10.542 ( -1.149 1.430 -1.574) 2.417 10.610 ( -0.732 -0.282 0.493) 0.926 10.610 ( -0.732 0.282 0.493) 0.926 10.750 ( 0.540 -7.520 0.286) 7.544 10.750 ( 0.540 7.520 0.286) 7.544 11.032 ( 1.267 -5.416 1.300) 5.712 11.032 ( 1.267 5.416 1.300) 5.712 12.698 ( -0.316 -3.977 0.073) 3.991 12.698 ( -0.316 3.977 0.073) 3.991 12.839 ( -1.874 -3.454 -0.333) 3.944 12.839 ( -1.874 3.454 -0.333) 3.944 14.048 ( 1.195 -2.163 0.708) 2.570 14.048 ( 1.195 2.163 0.708) 2.570 14.229 ( 0.675 -0.868 -1.438) 1.810 14.229 ( 0.675 0.868 -1.438) 1.810 14.735 ( -3.740 -4.780 1.363) 6.220 14.735 ( -3.740 4.780 1.363) 6.220 15.234 ( 6.034 -3.304 -0.509) 6.898 15.234 ( 6.034 3.304 -0.509) 6.898 15.668 ( 3.329 -3.602 0.968) 4.999 15.668 ( 3.329 3.602 0.968) 4.999 15.897 ( -1.272 -1.720 -0.136) 2.144 15.897 ( -1.272 1.720 -0.136) 2.144 15.934 ( -1.034 -1.811 -0.005) 2.085 15.934 ( -1.034 1.811 -0.005) 2.085 16.213 ( -0.034 -3.865 -0.382) 3.884 16.213 ( -0.034 3.865 -0.382) 3.884 16.779 ( -1.813 -1.939 -1.355) 2.980 16.779 ( -1.813 1.939 -1.355) 2.980 16.899 ( 0.485 -3.868 0.470) 3.926 16.899 ( 0.485 3.868 0.470) 3.926 17.814 ( 0.774 -3.379 0.352) 3.484 17.814 ( 0.774 3.379 0.352) 3.484 17.954 ( 3.790 -0.598 0.744) 3.908 17.954 ( 3.790 0.598 0.744) 3.908 21.658 ( 0.227 -3.277 -0.530) 3.327 21.658 ( 0.227 3.277 -0.530) 3.327 21.815 ( 3.131 -3.792 0.350) 4.930 21.815 ( 3.131 3.792 0.350) 4.930 27.142 ( 0.396 -0.328 -3.335) 3.375 27.142 ( 0.396 0.328 -3.335) 3.375 27.501 ( 12.196 -0.462 3.642) 12.737 27.501 ( 12.196 0.462 3.642) 12.737 28.830 ( -1.308 -0.694 -0.771) 1.669 28.830 ( -1.308 0.694 -0.771) 1.669 29.013 ( 2.625 -0.431 0.461) 2.699 29.013 ( 2.625 0.431 0.461) 2.699 29.933 ( -0.525 -0.592 -1.614) 1.798 29.933 ( -0.525 0.592 -1.614) 1.798 30.218 ( 6.094 -2.104 0.575) 6.472 30.218 ( 6.094 2.104 0.575) 6.472 30.807 ( -5.880 -0.899 1.142) 6.057 30.807 ( -5.880 0.899 1.142) 6.057 31.190 ( 1.024 -3.470 -0.242) 3.626 31.190 ( 1.024 3.470 -0.242) 3.626 31.708 ( -0.237 -2.310 3.571) 4.260 31.708 ( -0.237 2.310 3.571) 4.260 31.878 ( -0.399 -5.267 -2.936) 6.043 31.878 ( -0.399 5.267 -2.936) 6.043 32.823 ( -6.897 -2.760 -3.908) 8.394 32.823 ( -6.897 2.760 -3.908) 8.394 33.086 ( -5.560 -1.868 2.595) 6.414 33.086 ( -5.560 1.868 2.595) 6.414 33.830 ( -1.828 -4.088 1.599) 4.755 33.830 ( -1.828 4.088 1.599) 4.755 34.246 ( -3.355 -10.829 -0.993) 11.380 34.246 ( -3.355 10.829 -0.993) 11.380 ======================= Grid point 123 (63/88) ======================= q-point: (-0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( -6.909 -3.869 7.815) 11.126 1.819 ( -6.909 3.869 7.815) 11.126 1.936 ( -10.066 -1.487 -6.185) 11.908 1.936 ( -10.066 1.487 -6.185) 11.908 2.475 ( -6.348 -3.015 -0.831) 7.076 2.475 ( -6.348 3.015 -0.831) 7.076 2.593 ( -5.911 -4.994 -5.985) 9.783 2.593 ( -5.911 4.994 -5.985) 9.783 2.916 ( -4.361 -7.618 3.593) 9.485 2.916 ( -4.361 7.618 3.593) 9.485 3.144 ( 1.182 -4.407 0.466) 4.586 3.144 ( 1.182 4.407 0.466) 4.586 3.310 ( -6.128 -2.742 0.835) 6.765 3.310 ( -6.128 2.742 0.835) 6.765 3.514 ( -3.764 -4.205 0.172) 5.646 3.514 ( -3.764 4.205 0.172) 5.646 3.558 ( 0.109 -5.556 0.969) 5.641 3.558 ( 0.109 5.556 0.969) 5.641 3.672 ( -2.434 -0.565 0.176) 2.505 3.672 ( -2.434 0.565 0.176) 2.505 4.000 ( -5.299 -9.455 -1.713) 10.973 4.000 ( -5.299 9.455 -1.713) 10.973 4.045 ( -8.014 -6.478 0.778) 10.334 4.045 ( -8.014 6.478 0.778) 10.334 4.282 ( -0.488 -1.781 -0.240) 1.862 4.282 ( -0.488 1.781 -0.240) 1.862 4.641 ( -0.614 -7.290 -7.698) 10.619 4.641 ( -0.614 7.290 -7.698) 10.619 4.702 ( -4.494 -5.594 1.885) 7.419 4.702 ( -4.494 5.594 1.885) 7.419 4.882 ( -2.091 -8.595 -1.860) 9.039 4.882 ( -2.091 8.595 -1.860) 9.039 5.172 ( -2.461 -1.210 1.829) 3.296 5.172 ( -2.461 1.210 1.829) 3.296 5.261 ( -5.258 -9.586 5.117) 12.071 5.261 ( -5.258 9.586 5.117) 12.071 5.389 ( 2.207 -6.067 2.625) 6.969 5.389 ( 2.207 6.067 2.625) 6.969 5.664 ( 0.872 -6.972 -0.787) 7.071 5.664 ( 0.872 6.972 -0.787) 7.071 5.906 ( 3.084 -11.047 -1.268) 11.539 5.906 ( 3.084 11.047 -1.268) 11.539 6.181 ( 1.502 -1.384 0.159) 2.048 6.181 ( 1.502 1.384 0.159) 2.048 6.653 ( 2.588 -3.997 1.569) 5.014 6.653 ( 2.588 3.997 1.569) 5.014 6.943 ( 3.193 -1.696 -4.771) 5.986 6.943 ( 3.193 1.696 -4.771) 5.986 7.455 ( 2.750 -5.333 -0.883) 6.065 7.455 ( 2.750 5.333 -0.883) 6.065 7.841 ( 1.027 -2.752 2.179) 3.657 7.841 ( 1.027 2.752 2.179) 3.657 8.058 ( -0.008 -1.550 1.100) 1.901 8.058 ( -0.008 1.550 1.100) 1.901 8.417 ( 3.702 -8.927 -1.395) 9.764 8.417 ( 3.702 8.927 -1.395) 9.764 8.625 ( -1.616 -3.170 5.879) 6.872 8.625 ( -1.616 3.170 5.879) 6.872 8.897 ( 0.359 -7.447 -4.361) 8.638 8.897 ( 0.359 7.447 -4.361) 8.638 9.936 ( -1.319 -2.394 0.175) 2.739 9.936 ( -1.319 2.394 0.175) 2.739 10.199 ( 3.388 -2.228 -1.518) 4.330 10.199 ( 3.388 2.228 -1.518) 4.330 10.489 ( -1.107 -7.436 -3.002) 8.095 10.489 ( -1.107 7.436 -3.002) 8.095 10.611 ( -1.821 -2.182 3.403) 4.433 10.611 ( -1.821 2.182 3.403) 4.433 10.770 ( 1.299 -6.729 0.238) 6.858 10.770 ( 1.299 6.729 0.238) 6.858 11.067 ( 1.162 -3.640 0.969) 3.942 11.067 ( 1.162 3.640 0.969) 3.942 12.685 ( -1.030 -4.574 -0.301) 4.698 12.685 ( -1.030 4.574 -0.301) 4.698 12.803 ( -1.517 -4.259 -0.094) 4.522 12.803 ( -1.517 4.259 -0.094) 4.522 14.077 ( 1.343 -3.495 0.221) 3.750 14.077 ( 1.343 3.495 0.221) 3.750 14.244 ( 2.125 -0.056 -0.991) 2.346 14.244 ( 2.125 0.056 -0.991) 2.346 14.686 ( -2.317 -6.220 0.644) 6.669 14.686 ( -2.317 6.220 0.644) 6.669 15.329 ( 4.071 -3.555 0.249) 5.410 15.329 ( 4.071 3.555 0.249) 5.410 15.754 ( 4.940 -3.919 0.073) 6.307 15.754 ( 4.940 3.919 0.073) 6.307 15.875 ( -0.802 -1.635 -0.282) 1.843 15.875 ( -0.802 1.635 -0.282) 1.843 15.919 ( -0.584 -2.138 0.054) 2.217 15.919 ( -0.584 2.138 0.054) 2.217 16.207 ( -0.481 -5.068 0.092) 5.091 16.207 ( -0.481 5.068 0.092) 5.091 16.740 ( -1.489 -2.334 -0.529) 2.819 16.740 ( -1.489 2.334 -0.529) 2.819 16.898 ( -0.203 -4.558 -0.988) 4.669 16.898 ( -0.203 4.558 -0.988) 4.669 17.846 ( 2.108 -4.218 0.653) 4.760 17.846 ( 2.108 4.218 0.653) 4.760 18.034 ( 3.687 -0.564 0.820) 3.819 18.034 ( 3.687 0.564 0.820) 3.819 21.661 ( 0.119 -2.459 0.519) 2.516 21.661 ( 0.119 2.459 0.519) 2.516 21.888 ( 4.238 -3.376 -0.184) 5.422 21.888 ( 4.238 3.376 -0.184) 5.422 27.144 ( 1.602 -0.802 -0.781) 1.954 27.144 ( 1.602 0.802 -0.781) 1.954 27.772 ( 13.961 -1.742 0.771) 14.090 27.772 ( 13.961 1.742 0.771) 14.090 28.802 ( -1.015 -0.525 -0.417) 1.216 28.802 ( -1.015 0.525 -0.417) 1.216 29.071 ( 3.334 -0.723 0.080) 3.413 29.071 ( 3.334 0.723 0.080) 3.413 29.922 ( 0.413 -0.503 -0.730) 0.978 29.922 ( 0.413 0.503 -0.730) 0.978 30.340 ( 6.385 -2.712 0.213) 6.940 30.340 ( 6.385 2.712 0.213) 6.940 30.716 ( -4.671 -1.628 1.144) 5.077 30.716 ( -4.671 1.628 1.144) 5.077 31.194 ( -0.475 -1.561 -0.005) 1.631 31.194 ( -0.475 1.561 -0.005) 1.631 31.706 ( -1.425 -2.693 -1.965) 3.625 31.706 ( -1.425 2.693 -1.965) 3.625 31.853 ( -1.321 -2.212 3.336) 4.215 31.853 ( -1.321 2.212 3.336) 4.215 32.621 ( -10.362 -5.900 -5.580) 13.165 32.621 ( -10.362 5.900 -5.580) 13.165 32.974 ( -8.605 -3.202 3.160) 9.710 32.974 ( -8.605 3.202 3.160) 9.710 33.834 ( 0.423 -2.561 2.428) 3.554 33.834 ( 0.423 2.561 2.428) 3.554 34.178 ( -2.314 -10.782 -1.989) 11.205 34.178 ( -2.314 10.782 -1.989) 11.205 ======================= Grid point 125 (64/88) ======================= q-point: (-0.10 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -8.977 -15.853 -4.144) 18.684 1.657 ( -8.977 15.853 -4.144) 18.684 1.905 ( 3.683 -20.752 5.303) 21.733 1.905 ( 3.683 20.752 5.303) 21.734 2.292 ( -9.206 -0.754 4.793) 10.407 2.292 ( -9.206 0.754 4.793) 10.407 2.522 ( -0.743 -9.303 -4.949) 10.564 2.522 ( -0.743 9.303 -4.949) 10.564 2.904 ( -1.728 -10.481 1.412) 10.716 2.904 ( -1.728 10.481 1.412) 10.716 3.104 ( -7.090 -3.945 -2.547) 8.504 3.104 ( -7.090 3.945 -2.547) 8.504 3.173 ( -3.138 -3.426 4.077) 6.181 3.173 ( -3.138 3.426 4.077) 6.181 3.387 ( -6.772 -1.952 0.047) 7.048 3.387 ( -6.772 1.952 0.047) 7.048 3.588 ( 1.165 -4.886 -0.182) 5.027 3.588 ( 1.165 4.886 -0.182) 5.027 3.669 ( 1.699 -6.445 -1.740) 6.888 3.669 ( 1.699 6.445 -1.740) 6.888 3.828 ( -7.394 -6.518 -0.531) 9.871 3.828 ( -7.394 6.518 -0.531) 9.871 3.983 ( -2.393 -7.350 0.611) 7.754 3.983 ( -2.393 7.350 0.611) 7.754 4.309 ( 2.238 -2.762 0.289) 3.567 4.309 ( 2.238 2.762 0.289) 3.567 4.572 ( 0.592 -10.226 -6.819) 12.305 4.572 ( 0.592 10.226 -6.819) 12.305 4.647 ( -2.229 -11.792 -0.368) 12.006 4.647 ( -2.229 11.792 -0.368) 12.006 4.830 ( -1.726 -8.753 -1.405) 9.031 4.830 ( -1.726 8.753 -1.405) 9.031 5.113 ( -4.109 -1.301 1.425) 4.539 5.113 ( -4.109 1.301 1.425) 4.539 5.216 ( -2.912 -3.890 4.203) 6.425 5.216 ( -2.912 3.890 4.203) 6.425 5.469 ( 1.285 -4.400 5.153) 6.897 5.469 ( 1.285 4.400 5.153) 6.897 5.675 ( 0.249 -8.708 -0.371) 8.719 5.675 ( 0.249 8.708 -0.371) 8.719 5.956 ( 3.392 -10.755 -1.907) 11.437 5.956 ( 3.392 10.755 -1.907) 11.437 6.210 ( 1.028 -0.137 0.446) 1.129 6.210 ( 1.028 0.137 0.446) 1.129 6.696 ( -0.303 -2.365 2.819) 3.692 6.696 ( -0.303 2.365 2.819) 3.692 6.986 ( 6.850 -3.518 -8.444) 11.428 6.986 ( 6.850 3.518 -8.444) 11.428 7.517 ( 2.797 -7.585 2.752) 8.540 7.517 ( 2.797 7.585 2.752) 8.540 7.845 ( -2.040 -4.420 0.732) 4.923 7.845 ( -2.040 4.420 0.732) 4.923 8.068 ( 0.206 -2.605 1.432) 2.980 8.068 ( 0.206 2.605 1.432) 2.980 8.436 ( 0.612 -8.117 -4.678) 9.388 8.436 ( 0.612 8.117 -4.678) 9.388 8.649 ( -0.731 -2.235 5.627) 6.099 8.649 ( -0.731 2.235 5.627) 6.099 8.880 ( 0.983 -5.223 -2.837) 6.025 8.880 ( 0.983 5.223 -2.837) 6.025 9.912 ( -1.216 -2.221 2.038) 3.250 9.912 ( -1.216 2.221 2.038) 3.250 10.236 ( 1.945 -3.294 -2.512) 4.576 10.236 ( 1.945 3.294 -2.512) 4.576 10.472 ( 0.453 -11.999 0.053) 12.007 10.472 ( 0.453 11.999 0.053) 12.007 10.586 ( -2.916 -2.535 2.047) 4.373 10.586 ( -2.916 2.535 2.047) 4.373 10.800 ( 1.545 -6.106 0.434) 6.313 10.800 ( 1.545 6.106 0.434) 6.313 11.080 ( 0.085 -3.264 -1.053) 3.430 11.080 ( 0.085 3.264 -1.053) 3.430 12.661 ( -0.936 -2.935 -0.168) 3.085 12.661 ( -0.936 2.935 -0.168) 3.085 12.782 ( -0.800 -3.669 0.072) 3.756 12.782 ( -0.800 3.669 0.072) 3.756 14.098 ( 0.702 -4.089 0.041) 4.149 14.098 ( 0.702 4.089 0.041) 4.149 14.290 ( 2.990 -1.004 -0.525) 3.198 14.290 ( 2.990 1.004 -0.525) 3.198 14.654 ( -1.515 -6.625 0.070) 6.796 14.654 ( -1.515 6.625 0.070) 6.796 15.390 ( 2.086 -2.307 0.467) 3.145 15.390 ( 2.086 2.307 0.467) 3.145 15.827 ( 1.916 -2.456 0.013) 3.116 15.827 ( 1.916 2.456 0.013) 3.116 15.868 ( 0.925 -2.156 -1.010) 2.554 15.868 ( 0.925 2.156 -1.010) 2.554 15.915 ( 0.367 -2.743 -0.414) 2.799 15.915 ( 0.367 2.743 -0.414) 2.799 16.197 ( -0.590 -5.014 -0.216) 5.053 16.197 ( -0.590 5.014 -0.216) 5.053 16.719 ( -0.710 -2.762 0.753) 2.950 16.719 ( -0.710 2.762 0.753) 2.950 16.881 ( -0.172 -3.731 -2.160) 4.314 16.881 ( -0.172 3.731 -2.160) 4.314 17.895 ( 2.318 -4.399 0.568) 5.005 17.895 ( 2.318 4.399 0.568) 5.005 18.091 ( 1.685 -1.258 -0.078) 2.104 18.091 ( 1.685 1.258 -0.078) 2.104 21.673 ( 0.172 -1.546 2.031) 2.559 21.673 ( 0.172 1.546 2.031) 2.559 21.959 ( 3.366 -2.848 -0.739) 4.470 21.959 ( 3.366 2.848 -0.739) 4.470 27.186 ( 1.769 -0.906 2.779) 3.417 27.186 ( 1.769 0.906 2.779) 3.417 27.991 ( 9.449 -4.556 -4.427) 11.386 27.991 ( 9.449 4.556 -4.427) 11.386 28.787 ( -0.453 -0.245 0.157) 0.538 28.787 ( -0.453 0.245 0.157) 0.538 29.136 ( 3.358 -1.676 -0.501) 3.786 29.136 ( 3.358 1.676 -0.501) 3.786 29.942 ( 1.503 -0.730 1.494) 2.241 29.942 ( 1.503 0.730 1.494) 2.241 30.456 ( 5.316 -2.378 0.617) 5.856 30.456 ( 5.316 2.378 0.617) 5.856 30.653 ( -3.067 -3.152 1.773) 4.742 30.653 ( -3.067 3.152 1.773) 4.742 31.174 ( -1.205 -1.627 -0.693) 2.140 31.174 ( -1.205 1.627 -0.693) 2.140 31.648 ( -1.468 -2.525 -2.809) 4.053 31.648 ( -1.468 2.525 -2.809) 4.053 31.855 ( -2.448 -1.744 1.532) 3.374 31.855 ( -2.448 1.744 1.532) 3.374 32.396 ( -7.983 -6.641 -1.567) 10.502 32.396 ( -7.983 6.641 -1.567) 10.502 32.832 ( -7.710 -3.328 1.544) 8.538 32.832 ( -7.710 3.328 1.544) 8.538 33.868 ( 0.344 -0.738 3.308) 3.407 33.868 ( 0.344 0.738 3.308) 3.407 34.135 ( -0.049 -8.073 -3.487) 8.794 34.135 ( -0.049 8.073 -3.487) 8.794 ======================= Grid point 147 (65/88) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 7.073 0.000 -25.660) 26.617 1.110 ( -7.073 0.000 25.660) 26.617 1.271 ( 5.577 0.000 -30.871) 31.370 1.271 ( -5.577 0.000 30.871) 31.370 1.879 ( -2.489 0.000 -38.412) 38.493 1.879 ( 2.489 0.000 38.412) 38.493 2.634 ( -1.273 0.000 -4.359) 4.541 2.634 ( 1.273 0.000 4.359) 4.541 2.985 ( 1.780 0.000 -2.267) 2.882 2.985 ( -1.780 0.000 2.267) 2.882 3.129 ( -0.512 0.000 -4.414) 4.444 3.129 ( 0.512 0.000 4.414) 4.444 3.261 ( -1.045 0.000 0.053) 1.047 3.261 ( 1.045 0.000 -0.053) 1.047 3.389 ( -6.686 0.000 -7.123) 9.769 3.389 ( 6.686 0.000 7.123) 9.769 3.428 ( 0.814 0.000 -2.138) 2.288 3.428 ( -0.814 0.000 2.138) 2.288 3.825 ( 1.823 0.000 -4.452) 4.811 3.825 ( -1.823 0.000 4.452) 4.811 3.938 ( -1.097 0.000 -1.763) 2.077 3.938 ( 1.097 0.000 1.763) 2.077 4.085 ( -2.904 0.000 -6.691) 7.294 4.085 ( 2.904 0.000 6.691) 7.294 4.343 ( -2.503 0.000 -7.497) 7.904 4.343 ( 2.503 0.000 7.497) 7.904 4.438 ( 2.946 0.000 -5.581) 6.311 4.438 ( -2.946 0.000 5.581) 6.311 4.538 ( 2.428 0.000 -2.507) 3.490 4.538 ( -2.428 0.000 2.507) 3.490 4.861 ( -1.113 0.000 -2.034) 2.319 4.861 ( 1.113 0.000 2.034) 2.319 5.019 ( 2.820 0.000 -2.013) 3.465 5.019 ( -2.820 0.000 2.013) 3.465 5.143 ( 12.623 0.000 -4.212) 13.307 5.143 ( -12.623 0.000 4.212) 13.307 5.443 ( 4.820 0.000 -2.598) 5.475 5.443 ( -4.820 0.000 2.598) 5.475 6.040 ( -0.845 0.000 -0.803) 1.166 6.040 ( 0.845 0.000 0.803) 1.166 6.251 ( -2.839 0.000 -6.192) 6.812 6.251 ( 2.839 0.000 6.192) 6.812 6.313 ( 0.702 0.000 -1.429) 1.592 6.313 ( -0.702 0.000 1.429) 1.592 6.585 ( -2.413 0.000 0.596) 2.485 6.585 ( 2.413 0.000 -0.596) 2.485 6.922 ( -6.559 0.000 -11.045) 12.846 6.922 ( 6.559 0.000 11.045) 12.846 7.582 ( 9.392 0.000 -8.610) 12.741 7.582 ( -9.392 0.000 8.610) 12.741 7.769 ( -9.346 0.000 -4.970) 10.585 7.769 ( 9.346 0.000 4.970) 10.585 8.051 ( 3.550 0.000 -5.437) 6.494 8.051 ( -3.550 0.000 5.437) 6.494 8.421 ( -7.910 0.000 1.846) 8.123 8.421 ( 7.910 0.000 -1.846) 8.123 8.742 ( 0.078 0.000 -2.660) 2.661 8.742 ( -0.078 0.000 2.660) 2.661 9.056 ( -0.012 0.000 -1.747) 1.747 9.056 ( 0.012 0.000 1.747) 1.747 9.601 ( 0.644 0.000 -3.793) 3.847 9.601 ( -0.644 0.000 3.793) 3.847 10.034 ( 1.407 0.000 -5.842) 6.009 10.034 ( -1.407 0.000 5.842) 6.009 10.508 ( -5.388 0.000 -2.298) 5.858 10.508 ( 5.388 0.000 2.298) 5.858 10.733 ( 1.642 0.000 -1.165) 2.013 10.733 ( -1.642 0.000 1.165) 2.013 10.837 ( -2.798 0.000 -1.009) 2.975 10.837 ( 2.798 0.000 1.009) 2.975 11.293 ( 0.420 0.000 -2.341) 2.378 11.293 ( -0.420 0.000 2.341) 2.378 12.339 ( 2.297 0.000 -2.301) 3.251 12.339 ( -2.297 0.000 2.301) 3.251 12.890 ( -0.822 0.000 -1.308) 1.544 12.890 ( 0.822 0.000 1.308) 1.544 14.190 ( 0.623 0.000 -1.296) 1.438 14.190 ( -0.623 0.000 1.296) 1.438 14.310 ( 1.670 0.000 -0.901) 1.897 14.310 ( -1.670 0.000 0.901) 1.897 15.076 ( -1.005 0.000 -4.501) 4.612 15.076 ( 1.005 0.000 4.501) 4.612 15.269 ( 2.379 0.000 -2.866) 3.724 15.269 ( -2.379 0.000 2.866) 3.724 15.673 ( -1.403 0.000 -3.406) 3.683 15.673 ( 1.403 0.000 3.406) 3.683 15.734 ( -4.301 0.000 -2.439) 4.944 15.734 ( 4.301 0.000 2.439) 4.944 15.820 ( 0.543 0.000 -0.606) 0.814 15.820 ( -0.543 0.000 0.606) 0.814 16.288 ( -16.534 0.000 3.238) 16.848 16.288 ( 16.534 0.000 -3.238) 16.848 16.752 ( -9.881 0.000 -2.798) 10.269 16.752 ( 9.881 0.000 2.798) 10.269 16.881 ( -1.756 0.000 0.198) 1.767 16.881 ( 1.756 0.000 -0.198) 1.767 17.848 ( 2.522 0.000 -4.478) 5.140 17.848 ( -2.522 0.000 4.478) 5.140 18.204 ( -0.395 0.000 0.063) 0.400 18.204 ( 0.395 0.000 -0.063) 0.400 21.481 ( 2.503 0.000 -2.304) 3.402 21.481 ( -2.503 0.000 2.304) 3.402 21.981 ( -1.664 0.000 -0.958) 1.920 21.981 ( 1.664 0.000 0.958) 1.920 27.405 ( -1.978 0.000 -6.878) 7.157 27.405 ( 1.978 0.000 6.878) 7.157 27.713 ( -0.554 0.000 -0.235) 0.602 27.713 ( 0.554 0.000 0.235) 0.602 28.855 ( -0.072 0.000 -1.915) 1.917 28.855 ( 0.072 0.000 1.915) 1.917 29.066 ( -0.260 0.000 -2.007) 2.024 29.066 ( 0.260 0.000 2.007) 2.024 30.007 ( -0.221 0.000 -6.557) 6.561 30.007 ( 0.221 0.000 6.557) 6.561 30.442 ( -0.125 0.000 -0.348) 0.370 30.442 ( 0.125 0.000 0.348) 0.370 30.552 ( 0.389 0.000 -1.658) 1.703 30.552 ( -0.389 0.000 1.658) 1.703 31.336 ( -3.614 0.000 -2.702) 4.513 31.336 ( 3.614 0.000 2.702) 4.513 31.653 ( 9.623 0.000 -3.421) 10.213 31.653 ( -9.623 0.000 3.421) 10.213 31.720 ( -0.410 0.000 -3.070) 3.097 31.720 ( 0.410 0.000 3.070) 3.097 32.367 ( -18.191 0.000 -3.763) 18.576 32.367 ( 18.191 0.000 3.763) 18.576 33.298 ( -0.838 0.000 -0.569) 1.013 33.298 ( 0.838 0.000 0.569) 1.013 33.628 ( -2.154 0.000 -0.910) 2.338 33.628 ( 2.154 0.000 0.910) 2.338 33.849 ( -8.004 0.000 -1.914) 8.230 33.849 ( 8.004 0.000 1.914) 8.230 ======================= Grid point 149 (66/88) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 3.985 0.000 -20.165) 20.555 1.190 ( 20.915 0.000 -21.183) 29.769 1.345 ( 8.307 0.000 10.796) 13.622 1.575 ( 10.653 0.000 24.166) 26.410 1.875 ( 36.266 0.000 -34.099) 49.779 2.291 ( 10.165 0.000 22.932) 25.084 2.571 ( -0.647 0.000 -0.299) 0.713 2.644 ( -0.071 0.000 3.777) 3.778 2.985 ( 0.700 0.000 -0.067) 0.703 3.005 ( 2.184 0.000 -3.512) 4.136 3.181 ( 4.353 0.000 -1.444) 4.587 3.189 ( -2.647 0.000 0.746) 2.750 3.215 ( -0.099 0.000 -0.590) 0.598 3.289 ( 1.435 0.000 -3.161) 3.471 3.293 ( 7.832 0.000 -1.749) 8.025 3.382 ( -3.064 0.000 -4.864) 5.749 3.448 ( 2.878 0.000 2.023) 3.518 3.619 ( 9.724 0.000 9.203) 13.388 3.781 ( -8.360 0.000 5.078) 9.782 3.814 ( 1.499 0.000 -3.200) 3.534 3.890 ( -3.411 0.000 -0.160) 3.415 3.920 ( -6.058 0.000 0.132) 6.060 4.033 ( 4.537 0.000 -3.024) 5.452 4.190 ( 1.341 0.000 9.646) 9.739 4.207 ( -2.762 0.000 -14.423) 14.685 4.322 ( -10.247 0.000 3.232) 10.745 4.350 ( -2.988 0.000 -1.678) 3.427 4.468 ( 6.006 0.000 -7.760) 9.813 4.516 ( -1.954 0.000 5.188) 5.544 4.552 ( 1.328 0.000 1.652) 2.120 4.826 ( -5.269 0.000 -3.400) 6.271 4.881 ( -5.667 0.000 0.970) 5.750 4.941 ( 5.993 0.000 -0.244) 5.998 5.018 ( 8.218 0.000 0.111) 8.218 5.258 ( -0.572 0.000 -0.437) 0.720 5.261 ( 10.947 0.000 0.103) 10.947 5.519 ( 2.018 0.000 0.390) 2.055 5.574 ( 14.410 0.000 0.005) 14.410 6.007 ( -3.094 0.000 1.687) 3.524 6.021 ( -5.065 0.000 4.516) 6.786 6.128 ( -3.484 0.000 -4.661) 5.820 6.293 ( -0.797 0.000 4.356) 4.428 6.368 ( 4.841 0.000 -3.093) 5.745 6.413 ( 5.304 0.000 2.554) 5.887 6.502 ( -3.391 0.000 -1.654) 3.773 6.520 ( -7.515 0.000 -7.336) 10.502 6.707 ( -7.759 0.000 -1.471) 7.898 7.022 ( -6.750 0.000 13.216) 14.840 7.465 ( -7.970 0.000 5.371) 9.611 7.536 ( -11.175 0.000 -2.281) 11.406 7.640 ( 3.373 0.000 -11.697) 12.173 7.989 ( -2.208 0.000 9.073) 9.338 7.993 ( 3.824 0.000 4.035) 5.559 8.064 ( 1.494 0.000 2.164) 2.630 8.344 ( 2.283 0.000 -5.746) 6.183 8.493 ( 2.377 0.000 -6.997) 7.390 8.729 ( 0.130 0.000 -0.335) 0.360 8.737 ( -2.968 0.000 2.435) 3.839 9.068 ( 2.521 0.000 -0.904) 2.678 9.071 ( 0.140 0.000 0.530) 0.548 9.581 ( -0.383 0.000 -2.139) 2.173 9.625 ( -0.259 0.000 5.187) 5.194 10.010 ( 1.797 0.000 -7.411) 7.625 10.044 ( -1.025 0.000 2.494) 2.697 10.401 ( -3.409 0.000 -2.673) 4.332 10.602 ( 3.182 0.000 -1.354) 3.458 10.722 ( -1.457 0.000 3.302) 3.609 10.747 ( -0.371 0.000 0.843) 0.921 10.799 ( -0.478 0.000 -1.674) 1.741 10.927 ( 4.873 0.000 2.375) 5.421 11.292 ( 1.247 0.000 -1.923) 2.291 11.310 ( 0.351 0.000 2.161) 2.189 12.347 ( 1.432 0.000 2.701) 3.057 12.384 ( 4.358 0.000 -2.708) 5.130 12.864 ( -0.705 0.000 -1.037) 1.255 12.904 ( -0.229 0.000 0.341) 0.411 14.159 ( -2.578 0.000 -1.218) 2.851 14.161 ( -2.975 0.000 1.184) 3.202 14.296 ( -0.696 0.000 1.107) 1.308 14.340 ( 2.117 0.000 -0.925) 2.310 14.988 ( -4.003 0.000 -2.548) 4.745 15.005 ( -9.503 0.000 -1.054) 9.561 15.216 ( -6.017 0.000 -0.203) 6.020 15.251 ( -0.163 0.000 1.125) 1.137 15.634 ( 0.644 0.000 -2.891) 2.961 15.655 ( -2.521 0.000 0.139) 2.525 15.707 ( -0.271 0.000 1.571) 1.594 15.813 ( -0.158 0.000 -0.588) 0.608 15.833 ( 1.782 0.000 -1.937) 2.632 15.846 ( 5.050 0.000 1.675) 5.321 16.105 ( -8.436 0.000 10.107) 13.165 16.413 ( -7.102 0.000 -2.695) 7.596 16.720 ( 9.759 0.000 4.854) 10.900 16.807 ( -3.046 0.000 -0.111) 3.048 16.905 ( 1.229 0.000 -1.622) 2.035 16.957 ( 7.054 0.000 -0.479) 7.070 17.850 ( -0.846 0.000 4.212) 4.296 17.853 ( 0.661 0.000 -4.199) 4.251 18.181 ( -2.336 0.000 0.208) 2.345 18.207 ( -0.874 0.000 2.206) 2.373 21.434 ( -2.553 0.000 -0.728) 2.655 21.498 ( 1.619 0.000 -2.263) 2.783 21.918 ( -3.866 0.000 -0.629) 3.916 21.985 ( -1.571 0.000 0.498) 1.648 27.293 ( -4.118 0.000 -5.931) 7.221 27.454 ( -1.855 0.000 4.509) 4.876 27.527 ( -15.180 0.000 -7.846) 17.088 27.652 ( -6.152 0.000 3.933) 7.302 28.843 ( 0.256 0.000 -1.673) 1.692 28.874 ( 0.356 0.000 1.539) 1.580 29.034 ( -1.888 0.000 0.314) 1.914 29.039 ( -4.236 0.000 0.366) 4.252 29.918 ( -2.598 0.000 -4.678) 5.351 29.963 ( -4.764 0.000 -1.039) 4.876 30.371 ( -5.793 0.000 -1.984) 6.123 30.454 ( 1.953 0.000 1.805) 2.659 30.533 ( -0.018 0.000 -2.757) 2.757 30.547 ( -1.183 0.000 2.833) 3.070 31.352 ( 5.313 0.000 -1.304) 5.471 31.437 ( 2.486 0.000 2.405) 3.459 31.604 ( -1.804 0.000 7.962) 8.164 31.670 ( -7.209 0.000 -0.807) 7.254 31.690 ( -0.066 0.000 -2.611) 2.612 31.980 ( -5.343 0.000 -9.363) 10.780 31.986 ( 17.446 0.000 1.657) 17.524 32.542 ( 1.214 0.000 -1.242) 1.737 33.316 ( 2.969 0.000 -0.017) 2.969 33.351 ( 4.187 0.000 0.591) 4.228 33.573 ( -4.193 0.000 2.183) 4.727 33.697 ( 4.702 0.000 -3.516) 5.871 33.876 ( 9.860 0.000 -3.782) 10.560 34.247 ( 20.988 0.000 16.015) 26.400 ======================= Grid point 150 (67/88) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 19.589 0.000 -13.370) 23.716 1.514 ( 26.613 0.000 -14.635) 30.371 1.641 ( 12.248 0.000 11.170) 16.577 1.913 ( 7.837 0.000 16.254) 18.045 2.350 ( -6.407 0.000 -2.311) 6.811 2.468 ( 39.180 0.000 -18.885) 43.494 2.667 ( 10.651 0.000 4.341) 11.501 2.879 ( 11.596 0.000 5.253) 12.730 2.983 ( -0.259 0.000 -2.598) 2.611 3.001 ( 0.199 0.000 -2.195) 2.204 3.172 ( 0.903 0.000 0.820) 1.220 3.211 ( 1.343 0.000 2.916) 3.210 3.261 ( 1.111 0.000 -4.027) 4.178 3.271 ( 1.607 0.000 7.178) 7.356 3.332 ( 1.865 0.000 -1.543) 2.421 3.490 ( 9.385 0.000 -1.491) 9.503 3.539 ( -12.979 0.000 -4.170) 13.633 3.568 ( 6.749 0.000 -1.687) 6.956 3.796 ( 4.374 0.000 3.346) 5.507 3.814 ( -1.498 0.000 0.180) 1.509 3.832 ( -8.748 0.000 3.990) 9.615 3.991 ( 14.597 0.000 6.256) 15.881 4.024 ( 0.070 0.000 -9.176) 9.176 4.139 ( 4.349 0.000 -4.912) 6.561 4.184 ( -6.473 0.000 2.141) 6.818 4.204 ( -4.342 0.000 3.427) 5.532 4.362 ( 3.730 0.000 1.771) 4.129 4.523 ( 6.817 0.000 -6.340) 9.309 4.567 ( 2.968 0.000 6.068) 6.755 4.599 ( 1.466 0.000 0.358) 1.509 4.778 ( -0.717 0.000 1.627) 1.778 4.785 ( -3.201 0.000 -1.310) 3.459 5.046 ( 4.858 0.000 -0.954) 4.951 5.147 ( 2.404 0.000 1.023) 2.612 5.273 ( 1.884 0.000 3.129) 3.652 5.377 ( 0.128 0.000 -0.966) 0.974 5.541 ( 1.673 0.000 -2.284) 2.831 5.767 ( 5.574 0.000 -1.838) 5.870 5.937 ( -4.285 0.000 1.780) 4.639 5.968 ( -1.791 0.000 2.171) 2.814 6.103 ( 4.098 0.000 -5.053) 6.506 6.216 ( -8.128 0.000 2.204) 8.422 6.276 ( -6.754 0.000 -12.909) 14.569 6.427 ( 3.310 0.000 -1.591) 3.672 6.486 ( 4.089 0.000 -0.496) 4.119 6.529 ( 2.167 0.000 1.022) 2.396 6.599 ( -5.156 0.000 2.263) 5.631 6.922 ( -12.515 0.000 13.732) 18.580 7.366 ( -6.006 0.000 2.726) 6.596 7.372 ( -1.169 0.000 -5.576) 5.697 7.633 ( 3.257 0.000 -6.497) 7.268 7.909 ( -6.301 0.000 4.586) 7.793 8.060 ( -5.886 0.000 3.711) 6.958 8.145 ( 2.744 0.000 3.048) 4.101 8.386 ( 4.185 0.000 -2.027) 4.650 8.442 ( -1.488 0.000 -3.780) 4.062 8.688 ( -3.843 0.000 2.565) 4.621 8.739 ( 0.509 0.000 1.163) 1.270 9.050 ( -2.745 0.000 -0.600) 2.810 9.111 ( 1.406 0.000 0.666) 1.556 9.565 ( 0.113 0.000 -0.157) 0.193 9.669 ( 0.073 0.000 5.892) 5.893 9.997 ( 2.494 0.000 -6.789) 7.232 10.032 ( -0.792 0.000 -1.130) 1.380 10.348 ( -0.856 0.000 -0.209) 0.881 10.601 ( -0.025 0.000 -4.655) 4.655 10.712 ( -3.131 0.000 5.101) 5.985 10.735 ( -1.714 0.000 1.592) 2.339 10.789 ( 1.352 0.000 -3.456) 3.711 11.021 ( 2.878 0.000 1.220) 3.126 11.307 ( 1.698 0.000 -1.648) 2.366 11.335 ( 0.861 0.000 1.071) 1.374 12.427 ( 3.668 0.000 4.166) 5.551 12.456 ( 5.407 0.000 -2.535) 5.972 12.852 ( -0.357 0.000 0.435) 0.563 12.885 ( -1.597 0.000 -0.608) 1.709 14.095 ( -2.697 0.000 -1.196) 2.950 14.120 ( -2.305 0.000 1.890) 2.981 14.297 ( -0.414 0.000 1.760) 1.808 14.374 ( 2.253 0.000 -1.195) 2.550 14.826 ( -4.314 0.000 -7.238) 8.426 14.911 ( -2.532 0.000 -1.092) 2.757 15.097 ( -6.875 0.000 2.667) 7.374 15.235 ( -2.701 0.000 0.776) 2.810 15.632 ( -1.411 0.000 2.107) 2.536 15.642 ( 2.221 0.000 -2.951) 3.693 15.707 ( 0.347 0.000 -0.617) 0.708 15.788 ( -1.889 0.000 -0.631) 1.992 15.856 ( 2.235 0.000 -1.771) 2.852 15.942 ( 3.647 0.000 0.943) 3.767 16.086 ( -2.830 0.000 9.901) 10.297 16.262 ( -4.120 0.000 -4.529) 6.122 16.754 ( -1.452 0.000 -1.108) 1.826 16.866 ( 1.218 0.000 1.101) 1.642 16.917 ( 1.364 0.000 0.895) 1.632 17.037 ( 2.260 0.000 -0.980) 2.463 17.811 ( -0.815 0.000 -4.006) 4.088 17.874 ( 0.282 0.000 2.772) 2.786 18.122 ( -3.814 0.000 -0.093) 3.815 18.189 ( -3.252 0.000 2.398) 4.040 21.410 ( 1.282 0.000 -1.393) 1.893 21.515 ( 1.828 0.000 -1.529) 2.383 21.841 ( -3.900 0.000 -0.106) 3.901 21.947 ( -2.871 0.000 0.712) 2.958 27.168 ( -5.779 0.000 -4.489) 7.318 27.204 ( -7.581 0.000 -8.164) 11.142 27.410 ( -4.607 0.000 1.185) 4.757 27.572 ( -6.274 0.000 4.373) 7.648 28.840 ( 0.488 0.000 -1.040) 1.149 28.889 ( 0.267 0.000 0.799) 0.843 28.958 ( -2.759 0.000 -2.022) 3.421 29.003 ( -1.974 0.000 0.983) 2.205 29.865 ( -0.328 0.000 -1.776) 1.806 29.919 ( 1.053 0.000 -1.685) 1.987 30.237 ( -6.343 0.000 -1.310) 6.477 30.446 ( -4.580 0.000 1.740) 4.899 30.570 ( 1.334 0.000 3.232) 3.496 30.586 ( 7.604 0.000 -3.103) 8.213 31.408 ( -4.744 0.000 -5.007) 6.897 31.410 ( -0.188 0.000 -0.455) 0.493 31.577 ( 1.159 0.000 1.292) 1.736 31.641 ( -0.265 0.000 2.328) 2.343 31.741 ( 5.349 0.000 6.648) 8.533 31.866 ( -1.239 0.000 -5.291) 5.434 32.333 ( 13.474 0.000 0.838) 13.500 32.495 ( -3.126 0.000 -2.350) 3.910 33.403 ( 6.040 0.000 -0.053) 6.040 33.451 ( 5.890 0.000 -0.542) 5.915 33.526 ( -3.680 0.000 5.807) 6.875 33.727 ( 1.773 0.000 -2.856) 3.361 34.066 ( 14.007 0.000 -8.364) 16.314 34.645 ( 5.740 0.000 17.160) 18.095 ======================= Grid point 151 (68/88) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 27.808 0.000 3.437) 28.020 1.907 ( 23.476 0.000 -9.370) 25.277 1.938 ( 11.964 0.000 5.622) 13.219 2.136 ( 6.049 0.000 7.926) 9.970 2.225 ( -1.782 0.000 -2.301) 2.911 2.728 ( 3.908 0.000 0.157) 3.911 2.935 ( -0.485 0.000 -6.984) 7.000 2.959 ( -2.061 0.000 -3.643) 4.185 2.967 ( 1.407 0.000 -3.758) 4.012 3.021 ( 8.024 0.000 -2.335) 8.356 3.172 ( -2.199 0.000 2.223) 3.127 3.241 ( -1.514 0.000 2.739) 3.130 3.313 ( -1.600 0.000 -3.095) 3.484 3.366 ( -2.802 0.000 11.861) 12.187 3.382 ( 2.118 0.000 3.098) 3.753 3.464 ( 24.433 0.000 -7.131) 25.453 3.627 ( 2.722 0.000 -4.307) 5.095 3.635 ( 5.039 0.000 -0.965) 5.130 3.647 ( -10.923 0.000 4.259) 11.724 3.805 ( -1.139 0.000 2.947) 3.160 3.899 ( 0.778 0.000 0.785) 1.105 4.023 ( 4.465 0.000 -2.117) 4.941 4.088 ( -1.014 0.000 -1.552) 1.854 4.187 ( 0.727 0.000 3.361) 3.439 4.209 ( 5.336 0.000 -2.272) 5.799 4.299 ( 5.346 0.000 4.609) 7.058 4.482 ( 9.395 0.000 5.868) 11.077 4.571 ( -4.062 0.000 -3.136) 5.132 4.594 ( 2.074 0.000 -0.809) 2.226 4.696 ( 5.341 0.000 3.360) 6.310 4.778 ( -1.992 0.000 4.742) 5.144 4.804 ( 10.830 0.000 -7.034) 12.914 5.103 ( 2.360 0.000 -1.352) 2.720 5.130 ( -1.959 0.000 0.112) 1.962 5.341 ( -1.343 0.000 0.437) 1.412 5.341 ( 1.327 0.000 2.631) 2.946 5.497 ( -3.749 0.000 -2.657) 4.595 5.813 ( 1.317 0.000 1.212) 1.790 5.884 ( -4.255 0.000 2.571) 4.972 5.984 ( 1.412 0.000 -3.349) 3.634 6.067 ( 0.172 0.000 -13.793) 13.794 6.126 ( -1.936 0.000 3.646) 4.128 6.201 ( 6.069 0.000 -6.813) 9.124 6.476 ( 3.272 0.000 -1.628) 3.654 6.544 ( 0.153 0.000 1.569) 1.576 6.551 ( -1.343 0.000 1.587) 2.079 6.571 ( 4.210 0.000 -1.657) 4.524 6.796 ( -12.698 0.000 13.410) 18.468 7.288 ( -4.608 0.000 4.009) 6.108 7.375 ( 4.550 0.000 -5.377) 7.043 7.644 ( 0.586 0.000 -1.168) 1.306 7.818 ( -5.334 0.000 0.003) 5.334 7.942 ( -6.593 0.000 0.746) 6.635 8.140 ( -2.360 0.000 -1.688) 2.901 8.421 ( -1.124 0.000 3.414) 3.594 8.423 ( 0.367 0.000 -0.329) 0.493 8.639 ( -2.629 0.000 0.759) 2.737 8.769 ( 2.229 0.000 -0.500) 2.285 8.962 ( -5.414 0.000 -0.731) 5.463 9.114 ( -2.065 0.000 1.439) 2.517 9.592 ( 2.191 0.000 1.092) 2.448 9.708 ( -0.777 0.000 5.615) 5.669 9.987 ( 1.251 0.000 -5.311) 5.456 9.999 ( -0.562 0.000 -3.852) 3.893 10.370 ( 1.657 0.000 3.822) 4.165 10.562 ( 0.135 0.000 -4.293) 4.295 10.693 ( -2.899 0.000 5.301) 6.042 10.713 ( -1.835 0.000 1.795) 2.567 10.786 ( 1.095 0.000 -3.197) 3.379 11.038 ( -0.630 0.000 -2.385) 2.466 11.326 ( 1.628 0.000 -1.618) 2.295 11.356 ( 0.806 0.000 0.071) 0.809 12.529 ( 3.715 0.000 3.609) 5.180 12.546 ( 5.968 0.000 -1.995) 6.292 12.839 ( -2.541 0.000 -1.019) 2.738 12.849 ( -1.130 0.000 1.423) 1.817 14.051 ( -0.837 0.000 -1.320) 1.563 14.100 ( -1.852 0.000 2.529) 3.135 14.308 ( -0.301 0.000 2.879) 2.894 14.400 ( 1.839 0.000 -2.484) 3.090 14.743 ( 0.924 0.000 -6.479) 6.545 14.878 ( -0.610 0.000 0.018) 0.610 15.006 ( -5.033 0.000 2.608) 5.668 15.169 ( -4.537 0.000 0.643) 4.582 15.618 ( -2.018 0.000 2.545) 3.248 15.661 ( 1.933 0.000 -3.329) 3.850 15.718 ( 1.962 0.000 -2.447) 3.137 15.742 ( -2.743 0.000 1.142) 2.971 15.892 ( 2.666 0.000 -0.552) 2.723 15.993 ( 1.424 0.000 -0.041) 1.425 16.120 ( -1.270 0.000 7.571) 7.677 16.185 ( -0.981 0.000 -3.877) 3.999 16.748 ( 1.469 0.000 -0.582) 1.580 16.855 ( -0.536 0.000 -1.741) 1.821 16.941 ( 0.052 0.000 1.034) 1.035 17.038 ( -0.777 0.000 -1.406) 1.607 17.784 ( 0.137 0.000 -1.113) 1.121 17.896 ( 0.216 0.000 1.182) 1.202 18.046 ( -3.840 0.000 -0.199) 3.845 18.128 ( -3.972 0.000 0.448) 3.997 21.452 ( 3.462 0.000 -0.377) 3.482 21.544 ( 2.122 0.000 -0.749) 2.250 21.775 ( -3.094 0.000 0.123) 3.097 21.888 ( -4.076 0.000 0.869) 4.168 27.056 ( -1.601 0.000 -0.786) 1.783 27.102 ( -2.846 0.000 -0.293) 2.861 27.317 ( -4.968 0.000 -1.341) 5.146 27.467 ( -6.894 0.000 0.474) 6.910 28.845 ( 0.670 0.000 -0.491) 0.831 28.894 ( -0.136 0.000 0.048) 0.144 28.912 ( -0.882 0.000 -1.071) 1.388 28.974 ( -1.849 0.000 0.613) 1.948 29.875 ( 1.781 0.000 0.793) 1.949 29.943 ( 2.212 0.000 -1.540) 2.695 30.129 ( -4.839 0.000 0.796) 4.904 30.350 ( -6.100 0.000 0.086) 6.100 30.649 ( 4.327 0.000 3.329) 5.460 30.717 ( 8.984 0.000 -4.294) 9.957 31.276 ( -5.162 0.000 -4.411) 6.790 31.336 ( -7.868 0.000 2.883) 8.379 31.655 ( 4.101 0.000 3.458) 5.364 31.658 ( 2.590 0.000 -3.267) 4.169 31.800 ( -2.367 0.000 -2.887) 3.733 31.914 ( 4.047 0.000 10.346) 11.110 32.421 ( -1.772 0.000 -3.042) 3.521 32.509 ( 7.197 0.000 -4.463) 8.469 33.519 ( 3.090 0.000 1.465) 3.420 33.535 ( 2.021 0.000 5.813) 6.154 33.545 ( 5.178 0.000 -3.037) 6.003 33.735 ( 1.161 0.000 -1.693) 2.053 34.262 ( 13.052 0.000 -6.493) 14.578 34.761 ( -2.559 0.000 8.849) 9.212 ======================= Grid point 152 (69/88) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 11.851 0.000 1.646) 11.965 2.133 ( 4.997 0.000 -0.728) 5.050 2.204 ( 18.303 0.000 8.673) 20.254 2.291 ( 11.372 0.000 -1.532) 11.475 2.352 ( 10.706 0.000 1.552) 10.818 2.680 ( -6.000 0.000 -6.108) 8.562 2.842 ( -5.651 0.000 2.836) 6.323 2.884 ( 1.467 0.000 -6.599) 6.761 2.979 ( 3.066 0.000 -3.829) 4.905 3.045 ( -2.111 0.000 0.382) 2.146 3.188 ( -4.113 0.000 -1.105) 4.258 3.190 ( 2.857 0.000 -0.157) 2.861 3.300 ( -4.210 0.000 -2.559) 4.926 3.340 ( -7.586 0.000 9.463) 12.128 3.407 ( 1.299 0.000 5.309) 5.466 3.543 ( -2.150 0.000 8.303) 8.577 3.603 ( -1.363 0.000 -5.738) 5.898 3.649 ( 0.665 0.000 -0.643) 0.925 3.753 ( -6.903 0.000 3.701) 7.832 3.847 ( -3.500 0.000 -5.725) 6.710 3.892 ( 17.920 0.000 -5.592) 18.772 4.094 ( 0.118 0.000 0.881) 0.889 4.122 ( 3.660 0.000 1.995) 4.168 4.240 ( 3.436 0.000 -1.449) 3.729 4.280 ( -4.686 0.000 0.712) 4.740 4.405 ( -8.075 0.000 -1.468) 8.208 4.406 ( 13.672 0.000 5.756) 14.834 4.591 ( 1.481 0.000 -0.943) 1.756 4.708 ( -2.440 0.000 -1.474) 2.850 4.723 ( 6.221 0.000 -3.639) 7.207 4.874 ( 5.048 0.000 9.525) 10.780 5.012 ( 11.764 0.000 -3.974) 12.417 5.127 ( 0.170 0.000 2.430) 2.436 5.128 ( 1.777 0.000 -1.429) 2.280 5.337 ( -1.396 0.000 1.817) 2.292 5.345 ( -2.400 0.000 1.902) 3.062 5.438 ( 1.858 0.000 -2.789) 3.351 5.715 ( -7.683 0.000 -4.945) 9.137 5.951 ( -2.084 0.000 0.253) 2.099 5.952 ( 2.901 0.000 5.118) 5.883 6.010 ( 7.135 0.000 -10.517) 12.709 6.173 ( 3.381 0.000 -0.728) 3.459 6.270 ( 6.186 0.000 -6.041) 8.647 6.508 ( 0.618 0.000 0.248) 0.666 6.546 ( -1.085 0.000 1.157) 1.586 6.576 ( 2.831 0.000 0.033) 2.831 6.615 ( -7.428 0.000 4.867) 8.880 6.634 ( -6.538 0.000 4.877) 8.156 7.281 ( -0.337 0.000 6.857) 6.865 7.408 ( 2.720 0.000 -6.918) 7.434 7.628 ( -1.607 0.000 1.041) 1.915 7.714 ( -3.906 0.000 -3.369) 5.158 7.889 ( 0.052 0.000 3.019) 3.020 8.066 ( -3.627 0.000 -2.736) 4.544 8.413 ( 0.259 0.000 -1.996) 2.013 8.427 ( -2.580 0.000 6.243) 6.755 8.612 ( 0.684 0.000 -1.386) 1.546 8.760 ( -3.249 0.000 -3.281) 4.618 8.905 ( 1.033 0.000 1.494) 1.817 9.060 ( -4.428 0.000 1.009) 4.542 9.650 ( 2.955 0.000 0.703) 3.037 9.723 ( -1.848 0.000 4.351) 4.727 9.960 ( -0.041 0.000 -4.028) 4.029 9.963 ( -0.290 0.000 -2.787) 2.802 10.453 ( 2.150 0.000 6.303) 6.659 10.543 ( 0.783 0.000 -3.582) 3.667 10.687 ( -1.177 0.000 2.683) 2.930 10.696 ( -1.326 0.000 1.447) 1.963 10.794 ( 1.548 0.000 0.366) 1.591 10.970 ( -3.076 0.000 -5.303) 6.131 11.342 ( 1.274 0.000 -1.327) 1.839 11.363 ( -0.045 0.000 -0.193) 0.198 12.620 ( 3.416 0.000 2.463) 4.211 12.646 ( 5.814 0.000 -1.470) 5.997 12.779 ( -2.807 0.000 -1.050) 2.997 12.822 ( -3.008 0.000 1.323) 3.287 14.043 ( 1.028 0.000 -1.493) 1.813 14.083 ( -2.059 0.000 2.301) 3.087 14.331 ( -0.182 0.000 4.197) 4.201 14.397 ( 0.718 0.000 -4.624) 4.680 14.752 ( 3.929 0.000 -3.849) 5.500 14.869 ( -2.583 0.000 2.676) 3.720 14.959 ( -0.072 0.000 -0.277) 0.286 15.083 ( -4.972 0.000 0.680) 5.018 15.602 ( -1.166 0.000 1.797) 2.143 15.644 ( -0.977 0.000 -2.763) 2.931 15.728 ( -0.300 0.000 2.198) 2.219 15.736 ( 1.773 0.000 -2.575) 3.127 15.943 ( 2.413 0.000 0.601) 2.486 16.001 ( 0.004 0.000 -0.814) 0.814 16.144 ( -1.510 0.000 5.157) 5.374 16.154 ( 0.600 0.000 -3.652) 3.701 16.786 ( 2.370 0.000 0.056) 2.371 16.837 ( -0.310 0.000 -0.928) 0.978 16.946 ( 0.002 0.000 0.761) 0.761 17.000 ( -1.823 0.000 -1.399) 2.298 17.797 ( 1.146 0.000 1.237) 1.686 17.889 ( -1.349 0.000 -0.990) 1.673 17.994 ( -1.298 0.000 0.763) 1.506 18.059 ( -3.098 0.000 -0.771) 3.192 21.520 ( 3.892 0.000 -0.671) 3.950 21.578 ( 1.170 0.000 0.684) 1.355 21.730 ( -1.095 0.000 -0.709) 1.305 21.811 ( -4.664 0.000 1.000) 4.770 27.077 ( 0.180 0.000 3.314) 3.319 27.083 ( 1.542 0.000 3.397) 3.731 27.210 ( -4.107 0.000 -3.457) 5.368 27.328 ( -6.453 0.000 -3.340) 7.266 28.855 ( 0.682 0.000 -0.187) 0.708 28.885 ( -0.634 0.000 -0.357) 0.728 28.905 ( 0.328 0.000 0.124) 0.351 28.945 ( -1.422 0.000 -0.000) 1.422 29.939 ( 2.969 0.000 3.173) 4.346 29.970 ( 2.295 0.000 -2.449) 3.356 30.068 ( -2.539 0.000 1.790) 3.107 30.224 ( -6.501 0.000 -1.574) 6.689 30.779 ( 6.341 0.000 3.863) 7.425 30.852 ( 9.302 0.000 -5.439) 10.775 31.137 ( -6.112 0.000 -4.096) 7.358 31.188 ( -10.192 0.000 4.234) 11.037 31.682 ( 3.038 0.000 -4.447) 5.386 31.734 ( -2.653 0.000 3.198) 4.155 31.783 ( 5.526 0.000 1.195) 5.654 31.993 ( -2.721 0.000 4.831) 5.545 32.415 ( 1.994 0.000 2.052) 2.861 32.549 ( 2.217 0.000 -7.186) 7.520 33.562 ( -1.097 0.000 8.148) 8.221 33.594 ( 3.544 0.000 -5.327) 6.398 33.644 ( 5.450 0.000 -0.989) 5.539 33.739 ( -0.112 0.000 -0.621) 0.631 34.453 ( 11.082 0.000 -3.523) 11.628 34.726 ( -5.838 0.000 4.013) 7.084 ======================= Grid point 153 (70/88) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( -0.310 0.000 -2.971) 2.987 2.204 ( 0.310 0.000 2.971) 2.987 2.431 ( 3.985 0.000 -1.839) 4.389 2.431 ( -3.985 0.000 1.839) 4.389 2.545 ( -7.082 0.000 1.393) 7.217 2.545 ( 7.082 0.000 -1.393) 7.217 2.837 ( -3.762 0.000 -3.761) 5.319 2.837 ( 3.762 0.000 3.761) 5.319 3.002 ( 3.244 0.000 -3.203) 4.559 3.002 ( -3.244 0.000 3.203) 4.559 3.166 ( 6.578 0.000 -4.966) 8.242 3.166 ( -6.578 0.000 4.966) 8.242 3.259 ( 7.513 0.000 -8.161) 11.093 3.259 ( -7.513 0.000 8.161) 11.093 3.507 ( -4.070 0.000 -3.942) 5.666 3.507 ( 4.070 0.000 3.942) 5.666 3.664 ( -4.504 0.000 -2.790) 5.298 3.664 ( 4.504 0.000 2.790) 5.298 3.671 ( -5.321 0.000 -5.484) 7.641 3.671 ( 5.321 0.000 5.484) 7.641 4.084 ( 4.673 0.000 -2.120) 5.131 4.084 ( -4.673 0.000 2.120) 5.131 4.214 ( -5.035 0.000 -1.722) 5.321 4.214 ( 5.035 0.000 1.722) 5.321 4.266 ( 2.704 0.000 -1.053) 2.902 4.266 ( -2.704 0.000 1.053) 2.902 4.609 ( -1.143 0.000 0.083) 1.146 4.609 ( 1.143 0.000 -0.083) 1.146 4.699 ( -1.515 0.000 -7.748) 7.895 4.699 ( 1.515 0.000 7.748) 7.895 5.043 ( -3.233 0.000 -7.100) 7.801 5.043 ( 3.233 0.000 7.100) 7.801 5.150 ( 1.744 0.000 -3.251) 3.689 5.150 ( -1.744 0.000 3.251) 3.689 5.323 ( 0.369 0.000 -1.125) 1.183 5.323 ( -0.369 0.000 1.125) 1.183 5.528 ( -7.587 0.000 -2.114) 7.876 5.528 ( 7.587 0.000 2.114) 7.876 5.937 ( 0.767 0.000 -3.734) 3.812 5.937 ( -0.767 0.000 3.734) 3.812 6.181 ( -3.724 0.000 -2.493) 4.481 6.181 ( 3.724 0.000 2.493) 4.481 6.379 ( 14.901 0.000 -9.368) 17.602 6.379 ( -14.901 0.000 9.368) 17.602 6.527 ( -1.129 0.000 -0.887) 1.436 6.527 ( 1.129 0.000 0.887) 1.436 6.623 ( -1.499 0.000 -0.352) 1.539 6.623 ( 1.499 0.000 0.352) 1.539 7.358 ( -1.233 0.000 -7.958) 8.053 7.358 ( 1.233 0.000 7.958) 8.053 7.637 ( -1.305 0.000 -2.908) 3.187 7.637 ( 1.305 0.000 2.908) 3.187 7.965 ( -3.844 0.000 -4.266) 5.742 7.965 ( 3.844 0.000 4.266) 5.742 8.416 ( 2.687 0.000 -4.572) 5.303 8.416 ( -2.687 0.000 4.572) 5.303 8.659 ( -4.423 0.000 -0.566) 4.459 8.659 ( 4.423 0.000 0.566) 4.459 8.975 ( -4.618 0.000 -0.061) 4.619 8.975 ( 4.618 0.000 0.061) 4.619 9.703 ( 2.728 0.000 -1.544) 3.134 9.703 ( -2.728 0.000 1.544) 3.134 9.945 ( 0.564 0.000 -0.927) 1.085 9.945 ( -0.564 0.000 0.927) 1.085 10.521 ( -0.086 0.000 -5.079) 5.079 10.521 ( 0.086 0.000 5.079) 5.079 10.687 ( 0.395 0.000 -0.553) 0.680 10.687 ( -0.395 0.000 0.553) 0.680 10.863 ( -3.289 0.000 -4.996) 5.982 10.863 ( 3.289 0.000 4.996) 5.982 11.355 ( 0.818 0.000 -0.462) 0.940 11.355 ( -0.818 0.000 0.462) 0.940 12.692 ( -1.823 0.000 -1.875) 2.616 12.692 ( 1.823 0.000 1.875) 2.616 12.760 ( -3.608 0.000 0.781) 3.692 12.760 ( 3.608 0.000 -0.781) 3.692 14.060 ( 1.960 0.000 -1.829) 2.681 14.060 ( -1.960 0.000 1.829) 2.681 14.365 ( 0.180 0.000 -5.126) 5.129 14.365 ( -0.180 0.000 5.126) 5.129 14.813 ( 4.945 0.000 -3.076) 5.823 14.813 ( -4.945 0.000 3.076) 5.823 15.001 ( -4.231 0.000 0.966) 4.340 15.001 ( 4.231 0.000 -0.966) 4.340 15.609 ( -0.541 0.000 -1.618) 1.706 15.609 ( 0.541 0.000 1.618) 1.706 15.740 ( 0.592 0.000 -2.218) 2.296 15.740 ( -0.592 0.000 2.218) 2.296 15.983 ( -1.110 0.000 -1.081) 1.549 15.983 ( 1.110 0.000 1.081) 1.549 16.147 ( 1.624 0.000 -3.928) 4.251 16.147 ( -1.624 0.000 3.928) 4.251 16.822 ( -1.122 0.000 -0.191) 1.138 16.822 ( 1.122 0.000 0.191) 1.138 16.961 ( -1.037 0.000 -0.991) 1.434 16.961 ( 1.037 0.000 0.991) 1.434 17.841 ( -1.958 0.000 -1.993) 2.793 17.841 ( 1.958 0.000 1.993) 2.793 18.007 ( -1.442 0.000 -1.233) 1.897 18.007 ( 1.442 0.000 1.233) 1.897 21.576 ( 2.562 0.000 -1.545) 2.992 21.576 ( -2.562 0.000 1.545) 2.992 21.741 ( 3.259 0.000 -1.495) 3.586 21.741 ( -3.259 0.000 1.495) 3.586 27.120 ( -2.075 0.000 -4.085) 4.581 27.120 ( 2.075 0.000 4.085) 4.581 27.186 ( -4.794 0.000 -5.100) 7.000 27.186 ( 4.794 0.000 5.100) 7.000 28.869 ( -0.764 0.000 -0.200) 0.789 28.869 ( 0.764 0.000 0.200) 0.789 28.920 ( -0.982 0.000 -0.423) 1.069 28.920 ( 0.982 0.000 0.423) 1.069 29.988 ( 1.601 0.000 -3.635) 3.972 29.988 ( -1.601 0.000 3.635) 3.972 30.097 ( -4.650 0.000 -2.072) 5.091 30.097 ( 4.650 0.000 2.072) 5.091 30.921 ( -2.585 0.000 -4.870) 5.514 30.921 ( 2.585 0.000 4.870) 5.514 31.050 ( 5.582 0.000 -4.525) 7.185 31.050 ( -5.582 0.000 4.525) 7.185 31.705 ( 2.918 0.000 -3.952) 4.912 31.705 ( -2.918 0.000 3.952) 4.912 31.912 ( -6.078 0.000 -1.156) 6.187 31.912 ( 6.078 0.000 1.156) 6.187 32.496 ( -1.557 0.000 -6.994) 7.166 32.496 ( 1.557 0.000 6.994) 7.166 33.596 ( 1.968 0.000 -7.358) 7.617 33.596 ( -1.968 0.000 7.358) 7.617 33.714 ( -2.734 0.000 0.749) 2.834 33.714 ( 2.734 0.000 -0.749) 2.834 34.615 ( -8.482 0.000 2.479) 8.837 34.615 ( 8.482 0.000 -2.479) 8.837 ======================= Grid point 159 (71/88) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -0.413 7.203 -20.041) 21.300 1.115 ( 0.413 7.203 20.041) 21.300 1.459 ( -0.974 12.824 -26.273) 29.252 1.459 ( 0.974 12.824 26.273) 29.252 2.160 ( 5.332 23.209 -31.610) 39.577 2.160 ( -5.332 23.209 31.610) 39.577 2.598 ( -1.267 -2.639 -5.660) 6.373 2.598 ( 1.267 -2.639 5.660) 6.373 2.883 ( 2.157 -7.969 -9.144) 12.320 2.883 ( -2.157 -7.969 9.144) 12.320 3.102 ( -1.771 -5.882 -2.412) 6.599 3.102 ( 1.771 -5.882 2.412) 6.599 3.283 ( 0.340 -2.483 -0.699) 2.602 3.283 ( -0.340 -2.483 0.699) 2.602 3.336 ( -4.987 2.173 0.319) 5.449 3.336 ( 4.987 2.173 -0.319) 5.449 3.458 ( -1.284 1.656 -2.671) 3.395 3.458 ( 1.284 1.656 2.671) 3.395 3.738 ( 1.325 -9.628 -3.579) 10.357 3.738 ( -1.325 -9.628 3.579) 10.357 3.848 ( -0.302 -1.524 -1.916) 2.466 3.848 ( 0.302 -1.524 1.916) 2.466 4.121 ( -5.246 -2.582 -5.427) 7.978 4.121 ( 5.246 -2.582 5.427) 7.978 4.214 ( 2.491 -2.637 -4.328) 5.647 4.214 ( -2.491 -2.637 4.328) 5.647 4.430 ( 2.736 0.197 -6.142) 6.727 4.430 ( -2.736 0.197 6.142) 6.727 4.661 ( 0.172 1.398 -1.771) 2.263 4.661 ( -0.172 1.398 1.771) 2.263 4.924 ( -4.453 5.953 -2.677) 7.902 4.924 ( 4.453 5.953 2.677) 7.902 5.048 ( 0.972 3.559 -4.708) 5.981 5.048 ( -0.972 3.559 4.708) 5.981 5.143 ( -3.678 0.734 -0.584) 3.796 5.143 ( 3.678 0.734 0.584) 3.796 5.420 ( 2.169 -0.870 -4.089) 4.710 5.420 ( -2.169 -0.870 4.089) 4.710 5.954 ( 1.459 -6.106 -6.724) 9.199 5.954 ( -1.459 -6.106 6.724) 9.199 6.194 ( 1.785 -10.449 -3.609) 11.198 6.194 ( -1.785 -10.449 3.609) 11.198 6.399 ( 0.402 -7.742 -3.221) 8.395 6.399 ( -0.402 -7.742 3.221) 8.395 6.435 ( 4.757 8.872 -2.916) 10.481 6.435 ( -4.757 8.872 2.916) 10.481 6.986 ( -1.222 2.643 -10.842) 11.226 6.986 ( 1.222 2.643 10.842) 11.226 7.478 ( 0.184 -3.836 -4.878) 6.208 7.478 ( -0.184 -3.836 4.878) 6.208 7.678 ( -4.184 0.725 -4.019) 5.847 7.678 ( 4.184 0.725 4.019) 5.847 8.261 ( -5.412 1.324 -1.556) 5.785 8.261 ( 5.412 1.324 1.556) 5.785 8.490 ( 6.418 5.496 -7.236) 11.125 8.490 ( -6.418 5.496 7.236) 11.125 8.693 ( -0.599 -1.170 -3.145) 3.408 8.693 ( 0.599 -1.170 3.145) 3.408 9.009 ( 0.224 -5.448 -2.142) 5.859 9.009 ( -0.224 -5.448 2.142) 5.859 9.681 ( 0.885 8.186 -5.065) 9.666 9.681 ( -0.885 8.186 5.065) 9.666 10.059 ( -1.611 2.213 -5.739) 6.359 10.059 ( 1.611 2.213 5.739) 6.359 10.503 ( -5.081 -1.145 -3.798) 6.446 10.503 ( 5.081 -1.145 3.798) 6.446 10.702 ( 1.849 -1.824 -3.355) 4.243 10.702 ( -1.849 -1.824 3.355) 4.243 10.850 ( -1.623 0.309 -0.432) 1.707 10.850 ( 1.623 0.309 0.432) 1.707 11.240 ( 0.412 -4.980 -2.168) 5.447 11.240 ( -0.412 -4.980 2.168) 5.447 12.406 ( 1.296 6.003 -1.766) 6.390 12.406 ( -1.296 6.003 1.766) 6.390 12.878 ( -0.750 -1.285 -1.507) 2.118 12.878 ( 0.750 -1.285 1.507) 2.118 14.168 ( -0.552 -2.343 -2.225) 3.278 14.168 ( 0.552 -2.343 2.225) 3.278 14.293 ( 2.041 -0.354 -1.364) 2.480 14.293 ( -2.041 -0.354 1.364) 2.480 14.882 ( -1.799 -11.811 -8.007) 14.383 14.882 ( 1.799 -11.811 8.007) 14.383 15.375 ( 1.546 4.879 -4.234) 6.642 15.375 ( -1.546 4.879 4.234) 6.642 15.669 ( -2.993 1.364 -1.656) 3.683 15.669 ( 2.993 1.364 1.656) 3.683 15.787 ( -3.365 3.398 -0.778) 4.845 15.787 ( 3.365 3.398 0.778) 4.845 15.873 ( -0.342 3.942 -1.407) 4.200 15.873 ( 0.342 3.942 1.407) 4.200 16.253 ( -9.450 -2.988 -0.787) 9.942 16.253 ( 9.450 -2.988 0.787) 9.942 16.748 ( -7.297 -0.344 -2.843) 7.839 16.748 ( 7.297 -0.344 2.843) 7.839 16.874 ( 0.485 -0.777 -1.897) 2.107 16.874 ( -0.485 -0.777 1.897) 2.107 17.862 ( 2.097 1.302 -4.820) 5.415 17.862 ( -2.097 1.302 4.820) 5.415 18.182 ( -0.058 -2.166 -0.598) 2.247 18.182 ( 0.058 -2.166 0.598) 2.247 21.546 ( 1.620 5.500 -2.187) 6.136 21.546 ( -1.620 5.500 2.187) 6.136 21.994 ( -1.246 0.677 -1.070) 1.776 21.994 ( 1.246 0.677 1.070) 1.776 27.356 ( -1.051 -2.795 -2.046) 3.620 27.356 ( 1.051 -2.795 2.046) 3.620 27.807 ( -0.237 6.057 -6.306) 8.747 27.807 ( 0.237 6.057 6.306) 8.747 28.833 ( -0.058 -1.638 -1.061) 1.953 28.833 ( 0.058 -1.638 1.061) 1.953 29.095 ( 0.213 2.206 -3.093) 3.805 29.095 ( -0.213 2.206 3.093) 3.805 30.007 ( -0.529 0.217 -4.946) 4.978 30.007 ( 0.529 0.217 4.946) 4.978 30.467 ( -0.312 2.017 -1.036) 2.289 30.467 ( 0.312 2.017 1.036) 2.289 30.585 ( 0.138 2.904 -3.338) 4.427 30.585 ( -0.138 2.904 3.338) 4.427 31.279 ( -1.531 -4.780 -2.830) 5.762 31.279 ( 1.531 -4.780 2.830) 5.762 31.651 ( 1.939 -0.366 -2.655) 3.308 31.651 ( -1.939 -0.366 2.655) 3.308 31.716 ( -3.107 -0.399 -2.493) 4.004 31.716 ( 3.107 -0.399 2.493) 4.004 32.380 ( -15.074 1.179 -3.410) 15.500 32.380 ( 15.074 1.179 3.410) 15.500 33.032 ( 1.690 -14.754 -5.091) 15.699 33.032 ( -1.690 -14.754 5.091) 15.699 33.814 ( 1.085 6.828 -3.734) 7.858 33.814 ( -1.085 6.828 3.734) 7.858 33.922 ( -6.571 7.202 -6.881) 11.933 33.922 ( 6.571 7.202 6.881) 11.933 ======================= Grid point 161 (72/88) ======================= q-point: ( 0.10 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 14.405 1.925 -19.598) 24.399 1.308 ( 9.839 13.276 -18.858) 25.074 1.408 ( 11.653 7.310 9.369) 16.644 1.749 ( 7.575 13.606 22.725) 27.549 2.224 ( 25.674 23.782 -25.597) 43.358 2.399 ( 4.537 9.403 15.744) 18.891 2.531 ( 0.293 -2.411 -1.256) 2.734 2.650 ( 1.996 1.237 7.274) 7.644 2.881 ( 3.738 -8.744 -7.522) 12.125 2.965 ( 5.200 -3.924 -1.839) 6.769 3.081 ( 2.171 -8.324 -1.731) 8.775 3.157 ( 2.966 -2.952 0.321) 4.197 3.270 ( -0.358 -1.430 -2.164) 2.619 3.280 ( 0.427 1.151 1.410) 1.870 3.297 ( 2.073 1.463 -0.030) 2.537 3.371 ( -0.345 -0.239 -3.723) 3.747 3.458 ( 2.035 1.381 0.223) 2.469 3.560 ( 2.748 -4.536 7.437) 9.134 3.730 ( 0.081 -6.230 -0.428) 6.245 3.753 ( -5.210 -3.352 1.098) 6.292 3.783 ( 2.037 -4.699 6.119) 7.979 3.923 ( 1.079 0.242 -1.229) 1.653 3.983 ( 0.294 -3.089 -5.450) 6.271 4.143 ( -2.691 -0.928 -3.345) 4.392 4.206 ( -1.459 -3.198 0.925) 3.635 4.287 ( 4.586 2.527 3.591) 6.349 4.420 ( -0.612 0.286 3.951) 4.009 4.468 ( 1.758 -0.391 -1.830) 2.568 4.571 ( -6.730 5.014 0.721) 8.423 4.633 ( 0.028 1.633 -0.954) 1.891 4.810 ( -3.798 1.225 -4.615) 6.101 4.948 ( -4.472 4.571 -0.034) 6.395 5.056 ( 5.848 4.304 -0.001) 7.262 5.067 ( 5.266 8.447 2.170) 10.187 5.232 ( 7.661 -1.494 -0.219) 7.808 5.286 ( 4.790 3.137 -3.359) 6.638 5.437 ( 2.601 -5.871 -1.628) 6.625 5.530 ( 10.350 -3.527 0.810) 10.964 5.869 ( -5.292 -8.500 -1.942) 10.199 5.962 ( -2.681 -5.568 5.328) 8.160 6.132 ( -8.166 -7.052 2.988) 11.196 6.196 ( 1.269 -10.368 -5.055) 11.605 6.319 ( -2.514 -5.030 -4.521) 7.216 6.398 ( -2.494 -5.816 2.334) 6.745 6.443 ( 2.567 1.356 0.854) 3.026 6.524 ( 5.982 9.691 -2.093) 11.580 6.833 ( -6.926 8.578 -4.458) 11.893 7.014 ( -7.607 -2.137 10.063) 12.794 7.353 ( -6.380 -3.611 -3.946) 8.326 7.458 ( -4.165 -0.730 2.555) 4.940 7.653 ( 2.689 3.612 -3.124) 5.480 7.830 ( 6.061 -4.363 2.674) 7.933 8.157 ( -3.272 -0.144 1.595) 3.643 8.292 ( -5.079 7.237 0.012) 8.841 8.429 ( -1.639 3.130 2.162) 4.141 8.514 ( 1.703 3.843 -4.892) 6.450 8.651 ( -1.179 -1.320 1.652) 2.421 8.756 ( 0.716 -1.114 1.203) 1.789 9.001 ( 0.275 -5.473 -1.236) 5.618 9.048 ( 2.660 -4.661 1.625) 5.607 9.645 ( -1.332 6.732 -1.538) 7.032 9.710 ( -0.156 8.512 4.169) 9.479 9.984 ( -0.334 0.600 -6.241) 6.279 10.127 ( 1.726 4.725 0.955) 5.120 10.389 ( -3.269 -1.647 -3.816) 5.287 10.598 ( 2.590 -0.140 -0.461) 2.634 10.695 ( -0.739 -1.778 2.026) 2.795 10.713 ( 0.236 -2.631 -0.470) 2.683 10.824 ( -1.507 0.998 0.573) 1.896 10.900 ( 2.540 -2.538 2.726) 4.508 11.241 ( 1.144 -4.816 -1.550) 5.187 11.258 ( 0.342 -4.941 2.419) 5.512 12.404 ( 0.970 5.393 0.972) 5.565 12.455 ( 4.179 6.042 -1.399) 7.478 12.850 ( -0.884 -1.361 -0.976) 1.894 12.897 ( 0.184 -0.895 0.490) 1.037 14.124 ( -2.022 -2.373 -1.936) 3.670 14.170 ( -2.149 -0.238 1.590) 2.684 14.265 ( -1.920 -1.744 2.185) 3.391 14.318 ( 1.731 -1.323 -1.053) 2.420 14.773 ( -2.890 -9.499 -6.691) 11.973 14.936 ( -2.865 -9.762 7.549) 12.669 15.299 ( -4.348 3.125 -0.443) 5.373 15.370 ( -3.314 9.745 -0.790) 10.324 15.582 ( -2.831 -1.599 -0.046) 3.251 15.704 ( -2.125 2.561 -0.492) 3.364 15.755 ( 1.464 4.119 0.573) 4.409 15.844 ( 1.161 1.149 -0.364) 1.674 15.859 ( 0.578 3.114 -1.702) 3.596 15.902 ( 2.083 4.003 1.507) 4.758 16.111 ( -5.675 0.330 5.127) 7.655 16.391 ( -2.559 -3.011 0.252) 3.960 16.674 ( 4.752 -2.148 0.999) 5.310 16.797 ( -2.184 -0.644 0.499) 2.331 16.892 ( 1.375 -1.430 -1.813) 2.687 16.940 ( 5.652 -1.813 0.633) 5.970 17.837 ( -1.129 0.104 0.005) 1.134 17.880 ( -0.153 1.388 0.342) 1.438 18.158 ( -2.395 -2.314 0.583) 3.381 18.181 ( -1.056 -2.254 1.372) 2.842 21.506 ( -2.395 6.250 -0.241) 6.698 21.560 ( 1.217 5.019 -2.125) 5.584 21.931 ( -4.195 0.692 -0.894) 4.345 21.991 ( -2.019 0.244 0.871) 2.212 27.282 ( -3.292 -0.882 -4.588) 5.715 27.322 ( -3.729 -4.176 -5.582) 7.907 27.706 ( -6.856 5.271 2.395) 8.974 27.743 ( -11.955 9.433 6.538) 16.572 28.826 ( 0.251 -1.313 -1.070) 1.712 28.845 ( 0.471 -1.994 0.341) 2.077 29.059 ( -1.823 2.155 -0.902) 2.963 29.074 ( -4.185 2.404 2.109) 5.267 29.931 ( -2.027 1.258 -3.893) 4.565 29.977 ( -4.260 1.034 -1.290) 4.570 30.392 ( -5.950 1.800 -2.078) 6.555 30.469 ( -0.488 0.992 2.411) 2.652 30.550 ( 0.058 2.130 -2.689) 3.431 30.593 ( -0.414 3.778 2.088) 4.337 31.298 ( 3.922 -4.894 -1.476) 6.443 31.355 ( 2.526 -6.099 2.964) 7.237 31.613 ( -1.140 -1.415 -2.340) 2.963 31.626 ( -2.909 -0.128 4.815) 5.627 31.733 ( 0.080 1.940 1.627) 2.533 31.955 ( 13.346 -2.468 2.529) 13.806 32.080 ( -3.494 8.039 -7.904) 11.803 32.558 ( 3.690 1.277 -2.041) 4.405 33.117 ( 7.709 -14.734 -0.250) 16.631 33.153 ( 9.746 -11.396 0.541) 15.005 33.720 ( -4.970 8.189 1.517) 9.699 33.798 ( -1.882 5.966 -2.195) 6.630 33.920 ( 7.631 3.719 -4.085) 9.421 34.231 ( 14.449 -1.925 11.719) 18.703 ======================= Grid point 162 (73/88) ======================= q-point: ( 0.20 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 19.753 8.959 -10.682) 24.178 1.508 ( 21.915 2.073 -11.260) 24.725 1.747 ( 15.246 9.144 7.019) 19.114 2.015 ( 4.310 9.241 16.519) 19.412 2.389 ( -3.886 1.762 -4.760) 6.392 2.546 ( 13.131 0.439 -3.437) 13.581 2.686 ( 14.218 1.117 -5.777) 15.387 2.838 ( 9.721 -2.331 3.383) 10.554 2.930 ( 8.715 -2.235 -5.605) 10.600 3.017 ( 2.679 1.248 -4.161) 5.104 3.148 ( 4.766 2.262 0.065) 5.276 3.248 ( 2.024 -0.155 1.377) 2.453 3.253 ( 2.296 -2.102 -1.864) 3.629 3.294 ( 2.321 -2.526 -2.385) 4.178 3.333 ( 4.748 1.883 3.062) 5.955 3.446 ( 6.244 0.960 1.613) 6.520 3.481 ( -3.559 -2.530 -2.616) 5.090 3.535 ( -2.183 -2.665 2.249) 4.114 3.691 ( -4.582 -3.666 3.286) 6.725 3.756 ( 1.250 -5.170 1.058) 5.424 3.884 ( 3.186 1.386 0.838) 3.574 3.965 ( 8.561 0.251 2.045) 8.805 4.054 ( 5.469 -1.852 -2.044) 6.125 4.088 ( -1.005 -1.256 2.333) 2.833 4.159 ( -2.378 3.922 0.948) 4.683 4.363 ( 0.760 2.436 0.901) 2.706 4.463 ( 3.406 -3.788 -2.792) 5.809 4.486 ( 0.331 10.715 3.163) 11.178 4.498 ( -0.507 -1.651 1.666) 2.400 4.665 ( 3.245 2.236 -0.837) 4.029 4.769 ( 2.320 1.728 -2.168) 3.615 4.898 ( -2.187 6.207 2.763) 7.138 5.124 ( 1.478 2.582 -2.154) 3.673 5.169 ( 2.381 6.353 2.181) 7.126 5.314 ( 1.225 -0.334 1.718) 2.136 5.338 ( 2.954 0.284 -2.982) 4.208 5.490 ( 5.227 -3.777 -3.898) 7.535 5.693 ( 4.709 -6.236 -2.289) 8.142 5.801 ( 1.821 -9.958 -0.369) 10.130 5.919 ( -7.720 -7.573 5.241) 12.017 6.017 ( -1.336 -5.554 -1.991) 6.049 6.129 ( -4.155 -10.383 -4.212) 11.951 6.234 ( -2.575 0.771 -4.260) 5.037 6.375 ( -0.003 -5.335 -0.104) 5.336 6.520 ( 3.616 -0.011 1.304) 3.844 6.589 ( 1.591 6.076 -2.234) 6.667 6.708 ( -3.585 10.985 0.309) 11.559 6.893 ( -11.150 -3.041 9.587) 15.016 7.255 ( -0.987 -2.487 -2.398) 3.593 7.389 ( -4.311 1.045 1.237) 4.605 7.676 ( 1.646 4.235 -2.668) 5.269 7.910 ( 0.637 -4.817 1.958) 5.239 8.136 ( -3.765 4.272 -2.744) 6.321 8.159 ( -5.189 2.166 2.901) 6.327 8.408 ( -1.283 0.938 -0.611) 1.703 8.500 ( -1.685 1.989 1.075) 2.820 8.669 ( 0.653 1.290 2.295) 2.713 8.740 ( -1.440 -2.434 -0.525) 2.876 8.992 ( -0.948 -4.176 -0.866) 4.369 9.099 ( 0.658 -3.641 1.615) 4.038 9.625 ( -0.418 6.216 1.525) 6.414 9.743 ( 0.264 7.618 3.992) 8.604 9.948 ( 0.986 -0.521 -5.472) 5.584 10.135 ( -0.072 5.782 -2.291) 6.220 10.336 ( -0.399 -1.405 -0.572) 1.569 10.598 ( -0.142 0.006 -3.364) 3.367 10.687 ( -2.511 -1.588 3.191) 4.360 10.703 ( -1.358 -2.711 0.919) 3.168 10.797 ( -0.394 0.021 -2.329) 2.362 10.973 ( 2.230 -4.326 2.377) 5.417 11.253 ( 1.166 -4.941 -1.341) 5.250 11.285 ( 0.914 -4.837 1.325) 5.097 12.453 ( 3.032 3.684 1.222) 4.925 12.536 ( 5.144 5.862 -0.661) 7.827 12.830 ( -1.060 -1.678 0.165) 1.992 12.893 ( -0.498 0.104 -0.225) 0.556 14.071 ( -1.910 -1.729 -1.645) 3.057 14.128 ( -2.922 0.438 1.429) 3.282 14.257 ( -0.900 -3.009 2.320) 3.905 14.348 ( 1.991 -2.347 -0.572) 3.130 14.692 ( -0.350 -5.730 -5.489) 7.943 14.912 ( -3.889 -4.735 5.119) 7.985 15.209 ( -5.165 3.875 -0.630) 6.488 15.274 ( -4.928 8.591 -1.201) 9.977 15.558 ( -0.355 -3.562 -0.049) 3.580 15.675 ( -0.889 2.218 0.520) 2.445 15.778 ( 1.190 4.483 -0.993) 4.743 15.823 ( -1.779 2.491 -0.036) 3.061 15.877 ( 1.767 1.606 -1.255) 2.698 15.965 ( 2.728 2.026 1.211) 3.608 16.091 ( -1.327 0.336 4.885) 5.073 16.287 ( -4.235 1.822 -2.647) 5.316 16.761 ( -0.873 0.406 -0.358) 1.027 16.791 ( 3.291 -5.336 1.552) 6.458 16.897 ( 0.682 -1.707 -1.335) 2.272 17.016 ( 1.846 -2.478 0.402) 3.116 17.806 ( -0.864 -0.158 -2.896) 3.026 17.878 ( -0.574 0.230 2.051) 2.143 18.100 ( -3.954 -2.080 0.315) 4.479 18.156 ( -3.063 -2.919 1.510) 4.492 21.475 ( 0.036 5.744 -0.926) 5.819 21.569 ( 1.435 4.547 -1.788) 5.093 21.842 ( -4.379 -0.065 -0.496) 4.407 21.948 ( -3.161 -0.106 0.990) 3.314 27.166 ( -5.357 -0.307 -6.672) 8.562 27.182 ( -3.702 -0.283 -3.637) 5.197 27.545 ( -11.060 9.242 2.873) 14.696 27.605 ( -7.297 3.043 4.185) 8.946 28.826 ( 0.572 -1.048 -0.859) 1.471 28.854 ( 0.451 -2.073 -0.202) 2.131 29.003 ( -2.926 2.922 -0.714) 4.196 29.022 ( -2.298 1.569 0.738) 2.879 29.882 ( -0.884 1.464 -1.843) 2.515 29.926 ( 0.634 0.600 -1.700) 1.911 30.253 ( -6.592 1.501 -1.298) 6.884 30.431 ( -4.945 -1.420 1.510) 5.362 30.591 ( 3.540 2.523 1.103) 4.485 30.634 ( 4.946 3.719 -1.060) 6.279 31.302 ( -1.843 -4.838 -1.513) 5.394 31.454 ( 3.923 -7.859 1.655) 8.938 31.514 ( -3.651 3.646 -1.158) 5.288 31.696 ( 1.737 1.621 4.029) 4.678 31.739 ( 1.040 1.427 2.681) 3.210 31.928 ( 0.009 4.568 -6.458) 7.911 32.312 ( 11.829 -0.491 3.202) 12.265 32.564 ( 0.513 5.411 -3.480) 6.454 33.267 ( 6.465 -11.902 3.239) 13.927 33.333 ( 9.371 -6.397 -1.150) 11.404 33.657 ( -2.964 7.063 1.380) 7.783 33.778 ( 0.898 4.717 -2.127) 5.252 34.048 ( 10.431 -1.597 -6.229) 12.254 34.535 ( 6.213 -9.419 12.478) 16.823 ======================= Grid point 163 (74/88) ======================= q-point: ( 0.30 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 25.386 7.354 2.980) 26.597 1.841 ( 18.628 -3.333 -5.740) 19.775 2.056 ( 14.127 8.341 0.712) 16.422 2.191 ( 4.182 5.081 8.284) 10.580 2.302 ( 0.745 5.597 -2.435) 6.149 2.685 ( 3.793 -4.303 -2.156) 6.128 2.801 ( 5.591 -6.779 -2.196) 9.058 2.962 ( -0.319 1.870 -5.251) 5.584 2.995 ( 2.760 -3.219 1.885) 4.641 3.067 ( 3.730 0.104 -2.048) 4.256 3.187 ( -6.502 -3.196 3.191) 7.916 3.200 ( -1.377 1.217 0.625) 1.941 3.320 ( 0.575 -4.532 1.875) 4.938 3.333 ( -2.356 5.157 0.515) 5.693 3.403 ( -0.618 0.892 0.798) 1.347 3.465 ( 6.178 -3.379 -3.181) 7.727 3.583 ( -2.783 -3.531 0.679) 4.547 3.618 ( 8.285 3.492 -0.478) 9.004 3.651 ( 14.352 5.465 -2.409) 15.545 3.781 ( -0.519 -2.790 2.299) 3.652 3.951 ( -1.043 3.114 2.578) 4.175 3.983 ( -4.030 -4.409 0.652) 6.009 4.098 ( 7.235 3.281 -0.869) 7.992 4.184 ( 4.405 -0.384 -1.334) 4.619 4.296 ( 7.049 -1.838 5.169) 8.932 4.382 ( 2.133 6.844 3.077) 7.801 4.455 ( 0.578 0.280 -5.584) 5.621 4.529 ( 2.621 -0.637 2.013) 3.366 4.561 ( 2.774 4.864 2.399) 6.092 4.710 ( 0.715 -2.842 3.022) 4.209 4.857 ( 9.006 4.278 -4.897) 11.108 4.883 ( -2.778 7.082 3.334) 8.306 5.123 ( 2.739 3.025 -3.206) 5.190 5.183 ( -1.444 2.887 0.563) 3.277 5.326 ( 0.428 -2.211 0.173) 2.258 5.363 ( 0.143 2.427 2.330) 3.367 5.518 ( 0.287 1.885 -3.623) 4.094 5.732 ( 0.715 -6.215 -0.674) 6.292 5.839 ( -1.186 -7.255 -0.300) 7.357 5.855 ( 3.633 -7.644 -4.491) 9.581 5.990 ( 0.363 -9.756 -1.818) 9.930 6.069 ( 0.878 -4.450 -1.588) 4.806 6.172 ( -1.491 -1.243 -1.663) 2.556 6.395 ( 1.682 -5.916 0.537) 6.174 6.551 ( 0.048 2.596 -0.707) 2.691 6.587 ( -0.558 1.871 -0.857) 2.132 6.687 ( 1.102 7.284 0.035) 7.367 6.799 ( -6.960 1.185 9.539) 11.867 7.263 ( 2.586 -2.611 -1.328) 3.908 7.324 ( -3.649 1.573 2.315) 4.599 7.663 ( -1.569 2.151 -0.690) 2.750 7.880 ( -4.002 -2.640 -2.345) 5.337 8.015 ( -2.390 10.135 -4.043) 11.170 8.119 ( -3.089 -2.340 1.338) 4.099 8.388 ( -1.044 -0.813 0.640) 1.470 8.474 ( -3.586 0.702 5.444) 6.556 8.645 ( -2.567 -2.317 -0.968) 3.591 8.766 ( 3.809 0.847 -0.585) 3.946 8.934 ( -3.907 -1.628 -2.310) 4.822 9.093 ( -2.781 -3.281 2.089) 4.782 9.650 ( 0.667 5.752 3.605) 6.822 9.774 ( 0.337 6.457 1.844) 6.724 9.931 ( 0.682 -1.055 -2.930) 3.188 10.095 ( -1.156 5.185 -4.536) 6.985 10.368 ( 2.131 -0.213 4.244) 4.754 10.570 ( 0.191 0.462 -2.886) 2.929 10.658 ( -3.218 -2.433 4.179) 5.808 10.681 ( -1.708 -2.635 1.321) 3.407 10.775 ( 0.544 -1.226 -3.867) 4.093 10.994 ( -0.733 -4.065 -1.359) 4.349 11.263 ( 1.120 -5.701 -1.255) 5.944 11.308 ( 0.757 -4.887 0.022) 4.945 12.526 ( 3.686 2.056 0.975) 4.331 12.631 ( 5.043 5.369 0.041) 7.366 12.802 ( -2.199 -1.813 0.177) 2.856 12.881 ( -0.778 1.219 0.183) 1.458 14.034 ( -0.622 -1.233 -1.320) 1.910 14.092 ( -2.141 -0.575 1.521) 2.688 14.268 ( -0.056 -3.305 2.736) 4.291 14.372 ( 1.239 -2.858 -1.784) 3.590 14.682 ( 3.042 -2.440 -3.516) 5.251 14.889 ( -2.011 -1.473 3.222) 4.074 15.101 ( -5.220 5.584 -0.943) 7.702 15.177 ( -4.844 3.115 -0.358) 5.771 15.556 ( -0.005 -3.172 0.226) 3.180 15.662 ( -0.972 0.762 -0.468) 1.321 15.780 ( -0.458 3.534 -0.664) 3.625 15.804 ( 0.468 4.833 -0.463) 4.877 15.908 ( 2.254 1.145 -0.335) 2.551 16.008 ( 0.947 1.207 0.622) 1.655 16.113 ( 0.252 -0.385 2.434) 2.478 16.216 ( -1.952 2.411 -0.992) 3.257 16.764 ( 1.416 1.348 -0.222) 1.968 16.825 ( 0.728 -2.815 -0.726) 2.997 16.902 ( 0.305 -2.832 0.038) 2.849 17.021 ( -0.916 -2.009 -0.514) 2.267 17.779 ( -0.025 -0.253 -1.240) 1.266 17.885 ( -0.252 -0.964 1.153) 1.524 18.024 ( -3.912 -1.913 0.103) 4.356 18.094 ( -3.796 -3.138 0.028) 4.925 21.493 ( 2.144 3.764 -0.279) 4.341 21.589 ( 1.855 4.070 -0.988) 4.581 21.767 ( -3.294 -0.774 -0.122) 3.386 21.888 ( -3.990 -0.148 0.909) 4.095 27.069 ( -1.534 1.135 -0.751) 2.050 27.106 ( -2.591 0.377 -0.294) 2.634 27.381 ( -7.633 5.290 -0.550) 9.303 27.484 ( -7.587 1.507 0.517) 7.753 28.834 ( 0.831 -0.850 -0.614) 1.338 28.861 ( 0.491 -1.492 -0.001) 1.571 28.957 ( -1.573 2.520 -0.608) 3.032 28.986 ( -2.044 1.064 0.515) 2.362 29.881 ( 1.339 0.545 0.578) 1.557 29.942 ( 1.737 -0.135 -1.269) 2.156 30.140 ( -5.005 1.104 0.529) 5.153 30.331 ( -6.106 -1.799 0.069) 6.365 30.679 ( 4.446 2.810 2.986) 6.048 30.748 ( 8.523 2.815 -3.834) 9.760 31.228 ( -4.548 -2.916 -1.648) 5.649 31.370 ( -7.849 -0.110 0.921) 7.904 31.600 ( 6.563 -0.862 1.109) 6.712 31.714 ( 0.496 2.750 -0.425) 2.827 31.783 ( -0.835 -1.233 0.273) 1.514 31.934 ( 1.922 1.300 3.599) 4.283 32.461 ( 2.192 3.533 1.390) 4.384 32.567 ( 4.729 5.966 -6.360) 9.920 33.399 ( 4.062 -8.628 5.066) 10.799 33.486 ( 7.906 -4.983 -1.897) 9.536 33.627 ( -0.883 4.937 0.608) 5.053 33.787 ( 1.430 4.806 -2.002) 5.399 34.214 ( 11.603 -4.242 -4.967) 13.316 34.655 ( -0.738 -9.439 7.137) 11.857 ======================= Grid point 164 (75/88) ======================= q-point: ( 0.40 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 11.627 -2.159 -4.526) 12.663 2.176 ( 14.693 2.427 8.362) 17.079 2.274 ( 5.667 5.725 3.066) 8.620 2.303 ( 10.549 0.459 -3.264) 11.052 2.434 ( 8.521 8.073 6.397) 13.368 2.694 ( 2.066 -1.094 -6.903) 7.288 2.828 ( -4.431 -0.749 0.799) 4.565 2.917 ( 0.287 2.721 -3.360) 4.333 3.006 ( 3.508 2.970 -4.172) 6.207 3.080 ( -2.592 1.873 1.153) 3.400 3.116 ( -2.294 -2.837 -2.026) 4.173 3.219 ( 0.321 -6.399 4.856) 8.040 3.267 ( -3.081 1.956 -1.292) 3.871 3.307 ( -3.231 1.427 2.508) 4.332 3.410 ( -1.961 -0.287 4.697) 5.098 3.492 ( 2.682 -4.279 2.709) 5.731 3.536 ( -1.373 -3.804 -0.679) 4.101 3.653 ( -3.167 -0.883 0.706) 3.363 3.728 ( -6.691 -2.075 3.019) 7.628 3.824 ( -6.334 -2.613 -3.367) 7.634 3.944 ( 12.334 1.347 -4.876) 13.331 4.058 ( 8.047 2.819 -1.445) 8.648 4.221 ( 1.166 1.665 0.496) 2.092 4.269 ( -5.166 1.870 1.474) 5.688 4.295 ( 4.122 4.212 1.656) 6.121 4.404 ( -3.520 0.638 -2.908) 4.611 4.477 ( 8.074 5.125 1.022) 9.617 4.581 ( 2.207 2.972 1.622) 4.041 4.655 ( 2.639 -2.374 0.120) 3.552 4.819 ( 7.366 -3.593 5.444) 9.839 4.832 ( -2.864 6.292 -1.484) 7.070 4.983 ( 6.582 -1.674 -2.081) 7.104 5.151 ( -1.878 -1.535 1.190) 2.702 5.166 ( 1.258 3.400 -1.942) 4.113 5.364 ( 2.070 0.772 1.168) 2.500 5.376 ( -0.711 3.059 1.823) 3.632 5.480 ( -0.625 3.904 -0.736) 4.022 5.658 ( -4.082 -2.363 -5.355) 7.136 5.878 ( 6.683 -6.819 -9.612) 13.548 5.919 ( 5.583 -5.203 4.009) 8.621 6.008 ( -0.695 -1.374 0.803) 1.737 6.083 ( 1.054 -8.860 -1.330) 9.021 6.168 ( 2.850 -5.227 0.749) 6.000 6.412 ( -2.239 -6.628 1.653) 7.189 6.548 ( -0.926 2.161 -1.509) 2.794 6.555 ( -0.451 0.983 -0.127) 1.089 6.722 ( 0.285 5.157 2.354) 5.677 6.756 ( -2.634 8.051 3.250) 9.073 7.291 ( -0.058 1.700 1.637) 2.361 7.311 ( 0.995 -4.354 0.166) 4.469 7.629 ( -1.790 0.932 2.572) 3.270 7.763 ( -3.702 1.710 -6.403) 7.591 7.983 ( 0.794 6.904 -1.440) 7.097 8.069 ( -2.668 0.014 -0.421) 2.701 8.375 ( -0.641 -3.802 0.664) 3.913 8.438 ( -4.639 -2.326 4.475) 6.852 8.624 ( 1.554 1.228 0.121) 1.985 8.804 ( -2.326 4.943 -4.770) 7.253 8.859 ( 1.958 -4.132 0.573) 4.608 9.032 ( -5.069 -3.048 1.777) 6.176 9.695 ( 0.745 4.246 4.217) 6.031 9.775 ( -0.140 4.468 -2.232) 4.996 9.935 ( 0.521 0.881 1.556) 1.862 10.032 ( -1.375 4.205 -5.094) 6.747 10.461 ( 2.330 0.931 7.114) 7.543 10.561 ( 1.030 1.778 -3.345) 3.926 10.643 ( -1.612 -3.808 3.819) 5.629 10.664 ( -0.981 -2.768 0.708) 3.021 10.765 ( 1.274 -2.554 -1.704) 3.324 10.928 ( -3.383 -3.702 -4.579) 6.791 11.278 ( 1.277 -5.982 -0.789) 6.168 11.311 ( -0.204 -5.205 -0.452) 5.229 12.603 ( 3.738 0.712 0.781) 3.884 12.714 ( 2.463 3.360 -0.157) 4.169 12.760 ( -0.950 -0.010 -0.020) 0.951 12.859 ( -2.000 2.139 0.406) 2.956 14.028 ( 0.853 -1.143 -1.186) 1.855 14.066 ( -1.896 -1.221 1.444) 2.677 14.295 ( 0.299 -3.112 3.656) 4.811 14.364 ( 0.274 -3.090 -3.713) 4.838 14.742 ( 5.198 0.057 -2.096) 5.605 14.879 ( -2.138 0.526 2.843) 3.596 15.015 ( -2.224 3.429 -1.619) 4.396 15.087 ( -4.836 1.122 0.745) 5.020 15.562 ( 0.335 -1.976 0.681) 2.117 15.626 ( -1.682 -0.443 -1.781) 2.489 15.779 ( -0.114 4.048 2.190) 4.604 15.810 ( 1.019 5.006 -2.434) 5.659 15.952 ( 2.157 0.546 0.334) 2.250 16.012 ( -0.572 0.665 -0.136) 0.888 16.134 ( 1.339 0.072 -0.421) 1.405 16.187 ( -1.616 2.095 1.087) 2.860 16.800 ( 2.046 1.126 0.097) 2.337 16.829 ( 0.405 -0.715 -0.566) 0.998 16.911 ( 0.387 -2.914 0.894) 3.073 16.984 ( -2.055 -1.690 -1.218) 2.926 17.788 ( 1.045 -0.702 0.907) 1.551 17.873 ( -1.435 -1.349 -0.787) 2.121 17.972 ( -1.538 -2.008 0.794) 2.651 18.026 ( -2.871 -3.056 -0.925) 4.294 21.542 ( 2.978 2.064 -0.250) 3.632 21.614 ( 0.509 3.223 0.268) 3.274 21.722 ( -0.612 -0.719 -0.728) 1.192 21.815 ( -4.343 0.242 0.821) 4.427 27.086 ( 0.288 0.833 3.011) 3.137 27.090 ( 1.426 0.593 3.236) 3.585 27.245 ( -5.232 2.971 -3.066) 6.753 27.336 ( -6.721 0.706 -3.259) 7.502 28.848 ( 1.037 -0.467 -0.288) 1.173 28.872 ( 0.252 -0.707 0.347) 0.827 28.930 ( -0.787 1.689 -0.379) 1.901 28.954 ( -1.552 0.786 0.047) 1.740 29.935 ( 2.709 -0.298 2.662) 3.810 29.965 ( 1.845 -0.501 -1.562) 2.469 30.074 ( -2.619 0.581 1.199) 2.939 30.208 ( -6.217 -1.487 -1.431) 6.550 30.805 ( 6.131 2.339 3.347) 7.366 30.884 ( 9.254 2.823 -4.720) 10.765 31.112 ( -6.016 -1.531 -1.819) 6.469 31.217 ( -9.437 1.505 1.953) 9.753 31.699 ( 3.518 1.515 -5.007) 6.304 31.726 ( -1.661 -0.480 3.855) 4.225 31.778 ( 3.945 -0.335 0.916) 4.064 31.971 ( -2.581 -2.060 3.759) 5.004 32.497 ( 1.329 7.553 3.397) 8.388 32.596 ( 2.915 4.932 -7.306) 9.284 33.495 ( 1.936 -6.466 4.940) 8.364 33.564 ( 1.883 -5.472 -3.099) 6.565 33.662 ( 4.074 3.959 1.218) 5.810 33.787 ( -0.013 4.328 -2.236) 4.872 34.394 ( 10.353 -5.184 -2.768) 11.905 34.642 ( -4.531 -7.634 3.419) 9.513 ======================= Grid point 165 (76/88) ======================= q-point: (-0.50 0.17 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 3.462 1.909 -3.495) 5.276 2.230 ( -3.462 1.909 3.495) 5.276 2.405 ( 1.371 -0.785 -5.489) 5.712 2.405 ( -1.371 -0.785 5.489) 5.712 2.625 ( -5.453 5.709 -4.032) 8.865 2.625 ( 5.453 5.709 4.032) 8.865 2.865 ( -8.101 1.188 -1.847) 8.393 2.865 ( 8.101 1.188 1.847) 8.393 3.005 ( 4.671 0.679 -5.335) 7.124 3.005 ( -4.671 0.679 5.335) 7.124 3.161 ( 8.096 1.662 -6.234) 10.352 3.161 ( -8.096 1.662 6.234) 10.352 3.262 ( 3.444 -0.727 -6.825) 7.679 3.262 ( -3.444 -0.727 6.825) 7.679 3.474 ( -4.967 -2.853 -2.479) 6.242 3.474 ( 4.967 -2.853 2.479) 6.242 3.604 ( -0.470 -4.872 -3.379) 5.948 3.604 ( 0.470 -4.872 3.379) 5.948 3.663 ( -2.165 -0.612 -7.450) 7.783 3.663 ( 2.165 -0.612 7.450) 7.783 4.097 ( -0.870 0.851 0.145) 1.226 4.097 ( 0.870 0.851 -0.145) 1.226 4.255 ( -6.959 2.788 -1.464) 7.638 4.255 ( 6.959 2.788 1.464) 7.638 4.299 ( 2.480 3.486 -2.414) 4.912 4.299 ( -2.480 3.486 2.414) 4.912 4.592 ( 0.124 -0.163 -1.477) 1.491 4.592 ( -0.124 -0.163 1.477) 1.491 4.745 ( -4.068 3.878 -6.029) 8.242 4.745 ( 4.068 3.878 6.029) 8.242 4.999 ( -3.950 -3.960 -5.774) 8.039 4.999 ( 3.950 -3.960 5.774) 8.039 5.137 ( 0.051 -1.925 -1.811) 2.644 5.137 ( -0.051 -1.925 1.811) 2.644 5.377 ( 0.293 3.570 -1.384) 3.840 5.377 ( -0.293 3.570 1.384) 3.840 5.536 ( -3.087 2.549 -4.967) 6.380 5.536 ( 3.087 2.549 4.967) 6.380 5.944 ( 6.116 -1.617 -5.831) 8.603 5.944 ( -6.116 -1.617 5.831) 8.603 6.056 ( -2.307 -9.731 -3.011) 10.444 6.056 ( 2.307 -9.731 3.011) 10.444 6.302 ( -5.898 -4.910 -1.925) 7.912 6.302 ( 5.898 -4.910 1.925) 7.912 6.538 ( 0.788 1.939 -0.977) 2.310 6.538 ( -0.788 1.939 0.977) 2.310 6.740 ( 1.087 7.613 -4.151) 8.739 6.740 ( -1.087 7.613 4.151) 8.739 7.312 ( 0.326 -2.117 -2.822) 3.543 7.312 ( -0.326 -2.117 2.822) 3.543 7.661 ( -1.641 2.071 -5.820) 6.391 7.661 ( 1.641 2.071 5.820) 6.391 8.014 ( -2.014 3.272 -0.752) 3.915 8.014 ( 2.014 3.272 0.752) 3.915 8.387 ( 1.171 -4.625 -0.790) 4.836 8.387 ( -1.171 -4.625 0.790) 4.836 8.696 ( -3.004 3.839 -4.319) 6.512 8.696 ( 3.004 3.839 4.319) 6.512 8.941 ( 0.206 -2.951 -3.705) 4.741 8.941 ( -0.206 -2.951 3.705) 4.741 9.741 ( 2.097 3.333 -8.272) 9.161 9.741 ( -2.097 3.333 8.272) 9.161 9.973 ( -0.715 3.052 -4.524) 5.504 9.973 ( 0.715 3.052 4.524) 5.504 10.538 ( -0.122 1.814 -5.865) 6.141 10.538 ( 0.122 1.814 5.865) 6.141 10.651 ( -0.129 -3.284 -1.357) 3.556 10.651 ( 0.129 -3.284 1.357) 3.556 10.821 ( -3.597 -3.655 -3.911) 6.449 10.821 ( 3.597 -3.655 3.911) 6.449 11.297 ( 0.749 -5.633 -2.193) 6.092 11.297 ( -0.749 -5.633 2.193) 6.092 12.676 ( -3.287 -0.247 -0.753) 3.381 12.676 ( 3.287 -0.247 0.753) 3.381 12.810 ( -3.176 3.240 -0.086) 4.538 12.810 ( 3.176 3.240 0.086) 4.538 14.043 ( 1.418 -1.276 -1.473) 2.410 14.043 ( -1.418 -1.276 1.473) 2.410 14.332 ( 0.101 -3.005 -4.700) 5.580 14.332 ( -0.101 -3.005 4.700) 5.580 14.828 ( 5.047 1.415 -2.386) 5.759 14.828 ( -5.047 1.415 2.386) 5.759 15.015 ( 3.244 1.084 -1.538) 3.751 15.015 ( -3.244 1.084 1.538) 3.751 15.584 ( -0.267 -1.075 -2.509) 2.743 15.584 ( 0.267 -1.075 2.509) 2.743 15.800 ( 0.623 4.517 -3.722) 5.886 15.800 ( -0.623 4.517 3.722) 5.886 15.989 ( -0.561 0.253 -1.332) 1.467 15.989 ( 0.561 0.253 1.332) 1.467 16.161 ( 1.549 1.268 -2.910) 3.532 16.161 ( -1.549 1.268 2.910) 3.532 16.827 ( -0.053 0.442 -0.556) 0.712 16.827 ( 0.053 0.442 0.556) 0.712 16.937 ( -1.576 -2.196 -1.324) 3.010 16.937 ( 1.576 -2.196 1.324) 3.010 17.827 ( -1.855 -1.088 -1.738) 2.765 17.827 ( 1.855 -1.088 1.738) 2.765 17.979 ( -1.094 -2.601 -1.232) 3.079 17.979 ( 1.094 -2.601 1.232) 3.079 21.594 ( -0.246 1.621 -0.919) 1.879 21.594 ( 0.246 1.621 0.919) 1.879 21.746 ( -0.426 0.447 -0.376) 0.723 21.746 ( 0.426 0.447 0.376) 0.723 27.133 ( -2.047 1.100 -3.351) 4.078 27.133 ( 2.047 1.100 3.351) 4.078 27.196 ( -4.156 0.900 -4.316) 6.059 27.196 ( 4.156 0.900 4.316) 6.059 28.866 ( -0.829 -0.138 0.010) 0.840 28.866 ( 0.829 -0.138 -0.010) 0.840 28.930 ( -0.727 0.817 -0.238) 1.120 28.930 ( 0.727 0.817 0.238) 1.120 29.982 ( 1.367 -0.550 -3.171) 3.496 29.982 ( -1.367 -0.550 3.171) 3.496 30.091 ( -3.988 -0.522 -1.752) 4.387 30.091 ( 3.988 -0.522 1.752) 4.387 30.944 ( -3.188 1.978 -4.471) 5.836 30.944 ( 3.188 1.978 4.471) 5.836 31.062 ( 2.590 1.015 -3.557) 4.516 31.062 ( -2.590 1.015 3.557) 4.516 31.710 ( 2.357 0.521 -4.297) 4.928 31.710 ( -2.357 0.521 4.297) 4.928 31.896 ( -5.562 -1.480 -0.820) 5.814 31.896 ( 5.562 -1.480 0.820) 5.814 32.561 ( -0.360 6.420 -6.941) 9.462 32.561 ( 0.360 6.420 6.941) 9.462 33.549 ( 0.726 -5.419 -5.224) 7.562 33.549 ( -0.726 -5.419 5.224) 7.562 33.745 ( -0.754 3.521 -3.853) 5.274 33.745 ( 0.754 3.521 3.853) 5.274 34.547 ( 1.017 -6.139 -4.404) 7.624 34.547 ( -1.017 -6.139 4.404) 7.624 ======================= Grid point 171 (77/88) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( -4.465 11.334 -9.589) 15.503 1.347 ( 4.465 11.334 9.589) 15.503 1.781 ( -3.801 19.087 -17.755) 26.344 1.781 ( 3.801 19.087 17.755) 26.344 2.435 ( 0.068 -2.250 -9.033) 9.309 2.435 ( -0.068 -2.250 9.033) 9.309 2.657 ( -2.443 1.651 -9.570) 10.014 2.657 ( 2.443 1.651 9.570) 10.014 2.721 ( 0.201 -5.490 -8.774) 10.351 2.721 ( -0.201 -5.490 8.774) 10.351 2.957 ( 1.677 -0.463 -6.365) 6.598 2.957 ( -1.677 -0.463 6.365) 6.598 3.255 ( 1.971 2.559 -4.871) 5.844 3.255 ( -1.971 2.559 4.871) 5.844 3.355 ( -0.043 0.004 -4.097) 4.098 3.355 ( 0.043 0.004 4.097) 4.098 3.486 ( 0.263 -1.474 -3.239) 3.568 3.486 ( -0.263 -1.474 3.239) 3.568 3.645 ( -1.080 1.122 -2.515) 2.959 3.645 ( 1.080 1.122 2.515) 2.959 3.819 ( 4.159 -0.703 -2.823) 5.075 3.819 ( -4.159 -0.703 2.823) 5.075 3.977 ( -3.010 -9.185 -7.072) 11.976 3.977 ( 3.010 -9.185 7.072) 11.976 4.263 ( -0.844 3.738 -1.558) 4.136 4.263 ( 0.844 3.738 1.558) 4.136 4.475 ( 1.859 5.780 -4.279) 7.428 4.475 ( -1.859 5.780 4.279) 7.428 4.615 ( 0.258 -3.133 -3.312) 4.566 4.615 ( -0.258 -3.133 3.312) 4.566 4.944 ( -4.620 -6.127 -1.569) 7.833 4.944 ( 4.620 -6.127 1.569) 7.833 5.112 ( -2.439 2.205 -0.601) 3.343 5.112 ( 2.439 2.205 0.601) 3.343 5.195 ( -5.016 2.885 0.034) 5.787 5.195 ( 5.016 2.885 -0.034) 5.787 5.478 ( 1.917 6.247 -2.928) 7.160 5.478 ( -1.917 6.247 2.928) 7.160 5.782 ( -0.638 -10.100 -4.812) 11.206 5.782 ( 0.638 -10.100 4.812) 11.206 5.995 ( 1.498 -5.533 -7.756) 9.644 5.995 ( -1.498 -5.533 7.756) 9.644 6.272 ( 2.312 -4.072 -1.344) 4.872 6.272 ( -2.312 -4.072 1.344) 4.872 6.643 ( 5.002 8.483 -5.163) 11.119 6.643 ( -5.002 8.483 5.163) 11.119 6.974 ( 4.908 -3.362 -9.540) 11.243 6.974 ( -4.908 -3.362 9.540) 11.243 7.536 ( -1.306 7.714 -5.015) 9.293 7.536 ( 1.306 7.714 5.015) 9.293 7.734 ( 3.992 3.626 -2.193) 5.822 7.734 ( -3.992 3.626 2.193) 5.822 8.180 ( -4.197 -6.019 -1.924) 7.586 8.180 ( 4.197 -6.019 1.924) 7.586 8.420 ( -1.734 -7.864 -2.144) 8.333 8.420 ( 1.734 -7.864 2.144) 8.333 8.767 ( 1.737 2.191 -4.930) 5.667 8.767 ( -1.737 2.191 4.930) 5.667 8.863 ( 2.461 -5.512 -6.033) 8.534 8.863 ( -2.461 -5.512 6.033) 8.534 9.901 ( 0.641 10.977 -5.425) 12.261 9.901 ( -0.641 10.977 5.425) 12.261 10.115 ( -0.916 3.235 -6.599) 7.407 10.115 ( 0.916 3.235 6.599) 7.407 10.463 ( -5.371 -1.302 -4.402) 7.066 10.463 ( 5.371 -1.302 4.402) 7.066 10.668 ( 1.955 -3.074 -2.580) 4.464 10.668 ( -1.955 -3.074 2.580) 4.464 10.839 ( 0.232 -0.467 -2.964) 3.009 10.839 ( -0.232 -0.467 2.964) 3.009 11.108 ( 0.653 -7.098 -2.450) 7.537 11.108 ( -0.653 -7.098 2.450) 7.537 12.551 ( -0.808 7.431 -0.484) 7.491 12.551 ( 0.808 7.431 0.484) 7.491 12.833 ( -0.606 -3.192 -1.479) 3.570 12.833 ( 0.606 -3.192 1.479) 3.570 14.121 ( -0.189 -1.621 -3.101) 3.504 14.121 ( 0.189 -1.621 3.101) 3.504 14.307 ( 0.225 1.106 -1.114) 1.586 14.307 ( -0.225 1.106 1.114) 1.586 14.693 ( -0.811 -6.252 -5.698) 8.498 14.693 ( 0.811 -6.252 5.698) 8.498 15.419 ( -0.078 0.094 -1.549) 1.554 15.419 ( 0.078 0.094 1.549) 1.554 15.752 ( -1.866 5.857 -0.600) 6.176 15.752 ( 1.866 5.857 0.600) 6.176 15.848 ( -1.091 2.362 -0.458) 2.642 15.848 ( 1.091 2.362 0.458) 2.642 15.925 ( 0.028 0.437 -2.115) 2.160 15.925 ( -0.028 0.437 2.115) 2.160 16.191 ( -4.883 -2.491 -1.661) 5.728 16.191 ( 4.883 -2.491 1.661) 5.728 16.747 ( -3.488 0.456 -2.398) 4.257 16.747 ( 3.488 0.456 2.398) 4.257 16.846 ( 0.029 -1.937 -3.083) 3.641 16.846 ( -0.029 -1.937 3.083) 3.641 17.900 ( 1.334 2.368 -4.242) 5.038 17.900 ( -1.334 2.368 4.242) 5.038 18.122 ( -0.043 -3.316 -1.408) 3.603 18.122 ( 0.043 -3.316 1.408) 3.603 21.666 ( 1.040 5.469 -1.649) 5.807 21.666 ( -1.040 5.469 1.649) 5.807 21.991 ( -0.568 -1.046 -1.773) 2.136 21.991 ( 0.568 -1.046 1.773) 2.136 27.320 ( -0.212 -0.829 -0.788) 1.164 27.320 ( 0.212 -0.829 0.788) 1.164 27.896 ( -0.301 2.583 -5.389) 5.983 27.896 ( 0.301 2.583 5.389) 5.983 28.805 ( -0.000 -1.016 -0.323) 1.066 28.805 ( 0.000 -1.016 0.323) 1.066 29.135 ( 0.309 1.442 -2.173) 2.626 29.135 ( -0.309 1.442 2.173) 2.626 30.017 ( -0.524 0.571 -2.412) 2.533 30.017 ( 0.524 0.571 2.412) 2.533 30.509 ( -0.016 1.813 -1.322) 2.244 30.509 ( 0.016 1.813 1.322) 2.244 30.647 ( -0.407 2.614 -3.270) 4.206 30.647 ( 0.407 2.614 3.270) 4.206 31.179 ( -0.559 -4.264 -2.010) 4.748 31.179 ( 0.559 -4.264 2.010) 4.748 31.638 ( 1.328 -0.672 -2.221) 2.674 31.638 ( -1.328 -0.672 2.221) 2.674 31.707 ( -3.132 -0.381 -1.215) 3.381 31.707 ( 3.132 -0.381 1.215) 3.381 32.409 ( -8.133 1.428 -2.509) 8.630 32.409 ( 8.133 1.428 2.509) 8.630 32.810 ( 1.408 -7.090 -4.706) 8.626 32.810 ( -1.408 -7.090 4.706) 8.626 33.912 ( 2.473 4.078 -3.239) 5.766 33.912 ( -2.473 4.078 3.239) 5.766 34.025 ( 0.332 1.858 -8.119) 8.336 34.025 ( -0.332 1.858 8.119) 8.336 ======================= Grid point 173 (78/88) ======================= q-point: ( 0.10 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 8.001 14.376 -7.355) 18.021 1.582 ( 9.690 6.642 6.769) 13.558 1.645 ( 5.879 18.776 -12.786) 23.465 2.027 ( 6.284 12.487 15.358) 20.767 2.383 ( 1.373 -2.461 -6.699) 7.268 2.455 ( -2.018 -3.022 -0.059) 3.634 2.614 ( 1.750 -3.716 -1.775) 4.475 2.647 ( 3.730 -14.643 -7.556) 16.894 2.814 ( 8.901 15.212 -1.956) 17.733 2.875 ( 7.905 -2.689 2.287) 8.657 3.036 ( 6.158 -7.840 5.187) 11.238 3.076 ( 10.053 5.472 3.128) 11.865 3.217 ( 2.083 1.369 -6.597) 7.052 3.287 ( 1.044 -0.188 -2.848) 3.040 3.289 ( -0.134 3.478 -2.649) 4.374 3.407 ( 2.371 2.194 0.034) 3.230 3.491 ( 1.466 -3.236 0.661) 3.614 3.526 ( 1.646 1.884 2.479) 3.522 3.634 ( 0.508 0.778 0.906) 1.297 3.709 ( -0.422 -0.621 1.583) 1.752 3.790 ( 0.157 2.164 7.438) 7.748 3.881 ( 4.981 -2.396 -2.810) 6.201 3.901 ( 0.807 -4.829 -1.999) 5.288 4.086 ( 2.003 -7.349 3.772) 8.499 4.207 ( -3.519 2.719 4.298) 6.184 4.344 ( 4.124 3.496 -0.234) 5.411 4.417 ( -2.367 2.110 -3.047) 4.397 4.515 ( 2.424 4.837 -1.762) 5.690 4.576 ( -0.246 -1.701 2.257) 2.836 4.659 ( 1.112 1.430 0.878) 2.013 4.836 ( -2.564 -1.809 -2.241) 3.856 5.013 ( -0.611 -4.331 1.895) 4.767 5.081 ( 4.192 1.503 -2.875) 5.300 5.177 ( 4.573 -1.566 -3.426) 5.925 5.187 ( 2.562 2.506 -0.790) 3.670 5.362 ( 11.452 -0.208 -3.430) 11.957 5.438 ( -2.596 6.790 3.236) 7.957 5.519 ( 2.226 4.134 -2.142) 5.160 5.696 ( -4.916 -8.577 -2.468) 10.189 5.791 ( -4.208 -9.329 7.357) 12.604 5.938 ( -1.718 -9.418 -6.707) 11.689 6.008 ( -3.106 -3.557 5.963) 7.606 6.243 ( -0.818 -2.935 -0.042) 3.047 6.282 ( -0.077 -4.814 -1.697) 5.105 6.579 ( -4.157 7.218 3.533) 9.048 6.708 ( 4.755 7.660 -4.997) 10.308 6.912 ( -8.884 -6.270 8.237) 13.641 6.960 ( 0.811 2.279 -6.783) 7.201 7.404 ( -6.458 7.004 -2.285) 9.797 7.523 ( -3.963 6.248 0.152) 7.400 7.747 ( 0.682 3.164 4.482) 5.529 7.830 ( 5.496 4.352 -1.383) 7.145 8.100 ( -2.628 -3.543 0.327) 4.424 8.226 ( 0.060 -6.957 -2.300) 7.328 8.392 ( -0.645 -8.128 1.434) 8.278 8.464 ( -0.167 -5.395 3.885) 6.651 8.715 ( -3.039 2.802 1.849) 4.528 8.764 ( -1.325 1.430 -3.828) 4.295 8.873 ( -0.178 -9.796 5.192) 11.088 8.905 ( 4.418 -3.181 -3.873) 6.681 9.826 ( -3.006 9.434 -0.621) 9.921 9.946 ( 0.461 12.382 1.802) 12.521 10.047 ( -0.240 3.990 -6.764) 7.857 10.195 ( 2.296 1.791 2.262) 3.687 10.348 ( -3.132 0.121 -3.149) 4.443 10.575 ( 1.749 -2.135 2.804) 3.934 10.647 ( -1.066 -4.094 1.731) 4.571 10.687 ( 2.979 -0.426 -4.280) 5.232 10.811 ( -1.122 -1.605 -1.678) 2.578 10.848 ( -0.994 -1.449 3.234) 3.680 11.115 ( 1.359 -6.736 -0.924) 6.933 11.127 ( -0.278 -6.974 3.926) 8.008 12.540 ( 0.416 7.224 -0.128) 7.237 12.594 ( 3.187 6.819 -0.405) 7.538 12.807 ( -0.860 -2.799 -0.716) 3.014 12.858 ( 0.891 -3.022 0.477) 3.187 14.086 ( -1.148 -0.828 -2.252) 2.660 14.138 ( -1.169 -2.381 3.159) 4.124 14.265 ( -3.052 1.315 0.182) 3.328 14.304 ( -0.428 -0.287 -0.999) 1.124 14.644 ( -0.158 -3.140 -3.954) 5.051 14.748 ( -0.059 -7.614 5.997) 9.693 15.355 ( -4.111 2.216 -0.091) 4.671 15.436 ( -0.406 -1.715 -0.264) 1.782 15.673 ( -4.976 8.684 0.514) 10.022 15.767 ( -1.886 3.792 0.210) 4.241 15.838 ( 0.958 3.189 0.358) 3.349 15.867 ( 0.245 0.864 -0.263) 0.936 15.900 ( -0.540 0.518 -0.497) 0.899 15.951 ( 1.051 -0.193 0.808) 1.339 16.124 ( -1.333 1.706 -0.342) 2.192 16.292 ( 2.380 -5.627 2.019) 6.434 16.683 ( -0.380 2.557 -1.539) 3.008 16.794 ( -0.452 0.535 1.791) 1.923 16.839 ( 1.847 -3.591 -3.802) 5.546 16.891 ( 2.186 -2.836 2.881) 4.596 17.859 ( -2.159 2.035 -0.326) 2.984 17.908 ( -1.177 1.265 0.463) 1.789 18.096 ( -2.202 -3.080 0.903) 3.892 18.125 ( -1.353 -3.113 1.142) 3.581 21.641 ( -1.790 5.962 -0.406) 6.238 21.669 ( 0.680 5.045 -1.870) 5.423 21.932 ( -4.048 -0.482 -1.342) 4.292 21.980 ( -2.751 -1.512 1.715) 3.577 27.267 ( -2.612 -0.277 -4.397) 5.122 27.282 ( -2.654 -0.785 -4.595) 5.364 27.806 ( -7.155 4.225 2.294) 8.620 27.865 ( -9.729 2.563 8.695) 13.297 28.803 ( 0.327 -0.792 -0.602) 1.047 28.811 ( 0.601 -1.218 -0.467) 1.436 29.103 ( -2.089 1.785 -0.794) 2.860 29.114 ( -3.478 1.302 1.857) 4.152 29.963 ( -1.716 1.627 -2.998) 3.818 29.993 ( -3.016 0.406 -1.720) 3.495 30.433 ( -6.121 2.040 -1.627) 6.654 30.480 ( -3.956 -0.043 1.389) 4.193 30.617 ( 1.079 3.944 -2.107) 4.600 30.669 ( 0.514 2.835 1.289) 3.156 31.194 ( 2.778 -4.244 -0.618) 5.110 31.230 ( 2.041 -5.530 1.977) 6.218 31.592 ( -1.670 -0.193 -1.740) 2.419 31.620 ( -0.335 -0.801 3.852) 3.948 31.774 ( 3.617 2.299 2.794) 5.116 31.894 ( 10.475 -3.288 2.830) 11.338 32.262 ( -0.402 9.303 -5.778) 10.959 32.566 ( 8.294 -1.829 -4.511) 9.617 32.867 ( 6.345 -7.970 1.250) 10.263 32.950 ( 11.091 -8.075 1.059) 13.760 33.861 ( -4.236 5.510 1.100) 7.037 33.904 ( 0.125 4.741 -3.184) 5.712 33.982 ( 0.604 1.938 -1.312) 2.417 34.162 ( 6.295 -4.650 5.868) 9.782 ======================= Grid point 174 (79/88) ======================= q-point: ( 0.20 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 17.768 13.689 -2.940) 22.621 1.663 ( 9.638 11.912 -6.048) 16.473 1.928 ( 15.755 5.782 3.426) 17.129 2.193 ( 1.453 2.017 7.631) 8.025 2.348 ( 1.239 -0.224 -3.519) 3.737 2.507 ( 4.875 -2.913 1.101) 5.784 2.625 ( 2.940 -5.073 -3.061) 6.614 2.687 ( 5.430 -10.747 -3.535) 12.549 2.937 ( 8.030 0.063 -6.996) 10.650 3.023 ( 3.102 2.201 4.363) 5.788 3.136 ( 2.927 -7.560 -0.967) 8.164 3.208 ( -2.100 0.696 -4.346) 4.877 3.295 ( 2.866 -0.424 -0.758) 2.995 3.317 ( 9.891 -0.108 0.685) 9.915 3.396 ( 9.788 11.793 -2.408) 15.514 3.468 ( 0.960 1.798 3.042) 3.662 3.502 ( 3.152 2.235 0.471) 3.893 3.590 ( 5.212 4.184 0.989) 6.756 3.665 ( 1.460 -0.122 3.015) 3.352 3.687 ( -2.035 0.264 0.539) 2.121 3.887 ( 6.707 1.827 -0.901) 7.009 3.972 ( 2.294 -1.087 3.953) 4.698 3.980 ( 5.580 -2.924 0.849) 6.357 4.100 ( -0.066 0.691 1.218) 1.401 4.203 ( -0.611 0.078 6.173) 6.204 4.390 ( 3.326 -0.516 -3.706) 5.006 4.416 ( 4.531 3.708 -1.722) 6.103 4.529 ( -0.477 1.302 1.481) 2.028 4.631 ( 2.776 1.919 1.065) 3.539 4.698 ( 2.698 5.458 1.569) 6.288 4.850 ( 5.278 3.252 -1.801) 6.455 4.999 ( -1.533 1.263 3.144) 3.718 5.162 ( 3.962 -1.221 -1.129) 4.296 5.211 ( 1.722 -1.140 -4.043) 4.540 5.234 ( 2.938 -2.259 -2.270) 4.346 5.435 ( -0.663 6.012 2.423) 6.515 5.495 ( 3.252 3.161 -4.865) 6.651 5.560 ( 6.420 -7.064 -3.661) 10.224 5.601 ( -1.287 -8.217 0.630) 8.341 5.758 ( -4.690 -5.157 5.415) 8.827 5.814 ( -5.446 -11.039 -4.448) 13.088 6.003 ( -0.771 -2.795 2.397) 3.761 6.210 ( -3.458 -2.966 -0.346) 4.569 6.258 ( -0.982 -5.844 -0.431) 5.941 6.559 ( -0.151 3.582 1.954) 4.083 6.724 ( -0.247 4.101 -3.491) 5.392 6.794 ( -7.671 -1.495 5.355) 9.474 6.923 ( -0.185 5.692 -2.735) 6.318 7.303 ( -2.872 6.401 -0.303) 7.022 7.451 ( -2.826 4.114 -1.126) 5.116 7.763 ( -2.941 2.775 4.258) 5.872 7.885 ( 1.008 1.782 -0.582) 2.129 8.083 ( -0.309 -1.250 0.748) 1.489 8.180 ( -0.559 -3.329 -6.405) 7.241 8.380 ( -2.482 -7.069 1.590) 7.659 8.465 ( -3.564 -4.528 4.929) 7.583 8.677 ( -2.830 5.515 1.460) 6.369 8.717 ( 0.420 -1.898 -2.677) 3.309 8.913 ( -1.123 -7.497 7.514) 10.673 8.944 ( 3.536 -7.080 -6.712) 10.377 9.801 ( -0.686 9.665 2.774) 10.079 9.956 ( -1.136 11.201 3.141) 11.689 9.993 ( 0.500 3.494 -7.992) 8.737 10.216 ( -0.717 1.074 -0.852) 1.547 10.314 ( 0.720 1.790 1.016) 2.180 10.562 ( -3.383 -3.802 2.317) 5.592 10.648 ( -0.193 -2.319 -0.055) 2.327 10.706 ( 1.841 3.271 -5.106) 6.338 10.774 ( -1.216 -2.266 -1.939) 3.221 10.869 ( 0.435 -5.166 3.388) 6.193 11.131 ( 0.561 -6.153 -0.764) 6.226 11.151 ( 0.101 -7.377 2.763) 7.878 12.562 ( 1.745 6.272 0.169) 6.512 12.661 ( 4.079 5.647 -0.326) 6.974 12.789 ( -0.955 -2.302 -0.025) 2.493 12.874 ( 0.620 -2.212 -0.018) 2.297 14.047 ( -1.346 -0.170 -1.346) 1.911 14.120 ( -2.666 -1.791 1.884) 3.723 14.217 ( -2.119 -0.043 1.219) 2.445 14.294 ( 0.479 -2.608 -1.300) 2.953 14.634 ( 1.740 -0.149 -2.245) 2.844 14.785 ( -0.200 -6.437 4.846) 8.060 15.270 ( -4.631 3.230 -0.754) 5.696 15.390 ( -4.597 -0.934 -0.594) 4.728 15.591 ( -3.317 8.029 0.261) 8.691 15.729 ( -2.581 2.745 1.516) 4.062 15.850 ( 0.211 2.086 -0.715) 2.216 15.871 ( 0.735 2.127 -0.018) 2.250 15.901 ( 0.657 0.464 -0.007) 0.804 15.978 ( 0.945 -1.927 1.090) 2.407 16.121 ( 1.064 3.431 -0.946) 3.714 16.293 ( -1.858 -2.023 -0.423) 2.779 16.708 ( 2.366 -0.669 0.214) 2.468 16.799 ( 0.427 2.443 0.866) 2.626 16.840 ( 0.815 -3.982 -2.503) 4.773 16.945 ( 1.186 -3.989 2.047) 4.638 17.818 ( -1.459 1.423 -1.639) 2.615 17.880 ( -1.841 -0.125 1.000) 2.099 18.047 ( -3.820 -2.480 1.159) 4.700 18.087 ( -3.281 -3.450 0.496) 4.787 21.603 ( -1.294 5.880 -1.182) 6.135 21.670 ( 0.996 4.428 -1.774) 4.872 21.836 ( -4.920 -0.085 -0.480) 4.944 21.930 ( -3.608 -1.913 1.410) 4.320 27.169 ( -3.461 0.518 -4.967) 6.077 27.184 ( -3.412 0.064 -3.529) 4.909 27.674 ( -9.686 3.538 3.809) 10.993 27.693 ( -12.939 4.184 5.587) 14.702 28.808 ( 0.751 -0.596 -0.722) 1.200 28.820 ( 0.850 -1.212 -0.488) 1.558 29.052 ( -3.040 1.715 -0.189) 3.495 29.055 ( -2.954 1.384 0.591) 3.315 29.914 ( -1.514 1.526 -1.975) 2.919 29.938 ( -0.319 0.387 -1.829) 1.897 30.293 ( -6.944 2.323 -0.904) 7.378 30.392 ( -5.858 -2.243 0.877) 6.334 30.665 ( 3.852 4.173 0.519) 5.703 30.710 ( 4.084 3.111 -0.695) 5.181 31.218 ( -0.454 -3.239 -0.216) 3.278 31.286 ( 2.294 -7.332 0.659) 7.711 31.578 ( 0.192 2.621 2.135) 3.386 31.677 ( 1.925 -2.084 5.152) 5.881 31.822 ( 0.249 5.176 -0.097) 5.182 31.981 ( 1.304 -0.459 -5.960) 6.118 32.376 ( 10.629 7.452 2.555) 13.230 32.667 ( 6.284 2.903 -4.460) 8.235 33.027 ( 8.005 -9.548 3.132) 12.847 33.169 ( 11.061 -8.962 -1.099) 14.278 33.789 ( -3.554 5.791 0.093) 6.795 33.893 ( 1.142 5.056 -2.995) 5.987 34.016 ( 4.462 -0.266 -1.176) 4.622 34.323 ( 5.130 -10.540 5.987) 13.163 ======================= Grid point 175 (80/88) ======================= q-point: ( 0.30 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 14.942 4.511 -4.655) 16.287 1.910 ( 18.878 11.568 3.419) 22.403 2.194 ( 10.155 1.216 -2.112) 10.443 2.253 ( 4.256 -2.356 1.306) 5.037 2.405 ( 5.196 6.864 3.480) 9.285 2.576 ( 2.877 -4.961 -2.630) 6.310 2.706 ( 6.766 -2.827 0.839) 7.381 2.830 ( 8.529 -8.298 2.561) 12.172 3.037 ( 6.431 2.350 -2.002) 7.133 3.069 ( 0.092 1.413 -1.491) 2.056 3.131 ( -1.390 -1.124 -0.379) 1.827 3.174 ( -0.273 -5.139 -0.046) 5.146 3.262 ( -4.753 2.116 -0.310) 5.212 3.386 ( 0.761 -1.520 -0.738) 1.853 3.429 ( -2.069 -1.021 -1.784) 2.917 3.486 ( 1.884 5.769 2.537) 6.578 3.576 ( -5.999 2.115 0.892) 6.423 3.669 ( 3.042 1.994 3.332) 4.933 3.711 ( 1.577 -3.346 0.106) 3.701 3.787 ( 8.467 -0.468 -3.514) 9.179 3.873 ( -7.366 -1.570 2.688) 7.997 4.039 ( 1.452 0.615 1.727) 2.339 4.123 ( 12.900 6.671 -3.179) 14.867 4.195 ( 7.420 2.337 1.834) 7.993 4.290 ( 3.845 0.361 2.499) 4.601 4.461 ( 4.408 2.644 -3.519) 6.230 4.488 ( 5.313 3.275 4.112) 7.474 4.565 ( 1.792 -4.802 2.313) 5.624 4.631 ( -1.371 6.111 -2.537) 6.757 4.764 ( 1.101 9.460 2.768) 9.918 4.939 ( 3.454 2.569 0.054) 4.306 5.052 ( 4.143 6.651 0.670) 7.865 5.152 ( -6.096 -2.916 -1.738) 6.978 5.205 ( 1.043 -0.284 -2.781) 2.984 5.261 ( 5.209 1.186 -1.070) 5.448 5.406 ( -2.772 -0.451 1.222) 3.062 5.526 ( 5.618 -7.538 -7.012) 11.728 5.585 ( -2.950 -3.680 0.294) 4.726 5.676 ( 5.625 -12.074 1.141) 13.369 5.725 ( 5.090 2.687 -4.525) 7.322 5.782 ( 0.019 -7.542 4.733) 8.904 5.995 ( -0.199 -2.697 -1.878) 3.293 6.128 ( -3.985 -2.391 0.175) 4.651 6.258 ( 0.343 -7.757 2.122) 8.050 6.577 ( 0.487 1.128 0.198) 1.244 6.651 ( -3.839 -0.432 0.325) 3.877 6.763 ( -0.091 6.350 3.121) 7.076 6.913 ( 0.386 5.048 -1.506) 5.282 7.282 ( -0.219 4.753 1.213) 4.910 7.400 ( -1.744 3.992 -1.286) 4.542 7.716 ( -4.338 3.264 3.156) 6.280 7.865 ( -2.334 -0.394 -0.707) 2.470 8.079 ( -0.691 -0.392 -0.202) 0.820 8.118 ( -0.007 0.785 -7.484) 7.525 8.325 ( -3.886 -6.685 0.529) 7.750 8.404 ( -5.895 -5.426 3.192) 8.624 8.662 ( 0.332 6.725 1.784) 6.966 8.727 ( 1.159 -3.593 0.205) 3.781 8.920 ( -0.396 -2.238 -3.674) 4.320 8.944 ( -1.389 -10.534 3.008) 11.043 9.816 ( -1.226 9.407 3.959) 10.279 9.938 ( -0.460 4.924 -6.359) 8.055 9.969 ( 0.199 7.153 3.162) 7.823 10.175 ( -1.604 1.535 -2.977) 3.713 10.378 ( 2.755 2.132 5.827) 6.789 10.524 ( -2.595 -4.064 3.846) 6.168 10.635 ( -1.133 -1.237 -0.011) 1.677 10.682 ( 0.048 4.271 -4.146) 5.953 10.737 ( -0.414 -2.263 -3.740) 4.391 10.890 ( -0.360 -5.782 0.067) 5.794 11.123 ( -0.224 -6.993 -1.169) 7.094 11.167 ( -0.013 -8.085 0.652) 8.111 12.602 ( 2.204 4.780 0.276) 5.271 12.738 ( 4.031 4.282 0.244) 5.885 12.765 ( -1.550 -1.490 -0.055) 2.151 12.884 ( 0.374 -1.146 0.113) 1.211 14.020 ( -0.679 0.200 -0.511) 0.873 14.081 ( -2.303 -0.886 0.681) 2.559 14.208 ( -0.306 -1.614 2.074) 2.645 14.295 ( 0.589 -4.171 -1.780) 4.573 14.677 ( 4.198 1.670 -1.018) 4.631 14.824 ( 1.028 -4.224 3.324) 5.472 15.168 ( -5.454 3.004 -0.921) 6.294 15.263 ( -7.598 1.239 -0.603) 7.722 15.563 ( -0.221 4.655 0.039) 4.660 15.689 ( -2.670 1.334 0.395) 3.011 15.848 ( 0.291 3.004 -0.247) 3.028 15.889 ( 1.255 2.953 -0.663) 3.277 15.922 ( 1.427 0.076 0.266) 1.453 15.998 ( 0.381 -2.716 0.574) 2.802 16.139 ( 1.579 3.289 -1.233) 3.851 16.252 ( -1.902 0.342 -0.127) 1.936 16.751 ( 1.970 -1.572 0.641) 2.601 16.823 ( 1.177 2.640 0.533) 2.940 16.837 ( 0.571 -3.589 -1.038) 3.779 16.962 ( -0.572 -3.426 0.832) 3.572 17.786 ( -0.484 1.159 -1.369) 1.858 17.861 ( -1.079 -1.332 0.806) 1.894 17.979 ( -3.918 -2.118 0.740) 4.515 18.017 ( -3.802 -3.907 -0.642) 5.489 21.584 ( 0.121 4.607 -0.675) 4.657 21.682 ( 1.607 3.582 -1.232) 4.114 21.749 ( -4.126 -0.043 0.117) 4.128 21.871 ( -3.577 -1.787 0.877) 4.094 27.094 ( -1.586 1.150 -0.674) 2.072 27.113 ( -2.165 0.252 -0.480) 2.232 27.484 ( -10.509 4.061 0.516) 11.278 27.519 ( -9.290 1.581 0.701) 9.450 28.821 ( 1.147 -0.310 -0.489) 1.285 28.837 ( 1.065 -0.958 0.080) 1.435 29.000 ( -2.266 1.562 -0.280) 2.766 29.008 ( -2.393 0.940 0.317) 2.591 29.897 ( 0.508 0.966 0.130) 1.099 29.935 ( 0.757 -0.602 -0.765) 1.233 30.173 ( -5.403 2.146 0.127) 5.815 30.283 ( -6.052 -2.768 0.028) 6.655 30.753 ( 4.541 4.045 1.986) 6.397 30.811 ( 7.439 2.561 -2.403) 8.227 31.179 ( -3.138 -1.477 -0.690) 3.536 31.295 ( -1.987 -5.690 -0.057) 6.027 31.634 ( 2.908 2.794 4.041) 5.709 31.740 ( 0.967 -1.945 2.155) 3.060 31.800 ( -1.509 4.632 -1.038) 4.981 31.944 ( -0.450 -0.807 -3.366) 3.490 32.575 ( 7.293 8.153 3.138) 11.380 32.731 ( 4.443 8.660 -4.836) 10.869 33.191 ( 5.882 -10.645 4.629) 13.013 33.325 ( 6.746 -10.117 -2.498) 12.414 33.747 ( -0.558 6.439 0.355) 6.473 33.894 ( 1.380 3.891 -3.379) 5.335 34.132 ( 8.137 -1.909 -0.885) 8.404 34.429 ( 1.945 -11.616 3.924) 12.414 ======================= Grid point 176 (81/88) ======================= q-point: ( 0.40 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 13.144 2.059 -2.591) 13.554 2.259 ( 10.960 4.261 4.907) 12.742 2.308 ( 3.895 -0.837 2.219) 4.560 2.368 ( 5.293 2.508 -0.249) 5.862 2.592 ( 10.865 5.718 2.664) 12.563 2.620 ( 5.752 -3.327 -3.740) 7.625 2.834 ( 4.394 1.609 0.160) 4.682 2.945 ( 0.373 -2.443 2.272) 3.357 3.020 ( -2.005 0.155 -3.898) 4.386 3.091 ( -2.141 -0.278 3.542) 4.148 3.135 ( -1.115 2.341 0.391) 2.622 3.161 ( 2.458 2.545 -1.179) 3.730 3.222 ( 3.009 -3.474 -1.736) 4.913 3.349 ( -3.712 -1.358 0.042) 3.952 3.393 ( -3.243 -2.159 1.171) 4.068 3.477 ( -2.394 0.042 1.536) 2.845 3.516 ( 0.277 3.938 0.312) 3.960 3.625 ( -10.860 -4.996 0.287) 11.958 3.688 ( -3.705 1.708 3.333) 5.268 3.744 ( -1.549 -2.078 -0.828) 2.721 3.943 ( 9.660 1.086 -4.674) 10.786 4.106 ( 4.454 -0.782 0.873) 4.606 4.222 ( 2.485 -0.589 -2.787) 3.780 4.314 ( 1.957 2.743 -0.981) 3.510 4.354 ( -5.479 1.763 6.425) 8.626 4.514 ( 2.533 6.187 -2.752) 7.230 4.558 ( 5.498 2.364 0.254) 5.990 4.636 ( 4.024 2.494 -0.364) 4.748 4.687 ( 4.821 -2.131 0.624) 5.307 4.768 ( -0.573 6.403 4.868) 8.064 4.962 ( -4.350 1.754 0.018) 4.691 4.978 ( -4.246 -1.054 -3.023) 5.318 5.086 ( -0.233 2.854 -0.044) 2.864 5.208 ( -1.360 1.206 -3.307) 3.774 5.363 ( 5.737 -0.661 -1.896) 6.078 5.408 ( 1.493 -0.447 3.143) 3.508 5.549 ( -1.709 -0.268 3.096) 3.547 5.594 ( 7.319 -7.410 -7.341) 12.742 5.763 ( 4.785 -1.035 -7.666) 9.096 5.803 ( -1.002 -8.994 4.808) 10.248 5.857 ( 7.499 -1.758 2.057) 7.972 5.986 ( -1.049 -1.794 1.532) 2.582 6.104 ( 3.067 -2.392 -1.678) 4.236 6.273 ( -2.048 -7.532 3.059) 8.383 6.578 ( 0.120 1.829 0.078) 1.834 6.616 ( -0.511 2.015 -0.668) 2.184 6.808 ( 1.639 4.678 3.456) 6.043 6.901 ( -0.552 4.272 -1.603) 4.596 7.300 ( 0.732 3.410 1.539) 3.812 7.360 ( -1.571 4.009 -1.081) 4.439 7.682 ( -1.475 4.085 3.689) 5.698 7.797 ( -3.096 0.997 -2.747) 4.257 8.055 ( -1.152 -1.887 -0.211) 2.220 8.073 ( 0.412 1.575 -5.250) 5.497 8.261 ( -2.550 -6.636 0.026) 7.109 8.313 ( -5.150 -5.092 1.381) 7.373 8.705 ( 1.277 5.652 4.382) 7.265 8.757 ( 2.291 -4.686 -1.085) 5.328 8.868 ( -0.060 -1.524 -6.767) 6.937 8.918 ( -4.720 -7.255 5.008) 10.000 9.816 ( -0.974 6.903 2.526) 7.415 9.878 ( -1.452 4.710 -3.990) 6.341 10.010 ( 1.138 5.728 3.493) 6.805 10.117 ( -1.580 3.206 -3.896) 5.287 10.491 ( 2.791 1.442 8.545) 9.105 10.535 ( -0.375 -3.212 5.959) 6.780 10.609 ( -1.204 -1.147 -0.796) 1.844 10.654 ( 0.780 4.496 -6.035) 7.566 10.705 ( 0.365 -2.799 -2.484) 3.760 10.844 ( -3.236 -3.938 -2.985) 5.907 11.119 ( 0.851 -8.637 -0.881) 8.723 11.160 ( -0.883 -8.897 -0.104) 8.941 12.646 ( 2.195 2.958 0.261) 3.693 12.730 ( -1.958 -0.559 -0.322) 2.061 12.811 ( 3.235 3.224 0.462) 4.591 12.885 ( -0.523 0.164 0.161) 0.571 14.014 ( 0.272 0.141 -0.117) 0.328 14.048 ( -1.552 -0.531 0.252) 1.660 14.230 ( 0.419 -2.577 2.735) 3.781 14.284 ( 0.122 -4.164 -2.647) 4.936 14.768 ( 5.878 2.290 -0.780) 6.356 14.872 ( 1.510 -1.438 2.020) 2.903 15.060 ( -4.680 1.941 -0.950) 5.155 15.122 ( -6.857 0.792 0.483) 6.919 15.568 ( 0.620 2.754 0.153) 2.827 15.636 ( -2.371 1.020 -1.128) 2.816 15.862 ( 0.850 3.772 1.057) 4.009 15.901 ( 0.687 3.325 -1.376) 3.664 15.953 ( 1.495 -0.445 0.245) 1.579 15.999 ( -0.483 -2.098 -0.212) 2.163 16.161 ( 1.838 2.402 -1.100) 3.218 16.221 ( -1.797 0.844 0.773) 2.131 16.796 ( 2.028 -1.057 1.177) 2.572 16.843 ( 0.758 2.091 -0.490) 2.277 16.848 ( 0.803 -3.044 0.867) 3.266 16.938 ( -1.940 -2.443 -0.609) 3.179 17.783 ( 0.704 0.515 0.062) 0.874 17.844 ( -1.273 -1.371 -0.208) 1.883 17.923 ( -2.217 -2.385 0.601) 3.311 17.948 ( -2.518 -4.030 -1.053) 4.868 21.596 ( 1.374 2.981 -0.126) 3.285 21.682 ( -3.161 1.246 0.247) 3.406 21.712 ( 2.253 1.366 -0.796) 2.753 21.811 ( -3.323 -0.902 0.469) 3.475 27.104 ( 0.750 0.677 2.649) 2.835 27.104 ( 1.123 0.732 2.921) 3.214 27.309 ( -7.087 2.833 -2.675) 8.088 27.351 ( -7.376 0.522 -3.020) 7.988 28.843 ( 1.395 0.026 -0.079) 1.398 28.859 ( 0.859 -0.578 0.433) 1.122 28.961 ( -1.532 1.203 -0.373) 1.983 28.970 ( -1.771 0.651 0.026) 1.887 29.931 ( 2.026 -0.015 1.797) 2.708 29.951 ( 1.269 -0.793 -0.126) 1.502 30.093 ( -3.188 1.294 0.155) 3.444 30.169 ( -5.420 -2.159 -1.087) 5.935 30.865 ( 5.601 3.328 2.028) 6.824 30.942 ( 8.431 1.770 -2.550) 8.985 31.096 ( -4.816 0.658 -0.955) 4.953 31.216 ( -6.141 -1.837 0.344) 6.419 31.713 ( 1.377 0.337 1.682) 2.200 31.741 ( -0.165 0.551 -2.423) 2.490 31.785 ( 1.525 1.909 1.330) 2.782 31.916 ( -2.255 -3.139 1.225) 4.055 32.694 ( 2.809 11.242 3.890) 12.224 32.762 ( 3.014 10.920 -5.546) 12.613 33.310 ( 2.959 -11.125 4.402) 12.325 33.384 ( 2.198 -11.374 -3.260) 12.035 33.778 ( 2.570 6.481 1.634) 7.161 33.884 ( 0.160 4.112 -3.353) 5.308 34.282 ( 7.900 -4.297 -0.636) 9.015 34.455 ( -1.580 -9.713 1.940) 10.030 ======================= Grid point 177 (82/88) ======================= q-point: (-0.50 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( -7.575 2.618 2.122) 8.291 2.273 ( 7.575 2.618 -2.122) 8.291 2.398 ( -0.544 -1.018 -4.149) 4.306 2.398 ( 0.544 -1.018 4.149) 4.306 2.726 ( -1.029 3.568 -3.211) 4.909 2.726 ( 1.029 3.568 3.211) 4.909 2.894 ( -5.447 3.453 -2.664) 6.977 2.894 ( 5.447 3.453 2.664) 6.978 3.019 ( 6.317 -0.065 -4.512) 7.763 3.019 ( -6.317 -0.065 4.512) 7.763 3.164 ( -2.494 -1.588 -2.845) 4.104 3.164 ( 2.494 -1.588 2.845) 4.104 3.282 ( 6.625 -0.343 -3.341) 7.428 3.282 ( -6.625 -0.343 3.341) 7.428 3.399 ( -0.384 -3.900 -3.073) 4.980 3.399 ( 0.384 -3.900 3.073) 4.980 3.522 ( -2.034 -1.554 -0.736) 2.664 3.522 ( 2.034 -1.554 0.736) 2.664 3.682 ( -1.574 3.890 -2.981) 5.147 3.682 ( 1.574 3.890 2.981) 5.147 4.113 ( -5.705 0.482 0.013) 5.726 4.113 ( 5.705 0.482 -0.013) 5.726 4.232 ( 4.449 -2.196 -5.666) 7.532 4.232 ( -4.449 -2.196 5.666) 7.532 4.432 ( -8.038 5.651 -0.437) 9.836 4.432 ( 8.038 5.651 0.437) 9.836 4.645 ( 2.053 4.073 -2.492) 5.198 4.645 ( -2.053 4.073 2.492) 5.198 4.785 ( -1.124 -3.701 -4.872) 6.220 4.785 ( 1.124 -3.701 4.872) 6.220 4.912 ( -1.186 -0.879 -4.703) 4.929 4.912 ( 1.186 -0.879 4.703) 4.929 5.120 ( -2.183 2.356 -4.552) 5.571 5.120 ( 2.183 2.356 4.552) 5.571 5.433 ( 2.478 2.037 -2.468) 4.047 5.433 ( -2.478 2.037 2.468) 4.047 5.588 ( -1.862 -1.897 -5.272) 5.904 5.588 ( 1.862 -1.897 5.272) 5.904 5.801 ( 3.730 -6.851 -6.539) 10.179 5.801 ( -3.730 -6.851 6.539) 10.179 5.960 ( 2.543 -0.003 -3.366) 4.218 5.960 ( -2.543 -0.003 3.366) 4.218 6.204 ( -2.023 -5.182 -0.985) 5.649 6.204 ( 2.023 -5.182 0.985) 5.649 6.595 ( -0.988 2.903 -0.731) 3.153 6.595 ( 0.988 2.903 0.731) 3.153 6.864 ( -0.695 3.961 -3.513) 5.339 6.864 ( 0.695 3.961 3.513) 5.339 7.327 ( -0.800 3.408 -1.329) 3.744 7.327 ( 0.800 3.408 1.329) 3.744 7.720 ( -1.773 3.130 -4.337) 5.635 7.720 ( 1.773 3.130 4.337) 5.635 8.049 ( 0.471 -0.977 -2.283) 2.528 8.049 ( -0.471 -0.977 2.283) 2.528 8.251 ( 0.334 -5.451 -0.535) 5.487 8.251 ( -0.334 -5.451 0.535) 5.487 8.761 ( 0.260 1.214 -5.627) 5.763 8.761 ( -0.260 1.214 5.627) 5.763 8.860 ( 4.319 -4.745 -6.685) 9.266 8.860 ( -4.319 -4.745 6.685) 9.266 9.831 ( 2.228 5.019 -7.204) 9.059 9.831 ( -2.228 5.019 7.204) 9.059 10.060 ( -1.200 4.624 -3.865) 6.144 10.060 ( 1.200 4.624 3.865) 6.144 10.575 ( -0.795 -2.023 -3.786) 4.366 10.575 ( 0.795 -2.023 3.786) 4.366 10.598 ( -0.460 2.175 -8.589) 8.872 10.598 ( 0.460 2.175 8.589) 8.872 10.747 ( -3.919 -2.342 -2.014) 4.990 10.747 ( 3.919 -2.342 2.014) 4.990 11.138 ( 1.262 -9.247 -3.344) 9.913 11.138 ( -1.262 -9.247 3.344) 9.913 12.689 ( -2.099 1.077 -0.372) 2.389 12.689 ( 2.099 1.077 0.372) 2.389 12.862 ( -1.636 1.716 -0.384) 2.402 12.862 ( 1.636 1.716 0.384) 2.402 14.026 ( 0.242 -0.190 -1.107) 1.149 14.026 ( -0.242 -0.190 1.107) 1.149 14.260 ( -0.107 -3.436 -3.290) 4.759 14.260 ( 0.107 -3.436 3.290) 4.759 14.866 ( 0.797 2.085 -0.441) 2.275 14.866 ( -0.797 2.085 0.441) 2.275 15.027 ( 1.514 -0.117 -1.275) 1.983 15.027 ( -1.514 -0.117 1.275) 1.983 15.591 ( -1.072 1.599 -1.280) 2.312 15.591 ( 1.072 1.599 1.280) 2.312 15.889 ( 0.141 3.712 -2.669) 4.574 15.889 ( -0.141 3.712 2.669) 4.574 15.980 ( -0.164 -1.136 -1.282) 1.721 15.980 ( 0.164 -1.136 1.282) 1.721 16.191 ( 0.929 1.371 -1.006) 1.938 16.191 ( -0.929 1.371 1.006) 1.938 16.835 ( -0.829 0.112 -1.189) 1.454 16.835 ( 0.829 0.112 1.189) 1.454 16.888 ( -2.189 -2.013 -1.486) 3.324 16.888 ( 2.189 -2.013 1.486) 3.324 17.810 ( -1.469 -0.335 -0.920) 1.766 17.810 ( 1.469 -0.335 0.920) 1.766 17.913 ( -0.221 -3.473 -1.010) 3.624 17.913 ( 0.221 -3.473 1.010) 3.624 21.631 ( -1.655 1.654 -0.417) 2.377 21.631 ( 1.655 1.654 0.417) 2.377 21.756 ( -2.317 0.395 0.163) 2.357 21.756 ( 2.317 0.395 -0.163) 2.357 27.156 ( -1.340 0.993 -1.648) 2.344 27.156 ( 1.340 0.993 1.648) 2.344 27.217 ( -2.289 0.935 -2.292) 3.371 27.217 ( 2.289 0.935 2.292) 3.371 28.865 ( -0.653 -0.026 0.103) 0.662 28.865 ( 0.653 -0.026 -0.103) 0.662 28.947 ( -0.313 0.706 -0.066) 0.775 28.947 ( 0.313 0.706 0.066) 0.775 29.969 ( 0.762 -0.550 -1.853) 2.078 29.969 ( -0.762 -0.550 1.853) 2.078 30.079 ( -2.256 -0.512 -0.970) 2.509 30.079 ( 2.256 -0.512 0.970) 2.509 30.986 ( -3.749 1.812 -2.834) 5.037 30.986 ( 3.749 1.812 2.834) 5.037 31.085 ( -2.956 1.071 -1.447) 3.460 31.085 ( 2.956 1.071 1.447) 3.460 31.722 ( 1.186 0.572 -3.192) 3.453 31.722 ( -1.186 0.572 3.192) 3.453 31.860 ( -3.746 -1.749 -0.387) 4.152 31.860 ( 3.746 -1.749 0.387) 4.152 32.752 ( 0.340 11.877 -5.235) 12.984 32.752 ( -0.340 11.877 5.235) 12.984 33.372 ( -0.283 -11.393 -3.844) 12.028 33.372 ( 0.283 -11.393 3.844) 12.028 33.843 ( 0.026 5.219 -5.155) 7.335 33.843 ( -0.026 5.219 5.155) 7.335 34.402 ( 1.729 -7.009 -5.998) 9.386 34.402 ( -1.729 -7.009 5.998) 9.386 ======================= Grid point 183 (83/88) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 0.000 0.000 0.000) 0.000 1.471 ( 0.000 0.000 0.000) 0.000 2.122 ( -0.000 0.000 0.000) 0.000 2.122 ( 0.000 0.000 0.000) 0.000 2.326 ( 0.000 0.000 0.000) 0.000 2.326 ( -0.000 0.000 0.000) 0.000 2.477 ( -0.000 0.000 -0.000) 0.000 2.477 ( 0.000 0.000 0.000) 0.000 2.726 ( 0.000 0.000 0.000) 0.000 2.726 ( -0.000 0.000 0.000) 0.000 2.987 ( 0.000 0.000 0.000) 0.000 2.987 ( -0.000 0.000 0.000) 0.000 3.298 ( -0.000 0.000 0.000) 0.000 3.298 ( -0.000 0.000 0.000) 0.000 3.449 ( -0.000 0.000 -0.000) 0.000 3.449 ( 0.000 0.000 0.000) 0.000 3.518 ( 0.000 -0.000 -0.000) 0.000 3.518 ( 0.000 0.000 0.000) 0.000 3.561 ( -0.000 -0.000 0.000) 0.000 3.561 ( -0.000 0.000 0.000) 0.000 3.813 ( -0.000 0.000 0.000) 0.000 3.813 ( -0.000 0.000 0.000) 0.000 3.869 ( 0.000 0.000 -0.000) 0.000 3.869 ( 0.000 0.000 -0.000) 0.000 4.360 ( 0.000 0.000 -0.000) 0.000 4.360 ( 0.000 0.000 0.000) 0.000 4.465 ( -0.000 0.000 0.000) 0.000 4.465 ( -0.000 0.000 0.000) 0.000 4.690 ( 0.000 -0.000 0.000) 0.000 4.690 ( 0.000 0.000 -0.000) 0.000 4.786 ( 0.000 0.000 0.000) 0.000 4.786 ( 0.000 0.000 0.000) 0.000 5.143 ( -0.000 0.000 -0.000) 0.000 5.143 ( 0.000 0.000 0.000) 0.000 5.207 ( 0.000 0.000 -0.000) 0.000 5.207 ( 0.000 0.000 0.000) 0.000 5.592 ( 0.000 -0.000 -0.000) 0.000 5.592 ( 0.000 0.000 0.000) 0.000 5.633 ( -0.000 -0.000 0.000) 0.000 5.633 ( -0.000 -0.000 0.000) 0.000 5.954 ( -0.000 -0.000 0.000) 0.000 5.954 ( -0.000 0.000 0.000) 0.000 6.224 ( -0.000 0.000 0.000) 0.000 6.224 ( -0.000 0.000 0.000) 0.000 6.743 ( 0.000 0.000 -0.000) 0.000 6.743 ( -0.000 0.000 0.000) 0.000 6.916 ( 0.000 0.000 -0.000) 0.000 6.916 ( -0.000 0.000 0.000) 0.000 7.686 ( 0.000 0.000 -0.000) 0.000 7.686 ( 0.000 0.000 0.000) 0.000 7.740 ( -0.000 -0.000 0.000) 0.000 7.740 ( 0.000 0.000 0.000) 0.000 8.120 ( -0.000 0.000 0.000) 0.000 8.120 ( 0.000 0.000 0.000) 0.000 8.304 ( -0.000 0.000 0.000) 0.000 8.304 ( 0.000 0.000 0.000) 0.000 8.725 ( -0.000 0.000 0.000) 0.000 8.725 ( 0.000 0.000 0.000) 0.000 8.858 ( -0.000 0.000 0.000) 0.000 8.858 ( -0.000 0.000 0.000) 0.000 10.021 ( 0.000 0.000 0.000) 0.000 10.021 ( 0.000 0.000 0.000) 0.000 10.162 ( 0.000 0.000 0.000) 0.000 10.162 ( 0.000 0.000 0.000) 0.000 10.509 ( -0.000 -0.000 0.000) 0.000 10.509 ( 0.000 0.000 0.000) 0.000 10.561 ( 0.000 -0.000 0.000) 0.000 10.561 ( -0.000 0.000 -0.000) 0.000 10.849 ( 0.000 0.000 0.000) 0.000 10.849 ( -0.000 0.000 0.000) 0.000 11.015 ( 0.000 0.000 0.000) 0.000 11.015 ( -0.000 0.000 0.000) 0.000 12.657 ( 0.000 -0.000 0.000) 0.000 12.657 ( -0.000 0.000 0.000) 0.000 12.773 ( -0.000 0.000 0.000) 0.000 12.773 ( 0.000 0.000 0.000) 0.000 14.105 ( -0.000 0.000 0.000) 0.000 14.105 ( -0.000 0.000 0.000) 0.000 14.320 ( 0.000 0.000 0.000) 0.000 14.320 ( -0.000 0.000 0.000) 0.000 14.630 ( -0.000 0.000 0.000) 0.000 14.630 ( 0.000 0.000 0.000) 0.000 15.415 ( -0.000 0.000 0.000) 0.000 15.415 ( -0.000 0.000 0.000) 0.000 15.852 ( 0.000 0.000 -0.000) 0.000 15.852 ( -0.000 0.000 0.000) 0.000 15.858 ( -0.000 -0.000 -0.000) 0.000 15.858 ( -0.000 0.000 0.000) 0.000 15.910 ( -0.000 0.000 0.000) 0.000 15.910 ( 0.000 0.000 -0.000) 0.000 16.165 ( -0.000 0.000 0.000) 0.000 16.165 ( -0.000 0.000 0.000) 0.000 16.760 ( -0.000 0.000 0.000) 0.000 16.760 ( 0.000 0.000 0.000) 0.000 16.815 ( -0.000 0.000 -0.000) 0.000 16.815 ( 0.000 0.000 0.000) 0.000 17.935 ( 0.000 0.000 -0.000) 0.000 17.935 ( 0.000 0.000 0.000) 0.000 18.077 ( -0.000 0.000 0.000) 0.000 18.077 ( 0.000 0.000 0.000) 0.000 21.731 ( -0.000 0.000 0.000) 0.000 21.731 ( 0.000 0.000 0.000) 0.000 21.972 ( 0.000 0.000 0.000) 0.000 21.972 ( 0.000 0.000 0.000) 0.000 27.313 ( 0.000 0.000 0.000) 0.000 27.313 ( -0.000 0.000 0.000) 0.000 27.920 ( -0.000 0.000 0.000) 0.000 27.920 ( 0.000 0.000 0.000) 0.000 28.794 ( -0.000 0.000 0.000) 0.000 28.794 ( 0.000 0.000 0.000) 0.000 29.150 ( 0.000 0.000 0.000) 0.000 29.150 ( 0.000 0.000 0.000) 0.000 30.024 ( 0.000 0.000 0.000) 0.000 30.024 ( -0.000 0.000 0.000) 0.000 30.529 ( -0.000 0.000 0.000) 0.000 30.529 ( 0.000 0.000 0.000) 0.000 30.676 ( -0.000 0.000 0.000) 0.000 30.676 ( 0.000 0.000 0.000) 0.000 31.131 ( 0.000 0.000 0.000) 0.000 31.131 ( 0.000 0.000 0.000) 0.000 31.631 ( -0.000 0.000 0.000) 0.000 31.631 ( -0.000 0.000 0.000) 0.000 31.703 ( 0.000 0.000 0.000) 0.000 31.703 ( 0.000 0.000 0.000) 0.000 32.426 ( -0.000 0.000 -0.000) 0.000 32.426 ( 0.000 0.000 0.000) 0.000 32.737 ( 0.000 0.000 0.000) 0.000 32.737 ( -0.000 0.000 0.000) 0.000 33.968 ( -0.000 0.000 -0.000) 0.000 33.968 ( -0.000 0.000 0.000) 0.000 34.027 ( 0.000 0.000 -0.000) 0.000 34.027 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 187 (84/88) ======================= q-point: ( 0.10 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 7.975 -8.239 3.285) 11.928 1.564 ( 7.975 8.239 3.285) 11.928 2.044 ( -2.125 -16.816 -5.636) 17.862 2.044 ( -2.125 16.816 -5.636) 17.862 2.377 ( 3.807 -1.170 -1.261) 4.178 2.377 ( 3.807 1.170 -1.261) 4.178 2.489 ( 3.510 -5.358 -3.244) 7.180 2.489 ( 3.510 5.358 -3.244) 7.180 2.872 ( 8.343 -3.048 4.378) 9.903 2.872 ( 8.343 3.048 4.378) 9.903 3.056 ( 6.024 -4.504 0.917) 7.578 3.056 ( 6.024 4.504 0.917) 7.578 3.268 ( -1.077 -2.214 -3.451) 4.239 3.268 ( -1.077 2.214 -3.451) 4.239 3.397 ( 2.577 -2.739 -0.832) 3.852 3.397 ( 2.577 2.739 -0.832) 3.852 3.584 ( -0.149 -3.757 3.525) 5.154 3.584 ( -0.149 3.757 3.525) 5.154 3.614 ( 5.194 -6.365 -2.020) 8.460 3.614 ( 5.194 6.365 -2.020) 8.460 3.832 ( 1.049 -2.475 4.308) 5.078 3.832 ( 1.049 2.475 4.308) 5.078 3.926 ( 5.595 -6.851 0.097) 8.846 3.926 ( 5.595 6.851 0.097) 8.846 4.325 ( -3.978 -7.586 1.434) 8.685 4.325 ( -3.978 7.586 1.434) 8.685 4.502 ( 3.781 -6.654 -1.445) 7.789 4.502 ( 3.781 6.654 -1.445) 7.789 4.641 ( -1.180 -6.492 -0.566) 6.622 4.641 ( -1.180 6.492 -0.566) 6.622 4.835 ( 3.843 -7.275 -1.234) 8.320 4.835 ( 3.843 7.275 -1.234) 8.320 5.143 ( 2.301 -2.255 -2.257) 3.934 5.143 ( 2.301 2.255 -2.257) 3.934 5.284 ( 5.490 -5.742 -0.601) 7.967 5.284 ( 5.490 5.742 -0.601) 7.967 5.533 ( -4.332 -4.837 0.503) 6.513 5.533 ( -4.332 4.837 0.503) 6.513 5.652 ( -0.319 -6.106 0.595) 6.143 5.652 ( -0.319 6.106 0.595) 6.143 5.918 ( -3.486 -5.337 1.238) 6.494 5.918 ( -3.486 5.337 1.238) 6.494 6.219 ( -0.739 -1.145 -0.281) 1.392 6.219 ( -0.739 1.145 -0.281) 1.392 6.706 ( -4.676 -5.848 3.270) 8.170 6.706 ( -4.676 5.848 3.270) 8.170 6.920 ( 1.865 -5.133 -3.994) 6.766 6.920 ( 1.865 5.133 -3.994) 6.766 7.559 ( -6.750 -5.596 -1.308) 8.865 7.559 ( -6.750 5.596 -1.308) 8.865 7.833 ( 2.815 -6.248 1.964) 7.129 7.833 ( 2.815 6.248 1.964) 7.129 8.100 ( -0.493 -4.095 -1.193) 4.294 8.100 ( -0.493 4.095 -1.193) 4.294 8.340 ( 1.040 -5.306 3.481) 6.430 8.340 ( 1.040 5.306 3.481) 6.430 8.717 ( -0.822 -2.760 0.775) 2.982 8.717 ( -0.822 2.760 0.775) 2.982 8.852 ( -0.079 -4.004 -1.648) 4.331 8.852 ( -0.079 4.004 -1.648) 4.331 9.990 ( -0.294 -6.232 -4.647) 7.779 9.990 ( -0.294 6.232 -4.647) 7.779 10.169 ( -1.333 -5.719 3.376) 6.774 10.169 ( -1.333 5.719 3.376) 6.774 10.482 ( -1.648 -9.327 -0.622) 9.492 10.482 ( -1.648 9.327 -0.622) 9.492 10.608 ( 3.421 -4.154 0.230) 5.386 10.608 ( 3.421 4.154 0.230) 5.386 10.828 ( -0.931 -2.073 -2.106) 3.098 10.828 ( -0.931 2.073 -2.106) 3.098 11.033 ( 0.319 -0.688 2.980) 3.075 11.033 ( 0.319 0.688 2.980) 3.075 12.662 ( 0.672 -3.003 -0.232) 3.086 12.662 ( 0.672 3.003 -0.232) 3.086 12.783 ( 0.941 -2.952 -0.033) 3.099 12.783 ( 0.941 2.952 -0.033) 3.099 14.095 ( -1.142 -1.539 0.254) 1.934 14.095 ( -1.142 1.539 0.254) 1.934 14.293 ( -2.228 -1.043 -0.741) 2.569 14.293 ( -2.228 1.043 -0.741) 2.569 14.641 ( 0.749 -2.719 1.080) 3.020 14.641 ( 0.749 2.719 1.080) 3.020 15.394 ( -2.157 -1.943 0.150) 2.907 15.394 ( -2.157 1.943 0.150) 2.907 15.815 ( -3.886 -2.758 0.831) 4.838 15.815 ( -3.886 2.758 0.831) 4.838 15.863 ( 0.699 -0.969 -0.491) 1.292 15.863 ( 0.699 0.969 -0.491) 1.292 15.911 ( 0.261 -1.843 -0.129) 1.866 15.911 ( 0.261 1.843 -0.129) 1.866 16.189 ( 1.667 -4.328 0.429) 4.657 16.189 ( 1.667 4.328 0.429) 4.657 16.754 ( 0.618 -4.000 -2.462) 4.737 16.754 ( 0.618 4.000 -2.462) 4.737 16.832 ( 0.560 -2.571 2.304) 3.498 16.832 ( 0.560 2.571 2.304) 3.498 17.907 ( -2.383 -1.850 -0.372) 3.040 17.907 ( -2.383 1.850 -0.372) 3.040 18.072 ( -1.541 -1.290 1.453) 2.480 18.072 ( -1.541 1.290 1.453) 2.480 21.720 ( -0.453 -1.025 -1.722) 2.054 21.720 ( -0.453 1.025 -1.722) 2.054 21.939 ( -3.512 -1.743 0.886) 4.019 21.939 ( -3.512 1.743 0.886) 4.019 27.270 ( -2.420 -0.404 -4.192) 4.857 27.270 ( -2.420 0.404 -4.192) 4.857 27.869 ( -7.790 -1.750 5.575) 9.738 27.869 ( -7.790 1.750 5.575) 9.738 28.797 ( 0.506 -0.196 -0.586) 0.798 28.797 ( 0.506 0.196 -0.586) 0.798 29.125 ( -2.646 -0.279 0.442) 2.697 29.125 ( -2.646 0.279 0.442) 2.697 29.989 ( -2.083 -0.810 -2.330) 3.229 29.989 ( -2.083 0.810 -2.330) 3.229 30.467 ( -5.721 -1.175 -0.334) 5.850 30.467 ( -5.721 1.175 -0.334) 5.850 30.682 ( 1.420 -1.737 -0.452) 2.288 30.682 ( 1.420 1.737 -0.452) 2.288 31.157 ( 1.896 -1.039 0.655) 2.259 31.157 ( 1.896 1.039 0.655) 2.259 31.601 ( -0.715 -0.880 1.256) 1.692 31.601 ( -0.715 0.880 1.256) 1.692 31.829 ( 7.145 -3.018 2.928) 8.290 31.829 ( 7.145 3.018 2.928) 8.290 32.448 ( 5.609 -8.592 -5.424) 11.606 32.448 ( 5.609 8.592 -5.424) 11.606 32.831 ( 7.868 -3.214 1.704) 8.668 32.831 ( 7.868 3.214 1.704) 8.668 33.939 ( -1.776 -1.926 -1.973) 3.280 33.939 ( -1.776 1.926 -1.973) 3.280 34.054 ( 1.520 -5.501 2.609) 6.275 34.054 ( 1.520 5.501 2.609) 6.275 ======================= Grid point 189 (85/88) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 11.506 -8.320 6.168) 15.481 1.792 ( 11.506 8.320 6.168) 15.481 2.014 ( 5.158 -11.455 -9.125) 15.527 2.014 ( 5.158 11.455 -9.125) 15.527 2.477 ( 6.390 -4.513 3.297) 8.489 2.477 ( 6.390 4.513 3.297) 8.489 2.528 ( 3.416 -2.941 -3.774) 5.879 2.528 ( 3.416 2.941 -3.774) 5.879 2.979 ( 4.694 -5.796 -3.254) 8.137 2.979 ( 4.694 5.796 -3.254) 8.137 3.153 ( 1.515 -7.099 0.994) 7.326 3.153 ( 1.515 7.099 0.994) 7.326 3.294 ( 2.950 -1.019 1.569) 3.493 3.294 ( 2.950 1.019 1.569) 3.493 3.502 ( 3.468 -1.432 1.158) 3.927 3.502 ( 3.468 1.432 1.158) 3.927 3.576 ( 1.273 -3.166 0.410) 3.437 3.576 ( 1.273 3.166 0.410) 3.437 3.691 ( 3.788 -0.612 -2.473) 4.565 3.691 ( 3.788 0.612 -2.473) 4.565 3.911 ( 1.944 -2.516 6.322) 7.077 3.911 ( 1.944 2.516 6.322) 7.077 4.064 ( 9.305 -5.238 -1.548) 10.789 4.064 ( 9.305 5.238 -1.548) 10.789 4.285 ( 1.115 -7.819 0.147) 7.899 4.285 ( 1.115 7.819 0.147) 7.899 4.553 ( 0.685 -2.634 1.698) 3.208 4.553 ( 0.685 2.634 1.698) 3.208 4.685 ( 5.752 -2.542 0.334) 6.297 4.685 ( 5.752 2.542 0.334) 6.297 4.899 ( 4.345 -4.315 -1.767) 6.373 4.899 ( 4.345 4.315 -1.767) 6.373 5.189 ( 2.694 -1.157 -0.449) 2.967 5.189 ( 2.694 1.157 -0.449) 2.967 5.352 ( 3.434 -10.434 -2.988) 11.384 5.352 ( 3.434 10.434 -2.988) 11.384 5.460 ( -2.773 -2.940 -2.986) 5.025 5.460 ( -2.773 2.940 -2.986) 5.025 5.623 ( -3.234 -7.109 3.327) 8.489 5.623 ( -3.234 7.109 3.327) 8.489 5.880 ( -0.753 -9.566 0.724) 9.622 5.880 ( -0.753 9.566 0.724) 9.622 6.180 ( -3.257 -0.975 0.148) 3.403 6.180 ( -3.257 0.975 0.148) 3.403 6.644 ( -3.726 -4.964 2.354) 6.638 6.644 ( -3.726 4.964 2.354) 6.638 6.917 ( 0.499 -5.672 -2.724) 6.312 6.917 ( 0.499 5.672 -2.724) 6.312 7.452 ( -3.746 -5.646 -0.551) 6.798 7.452 ( -3.746 5.646 -0.551) 6.798 7.851 ( -1.666 -6.022 1.217) 6.366 7.851 ( -1.666 6.022 1.217) 6.366 8.092 ( 0.306 -3.213 -1.765) 3.679 8.092 ( 0.306 3.213 -1.765) 3.679 8.360 ( -2.064 -5.941 3.351) 7.126 8.360 ( -2.064 5.941 3.351) 7.126 8.720 ( 0.536 -5.314 0.729) 5.391 8.720 ( 0.536 5.314 0.729) 5.391 8.832 ( -0.442 -7.030 -1.607) 7.225 8.832 ( -0.442 7.030 -1.607) 7.225 9.966 ( 0.725 -5.902 -2.632) 6.503 9.966 ( 0.725 5.902 -2.632) 6.503 10.153 ( -2.643 -7.324 2.501) 8.178 10.153 ( -2.643 7.324 2.501) 8.178 10.451 ( -1.333 -7.731 0.717) 7.878 10.451 ( -1.333 7.731 0.717) 7.878 10.661 ( 2.196 -5.105 -1.248) 5.696 10.661 ( 2.196 5.105 -1.248) 5.696 10.796 ( -0.525 -3.342 -2.071) 3.966 10.796 ( -0.525 3.342 -2.071) 3.966 11.056 ( -0.325 -0.393 2.057) 2.119 11.056 ( -0.325 0.393 2.057) 2.119 12.679 ( 1.055 -4.415 0.143) 4.541 12.679 ( 1.055 4.415 0.143) 4.541 12.804 ( 1.392 -4.104 -0.196) 4.338 12.804 ( 1.392 4.104 -0.196) 4.338 14.070 ( -1.758 -2.272 0.743) 2.967 14.070 ( -1.758 2.272 0.743) 2.967 14.245 ( -1.584 -2.160 -1.097) 2.894 14.245 ( -1.584 2.160 -1.097) 2.894 14.676 ( 1.896 -4.001 1.489) 4.671 14.676 ( 1.896 4.001 1.489) 4.671 15.336 ( -4.179 -3.205 -0.271) 5.273 15.336 ( -4.179 3.205 -0.271) 5.273 15.739 ( -4.549 -3.795 1.209) 6.046 15.739 ( -4.549 3.795 1.209) 6.046 15.876 ( 1.010 -1.109 -0.271) 1.524 15.876 ( 1.010 1.109 -0.271) 1.524 15.921 ( 0.914 -2.050 -0.167) 2.251 15.921 ( 0.914 2.050 -0.167) 2.251 16.214 ( 0.855 -4.937 -0.488) 5.034 16.214 ( 0.855 4.937 -0.488) 5.034 16.751 ( 0.962 -4.024 -1.807) 4.515 16.751 ( 0.962 4.024 -1.807) 4.515 16.864 ( 0.878 -3.798 2.130) 4.442 16.864 ( 0.878 3.798 2.130) 4.442 17.858 ( -2.128 -2.070 -0.429) 2.999 17.858 ( -2.128 2.070 -0.429) 2.999 18.032 ( -3.605 -1.374 0.980) 3.980 18.032 ( -3.605 1.374 0.980) 3.980 21.693 ( -0.671 -2.432 -2.186) 3.338 21.693 ( -0.671 2.432 -2.186) 3.338 21.871 ( -4.166 -3.331 1.254) 5.480 21.871 ( -4.166 3.331 1.254) 5.480 27.180 ( -3.173 -0.453 -3.964) 5.098 27.180 ( -3.173 0.453 -3.964) 5.098 27.723 ( -11.556 -0.907 4.986) 12.618 27.723 ( -11.556 0.907 4.986) 12.618 28.805 ( 0.912 -0.316 -0.628) 1.152 28.805 ( 0.912 0.316 -0.628) 1.152 29.070 ( -3.114 -0.028 0.232) 3.123 29.070 ( -3.114 0.028 0.232) 3.123 29.937 ( -1.243 -0.581 -1.992) 2.418 29.937 ( -1.243 0.581 -1.992) 2.418 30.343 ( -6.724 -2.499 -0.025) 7.173 30.343 ( -6.724 2.499 -0.025) 7.173 30.731 ( 3.914 -1.493 -0.128) 4.191 30.731 ( 3.914 1.493 -0.128) 4.191 31.192 ( 1.112 -1.437 0.204) 1.828 31.192 ( 1.112 1.437 0.204) 1.828 31.629 ( 1.172 -2.482 4.005) 4.855 31.629 ( 1.172 2.482 4.005) 4.855 31.924 ( 1.880 -4.411 -1.975) 5.186 31.924 ( 1.880 4.411 -1.975) 5.186 32.576 ( 10.437 -10.310 -1.682) 14.767 32.576 ( 10.437 10.310 -1.682) 14.767 33.003 ( 8.324 -6.143 0.439) 10.355 33.003 ( 8.324 6.143 0.439) 10.355 33.889 ( -1.392 -3.819 -2.005) 4.533 33.889 ( -1.392 3.819 -2.005) 4.533 34.122 ( 3.551 -8.842 2.477) 9.845 34.122 ( 3.551 8.842 2.477) 9.845 ======================= Grid point 191 (86/88) ======================= q-point: ( 0.30 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 8.708 -11.855 -1.631) 14.800 2.019 ( 8.708 11.855 -1.631) 14.800 2.141 ( 12.949 -9.368 1.143) 16.024 2.141 ( 12.949 9.368 1.143) 16.024 2.534 ( 2.914 -3.114 -2.575) 4.982 2.534 ( 2.914 3.114 -2.575) 4.982 2.694 ( 9.758 -3.702 4.874) 11.518 2.694 ( 9.758 3.702 4.874) 11.518 3.056 ( 4.294 -3.427 -0.931) 5.572 3.056 ( 4.294 3.427 -0.931) 5.572 3.151 ( 0.016 -1.923 -2.832) 3.423 3.151 ( 0.016 1.923 -2.832) 3.423 3.316 ( -1.045 -3.804 1.693) 4.292 3.316 ( -1.045 3.804 1.693) 4.292 3.475 ( -4.005 -4.901 -0.933) 6.398 3.475 ( -4.005 4.901 -0.933) 6.398 3.640 ( 1.108 -2.824 0.439) 3.065 3.640 ( 1.108 2.824 0.439) 3.065 3.701 ( -1.241 -2.571 0.901) 2.994 3.701 ( -1.241 2.571 0.901) 2.994 3.973 ( 1.962 -6.000 1.654) 6.526 3.973 ( 1.962 6.000 1.654) 6.526 4.225 ( 6.300 -1.857 0.140) 6.569 4.225 ( 6.300 1.857 0.140) 6.569 4.379 ( 7.411 -7.269 -0.557) 10.396 4.379 ( 7.411 7.269 -0.557) 10.396 4.548 ( -1.923 -2.098 3.810) 4.756 4.548 ( -1.923 2.098 3.810) 4.756 4.824 ( 5.629 -10.468 -0.723) 11.908 4.824 ( 5.629 10.468 -0.723) 11.908 4.947 ( 2.341 -5.052 -2.710) 6.193 4.947 ( 2.341 5.052 -2.710) 6.193 5.234 ( 2.130 -3.936 2.026) 4.913 5.234 ( 2.130 3.936 2.026) 4.913 5.358 ( -1.745 -2.048 -7.044) 7.540 5.358 ( -1.745 2.048 -7.044) 7.540 5.393 ( 1.417 -3.585 0.243) 3.862 5.393 ( 1.417 3.585 0.243) 3.862 5.651 ( 3.630 -4.553 3.652) 6.873 5.651 ( 3.630 4.553 3.652) 6.873 5.890 ( 1.764 -8.973 -2.096) 9.382 5.890 ( 1.764 8.973 -2.096) 9.382 6.126 ( -2.287 -3.289 1.767) 4.378 6.126 ( -2.287 3.289 1.767) 4.378 6.611 ( -1.110 -2.129 0.941) 2.579 6.611 ( -1.110 2.129 0.941) 2.579 6.905 ( -0.332 -5.212 -0.064) 5.223 6.905 ( -0.332 5.212 -0.064) 5.223 7.405 ( -1.115 -4.694 -0.533) 4.854 7.405 ( -1.115 4.694 -0.533) 4.854 7.812 ( -2.757 -5.400 0.494) 6.084 7.812 ( -2.757 5.400 0.494) 6.084 8.069 ( -1.180 -2.683 -2.052) 3.578 8.069 ( -1.180 2.683 -2.052) 3.578 8.319 ( -4.100 -5.027 1.872) 6.752 8.319 ( -4.100 5.027 1.872) 6.752 8.734 ( 1.449 -6.175 -2.509) 6.821 8.734 ( 1.449 6.175 -2.509) 6.821 8.821 ( -0.888 -7.048 2.085) 7.404 8.821 ( -0.888 7.048 2.085) 7.404 9.956 ( -0.913 -2.969 -1.032) 3.274 9.956 ( -0.913 2.969 -1.032) 3.274 10.124 ( -1.501 -6.159 1.171) 6.447 10.124 ( -1.501 6.159 1.171) 6.447 10.453 ( -0.110 -3.572 3.825) 5.235 10.453 ( -0.110 3.572 3.825) 5.235 10.666 ( -0.018 -4.564 -2.128) 5.036 10.666 ( -0.018 4.564 -2.128) 5.036 10.780 ( 0.437 -4.706 -2.287) 5.250 10.780 ( 0.437 4.706 -2.287) 5.250 11.048 ( -1.207 -1.421 -0.034) 1.865 11.048 ( -1.207 1.421 -0.034) 1.865 12.697 ( 0.573 -4.073 0.149) 4.116 12.697 ( 0.573 4.073 0.149) 4.116 12.833 ( 1.728 -3.658 0.074) 4.046 12.833 ( 1.728 3.658 0.074) 4.046 14.046 ( -1.422 -2.059 0.914) 2.664 14.046 ( -1.422 2.059 0.914) 2.664 14.222 ( -0.189 -2.600 -0.891) 2.755 14.222 ( -0.189 2.600 -0.891) 2.755 14.737 ( 3.566 -3.910 1.133) 5.412 14.737 ( 3.566 3.910 1.133) 5.412 15.232 ( -6.434 -2.971 -0.303) 7.093 15.232 ( -6.434 2.971 -0.303) 7.093 15.674 ( -2.952 -3.798 0.449) 4.831 15.674 ( -2.952 3.798 0.449) 4.831 15.896 ( 1.279 -1.654 -0.120) 2.094 15.896 ( 1.279 1.654 -0.120) 2.094 15.940 ( 1.212 -1.959 -0.391) 2.336 15.940 ( 1.212 1.959 -0.391) 2.336 16.217 ( 0.051 -3.479 -0.712) 3.552 16.217 ( 0.051 3.479 -0.712) 3.552 16.764 ( 1.242 -2.717 -0.092) 2.989 16.764 ( 1.242 2.717 -0.092) 2.989 16.890 ( 0.386 -3.557 1.107) 3.745 16.890 ( 0.386 3.557 1.107) 3.745 17.825 ( -1.019 -2.277 -0.520) 2.548 17.825 ( -1.019 2.277 -0.520) 2.548 17.962 ( -4.008 -0.954 0.168) 4.124 17.962 ( -4.008 0.954 0.168) 4.124 21.667 ( -0.582 -3.257 -1.249) 3.536 21.667 ( -0.582 3.257 -1.249) 3.536 21.811 ( -2.948 -3.950 0.733) 4.983 21.811 ( -2.948 3.950 0.733) 4.983 27.112 ( -1.799 -0.470 -0.616) 1.958 27.112 ( -1.799 0.470 -0.616) 1.958 27.532 ( -10.681 -0.645 0.825) 10.732 27.532 ( -10.681 0.645 0.825) 10.732 28.822 ( 1.280 -0.441 -0.167) 1.364 28.822 ( 1.280 0.441 -0.167) 1.364 29.018 ( -2.531 -0.142 0.051) 2.536 29.018 ( -2.531 0.142 0.051) 2.536 29.918 ( 0.187 -1.013 -0.318) 1.078 29.918 ( 0.187 1.013 -0.318) 1.078 30.225 ( -5.817 -2.801 -0.003) 6.456 30.225 ( -5.817 2.801 -0.003) 6.456 30.821 ( 5.437 -1.885 0.053) 5.755 30.821 ( 5.437 1.885 0.053) 5.755 31.194 ( -0.849 -3.294 -0.561) 3.448 31.194 ( -0.849 3.294 -0.561) 3.448 31.690 ( 1.361 -2.695 4.425) 5.357 31.690 ( 1.361 2.695 4.425) 5.357 31.895 ( -1.482 -3.907 -3.726) 5.598 31.895 ( -1.482 3.907 -3.726) 5.598 32.767 ( 8.999 -7.927 0.971) 12.032 32.767 ( 8.999 7.927 0.971) 12.032 33.123 ( 4.422 -7.075 -0.711) 8.373 33.123 ( 4.422 7.075 -0.711) 8.373 33.871 ( 1.072 -5.045 -1.670) 5.421 33.871 ( 1.072 5.045 -1.670) 5.421 34.214 ( 4.130 -8.802 1.597) 9.853 34.214 ( 4.130 8.802 1.597) 9.853 ======================= Grid point 193 (87/88) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 9.565 -7.603 -0.524) 12.230 2.174 ( 9.565 7.603 -0.524) 12.230 2.366 ( 4.640 -2.921 3.841) 6.695 2.366 ( 4.640 2.921 3.841) 6.695 2.629 ( 10.688 -2.234 -3.585) 11.493 2.629 ( 10.688 2.234 -3.585) 11.493 2.871 ( 5.239 -2.298 3.342) 6.626 2.871 ( 5.239 2.298 3.342) 6.626 3.078 ( -1.637 -3.570 -2.396) 4.601 3.078 ( -1.637 3.570 -2.396) 4.601 3.136 ( -0.392 -2.371 3.099) 3.921 3.136 ( -0.392 2.371 3.099) 3.921 3.290 ( -4.444 -6.233 1.608) 7.822 3.290 ( -4.444 6.233 1.608) 7.822 3.406 ( -1.490 -4.482 -2.744) 5.462 3.406 ( -1.490 4.482 -2.744) 5.462 3.558 ( -4.932 -1.204 -1.704) 5.355 3.558 ( -4.932 1.204 -1.704) 5.355 3.728 ( 1.860 -2.562 1.357) 3.444 3.728 ( 1.860 2.562 1.357) 3.444 4.047 ( 4.476 -6.053 1.075) 7.604 4.047 ( 4.476 6.053 1.075) 7.604 4.253 ( -1.311 -4.780 -1.411) 5.154 4.253 ( -1.311 4.780 -1.411) 5.154 4.474 ( 1.364 -8.391 1.275) 8.596 4.474 ( 1.364 8.391 1.276) 8.596 4.604 ( 4.493 -1.711 1.437) 5.018 4.604 ( 4.493 1.711 1.437) 5.018 4.786 ( -4.911 -7.341 -1.276) 8.923 4.786 ( -4.911 7.341 -1.276) 8.923 4.962 ( -2.134 -2.940 0.905) 3.744 4.962 ( -2.134 2.940 0.905) 3.744 5.245 ( -1.971 -4.534 -5.110) 7.110 5.245 ( -1.971 4.534 -5.110) 7.110 5.339 ( 6.763 -4.939 0.412) 8.385 5.339 ( 6.763 4.939 0.412) 8.385 5.482 ( 3.980 -2.017 1.315) 4.652 5.482 ( 3.980 2.017 1.315) 4.652 5.733 ( 1.721 -1.754 0.243) 2.469 5.733 ( 1.721 1.754 0.243) 2.469 5.936 ( 5.877 -5.088 -2.481) 8.160 5.936 ( 5.877 5.088 -2.481) 8.160 6.122 ( -1.114 -5.564 3.022) 6.429 6.122 ( -1.114 5.564 3.022) 6.429 6.615 ( 0.817 -1.436 0.246) 1.670 6.615 ( 0.817 1.436 0.246) 1.670 6.903 ( -0.334 -3.416 0.688) 3.500 6.903 ( -0.334 3.416 0.688) 3.500 7.390 ( -0.322 -2.731 -0.249) 2.761 7.390 ( -0.322 2.731 -0.249) 2.761 7.767 ( -1.918 -3.878 0.022) 4.327 7.767 ( -1.918 3.878 0.022) 4.327 8.027 ( -1.416 -1.772 -1.396) 2.663 8.027 ( -1.416 1.772 -1.396) 2.663 8.254 ( -3.269 -3.190 0.739) 4.627 8.254 ( -3.269 3.190 0.739) 4.627 8.740 ( 1.873 -4.640 -3.801) 6.284 8.740 ( 1.873 4.640 -3.801) 6.284 8.819 ( -1.895 -5.059 3.636) 6.512 8.819 ( -1.895 5.059 3.636) 6.512 9.917 ( -1.898 -1.683 -0.714) 2.635 9.917 ( -1.898 1.683 -0.714) 2.635 10.116 ( -0.204 -3.510 0.233) 3.523 10.116 ( -0.204 3.510 0.233) 3.523 10.504 ( 1.030 -1.726 6.179) 6.498 10.504 ( 1.030 1.726 6.179) 6.498 10.640 ( -0.554 -3.497 -2.913) 4.585 10.640 ( -0.554 3.497 -2.913) 4.585 10.768 ( 0.223 -4.787 -2.352) 5.339 10.768 ( 0.223 4.787 -2.352) 5.339 11.019 ( -1.213 -1.933 -0.794) 2.416 11.019 ( -1.213 1.933 -0.794) 2.416 12.703 ( 0.110 -2.224 -0.096) 2.228 12.703 ( 0.110 2.224 -0.096) 2.228 12.865 ( 1.268 -1.978 0.302) 2.369 12.865 ( 1.268 1.978 0.302) 2.369 14.032 ( -0.687 -1.191 0.589) 1.496 14.032 ( -0.687 1.191 0.589) 1.496 14.218 ( 0.216 -1.708 -0.458) 1.781 14.218 ( 0.216 1.708 -0.458) 1.781 14.824 ( 4.884 -2.906 0.296) 5.691 14.824 ( 4.884 2.906 0.296) 5.691 15.104 ( -6.677 -2.056 0.284) 6.992 15.104 ( -6.677 2.056 0.284) 6.992 15.633 ( -1.461 -2.112 -0.409) 2.601 15.633 ( -1.461 2.112 -0.409) 2.601 15.918 ( 0.991 -1.517 -0.017) 1.812 15.918 ( 0.991 1.517 -0.017) 1.812 15.957 ( 0.858 -1.285 -0.310) 1.576 15.957 ( 0.858 1.285 -0.310) 1.576 16.210 ( -0.192 -1.868 -0.406) 1.921 16.210 ( -0.192 1.868 -0.406) 1.921 16.798 ( 1.728 -1.452 1.273) 2.592 16.798 ( 1.728 1.452 1.273) 2.592 16.890 ( -0.771 -2.341 -0.272) 2.480 16.890 ( -0.771 2.341 -0.272) 2.480 17.812 ( -0.028 -1.964 -0.294) 1.986 17.812 ( -0.028 1.964 -0.294) 1.986 17.896 ( -2.780 -0.362 -0.178) 2.809 17.896 ( -2.780 0.362 -0.178) 2.809 21.653 ( -0.301 -2.438 -0.263) 2.470 21.653 ( -0.301 2.438 -0.263) 2.470 21.773 ( -1.439 -2.785 0.095) 3.136 21.773 ( -1.439 2.785 0.095) 3.136 27.112 ( 1.005 -0.045 2.647) 2.831 27.112 ( 1.005 0.045 2.647) 2.831 27.348 ( -7.789 -0.940 -2.734) 8.309 27.348 ( -7.789 0.940 -2.734) 8.309 28.848 ( 1.306 -0.427 0.225) 1.392 28.848 ( 1.306 0.427 0.225) 1.392 28.976 ( -1.828 -0.198 -0.155) 1.845 28.976 ( -1.828 0.198 -0.155) 1.845 29.937 ( 1.365 -0.548 0.942) 1.746 29.937 ( 1.365 0.548 0.942) 1.746 30.126 ( -4.284 -1.955 -0.601) 4.747 30.126 ( -4.284 1.955 -0.601) 4.747 30.929 ( 5.657 -2.522 0.257) 6.199 30.929 ( 5.657 2.522 0.257) 6.199 31.151 ( -2.979 -3.889 -0.811) 4.966 31.151 ( -2.979 3.889 -0.811) 4.966 31.729 ( 0.254 -1.023 1.013) 1.462 31.729 ( 0.254 1.023 1.013) 1.462 31.848 ( -1.166 -3.501 -0.428) 3.714 31.848 ( -1.166 3.501 -0.428) 3.714 32.906 ( 4.773 -4.646 0.906) 6.722 32.906 ( 4.773 4.646 0.906) 6.722 33.167 ( 1.354 -4.817 -0.874) 5.079 33.167 ( 1.354 4.817 -0.874) 5.079 33.893 ( 1.853 -3.703 -0.885) 4.234 33.893 ( 1.853 3.703 -0.885) 4.234 34.289 ( 2.631 -5.375 0.680) 6.023 34.289 ( 2.631 5.375 0.680) 6.023 ======================= Grid point 195 (88/88) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( 0.000 -0.000 0.000) 0.000 2.337 ( 0.000 0.000 0.000) 0.000 2.348 ( -0.000 -0.000 -0.000) 0.000 2.348 ( 0.000 0.000 -0.000) 0.000 2.773 ( 0.000 0.000 -0.000) 0.000 2.773 ( 0.000 0.000 -0.000) 0.000 2.970 ( -0.000 0.000 -0.000) 0.000 2.970 ( -0.000 -0.000 -0.000) 0.000 2.987 ( 0.000 -0.000 0.000) 0.000 2.987 ( 0.000 0.000 0.000) 0.000 3.151 ( 0.000 0.000 -0.000) 0.000 3.151 ( -0.000 0.000 0.000) 0.000 3.264 ( 0.000 0.000 0.000) 0.000 3.264 ( 0.000 0.000 -0.000) 0.000 3.323 ( 0.000 0.000 -0.000) 0.000 3.323 ( 0.000 -0.000 0.000) 0.000 3.522 ( 0.000 0.000 -0.000) 0.000 3.522 ( 0.000 0.000 -0.000) 0.000 3.763 ( 0.000 -0.000 -0.000) 0.000 3.763 ( 0.000 0.000 0.000) 0.000 4.104 ( 0.000 0.000 -0.000) 0.000 4.104 ( 0.000 0.000 -0.000) 0.000 4.233 ( 0.000 -0.000 -0.000) 0.000 4.233 ( 0.000 0.000 -0.000) 0.000 4.470 ( 0.000 0.000 -0.000) 0.000 4.470 ( 0.000 0.000 0.000) 0.000 4.660 ( 0.000 -0.000 -0.000) 0.000 4.660 ( 0.000 0.000 0.000) 0.000 4.733 ( 0.000 0.000 -0.000) 0.000 4.733 ( 0.000 0.000 0.000) 0.000 4.926 ( 0.000 0.000 -0.000) 0.000 4.926 ( 0.000 0.000 0.000) 0.000 5.199 ( 0.000 0.000 0.000) 0.000 5.199 ( 0.000 0.000 -0.000) 0.000 5.464 ( 0.000 -0.000 -0.000) 0.000 5.464 ( 0.000 0.000 -0.000) 0.000 5.486 ( -0.000 0.000 0.000) 0.000 5.486 ( -0.000 0.000 0.000) 0.000 5.742 ( 0.000 0.000 -0.000) 0.000 5.742 ( 0.000 0.000 0.000) 0.000 6.010 ( 0.000 0.000 -0.000) 0.000 6.010 ( 0.000 0.000 -0.000) 0.000 6.114 ( 0.000 0.000 -0.000) 0.000 6.114 ( -0.000 0.000 0.000) 0.000 6.628 ( 0.000 0.000 -0.000) 0.000 6.628 ( 0.000 0.000 -0.000) 0.000 6.902 ( 0.000 -0.000 -0.000) 0.000 6.902 ( 0.000 0.000 -0.000) 0.000 7.386 ( 0.000 0.000 0.000) 0.000 7.386 ( 0.000 0.000 0.000) 0.000 7.748 ( 0.000 0.000 -0.000) 0.000 7.748 ( 0.000 0.000 -0.000) 0.000 8.007 ( 0.000 0.000 -0.000) 0.000 8.007 ( 0.000 0.000 0.000) 0.000 8.224 ( 0.000 0.000 -0.000) 0.000 8.224 ( 0.000 0.000 -0.000) 0.000 8.744 ( 0.000 0.000 0.000) 0.000 8.744 ( 0.000 0.000 0.000) 0.000 8.812 ( 0.000 -0.000 -0.000) 0.000 8.812 ( 0.000 0.000 -0.000) 0.000 9.894 ( 0.000 -0.000 0.000) 0.000 9.894 ( 0.000 0.000 0.000) 0.000 10.115 ( 0.000 -0.000 -0.000) 0.000 10.115 ( 0.000 0.000 -0.000) 0.000 10.555 ( 0.000 0.000 -0.000) 0.000 10.555 ( 0.000 -0.000 0.000) 0.000 10.612 ( 0.000 0.000 -0.000) 0.000 10.612 ( 0.000 0.000 0.000) 0.000 10.759 ( 0.000 0.000 0.000) 0.000 10.759 ( 0.000 0.000 0.000) 0.000 11.003 ( 0.000 0.000 -0.000) 0.000 11.003 ( 0.000 0.000 0.000) 0.000 12.703 ( 0.000 0.000 0.000) 0.000 12.703 ( 0.000 0.000 -0.000) 0.000 12.879 ( 0.000 0.000 -0.000) 0.000 12.879 ( 0.000 0.000 0.000) 0.000 14.028 ( 0.000 0.000 -0.000) 0.000 14.028 ( 0.000 0.000 -0.000) 0.000 14.219 ( 0.000 0.000 -0.000) 0.000 14.219 ( 0.000 0.000 0.000) 0.000 14.893 ( 0.000 0.000 -0.000) 0.000 14.893 ( 0.000 0.000 0.000) 0.000 15.021 ( 0.000 0.000 -0.000) 0.000 15.021 ( 0.000 0.000 -0.000) 0.000 15.617 ( 0.000 0.000 0.000) 0.000 15.617 ( 0.000 0.000 0.000) 0.000 15.928 ( 0.000 0.000 0.000) 0.000 15.928 ( 0.000 0.000 -0.000) 0.000 15.964 ( 0.000 0.000 -0.000) 0.000 15.964 ( 0.000 0.000 0.000) 0.000 16.206 ( 0.000 0.000 -0.000) 0.000 16.206 ( 0.000 0.000 -0.000) 0.000 16.831 ( 0.000 -0.000 -0.000) 0.000 16.831 ( 0.000 -0.000 0.000) 0.000 16.870 ( 0.000 0.000 -0.000) 0.000 16.870 ( 0.000 0.000 0.000) 0.000 17.814 ( 0.000 -0.000 -0.000) 0.000 17.814 ( 0.000 0.000 0.000) 0.000 17.865 ( 0.000 0.000 -0.000) 0.000 17.865 ( 0.000 0.000 -0.000) 0.000 21.649 ( 0.000 0.000 -0.000) 0.000 21.649 ( 0.000 0.000 0.000) 0.000 21.760 ( 0.000 0.000 -0.000) 0.000 21.760 ( 0.000 0.000 0.000) 0.000 27.167 ( 0.000 0.000 -0.000) 0.000 27.167 ( 0.000 0.000 -0.000) 0.000 27.228 ( 0.000 0.000 0.000) 0.000 27.228 ( 0.000 0.000 0.000) 0.000 28.865 ( 0.000 0.000 -0.000) 0.000 28.865 ( 0.000 0.000 0.000) 0.000 28.955 ( 0.000 0.000 -0.000) 0.000 28.955 ( 0.000 0.000 0.000) 0.000 29.963 ( 0.000 0.000 -0.000) 0.000 29.963 ( 0.000 0.000 0.000) 0.000 30.074 ( 0.000 0.000 -0.000) 0.000 30.074 ( 0.000 0.000 0.000) 0.000 31.006 ( 0.000 -0.000 -0.000) 0.000 31.006 ( 0.000 0.000 0.000) 0.000 31.097 ( 0.000 0.000 -0.000) 0.000 31.097 ( 0.000 0.000 -0.000) 0.000 31.729 ( 0.000 0.000 -0.000) 0.000 31.729 ( 0.000 0.000 0.000) 0.000 31.840 ( 0.000 0.000 -0.000) 0.000 31.840 ( 0.000 0.000 0.000) 0.000 32.955 ( 0.000 0.000 -0.000) 0.000 32.955 ( 0.000 0.000 -0.000) 0.000 33.174 ( 0.000 0.000 -0.000) 0.000 33.174 ( 0.000 0.000 0.000) 0.000 33.909 ( 0.000 0.000 -0.000) 0.000 33.909 ( 0.000 0.000 -0.000) 0.000 34.317 ( 0.000 0.000 0.000) 0.000 34.317 ( 0.000 0.000 0.000) 0.000 =================== 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 3/31680 10.0 456.500 530.511 539.285 0.000 -46.568 0.000 3/31680 20.0 99.599 72.850 68.849 0.000 -3.345 0.000 3/31680 30.0 37.426 25.007 22.755 0.000 -1.058 0.000 3/31680 40.0 20.445 13.222 12.028 0.000 -0.564 0.000 3/31680 50.0 13.476 8.657 7.869 0.000 -0.375 0.000 3/31680 60.0 9.883 6.377 5.775 0.000 -0.280 0.000 3/31680 70.0 7.747 5.042 4.545 0.000 -0.224 0.000 3/31680 80.0 6.350 4.175 3.744 0.000 -0.188 0.000 3/31680 90.0 5.372 3.569 3.184 0.000 -0.163 0.000 3/31680 100.0 4.654 3.123 2.772 0.000 -0.144 0.000 3/31680 110.0 4.106 2.780 2.457 0.000 -0.129 0.000 3/31680 120.0 3.674 2.509 2.209 0.000 -0.117 0.000 3/31680 130.0 3.327 2.289 2.008 0.000 -0.107 0.000 3/31680 140.0 3.041 2.106 1.842 0.000 -0.099 0.000 3/31680 150.0 2.802 1.953 1.702 0.000 -0.092 0.000 3/31680 160.0 2.599 1.821 1.583 0.000 -0.086 0.000 3/31680 170.0 2.425 1.708 1.481 0.000 -0.081 0.000 3/31680 180.0 2.274 1.609 1.391 0.000 -0.076 0.000 3/31680 190.0 2.142 1.521 1.313 0.000 -0.072 0.000 3/31680 200.0 2.026 1.444 1.243 0.000 -0.068 0.000 3/31680 210.0 1.922 1.374 1.181 0.000 -0.064 0.000 3/31680 220.0 1.830 1.312 1.126 0.000 -0.061 0.000 3/31680 230.0 1.747 1.256 1.075 0.000 -0.059 0.000 3/31680 240.0 1.672 1.204 1.030 0.000 -0.056 0.000 3/31680 250.0 1.604 1.158 0.988 0.000 -0.054 0.000 3/31680 260.0 1.541 1.115 0.950 0.000 -0.051 0.000 3/31680 270.0 1.484 1.076 0.915 0.000 -0.049 0.000 3/31680 280.0 1.432 1.039 0.882 0.000 -0.047 0.000 3/31680 290.0 1.383 1.006 0.853 0.000 -0.046 0.000 3/31680 300.0 1.339 0.974 0.825 0.000 -0.044 0.000 3/31680 310.0 1.297 0.945 0.799 0.000 -0.042 0.000 3/31680 320.0 1.258 0.918 0.775 0.000 -0.041 0.000 3/31680 330.0 1.222 0.893 0.752 0.000 -0.040 0.000 3/31680 340.0 1.188 0.869 0.731 0.000 -0.038 0.000 3/31680 350.0 1.156 0.846 0.711 0.000 -0.037 0.000 3/31680 360.0 1.126 0.825 0.692 0.000 -0.036 0.000 3/31680 370.0 1.098 0.805 0.675 0.000 -0.035 0.000 3/31680 380.0 1.071 0.786 0.658 0.000 -0.034 0.000 3/31680 390.0 1.045 0.768 0.642 0.000 -0.033 0.000 3/31680 400.0 1.021 0.751 0.627 0.000 -0.032 0.000 3/31680 410.0 0.998 0.735 0.612 0.000 -0.031 0.000 3/31680 420.0 0.976 0.719 0.599 0.000 -0.030 0.000 3/31680 430.0 0.956 0.704 0.586 0.000 -0.030 0.000 3/31680 440.0 0.936 0.690 0.573 0.000 -0.029 0.000 3/31680 450.0 0.917 0.677 0.561 0.000 -0.028 0.000 3/31680 460.0 0.899 0.664 0.550 0.000 -0.028 0.000 3/31680 470.0 0.881 0.651 0.539 0.000 -0.027 0.000 3/31680 480.0 0.864 0.639 0.529 0.000 -0.026 0.000 3/31680 490.0 0.848 0.628 0.518 0.000 -0.026 0.000 3/31680 500.0 0.833 0.616 0.509 0.000 -0.025 0.000 3/31680 510.0 0.818 0.606 0.500 0.000 -0.025 0.000 3/31680 520.0 0.804 0.595 0.491 0.000 -0.024 0.000 3/31680 530.0 0.790 0.585 0.482 0.000 -0.024 0.000 3/31680 540.0 0.776 0.576 0.474 0.000 -0.023 0.000 3/31680 550.0 0.763 0.567 0.466 0.000 -0.023 0.000 3/31680 560.0 0.751 0.558 0.458 0.000 -0.022 0.000 3/31680 570.0 0.739 0.549 0.450 0.000 -0.022 0.000 3/31680 580.0 0.727 0.540 0.443 0.000 -0.021 0.000 3/31680 590.0 0.716 0.532 0.436 0.000 -0.021 0.000 3/31680 600.0 0.705 0.524 0.429 0.000 -0.021 0.000 3/31680 610.0 0.694 0.517 0.423 0.000 -0.020 0.000 3/31680 620.0 0.684 0.509 0.416 0.000 -0.020 0.000 3/31680 630.0 0.674 0.502 0.410 0.000 -0.020 0.000 3/31680 640.0 0.664 0.495 0.404 0.000 -0.019 0.000 3/31680 650.0 0.655 0.488 0.398 0.000 -0.019 0.000 3/31680 660.0 0.646 0.481 0.393 0.000 -0.019 0.000 3/31680 670.0 0.637 0.475 0.387 0.000 -0.018 0.000 3/31680 680.0 0.628 0.469 0.382 0.000 -0.018 0.000 3/31680 690.0 0.620 0.462 0.376 0.000 -0.018 0.000 3/31680 700.0 0.612 0.456 0.371 0.000 -0.018 0.000 3/31680 710.0 0.604 0.451 0.366 0.000 -0.017 0.000 3/31680 720.0 0.596 0.445 0.362 0.000 -0.017 0.000 3/31680 730.0 0.588 0.439 0.357 0.000 -0.017 0.000 3/31680 740.0 0.581 0.434 0.352 0.000 -0.017 0.000 3/31680 750.0 0.574 0.429 0.348 0.000 -0.016 0.000 3/31680 760.0 0.567 0.423 0.344 0.000 -0.016 0.000 3/31680 770.0 0.560 0.418 0.339 0.000 -0.016 0.000 3/31680 780.0 0.553 0.414 0.335 0.000 -0.016 0.000 3/31680 790.0 0.546 0.409 0.331 0.000 -0.015 0.000 3/31680 800.0 0.540 0.404 0.327 0.000 -0.015 0.000 3/31680 810.0 0.534 0.399 0.323 0.000 -0.015 0.000 3/31680 820.0 0.528 0.395 0.320 0.000 -0.015 0.000 3/31680 830.0 0.522 0.391 0.316 0.000 -0.015 0.000 3/31680 840.0 0.516 0.386 0.312 0.000 -0.015 0.000 3/31680 850.0 0.510 0.382 0.309 0.000 -0.014 0.000 3/31680 860.0 0.505 0.378 0.305 0.000 -0.014 0.000 3/31680 870.0 0.499 0.374 0.302 0.000 -0.014 0.000 3/31680 880.0 0.494 0.370 0.299 0.000 -0.014 0.000 3/31680 890.0 0.489 0.366 0.296 0.000 -0.014 0.000 3/31680 900.0 0.483 0.362 0.292 0.000 -0.014 0.000 3/31680 910.0 0.478 0.359 0.289 0.000 -0.013 0.000 3/31680 920.0 0.473 0.355 0.286 0.000 -0.013 0.000 3/31680 930.0 0.469 0.351 0.283 0.000 -0.013 0.000 3/31680 940.0 0.464 0.348 0.281 0.000 -0.013 0.000 3/31680 950.0 0.459 0.344 0.278 0.000 -0.013 0.000 3/31680 960.0 0.455 0.341 0.275 0.000 -0.013 0.000 3/31680 970.0 0.450 0.338 0.272 0.000 -0.012 0.000 3/31680 980.0 0.446 0.335 0.270 0.000 -0.012 0.000 3/31680 990.0 0.442 0.331 0.267 0.000 -0.012 0.000 3/31680 1000.0 0.437 0.328 0.264 0.000 -0.012 0.000 3/31680 Thermal conductivity related properties were written into "kappa-m1064.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:50:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|