----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 03:52:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [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 7.877724590010975 0.000000000000000 0.000000000000000 b 0.000000000000000 10.973037910000000 0.000000000000000 c -3.840735249991542 0.000000000000000 10.717291568814851 Atomic positions (fractional): *1 La 0.08527132502675 0.37170824345046 0.42641234501585 138.905 2 La 0.08527132502675 0.12829175654954 0.92641234501585 138.905 *3 La 0.22160823416461 0.58006944491698 0.18916996695857 138.905 *4 La 0.27296212326947 0.09492206729304 0.29408031717112 138.905 5 La 0.22160823416461 0.91993055508302 0.68916996695857 138.905 *6 La 0.41413736470486 0.87699714483402 0.08358099758125 138.905 7 La 0.27296212326947 0.40507793270696 0.79408031717112 138.905 8 La 0.58586263529514 0.37699714483402 0.41641900241875 138.905 9 La 0.41413736470486 0.62300285516598 0.58358099758125 138.905 10 La 0.72703787673053 0.59492206729304 0.20591968282888 138.905 11 La 0.58586263529514 0.12300285516598 0.91641900241875 138.905 12 La 0.77839176583539 0.08006944491698 0.31083003304143 138.905 13 La 0.72703787673053 0.90507793270696 0.70591968282888 138.905 14 La 0.77839176583539 0.41993055508302 0.81083003304143 138.905 15 La 0.91472867497325 0.87170824345046 0.07358765498415 138.905 16 La 0.91472867497325 0.62829175654954 0.57358765498415 138.905 *17 Al 0.03086075277960 0.80616572736531 0.37076523091907 26.982 18 Al 0.03086075277960 0.69383427263469 0.87076523091907 26.982 *19 Al 0.40677713774054 0.30483108655112 0.12384630950159 26.982 20 Al 0.59322286225946 0.80483108655112 0.37615369049841 26.982 21 Al 0.40677713774054 0.19516891344888 0.62384630950159 26.982 22 Al 0.59322286225946 0.69516891344888 0.87615369049841 26.982 23 Al 0.96913924722040 0.30616572736531 0.12923476908093 26.982 24 Al 0.96913924722040 0.19383427263469 0.62923476908093 26.982 *25 O 0.05083284999344 0.95908087618545 0.33074281646383 15.999 *26 O 0.01946333758517 0.71663727816618 0.23831463618354 15.999 *27 O 0.16983603348436 0.99809508083420 0.10256577457324 15.999 *28 O 0.18616916409601 0.27339275769836 0.12321875633800 15.999 *29 O 0.31566213849614 0.49945307598654 0.39464569213933 15.999 30 O 0.05083284999344 0.54091912381455 0.83074281646383 15.999 31 O 0.01946333758517 0.78336272183382 0.73831463618354 15.999 *32 O 0.38547902281552 0.23407349236056 0.46964088067907 15.999 *33 O 0.16634323035149 0.73655564591062 0.02132253832603 15.999 *34 O 0.47243707886426 0.70995020917550 0.25105680039355 15.999 35 O 0.16983603348436 0.50190491916580 0.60256577457324 15.999 36 O 0.18616916409601 0.22660724230164 0.62321875633799 15.999 *37 O 0.52428142403563 0.95361310965515 0.32138873553095 15.999 38 O 0.31566213849614 0.00054692401346 0.89464569213933 15.999 39 O 0.47571857596437 0.45361310965515 0.17861126446905 15.999 40 O 0.38547902281552 0.26592650763944 0.96964088067907 15.999 41 O 0.52756292113574 0.20995020917550 0.24894319960645 15.999 42 O 0.16634323035149 0.76344435408938 0.52132253832603 15.999 43 O 0.83365676964851 0.23655564591062 0.47867746167397 15.999 44 O 0.47243707886426 0.79004979082450 0.75105680039356 15.999 45 O 0.61452097718448 0.73407349236056 0.03035911932093 15.999 46 O 0.52428142403563 0.54638689034485 0.82138873553095 15.999 47 O 0.68433786150386 0.99945307598654 0.10535430786067 15.999 48 O 0.47571857596437 0.04638689034485 0.67861126446905 15.999 49 O 0.81383083590399 0.77339275769836 0.37678124366200 15.999 50 O 0.83016396651564 0.49809508083421 0.39743422542676 15.999 51 O 0.52756292113574 0.29004979082450 0.74894319960644 15.999 52 O 0.83365676964851 0.26344435408938 0.97867746167397 15.999 53 O 0.61452097718448 0.76592650763944 0.53035911932093 15.999 54 O 0.98053666241483 0.21663727816618 0.26168536381646 15.999 55 O 0.94916715000657 0.45908087618545 0.16925718353617 15.999 56 O 0.68433786150386 0.50054692401346 0.60535430786067 15.999 57 O 0.81383083590399 0.72660724230164 0.87678124366201 15.999 58 O 0.83016396651564 0.00190491916580 0.89743422542676 15.999 59 O 0.98053666241483 0.28336272183382 0.76168536381646 15.999 60 O 0.94916715000657 0.04091912381455 0.66925718353617 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.877724590010975 0.000000000000000 0.000000000000000 b 0.000000000000000 10.973037910000000 0.000000000000000 c -3.840735249991542 0.000000000000000 10.717291568814851 Atomic positions (fractional): *1 La 0.08527132502675 0.37170824345046 0.42641234501585 138.905 > 1 2 La 0.08527132502675 0.12829175654954 0.92641234501585 138.905 > 2 *3 La 0.22160823416461 0.58006944491698 0.18916996695857 138.905 > 3 *4 La 0.27296212326947 0.09492206729304 0.29408031717112 138.905 > 4 5 La 0.22160823416461 0.91993055508302 0.68916996695857 138.905 > 5 *6 La 0.41413736470486 0.87699714483402 0.08358099758125 138.905 > 6 7 La 0.27296212326947 0.40507793270696 0.79408031717112 138.905 > 7 8 La 0.58586263529514 0.37699714483402 0.41641900241875 138.905 > 8 9 La 0.41413736470486 0.62300285516598 0.58358099758125 138.905 > 9 10 La 0.72703787673053 0.59492206729304 0.20591968282888 138.905 > 10 11 La 0.58586263529514 0.12300285516598 0.91641900241875 138.905 > 11 12 La 0.77839176583539 0.08006944491698 0.31083003304143 138.905 > 12 13 La 0.72703787673053 0.90507793270696 0.70591968282888 138.905 > 13 14 La 0.77839176583539 0.41993055508302 0.81083003304143 138.905 > 14 15 La 0.91472867497325 0.87170824345046 0.07358765498415 138.905 > 15 16 La 0.91472867497325 0.62829175654954 0.57358765498415 138.905 > 16 *17 Al 0.03086075277960 0.80616572736531 0.37076523091907 26.982 > 17 18 Al 0.03086075277960 0.69383427263469 0.87076523091907 26.982 > 18 *19 Al 0.40677713774054 0.30483108655112 0.12384630950159 26.982 > 19 20 Al 0.59322286225946 0.80483108655112 0.37615369049841 26.982 > 20 21 Al 0.40677713774054 0.19516891344888 0.62384630950159 26.982 > 21 22 Al 0.59322286225946 0.69516891344888 0.87615369049841 26.982 > 22 23 Al 0.96913924722040 0.30616572736531 0.12923476908093 26.982 > 23 24 Al 0.96913924722040 0.19383427263469 0.62923476908093 26.982 > 24 *25 O 0.05083284999344 0.95908087618545 0.33074281646383 15.999 > 25 *26 O 0.01946333758517 0.71663727816618 0.23831463618354 15.999 > 26 *27 O 0.16983603348436 0.99809508083420 0.10256577457324 15.999 > 27 *28 O 0.18616916409601 0.27339275769836 0.12321875633800 15.999 > 28 *29 O 0.31566213849614 0.49945307598654 0.39464569213933 15.999 > 29 30 O 0.05083284999344 0.54091912381455 0.83074281646383 15.999 > 30 31 O 0.01946333758517 0.78336272183382 0.73831463618354 15.999 > 31 *32 O 0.38547902281552 0.23407349236056 0.46964088067907 15.999 > 32 *33 O 0.16634323035149 0.73655564591062 0.02132253832603 15.999 > 33 *34 O 0.47243707886426 0.70995020917550 0.25105680039355 15.999 > 34 35 O 0.16983603348436 0.50190491916580 0.60256577457324 15.999 > 35 36 O 0.18616916409601 0.22660724230164 0.62321875633799 15.999 > 36 *37 O 0.52428142403563 0.95361310965515 0.32138873553095 15.999 > 37 38 O 0.31566213849614 0.00054692401346 0.89464569213933 15.999 > 38 39 O 0.47571857596437 0.45361310965515 0.17861126446905 15.999 > 39 40 O 0.38547902281552 0.26592650763944 0.96964088067907 15.999 > 40 41 O 0.52756292113574 0.20995020917550 0.24894319960645 15.999 > 41 42 O 0.16634323035149 0.76344435408938 0.52132253832603 15.999 > 42 43 O 0.83365676964851 0.23655564591062 0.47867746167397 15.999 > 43 44 O 0.47243707886426 0.79004979082450 0.75105680039356 15.999 > 44 45 O 0.61452097718448 0.73407349236056 0.03035911932093 15.999 > 45 46 O 0.52428142403563 0.54638689034485 0.82138873553095 15.999 > 46 47 O 0.68433786150386 0.99945307598654 0.10535430786067 15.999 > 47 48 O 0.47571857596437 0.04638689034485 0.67861126446905 15.999 > 48 49 O 0.81383083590399 0.77339275769836 0.37678124366200 15.999 > 49 50 O 0.83016396651564 0.49809508083421 0.39743422542676 15.999 > 50 51 O 0.52756292113574 0.29004979082450 0.74894319960644 15.999 > 51 52 O 0.83365676964851 0.26344435408938 0.97867746167397 15.999 > 52 53 O 0.61452097718448 0.76592650763944 0.53035911932093 15.999 > 53 54 O 0.98053666241483 0.21663727816618 0.26168536381646 15.999 > 54 55 O 0.94916715000657 0.45908087618545 0.16925718353617 15.999 > 55 56 O 0.68433786150386 0.50054692401346 0.60535430786067 15.999 > 56 57 O 0.81383083590399 0.72660724230164 0.87678124366201 15.999 > 57 58 O 0.83016396651564 0.00190491916580 0.89743422542676 15.999 > 58 59 O 0.98053666241483 0.28336272183382 0.76168536381646 15.999 > 59 60 O 0.94916715000657 0.04091912381455 0.66925718353617 15.999 > 60 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.755449180021950 0.000000000000000 0.000000000000000 b 0.000000000000000 10.973037910000000 0.000000000000000 c -3.840735249991542 0.000000000000000 10.717291568814851 Atomic positions (fractional): *1 La 0.04263566251338 0.37170824345046 0.42641234501585 138.905 > 1 2 La 0.54263566251338 0.37170824345046 0.42641234501585 138.905 > 1 3 La 0.04263566251338 0.12829175654954 0.92641234501585 138.905 > 2 4 La 0.54263566251338 0.12829175654954 0.92641234501585 138.905 > 2 *5 La 0.11080411708230 0.58006944491698 0.18916996695857 138.905 > 3 6 La 0.61080411708230 0.58006944491698 0.18916996695857 138.905 > 3 *7 La 0.13648106163474 0.09492206729304 0.29408031717112 138.905 > 4 8 La 0.63648106163474 0.09492206729304 0.29408031717112 138.905 > 4 9 La 0.11080411708230 0.91993055508302 0.68916996695857 138.905 > 5 10 La 0.61080411708230 0.91993055508302 0.68916996695857 138.905 > 5 *11 La 0.20706868235243 0.87699714483402 0.08358099758125 138.905 > 6 12 La 0.70706868235243 0.87699714483402 0.08358099758125 138.905 > 6 13 La 0.13648106163474 0.40507793270696 0.79408031717112 138.905 > 7 14 La 0.63648106163474 0.40507793270696 0.79408031717112 138.905 > 7 15 La 0.29293131764757 0.37699714483402 0.41641900241875 138.905 > 8 16 La 0.79293131764757 0.37699714483402 0.41641900241875 138.905 > 8 17 La 0.20706868235243 0.62300285516598 0.58358099758125 138.905 > 9 18 La 0.70706868235243 0.62300285516598 0.58358099758125 138.905 > 9 19 La 0.36351893836526 0.59492206729304 0.20591968282888 138.905 > 10 20 La 0.86351893836526 0.59492206729304 0.20591968282888 138.905 > 10 21 La 0.29293131764757 0.12300285516598 0.91641900241875 138.905 > 11 22 La 0.79293131764757 0.12300285516598 0.91641900241875 138.905 > 11 23 La 0.38919588291770 0.08006944491698 0.31083003304143 138.905 > 12 24 La 0.88919588291770 0.08006944491698 0.31083003304143 138.905 > 12 25 La 0.36351893836526 0.90507793270696 0.70591968282888 138.905 > 13 26 La 0.86351893836526 0.90507793270696 0.70591968282888 138.905 > 13 27 La 0.38919588291770 0.41993055508302 0.81083003304143 138.905 > 14 28 La 0.88919588291770 0.41993055508302 0.81083003304143 138.905 > 14 29 La 0.45736433748662 0.87170824345046 0.07358765498415 138.905 > 15 30 La 0.95736433748662 0.87170824345046 0.07358765498415 138.905 > 15 31 La 0.45736433748662 0.62829175654954 0.57358765498415 138.905 > 16 32 La 0.95736433748662 0.62829175654954 0.57358765498415 138.905 > 16 *33 Al 0.01543037638980 0.80616572736531 0.37076523091907 26.982 > 17 34 Al 0.51543037638980 0.80616572736531 0.37076523091907 26.982 > 17 35 Al 0.01543037638980 0.69383427263469 0.87076523091907 26.982 > 18 36 Al 0.51543037638980 0.69383427263469 0.87076523091907 26.982 > 18 *37 Al 0.20338856887027 0.30483108655112 0.12384630950159 26.982 > 19 38 Al 0.70338856887027 0.30483108655112 0.12384630950159 26.982 > 19 39 Al 0.29661143112973 0.80483108655112 0.37615369049841 26.982 > 20 40 Al 0.79661143112973 0.80483108655112 0.37615369049841 26.982 > 20 41 Al 0.20338856887027 0.19516891344888 0.62384630950159 26.982 > 21 42 Al 0.70338856887027 0.19516891344888 0.62384630950159 26.982 > 21 43 Al 0.29661143112973 0.69516891344888 0.87615369049841 26.982 > 22 44 Al 0.79661143112973 0.69516891344888 0.87615369049841 26.982 > 22 45 Al 0.48456962361020 0.30616572736531 0.12923476908093 26.982 > 23 46 Al 0.98456962361020 0.30616572736531 0.12923476908093 26.982 > 23 47 Al 0.48456962361020 0.19383427263469 0.62923476908093 26.982 > 24 48 Al 0.98456962361020 0.19383427263469 0.62923476908093 26.982 > 24 *49 O 0.02541642499672 0.95908087618545 0.33074281646383 15.999 > 25 50 O 0.52541642499672 0.95908087618545 0.33074281646383 15.999 > 25 *51 O 0.00973166879259 0.71663727816618 0.23831463618354 15.999 > 26 52 O 0.50973166879259 0.71663727816618 0.23831463618354 15.999 > 26 *53 O 0.08491801674218 0.99809508083420 0.10256577457324 15.999 > 27 54 O 0.58491801674218 0.99809508083420 0.10256577457324 15.999 > 27 *55 O 0.09308458204801 0.27339275769836 0.12321875633800 15.999 > 28 56 O 0.59308458204801 0.27339275769836 0.12321875633800 15.999 > 28 *57 O 0.15783106924807 0.49945307598654 0.39464569213933 15.999 > 29 58 O 0.65783106924807 0.49945307598654 0.39464569213933 15.999 > 29 59 O 0.02541642499672 0.54091912381455 0.83074281646383 15.999 > 30 60 O 0.52541642499672 0.54091912381455 0.83074281646383 15.999 > 30 61 O 0.00973166879259 0.78336272183382 0.73831463618354 15.999 > 31 62 O 0.50973166879259 0.78336272183382 0.73831463618354 15.999 > 31 *63 O 0.19273951140776 0.23407349236056 0.46964088067907 15.999 > 32 64 O 0.69273951140776 0.23407349236056 0.46964088067907 15.999 > 32 *65 O 0.08317161517574 0.73655564591062 0.02132253832603 15.999 > 33 66 O 0.58317161517574 0.73655564591062 0.02132253832603 15.999 > 33 *67 O 0.23621853943213 0.70995020917550 0.25105680039355 15.999 > 34 68 O 0.73621853943213 0.70995020917550 0.25105680039355 15.999 > 34 69 O 0.08491801674218 0.50190491916580 0.60256577457324 15.999 > 35 70 O 0.58491801674218 0.50190491916580 0.60256577457324 15.999 > 35 71 O 0.09308458204801 0.22660724230164 0.62321875633799 15.999 > 36 72 O 0.59308458204801 0.22660724230164 0.62321875633799 15.999 > 36 *73 O 0.26214071201781 0.95361310965515 0.32138873553095 15.999 > 37 74 O 0.76214071201781 0.95361310965515 0.32138873553095 15.999 > 37 75 O 0.15783106924807 0.00054692401346 0.89464569213933 15.999 > 38 76 O 0.65783106924807 0.00054692401346 0.89464569213933 15.999 > 38 77 O 0.23785928798219 0.45361310965515 0.17861126446905 15.999 > 39 78 O 0.73785928798219 0.45361310965515 0.17861126446905 15.999 > 39 79 O 0.19273951140776 0.26592650763944 0.96964088067907 15.999 > 40 80 O 0.69273951140776 0.26592650763944 0.96964088067907 15.999 > 40 81 O 0.26378146056787 0.20995020917550 0.24894319960645 15.999 > 41 82 O 0.76378146056787 0.20995020917550 0.24894319960645 15.999 > 41 83 O 0.08317161517574 0.76344435408938 0.52132253832603 15.999 > 42 84 O 0.58317161517574 0.76344435408938 0.52132253832603 15.999 > 42 85 O 0.41682838482426 0.23655564591062 0.47867746167397 15.999 > 43 86 O 0.91682838482426 0.23655564591062 0.47867746167397 15.999 > 43 87 O 0.23621853943213 0.79004979082450 0.75105680039356 15.999 > 44 88 O 0.73621853943213 0.79004979082450 0.75105680039356 15.999 > 44 89 O 0.30726048859224 0.73407349236056 0.03035911932093 15.999 > 45 90 O 0.80726048859224 0.73407349236056 0.03035911932093 15.999 > 45 91 O 0.26214071201781 0.54638689034485 0.82138873553095 15.999 > 46 92 O 0.76214071201781 0.54638689034485 0.82138873553095 15.999 > 46 93 O 0.34216893075193 0.99945307598654 0.10535430786067 15.999 > 47 94 O 0.84216893075193 0.99945307598654 0.10535430786067 15.999 > 47 95 O 0.23785928798219 0.04638689034485 0.67861126446905 15.999 > 48 96 O 0.73785928798219 0.04638689034485 0.67861126446905 15.999 > 48 97 O 0.40691541795199 0.77339275769836 0.37678124366200 15.999 > 49 98 O 0.90691541795199 0.77339275769836 0.37678124366200 15.999 > 49 99 O 0.41508198325782 0.49809508083421 0.39743422542676 15.999 > 50 100 O 0.91508198325782 0.49809508083421 0.39743422542676 15.999 > 50 101 O 0.26378146056787 0.29004979082450 0.74894319960644 15.999 > 51 102 O 0.76378146056787 0.29004979082450 0.74894319960644 15.999 > 51 103 O 0.41682838482426 0.26344435408938 0.97867746167397 15.999 > 52 104 O 0.91682838482426 0.26344435408938 0.97867746167397 15.999 > 52 105 O 0.30726048859224 0.76592650763944 0.53035911932093 15.999 > 53 106 O 0.80726048859224 0.76592650763944 0.53035911932093 15.999 > 53 107 O 0.49026833120741 0.21663727816618 0.26168536381646 15.999 > 54 108 O 0.99026833120741 0.21663727816618 0.26168536381646 15.999 > 54 109 O 0.47458357500328 0.45908087618545 0.16925718353617 15.999 > 55 110 O 0.97458357500328 0.45908087618545 0.16925718353617 15.999 > 55 111 O 0.34216893075193 0.50054692401346 0.60535430786067 15.999 > 56 112 O 0.84216893075193 0.50054692401346 0.60535430786067 15.999 > 56 113 O 0.40691541795199 0.72660724230164 0.87678124366201 15.999 > 57 114 O 0.90691541795199 0.72660724230164 0.87678124366201 15.999 > 57 115 O 0.41508198325782 0.00190491916580 0.89743422542676 15.999 > 58 116 O 0.91508198325782 0.00190491916580 0.89743422542676 15.999 > 58 117 O 0.49026833120741 0.28336272183382 0.76168536381646 15.999 > 59 118 O 0.99026833120741 0.28336272183382 0.76168536381646 15.999 > 59 119 O 0.47458357500328 0.04091912381455 0.66925718353617 15.999 > 60 120 O 0.97458357500328 0.04091912381455 0.66925718353617 15.999 > 60 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9576092 0.0000000 0.0161039 0.0000000 3.9059476 0.0000000 0.0161054 0.0000000 3.8154781 -------------------------- Born effective charges -------------------------- 1 La 4.0883238 0.0194607 0.0085860 -0.0188738 3.9859529 0.2531328 -0.0088373 0.4170318 3.8031275 2 La 4.0883238 -0.0194607 0.0085860 0.0188738 3.9859529 -0.2531328 -0.0088373 -0.4170318 3.8031275 3 La 4.4933745 0.1051103 0.0185013 0.0490005 4.1334425 -0.6383544 0.0775264 -0.7024317 3.4566185 4 La 4.2316504 0.0953482 0.0364305 0.0371979 4.0136681 0.6402693 -0.0066165 0.6903037 3.7436767 5 La 4.4933745 -0.1051103 0.0185013 -0.0490005 4.1334425 0.6383544 0.0775264 0.7024317 3.4566185 6 La 4.4310029 0.0371584 0.0594955 -0.0018603 3.9871708 -0.3015729 0.0814733 -0.5025716 3.4310252 7 La 4.2316504 -0.0953482 0.0364305 -0.0371979 4.0136681 -0.6402693 -0.0066165 -0.6903037 3.7436767 8 La 4.4310029 -0.0371584 0.0594955 0.0018603 3.9871708 0.3015729 0.0814733 0.5025716 3.4310252 9 La 4.4310029 -0.0371584 0.0594955 0.0018603 3.9871708 0.3015729 0.0814733 0.5025716 3.4310252 10 La 4.2316504 -0.0953482 0.0364305 -0.0371979 4.0136681 -0.6402693 -0.0066165 -0.6903037 3.7436767 11 La 4.4310029 0.0371584 0.0594955 -0.0018603 3.9871708 -0.3015729 0.0814733 -0.5025716 3.4310252 12 La 4.4933745 -0.1051103 0.0185013 -0.0490005 4.1334425 0.6383544 0.0775264 0.7024317 3.4566185 13 La 4.2316504 0.0953482 0.0364305 0.0371979 4.0136681 0.6402693 -0.0066165 0.6903037 3.7436767 14 La 4.4933745 0.1051103 0.0185013 0.0490005 4.1334425 -0.6383544 0.0775264 -0.7024317 3.4566185 15 La 4.0883238 -0.0194607 0.0085860 0.0188738 3.9859529 -0.2531328 -0.0088373 -0.4170318 3.8031275 16 La 4.0883238 0.0194607 0.0085860 -0.0188738 3.9859529 0.2531328 -0.0088373 0.4170318 3.8031275 17 Al 2.1673836 0.1471917 -0.0188516 0.2449684 2.5853414 -0.3248892 -0.0005086 -0.3102721 2.8210105 18 Al 2.1673836 -0.1471917 -0.0188516 -0.2449684 2.5853414 0.3248892 -0.0005086 0.3102721 2.8210105 19 Al 2.1991611 0.1329445 0.0652086 0.2198777 2.5505667 0.2830455 0.0140658 0.4117461 2.8868974 20 Al 2.1991611 -0.1329445 0.0652086 -0.2198777 2.5505667 -0.2830455 0.0140658 -0.4117461 2.8868974 21 Al 2.1991611 -0.1329445 0.0652086 -0.2198777 2.5505667 -0.2830455 0.0140658 -0.4117461 2.8868974 22 Al 2.1991611 0.1329445 0.0652086 0.2198777 2.5505667 0.2830455 0.0140658 0.4117461 2.8868974 23 Al 2.1673836 -0.1471917 -0.0188516 -0.2449684 2.5853414 0.3248892 -0.0005086 0.3102721 2.8210105 24 Al 2.1673836 0.1471917 -0.0188516 0.2449684 2.5853414 -0.3248892 -0.0005086 -0.3102721 2.8210105 25 O -2.4227253 -0.2028343 0.1026620 -0.2201594 -2.5801706 0.2338941 0.0989950 0.2647270 -1.7801048 26 O -2.3440436 0.3486076 0.2152836 0.2811205 -2.5021070 0.1763549 0.1545036 0.2561051 -2.0791017 27 O -2.6389318 -0.1065266 -0.0960794 -0.0707280 -2.4695164 -0.2448657 -0.0891268 -0.0865488 -2.7742465 28 O -2.4355840 0.0037566 -0.0093641 0.0159636 -1.9314870 -0.1873688 0.0028640 -0.2388367 -1.9772145 29 O -2.6517434 -0.1054303 0.0752029 -0.0700339 -2.2752349 0.1909149 0.0649142 -0.0038328 -2.8547583 30 O -2.4227253 0.2028343 0.1026620 0.2201594 -2.5801706 -0.2338941 0.0989950 -0.2647270 -1.7801048 31 O -2.3440436 -0.3486076 0.2152836 -0.2811205 -2.5021070 -0.1763549 0.1545036 -0.2561051 -2.0791017 32 O -2.1368146 -0.2813788 0.2146325 -0.2371048 -2.2122706 -0.1507509 0.1676577 -0.2232042 -2.5559783 33 O -2.1692404 -0.3133343 -0.2721744 -0.2708963 -2.2807889 -0.0312406 -0.2366306 0.0927859 -2.3591416 34 O -2.4672023 -0.3796362 -0.2622376 -0.3166319 -2.4306492 -0.0137746 -0.1984726 0.1294540 -1.9398105 35 O -2.6389318 0.1065266 -0.0960794 0.0707280 -2.4695164 0.2448657 -0.0891268 0.0865488 -2.7742465 36 O -2.4355840 -0.0037566 -0.0093641 -0.0159636 -1.9314870 0.1873688 0.0028640 0.2388367 -1.9772145 37 O -2.3446108 0.1937998 -0.1372958 0.2109499 -2.5739177 0.2071498 -0.1218077 0.2354232 -1.8219995 38 O -2.6517434 0.1054303 0.0752029 0.0700339 -2.2752349 -0.1909149 0.0649142 0.0038328 -2.8547583 39 O -2.3446108 -0.1937998 -0.1372958 -0.2109499 -2.5739177 -0.2071498 -0.1218077 -0.2354232 -1.8219995 40 O -2.1368146 0.2813788 0.2146325 0.2371048 -2.2122706 0.1507509 0.1676577 0.2232042 -2.5559783 41 O -2.4672023 0.3796362 -0.2622376 0.3166319 -2.4306492 0.0137746 -0.1984726 -0.1294540 -1.9398105 42 O -2.1692404 0.3133343 -0.2721744 0.2708963 -2.2807889 0.0312406 -0.2366306 -0.0927859 -2.3591416 43 O -2.1692404 0.3133343 -0.2721744 0.2708963 -2.2807889 0.0312406 -0.2366306 -0.0927859 -2.3591416 44 O -2.4672023 0.3796362 -0.2622376 0.3166319 -2.4306492 0.0137746 -0.1984726 -0.1294540 -1.9398105 45 O -2.1368146 0.2813788 0.2146325 0.2371048 -2.2122706 0.1507509 0.1676577 0.2232042 -2.5559783 46 O -2.3446108 -0.1937998 -0.1372958 -0.2109499 -2.5739177 -0.2071498 -0.1218077 -0.2354232 -1.8219995 47 O -2.6517434 0.1054303 0.0752029 0.0700339 -2.2752349 -0.1909149 0.0649142 0.0038328 -2.8547583 48 O -2.3446108 0.1937998 -0.1372958 0.2109499 -2.5739177 0.2071498 -0.1218077 0.2354232 -1.8219995 49 O -2.4355840 -0.0037566 -0.0093641 -0.0159636 -1.9314870 0.1873688 0.0028640 0.2388367 -1.9772145 50 O -2.6389318 0.1065266 -0.0960794 0.0707280 -2.4695164 0.2448657 -0.0891268 0.0865488 -2.7742465 51 O -2.4672023 -0.3796362 -0.2622376 -0.3166319 -2.4306492 -0.0137746 -0.1984726 0.1294540 -1.9398105 52 O -2.1692404 -0.3133343 -0.2721744 -0.2708963 -2.2807889 -0.0312406 -0.2366306 0.0927859 -2.3591416 53 O -2.1368146 -0.2813788 0.2146325 -0.2371048 -2.2122706 -0.1507509 0.1676577 -0.2232042 -2.5559783 54 O -2.3440436 -0.3486076 0.2152836 -0.2811205 -2.5021070 -0.1763549 0.1545036 -0.2561051 -2.0791017 55 O -2.4227253 0.2028343 0.1026620 0.2201594 -2.5801706 -0.2338941 0.0989950 -0.2647270 -1.7801048 56 O -2.6517434 -0.1054303 0.0752029 -0.0700339 -2.2752349 0.1909149 0.0649142 -0.0038328 -2.8547583 57 O -2.4355840 0.0037566 -0.0093641 0.0159636 -1.9314870 -0.1873688 0.0028640 -0.2388367 -1.9772145 58 O -2.6389318 -0.1065266 -0.0960794 -0.0707280 -2.4695164 -0.2448657 -0.0891268 -0.0865488 -2.7742465 59 O -2.3440436 0.3486076 0.2152836 0.2811205 -2.5021070 0.1763549 0.1545036 0.2561051 -2.0791017 60 O -2.4227253 -0.2028343 0.1026620 -0.2201594 -2.5801706 0.2338941 0.0989950 0.2647270 -1.7801048 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8280 Number of blocks in projector: 8280 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: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1800 / 1800 (1) 274 eigenvectors found. (1) Complementary block size: 112 (1) Compute compressed projector. (1) Use standard solver. (1) 82 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1800 / 1800 (1) 287 eigenvectors found. (1) Complementary block size: 86 (1) Compute compressed projector. (1) Use standard solver. (1) 57 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1800 / 1800 (1) 274 eigenvectors found. (1) Complementary block size: 112 (1) Compute compressed projector. (1) Use standard solver. (1) 82 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. Tree of FC basis block matrices: - (8280, 8146), data: False |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1800, 1770), data: False |-- (1800, 82), data: (1800, 112) @ (112, 82) |-- (300, 274), data: True |-- (500, 470), data: False |-- (500, 20), data: (500, 50) @ (50, 20) |-- (250, 220), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (1800, 1771), data: False |-- (1800, 57), data: (1800, 86) @ (86, 57) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (1800, 1770), data: False |-- (1800, 82), data: (1800, 112) @ (112, 82) |-- (300, 274), data: True |-- (500, 470), data: False |-- (500, 20), data: (500, 50) @ (50, 20) |-- (250, 220), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1840 - Time: 2.370 Solver_block: 200 / 1840 - Time: 2.064 Solver_block: 300 / 1840 - Time: 2.055 Solver_block: 400 / 1840 - Time: 2.067 Solver_block: 500 / 1840 - Time: 2.062 Solver_block: 600 / 1840 - Time: 2.062 Solver_block: 700 / 1840 - Time: 2.059 Solver_block: 800 / 1840 - Time: 2.069 Solver_block: 900 / 1840 - Time: 2.065 Solver_block: 1000 / 1840 - Time: 2.061 Solver_block: 1100 / 1840 - Time: 2.064 Solver_block: 1200 / 1840 - Time: 2.066 Solver_block: 1300 / 1840 - Time: 2.065 Solver_block: 1400 / 1840 - Time: 2.061 Solver_block: 1500 / 1840 - Time: 2.070 Solver_block: 1600 / 1840 - Time: 2.064 Solver_block: 1700 / 1840 - Time: 2.065 Solver_block: 1800 / 1840 - Time: 2.060 Solver_block: 1840 / 1840 - Time: 1.034 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 39.492 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8280 Number of blocks in projector: 8280 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: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1800 / 1800 (1) 274 eigenvectors found. (1) Complementary block size: 112 (1) Compute compressed projector. (1) Use standard solver. (1) 82 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1800 / 1800 (1) 287 eigenvectors found. (1) Complementary block size: 86 (1) Compute compressed projector. (1) Use standard solver. (1) 57 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1800 / 1800 (1) 274 eigenvectors found. (1) Complementary block size: 112 (1) Compute compressed projector. (1) Use standard solver. (1) 82 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. Tree of FC basis block matrices: - (8280, 8146), data: False |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1800, 1770), data: False |-- (1800, 82), data: (1800, 112) @ (112, 82) |-- (300, 274), data: True |-- (500, 470), data: False |-- (500, 20), data: (500, 50) @ (50, 20) |-- (250, 220), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (1800, 1771), data: False |-- (1800, 57), data: (1800, 86) @ (86, 57) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (1800, 1770), data: False |-- (1800, 82), data: (1800, 112) @ (112, 82) |-- (300, 274), data: True |-- (500, 470), data: False |-- (500, 20), data: (500, 50) @ (50, 20) |-- (250, 220), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) 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 2026-01-09 03:54:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:54:38]------------------------- 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 7.877724590010975 0.000000000000000 0.000000000000000 b 0.000000000000000 10.973037910000000 0.000000000000000 c -3.840735249991542 0.000000000000000 10.717291568814851 Atomic positions (fractional): 1 La 0.08527132502675 0.37170824345046 0.42641234501585 138.905 2 La 0.08527132502675 0.12829175654954 0.92641234501585 138.905 3 La 0.22160823416461 0.58006944491698 0.18916996695857 138.905 4 La 0.27296212326947 0.09492206729304 0.29408031717112 138.905 5 La 0.22160823416461 0.91993055508302 0.68916996695857 138.905 6 La 0.41413736470486 0.87699714483402 0.08358099758125 138.905 7 La 0.27296212326947 0.40507793270696 0.79408031717112 138.905 8 La 0.58586263529514 0.37699714483402 0.41641900241875 138.905 9 La 0.41413736470486 0.62300285516598 0.58358099758125 138.905 10 La 0.72703787673053 0.59492206729304 0.20591968282888 138.905 11 La 0.58586263529514 0.12300285516598 0.91641900241875 138.905 12 La 0.77839176583539 0.08006944491698 0.31083003304143 138.905 13 La 0.72703787673053 0.90507793270696 0.70591968282888 138.905 14 La 0.77839176583539 0.41993055508302 0.81083003304143 138.905 15 La 0.91472867497325 0.87170824345046 0.07358765498415 138.905 16 La 0.91472867497325 0.62829175654954 0.57358765498415 138.905 17 Al 0.03086075277960 0.80616572736531 0.37076523091907 26.982 18 Al 0.03086075277960 0.69383427263469 0.87076523091907 26.982 19 Al 0.40677713774054 0.30483108655112 0.12384630950159 26.982 20 Al 0.59322286225946 0.80483108655112 0.37615369049841 26.982 21 Al 0.40677713774054 0.19516891344888 0.62384630950159 26.982 22 Al 0.59322286225946 0.69516891344888 0.87615369049841 26.982 23 Al 0.96913924722040 0.30616572736531 0.12923476908093 26.982 24 Al 0.96913924722040 0.19383427263469 0.62923476908093 26.982 25 O 0.05083284999344 0.95908087618545 0.33074281646383 15.999 26 O 0.01946333758517 0.71663727816618 0.23831463618354 15.999 27 O 0.16983603348436 0.99809508083420 0.10256577457324 15.999 28 O 0.18616916409601 0.27339275769836 0.12321875633800 15.999 29 O 0.31566213849614 0.49945307598654 0.39464569213933 15.999 30 O 0.05083284999344 0.54091912381455 0.83074281646383 15.999 31 O 0.01946333758517 0.78336272183382 0.73831463618354 15.999 32 O 0.38547902281552 0.23407349236056 0.46964088067907 15.999 33 O 0.16634323035149 0.73655564591062 0.02132253832603 15.999 34 O 0.47243707886426 0.70995020917550 0.25105680039355 15.999 35 O 0.16983603348436 0.50190491916580 0.60256577457324 15.999 36 O 0.18616916409601 0.22660724230164 0.62321875633799 15.999 37 O 0.52428142403563 0.95361310965515 0.32138873553095 15.999 38 O 0.31566213849614 0.00054692401346 0.89464569213933 15.999 39 O 0.47571857596437 0.45361310965515 0.17861126446905 15.999 40 O 0.38547902281552 0.26592650763944 0.96964088067907 15.999 41 O 0.52756292113574 0.20995020917550 0.24894319960645 15.999 42 O 0.16634323035149 0.76344435408938 0.52132253832603 15.999 43 O 0.83365676964851 0.23655564591062 0.47867746167397 15.999 44 O 0.47243707886426 0.79004979082450 0.75105680039356 15.999 45 O 0.61452097718448 0.73407349236056 0.03035911932093 15.999 46 O 0.52428142403563 0.54638689034485 0.82138873553095 15.999 47 O 0.68433786150386 0.99945307598654 0.10535430786067 15.999 48 O 0.47571857596437 0.04638689034485 0.67861126446905 15.999 49 O 0.81383083590399 0.77339275769836 0.37678124366200 15.999 50 O 0.83016396651564 0.49809508083421 0.39743422542676 15.999 51 O 0.52756292113574 0.29004979082450 0.74894319960644 15.999 52 O 0.83365676964851 0.26344435408938 0.97867746167397 15.999 53 O 0.61452097718448 0.76592650763944 0.53035911932093 15.999 54 O 0.98053666241483 0.21663727816618 0.26168536381646 15.999 55 O 0.94916715000657 0.45908087618545 0.16925718353617 15.999 56 O 0.68433786150386 0.50054692401346 0.60535430786067 15.999 57 O 0.81383083590399 0.72660724230164 0.87678124366201 15.999 58 O 0.83016396651564 0.00190491916580 0.89743422542676 15.999 59 O 0.98053666241483 0.28336272183382 0.76168536381646 15.999 60 O 0.94916715000657 0.04091912381455 0.66925718353617 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.755449180021950 0.000000000000000 0.000000000000000 b 0.000000000000000 10.973037910000000 0.000000000000000 c -3.840735249991542 0.000000000000000 10.717291568814851 Atomic positions (fractional): 1 La 0.04263566251338 0.37170824345046 0.42641234501585 138.905 > 1 2 La 0.54263566251338 0.37170824345046 0.42641234501585 138.905 > 1 3 La 0.04263566251338 0.12829175654954 0.92641234501585 138.905 > 3 4 La 0.54263566251338 0.12829175654954 0.92641234501585 138.905 > 3 5 La 0.11080411708230 0.58006944491698 0.18916996695857 138.905 > 5 6 La 0.61080411708230 0.58006944491698 0.18916996695857 138.905 > 5 7 La 0.13648106163474 0.09492206729304 0.29408031717112 138.905 > 7 8 La 0.63648106163474 0.09492206729304 0.29408031717112 138.905 > 7 9 La 0.11080411708230 0.91993055508302 0.68916996695857 138.905 > 9 10 La 0.61080411708230 0.91993055508302 0.68916996695857 138.905 > 9 11 La 0.20706868235243 0.87699714483402 0.08358099758125 138.905 > 11 12 La 0.70706868235243 0.87699714483402 0.08358099758125 138.905 > 11 13 La 0.13648106163474 0.40507793270696 0.79408031717112 138.905 > 13 14 La 0.63648106163474 0.40507793270696 0.79408031717112 138.905 > 13 15 La 0.29293131764757 0.37699714483402 0.41641900241875 138.905 > 15 16 La 0.79293131764757 0.37699714483402 0.41641900241875 138.905 > 15 17 La 0.20706868235243 0.62300285516598 0.58358099758125 138.905 > 17 18 La 0.70706868235243 0.62300285516598 0.58358099758125 138.905 > 17 19 La 0.36351893836526 0.59492206729304 0.20591968282888 138.905 > 19 20 La 0.86351893836526 0.59492206729304 0.20591968282888 138.905 > 19 21 La 0.29293131764757 0.12300285516598 0.91641900241875 138.905 > 21 22 La 0.79293131764757 0.12300285516598 0.91641900241875 138.905 > 21 23 La 0.38919588291770 0.08006944491698 0.31083003304143 138.905 > 23 24 La 0.88919588291770 0.08006944491698 0.31083003304143 138.905 > 23 25 La 0.36351893836526 0.90507793270696 0.70591968282888 138.905 > 25 26 La 0.86351893836526 0.90507793270696 0.70591968282888 138.905 > 25 27 La 0.38919588291770 0.41993055508302 0.81083003304143 138.905 > 27 28 La 0.88919588291770 0.41993055508302 0.81083003304143 138.905 > 27 29 La 0.45736433748662 0.87170824345046 0.07358765498415 138.905 > 29 30 La 0.95736433748662 0.87170824345046 0.07358765498415 138.905 > 29 31 La 0.45736433748662 0.62829175654954 0.57358765498415 138.905 > 31 32 La 0.95736433748662 0.62829175654954 0.57358765498415 138.905 > 31 33 Al 0.01543037638980 0.80616572736531 0.37076523091907 26.982 > 33 34 Al 0.51543037638980 0.80616572736531 0.37076523091907 26.982 > 33 35 Al 0.01543037638980 0.69383427263469 0.87076523091907 26.982 > 35 36 Al 0.51543037638980 0.69383427263469 0.87076523091907 26.982 > 35 37 Al 0.20338856887027 0.30483108655112 0.12384630950159 26.982 > 37 38 Al 0.70338856887027 0.30483108655112 0.12384630950159 26.982 > 37 39 Al 0.29661143112973 0.80483108655112 0.37615369049841 26.982 > 39 40 Al 0.79661143112973 0.80483108655112 0.37615369049841 26.982 > 39 41 Al 0.20338856887027 0.19516891344888 0.62384630950159 26.982 > 41 42 Al 0.70338856887027 0.19516891344888 0.62384630950159 26.982 > 41 43 Al 0.29661143112973 0.69516891344888 0.87615369049841 26.982 > 43 44 Al 0.79661143112973 0.69516891344888 0.87615369049841 26.982 > 43 45 Al 0.48456962361020 0.30616572736531 0.12923476908093 26.982 > 45 46 Al 0.98456962361020 0.30616572736531 0.12923476908093 26.982 > 45 47 Al 0.48456962361020 0.19383427263469 0.62923476908093 26.982 > 47 48 Al 0.98456962361020 0.19383427263469 0.62923476908093 26.982 > 47 49 O 0.02541642499672 0.95908087618545 0.33074281646383 15.999 > 49 50 O 0.52541642499672 0.95908087618545 0.33074281646383 15.999 > 49 51 O 0.00973166879259 0.71663727816618 0.23831463618354 15.999 > 51 52 O 0.50973166879259 0.71663727816618 0.23831463618354 15.999 > 51 53 O 0.08491801674218 0.99809508083420 0.10256577457324 15.999 > 53 54 O 0.58491801674218 0.99809508083420 0.10256577457324 15.999 > 53 55 O 0.09308458204801 0.27339275769836 0.12321875633800 15.999 > 55 56 O 0.59308458204801 0.27339275769836 0.12321875633800 15.999 > 55 57 O 0.15783106924807 0.49945307598654 0.39464569213933 15.999 > 57 58 O 0.65783106924807 0.49945307598654 0.39464569213933 15.999 > 57 59 O 0.02541642499672 0.54091912381455 0.83074281646383 15.999 > 59 60 O 0.52541642499672 0.54091912381455 0.83074281646383 15.999 > 59 61 O 0.00973166879259 0.78336272183382 0.73831463618354 15.999 > 61 62 O 0.50973166879259 0.78336272183382 0.73831463618354 15.999 > 61 63 O 0.19273951140776 0.23407349236056 0.46964088067907 15.999 > 63 64 O 0.69273951140776 0.23407349236056 0.46964088067907 15.999 > 63 65 O 0.08317161517574 0.73655564591062 0.02132253832603 15.999 > 65 66 O 0.58317161517574 0.73655564591062 0.02132253832603 15.999 > 65 67 O 0.23621853943213 0.70995020917550 0.25105680039355 15.999 > 67 68 O 0.73621853943213 0.70995020917550 0.25105680039355 15.999 > 67 69 O 0.08491801674218 0.50190491916580 0.60256577457324 15.999 > 69 70 O 0.58491801674218 0.50190491916580 0.60256577457324 15.999 > 69 71 O 0.09308458204801 0.22660724230164 0.62321875633799 15.999 > 71 72 O 0.59308458204801 0.22660724230164 0.62321875633799 15.999 > 71 73 O 0.26214071201781 0.95361310965515 0.32138873553095 15.999 > 73 74 O 0.76214071201781 0.95361310965515 0.32138873553095 15.999 > 73 75 O 0.15783106924807 0.00054692401346 0.89464569213933 15.999 > 75 76 O 0.65783106924807 0.00054692401346 0.89464569213933 15.999 > 75 77 O 0.23785928798219 0.45361310965515 0.17861126446905 15.999 > 77 78 O 0.73785928798219 0.45361310965515 0.17861126446905 15.999 > 77 79 O 0.19273951140776 0.26592650763944 0.96964088067907 15.999 > 79 80 O 0.69273951140776 0.26592650763944 0.96964088067907 15.999 > 79 81 O 0.26378146056787 0.20995020917550 0.24894319960645 15.999 > 81 82 O 0.76378146056787 0.20995020917550 0.24894319960645 15.999 > 81 83 O 0.08317161517574 0.76344435408938 0.52132253832603 15.999 > 83 84 O 0.58317161517574 0.76344435408938 0.52132253832603 15.999 > 83 85 O 0.41682838482426 0.23655564591062 0.47867746167397 15.999 > 85 86 O 0.91682838482426 0.23655564591062 0.47867746167397 15.999 > 85 87 O 0.23621853943213 0.79004979082450 0.75105680039356 15.999 > 87 88 O 0.73621853943213 0.79004979082450 0.75105680039356 15.999 > 87 89 O 0.30726048859224 0.73407349236056 0.03035911932093 15.999 > 89 90 O 0.80726048859224 0.73407349236056 0.03035911932093 15.999 > 89 91 O 0.26214071201781 0.54638689034485 0.82138873553095 15.999 > 91 92 O 0.76214071201781 0.54638689034485 0.82138873553095 15.999 > 91 93 O 0.34216893075193 0.99945307598654 0.10535430786067 15.999 > 93 94 O 0.84216893075193 0.99945307598654 0.10535430786067 15.999 > 93 95 O 0.23785928798219 0.04638689034485 0.67861126446905 15.999 > 95 96 O 0.73785928798219 0.04638689034485 0.67861126446905 15.999 > 95 97 O 0.40691541795199 0.77339275769836 0.37678124366200 15.999 > 97 98 O 0.90691541795199 0.77339275769836 0.37678124366200 15.999 > 97 99 O 0.41508198325782 0.49809508083421 0.39743422542676 15.999 > 99 100 O 0.91508198325782 0.49809508083421 0.39743422542676 15.999 > 99 101 O 0.26378146056787 0.29004979082450 0.74894319960644 15.999 > 101 102 O 0.76378146056787 0.29004979082450 0.74894319960644 15.999 > 101 103 O 0.41682838482426 0.26344435408938 0.97867746167397 15.999 > 103 104 O 0.91682838482426 0.26344435408938 0.97867746167397 15.999 > 103 105 O 0.30726048859224 0.76592650763944 0.53035911932093 15.999 > 105 106 O 0.80726048859224 0.76592650763944 0.53035911932093 15.999 > 105 107 O 0.49026833120741 0.21663727816618 0.26168536381646 15.999 > 107 108 O 0.99026833120741 0.21663727816618 0.26168536381646 15.999 > 107 109 O 0.47458357500328 0.45908087618545 0.16925718353617 15.999 > 109 110 O 0.97458357500328 0.45908087618545 0.16925718353617 15.999 > 109 111 O 0.34216893075193 0.50054692401346 0.60535430786067 15.999 > 111 112 O 0.84216893075193 0.50054692401346 0.60535430786067 15.999 > 111 113 O 0.40691541795199 0.72660724230164 0.87678124366201 15.999 > 113 114 O 0.90691541795199 0.72660724230164 0.87678124366201 15.999 > 113 115 O 0.41508198325782 0.00190491916580 0.89743422542676 15.999 > 115 116 O 0.91508198325782 0.00190491916580 0.89743422542676 15.999 > 115 117 O 0.49026833120741 0.28336272183382 0.76168536381646 15.999 > 117 118 O 0.99026833120741 0.28336272183382 0.76168536381646 15.999 > 117 119 O 0.47458357500328 0.04091912381455 0.66925718353617 15.999 > 119 120 O 0.97458357500328 0.04091912381455 0.66925718353617 15.999 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9576092 0.0000000 0.0161039 0.0000000 3.9059476 0.0000000 0.0161054 0.0000000 3.8154781 -------------------------- Born effective charges -------------------------- 1 La 4.0883238 0.0194607 0.0085860 -0.0188738 3.9859529 0.2531328 -0.0088373 0.4170318 3.8031275 2 La 4.0883238 -0.0194607 0.0085860 0.0188738 3.9859529 -0.2531328 -0.0088373 -0.4170318 3.8031275 3 La 4.4933745 0.1051103 0.0185013 0.0490005 4.1334425 -0.6383544 0.0775264 -0.7024317 3.4566185 4 La 4.2316504 0.0953482 0.0364305 0.0371979 4.0136681 0.6402693 -0.0066165 0.6903037 3.7436767 5 La 4.4933745 -0.1051103 0.0185013 -0.0490005 4.1334425 0.6383544 0.0775264 0.7024317 3.4566185 6 La 4.4310029 0.0371584 0.0594955 -0.0018603 3.9871708 -0.3015729 0.0814733 -0.5025716 3.4310252 7 La 4.2316504 -0.0953482 0.0364305 -0.0371979 4.0136681 -0.6402693 -0.0066165 -0.6903037 3.7436767 8 La 4.4310029 -0.0371584 0.0594955 0.0018603 3.9871708 0.3015729 0.0814733 0.5025716 3.4310252 9 La 4.4310029 -0.0371584 0.0594955 0.0018603 3.9871708 0.3015729 0.0814733 0.5025716 3.4310252 10 La 4.2316504 -0.0953482 0.0364305 -0.0371979 4.0136681 -0.6402693 -0.0066165 -0.6903037 3.7436767 11 La 4.4310029 0.0371584 0.0594955 -0.0018603 3.9871708 -0.3015729 0.0814733 -0.5025716 3.4310252 12 La 4.4933745 -0.1051103 0.0185013 -0.0490005 4.1334425 0.6383544 0.0775264 0.7024317 3.4566185 13 La 4.2316504 0.0953482 0.0364305 0.0371979 4.0136681 0.6402693 -0.0066165 0.6903037 3.7436767 14 La 4.4933745 0.1051103 0.0185013 0.0490005 4.1334425 -0.6383544 0.0775264 -0.7024317 3.4566185 15 La 4.0883238 -0.0194607 0.0085860 0.0188738 3.9859529 -0.2531328 -0.0088373 -0.4170318 3.8031275 16 La 4.0883238 0.0194607 0.0085860 -0.0188738 3.9859529 0.2531328 -0.0088373 0.4170318 3.8031275 17 Al 2.1673836 0.1471917 -0.0188516 0.2449684 2.5853414 -0.3248892 -0.0005086 -0.3102721 2.8210105 18 Al 2.1673836 -0.1471917 -0.0188516 -0.2449684 2.5853414 0.3248892 -0.0005086 0.3102721 2.8210105 19 Al 2.1991611 0.1329445 0.0652086 0.2198777 2.5505667 0.2830455 0.0140658 0.4117461 2.8868974 20 Al 2.1991611 -0.1329445 0.0652086 -0.2198777 2.5505667 -0.2830455 0.0140658 -0.4117461 2.8868974 21 Al 2.1991611 -0.1329445 0.0652086 -0.2198777 2.5505667 -0.2830455 0.0140658 -0.4117461 2.8868974 22 Al 2.1991611 0.1329445 0.0652086 0.2198777 2.5505667 0.2830455 0.0140658 0.4117461 2.8868974 23 Al 2.1673836 -0.1471917 -0.0188516 -0.2449684 2.5853414 0.3248892 -0.0005086 0.3102721 2.8210105 24 Al 2.1673836 0.1471917 -0.0188516 0.2449684 2.5853414 -0.3248892 -0.0005086 -0.3102721 2.8210105 25 O -2.4227253 -0.2028343 0.1026620 -0.2201594 -2.5801706 0.2338941 0.0989950 0.2647270 -1.7801048 26 O -2.3440436 0.3486076 0.2152836 0.2811205 -2.5021070 0.1763549 0.1545036 0.2561051 -2.0791017 27 O -2.6389318 -0.1065266 -0.0960794 -0.0707280 -2.4695164 -0.2448657 -0.0891268 -0.0865488 -2.7742465 28 O -2.4355840 0.0037566 -0.0093641 0.0159636 -1.9314870 -0.1873688 0.0028640 -0.2388367 -1.9772145 29 O -2.6517434 -0.1054303 0.0752029 -0.0700339 -2.2752349 0.1909149 0.0649142 -0.0038328 -2.8547583 30 O -2.4227253 0.2028343 0.1026620 0.2201594 -2.5801706 -0.2338941 0.0989950 -0.2647270 -1.7801048 31 O -2.3440436 -0.3486076 0.2152836 -0.2811205 -2.5021070 -0.1763549 0.1545036 -0.2561051 -2.0791017 32 O -2.1368146 -0.2813788 0.2146325 -0.2371048 -2.2122706 -0.1507509 0.1676577 -0.2232042 -2.5559783 33 O -2.1692404 -0.3133343 -0.2721744 -0.2708963 -2.2807889 -0.0312406 -0.2366306 0.0927859 -2.3591416 34 O -2.4672023 -0.3796362 -0.2622376 -0.3166319 -2.4306492 -0.0137746 -0.1984726 0.1294540 -1.9398105 35 O -2.6389318 0.1065266 -0.0960794 0.0707280 -2.4695164 0.2448657 -0.0891268 0.0865488 -2.7742465 36 O -2.4355840 -0.0037566 -0.0093641 -0.0159636 -1.9314870 0.1873688 0.0028640 0.2388367 -1.9772145 37 O -2.3446108 0.1937998 -0.1372958 0.2109499 -2.5739177 0.2071498 -0.1218077 0.2354232 -1.8219995 38 O -2.6517434 0.1054303 0.0752029 0.0700339 -2.2752349 -0.1909149 0.0649142 0.0038328 -2.8547583 39 O -2.3446108 -0.1937998 -0.1372958 -0.2109499 -2.5739177 -0.2071498 -0.1218077 -0.2354232 -1.8219995 40 O -2.1368146 0.2813788 0.2146325 0.2371048 -2.2122706 0.1507509 0.1676577 0.2232042 -2.5559783 41 O -2.4672023 0.3796362 -0.2622376 0.3166319 -2.4306492 0.0137746 -0.1984726 -0.1294540 -1.9398105 42 O -2.1692404 0.3133343 -0.2721744 0.2708963 -2.2807889 0.0312406 -0.2366306 -0.0927859 -2.3591416 43 O -2.1692404 0.3133343 -0.2721744 0.2708963 -2.2807889 0.0312406 -0.2366306 -0.0927859 -2.3591416 44 O -2.4672023 0.3796362 -0.2622376 0.3166319 -2.4306492 0.0137746 -0.1984726 -0.1294540 -1.9398105 45 O -2.1368146 0.2813788 0.2146325 0.2371048 -2.2122706 0.1507509 0.1676577 0.2232042 -2.5559783 46 O -2.3446108 -0.1937998 -0.1372958 -0.2109499 -2.5739177 -0.2071498 -0.1218077 -0.2354232 -1.8219995 47 O -2.6517434 0.1054303 0.0752029 0.0700339 -2.2752349 -0.1909149 0.0649142 0.0038328 -2.8547583 48 O -2.3446108 0.1937998 -0.1372958 0.2109499 -2.5739177 0.2071498 -0.1218077 0.2354232 -1.8219995 49 O -2.4355840 -0.0037566 -0.0093641 -0.0159636 -1.9314870 0.1873688 0.0028640 0.2388367 -1.9772145 50 O -2.6389318 0.1065266 -0.0960794 0.0707280 -2.4695164 0.2448657 -0.0891268 0.0865488 -2.7742465 51 O -2.4672023 -0.3796362 -0.2622376 -0.3166319 -2.4306492 -0.0137746 -0.1984726 0.1294540 -1.9398105 52 O -2.1692404 -0.3133343 -0.2721744 -0.2708963 -2.2807889 -0.0312406 -0.2366306 0.0927859 -2.3591416 53 O -2.1368146 -0.2813788 0.2146325 -0.2371048 -2.2122706 -0.1507509 0.1676577 -0.2232042 -2.5559783 54 O -2.3440436 -0.3486076 0.2152836 -0.2811205 -2.5021070 -0.1763549 0.1545036 -0.2561051 -2.0791017 55 O -2.4227253 0.2028343 0.1026620 0.2201594 -2.5801706 -0.2338941 0.0989950 -0.2647270 -1.7801048 56 O -2.6517434 -0.1054303 0.0752029 -0.0700339 -2.2752349 0.1909149 0.0649142 -0.0038328 -2.8547583 57 O -2.4355840 0.0037566 -0.0093641 0.0159636 -1.9314870 -0.1873688 0.0028640 -0.2388367 -1.9772145 58 O -2.6389318 -0.1065266 -0.0960794 -0.0707280 -2.4695164 -0.2448657 -0.0891268 -0.0865488 -2.7742465 59 O -2.3440436 0.3486076 0.2152836 0.2811205 -2.5021070 0.1763549 0.1545036 0.2561051 -2.0791017 60 O -2.4227253 -0.2028343 0.1026620 -0.2201594 -2.5801706 0.2338941 0.0989950 0.2647270 -1.7801048 ---------------------------------------------------------------------------- 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 5, 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 7, 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 11, 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 51, 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 55, 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 63, 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 67, 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:55:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:55:57]------------------------- 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 7.877724590010975 0.000000000000000 0.000000000000000 b 0.000000000000000 10.973037910000000 0.000000000000000 c -3.840735249991542 0.000000000000000 10.717291568814851 Atomic positions (fractional): 1 La 0.08527132502675 0.37170824345046 0.42641234501585 138.905 2 La 0.08527132502675 0.12829175654954 0.92641234501585 138.905 3 La 0.22160823416461 0.58006944491698 0.18916996695857 138.905 4 La 0.27296212326947 0.09492206729304 0.29408031717112 138.905 5 La 0.22160823416461 0.91993055508302 0.68916996695857 138.905 6 La 0.41413736470486 0.87699714483402 0.08358099758125 138.905 7 La 0.27296212326947 0.40507793270696 0.79408031717112 138.905 8 La 0.58586263529514 0.37699714483402 0.41641900241875 138.905 9 La 0.41413736470486 0.62300285516598 0.58358099758125 138.905 10 La 0.72703787673053 0.59492206729304 0.20591968282888 138.905 11 La 0.58586263529514 0.12300285516598 0.91641900241875 138.905 12 La 0.77839176583539 0.08006944491698 0.31083003304143 138.905 13 La 0.72703787673053 0.90507793270696 0.70591968282888 138.905 14 La 0.77839176583539 0.41993055508302 0.81083003304143 138.905 15 La 0.91472867497325 0.87170824345046 0.07358765498415 138.905 16 La 0.91472867497325 0.62829175654954 0.57358765498415 138.905 17 Al 0.03086075277960 0.80616572736531 0.37076523091907 26.982 18 Al 0.03086075277960 0.69383427263469 0.87076523091907 26.982 19 Al 0.40677713774054 0.30483108655112 0.12384630950159 26.982 20 Al 0.59322286225946 0.80483108655112 0.37615369049841 26.982 21 Al 0.40677713774054 0.19516891344888 0.62384630950159 26.982 22 Al 0.59322286225946 0.69516891344888 0.87615369049841 26.982 23 Al 0.96913924722040 0.30616572736531 0.12923476908093 26.982 24 Al 0.96913924722040 0.19383427263469 0.62923476908093 26.982 25 O 0.05083284999344 0.95908087618545 0.33074281646383 15.999 26 O 0.01946333758517 0.71663727816618 0.23831463618354 15.999 27 O 0.16983603348436 0.99809508083420 0.10256577457324 15.999 28 O 0.18616916409601 0.27339275769836 0.12321875633800 15.999 29 O 0.31566213849614 0.49945307598654 0.39464569213933 15.999 30 O 0.05083284999344 0.54091912381455 0.83074281646383 15.999 31 O 0.01946333758517 0.78336272183382 0.73831463618354 15.999 32 O 0.38547902281552 0.23407349236056 0.46964088067907 15.999 33 O 0.16634323035149 0.73655564591062 0.02132253832603 15.999 34 O 0.47243707886426 0.70995020917550 0.25105680039355 15.999 35 O 0.16983603348436 0.50190491916580 0.60256577457324 15.999 36 O 0.18616916409601 0.22660724230164 0.62321875633799 15.999 37 O 0.52428142403563 0.95361310965515 0.32138873553095 15.999 38 O 0.31566213849614 0.00054692401346 0.89464569213933 15.999 39 O 0.47571857596437 0.45361310965515 0.17861126446905 15.999 40 O 0.38547902281552 0.26592650763944 0.96964088067907 15.999 41 O 0.52756292113574 0.20995020917550 0.24894319960645 15.999 42 O 0.16634323035149 0.76344435408938 0.52132253832603 15.999 43 O 0.83365676964851 0.23655564591062 0.47867746167397 15.999 44 O 0.47243707886426 0.79004979082450 0.75105680039356 15.999 45 O 0.61452097718448 0.73407349236056 0.03035911932093 15.999 46 O 0.52428142403563 0.54638689034485 0.82138873553095 15.999 47 O 0.68433786150386 0.99945307598654 0.10535430786067 15.999 48 O 0.47571857596437 0.04638689034485 0.67861126446905 15.999 49 O 0.81383083590399 0.77339275769836 0.37678124366200 15.999 50 O 0.83016396651564 0.49809508083421 0.39743422542676 15.999 51 O 0.52756292113574 0.29004979082450 0.74894319960644 15.999 52 O 0.83365676964851 0.26344435408938 0.97867746167397 15.999 53 O 0.61452097718448 0.76592650763944 0.53035911932093 15.999 54 O 0.98053666241483 0.21663727816618 0.26168536381646 15.999 55 O 0.94916715000657 0.45908087618545 0.16925718353617 15.999 56 O 0.68433786150386 0.50054692401346 0.60535430786067 15.999 57 O 0.81383083590399 0.72660724230164 0.87678124366201 15.999 58 O 0.83016396651564 0.00190491916580 0.89743422542676 15.999 59 O 0.98053666241483 0.28336272183382 0.76168536381646 15.999 60 O 0.94916715000657 0.04091912381455 0.66925718353617 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.755449180021950 0.000000000000000 0.000000000000000 b 0.000000000000000 10.973037910000000 0.000000000000000 c -3.840735249991542 0.000000000000000 10.717291568814851 Atomic positions (fractional): 1 La 0.04263566251338 0.37170824345046 0.42641234501585 138.905 > 1 2 La 0.54263566251338 0.37170824345046 0.42641234501585 138.905 > 1 3 La 0.04263566251338 0.12829175654954 0.92641234501585 138.905 > 3 4 La 0.54263566251338 0.12829175654954 0.92641234501585 138.905 > 3 5 La 0.11080411708230 0.58006944491698 0.18916996695857 138.905 > 5 6 La 0.61080411708230 0.58006944491698 0.18916996695857 138.905 > 5 7 La 0.13648106163474 0.09492206729304 0.29408031717112 138.905 > 7 8 La 0.63648106163474 0.09492206729304 0.29408031717112 138.905 > 7 9 La 0.11080411708230 0.91993055508302 0.68916996695857 138.905 > 9 10 La 0.61080411708230 0.91993055508302 0.68916996695857 138.905 > 9 11 La 0.20706868235243 0.87699714483402 0.08358099758125 138.905 > 11 12 La 0.70706868235243 0.87699714483402 0.08358099758125 138.905 > 11 13 La 0.13648106163474 0.40507793270696 0.79408031717112 138.905 > 13 14 La 0.63648106163474 0.40507793270696 0.79408031717112 138.905 > 13 15 La 0.29293131764757 0.37699714483402 0.41641900241875 138.905 > 15 16 La 0.79293131764757 0.37699714483402 0.41641900241875 138.905 > 15 17 La 0.20706868235243 0.62300285516598 0.58358099758125 138.905 > 17 18 La 0.70706868235243 0.62300285516598 0.58358099758125 138.905 > 17 19 La 0.36351893836526 0.59492206729304 0.20591968282888 138.905 > 19 20 La 0.86351893836526 0.59492206729304 0.20591968282888 138.905 > 19 21 La 0.29293131764757 0.12300285516598 0.91641900241875 138.905 > 21 22 La 0.79293131764757 0.12300285516598 0.91641900241875 138.905 > 21 23 La 0.38919588291770 0.08006944491698 0.31083003304143 138.905 > 23 24 La 0.88919588291770 0.08006944491698 0.31083003304143 138.905 > 23 25 La 0.36351893836526 0.90507793270696 0.70591968282888 138.905 > 25 26 La 0.86351893836526 0.90507793270696 0.70591968282888 138.905 > 25 27 La 0.38919588291770 0.41993055508302 0.81083003304143 138.905 > 27 28 La 0.88919588291770 0.41993055508302 0.81083003304143 138.905 > 27 29 La 0.45736433748662 0.87170824345046 0.07358765498415 138.905 > 29 30 La 0.95736433748662 0.87170824345046 0.07358765498415 138.905 > 29 31 La 0.45736433748662 0.62829175654954 0.57358765498415 138.905 > 31 32 La 0.95736433748662 0.62829175654954 0.57358765498415 138.905 > 31 33 Al 0.01543037638980 0.80616572736531 0.37076523091907 26.982 > 33 34 Al 0.51543037638980 0.80616572736531 0.37076523091907 26.982 > 33 35 Al 0.01543037638980 0.69383427263469 0.87076523091907 26.982 > 35 36 Al 0.51543037638980 0.69383427263469 0.87076523091907 26.982 > 35 37 Al 0.20338856887027 0.30483108655112 0.12384630950159 26.982 > 37 38 Al 0.70338856887027 0.30483108655112 0.12384630950159 26.982 > 37 39 Al 0.29661143112973 0.80483108655112 0.37615369049841 26.982 > 39 40 Al 0.79661143112973 0.80483108655112 0.37615369049841 26.982 > 39 41 Al 0.20338856887027 0.19516891344888 0.62384630950159 26.982 > 41 42 Al 0.70338856887027 0.19516891344888 0.62384630950159 26.982 > 41 43 Al 0.29661143112973 0.69516891344888 0.87615369049841 26.982 > 43 44 Al 0.79661143112973 0.69516891344888 0.87615369049841 26.982 > 43 45 Al 0.48456962361020 0.30616572736531 0.12923476908093 26.982 > 45 46 Al 0.98456962361020 0.30616572736531 0.12923476908093 26.982 > 45 47 Al 0.48456962361020 0.19383427263469 0.62923476908093 26.982 > 47 48 Al 0.98456962361020 0.19383427263469 0.62923476908093 26.982 > 47 49 O 0.02541642499672 0.95908087618545 0.33074281646383 15.999 > 49 50 O 0.52541642499672 0.95908087618545 0.33074281646383 15.999 > 49 51 O 0.00973166879259 0.71663727816618 0.23831463618354 15.999 > 51 52 O 0.50973166879259 0.71663727816618 0.23831463618354 15.999 > 51 53 O 0.08491801674218 0.99809508083420 0.10256577457324 15.999 > 53 54 O 0.58491801674218 0.99809508083420 0.10256577457324 15.999 > 53 55 O 0.09308458204801 0.27339275769836 0.12321875633800 15.999 > 55 56 O 0.59308458204801 0.27339275769836 0.12321875633800 15.999 > 55 57 O 0.15783106924807 0.49945307598654 0.39464569213933 15.999 > 57 58 O 0.65783106924807 0.49945307598654 0.39464569213933 15.999 > 57 59 O 0.02541642499672 0.54091912381455 0.83074281646383 15.999 > 59 60 O 0.52541642499672 0.54091912381455 0.83074281646383 15.999 > 59 61 O 0.00973166879259 0.78336272183382 0.73831463618354 15.999 > 61 62 O 0.50973166879259 0.78336272183382 0.73831463618354 15.999 > 61 63 O 0.19273951140776 0.23407349236056 0.46964088067907 15.999 > 63 64 O 0.69273951140776 0.23407349236056 0.46964088067907 15.999 > 63 65 O 0.08317161517574 0.73655564591062 0.02132253832603 15.999 > 65 66 O 0.58317161517574 0.73655564591062 0.02132253832603 15.999 > 65 67 O 0.23621853943213 0.70995020917550 0.25105680039355 15.999 > 67 68 O 0.73621853943213 0.70995020917550 0.25105680039355 15.999 > 67 69 O 0.08491801674218 0.50190491916580 0.60256577457324 15.999 > 69 70 O 0.58491801674218 0.50190491916580 0.60256577457324 15.999 > 69 71 O 0.09308458204801 0.22660724230164 0.62321875633799 15.999 > 71 72 O 0.59308458204801 0.22660724230164 0.62321875633799 15.999 > 71 73 O 0.26214071201781 0.95361310965515 0.32138873553095 15.999 > 73 74 O 0.76214071201781 0.95361310965515 0.32138873553095 15.999 > 73 75 O 0.15783106924807 0.00054692401346 0.89464569213933 15.999 > 75 76 O 0.65783106924807 0.00054692401346 0.89464569213933 15.999 > 75 77 O 0.23785928798219 0.45361310965515 0.17861126446905 15.999 > 77 78 O 0.73785928798219 0.45361310965515 0.17861126446905 15.999 > 77 79 O 0.19273951140776 0.26592650763944 0.96964088067907 15.999 > 79 80 O 0.69273951140776 0.26592650763944 0.96964088067907 15.999 > 79 81 O 0.26378146056787 0.20995020917550 0.24894319960645 15.999 > 81 82 O 0.76378146056787 0.20995020917550 0.24894319960645 15.999 > 81 83 O 0.08317161517574 0.76344435408938 0.52132253832603 15.999 > 83 84 O 0.58317161517574 0.76344435408938 0.52132253832603 15.999 > 83 85 O 0.41682838482426 0.23655564591062 0.47867746167397 15.999 > 85 86 O 0.91682838482426 0.23655564591062 0.47867746167397 15.999 > 85 87 O 0.23621853943213 0.79004979082450 0.75105680039356 15.999 > 87 88 O 0.73621853943213 0.79004979082450 0.75105680039356 15.999 > 87 89 O 0.30726048859224 0.73407349236056 0.03035911932093 15.999 > 89 90 O 0.80726048859224 0.73407349236056 0.03035911932093 15.999 > 89 91 O 0.26214071201781 0.54638689034485 0.82138873553095 15.999 > 91 92 O 0.76214071201781 0.54638689034485 0.82138873553095 15.999 > 91 93 O 0.34216893075193 0.99945307598654 0.10535430786067 15.999 > 93 94 O 0.84216893075193 0.99945307598654 0.10535430786067 15.999 > 93 95 O 0.23785928798219 0.04638689034485 0.67861126446905 15.999 > 95 96 O 0.73785928798219 0.04638689034485 0.67861126446905 15.999 > 95 97 O 0.40691541795199 0.77339275769836 0.37678124366200 15.999 > 97 98 O 0.90691541795199 0.77339275769836 0.37678124366200 15.999 > 97 99 O 0.41508198325782 0.49809508083421 0.39743422542676 15.999 > 99 100 O 0.91508198325782 0.49809508083421 0.39743422542676 15.999 > 99 101 O 0.26378146056787 0.29004979082450 0.74894319960644 15.999 > 101 102 O 0.76378146056787 0.29004979082450 0.74894319960644 15.999 > 101 103 O 0.41682838482426 0.26344435408938 0.97867746167397 15.999 > 103 104 O 0.91682838482426 0.26344435408938 0.97867746167397 15.999 > 103 105 O 0.30726048859224 0.76592650763944 0.53035911932093 15.999 > 105 106 O 0.80726048859224 0.76592650763944 0.53035911932093 15.999 > 105 107 O 0.49026833120741 0.21663727816618 0.26168536381646 15.999 > 107 108 O 0.99026833120741 0.21663727816618 0.26168536381646 15.999 > 107 109 O 0.47458357500328 0.45908087618545 0.16925718353617 15.999 > 109 110 O 0.97458357500328 0.45908087618545 0.16925718353617 15.999 > 109 111 O 0.34216893075193 0.50054692401346 0.60535430786067 15.999 > 111 112 O 0.84216893075193 0.50054692401346 0.60535430786067 15.999 > 111 113 O 0.40691541795199 0.72660724230164 0.87678124366201 15.999 > 113 114 O 0.90691541795199 0.72660724230164 0.87678124366201 15.999 > 113 115 O 0.41508198325782 0.00190491916580 0.89743422542676 15.999 > 115 116 O 0.91508198325782 0.00190491916580 0.89743422542676 15.999 > 115 117 O 0.49026833120741 0.28336272183382 0.76168536381646 15.999 > 117 118 O 0.99026833120741 0.28336272183382 0.76168536381646 15.999 > 117 119 O 0.47458357500328 0.04091912381455 0.66925718353617 15.999 > 119 120 O 0.97458357500328 0.04091912381455 0.66925718353617 15.999 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.9576092 0.0000000 0.0161039 0.0000000 3.9059476 0.0000000 0.0161054 0.0000000 3.8154781 -------------------------- Born effective charges -------------------------- 1 La 4.0883238 0.0194607 0.0085860 -0.0188738 3.9859529 0.2531328 -0.0088373 0.4170318 3.8031275 2 La 4.0883238 -0.0194607 0.0085860 0.0188738 3.9859529 -0.2531328 -0.0088373 -0.4170318 3.8031275 3 La 4.4933745 0.1051103 0.0185013 0.0490005 4.1334425 -0.6383544 0.0775264 -0.7024317 3.4566185 4 La 4.2316504 0.0953482 0.0364305 0.0371979 4.0136681 0.6402693 -0.0066165 0.6903037 3.7436767 5 La 4.4933745 -0.1051103 0.0185013 -0.0490005 4.1334425 0.6383544 0.0775264 0.7024317 3.4566185 6 La 4.4310029 0.0371584 0.0594955 -0.0018603 3.9871708 -0.3015729 0.0814733 -0.5025716 3.4310252 7 La 4.2316504 -0.0953482 0.0364305 -0.0371979 4.0136681 -0.6402693 -0.0066165 -0.6903037 3.7436767 8 La 4.4310029 -0.0371584 0.0594955 0.0018603 3.9871708 0.3015729 0.0814733 0.5025716 3.4310252 9 La 4.4310029 -0.0371584 0.0594955 0.0018603 3.9871708 0.3015729 0.0814733 0.5025716 3.4310252 10 La 4.2316504 -0.0953482 0.0364305 -0.0371979 4.0136681 -0.6402693 -0.0066165 -0.6903037 3.7436767 11 La 4.4310029 0.0371584 0.0594955 -0.0018603 3.9871708 -0.3015729 0.0814733 -0.5025716 3.4310252 12 La 4.4933745 -0.1051103 0.0185013 -0.0490005 4.1334425 0.6383544 0.0775264 0.7024317 3.4566185 13 La 4.2316504 0.0953482 0.0364305 0.0371979 4.0136681 0.6402693 -0.0066165 0.6903037 3.7436767 14 La 4.4933745 0.1051103 0.0185013 0.0490005 4.1334425 -0.6383544 0.0775264 -0.7024317 3.4566185 15 La 4.0883238 -0.0194607 0.0085860 0.0188738 3.9859529 -0.2531328 -0.0088373 -0.4170318 3.8031275 16 La 4.0883238 0.0194607 0.0085860 -0.0188738 3.9859529 0.2531328 -0.0088373 0.4170318 3.8031275 17 Al 2.1673836 0.1471917 -0.0188516 0.2449684 2.5853414 -0.3248892 -0.0005086 -0.3102721 2.8210105 18 Al 2.1673836 -0.1471917 -0.0188516 -0.2449684 2.5853414 0.3248892 -0.0005086 0.3102721 2.8210105 19 Al 2.1991611 0.1329445 0.0652086 0.2198777 2.5505667 0.2830455 0.0140658 0.4117461 2.8868974 20 Al 2.1991611 -0.1329445 0.0652086 -0.2198777 2.5505667 -0.2830455 0.0140658 -0.4117461 2.8868974 21 Al 2.1991611 -0.1329445 0.0652086 -0.2198777 2.5505667 -0.2830455 0.0140658 -0.4117461 2.8868974 22 Al 2.1991611 0.1329445 0.0652086 0.2198777 2.5505667 0.2830455 0.0140658 0.4117461 2.8868974 23 Al 2.1673836 -0.1471917 -0.0188516 -0.2449684 2.5853414 0.3248892 -0.0005086 0.3102721 2.8210105 24 Al 2.1673836 0.1471917 -0.0188516 0.2449684 2.5853414 -0.3248892 -0.0005086 -0.3102721 2.8210105 25 O -2.4227253 -0.2028343 0.1026620 -0.2201594 -2.5801706 0.2338941 0.0989950 0.2647270 -1.7801048 26 O -2.3440436 0.3486076 0.2152836 0.2811205 -2.5021070 0.1763549 0.1545036 0.2561051 -2.0791017 27 O -2.6389318 -0.1065266 -0.0960794 -0.0707280 -2.4695164 -0.2448657 -0.0891268 -0.0865488 -2.7742465 28 O -2.4355840 0.0037566 -0.0093641 0.0159636 -1.9314870 -0.1873688 0.0028640 -0.2388367 -1.9772145 29 O -2.6517434 -0.1054303 0.0752029 -0.0700339 -2.2752349 0.1909149 0.0649142 -0.0038328 -2.8547583 30 O -2.4227253 0.2028343 0.1026620 0.2201594 -2.5801706 -0.2338941 0.0989950 -0.2647270 -1.7801048 31 O -2.3440436 -0.3486076 0.2152836 -0.2811205 -2.5021070 -0.1763549 0.1545036 -0.2561051 -2.0791017 32 O -2.1368146 -0.2813788 0.2146325 -0.2371048 -2.2122706 -0.1507509 0.1676577 -0.2232042 -2.5559783 33 O -2.1692404 -0.3133343 -0.2721744 -0.2708963 -2.2807889 -0.0312406 -0.2366306 0.0927859 -2.3591416 34 O -2.4672023 -0.3796362 -0.2622376 -0.3166319 -2.4306492 -0.0137746 -0.1984726 0.1294540 -1.9398105 35 O -2.6389318 0.1065266 -0.0960794 0.0707280 -2.4695164 0.2448657 -0.0891268 0.0865488 -2.7742465 36 O -2.4355840 -0.0037566 -0.0093641 -0.0159636 -1.9314870 0.1873688 0.0028640 0.2388367 -1.9772145 37 O -2.3446108 0.1937998 -0.1372958 0.2109499 -2.5739177 0.2071498 -0.1218077 0.2354232 -1.8219995 38 O -2.6517434 0.1054303 0.0752029 0.0700339 -2.2752349 -0.1909149 0.0649142 0.0038328 -2.8547583 39 O -2.3446108 -0.1937998 -0.1372958 -0.2109499 -2.5739177 -0.2071498 -0.1218077 -0.2354232 -1.8219995 40 O -2.1368146 0.2813788 0.2146325 0.2371048 -2.2122706 0.1507509 0.1676577 0.2232042 -2.5559783 41 O -2.4672023 0.3796362 -0.2622376 0.3166319 -2.4306492 0.0137746 -0.1984726 -0.1294540 -1.9398105 42 O -2.1692404 0.3133343 -0.2721744 0.2708963 -2.2807889 0.0312406 -0.2366306 -0.0927859 -2.3591416 43 O -2.1692404 0.3133343 -0.2721744 0.2708963 -2.2807889 0.0312406 -0.2366306 -0.0927859 -2.3591416 44 O -2.4672023 0.3796362 -0.2622376 0.3166319 -2.4306492 0.0137746 -0.1984726 -0.1294540 -1.9398105 45 O -2.1368146 0.2813788 0.2146325 0.2371048 -2.2122706 0.1507509 0.1676577 0.2232042 -2.5559783 46 O -2.3446108 -0.1937998 -0.1372958 -0.2109499 -2.5739177 -0.2071498 -0.1218077 -0.2354232 -1.8219995 47 O -2.6517434 0.1054303 0.0752029 0.0700339 -2.2752349 -0.1909149 0.0649142 0.0038328 -2.8547583 48 O -2.3446108 0.1937998 -0.1372958 0.2109499 -2.5739177 0.2071498 -0.1218077 0.2354232 -1.8219995 49 O -2.4355840 -0.0037566 -0.0093641 -0.0159636 -1.9314870 0.1873688 0.0028640 0.2388367 -1.9772145 50 O -2.6389318 0.1065266 -0.0960794 0.0707280 -2.4695164 0.2448657 -0.0891268 0.0865488 -2.7742465 51 O -2.4672023 -0.3796362 -0.2622376 -0.3166319 -2.4306492 -0.0137746 -0.1984726 0.1294540 -1.9398105 52 O -2.1692404 -0.3133343 -0.2721744 -0.2708963 -2.2807889 -0.0312406 -0.2366306 0.0927859 -2.3591416 53 O -2.1368146 -0.2813788 0.2146325 -0.2371048 -2.2122706 -0.1507509 0.1676577 -0.2232042 -2.5559783 54 O -2.3440436 -0.3486076 0.2152836 -0.2811205 -2.5021070 -0.1763549 0.1545036 -0.2561051 -2.0791017 55 O -2.4227253 0.2028343 0.1026620 0.2201594 -2.5801706 -0.2338941 0.0989950 -0.2647270 -1.7801048 56 O -2.6517434 -0.1054303 0.0752029 -0.0700339 -2.2752349 0.1909149 0.0649142 -0.0038328 -2.8547583 57 O -2.4355840 0.0037566 -0.0093641 0.0159636 -1.9314870 -0.1873688 0.0028640 -0.2388367 -1.9772145 58 O -2.6389318 -0.1065266 -0.0960794 -0.0707280 -2.4695164 -0.2448657 -0.0891268 -0.0865488 -2.7742465 59 O -2.3440436 0.3486076 0.2152836 0.2811205 -2.5021070 0.1763549 0.1545036 0.2561051 -2.0791017 60 O -2.4227253 -0.2028343 0.1026620 -0.2201594 -2.5801706 0.2338941 0.0989950 0.2647270 -1.7801048 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 5 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.43, Number of G-points: 311, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/54) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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: 54 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 1.959 ( 0.000 0.000 0.000) 0.000 2.062 ( 0.000 0.000 0.000) 0.000 2.115 ( 0.000 0.000 0.000) 0.000 2.240 ( 0.000 0.000 0.000) 0.000 2.250 ( 0.000 0.000 0.000) 0.000 2.348 ( 0.000 0.000 0.000) 0.000 2.422 ( 0.000 0.000 0.000) 0.000 2.520 ( 0.000 0.000 0.000) 0.000 2.611 ( 0.000 0.000 0.000) 0.000 2.639 ( 0.000 0.000 0.000) 0.000 2.703 ( 0.000 0.000 0.000) 0.000 2.706 ( 0.000 0.000 0.000) 0.000 2.736 ( 0.000 0.000 0.000) 0.000 2.841 ( 0.000 0.000 0.000) 0.000 2.847 ( 0.000 0.000 0.000) 0.000 2.931 ( 0.000 0.000 0.000) 0.000 3.021 ( 0.000 0.000 0.000) 0.000 3.081 ( 0.000 0.000 0.000) 0.000 3.113 ( 0.000 0.000 0.000) 0.000 3.139 ( 0.000 0.000 0.000) 0.000 3.174 ( 0.000 0.000 0.000) 0.000 3.269 ( 0.000 0.000 0.000) 0.000 3.438 ( 0.000 0.000 0.000) 0.000 3.444 ( 0.000 0.000 0.000) 0.000 3.511 ( 0.000 0.000 0.000) 0.000 3.586 ( 0.000 0.000 0.000) 0.000 3.687 ( 0.000 0.000 0.000) 0.000 3.712 ( 0.000 0.000 0.000) 0.000 3.720 ( 0.000 0.000 0.000) 0.000 3.824 ( 0.000 0.000 0.000) 0.000 3.855 ( 0.000 0.000 0.000) 0.000 3.911 ( 0.000 0.000 0.000) 0.000 4.065 ( 0.000 0.000 0.000) 0.000 4.161 ( 0.000 0.000 0.000) 0.000 4.228 ( 0.000 0.000 0.000) 0.000 4.358 ( 0.000 0.000 0.000) 0.000 4.467 ( 0.000 0.000 0.000) 0.000 4.472 ( 0.000 0.000 0.000) 0.000 4.538 ( 0.000 0.000 0.000) 0.000 4.555 ( 0.000 0.000 0.000) 0.000 4.655 ( 0.000 0.000 0.000) 0.000 4.709 ( 0.000 0.000 0.000) 0.000 4.915 ( 0.000 0.000 0.000) 0.000 4.917 ( 0.000 0.000 0.000) 0.000 4.990 ( 0.000 0.000 0.000) 0.000 5.014 ( 0.000 0.000 0.000) 0.000 5.082 ( 0.000 0.000 0.000) 0.000 5.095 ( 0.000 0.000 0.000) 0.000 5.139 ( 0.000 0.000 0.000) 0.000 5.193 ( 0.000 0.000 0.000) 0.000 5.262 ( 0.000 0.000 0.000) 0.000 5.285 ( 0.000 0.000 0.000) 0.000 5.340 ( 0.000 0.000 0.000) 0.000 5.536 ( 0.000 0.000 0.000) 0.000 5.544 ( 0.000 0.000 0.000) 0.000 5.557 ( 0.000 0.000 0.000) 0.000 5.642 ( 0.000 0.000 0.000) 0.000 5.826 ( 0.000 0.000 0.000) 0.000 5.839 ( 0.000 0.000 0.000) 0.000 5.968 ( 0.000 0.000 0.000) 0.000 6.099 ( 0.000 0.000 0.000) 0.000 6.144 ( 0.000 0.000 0.000) 0.000 6.195 ( 0.000 0.000 0.000) 0.000 6.230 ( 0.000 0.000 0.000) 0.000 6.480 ( 0.000 0.000 0.000) 0.000 6.565 ( 0.000 0.000 0.000) 0.000 6.571 ( 0.000 0.000 0.000) 0.000 6.717 ( 0.000 0.000 0.000) 0.000 6.755 ( 0.000 0.000 0.000) 0.000 6.833 ( 0.000 0.000 0.000) 0.000 6.933 ( 0.000 0.000 0.000) 0.000 7.021 ( 0.000 0.000 0.000) 0.000 7.128 ( 0.000 0.000 0.000) 0.000 7.192 ( 0.000 0.000 0.000) 0.000 7.322 ( 0.000 0.000 0.000) 0.000 7.349 ( 0.000 0.000 0.000) 0.000 7.502 ( 0.000 0.000 0.000) 0.000 7.503 ( 0.000 0.000 0.000) 0.000 7.648 ( 0.000 0.000 0.000) 0.000 7.792 ( 0.000 0.000 0.000) 0.000 8.022 ( 0.000 0.000 0.000) 0.000 8.219 ( 0.000 0.000 0.000) 0.000 8.338 ( 0.000 0.000 0.000) 0.000 8.409 ( 0.000 0.000 0.000) 0.000 8.466 ( 0.000 0.000 0.000) 0.000 8.488 ( 0.000 0.000 0.000) 0.000 8.505 ( 0.000 0.000 0.000) 0.000 8.679 ( 0.000 0.000 0.000) 0.000 8.761 ( 0.000 0.000 0.000) 0.000 8.836 ( 0.000 0.000 0.000) 0.000 8.901 ( 0.000 0.000 0.000) 0.000 8.993 ( 0.000 0.000 0.000) 0.000 9.001 ( 0.000 0.000 0.000) 0.000 9.052 ( 0.000 0.000 0.000) 0.000 9.085 ( 0.000 0.000 0.000) 0.000 9.149 ( 0.000 0.000 0.000) 0.000 9.241 ( 0.000 0.000 0.000) 0.000 9.269 ( 0.000 0.000 0.000) 0.000 9.371 ( 0.000 0.000 0.000) 0.000 9.467 ( 0.000 0.000 0.000) 0.000 9.481 ( 0.000 0.000 0.000) 0.000 9.640 ( 0.000 0.000 0.000) 0.000 9.762 ( 0.000 0.000 0.000) 0.000 9.820 ( 0.000 0.000 0.000) 0.000 9.992 ( 0.000 0.000 0.000) 0.000 10.099 ( 0.000 0.000 0.000) 0.000 10.099 ( 0.000 0.000 0.000) 0.000 10.319 ( 0.000 0.000 0.000) 0.000 10.417 ( 0.000 0.000 0.000) 0.000 10.758 ( 0.000 0.000 0.000) 0.000 10.772 ( 0.000 0.000 0.000) 0.000 10.933 ( 0.000 0.000 0.000) 0.000 10.973 ( 0.000 0.000 0.000) 0.000 11.005 ( 0.000 0.000 0.000) 0.000 11.166 ( 0.000 0.000 0.000) 0.000 11.166 ( 0.000 0.000 0.000) 0.000 11.186 ( 0.000 0.000 0.000) 0.000 11.414 ( 0.000 0.000 0.000) 0.000 11.444 ( 0.000 0.000 0.000) 0.000 11.614 ( 0.000 0.000 0.000) 0.000 11.703 ( 0.000 0.000 0.000) 0.000 11.761 ( 0.000 0.000 0.000) 0.000 11.932 ( 0.000 0.000 0.000) 0.000 11.951 ( 0.000 0.000 0.000) 0.000 12.079 ( 0.000 0.000 0.000) 0.000 12.140 ( 0.000 0.000 0.000) 0.000 12.173 ( 0.000 0.000 0.000) 0.000 12.252 ( 0.000 0.000 0.000) 0.000 12.799 ( 0.000 0.000 0.000) 0.000 12.906 ( 0.000 0.000 0.000) 0.000 12.977 ( 0.000 0.000 0.000) 0.000 12.986 ( 0.000 0.000 0.000) 0.000 13.175 ( 0.000 0.000 0.000) 0.000 13.363 ( 0.000 0.000 0.000) 0.000 13.403 ( 0.000 0.000 0.000) 0.000 13.485 ( 0.000 0.000 0.000) 0.000 13.575 ( 0.000 0.000 0.000) 0.000 14.259 ( 0.000 0.000 0.000) 0.000 14.322 ( 0.000 0.000 0.000) 0.000 14.410 ( 0.000 0.000 0.000) 0.000 14.816 ( 0.000 0.000 0.000) 0.000 14.860 ( 0.000 0.000 0.000) 0.000 14.884 ( 0.000 0.000 0.000) 0.000 14.981 ( 0.000 0.000 0.000) 0.000 15.666 ( 0.000 0.000 0.000) 0.000 15.754 ( 0.000 0.000 0.000) 0.000 15.917 ( 0.000 0.000 0.000) 0.000 15.949 ( 0.000 0.000 0.000) 0.000 15.959 ( 0.000 0.000 0.000) 0.000 19.949 ( 0.000 0.000 0.000) 0.000 20.020 ( 0.000 0.000 0.000) 0.000 20.060 ( 0.000 0.000 0.000) 0.000 20.098 ( 0.000 0.000 0.000) 0.000 20.824 ( 0.000 0.000 0.000) 0.000 20.934 ( 0.000 0.000 0.000) 0.000 21.056 ( 0.000 0.000 0.000) 0.000 21.161 ( 0.000 0.000 0.000) 0.000 21.292 ( 0.000 0.000 0.000) 0.000 21.362 ( 0.000 0.000 0.000) 0.000 21.677 ( 0.000 0.000 0.000) 0.000 21.740 ( 0.000 0.000 0.000) 0.000 21.784 ( 0.000 0.000 0.000) 0.000 21.894 ( 0.000 0.000 0.000) 0.000 22.423 ( 0.000 0.000 0.000) 0.000 22.562 ( 0.000 0.000 0.000) 0.000 22.804 ( 0.000 0.000 0.000) 0.000 22.953 ( 0.000 0.000 0.000) 0.000 22.989 ( 0.000 0.000 0.000) 0.000 23.099 ( 0.000 0.000 0.000) 0.000 23.144 ( 0.000 0.000 0.000) 0.000 23.627 ( 0.000 0.000 0.000) 0.000 23.964 ( 0.000 0.000 0.000) 0.000 24.799 ( 0.000 0.000 0.000) 0.000 26.139 ( 0.000 0.000 0.000) 0.000 26.144 ( 0.000 0.000 0.000) 0.000 26.173 ( 0.000 0.000 0.000) 0.000 26.180 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/54) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 31.523 0.000 -0.741) 31.532 0.669 ( 33.288 0.000 9.224) 34.543 1.160 ( 55.498 0.000 14.748) 57.424 1.827 ( -4.881 0.000 -15.803) 16.540 2.090 ( -2.557 0.000 2.742) 3.749 2.095 ( 2.101 0.000 3.806) 4.347 2.298 ( 5.242 0.000 0.838) 5.308 2.382 ( 8.438 0.000 -1.147) 8.516 2.391 ( 5.354 0.000 -6.213) 8.202 2.415 ( 1.232 0.000 -1.660) 2.068 2.536 ( 3.234 0.000 0.871) 3.350 2.575 ( -0.781 0.000 0.368) 0.863 2.660 ( -1.228 0.000 2.461) 2.750 2.696 ( 2.708 0.000 1.639) 3.165 2.728 ( 1.141 0.000 -0.690) 1.333 2.807 ( 4.315 0.000 1.398) 4.536 2.862 ( 4.146 0.000 -3.107) 5.181 2.870 ( -3.055 0.000 -3.464) 4.619 2.960 ( 3.476 0.000 4.797) 5.924 3.023 ( 1.499 0.000 0.351) 1.540 3.108 ( 4.111 0.000 -2.841) 4.998 3.112 ( -2.254 0.000 -1.107) 2.511 3.169 ( -0.337 0.000 -2.370) 2.393 3.241 ( 6.671 0.000 4.483) 8.037 3.278 ( 0.945 0.000 2.731) 2.890 3.373 ( -5.808 0.000 0.786) 5.861 3.398 ( -7.368 0.000 0.048) 7.368 3.444 ( -1.508 0.000 3.250) 3.582 3.632 ( 0.704 0.000 1.180) 1.374 3.658 ( -6.784 0.000 -2.515) 7.236 3.711 ( -0.065 0.000 -2.579) 2.580 3.729 ( -2.341 0.000 -3.673) 4.356 3.758 ( 3.447 0.000 -0.354) 3.465 3.881 ( 4.553 0.000 4.092) 6.122 3.922 ( 2.396 0.000 -3.797) 4.490 4.133 ( 0.202 0.000 -1.028) 1.047 4.164 ( 4.504 0.000 -3.982) 6.012 4.243 ( 1.071 0.000 1.859) 2.145 4.412 ( -10.447 0.000 -0.849) 10.482 4.413 ( 3.137 0.000 -1.523) 3.488 4.501 ( 2.588 0.000 -0.835) 2.720 4.555 ( 3.382 0.000 5.093) 6.114 4.605 ( 4.171 0.000 1.365) 4.389 4.708 ( 0.412 0.000 -1.091) 1.166 4.815 ( -7.832 0.000 -4.265) 8.918 4.865 ( -2.113 0.000 0.106) 2.116 4.915 ( -6.108 0.000 -2.229) 6.502 4.941 ( -2.640 0.000 -1.013) 2.827 5.022 ( -8.417 0.000 6.749) 10.789 5.108 ( -4.666 0.000 -2.931) 5.511 5.110 ( 5.686 0.000 -0.966) 5.767 5.172 ( -6.781 0.000 -2.337) 7.173 5.183 ( 4.413 0.000 4.439) 6.259 5.355 ( 2.132 0.000 -6.319) 6.669 5.362 ( 0.374 0.000 4.645) 4.660 5.381 ( 3.319 0.000 0.086) 3.320 5.514 ( -2.014 0.000 -1.107) 2.298 5.519 ( 0.877 0.000 -4.191) 4.282 5.696 ( 7.293 0.000 -17.052) 18.546 5.717 ( 1.738 0.000 6.503) 6.731 5.794 ( -3.413 0.000 2.791) 4.409 5.843 ( -5.296 0.000 -2.720) 5.954 5.976 ( -7.662 0.000 6.778) 10.230 6.032 ( -4.110 0.000 -7.233) 8.319 6.182 ( -6.998 0.000 2.914) 7.580 6.186 ( -8.875 0.000 9.840) 13.251 6.199 ( -2.857 0.000 2.541) 3.823 6.379 ( -10.330 0.000 1.189) 10.398 6.555 ( -3.927 0.000 6.846) 7.892 6.559 ( -2.697 0.000 1.181) 2.944 6.659 ( -2.739 0.000 -1.119) 2.959 6.727 ( -0.959 0.000 -1.322) 1.634 6.900 ( 5.975 0.000 -3.140) 6.750 7.042 ( 1.253 0.000 3.623) 3.834 7.044 ( 2.841 0.000 -10.617) 10.990 7.168 ( -0.515 0.000 -3.309) 3.349 7.225 ( -5.025 0.000 -2.635) 5.674 7.242 ( -0.900 0.000 8.759) 8.805 7.360 ( -0.526 0.000 -3.170) 3.214 7.445 ( 0.272 0.000 3.327) 3.338 7.633 ( 7.692 0.000 -1.071) 7.767 7.701 ( -0.353 0.000 6.914) 6.923 7.790 ( -1.449 0.000 2.149) 2.592 7.978 ( -4.590 0.000 3.194) 5.591 8.299 ( -2.467 0.000 -0.689) 2.562 8.347 ( -0.239 0.000 -0.975) 1.004 8.454 ( 7.831 0.000 -6.942) 10.465 8.525 ( 2.988 0.000 0.617) 3.051 8.543 ( 6.725 0.000 -2.523) 7.183 8.647 ( -0.629 0.000 4.924) 4.964 8.723 ( -1.405 0.000 -3.652) 3.913 8.766 ( 4.393 0.000 -0.490) 4.420 8.946 ( 2.735 0.000 4.576) 5.331 8.948 ( -0.258 0.000 -1.262) 1.288 8.985 ( 0.853 0.000 -1.588) 1.803 9.040 ( 0.359 0.000 2.366) 2.394 9.094 ( -0.729 0.000 -2.227) 2.343 9.143 ( -2.393 0.000 -2.386) 3.379 9.178 ( 0.835 0.000 3.262) 3.367 9.304 ( 4.299 0.000 -0.543) 4.333 9.313 ( -4.530 0.000 -2.912) 5.386 9.407 ( 3.416 0.000 -9.052) 9.675 9.480 ( 0.894 0.000 -3.571) 3.681 9.653 ( 0.223 0.000 3.703) 3.709 9.684 ( -6.971 0.000 6.980) 9.865 9.823 ( 2.579 0.000 -6.749) 7.225 9.971 ( -2.623 0.000 1.423) 2.984 10.068 ( -1.522 0.000 -2.880) 3.258 10.084 ( -2.022 0.000 1.602) 2.580 10.208 ( 12.616 0.000 5.626) 13.814 10.272 ( -4.502 0.000 -1.500) 4.745 10.423 ( -1.465 0.000 -0.142) 1.472 10.657 ( -7.682 0.000 -2.321) 8.025 10.701 ( -7.892 0.000 -0.180) 7.894 10.914 ( -1.870 0.000 -2.339) 2.995 10.997 ( -8.976 0.000 3.615) 9.677 11.118 ( 1.413 0.000 3.062) 3.373 11.140 ( 3.668 0.000 -4.068) 5.477 11.219 ( -0.839 0.000 -9.332) 9.370 11.415 ( 5.983 0.000 2.939) 6.666 11.572 ( 11.227 0.000 1.251) 11.296 11.672 ( 7.506 0.000 6.760) 10.101 11.762 ( -5.992 0.000 -6.555) 8.881 11.808 ( 9.078 0.000 0.315) 9.083 11.899 ( 10.510 0.000 -2.892) 10.901 12.043 ( -2.002 0.000 -4.411) 4.844 12.088 ( 11.070 0.000 5.705) 12.454 12.148 ( 3.216 0.000 -3.767) 4.953 12.233 ( 4.604 0.000 7.451) 8.759 12.454 ( 10.115 0.000 8.989) 13.532 12.776 ( -1.906 0.000 5.110) 5.454 12.905 ( 2.867 0.000 -3.152) 4.261 12.959 ( 1.966 0.000 -11.392) 11.560 13.038 ( 0.923 0.000 -9.668) 9.712 13.126 ( 5.336 0.000 -6.102) 8.106 13.338 ( 2.125 0.000 1.462) 2.579 13.448 ( -2.984 0.000 6.843) 7.465 13.468 ( 4.414 0.000 -0.976) 4.520 13.723 ( 9.245 0.000 5.481) 10.747 14.193 ( -6.217 0.000 -1.272) 6.346 14.302 ( -2.721 0.000 0.516) 2.770 14.306 ( 8.262 0.000 -17.617) 19.459 14.623 ( 0.850 0.000 -22.840) 22.856 14.784 ( -6.358 0.000 1.910) 6.638 14.842 ( 1.721 0.000 -6.714) 6.932 14.960 ( -8.664 0.000 25.188) 26.637 14.987 ( 0.210 0.000 1.471) 1.486 15.638 ( -3.079 0.000 -0.638) 3.145 15.706 ( -5.431 0.000 1.574) 5.654 15.854 ( -7.058 0.000 0.774) 7.101 15.881 ( -6.508 0.000 -1.380) 6.653 15.891 ( -7.031 0.000 0.013) 7.031 20.060 ( 3.985 0.000 0.449) 4.010 20.086 ( 2.853 0.000 -0.534) 2.902 20.126 ( 2.801 0.000 0.341) 2.822 20.559 ( 19.041 0.000 -51.935) 55.315 20.837 ( 1.943 0.000 -1.570) 2.498 20.944 ( 1.192 0.000 -0.173) 1.204 21.074 ( 2.121 0.000 -1.534) 2.618 21.155 ( -0.711 0.000 0.401) 0.816 21.248 ( -2.940 0.000 -0.094) 2.941 21.433 ( 5.512 0.000 -0.677) 5.553 21.668 ( -1.239 0.000 0.836) 1.494 21.724 ( -1.553 0.000 -0.331) 1.588 21.828 ( 4.210 0.000 1.977) 4.651 21.895 ( 0.815 0.000 -0.419) 0.916 22.582 ( 0.931 0.000 2.978) 3.120 22.803 ( -14.097 0.000 26.525) 30.039 22.843 ( 3.157 0.000 1.482) 3.487 22.948 ( -2.268 0.000 5.151) 5.628 23.002 ( -8.521 0.000 16.443) 18.520 23.085 ( -5.489 0.000 -0.767) 5.543 23.150 ( 4.687 0.000 -1.650) 4.969 23.655 ( -14.805 0.000 29.144) 32.689 23.900 ( -6.025 0.000 -0.987) 6.105 24.701 ( -10.151 0.000 -0.984) 10.198 26.161 ( 2.167 0.000 -0.027) 2.167 26.202 ( 3.030 0.000 -0.379) 3.053 26.213 ( 3.183 0.000 0.541) 3.229 26.583 ( 2.966 0.000 -10.777) 11.178 ======================= Grid point 2 (3/54) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 30.008 0.000 -0.408) 30.010 1.318 ( 31.297 0.000 9.268) 32.641 1.664 ( -0.736 0.000 -15.673) 15.690 2.008 ( 13.908 0.000 10.709) 17.553 2.032 ( -4.375 0.000 -0.937) 4.474 2.235 ( 17.035 0.000 3.606) 17.413 2.401 ( 4.246 0.000 3.017) 5.209 2.402 ( 2.166 0.000 -2.492) 3.302 2.494 ( 7.829 0.000 -9.783) 12.530 2.502 ( 9.519 0.000 -8.252) 12.598 2.650 ( 2.082 0.000 5.180) 5.583 2.651 ( 3.439 0.000 -2.754) 4.406 2.669 ( 2.846 0.000 1.962) 3.457 2.680 ( 2.122 0.000 -2.163) 3.030 2.768 ( 5.582 0.000 0.939) 5.660 2.824 ( -3.146 0.000 -2.858) 4.250 2.880 ( 5.057 0.000 6.435) 8.184 2.917 ( -6.350 0.000 -3.429) 7.216 2.951 ( -1.211 0.000 -4.348) 4.514 2.964 ( -0.001 0.000 1.529) 1.529 3.073 ( -0.421 0.000 -0.976) 1.063 3.180 ( -3.734 0.000 3.498) 5.117 3.236 ( 6.680 0.000 7.203) 9.824 3.261 ( -2.532 0.000 5.899) 6.419 3.274 ( -1.205 0.000 -0.567) 1.332 3.317 ( -0.853 0.000 -0.618) 1.053 3.383 ( -0.774 0.000 2.849) 2.952 3.481 ( 5.684 0.000 2.885) 6.375 3.510 ( -1.743 0.000 -6.724) 6.946 3.653 ( -0.200 0.000 -4.757) 4.761 3.706 ( 1.388 0.000 -3.748) 3.997 3.710 ( 1.906 0.000 1.257) 2.283 3.790 ( 0.507 0.000 1.876) 1.943 3.930 ( 1.988 0.000 -5.732) 6.067 4.042 ( 5.847 0.000 -3.705) 6.922 4.096 ( 0.172 0.000 2.339) 2.345 4.219 ( 4.768 0.000 -6.227) 7.843 4.297 ( 2.750 0.000 4.811) 5.541 4.308 ( 2.668 0.000 6.436) 6.968 4.419 ( -10.018 0.000 -1.896) 10.196 4.438 ( -7.231 0.000 1.838) 7.461 4.541 ( 1.540 0.000 -3.427) 3.757 4.639 ( -13.092 0.000 2.565) 13.341 4.658 ( 1.697 0.000 -0.053) 1.698 4.762 ( 4.027 0.000 1.148) 4.188 4.808 ( -4.011 0.000 2.092) 4.524 4.861 ( -1.901 0.000 7.449) 7.688 4.945 ( 2.750 0.000 -0.178) 2.756 5.000 ( -4.913 0.000 -3.231) 5.880 5.030 ( -2.360 0.000 -2.900) 3.739 5.056 ( 6.500 0.000 -3.773) 7.515 5.205 ( 2.432 0.000 1.894) 3.083 5.249 ( -5.279 0.000 2.595) 5.883 5.254 ( -13.045 0.000 -7.338) 14.968 5.359 ( 0.045 0.000 -3.152) 3.152 5.370 ( 5.266 0.000 -1.099) 5.380 5.517 ( 4.952 0.000 2.526) 5.559 5.522 ( 0.661 0.000 -2.560) 2.644 5.651 ( -4.514 0.000 -0.922) 4.607 5.694 ( 1.436 0.000 -0.203) 1.451 5.767 ( -5.103 0.000 -11.628) 12.698 5.859 ( -2.146 0.000 4.268) 4.777 5.891 ( -2.410 0.000 -3.514) 4.261 5.905 ( 0.510 0.000 2.898) 2.943 6.018 ( -9.539 0.000 -2.581) 9.882 6.031 ( -8.832 0.000 0.889) 8.877 6.145 ( -5.634 0.000 2.838) 6.308 6.183 ( -12.055 0.000 4.828) 12.986 6.472 ( -7.839 0.000 2.948) 8.375 6.529 ( -4.725 0.000 10.569) 11.577 6.629 ( -0.988 0.000 -1.483) 1.782 6.721 ( 1.514 0.000 -3.139) 3.485 6.942 ( 0.720 0.000 -1.655) 1.805 6.998 ( -0.245 0.000 -6.422) 6.427 7.104 ( 1.821 0.000 1.728) 2.511 7.132 ( -1.056 0.000 -3.878) 4.019 7.212 ( 4.118 0.000 0.334) 4.132 7.266 ( -3.324 0.000 7.262) 7.986 7.307 ( -0.215 0.000 -1.249) 1.267 7.535 ( 3.892 0.000 2.654) 4.710 7.695 ( -0.152 0.000 -1.509) 1.517 7.695 ( -3.089 0.000 2.521) 3.987 7.779 ( -0.532 0.000 1.957) 2.028 7.923 ( -3.379 0.000 1.869) 3.861 8.269 ( -1.395 0.000 2.640) 2.986 8.332 ( 0.598 0.000 -1.634) 1.740 8.536 ( 0.312 0.000 1.304) 1.341 8.576 ( 5.386 0.000 -5.866) 7.963 8.606 ( 1.780 0.000 0.969) 2.027 8.700 ( 1.977 0.000 -4.082) 4.536 8.714 ( 2.992 0.000 1.103) 3.189 8.784 ( 0.003 0.000 -5.685) 5.685 8.889 ( -8.365 0.000 -2.801) 8.821 8.975 ( 5.017 0.000 -2.841) 5.766 9.049 ( 3.954 0.000 6.208) 7.360 9.052 ( 4.553 0.000 4.214) 6.204 9.102 ( -4.120 0.000 -1.099) 4.264 9.146 ( 3.255 0.000 -0.835) 3.360 9.164 ( -2.295 0.000 0.450) 2.339 9.304 ( 6.165 0.000 -0.838) 6.222 9.351 ( 1.535 0.000 -0.656) 1.669 9.456 ( -0.028 0.000 -5.964) 5.964 9.492 ( 9.466 0.000 -3.386) 10.053 9.609 ( -5.830 0.000 2.502) 6.344 9.705 ( 3.104 0.000 2.518) 3.997 9.833 ( 2.126 0.000 -1.739) 2.746 9.914 ( -4.713 0.000 0.841) 4.788 10.033 ( 0.993 0.000 -5.134) 5.229 10.033 ( -5.160 0.000 1.869) 5.488 10.164 ( -4.820 0.000 -2.209) 5.302 10.313 ( -6.106 0.000 2.926) 6.771 10.502 ( -12.156 0.000 -0.307) 12.160 10.554 ( 13.561 0.000 7.620) 15.555 10.562 ( -2.342 0.000 4.148) 4.763 10.846 ( -2.908 0.000 -2.430) 3.790 10.919 ( -1.472 0.000 0.423) 1.532 11.070 ( -4.882 0.000 -4.451) 6.607 11.160 ( 0.835 0.000 -5.971) 6.029 11.217 ( 4.591 0.000 -0.055) 4.592 11.430 ( -4.538 0.000 -3.981) 6.037 11.705 ( 2.971 0.000 1.655) 3.401 11.787 ( 10.529 0.000 0.346) 10.534 11.909 ( 11.226 0.000 3.717) 11.825 11.978 ( 7.069 0.000 5.638) 9.042 12.038 ( 2.008 0.000 0.468) 2.062 12.072 ( 9.125 0.000 -5.649) 10.732 12.198 ( 5.584 0.000 -1.153) 5.701 12.306 ( -0.150 0.000 2.557) 2.562 12.365 ( 10.575 0.000 6.121) 12.219 12.598 ( -2.025 0.000 2.245) 3.023 12.804 ( -0.266 0.000 -1.510) 1.533 12.939 ( 4.637 0.000 -0.796) 4.705 12.956 ( 5.326 0.000 -6.433) 8.351 13.019 ( 11.502 0.000 -2.209) 11.713 13.247 ( 7.403 0.000 -6.933) 10.143 13.448 ( 5.265 0.000 -1.456) 5.463 13.489 ( 2.906 0.000 6.616) 7.226 13.545 ( 6.880 0.000 1.617) 7.068 13.924 ( 7.622 0.000 7.417) 10.635 14.039 ( -10.685 0.000 3.077) 11.120 14.232 ( -3.569 0.000 -3.559) 5.040 14.345 ( 3.755 0.000 -5.957) 7.042 14.445 ( -10.225 0.000 -6.048) 11.880 14.657 ( -5.195 0.000 -5.386) 7.483 14.801 ( -1.897 0.000 -3.817) 4.263 14.968 ( -2.980 0.000 8.986) 9.467 15.010 ( 1.255 0.000 2.141) 2.482 15.522 ( -9.328 0.000 -2.533) 9.666 15.606 ( -5.812 0.000 1.607) 6.030 15.704 ( -9.346 0.000 1.805) 9.518 15.723 ( -8.809 0.000 -1.446) 8.927 15.757 ( -6.098 0.000 0.097) 6.098 20.146 ( 3.932 0.000 -0.720) 3.997 20.154 ( 5.108 0.000 0.850) 5.179 20.192 ( 3.712 0.000 0.588) 3.758 20.565 ( 7.524 0.000 -20.510) 21.847 20.872 ( 3.333 0.000 -2.642) 4.253 20.978 ( 2.764 0.000 -0.087) 2.766 21.098 ( 0.675 0.000 -0.729) 0.994 21.146 ( -0.126 0.000 -0.085) 0.152 21.196 ( -2.420 0.000 -1.128) 2.670 21.497 ( 0.808 0.000 0.082) 0.812 21.647 ( -1.660 0.000 1.100) 1.991 21.688 ( -1.710 0.000 -0.594) 1.811 21.955 ( 7.230 0.000 -1.111) 7.315 21.963 ( 8.541 0.000 3.544) 9.247 22.607 ( -2.850 0.000 5.090) 5.834 22.671 ( -11.342 0.000 4.275) 12.121 22.874 ( -1.751 0.000 0.484) 1.817 22.943 ( -3.533 0.000 9.401) 10.043 22.962 ( -2.210 0.000 1.438) 2.636 23.014 ( 0.297 0.000 -0.259) 0.394 23.231 ( 7.534 0.000 -7.685) 10.762 23.553 ( -14.092 0.000 21.507) 25.712 23.783 ( -4.424 0.000 -0.290) 4.434 24.442 ( -16.090 0.000 -2.680) 16.312 26.205 ( 2.396 0.000 -0.097) 2.398 26.264 ( 3.583 0.000 -0.154) 3.587 26.290 ( 4.386 0.000 0.905) 4.479 26.559 ( -0.073 0.000 -4.598) 4.599 ======================= Grid point 3 (4/54) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 1.706 0.000 -6.919) 7.126 1.628 ( 25.142 0.000 -1.065) 25.164 1.875 ( 12.455 0.000 7.560) 14.570 1.985 ( -14.147 0.000 4.865) 14.961 1.988 ( 11.792 0.000 -0.722) 11.814 2.368 ( -1.515 0.000 -2.120) 2.606 2.454 ( 0.946 0.000 3.367) 3.498 2.468 ( -15.728 0.000 -7.659) 17.494 2.485 ( -2.829 0.000 0.914) 2.973 2.583 ( 9.635 0.000 -9.032) 13.206 2.622 ( 5.249 0.000 -1.556) 5.475 2.640 ( 5.127 0.000 -3.898) 6.441 2.658 ( -0.181 0.000 0.445) 0.480 2.728 ( -4.162 0.000 2.116) 4.669 2.800 ( 0.734 0.000 0.416) 0.844 2.821 ( -0.182 0.000 0.210) 0.278 2.868 ( -0.638 0.000 1.310) 1.457 2.907 ( 1.863 0.000 1.003) 2.116 2.966 ( 0.768 0.000 -1.564) 1.742 3.055 ( 1.380 0.000 0.363) 1.427 3.104 ( -3.216 0.000 1.455) 3.530 3.166 ( -3.465 0.000 1.857) 3.931 3.218 ( -4.318 0.000 0.479) 4.345 3.255 ( -2.299 0.000 -3.323) 4.041 3.343 ( 6.302 0.000 7.805) 10.031 3.376 ( 3.495 0.000 6.287) 7.193 3.487 ( -1.065 0.000 -1.703) 2.008 3.512 ( 19.917 0.000 2.566) 20.081 3.527 ( -6.148 0.000 -7.292) 9.537 3.673 ( -0.963 0.000 -0.256) 0.997 3.706 ( 17.443 0.000 -0.124) 17.443 3.872 ( 3.479 0.000 0.836) 3.578 3.874 ( 4.146 0.000 1.476) 4.401 3.912 ( 7.952 0.000 1.904) 8.177 4.047 ( 0.872 0.000 -1.904) 2.095 4.098 ( -17.200 0.000 0.039) 17.200 4.155 ( 1.408 0.000 -0.203) 1.423 4.252 ( 1.253 0.000 -3.655) 3.864 4.330 ( -19.549 0.000 1.147) 19.582 4.404 ( 1.834 0.000 2.368) 2.995 4.414 ( 0.580 0.000 1.554) 1.659 4.472 ( 6.139 0.000 1.984) 6.452 4.626 ( 9.410 0.000 -0.478) 9.422 4.709 ( -17.019 0.000 -6.243) 18.128 4.728 ( 2.107 0.000 2.550) 3.308 4.765 ( 2.096 0.000 4.093) 4.598 4.842 ( 0.397 0.000 -5.635) 5.649 4.847 ( -5.171 0.000 -4.146) 6.628 4.929 ( 0.938 0.000 1.391) 1.677 4.975 ( 0.333 0.000 1.974) 2.002 5.033 ( 0.160 0.000 0.112) 0.196 5.055 ( -16.130 0.000 2.663) 16.349 5.215 ( -1.214 0.000 1.554) 1.973 5.331 ( 11.140 0.000 -3.112) 11.567 5.386 ( 4.402 0.000 -1.959) 4.818 5.427 ( 0.508 0.000 -4.581) 4.609 5.535 ( 4.201 0.000 -2.847) 5.075 5.553 ( -2.229 0.000 -6.526) 6.896 5.635 ( 0.416 0.000 2.215) 2.254 5.652 ( -5.009 0.000 2.787) 5.732 5.695 ( -0.653 0.000 6.100) 6.135 5.726 ( -5.276 0.000 -0.650) 5.316 5.890 ( -1.374 0.000 -1.882) 2.330 5.906 ( 0.238 0.000 1.702) 1.719 5.913 ( -1.026 0.000 -0.303) 1.070 5.994 ( 3.621 0.000 -5.702) 6.755 6.037 ( -5.676 0.000 2.714) 6.292 6.044 ( -6.267 0.000 2.577) 6.776 6.361 ( -4.767 0.000 2.344) 5.312 6.511 ( -3.564 0.000 6.816) 7.692 6.593 ( -0.481 0.000 -2.987) 3.025 6.728 ( 0.745 0.000 -1.458) 1.637 6.938 ( -0.051 0.000 -0.476) 0.478 6.977 ( 0.362 0.000 -1.447) 1.491 7.097 ( -0.234 0.000 -2.132) 2.145 7.128 ( 0.664 0.000 -0.039) 0.665 7.244 ( -1.904 0.000 2.836) 3.416 7.293 ( 2.413 0.000 1.311) 2.746 7.308 ( -0.053 0.000 0.031) 0.061 7.595 ( 2.105 0.000 -0.535) 2.172 7.651 ( -2.512 0.000 1.493) 2.922 7.665 ( -1.104 0.000 -0.457) 1.195 7.777 ( -0.764 0.000 1.120) 1.356 7.877 ( -1.609 0.000 -0.701) 1.755 8.271 ( -0.301 0.000 1.458) 1.489 8.365 ( 2.881 0.000 -0.307) 2.898 8.501 ( -3.256 0.000 1.405) 3.546 8.617 ( 1.183 0.000 -2.006) 2.329 8.636 ( 0.895 0.000 0.142) 0.907 8.714 ( 1.613 0.000 -3.707) 4.042 8.717 ( -0.868 0.000 -0.460) 0.982 8.788 ( -1.764 0.000 0.450) 1.820 8.791 ( 1.765 0.000 -0.946) 2.002 9.002 ( 0.288 0.000 -1.188) 1.223 9.021 ( -1.557 0.000 -1.967) 2.509 9.124 ( -0.489 0.000 3.613) 3.646 9.159 ( 2.673 0.000 4.388) 5.137 9.190 ( 1.017 0.000 -0.023) 1.018 9.190 ( 4.221 0.000 -1.814) 4.595 9.347 ( -1.312 0.000 -0.304) 1.347 9.403 ( 0.107 0.000 2.084) 2.087 9.427 ( 3.867 0.000 -6.482) 7.547 9.516 ( -2.285 0.000 -0.691) 2.387 9.670 ( 8.107 0.000 -0.252) 8.111 9.767 ( 2.584 0.000 -0.664) 2.668 9.828 ( -4.415 0.000 0.814) 4.490 9.865 ( 0.923 0.000 1.316) 1.607 9.955 ( -3.390 0.000 2.113) 3.994 10.038 ( 2.549 0.000 -3.455) 4.293 10.094 ( -1.626 0.000 -1.075) 1.949 10.161 ( -9.096 0.000 -1.195) 9.174 10.340 ( -4.888 0.000 1.623) 5.151 10.608 ( 2.434 0.000 4.677) 5.272 10.786 ( -2.195 0.000 -1.767) 2.818 10.803 ( 4.415 0.000 10.987) 11.841 10.921 ( 2.916 0.000 -6.661) 7.271 10.952 ( -3.407 0.000 -3.603) 4.958 11.176 ( 3.771 0.000 -3.677) 5.267 11.275 ( 1.584 0.000 0.228) 1.601 11.307 ( -5.281 0.000 -0.385) 5.295 11.800 ( 3.549 0.000 2.978) 4.633 11.912 ( 3.273 0.000 -0.215) 3.280 12.029 ( 1.860 0.000 1.112) 2.167 12.051 ( -1.035 0.000 -0.529) 1.163 12.171 ( 5.401 0.000 -2.284) 5.864 12.179 ( 9.554 0.000 2.566) 9.892 12.278 ( 0.595 0.000 2.511) 2.581 12.281 ( -2.788 0.000 0.034) 2.788 12.465 ( -1.269 0.000 0.550) 1.384 12.490 ( -4.545 0.000 -3.246) 5.585 12.776 ( 1.777 0.000 -3.352) 3.794 13.085 ( 5.292 0.000 5.850) 7.888 13.134 ( 10.075 0.000 -0.716) 10.100 13.226 ( 9.907 0.000 -0.725) 9.934 13.289 ( 1.530 0.000 -2.378) 2.827 13.419 ( -3.889 0.000 -3.821) 5.452 13.574 ( 1.392 0.000 0.910) 1.663 13.775 ( 13.408 0.000 1.688) 13.513 13.884 ( -6.700 0.000 3.933) 7.769 14.078 ( 3.002 0.000 6.854) 7.482 14.150 ( -1.287 0.000 -5.676) 5.820 14.182 ( -14.034 0.000 -1.275) 14.092 14.354 ( 0.108 0.000 -1.626) 1.629 14.560 ( -1.691 0.000 -3.719) 4.085 14.763 ( -0.310 0.000 -0.734) 0.797 14.963 ( -1.454 0.000 2.418) 2.821 15.082 ( 5.586 0.000 2.792) 6.245 15.294 ( -11.389 0.000 -3.758) 11.993 15.542 ( -1.199 0.000 -0.343) 1.247 15.576 ( -5.322 0.000 1.858) 5.637 15.593 ( -3.826 0.000 -0.475) 3.855 15.687 ( -1.842 0.000 0.074) 1.843 20.199 ( 1.907 0.000 -0.448) 1.959 20.232 ( 2.295 0.000 0.625) 2.379 20.249 ( 1.774 0.000 0.373) 1.813 20.565 ( 2.044 0.000 -6.036) 6.373 20.913 ( 2.187 0.000 -1.638) 2.732 21.040 ( 3.402 0.000 0.473) 3.435 21.087 ( -1.046 0.000 0.524) 1.170 21.142 ( -2.556 0.000 -1.336) 2.884 21.151 ( 0.514 0.000 -0.512) 0.725 21.479 ( -1.584 0.000 0.307) 1.613 21.628 ( -0.777 0.000 0.511) 0.930 21.662 ( -0.755 0.000 -0.279) 0.805 22.120 ( 9.456 0.000 -1.453) 9.567 22.167 ( 10.239 0.000 3.364) 10.777 22.466 ( -10.916 0.000 -1.665) 11.043 22.501 ( -8.969 0.000 2.600) 9.339 22.901 ( 3.544 0.000 3.966) 5.318 22.938 ( -3.746 0.000 9.338) 10.061 22.944 ( 1.917 0.000 -5.899) 6.202 22.999 ( -2.367 0.000 -3.717) 4.407 23.323 ( 9.426 0.000 -12.007) 15.265 23.438 ( -11.916 0.000 16.759) 20.564 23.800 ( 5.339 0.000 2.423) 5.863 24.132 ( -13.603 0.000 -3.412) 14.024 26.237 ( 0.991 0.000 -0.072) 0.994 26.313 ( 1.517 0.000 0.034) 1.518 26.364 ( 2.530 0.000 0.700) 2.625 26.526 ( -0.875 0.000 -1.703) 1.915 ======================= Grid point 7 (5/54) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( 0.000 32.626 0.000) 32.626 0.629 ( 0.000 33.951 0.000) 33.951 1.093 ( 0.000 58.051 0.000) 58.051 1.937 ( 0.000 -2.318 0.000) 2.318 1.980 ( 0.000 -9.542 0.000) 9.542 2.038 ( 0.000 -11.859 0.000) 11.859 2.127 ( 0.000 -9.859 0.000) 9.859 2.284 ( 0.000 3.648 0.000) 3.648 2.285 ( 0.000 -0.744 0.000) 0.744 2.488 ( 0.000 3.167 0.000) 3.167 2.584 ( 0.000 -3.009 0.000) 3.009 2.592 ( 0.000 5.132 0.000) 5.132 2.646 ( 0.000 -4.814 0.000) 4.814 2.654 ( 0.000 -5.322 0.000) 5.322 2.732 ( 0.000 4.385 0.000) 4.385 2.771 ( 0.000 3.074 0.000) 3.074 2.802 ( 0.000 -3.499 0.000) 3.499 2.879 ( 0.000 7.958 0.000) 7.958 2.922 ( 0.000 -0.955 0.000) 0.955 3.021 ( 0.000 -4.713 0.000) 4.713 3.091 ( 0.000 7.746 0.000) 7.746 3.162 ( 0.000 3.136 0.000) 3.136 3.185 ( 0.000 3.240 0.000) 3.240 3.236 ( 0.000 -3.189 0.000) 3.189 3.275 ( 0.000 6.435 0.000) 6.435 3.432 ( 0.000 -2.213 0.000) 2.213 3.438 ( 0.000 0.256 0.000) 0.256 3.562 ( 0.000 -2.190 0.000) 2.190 3.566 ( 0.000 6.636 0.000) 6.636 3.631 ( 0.000 -1.910 0.000) 1.910 3.760 ( 0.000 2.637 0.000) 2.637 3.773 ( 0.000 -4.383 0.000) 4.383 3.799 ( 0.000 -0.739 0.000) 0.739 3.839 ( 0.000 -1.562 0.000) 1.562 3.917 ( 0.000 0.225 0.000) 0.225 3.979 ( 0.000 -17.457 0.000) 17.457 4.040 ( 0.000 -4.014 0.000) 4.014 4.176 ( 0.000 -9.154 0.000) 9.154 4.226 ( 0.000 -0.193 0.000) 0.193 4.440 ( 0.000 -6.946 0.000) 6.946 4.493 ( 0.000 2.621 0.000) 2.621 4.610 ( 0.000 8.294 0.000) 8.294 4.613 ( 0.000 4.089 0.000) 4.089 4.636 ( 0.000 -2.137 0.000) 2.137 4.703 ( 0.000 0.115 0.000) 0.115 4.872 ( 0.000 -1.733 0.000) 1.733 4.963 ( 0.000 -0.590 0.000) 0.590 4.979 ( 0.000 -1.420 0.000) 1.420 5.069 ( 0.000 4.039 0.000) 4.039 5.092 ( 0.000 -0.226 0.000) 0.226 5.098 ( 0.000 2.401 0.000) 2.401 5.192 ( 0.000 -0.691 0.000) 0.691 5.217 ( 0.000 4.520 0.000) 4.520 5.260 ( 0.000 0.222 0.000) 0.222 5.337 ( 0.000 -4.216 0.000) 4.216 5.361 ( 0.000 1.781 0.000) 1.781 5.506 ( 0.000 -2.430 0.000) 2.430 5.628 ( 0.000 2.580 0.000) 2.580 5.630 ( 0.000 4.672 0.000) 4.672 5.695 ( 0.000 2.116 0.000) 2.116 5.844 ( 0.000 0.956 0.000) 0.956 5.933 ( 0.000 -4.326 0.000) 4.326 6.009 ( 0.000 -11.268 0.000) 11.268 6.064 ( 0.000 -3.552 0.000) 3.552 6.082 ( 0.000 -4.047 0.000) 4.047 6.091 ( 0.000 0.528 0.000) 0.528 6.392 ( 0.000 7.239 0.000) 7.239 6.494 ( 0.000 1.388 0.000) 1.388 6.611 ( 0.000 3.976 0.000) 3.976 6.651 ( 0.000 6.347 0.000) 6.347 6.760 ( 0.000 4.600 0.000) 4.600 6.830 ( 0.000 -0.797 0.000) 0.797 6.941 ( 0.000 0.292 0.000) 0.292 7.032 ( 0.000 0.957 0.000) 0.957 7.132 ( 0.000 -3.758 0.000) 3.758 7.150 ( 0.000 -3.230 0.000) 3.230 7.188 ( 0.000 3.354 0.000) 3.354 7.347 ( 0.000 2.118 0.000) 2.118 7.383 ( 0.000 3.776 0.000) 3.776 7.479 ( 0.000 -2.418 0.000) 2.418 7.628 ( 0.000 -2.300 0.000) 2.300 7.703 ( 0.000 -1.719 0.000) 1.719 8.034 ( 0.000 2.084 0.000) 2.084 8.239 ( 0.000 -2.186 0.000) 2.186 8.266 ( 0.000 3.984 0.000) 3.984 8.334 ( 0.000 -0.280 0.000) 0.280 8.390 ( 0.000 -1.801 0.000) 1.801 8.442 ( 0.000 -1.792 0.000) 1.792 8.510 ( 0.000 1.107 0.000) 1.107 8.643 ( 0.000 -2.590 0.000) 2.590 8.696 ( 0.000 0.247 0.000) 0.247 8.805 ( 0.000 -3.957 0.000) 3.957 8.902 ( 0.000 0.122 0.000) 0.122 8.943 ( 0.000 -3.931 0.000) 3.931 9.001 ( 0.000 -1.727 0.000) 1.727 9.010 ( 0.000 0.091 0.000) 0.091 9.105 ( 0.000 -1.160 0.000) 1.160 9.158 ( 0.000 1.435 0.000) 1.435 9.184 ( 0.000 -2.720 0.000) 2.720 9.253 ( 0.000 -1.190 0.000) 1.190 9.387 ( 0.000 1.214 0.000) 1.214 9.459 ( 0.000 3.198 0.000) 3.198 9.461 ( 0.000 3.732 0.000) 3.732 9.688 ( 0.000 -5.613 0.000) 5.613 9.786 ( 0.000 11.118 0.000) 11.118 9.808 ( 0.000 4.603 0.000) 4.603 9.917 ( 0.000 5.502 0.000) 5.502 10.017 ( 0.000 2.550 0.000) 2.550 10.103 ( 0.000 0.255 0.000) 0.255 10.214 ( 0.000 5.121 0.000) 5.121 10.263 ( 0.000 -5.613 0.000) 5.613 10.360 ( 0.000 -5.339 0.000) 5.339 10.730 ( 0.000 -4.072 0.000) 4.072 10.762 ( 0.000 -0.202 0.000) 0.202 10.923 ( 0.000 -1.112 0.000) 1.112 10.990 ( 0.000 -0.405 0.000) 0.405 11.073 ( 0.000 -5.666 0.000) 5.666 11.167 ( 0.000 -2.399 0.000) 2.399 11.236 ( 0.000 6.607 0.000) 6.607 11.425 ( 0.000 2.465 0.000) 2.465 11.521 ( 0.000 6.934 0.000) 6.934 11.567 ( 0.000 -2.448 0.000) 2.448 11.705 ( 0.000 1.010 0.000) 1.010 11.725 ( 0.000 -3.696 0.000) 3.696 11.901 ( 0.000 -1.748 0.000) 1.748 11.966 ( 0.000 0.004 0.000) 0.004 12.057 ( 0.000 -2.398 0.000) 2.398 12.088 ( 0.000 -4.924 0.000) 4.924 12.156 ( 0.000 -0.930 0.000) 0.930 12.261 ( 0.000 0.247 0.000) 0.247 12.769 ( 0.000 -7.959 0.000) 7.959 12.838 ( 0.000 3.726 0.000) 3.726 12.868 ( 0.000 1.637 0.000) 1.637 12.935 ( 0.000 -4.573 0.000) 4.573 13.132 ( 0.000 -4.412 0.000) 4.412 13.211 ( 0.000 -3.210 0.000) 3.210 13.398 ( 0.000 3.559 0.000) 3.559 13.430 ( 0.000 1.949 0.000) 1.949 13.541 ( 0.000 -2.870 0.000) 2.870 13.551 ( 0.000 1.619 0.000) 1.619 14.239 ( 0.000 -0.275 0.000) 0.275 14.306 ( 0.000 -1.313 0.000) 1.313 14.545 ( 0.000 11.378 0.000) 11.378 14.862 ( 0.000 1.726 0.000) 1.726 14.890 ( 0.000 0.632 0.000) 0.632 14.928 ( 0.000 8.429 0.000) 8.429 15.178 ( 0.000 -4.363 0.000) 4.363 15.612 ( 0.000 -5.936 0.000) 5.936 15.785 ( 0.000 2.771 0.000) 2.771 15.892 ( 0.000 -1.781 0.000) 1.781 15.963 ( 0.000 -0.480 0.000) 0.480 15.964 ( 0.000 0.681 0.000) 0.681 19.961 ( 0.000 1.233 0.000) 1.233 20.031 ( 0.000 1.198 0.000) 1.198 20.080 ( 0.000 -1.864 0.000) 1.864 20.161 ( 0.000 -2.275 0.000) 2.275 20.848 ( 0.000 2.551 0.000) 2.551 20.983 ( 0.000 4.924 0.000) 4.924 21.036 ( 0.000 -2.137 0.000) 2.137 21.248 ( 0.000 9.067 0.000) 9.067 21.325 ( 0.000 -3.976 0.000) 3.976 21.702 ( 0.000 2.726 0.000) 2.726 21.743 ( 0.000 4.015 0.000) 4.015 21.749 ( 0.000 -3.792 0.000) 3.792 21.880 ( 0.000 -1.612 0.000) 1.612 22.310 ( 0.000 -10.763 0.000) 10.763 22.614 ( 0.000 4.014 0.000) 4.014 22.784 ( 0.000 -1.071 0.000) 1.071 22.923 ( 0.000 -2.578 0.000) 2.578 22.965 ( 0.000 -2.976 0.000) 2.976 23.091 ( 0.000 -0.580 0.000) 0.580 23.096 ( 0.000 -2.943 0.000) 2.943 23.268 ( 0.000 4.896 0.000) 4.896 23.566 ( 0.000 -4.749 0.000) 4.749 24.142 ( 0.000 15.779 0.000) 15.779 24.966 ( 0.000 -8.425 0.000) 8.425 26.142 ( 0.000 0.326 0.000) 0.326 26.147 ( 0.000 0.346 0.000) 0.346 26.170 ( 0.000 -0.373 0.000) 0.373 26.176 ( 0.000 -0.395 0.000) 0.395 ======================= Grid point 8 (6/54) ======================= q-point: ( 0.14 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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| 0.814 ( 21.093 22.344 -1.738) 30.777 0.893 ( 22.307 21.446 5.908) 31.503 1.559 ( 36.386 36.130 10.499) 52.341 1.800 ( -3.368 -2.865 -15.149) 15.781 2.002 ( 1.112 -7.082 0.855) 7.220 2.064 ( 0.036 -9.726 8.960) 13.224 2.202 ( 6.725 -6.056 -0.726) 9.078 2.303 ( 5.374 0.903 -2.849) 6.149 2.407 ( 4.766 0.223 0.873) 4.851 2.528 ( 6.646 0.883 -2.791) 7.262 2.555 ( -0.615 2.410 -2.239) 3.346 2.576 ( 0.951 0.501 -3.370) 3.537 2.647 ( -1.601 -0.702 4.723) 5.037 2.665 ( 2.113 -2.825 -1.200) 3.726 2.747 ( -0.575 3.662 1.135) 3.877 2.792 ( 2.626 -1.967 -0.845) 3.388 2.862 ( -1.640 1.042 -1.967) 2.765 2.872 ( 5.756 -0.921 -2.390) 6.300 2.934 ( 1.507 -0.932 6.214) 6.462 3.051 ( 0.361 -1.776 0.553) 1.895 3.081 ( 2.251 3.438 -1.714) 4.453 3.137 ( -3.384 0.902 -2.476) 4.289 3.177 ( -2.003 0.686 -2.383) 3.187 3.249 ( 2.506 -2.323 -0.022) 3.417 3.319 ( 3.233 5.684 3.673) 7.500 3.394 ( -3.717 2.862 0.772) 4.754 3.441 ( -1.807 0.173 5.627) 5.912 3.481 ( -4.019 7.496 1.892) 8.713 3.579 ( -0.326 -1.890 -0.712) 2.046 3.648 ( -3.314 -5.833 -1.956) 6.988 3.674 ( -3.733 -0.749 -1.879) 4.246 3.759 ( 0.664 4.176 -3.448) 5.456 3.825 ( 4.993 1.176 -0.930) 5.213 3.871 ( 3.243 -2.427 0.487) 4.080 3.923 ( 4.800 -0.426 -2.337) 5.356 4.035 ( 2.986 -11.993 3.728) 12.909 4.139 ( 6.026 -1.567 -3.122) 6.965 4.171 ( 0.873 -6.549 1.371) 6.748 4.299 ( 6.644 -4.408 -0.197) 7.976 4.377 ( -5.741 -2.876 0.713) 6.460 4.574 ( -0.910 3.251 0.444) 3.405 4.588 ( 1.476 4.031 3.611) 5.609 4.631 ( 1.492 4.334 -0.708) 4.638 4.710 ( 1.178 0.566 -0.635) 1.453 4.765 ( -4.782 -1.774 -3.547) 6.213 4.875 ( -0.557 -4.817 -2.215) 5.331 4.906 ( -4.812 -0.352 4.430) 6.550 4.948 ( 0.099 0.757 -3.805) 3.881 5.005 ( -4.817 -4.919 -2.581) 7.352 5.087 ( -4.591 -1.804 0.995) 5.032 5.128 ( 2.339 2.580 1.447) 3.771 5.169 ( 2.837 2.767 -0.602) 4.008 5.181 ( 1.398 -0.861 0.126) 1.647 5.273 ( 3.408 1.247 3.060) 4.746 5.309 ( 1.765 0.335 -1.895) 2.611 5.396 ( 1.018 -0.105 -1.157) 1.545 5.516 ( -3.674 -0.662 -1.621) 4.070 5.625 ( 0.089 2.829 0.049) 2.831 5.661 ( -1.796 -3.956 6.104) 7.492 5.683 ( 3.250 0.003 -5.769) 6.622 5.780 ( -3.101 2.046 -3.781) 5.301 5.889 ( -6.728 -4.146 -4.131) 8.917 5.924 ( -5.073 -2.629 5.003) 7.595 6.024 ( -4.319 -3.761 -2.538) 6.265 6.047 ( -4.972 -4.331 4.795) 8.152 6.082 ( -3.380 -3.786 0.445) 5.094 6.309 ( -7.435 4.209 -1.290) 8.641 6.437 ( -8.167 3.244 2.047) 9.023 6.593 ( -3.209 4.238 3.064) 6.136 6.635 ( -2.139 5.883 0.920) 6.327 6.694 ( -2.698 3.856 -2.051) 5.134 6.896 ( 4.439 0.957 0.070) 4.541 6.915 ( -5.824 6.387 -1.103) 8.714 7.021 ( 3.038 -0.262 0.302) 3.065 7.071 ( -0.222 0.287 -4.447) 4.462 7.191 ( 0.586 2.085 -1.345) 2.549 7.214 ( 0.231 -2.835 5.810) 6.468 7.275 ( -6.257 4.660 -1.981) 8.049 7.394 ( -4.203 2.256 -0.677) 4.818 7.446 ( 0.382 0.245 6.424) 6.440 7.630 ( -2.175 -4.218 4.820) 6.765 7.736 ( 4.273 0.835 -0.670) 4.405 7.838 ( -9.284 8.056 -6.379) 13.848 8.026 ( -6.156 3.664 3.968) 8.189 8.322 ( -0.322 1.943 0.468) 2.024 8.372 ( 0.027 2.502 -0.784) 2.622 8.406 ( 6.991 -3.128 -3.627) 8.474 8.490 ( 4.130 -1.875 0.501) 4.563 8.586 ( -2.206 -2.845 1.396) 3.862 8.627 ( 5.752 3.832 -3.772) 7.874 8.733 ( -0.020 -2.273 1.595) 2.777 8.760 ( 4.607 0.841 -3.299) 5.728 8.920 ( 1.968 -2.669 0.536) 3.359 8.941 ( -2.951 -1.218 1.480) 3.519 8.971 ( 1.394 -1.638 1.008) 2.375 9.045 ( 1.414 -2.978 1.711) 3.714 9.063 ( 2.456 0.532 -3.674) 4.451 9.108 ( -5.169 -2.674 -2.945) 6.523 9.212 ( 4.430 2.236 -1.540) 5.195 9.293 ( 1.328 1.570 -2.318) 3.099 9.349 ( -3.126 2.228 -0.588) 3.884 9.442 ( 2.010 4.591 -0.517) 5.038 9.490 ( 1.567 0.924 -3.633) 4.063 9.718 ( -4.333 5.144 2.493) 7.173 9.753 ( -6.475 6.871 4.814) 10.598 9.886 ( 1.855 3.096 -0.520) 3.647 9.894 ( 4.077 -6.475 -1.491) 7.795 10.048 ( 1.209 -0.602 -0.491) 1.437 10.082 ( -2.647 0.081 -0.915) 2.802 10.168 ( 5.710 0.259 2.052) 6.073 10.222 ( -4.014 -4.853 -0.324) 6.306 10.325 ( -3.693 -6.747 1.263) 7.795 10.666 ( -6.777 -2.564 -0.425) 7.258 10.704 ( -6.526 -1.923 1.634) 6.997 10.902 ( -7.370 -3.295 -3.975) 8.998 10.984 ( -2.112 2.128 -2.839) 4.129 11.120 ( 8.536 1.198 2.060) 8.862 11.211 ( 4.097 1.312 -1.779) 4.656 11.260 ( -0.575 7.752 -9.766) 12.482 11.425 ( 3.136 2.421 3.260) 5.131 11.609 ( 8.539 3.917 1.435) 9.503 11.662 ( 7.584 -0.441 3.450) 8.343 11.750 ( 3.947 -2.012 0.359) 4.445 11.818 ( 2.484 0.596 -3.662) 4.465 11.877 ( 7.455 -3.805 -0.927) 8.420 11.998 ( 0.176 -3.787 -5.955) 7.059 12.036 ( 5.994 -5.804 1.438) 8.466 12.106 ( 4.344 -2.980 -1.035) 5.368 12.279 ( 8.135 4.124 6.513) 11.207 12.430 ( 8.050 -2.006 8.259) 11.706 12.754 ( -1.074 -11.189 -1.704) 11.368 12.830 ( -1.547 2.660 5.623) 6.410 12.888 ( 5.016 -3.273 -11.569) 13.027 13.072 ( -2.505 -1.549 -6.301) 6.955 13.140 ( 10.366 1.588 -0.331) 10.492 13.319 ( 6.636 -3.285 1.155) 7.494 13.437 ( 0.299 1.191 2.500) 2.785 13.476 ( 0.217 -1.122 2.557) 2.801 13.706 ( 10.256 -2.791 4.043) 11.372 13.891 ( 27.810 -26.945 2.016) 38.775 14.176 ( -4.681 -0.588 -3.833) 6.078 14.275 ( -2.605 -1.959 0.743) 3.343 14.545 ( 0.597 9.021 -2.478) 9.374 14.793 ( -2.836 2.083 -6.811) 7.666 14.867 ( -3.162 5.400 -1.995) 6.568 14.955 ( -1.104 3.400 9.385) 10.043 15.162 ( -2.675 0.226 2.113) 3.416 15.578 ( -3.745 -6.318 -0.864) 7.396 15.688 ( -8.878 1.623 2.151) 9.278 15.827 ( -7.021 -1.814 0.750) 7.290 15.888 ( -7.199 -0.355 -0.138) 7.209 15.897 ( -6.918 0.432 -0.372) 6.942 20.037 ( 5.246 -2.576 -1.224) 5.971 20.065 ( 3.243 0.266 0.768) 3.343 20.112 ( 3.267 -1.239 0.042) 3.494 20.267 ( 11.595 -9.102 -7.840) 16.696 20.864 ( 1.997 2.861 -0.594) 3.539 20.997 ( 1.523 5.312 0.465) 5.545 21.054 ( 2.215 -1.984 -1.246) 3.224 21.243 ( -0.816 8.903 0.753) 8.972 21.368 ( 3.680 -3.297 1.106) 5.064 21.696 ( -1.976 3.896 0.439) 4.391 21.702 ( -2.606 4.970 -3.415) 6.569 21.786 ( 3.399 -4.410 1.778) 5.845 21.875 ( -0.776 -0.433 -1.074) 1.394 22.039 ( -11.321 21.591 -29.725) 38.444 22.495 ( -5.580 -3.532 -0.154) 6.606 22.782 ( -1.297 -0.935 0.492) 1.673 22.883 ( -0.563 -0.080 2.106) 2.181 22.906 ( -2.500 -2.647 -0.984) 3.772 23.032 ( -3.335 3.207 4.788) 6.658 23.128 ( -1.849 1.394 5.468) 5.938 23.159 ( -7.663 2.722 16.681) 18.558 23.512 ( -10.547 -9.122 13.111) 19.140 24.091 ( -7.899 14.888 4.394) 17.417 24.722 ( -15.244 -0.953 -0.762) 15.293 26.164 ( 2.165 0.317 -0.058) 2.189 26.197 ( 2.808 -0.506 -0.278) 2.867 26.213 ( 3.624 0.074 0.376) 3.645 26.403 ( 11.877 -11.675 -3.904) 17.106 ======================= Grid point 9 (7/54) ======================= q-point: ( 0.29 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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| 1.248 ( 25.798 12.375 -0.508) 28.616 1.394 ( 25.936 8.176 8.045) 28.359 1.675 ( 1.327 0.734 -13.664) 13.748 1.980 ( 0.369 -1.857 -1.565) 2.457 2.082 ( 0.785 0.409 9.076) 9.119 2.250 ( 11.382 -4.727 2.334) 12.544 2.346 ( 8.303 4.870 4.978) 10.836 2.400 ( 4.301 -2.848 -3.243) 6.093 2.443 ( 4.057 -4.228 -3.646) 6.901 2.541 ( 4.308 0.002 -11.108) 11.914 2.589 ( 4.112 -3.013 -0.214) 5.102 2.635 ( 1.138 0.342 -3.663) 3.851 2.679 ( -0.393 0.294 -2.450) 2.499 2.704 ( 1.490 2.183 2.901) 3.925 2.769 ( 7.622 1.174 -0.561) 7.732 2.803 ( -1.044 -2.325 -2.418) 3.514 2.843 ( 2.030 0.713 2.208) 3.083 2.897 ( -6.871 -0.829 -3.037) 7.559 2.990 ( 1.389 1.640 6.789) 7.121 3.040 ( -0.641 3.684 0.933) 3.854 3.071 ( 3.229 -0.909 -0.118) 3.357 3.147 ( 3.393 -2.149 2.254) 4.606 3.168 ( 5.587 -3.279 2.651) 7.000 3.268 ( -3.225 0.984 1.634) 3.746 3.334 ( -2.204 1.646 0.147) 2.755 3.382 ( -1.200 2.247 1.522) 2.968 3.447 ( 2.651 6.424 2.874) 7.521 3.485 ( 1.850 3.372 1.596) 4.164 3.533 ( -0.855 2.395 -3.100) 4.010 3.593 ( -1.060 -2.944 0.984) 3.280 3.703 ( 5.687 2.697 -3.220) 7.070 3.749 ( 0.679 3.911 -1.866) 4.386 3.870 ( 2.387 3.487 -2.450) 4.885 3.972 ( 3.336 4.053 -1.535) 5.469 4.026 ( 6.384 -1.968 -3.019) 7.331 4.107 ( 2.542 -1.010 1.457) 3.099 4.197 ( 3.729 -1.864 -4.444) 6.093 4.223 ( 6.053 -6.382 6.488) 10.929 4.333 ( 1.193 -0.083 4.487) 4.644 4.383 ( 0.180 -3.101 -1.921) 3.652 4.454 ( -11.869 2.978 2.746) 12.541 4.552 ( -6.438 -3.591 -1.140) 7.459 4.570 ( -0.431 1.172 -1.290) 1.795 4.695 ( -8.470 2.201 -0.247) 8.755 4.731 ( 1.274 -4.568 0.259) 4.750 4.781 ( -1.885 0.478 -0.049) 1.946 4.889 ( 0.596 0.384 5.189) 5.237 4.922 ( -0.928 -4.622 -1.885) 5.077 4.969 ( -5.243 0.130 -0.210) 5.249 5.045 ( 4.061 -1.428 -2.700) 5.081 5.102 ( 0.920 5.587 -0.832) 5.723 5.213 ( 3.156 1.222 1.473) 3.691 5.263 ( -6.021 3.951 -4.654) 8.575 5.309 ( -5.368 1.812 -2.172) 6.067 5.328 ( 1.361 -1.026 -0.842) 1.901 5.406 ( 2.035 0.848 -2.615) 3.421 5.458 ( 5.137 0.077 4.909) 7.106 5.565 ( -0.190 -1.617 -3.603) 3.954 5.632 ( -4.685 -1.778 -5.336) 7.320 5.662 ( -1.336 -2.615 -3.178) 4.327 5.761 ( 1.112 -2.476 -1.221) 2.976 5.805 ( -6.304 -2.959 -1.393) 7.102 5.843 ( 0.096 -2.314 2.457) 3.377 5.916 ( -4.993 0.105 0.670) 5.039 5.956 ( -6.885 -3.985 2.900) 8.467 5.989 ( -5.949 -3.094 0.406) 6.718 6.158 ( -7.841 2.152 0.828) 8.173 6.254 ( -11.091 2.471 1.186) 11.425 6.536 ( -5.816 6.662 2.921) 9.313 6.584 ( -5.277 5.351 6.618) 10.014 6.659 ( -1.002 3.125 -2.262) 3.986 6.812 ( -2.744 6.792 -1.923) 7.573 6.956 ( 1.818 1.058 -1.599) 2.642 7.029 ( -0.440 3.073 -3.539) 4.707 7.080 ( 1.424 -1.936 3.114) 3.934 7.164 ( -1.969 3.401 -2.571) 4.696 7.198 ( -0.531 -0.261 1.784) 1.879 7.267 ( 1.638 -2.289 -0.110) 2.816 7.328 ( -2.891 2.520 1.242) 4.031 7.492 ( -0.764 -4.418 6.699) 8.061 7.619 ( -1.409 -3.869 0.360) 4.133 7.717 ( -2.748 0.201 -2.564) 3.763 7.798 ( 2.362 2.010 -1.055) 3.276 7.954 ( -4.248 1.762 2.195) 5.096 8.304 ( -2.717 4.116 0.149) 4.934 8.357 ( 0.830 2.081 0.576) 2.313 8.511 ( 1.974 -1.892 2.350) 3.606 8.540 ( 4.467 -3.373 -3.970) 6.863 8.587 ( 2.298 -1.434 1.011) 2.891 8.658 ( 0.258 -2.851 -4.440) 5.283 8.780 ( 2.829 4.648 1.433) 5.627 8.803 ( -0.293 3.582 -0.159) 3.597 8.942 ( -0.536 -2.290 -3.320) 4.069 8.965 ( 2.854 0.651 -5.239) 6.002 9.005 ( 2.429 -0.920 2.985) 3.957 9.038 ( 2.288 -3.507 4.757) 6.338 9.104 ( 4.098 -3.430 -2.211) 5.783 9.125 ( 1.819 0.177 0.380) 1.866 9.215 ( -1.815 3.302 3.085) 4.870 9.251 ( -0.835 3.473 -3.123) 4.745 9.367 ( 3.787 -0.588 -2.033) 4.339 9.431 ( -0.239 0.849 -5.485) 5.555 9.558 ( 6.681 4.040 -0.325) 7.814 9.676 ( -4.009 5.141 2.806) 7.097 9.718 ( 1.940 0.617 1.318) 2.425 9.854 ( -2.252 1.531 0.132) 2.727 9.917 ( -1.710 -0.041 -0.327) 1.742 9.983 ( -5.347 -3.025 -0.954) 6.217 10.054 ( -0.730 -0.829 -3.423) 3.597 10.150 ( -0.460 -0.415 -3.435) 3.490 10.252 ( -3.094 -4.646 3.882) 6.799 10.413 ( 8.835 -7.954 8.578) 14.660 10.502 ( -9.759 -0.357 -0.196) 9.768 10.595 ( -5.252 -5.334 1.842) 7.709 10.782 ( -2.815 -2.504 -3.475) 5.125 10.907 ( -3.784 1.219 -2.097) 4.495 11.182 ( -1.369 10.083 -3.749) 10.844 11.193 ( 2.110 3.630 -6.188) 7.478 11.321 ( 6.757 6.573 1.572) 9.557 11.430 ( -3.692 1.441 -0.929) 4.071 11.718 ( 1.434 1.351 -1.375) 2.403 11.766 ( 6.563 -1.797 0.441) 6.819 11.856 ( 6.384 -7.089 3.332) 10.105 11.940 ( 4.770 -1.185 1.455) 5.126 12.004 ( 5.906 -3.881 -0.484) 7.083 12.052 ( 6.413 -1.908 1.119) 6.784 12.178 ( 11.795 -3.036 -0.944) 12.216 12.275 ( 7.749 -2.943 1.691) 8.460 12.418 ( 4.944 2.721 -0.499) 5.665 12.560 ( -1.507 -0.462 1.557) 2.215 12.700 ( 3.906 -8.950 -0.891) 9.806 12.903 ( 3.447 -4.843 9.080) 10.853 12.984 ( 0.209 3.197 -5.163) 6.076 13.035 ( 14.296 2.932 -5.067) 15.449 13.311 ( 8.113 4.083 -2.291) 9.366 13.430 ( 2.714 -2.480 -4.813) 6.056 13.438 ( 1.490 -3.306 4.062) 5.446 13.575 ( 6.194 0.478 4.846) 7.879 13.911 ( 9.461 -3.044 2.266) 10.193 13.986 ( -7.058 -4.450 -3.904) 9.212 14.114 ( -3.531 -5.632 0.925) 6.711 14.344 ( 7.007 -5.283 1.902) 8.979 14.513 ( -1.891 8.279 -4.972) 9.840 14.679 ( -5.398 2.103 -5.012) 7.661 14.793 ( -2.487 4.816 -1.634) 5.661 14.983 ( -1.731 1.936 6.735) 7.218 15.110 ( -3.389 4.608 0.668) 5.759 15.458 ( -8.480 -6.723 -2.139) 11.031 15.548 ( -7.667 -3.295 2.634) 8.751 15.669 ( -10.263 -2.654 1.310) 10.682 15.738 ( -8.218 0.448 -0.312) 8.236 15.755 ( -6.650 -0.272 -0.036) 6.656 20.117 ( 4.393 -2.129 -0.735) 4.937 20.144 ( 4.446 -1.060 0.708) 4.625 20.183 ( 3.985 -0.717 0.185) 4.053 20.387 ( 6.853 -10.821 -7.843) 15.019 20.911 ( 3.744 3.693 -1.695) 5.525 21.048 ( 3.557 6.255 1.332) 7.318 21.086 ( 1.861 -1.197 -1.428) 2.634 21.231 ( -1.007 8.986 1.030) 9.101 21.432 ( 1.566 3.449 -0.004) 3.788 21.540 ( -6.941 12.283 -8.697) 16.574 21.686 ( -1.133 4.238 0.653) 4.435 21.754 ( -3.790 7.931 -4.688) 9.962 21.907 ( 7.656 -5.725 4.006) 10.365 21.944 ( 5.293 -0.200 -2.922) 6.050 22.400 ( -8.141 -13.270 5.434) 16.489 22.719 ( -6.747 -2.796 -5.939) 9.413 22.857 ( -0.380 -0.702 0.726) 1.079 22.917 ( 1.796 -1.985 -1.836) 3.246 23.024 ( -8.395 6.420 19.652) 22.313 23.065 ( -0.252 3.695 -1.535) 4.009 23.223 ( 7.685 -0.852 -7.345) 10.664 23.431 ( -7.380 -8.625 16.193) 19.776 23.938 ( -10.177 12.137 2.925) 16.107 24.423 ( -16.917 -2.536 -2.412) 17.275 26.209 ( 2.466 0.385 -0.099) 2.498 26.256 ( 3.435 -0.818 -0.073) 3.532 26.294 ( 4.457 0.542 0.616) 4.532 26.492 ( 2.501 -6.132 -3.101) 7.313 ======================= Grid point 10 (8/54) ======================= q-point: ( 0.43 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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| 1.646 ( 2.754 4.513 -5.986) 7.987 1.696 ( 22.681 7.042 -0.379) 23.752 1.857 ( 9.299 -1.524 6.459) 11.424 1.988 ( 4.604 1.952 0.708) 5.051 2.048 ( -4.180 4.348 3.281) 6.866 2.337 ( 1.587 -7.774 -1.156) 8.018 2.347 ( -5.191 -2.769 -2.866) 6.545 2.426 ( 2.377 -7.727 0.619) 8.108 2.462 ( -15.878 -3.051 -4.413) 16.760 2.491 ( -0.248 -9.693 -0.915) 9.739 2.606 ( 4.613 0.314 -4.879) 6.722 2.640 ( 4.071 2.279 -3.255) 5.689 2.670 ( 1.086 -0.251 -3.477) 3.651 2.690 ( 1.131 -0.683 1.203) 1.787 2.782 ( -1.437 -1.507 0.096) 2.084 2.804 ( 0.873 -1.066 4.167) 4.389 2.854 ( -1.347 -2.802 -0.301) 3.124 2.875 ( 1.087 -0.531 1.398) 1.849 3.021 ( -0.483 0.689 1.085) 1.373 3.041 ( -1.465 -0.620 -0.511) 1.671 3.138 ( -3.131 4.244 -0.931) 5.355 3.187 ( 1.702 2.605 2.075) 3.740 3.239 ( -0.601 -2.577 1.966) 3.296 3.304 ( -1.891 0.755 -3.826) 4.334 3.364 ( 2.797 2.358 1.752) 4.056 3.443 ( 2.774 3.304 5.124) 6.698 3.481 ( 0.872 1.265 -2.707) 3.113 3.527 ( 6.006 4.305 2.175) 7.703 3.605 ( 7.173 7.472 0.477) 10.369 3.625 ( 4.497 1.892 -1.692) 5.164 3.762 ( 7.529 3.709 0.484) 8.407 3.846 ( 8.340 2.283 3.363) 9.277 3.916 ( -1.019 2.974 -2.058) 3.757 4.022 ( 6.480 5.332 3.041) 8.926 4.058 ( 2.618 1.236 -2.551) 3.859 4.123 ( -6.123 2.465 -1.686) 6.812 4.194 ( -3.217 1.379 1.056) 3.656 4.235 ( 0.360 2.320 -0.946) 2.531 4.337 ( -15.491 -0.071 0.885) 15.517 4.380 ( 1.701 -1.763 0.525) 2.505 4.412 ( 2.382 -2.610 0.791) 3.621 4.462 ( 3.568 -0.074 4.194) 5.507 4.581 ( -3.237 -3.488 -0.828) 4.830 4.672 ( 10.239 -4.056 4.006) 11.719 4.705 ( -2.518 -0.917 -1.620) 3.131 4.795 ( -6.638 -1.126 -5.528) 8.712 4.826 ( 0.678 1.169 -2.107) 2.503 4.885 ( -1.901 -2.475 -2.201) 3.819 4.912 ( -2.699 3.749 -0.584) 4.656 4.985 ( -0.193 0.209 0.266) 0.389 5.045 ( -8.616 -0.318 1.602) 8.769 5.083 ( -6.489 4.520 0.700) 7.939 5.240 ( -0.464 2.940 1.354) 3.270 5.348 ( 5.127 0.551 0.358) 5.169 5.378 ( 8.376 0.434 -3.184) 8.971 5.432 ( -0.460 -2.487 -3.479) 4.301 5.507 ( -3.048 -0.439 -5.010) 5.881 5.542 ( -3.257 -3.715 -0.132) 4.942 5.582 ( 3.822 -0.735 0.291) 3.903 5.637 ( -0.455 0.218 1.058) 1.172 5.704 ( -2.963 -2.680 1.287) 4.197 5.750 ( -1.322 2.299 1.556) 3.074 5.834 ( -1.506 -3.286 -2.002) 4.132 5.863 ( -0.205 -6.312 -2.105) 6.657 5.914 ( 0.266 -0.322 2.330) 2.368 5.939 ( -0.625 0.075 1.071) 1.243 6.048 ( -5.497 0.693 1.273) 5.685 6.106 ( -3.992 1.832 -0.111) 4.393 6.444 ( -4.294 8.766 1.826) 9.931 6.552 ( -2.805 4.076 5.701) 7.549 6.613 ( -1.114 2.367 -3.462) 4.339 6.780 ( -0.224 3.464 -1.015) 3.616 6.965 ( 0.359 2.987 -0.534) 3.055 7.027 ( 0.764 4.693 1.048) 4.869 7.103 ( 0.221 -0.311 -0.786) 0.873 7.122 ( -1.120 0.551 -1.564) 2.001 7.216 ( 0.761 -1.870 2.455) 3.179 7.282 ( 0.202 -3.020 0.046) 3.027 7.291 ( -1.602 -0.846 -0.516) 1.884 7.502 ( -0.951 -9.803 2.188) 10.089 7.585 ( -1.347 -2.060 -0.555) 2.523 7.687 ( -0.136 0.066 -0.575) 0.595 7.810 ( 0.132 2.872 -0.631) 2.943 7.906 ( -1.661 1.431 0.379) 2.225 8.265 ( -0.994 1.583 -0.475) 1.928 8.387 ( 0.919 2.034 0.950) 2.426 8.515 ( -0.353 0.416 1.518) 1.613 8.604 ( 1.133 -0.340 0.595) 1.324 8.628 ( 1.485 -5.125 -0.919) 5.415 8.674 ( 5.031 -2.367 -3.351) 6.491 8.768 ( -3.964 4.086 4.517) 7.267 8.797 ( -1.775 7.230 -0.926) 7.501 8.876 ( -1.079 4.157 -4.326) 6.095 8.983 ( 2.821 -1.429 -1.698) 3.589 9.051 ( -1.533 -2.249 1.158) 2.958 9.102 ( 2.113 -0.414 2.741) 3.485 9.136 ( -0.079 -3.739 -1.761) 4.134 9.152 ( 0.427 1.768 1.329) 2.253 9.232 ( 2.375 0.996 -1.493) 2.977 9.282 ( 2.124 -3.032 4.039) 5.479 9.391 ( 2.163 0.459 -4.832) 5.314 9.435 ( 1.558 3.120 -0.933) 3.610 9.586 ( -3.213 2.362 -1.299) 4.194 9.712 ( 5.553 2.233 1.788) 6.247 9.747 ( 1.212 -1.418 -1.941) 2.692 9.818 ( -2.148 1.313 2.118) 3.291 9.907 ( -1.199 -6.144 3.031) 6.955 9.921 ( 0.517 4.650 0.382) 4.695 9.983 ( -3.763 -1.690 -3.943) 5.706 10.133 ( 0.005 0.860 -2.072) 2.243 10.216 ( -1.692 5.608 -1.321) 6.005 10.362 ( -4.616 1.675 1.979) 5.295 10.528 ( 0.150 -13.142 4.786) 13.987 10.580 ( -0.365 -9.544 1.553) 9.676 10.753 ( 2.014 -4.135 -3.673) 5.886 10.851 ( -2.310 -1.481 1.767) 3.263 11.146 ( 0.313 11.228 -2.887) 11.597 11.226 ( 5.589 4.352 -4.792) 8.552 11.318 ( -6.029 3.705 1.049) 7.154 11.430 ( 1.988 9.304 2.065) 9.736 11.763 ( 2.240 -2.916 0.640) 3.732 11.841 ( 1.739 -4.838 0.178) 5.145 11.922 ( 1.041 -9.647 0.618) 9.723 11.984 ( 0.468 -8.832 -0.731) 8.875 12.105 ( 3.445 1.777 0.347) 3.891 12.153 ( 2.368 -4.246 1.633) 5.128 12.342 ( 3.720 -4.044 -0.257) 5.501 12.357 ( 2.302 2.259 -0.087) 3.227 12.414 ( -0.476 3.179 -3.026) 4.414 12.533 ( -0.373 6.106 0.620) 6.149 12.818 ( 3.354 1.857 -0.675) 3.892 12.998 ( 6.735 -6.310 2.303) 9.512 13.099 ( 4.676 -1.794 8.302) 9.695 13.248 ( 10.169 0.761 -3.308) 10.721 13.349 ( 0.341 2.704 -6.309) 6.872 13.411 ( -3.106 -0.071 -0.094) 3.108 13.482 ( 1.641 -7.203 -4.432) 8.616 13.658 ( -1.541 -9.822 5.848) 11.535 13.909 ( 1.522 1.978 0.120) 2.498 13.977 ( -0.285 -8.164 -4.012) 9.101 14.169 ( 6.475 7.256 6.805) 11.869 14.340 ( -8.388 7.911 -0.266) 11.533 14.477 ( 1.523 9.099 -1.802) 9.400 14.569 ( -2.494 1.281 -3.319) 4.345 14.772 ( 0.377 2.032 -0.468) 2.119 14.979 ( -1.728 1.352 2.718) 3.493 15.099 ( 2.983 1.187 1.351) 3.483 15.252 ( -10.529 -4.251 -3.414) 11.857 15.476 ( -1.091 -5.523 0.222) 5.634 15.519 ( -6.212 -4.267 1.743) 7.735 15.621 ( -3.618 1.121 -0.149) 3.791 15.679 ( -2.032 -1.036 0.073) 2.282 20.175 ( 1.942 -1.719 -0.243) 2.605 20.213 ( 2.199 -1.794 0.232) 2.847 20.241 ( 1.790 -0.898 0.281) 2.022 20.425 ( 1.722 -10.043 -2.997) 10.621 20.963 ( 2.473 4.545 -1.305) 5.337 21.093 ( -0.293 0.037 0.023) 0.296 21.145 ( 5.408 7.351 2.223) 9.393 21.221 ( -0.589 8.404 -0.294) 8.429 21.341 ( -5.787 17.384 -4.731) 18.923 21.475 ( -0.211 0.320 0.625) 0.733 21.668 ( -0.800 4.213 0.128) 4.291 21.698 ( -1.144 3.779 -0.837) 4.036 22.053 ( 7.610 -6.764 -2.524) 10.490 22.119 ( 9.992 -4.952 4.595) 12.061 22.280 ( -6.089 -13.797 4.270) 15.674 22.469 ( -13.346 -7.227 -6.818) 16.638 22.891 ( 0.998 -0.451 1.817) 2.121 22.922 ( 1.093 -1.217 -2.234) 2.768 23.001 ( -3.103 5.048 7.858) 9.841 23.072 ( -0.157 5.295 -0.240) 5.303 23.324 ( 8.873 0.362 -9.164) 12.761 23.432 ( -5.441 -0.599 12.332) 13.493 23.843 ( 0.386 4.331 2.199) 4.872 24.108 ( -13.632 -2.568 -3.149) 14.224 26.242 ( 1.037 0.529 -0.060) 1.166 26.304 ( 1.493 -0.968 0.043) 1.780 26.364 ( 2.325 0.177 0.506) 2.386 26.494 ( -0.092 -3.236 -1.294) 3.486 ======================= Grid point 14 (9/54) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 0.000 29.972 0.000) 29.972 1.226 ( 0.000 31.099 0.000) 31.099 1.675 ( 0.000 -23.353 0.000) 23.353 1.728 ( 0.000 -19.677 0.000) 19.677 1.856 ( 0.000 -1.609 0.000) 1.609 1.882 ( 0.000 -3.163 0.000) 3.163 2.166 ( 0.000 38.855 0.000) 38.855 2.372 ( 0.000 5.350 0.000) 5.350 2.402 ( 0.000 9.552 0.000) 9.552 2.502 ( 0.000 -5.685 0.000) 5.685 2.505 ( 0.000 -2.765 0.000) 2.765 2.557 ( 0.000 -4.658 0.000) 4.658 2.573 ( 0.000 2.826 0.000) 2.826 2.682 ( 0.000 4.868 0.000) 4.868 2.739 ( 0.000 -3.782 0.000) 3.782 2.802 ( 0.000 4.356 0.000) 4.356 2.865 ( 0.000 5.824 0.000) 5.824 2.883 ( 0.000 -3.677 0.000) 3.677 2.920 ( 0.000 -7.586 0.000) 7.586 3.041 ( 0.000 8.310 0.000) 8.310 3.125 ( 0.000 -19.910 0.000) 19.910 3.175 ( 0.000 -7.902 0.000) 7.902 3.223 ( 0.000 1.137 0.000) 1.137 3.251 ( 0.000 -10.082 0.000) 10.082 3.270 ( 0.000 9.354 0.000) 9.354 3.396 ( 0.000 7.236 0.000) 7.236 3.416 ( 0.000 -10.233 0.000) 10.233 3.482 ( 0.000 4.542 0.000) 4.542 3.516 ( 0.000 -4.759 0.000) 4.759 3.588 ( 0.000 -5.462 0.000) 5.462 3.735 ( 0.000 4.384 0.000) 4.384 3.778 ( 0.000 9.087 0.000) 9.087 3.792 ( 0.000 -4.299 0.000) 4.299 3.834 ( 0.000 -0.695 0.000) 0.695 3.848 ( 0.000 0.804 0.000) 0.804 3.938 ( 0.000 3.733 0.000) 3.733 3.988 ( 0.000 -6.470 0.000) 6.470 4.018 ( 0.000 -6.613 0.000) 6.613 4.234 ( 0.000 1.795 0.000) 1.795 4.312 ( 0.000 -6.541 0.000) 6.541 4.550 ( 0.000 3.214 0.000) 3.214 4.598 ( 0.000 -1.977 0.000) 1.977 4.707 ( 0.000 5.027 0.000) 5.027 4.721 ( 0.000 2.248 0.000) 2.248 4.752 ( 0.000 4.771 0.000) 4.771 4.816 ( 0.000 -4.420 0.000) 4.420 4.926 ( 0.000 -1.246 0.000) 1.246 4.937 ( 0.000 -2.321 0.000) 2.321 5.115 ( 0.000 2.195 0.000) 2.195 5.128 ( 0.000 1.618 0.000) 1.618 5.151 ( 0.000 2.974 0.000) 2.974 5.203 ( 0.000 -2.040 0.000) 2.040 5.235 ( 0.000 3.893 0.000) 3.893 5.260 ( 0.000 -1.223 0.000) 1.223 5.357 ( 0.000 -1.120 0.000) 1.120 5.369 ( 0.000 0.993 0.000) 0.993 5.491 ( 0.000 3.256 0.000) 3.256 5.633 ( 0.000 -1.469 0.000) 1.469 5.663 ( 0.000 -0.457 0.000) 0.457 5.669 ( 0.000 -8.570 0.000) 8.570 5.780 ( 0.000 -1.140 0.000) 1.140 5.825 ( 0.000 -2.868 0.000) 2.868 5.953 ( 0.000 0.850 0.000) 0.850 5.979 ( 0.000 -2.539 0.000) 2.539 6.093 ( 0.000 1.773 0.000) 1.773 6.106 ( 0.000 0.397 0.000) 0.397 6.493 ( 0.000 3.384 0.000) 3.384 6.514 ( 0.000 0.445 0.000) 0.445 6.689 ( 0.000 4.723 0.000) 4.723 6.781 ( 0.000 -4.571 0.000) 4.571 6.802 ( 0.000 8.899 0.000) 8.899 6.871 ( 0.000 7.096 0.000) 7.096 6.921 ( 0.000 -3.372 0.000) 3.372 7.012 ( 0.000 -7.978 0.000) 7.978 7.053 ( 0.000 1.680 0.000) 1.680 7.094 ( 0.000 -2.707 0.000) 2.707 7.298 ( 0.000 7.147 0.000) 7.147 7.389 ( 0.000 2.400 0.000) 2.400 7.414 ( 0.000 -4.789 0.000) 4.789 7.431 ( 0.000 -0.518 0.000) 0.518 7.604 ( 0.000 1.402 0.000) 1.402 7.657 ( 0.000 -3.178 0.000) 3.178 8.093 ( 0.000 3.894 0.000) 3.894 8.171 ( 0.000 -4.504 0.000) 4.504 8.308 ( 0.000 -0.249 0.000) 0.249 8.311 ( 0.000 -1.387 0.000) 1.387 8.387 ( 0.000 2.765 0.000) 2.765 8.435 ( 0.000 -0.664 0.000) 0.664 8.559 ( 0.000 3.213 0.000) 3.213 8.589 ( 0.000 -1.989 0.000) 1.989 8.716 ( 0.000 0.785 0.000) 0.785 8.726 ( 0.000 -2.893 0.000) 2.893 8.862 ( 0.000 -3.179 0.000) 3.179 8.875 ( 0.000 -2.806 0.000) 2.806 9.003 ( 0.000 0.416 0.000) 0.416 9.005 ( 0.000 -0.317 0.000) 0.317 9.081 ( 0.000 0.634 0.000) 0.634 9.126 ( 0.000 -3.276 0.000) 3.276 9.198 ( 0.000 2.420 0.000) 2.420 9.232 ( 0.000 -1.247 0.000) 1.247 9.453 ( 0.000 5.136 0.000) 5.136 9.511 ( 0.000 0.647 0.000) 0.647 9.525 ( 0.000 2.919 0.000) 2.919 9.587 ( 0.000 -5.196 0.000) 5.196 9.913 ( 0.000 5.983 0.000) 5.983 9.948 ( 0.000 4.463 0.000) 4.463 10.015 ( 0.000 5.356 0.000) 5.356 10.064 ( 0.000 1.018 0.000) 1.018 10.101 ( 0.000 -0.309 0.000) 0.309 10.147 ( 0.000 -5.877 0.000) 5.877 10.276 ( 0.000 -1.683 0.000) 1.683 10.290 ( 0.000 0.813 0.000) 0.813 10.674 ( 0.000 0.039 0.000) 0.039 10.729 ( 0.000 -3.658 0.000) 3.658 10.904 ( 0.000 0.494 0.000) 0.494 10.963 ( 0.000 -5.448 0.000) 5.448 11.022 ( 0.000 3.699 0.000) 3.699 11.101 ( 0.000 -4.415 0.000) 4.415 11.373 ( 0.000 7.591 0.000) 7.591 11.494 ( 0.000 -5.447 0.000) 5.447 11.506 ( 0.000 6.101 0.000) 6.101 11.628 ( 0.000 -6.672 0.000) 6.672 11.674 ( 0.000 9.227 0.000) 9.227 11.772 ( 0.000 6.961 0.000) 6.961 11.832 ( 0.000 -7.150 0.000) 7.150 11.946 ( 0.000 -9.293 0.000) 9.293 11.952 ( 0.000 -0.168 0.000) 0.168 12.000 ( 0.000 -3.509 0.000) 3.509 12.179 ( 0.000 3.175 0.000) 3.175 12.239 ( 0.000 -2.675 0.000) 2.675 12.691 ( 0.000 1.257 0.000) 1.257 12.784 ( 0.000 -7.224 0.000) 7.224 12.932 ( 0.000 4.739 0.000) 4.739 12.987 ( 0.000 8.007 0.000) 8.007 13.032 ( 0.000 -5.914 0.000) 5.914 13.126 ( 0.000 -6.382 0.000) 6.382 13.463 ( 0.000 1.626 0.000) 1.626 13.473 ( 0.000 3.817 0.000) 3.817 13.497 ( 0.000 -1.415 0.000) 1.415 13.542 ( 0.000 -2.447 0.000) 2.447 14.255 ( 0.000 1.554 0.000) 1.554 14.282 ( 0.000 -1.327 0.000) 1.327 14.754 ( 0.000 10.386 0.000) 10.386 14.870 ( 0.000 -1.605 0.000) 1.605 14.909 ( 0.000 1.584 0.000) 1.584 14.974 ( 0.000 -5.092 0.000) 5.092 15.232 ( 0.000 11.571 0.000) 11.571 15.454 ( 0.000 -11.125 0.000) 11.125 15.833 ( 0.000 2.152 0.000) 2.152 15.863 ( 0.000 -1.405 0.000) 1.405 15.959 ( 0.000 0.157 0.000) 0.157 15.966 ( 0.000 -0.345 0.000) 0.345 19.993 ( 0.000 2.191 0.000) 2.191 20.037 ( 0.000 -2.561 0.000) 2.561 20.063 ( 0.000 2.289 0.000) 2.289 20.112 ( 0.000 -2.890 0.000) 2.890 20.910 ( 0.000 3.939 0.000) 3.939 20.982 ( 0.000 -3.667 0.000) 3.667 21.097 ( 0.000 7.101 0.000) 7.101 21.225 ( 0.000 -6.616 0.000) 6.616 21.454 ( 0.000 12.127 0.000) 12.127 21.643 ( 0.000 -8.017 0.000) 8.017 21.767 ( 0.000 4.011 0.000) 4.011 21.835 ( 0.000 -3.218 0.000) 3.218 21.857 ( 0.000 8.949 0.000) 8.949 22.072 ( 0.000 -13.862 0.000) 13.862 22.687 ( 0.000 3.860 0.000) 3.860 22.749 ( 0.000 -2.809 0.000) 2.809 22.888 ( 0.000 -0.724 0.000) 0.724 22.905 ( 0.000 -2.511 0.000) 2.511 23.074 ( 0.000 0.004 0.000) 0.004 23.081 ( 0.000 -0.555 0.000) 0.555 23.369 ( 0.000 5.898 0.000) 5.898 23.474 ( 0.000 -5.430 0.000) 5.430 24.455 ( 0.000 17.452 0.000) 17.452 24.752 ( 0.000 -14.565 0.000) 14.565 26.151 ( 0.000 0.551 0.000) 0.551 26.156 ( 0.000 0.584 0.000) 0.584 26.161 ( 0.000 -0.581 0.000) 0.581 26.167 ( 0.000 -0.614 0.000) 0.614 ======================= Grid point 15 (10/54) ======================= q-point: ( 0.14 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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| 1.257 ( 11.114 24.386 -6.546) 27.587 1.337 ( 10.513 24.914 4.688) 27.444 1.644 ( 1.619 -14.738 -13.254) 19.888 1.757 ( 4.556 -19.761 6.578) 21.320 1.929 ( 3.821 -0.594 3.776) 5.405 2.014 ( 7.870 -10.160 1.612) 12.952 2.235 ( 6.104 25.131 3.025) 26.038 2.409 ( 0.613 1.631 -0.253) 1.760 2.473 ( 6.113 9.391 -3.395) 11.708 2.530 ( 2.353 3.394 -2.349) 4.751 2.556 ( 7.298 0.107 1.578) 7.467 2.578 ( 2.516 -0.860 2.198) 3.450 2.622 ( 4.087 0.916 -0.634) 4.237 2.663 ( 1.109 1.923 1.467) 2.661 2.735 ( 0.929 -4.386 -2.260) 5.021 2.803 ( -0.155 -0.019 1.391) 1.400 2.847 ( -0.052 4.703 0.871) 4.784 2.910 ( -0.292 -1.815 2.619) 3.200 2.972 ( 5.116 -2.110 -0.302) 5.542 2.983 ( -3.426 6.407 -2.320) 7.627 3.102 ( -5.845 -4.764 -4.099) 8.583 3.150 ( 3.148 -6.516 -0.948) 7.299 3.181 ( -1.874 1.189 -2.275) 3.178 3.252 ( -2.345 -0.295 -1.631) 2.872 3.348 ( 4.027 -5.714 5.154) 8.685 3.406 ( 0.705 3.517 4.657) 5.878 3.473 ( -4.310 -1.603 5.937) 7.509 3.500 ( 0.029 -10.017 -1.664) 10.154 3.518 ( 6.511 -3.270 -1.541) 7.447 3.581 ( 4.713 -1.766 -0.172) 5.036 3.648 ( -1.645 3.703 -0.593) 4.095 3.677 ( -3.467 -1.179 -1.039) 3.807 3.851 ( 3.707 6.633 -0.417) 7.610 3.892 ( 5.278 5.481 -2.010) 7.870 3.944 ( 5.076 3.744 -0.072) 6.308 3.994 ( 3.331 -0.559 1.571) 3.725 4.039 ( 2.307 -8.323 1.300) 8.734 4.060 ( 5.986 -6.318 -0.891) 8.749 4.262 ( 3.312 0.190 1.317) 3.570 4.307 ( 0.081 -4.317 2.084) 4.795 4.631 ( 1.006 3.126 2.087) 3.891 4.667 ( -1.167 -0.126 0.475) 1.266 4.677 ( -5.000 2.173 -0.612) 5.486 4.727 ( -6.572 -2.144 -0.104) 6.913 4.789 ( 7.652 5.352 -2.637) 9.703 4.821 ( 4.456 3.332 -1.527) 5.770 4.896 ( -2.402 -0.797 0.160) 2.536 4.929 ( 2.368 -3.863 -1.947) 4.931 4.967 ( -7.865 0.002 -4.646) 9.134 5.004 ( -4.951 -4.328 -1.007) 6.652 5.163 ( 2.078 3.426 -1.061) 4.145 5.220 ( -0.694 4.591 -1.090) 4.770 5.233 ( -3.321 -1.085 0.091) 3.495 5.282 ( 1.508 -1.971 -2.103) 3.253 5.341 ( 3.222 3.044 2.485) 5.082 5.389 ( 2.329 -1.430 -0.355) 2.756 5.507 ( 0.026 2.030 -0.128) 2.034 5.603 ( -5.352 -1.423 0.209) 5.542 5.611 ( -3.523 -2.287 2.640) 4.962 5.659 ( -1.016 -9.536 -4.865) 10.753 5.748 ( -2.737 1.577 1.301) 3.416 5.801 ( -2.903 -1.917 1.200) 3.680 5.928 ( -3.155 1.655 1.423) 3.836 5.957 ( -2.248 -2.195 0.269) 3.154 6.032 ( -6.300 1.352 1.306) 6.574 6.062 ( -5.491 -1.103 -0.112) 5.602 6.384 ( -8.484 4.091 -2.432) 9.727 6.446 ( -8.129 -2.085 -1.426) 8.513 6.690 ( -0.969 5.747 1.892) 6.128 6.749 ( -3.596 2.915 -0.050) 4.629 6.773 ( -1.819 4.657 0.512) 5.026 6.845 ( 1.694 -3.572 -2.064) 4.459 6.994 ( 0.798 2.257 -1.263) 2.707 7.041 ( 0.598 -1.701 -0.893) 2.012 7.053 ( 3.826 1.970 0.844) 4.386 7.128 ( 1.138 -4.959 3.986) 6.463 7.267 ( -1.657 4.963 -1.474) 5.436 7.345 ( -5.034 -0.638 -0.008) 5.074 7.392 ( -2.575 1.507 1.659) 3.414 7.452 ( -2.754 -1.920 6.065) 6.932 7.600 ( -0.007 2.589 2.040) 3.296 7.681 ( 1.867 -4.808 1.375) 5.338 7.982 ( -8.997 6.264 -3.849) 11.619 8.055 ( -8.032 -1.255 2.276) 8.443 8.330 ( 1.803 -0.873 2.173) 2.955 8.341 ( 2.886 -2.461 1.922) 4.252 8.434 ( 3.340 2.840 0.392) 4.401 8.468 ( 2.978 -0.798 -1.049) 3.256 8.604 ( -0.174 4.382 -2.406) 5.003 8.665 ( 0.014 -1.132 -3.331) 3.518 8.692 ( 5.015 0.652 2.259) 5.539 8.745 ( 8.069 -3.051 -3.969) 9.496 8.856 ( -0.518 -2.389 -1.834) 3.056 8.882 ( 1.795 -4.710 -0.339) 5.051 8.964 ( -3.677 2.966 3.222) 5.719 9.038 ( 0.301 -2.943 -0.667) 3.033 9.041 ( -0.922 0.356 -2.789) 2.959 9.071 ( 0.602 -0.891 -3.074) 3.257 9.259 ( 6.189 3.078 -1.855) 7.157 9.304 ( 6.029 -1.216 -1.746) 6.393 9.425 ( -4.094 5.032 -0.679) 6.522 9.485 ( -1.843 -1.013 -2.350) 3.154 9.559 ( 3.924 6.424 1.733) 7.724 9.699 ( 7.185 -9.175 2.265) 11.871 9.826 ( -6.455 6.504 0.943) 9.212 9.894 ( -5.988 3.876 3.218) 7.826 9.972 ( -6.829 2.789 -0.709) 7.410 10.056 ( -3.602 -3.105 -1.285) 4.927 10.072 ( -1.799 2.711 -1.028) 3.412 10.137 ( -0.408 -3.835 -0.488) 3.887 10.192 ( -1.619 1.177 0.036) 2.002 10.225 ( -2.867 -3.230 1.154) 4.470 10.612 ( -5.848 -2.330 0.890) 6.358 10.624 ( -8.796 -3.652 1.330) 9.617 10.903 ( -1.216 2.335 -5.884) 6.446 10.962 ( -0.845 -3.347 -3.893) 5.203 11.155 ( 10.061 2.041 1.368) 10.357 11.191 ( 7.605 -1.915 -0.794) 7.882 11.468 ( 1.488 12.494 -4.936) 13.516 11.516 ( 4.435 6.361 3.037) 8.328 11.634 ( 8.791 -2.655 -0.157) 9.184 11.690 ( 6.751 -6.825 0.976) 9.650 11.717 ( 6.544 5.983 -0.214) 8.870 11.763 ( 2.033 -2.400 1.454) 3.465 11.797 ( -0.703 -3.713 -9.475) 10.201 11.889 ( 2.373 -8.226 0.906) 8.610 11.977 ( 5.668 1.428 -5.411) 7.965 12.044 ( 4.128 -4.433 -2.493) 6.550 12.342 ( 8.695 2.586 9.035) 12.803 12.393 ( 7.784 -2.609 10.447) 13.287 12.639 ( -2.397 1.289 -2.791) 3.898 12.745 ( -0.996 -7.645 -3.617) 8.516 12.940 ( 3.799 4.180 3.564) 6.679 13.012 ( 0.621 -3.943 -0.740) 4.060 13.171 ( 11.213 2.896 1.862) 11.730 13.244 ( 8.254 -4.242 1.387) 9.383 13.438 ( -2.360 -0.493 1.662) 2.928 13.451 ( 0.512 -1.605 3.254) 3.665 13.646 ( 12.859 1.327 1.332) 12.995 13.706 ( 12.987 -3.836 3.253) 13.927 14.195 ( -3.916 2.114 -5.308) 6.927 14.237 ( -3.294 -2.232 -2.323) 4.607 14.727 ( -0.831 8.790 -5.433) 10.367 14.812 ( -2.523 -0.633 -6.291) 6.807 14.928 ( -1.168 2.207 5.131) 5.706 14.992 ( -1.133 -3.489 6.843) 7.764 15.212 ( -2.293 9.784 0.593) 10.066 15.418 ( -3.803 -10.830 -0.507) 11.489 15.743 ( -9.673 3.255 1.300) 10.289 15.792 ( -7.929 -2.146 0.890) 8.262 15.885 ( -7.185 0.178 -0.060) 7.187 15.894 ( -7.227 -0.582 -0.049) 7.250 20.025 ( 3.242 0.916 0.046) 3.370 20.054 ( 2.058 -1.679 0.811) 2.777 20.112 ( 4.521 1.712 -0.971) 4.931 20.163 ( 5.520 -3.868 -1.951) 7.017 20.930 ( 2.399 4.031 -0.584) 4.728 21.001 ( 2.243 -3.532 -0.565) 4.222 21.121 ( 2.603 7.600 0.195) 8.036 21.257 ( 3.044 -6.709 0.233) 7.371 21.466 ( 0.562 12.480 2.595) 12.759 21.665 ( 1.669 -8.616 2.605) 9.154 21.768 ( -0.149 3.809 -0.394) 3.832 21.807 ( -2.928 4.680 -0.100) 5.521 21.850 ( -0.432 1.160 -0.712) 1.428 22.030 ( -3.847 -12.022 -1.523) 12.714 22.602 ( -5.643 9.285 -15.955) 19.303 22.735 ( -0.908 -5.049 -6.175) 8.028 22.858 ( -0.770 -0.179 -1.547) 1.738 22.876 ( -0.804 -1.585 -1.704) 2.462 23.086 ( 3.170 2.276 -4.221) 5.749 23.118 ( 4.860 -1.338 -3.639) 6.217 23.251 ( -16.099 6.201 21.630) 27.668 23.371 ( -12.553 -6.863 10.605) 17.809 24.372 ( -9.442 15.160 1.702) 17.941 24.614 ( -12.949 -10.474 -0.141) 16.656 26.173 ( 2.230 0.612 -0.120) 2.316 26.185 ( 2.455 -0.725 -0.178) 2.566 26.221 ( 5.127 1.029 0.093) 5.230 26.263 ( 8.627 -4.241 -0.621) 9.633 ======================= Grid point 16 (11/54) ======================= q-point: ( 0.29 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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| 1.499 ( 18.355 12.510 -4.111) 22.590 1.615 ( 14.272 15.570 7.633) 22.459 1.655 ( 7.253 -3.848 -8.989) 12.175 1.910 ( 7.093 -13.912 5.097) 16.427 1.987 ( 2.380 2.289 0.266) 3.313 2.132 ( 4.811 -11.536 0.100) 12.499 2.326 ( 0.639 3.291 0.726) 3.430 2.387 ( -2.421 -1.832 -2.026) 3.649 2.482 ( -2.994 1.996 -2.775) 4.544 2.515 ( 0.523 -1.608 -5.079) 5.353 2.607 ( 2.596 3.341 -5.018) 6.564 2.648 ( 2.361 -1.657 -2.079) 3.556 2.681 ( 1.161 2.883 -0.953) 3.251 2.729 ( 0.186 -0.253 0.080) 0.324 2.803 ( 0.621 2.237 -3.441) 4.151 2.833 ( -2.427 2.807 1.879) 4.159 2.836 ( -4.134 -1.548 -4.793) 6.516 2.890 ( 1.603 2.756 2.200) 3.874 2.935 ( 0.577 -5.315 6.729) 8.595 2.993 ( 3.029 -6.631 1.749) 7.497 3.131 ( 1.429 4.232 0.105) 4.468 3.184 ( -1.073 5.960 0.095) 6.057 3.202 ( 4.059 -0.939 1.742) 4.516 3.244 ( 9.440 2.612 -0.922) 9.838 3.349 ( -0.874 1.398 2.708) 3.170 3.408 ( -0.467 -0.718 1.449) 1.683 3.471 ( 1.982 1.286 2.371) 3.347 3.543 ( 1.939 3.840 1.563) 4.577 3.598 ( 3.727 -0.320 1.860) 4.178 3.627 ( 1.604 -0.109 1.625) 2.286 3.741 ( 10.260 2.155 -3.308) 10.993 3.833 ( 14.368 -6.048 -1.977) 15.714 3.903 ( 3.664 5.325 1.898) 6.737 3.971 ( 3.948 7.314 -2.409) 8.654 4.035 ( 1.042 -2.473 2.204) 3.473 4.067 ( 8.227 0.458 -0.082) 8.240 4.132 ( 4.281 -5.659 -1.927) 7.353 4.144 ( 6.389 -2.786 4.261) 8.169 4.296 ( 0.310 -1.526 1.523) 2.178 4.322 ( -2.706 -3.702 0.320) 4.596 4.501 ( -9.754 1.577 1.271) 9.962 4.537 ( -8.570 -1.086 -0.228) 8.641 4.612 ( -3.038 3.935 1.001) 5.071 4.668 ( -2.948 -0.984 -0.732) 3.193 4.734 ( -3.952 0.649 -4.548) 6.060 4.770 ( -5.964 -3.561 -1.193) 7.048 4.848 ( -0.606 2.679 -4.827) 5.554 4.905 ( 0.857 0.097 0.126) 0.871 4.984 ( -1.186 -0.185 1.400) 1.844 4.997 ( 0.588 -2.788 -1.760) 3.349 5.184 ( -0.116 2.615 1.633) 3.085 5.229 ( 2.286 -0.433 -0.324) 2.349 5.285 ( 3.059 0.527 1.702) 3.540 5.326 ( 1.597 -0.687 -1.681) 2.419 5.380 ( -0.199 5.428 -5.693) 7.869 5.430 ( 0.830 1.526 -1.505) 2.298 5.481 ( 0.144 -0.454 -3.445) 3.477 5.498 ( -1.086 -0.074 0.699) 1.293 5.568 ( -1.876 -4.156 3.374) 5.672 5.597 ( -0.867 -8.360 -4.013) 9.314 5.709 ( -3.426 2.357 1.133) 4.310 5.773 ( -0.272 -0.826 -0.451) 0.980 5.868 ( -3.762 2.286 -1.261) 4.579 5.906 ( -7.117 -0.695 3.026) 7.765 5.912 ( -2.379 -1.073 2.040) 3.313 5.937 ( -6.601 -2.653 -0.016) 7.114 6.203 ( -9.367 2.833 -0.315) 9.792 6.253 ( -10.531 -2.015 -1.026) 10.771 6.663 ( -2.974 5.606 1.434) 6.506 6.681 ( -4.287 3.702 0.878) 5.732 6.739 ( -2.775 5.162 0.173) 5.863 6.833 ( -2.418 -4.347 -1.111) 5.097 6.994 ( 1.222 3.002 0.110) 3.243 7.035 ( 0.207 -1.649 0.099) 1.665 7.113 ( 0.119 3.234 2.589) 4.144 7.161 ( -0.541 -3.147 4.239) 5.307 7.231 ( -1.955 2.234 -1.353) 3.262 7.254 ( -2.962 1.036 -0.812) 3.242 7.341 ( -2.935 0.209 -1.370) 3.246 7.398 ( -5.584 -4.700 3.689) 8.178 7.622 ( -0.341 2.978 0.756) 3.092 7.683 ( -1.989 -3.135 -0.820) 3.802 7.866 ( -0.701 5.088 -2.303) 5.629 7.949 ( -4.364 -2.787 0.384) 5.192 8.381 ( -0.843 2.489 -0.009) 2.628 8.394 ( 2.302 1.334 4.346) 5.095 8.486 ( -0.447 -0.704 0.325) 0.895 8.488 ( 3.223 -1.127 -1.150) 3.603 8.581 ( 1.464 1.364 -1.049) 2.259 8.622 ( -0.376 -1.816 -3.489) 3.951 8.830 ( 0.494 0.102 3.140) 3.180 8.848 ( 4.746 -1.317 2.864) 5.698 8.885 ( 5.267 0.602 -0.363) 5.314 8.942 ( 4.755 -4.292 -2.614) 6.918 8.969 ( 0.125 1.257 3.528) 3.747 9.002 ( 1.342 -1.399 3.097) 3.653 9.061 ( 2.775 0.101 -4.816) 5.559 9.094 ( 1.782 -2.715 -3.872) 5.054 9.338 ( -1.598 7.141 0.194) 7.321 9.354 ( 3.523 4.527 -2.275) 6.171 9.383 ( 2.202 2.357 -1.109) 3.411 9.439 ( -0.072 -1.435 -3.040) 3.362 9.627 ( 1.046 3.506 0.034) 3.659 9.727 ( -4.805 -2.492 2.659) 6.030 9.744 ( 0.196 2.434 -2.343) 3.385 9.821 ( -7.387 0.546 -0.099) 7.408 9.913 ( 1.138 -1.758 2.722) 3.434 9.948 ( -0.038 -4.415 -1.797) 4.767 10.037 ( -1.967 2.913 -1.667) 3.890 10.102 ( -1.080 -3.237 -3.848) 5.143 10.224 ( 2.121 0.403 4.232) 4.751 10.292 ( 5.467 -6.184 4.559) 9.429 10.471 ( -8.373 -1.274 0.389) 8.478 10.495 ( -7.082 -2.082 0.306) 7.388 10.820 ( -3.239 3.730 -4.439) 6.642 10.885 ( -4.078 -2.967 -2.976) 5.855 11.256 ( 2.720 4.282 -2.390) 5.608 11.336 ( 5.432 -2.677 2.678) 6.622 11.436 ( -0.638 12.632 -4.370) 13.382 11.519 ( -2.101 6.716 -1.263) 7.149 11.679 ( 0.531 -6.818 -0.190) 6.841 11.725 ( 0.266 -1.980 -4.872) 5.266 11.786 ( 3.058 -0.355 1.963) 3.651 11.859 ( 2.643 -7.101 -3.920) 8.531 11.985 ( 12.939 0.773 1.628) 13.064 12.006 ( 9.465 0.220 4.935) 10.677 12.113 ( 9.590 -1.788 0.325) 9.761 12.176 ( 10.101 -7.282 -2.833) 12.770 12.456 ( 3.614 3.264 -2.704) 5.570 12.548 ( 5.400 -6.638 -2.393) 8.885 12.648 ( 3.789 7.632 6.979) 11.014 12.792 ( 3.465 -7.348 7.158) 10.828 13.055 ( 4.076 4.176 1.917) 6.143 13.087 ( 9.547 1.550 1.205) 9.746 13.345 ( 7.220 -0.534 -2.253) 7.583 13.367 ( 5.339 -3.523 -6.650) 9.227 13.412 ( -1.804 1.765 3.807) 4.568 13.497 ( -0.104 -7.230 4.352) 8.439 13.867 ( 9.086 1.815 -3.367) 9.859 13.925 ( 4.859 -3.144 -3.390) 6.707 14.125 ( 1.785 4.388 2.663) 5.434 14.228 ( 5.980 -6.370 3.574) 9.441 14.662 ( -1.969 6.366 -5.895) 8.896 14.712 ( -4.341 0.547 -4.602) 6.350 14.914 ( -3.082 6.274 1.920) 7.250 15.003 ( -2.336 -2.156 5.687) 6.515 15.163 ( -3.299 5.014 0.468) 6.020 15.309 ( -7.471 -9.032 -0.893) 11.755 15.546 ( -11.670 2.713 2.078) 12.160 15.611 ( -11.738 -3.685 1.453) 12.389 15.741 ( -7.571 0.151 -0.138) 7.574 15.747 ( -7.436 -0.491 -0.123) 7.453 20.097 ( 4.221 0.096 -0.075) 4.223 20.116 ( 3.851 -1.707 0.572) 4.250 20.187 ( 3.989 1.590 -0.886) 4.385 20.247 ( 4.409 -5.094 -2.397) 7.151 20.985 ( 3.977 3.973 -1.216) 5.752 21.047 ( 2.963 -2.772 -0.843) 4.144 21.189 ( 4.244 8.130 0.969) 9.222 21.315 ( 2.411 -4.284 0.752) 4.973 21.513 ( 1.993 12.405 3.431) 13.025 21.698 ( -3.501 3.593 -2.114) 5.444 21.758 ( 4.193 -8.512 4.155) 10.359 21.788 ( 0.101 3.859 0.839) 3.950 21.810 ( -3.053 0.276 -2.890) 4.213 21.955 ( -1.615 -6.610 -0.998) 6.877 22.332 ( -11.197 10.558 -11.599) 19.271 22.571 ( -9.736 -12.026 -13.294) 20.400 22.865 ( 1.255 1.042 1.284) 2.075 22.887 ( 1.067 -1.388 0.513) 1.824 23.122 ( 1.240 2.995 -0.501) 3.280 23.133 ( -9.291 3.210 14.608) 17.608 23.213 ( 7.056 0.963 -1.852) 7.358 23.293 ( -2.172 -6.428 13.662) 15.254 24.158 ( -14.049 11.379 0.971) 18.105 24.334 ( -16.608 -7.437 -1.273) 18.242 26.220 ( 2.693 0.837 -0.089) 2.821 26.238 ( 3.066 -1.098 -0.055) 3.257 26.317 ( 4.750 2.221 0.028) 5.244 26.383 ( 4.723 -5.086 -1.053) 7.020 ======================= Grid point 17 (12/54) ======================= q-point: ( 0.43 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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| 1.739 ( 5.276 4.849 -2.989) 7.764 1.798 ( 10.653 -0.848 0.571) 10.702 1.890 ( 10.841 8.982 3.461) 14.498 2.030 ( 3.917 -1.067 0.773) 4.132 2.101 ( 9.285 1.746 3.376) 10.033 2.232 ( 6.033 -8.878 2.086) 10.934 2.236 ( -6.072 -1.547 -2.890) 6.900 2.290 ( -5.385 -3.417 -2.427) 6.824 2.377 ( -7.504 -2.368 -1.710) 8.052 2.397 ( -12.408 -3.657 -3.766) 13.473 2.609 ( 1.249 -0.113 -2.407) 2.714 2.629 ( 1.106 -2.384 -5.974) 6.526 2.680 ( 1.158 3.586 -1.722) 4.143 2.743 ( 2.975 2.445 -2.070) 4.372 2.765 ( 0.593 -2.587 -0.383) 2.682 2.780 ( 1.343 -0.715 -1.131) 1.895 2.818 ( -4.189 1.439 4.305) 6.177 2.868 ( -2.982 -1.255 3.815) 5.002 3.000 ( -2.485 -1.448 -1.342) 3.174 3.007 ( -1.253 -3.052 2.407) 4.084 3.174 ( 5.328 2.325 -1.267) 5.950 3.217 ( 0.961 -0.876 -0.723) 1.488 3.241 ( -1.136 1.229 0.605) 1.779 3.272 ( 2.815 -2.280 1.076) 3.779 3.382 ( 0.104 0.992 0.691) 1.213 3.412 ( -1.934 -1.256 2.893) 3.700 3.593 ( 4.155 2.724 0.151) 4.970 3.611 ( 3.818 2.911 -2.868) 5.592 3.665 ( 1.009 4.090 -0.824) 4.293 3.706 ( 5.405 0.759 1.237) 5.597 3.929 ( 1.909 11.591 0.224) 11.750 3.943 ( 9.470 7.194 0.824) 11.921 3.996 ( -0.116 5.319 -0.490) 5.343 4.046 ( 0.780 -0.312 -0.912) 1.239 4.075 ( 8.429 -1.606 2.188) 8.856 4.163 ( -0.396 -6.383 -1.674) 6.611 4.173 ( 0.463 2.055 1.549) 2.615 4.252 ( -0.919 -0.327 1.583) 1.859 4.309 ( 4.754 -3.179 2.500) 6.241 4.344 ( -3.762 -0.571 0.900) 3.910 4.429 ( 6.023 3.441 5.137) 8.632 4.483 ( -2.188 2.921 1.340) 3.888 4.526 ( 0.472 -3.918 1.569) 4.247 4.591 ( 1.190 -1.809 0.993) 2.381 4.672 ( -1.221 -1.477 -1.910) 2.705 4.753 ( -2.364 -6.645 -2.043) 7.343 4.797 ( -4.723 2.011 -5.413) 7.460 4.852 ( -2.743 -3.466 -3.989) 5.954 4.975 ( 0.638 2.389 -2.621) 3.604 4.995 ( 1.157 0.411 -0.563) 1.351 5.077 ( -8.682 5.157 1.716) 10.242 5.156 ( -8.001 -0.017 1.264) 8.100 5.286 ( 2.132 0.720 0.737) 2.368 5.310 ( 0.446 -2.583 0.451) 2.660 5.384 ( -0.077 2.673 -1.066) 2.879 5.438 ( 0.577 2.407 -1.776) 3.046 5.461 ( -1.648 -0.907 -1.635) 2.492 5.533 ( 1.371 -3.907 0.824) 4.221 5.592 ( 3.878 -0.062 -3.305) 5.096 5.627 ( -0.143 -2.206 1.176) 2.504 5.634 ( -0.639 1.914 -1.152) 2.324 5.740 ( -2.268 -6.420 -1.366) 6.945 5.783 ( -1.817 1.826 -1.048) 2.781 5.811 ( -4.644 -0.847 0.024) 4.720 5.918 ( 1.606 0.916 2.254) 2.915 5.937 ( 1.784 -0.722 1.373) 2.364 6.073 ( -4.492 1.902 0.804) 4.944 6.105 ( -4.324 -1.257 0.266) 4.511 6.609 ( -2.720 6.151 0.008) 6.726 6.635 ( -0.885 3.314 1.543) 3.762 6.673 ( -3.509 5.360 -0.324) 6.415 6.782 ( -1.907 -3.777 0.276) 4.240 7.022 ( 1.219 2.615 0.398) 2.913 7.064 ( 1.260 -2.099 1.695) 2.977 7.121 ( -0.308 4.003 3.861) 5.570 7.172 ( -1.858 2.553 -2.932) 4.309 7.181 ( 0.215 -2.193 2.336) 3.211 7.218 ( -0.974 -2.447 -2.480) 3.617 7.276 ( -2.020 0.179 -2.256) 3.034 7.335 ( -2.471 -6.782 1.135) 7.307 7.589 ( -1.638 2.561 -0.589) 3.096 7.655 ( -0.489 -3.468 -0.582) 3.550 7.864 ( 0.345 2.783 -0.446) 2.840 7.905 ( -1.014 -1.431 0.187) 1.764 8.353 ( -0.642 7.372 -1.570) 7.564 8.443 ( -0.062 3.985 2.161) 4.534 8.484 ( 2.769 -4.914 -0.901) 5.712 8.522 ( -1.728 -5.052 2.888) 6.071 8.607 ( 0.489 -0.360 0.220) 0.646 8.617 ( 1.479 -1.948 -1.969) 3.140 8.858 ( 1.554 3.824 2.837) 5.009 8.915 ( -0.159 -0.854 0.682) 1.105 8.927 ( -1.682 6.016 0.280) 6.253 8.957 ( 1.606 0.689 -1.157) 2.095 8.995 ( 2.598 -2.210 -0.897) 3.526 9.036 ( -1.140 -5.000 0.154) 5.131 9.113 ( 2.439 -1.403 1.761) 3.320 9.119 ( 2.876 -2.310 -1.139) 3.861 9.308 ( -2.797 7.613 -2.009) 8.355 9.356 ( 1.531 7.521 1.633) 7.847 9.422 ( 2.383 0.188 -2.092) 3.177 9.452 ( 0.262 -4.108 -1.867) 4.520 9.571 ( -3.051 1.815 -1.515) 3.859 9.707 ( 0.105 -8.732 2.179) 9.001 9.770 ( 2.380 1.986 -0.862) 3.218 9.771 ( -0.421 0.660 1.069) 1.325 9.886 ( -0.897 4.147 0.957) 4.349 9.968 ( -0.983 -1.434 -0.498) 1.808 10.016 ( 0.075 4.272 -0.108) 4.274 10.094 ( 2.040 -4.895 -3.205) 6.197 10.281 ( 1.979 -0.034 -0.225) 1.992 10.335 ( -5.087 -3.513 -0.033) 6.183 10.390 ( -0.811 -0.842 1.337) 1.776 10.412 ( -0.323 -4.857 3.371) 5.921 10.761 ( -0.709 2.507 -1.526) 3.019 10.809 ( -2.398 -2.564 -0.628) 3.567 11.268 ( 0.624 5.250 -1.684) 5.548 11.389 ( 0.188 -4.290 -2.138) 4.797 11.404 ( 1.732 12.785 -3.318) 13.321 11.482 ( -3.754 4.456 5.064) 7.719 11.692 ( 0.545 -6.402 -0.100) 6.426 11.721 ( 1.273 -8.637 -1.156) 8.806 11.827 ( -0.376 -3.679 1.971) 4.190 11.861 ( 2.003 -3.486 -4.694) 6.180 12.093 ( 1.612 6.640 -0.425) 6.846 12.179 ( 3.898 4.773 1.890) 6.446 12.255 ( 3.805 -3.838 1.909) 5.732 12.296 ( 3.477 -9.439 -0.170) 10.061 12.526 ( 5.295 6.198 -2.749) 8.603 12.606 ( 1.645 -0.703 -2.293) 2.908 12.821 ( 8.205 1.940 6.775) 10.816 12.906 ( 3.924 -5.306 4.380) 7.920 13.138 ( -1.086 6.758 8.794) 11.144 13.250 ( 5.798 -0.701 1.390) 6.004 13.312 ( 1.347 -3.616 -12.127) 12.726 13.321 ( -5.070 -7.660 -9.324) 13.089 13.475 ( 2.488 2.437 1.865) 3.951 13.520 ( 0.082 -4.033 5.065) 6.475 13.899 ( 0.083 -0.264 -3.036) 3.048 13.921 ( 0.823 -1.167 -2.514) 2.891 14.301 ( 8.864 6.752 5.378) 12.373 14.394 ( 3.484 -2.343 3.572) 5.513 14.600 ( -1.220 4.187 -2.877) 5.225 14.617 ( -1.994 2.542 -2.232) 3.927 14.860 ( -2.305 6.909 -0.382) 7.293 14.973 ( -3.215 -3.639 1.624) 5.120 15.115 ( -1.118 1.476 -0.409) 1.896 15.169 ( -5.721 -4.011 -0.848) 7.038 15.405 ( -3.857 -1.083 1.252) 4.197 15.438 ( -6.759 -3.956 1.102) 7.908 15.636 ( -3.182 0.770 -0.126) 3.276 15.655 ( -2.590 -1.316 -0.006) 2.905 20.159 ( 2.122 0.174 0.055) 2.129 20.179 ( 2.139 -1.708 0.148) 2.741 20.233 ( 1.397 0.665 -0.294) 1.574 20.283 ( 1.071 -5.144 -1.141) 5.377 21.041 ( 2.404 3.432 -0.906) 4.287 21.083 ( 1.141 -1.265 -0.381) 1.745 21.277 ( 3.713 6.351 1.648) 7.539 21.346 ( 0.453 0.553 0.830) 1.096 21.516 ( -2.837 9.718 -1.336) 10.211 21.666 ( 1.286 10.751 1.598) 10.945 21.711 ( -2.860 -1.449 -2.842) 4.284 21.793 ( -0.144 6.602 0.379) 6.615 21.921 ( 7.157 -6.964 2.974) 10.419 21.996 ( 6.714 -10.396 2.728) 12.673 22.095 ( -8.795 1.607 -2.930) 9.408 22.275 ( -12.814 -12.686 -9.615) 20.435 22.890 ( 0.341 0.350 0.708) 0.860 22.902 ( 0.534 -0.926 -0.086) 1.073 23.086 ( -2.501 3.797 4.038) 6.081 23.126 ( -1.475 -0.032 3.615) 3.905 23.355 ( 8.407 3.113 -2.004) 9.186 23.409 ( 3.965 -2.212 5.356) 7.021 23.940 ( -7.565 5.775 0.362) 9.524 24.040 ( -12.348 -4.860 -1.942) 13.412 26.257 ( 1.175 1.131 -0.023) 1.631 26.281 ( 1.367 -1.435 0.030) 1.982 26.379 ( 1.886 1.686 0.064) 2.530 26.428 ( 1.155 -3.477 -0.536) 3.703 ======================= Grid point 35 (13/54) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( -1.084 0.000 28.480) 28.500 0.595 ( -0.885 0.000 31.593) 31.605 0.784 ( 0.717 0.000 36.944) 36.951 1.746 ( -5.333 0.000 -14.401) 15.357 1.908 ( 3.669 0.000 -19.030) 19.380 2.042 ( 2.817 0.000 -5.520) 6.197 2.201 ( -0.305 0.000 -13.759) 13.762 2.264 ( -1.196 0.000 3.292) 3.503 2.408 ( -2.935 0.000 -1.477) 3.286 2.464 ( -1.399 0.000 8.660) 8.773 2.485 ( 3.108 0.000 6.343) 7.064 2.592 ( 3.013 0.000 -5.953) 6.672 2.620 ( 1.054 0.000 -0.314) 1.100 2.721 ( -0.529 0.000 -1.177) 1.291 2.723 ( 0.617 0.000 2.401) 2.479 2.759 ( 0.971 0.000 0.400) 1.051 2.856 ( -3.005 0.000 3.089) 4.309 2.900 ( -1.579 0.000 1.102) 1.926 2.959 ( -0.231 0.000 -0.302) 0.380 3.035 ( -0.515 0.000 0.390) 0.646 3.075 ( 1.568 0.000 -4.331) 4.606 3.115 ( -0.978 0.000 -1.809) 2.056 3.134 ( 3.633 0.000 2.755) 4.559 3.158 ( -0.307 0.000 1.719) 1.746 3.332 ( -1.247 0.000 3.209) 3.442 3.407 ( 1.084 0.000 -1.547) 1.889 3.474 ( 1.220 0.000 2.199) 2.515 3.507 ( -3.912 0.000 -1.943) 4.368 3.573 ( 1.288 0.000 -2.381) 2.707 3.671 ( 2.312 0.000 -2.508) 3.411 3.687 ( 4.080 0.000 -1.241) 4.265 3.747 ( -4.865 0.000 -2.524) 5.481 3.832 ( 9.219 0.000 -6.411) 11.229 3.905 ( -10.280 0.000 5.335) 11.582 3.966 ( -6.601 0.000 3.186) 7.330 4.036 ( -10.196 0.000 -2.780) 10.568 4.115 ( 3.498 0.000 -4.226) 5.486 4.208 ( 3.359 0.000 -1.611) 3.725 4.327 ( 1.704 0.000 -4.342) 4.665 4.507 ( 4.077 0.000 3.487) 5.364 4.509 ( -2.222 0.000 0.117) 2.225 4.529 ( 2.055 0.000 2.022) 2.883 4.580 ( -3.864 0.000 2.614) 4.666 4.618 ( 4.890 0.000 -2.624) 5.549 4.727 ( 7.556 0.000 0.608) 7.580 4.899 ( 1.008 0.000 -2.330) 2.538 4.911 ( -6.583 0.000 -1.093) 6.673 4.973 ( 1.246 0.000 -1.318) 1.814 4.976 ( 3.042 0.000 -2.782) 4.122 5.028 ( -3.263 0.000 -2.629) 4.190 5.119 ( -4.127 0.000 -5.790) 7.110 5.181 ( 4.171 0.000 0.954) 4.279 5.223 ( 0.240 0.000 7.850) 7.854 5.306 ( 3.652 0.000 0.235) 3.659 5.339 ( 8.624 0.000 4.819) 9.879 5.384 ( -8.228 0.000 1.859) 8.436 5.440 ( 2.049 0.000 -3.716) 4.243 5.540 ( -2.023 0.000 1.812) 2.716 5.614 ( -8.623 0.000 2.142) 8.885 5.740 ( 3.120 0.000 3.614) 4.774 5.896 ( -1.483 0.000 0.455) 1.551 5.951 ( 2.024 0.000 -5.600) 5.955 5.966 ( -3.139 0.000 -2.865) 4.250 6.058 ( -0.005 0.000 -3.952) 3.952 6.239 ( 4.929 0.000 4.345) 6.570 6.296 ( -1.389 0.000 2.814) 3.138 6.491 ( 0.164 0.000 1.563) 1.572 6.537 ( 1.799 0.000 1.055) 2.086 6.559 ( 0.884 0.000 -0.881) 1.248 6.575 ( 5.543 0.000 0.593) 5.574 6.715 ( 0.446 0.000 -1.874) 1.927 6.740 ( -4.754 0.000 4.034) 6.235 6.898 ( -4.556 0.000 4.634) 6.499 6.987 ( -6.384 0.000 1.811) 6.636 7.049 ( 1.916 0.000 -7.878) 8.107 7.059 ( 1.139 0.000 3.520) 3.699 7.213 ( 5.474 0.000 3.994) 6.776 7.314 ( -3.463 0.000 -3.438) 4.879 7.406 ( -0.489 0.000 -7.560) 7.576 7.499 ( 1.610 0.000 -0.537) 1.697 7.536 ( -0.887 0.000 13.572) 13.601 7.844 ( -0.173 0.000 4.104) 4.108 7.973 ( 4.793 0.000 -4.331) 6.460 8.107 ( -16.787 0.000 -1.592) 16.862 8.226 ( 4.944 0.000 1.484) 5.162 8.310 ( -0.436 0.000 -2.378) 2.418 8.443 ( -3.017 0.000 -0.604) 3.076 8.455 ( -1.499 0.000 -1.775) 2.323 8.464 ( -4.283 0.000 1.595) 4.571 8.667 ( -1.195 0.000 -1.169) 1.672 8.715 ( -1.477 0.000 -3.446) 3.749 8.751 ( 23.645 0.000 -2.124) 23.740 8.851 ( -7.552 0.000 -7.180) 10.421 8.887 ( 3.624 0.000 -3.400) 4.970 8.929 ( 0.852 0.000 -1.745) 1.941 8.996 ( 1.089 0.000 2.403) 2.639 9.148 ( 0.475 0.000 1.720) 1.784 9.162 ( -0.052 0.000 1.878) 1.879 9.202 ( -6.058 0.000 2.715) 6.638 9.216 ( -2.300 0.000 3.130) 3.884 9.283 ( 0.879 0.000 3.078) 3.201 9.344 ( -1.545 0.000 -2.446) 2.893 9.465 ( -3.704 0.000 -1.166) 3.883 9.740 ( -0.271 0.000 8.174) 8.179 9.781 ( -7.663 0.000 -3.984) 8.637 9.835 ( 2.857 0.000 5.921) 6.574 10.008 ( 1.739 0.000 3.221) 3.661 10.085 ( -1.165 0.000 -0.737) 1.379 10.152 ( -1.083 0.000 3.606) 3.765 10.296 ( -7.657 0.000 0.530) 7.675 10.314 ( -1.208 0.000 -0.178) 1.221 10.374 ( 4.201 0.000 -4.011) 5.808 10.694 ( -0.935 0.000 -5.043) 5.129 10.753 ( 3.465 0.000 -1.820) 3.914 10.931 ( -6.413 0.000 -1.840) 6.672 10.961 ( 9.038 0.000 -0.325) 9.044 11.103 ( -2.228 0.000 2.910) 3.665 11.128 ( 3.417 0.000 -5.290) 6.297 11.189 ( -0.062 0.000 5.220) 5.220 11.422 ( -4.716 0.000 -0.645) 4.760 11.453 ( 4.153 0.000 4.338) 6.006 11.598 ( 6.492 0.000 -3.142) 7.213 11.605 ( 4.750 0.000 -0.384) 4.766 11.715 ( 0.151 0.000 1.587) 1.594 11.779 ( 0.326 0.000 -2.594) 2.614 11.964 ( -6.585 0.000 -1.663) 6.791 12.025 ( 3.167 0.000 5.753) 6.567 12.092 ( -1.611 0.000 -2.987) 3.393 12.119 ( 0.621 0.000 8.127) 8.150 12.186 ( 5.676 0.000 -3.930) 6.903 12.644 ( 2.752 0.000 -5.286) 5.959 12.763 ( 6.924 0.000 -3.033) 7.559 12.910 ( 0.250 0.000 -0.205) 0.323 12.956 ( -6.422 0.000 -4.858) 8.053 13.093 ( -5.881 0.000 -3.658) 6.926 13.241 ( 6.245 0.000 -7.750) 9.953 13.434 ( -3.580 0.000 3.404) 4.940 13.570 ( -2.045 0.000 5.194) 5.582 13.591 ( 9.369 0.000 2.124) 9.607 13.744 ( 2.921 0.000 -0.861) 3.045 14.280 ( -4.217 0.000 2.102) 4.711 14.391 ( 0.450 0.000 7.045) 7.059 14.440 ( 1.030 0.000 -2.871) 3.050 14.809 ( -0.030 0.000 -1.766) 1.766 14.878 ( -4.080 0.000 1.610) 4.386 14.966 ( 2.308 0.000 -1.435) 2.718 15.398 ( -4.803 0.000 3.076) 5.704 15.641 ( 0.710 0.000 -2.580) 2.676 15.787 ( 0.878 0.000 3.136) 3.256 15.921 ( 0.874 0.000 0.043) 0.875 15.931 ( -0.743 0.000 -1.412) 1.596 15.964 ( -0.391 0.000 -0.124) 0.410 19.982 ( -13.364 0.000 -0.003) 13.364 20.010 ( 0.863 0.000 -0.889) 1.239 20.068 ( -0.786 0.000 0.584) 0.979 20.094 ( 1.034 0.000 -0.392) 1.106 20.841 ( -0.236 0.000 1.700) 1.716 20.929 ( -0.008 0.000 -0.543) 0.543 21.097 ( -2.657 0.000 3.801) 4.637 21.173 ( 0.120 0.000 1.476) 1.481 21.266 ( 1.877 0.000 -2.382) 3.033 21.349 ( -1.040 0.000 -1.506) 1.830 21.691 ( 0.325 0.000 1.430) 1.466 21.749 ( -0.631 0.000 0.746) 0.977 21.808 ( 0.942 0.000 1.337) 1.635 21.898 ( -0.962 0.000 -0.029) 0.962 22.587 ( 2.017 0.000 3.006) 3.620 22.805 ( 1.971 0.000 0.256) 1.987 22.895 ( -2.399 0.000 -3.374) 4.140 22.921 ( 0.191 0.000 -2.765) 2.772 23.060 ( 1.355 0.000 -3.155) 3.433 23.115 ( 0.086 0.000 -2.869) 2.870 23.418 ( 2.651 0.000 10.132) 10.473 23.924 ( 0.265 0.000 -4.257) 4.265 24.743 ( 13.870 0.000 0.085) 13.870 24.789 ( -0.461 0.000 -1.017) 1.116 26.139 ( -0.007 0.000 0.009) 0.012 26.145 ( -4.594 0.000 -0.132) 4.596 26.175 ( -0.595 0.000 0.169) 0.618 26.181 ( 0.639 0.000 0.038) 0.640 ======================= Grid point 36 (14/54) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 14.671 0.000 17.878) 23.127 1.009 ( 21.310 0.000 23.911) 32.029 1.498 ( -5.454 0.000 -17.681) 18.503 1.558 ( 41.450 0.000 20.152) 46.089 1.989 ( 9.517 0.000 -10.356) 14.065 2.086 ( 9.384 0.000 -14.158) 16.986 2.139 ( 1.144 0.000 -6.528) 6.627 2.236 ( 2.434 0.000 -7.226) 7.624 2.379 ( 0.077 0.000 1.299) 1.301 2.481 ( -3.105 0.000 3.884) 4.973 2.561 ( 2.957 0.000 1.126) 3.164 2.627 ( 5.428 0.000 4.020) 6.755 2.674 ( 0.455 0.000 -2.737) 2.774 2.704 ( -0.507 0.000 2.755) 2.801 2.742 ( -0.343 0.000 1.452) 1.492 2.821 ( 1.145 0.000 -0.348) 1.197 2.844 ( 1.010 0.000 1.754) 2.024 2.881 ( 1.993 0.000 5.922) 6.248 2.987 ( 1.199 0.000 -0.360) 1.251 3.042 ( -4.085 0.000 -4.308) 5.937 3.051 ( 2.014 0.000 -2.115) 2.920 3.127 ( 3.189 0.000 7.361) 8.022 3.135 ( 4.937 0.000 -1.401) 5.132 3.318 ( 8.035 0.000 1.949) 8.268 3.322 ( -1.875 0.000 0.553) 1.955 3.370 ( -2.489 0.000 -0.478) 2.535 3.451 ( -3.825 0.000 4.383) 5.817 3.451 ( -4.781 0.000 1.030) 4.890 3.583 ( 4.019 0.000 -6.093) 7.299 3.635 ( 1.540 0.000 -7.947) 8.095 3.651 ( -2.489 0.000 -4.837) 5.440 3.710 ( -5.116 0.000 -2.866) 5.864 3.727 ( -9.917 0.000 2.854) 10.320 3.924 ( 6.905 0.000 1.513) 7.069 3.934 ( -1.499 0.000 7.395) 7.546 4.005 ( 7.278 0.000 -7.074) 10.149 4.155 ( 2.003 0.000 -0.719) 2.128 4.293 ( 0.763 0.000 0.828) 1.126 4.334 ( 7.360 0.000 -4.412) 8.581 4.432 ( -8.719 0.000 1.754) 8.894 4.489 ( -1.924 0.000 0.370) 1.959 4.620 ( 5.082 0.000 -0.481) 5.104 4.656 ( 1.105 0.000 -2.577) 2.804 4.688 ( 7.446 0.000 7.523) 10.585 4.760 ( -7.395 0.000 -1.867) 7.627 4.799 ( -3.419 0.000 -4.086) 5.327 4.896 ( -3.918 0.000 -0.065) 3.918 4.950 ( 2.042 0.000 0.139) 2.047 5.009 ( 2.644 0.000 -3.676) 4.528 5.014 ( -2.938 0.000 -6.926) 7.524 5.106 ( 8.239 0.000 0.979) 8.297 5.193 ( -12.204 0.000 1.716) 12.324 5.246 ( 6.247 0.000 -4.683) 7.808 5.255 ( 0.354 0.000 2.710) 2.733 5.360 ( 0.793 0.000 -1.131) 1.381 5.435 ( -3.471 0.000 2.351) 4.192 5.464 ( -5.168 0.000 -3.119) 6.037 5.482 ( 3.437 0.000 1.604) 3.793 5.561 ( 0.686 0.000 2.751) 2.835 5.736 ( -4.164 0.000 -0.972) 4.276 5.784 ( -10.299 0.000 -7.013) 12.460 5.852 ( -1.340 0.000 -5.354) 5.519 5.954 ( -1.813 0.000 4.628) 4.970 5.987 ( -4.449 0.000 -1.631) 4.738 6.194 ( -10.096 0.000 -0.530) 10.110 6.253 ( -5.928 0.000 5.978) 8.419 6.379 ( -11.974 0.000 5.697) 13.260 6.430 ( -8.023 0.000 3.138) 8.615 6.560 ( -0.168 0.000 -0.670) 0.691 6.631 ( -1.347 0.000 -2.624) 2.950 6.711 ( -1.104 0.000 -0.512) 1.217 6.711 ( -0.744 0.000 8.901) 8.932 6.912 ( 2.398 0.000 4.601) 5.188 6.947 ( -1.856 0.000 -0.538) 1.933 7.063 ( 2.739 0.000 -6.229) 6.805 7.087 ( 0.002 0.000 0.563) 0.563 7.201 ( -2.492 0.000 -0.178) 2.499 7.292 ( 1.445 0.000 1.381) 1.999 7.354 ( -1.584 0.000 -1.465) 2.157 7.582 ( 5.349 0.000 -4.902) 7.255 7.612 ( -0.559 0.000 13.296) 13.308 7.836 ( -2.464 0.000 2.147) 3.268 7.877 ( -8.898 0.000 6.118) 10.798 8.000 ( -0.545 0.000 -1.886) 1.963 8.300 ( 1.433 0.000 0.499) 1.517 8.305 ( 0.813 0.000 -2.621) 2.744 8.399 ( 2.384 0.000 3.084) 3.898 8.497 ( 4.793 0.000 -3.589) 5.988 8.507 ( 9.855 0.000 -1.756) 10.011 8.640 ( -1.775 0.000 -1.626) 2.407 8.663 ( -1.353 0.000 -1.160) 1.783 8.743 ( -0.837 0.000 -3.397) 3.498 8.898 ( 0.656 0.000 -0.881) 1.098 8.940 ( 4.478 0.000 -4.040) 6.032 9.021 ( -0.252 0.000 -2.289) 2.303 9.032 ( -5.015 0.000 -3.842) 6.318 9.129 ( 2.902 0.000 5.787) 6.474 9.144 ( 10.065 0.000 -3.456) 10.642 9.245 ( -4.793 0.000 9.563) 10.696 9.264 ( -1.667 0.000 -0.091) 1.669 9.274 ( 4.276 0.000 -2.196) 4.807 9.360 ( 2.125 0.000 5.797) 6.175 9.391 ( -1.307 0.000 -5.050) 5.217 9.663 ( -0.845 0.000 -6.724) 6.777 9.753 ( -2.442 0.000 5.517) 6.034 9.843 ( -4.034 0.000 6.729) 7.845 10.017 ( -3.911 0.000 -0.467) 3.939 10.021 ( -3.077 0.000 4.071) 5.103 10.127 ( -3.343 0.000 1.845) 3.818 10.247 ( -4.850 0.000 -0.247) 4.856 10.341 ( 8.985 0.000 2.677) 9.376 10.385 ( 0.509 0.000 -3.320) 3.358 10.626 ( -2.457 0.000 -1.577) 2.920 10.701 ( -6.951 0.000 -0.031) 6.951 10.875 ( -2.558 0.000 -1.661) 3.050 11.014 ( -2.248 0.000 0.573) 2.320 11.031 ( -1.320 0.000 -6.053) 6.195 11.099 ( -1.479 0.000 -3.997) 4.262 11.252 ( -0.121 0.000 9.632) 9.633 11.414 ( 1.675 0.000 -1.237) 2.082 11.582 ( 8.608 0.000 0.083) 8.608 11.665 ( 1.280 0.000 -2.445) 2.760 11.761 ( 10.920 0.000 1.817) 11.070 11.814 ( 7.892 0.000 -6.599) 10.287 11.866 ( 11.032 0.000 5.466) 12.311 11.968 ( 3.254 0.000 -4.299) 5.391 12.089 ( 3.328 0.000 -0.595) 3.381 12.236 ( 12.929 0.000 9.669) 16.145 12.254 ( 5.018 0.000 -8.193) 9.608 12.445 ( 25.525 0.000 -5.053) 26.021 12.637 ( -1.646 0.000 -7.179) 7.366 12.822 ( -1.865 0.000 -12.577) 12.715 12.853 ( -0.337 0.000 2.098) 2.125 12.955 ( 4.205 0.000 0.868) 4.293 12.997 ( 3.079 0.000 -6.138) 6.867 13.342 ( 6.746 0.000 -1.918) 7.013 13.439 ( 1.962 0.000 -0.777) 2.110 13.562 ( 0.320 0.000 5.399) 5.409 13.820 ( 10.441 0.000 1.976) 10.626 13.979 ( 20.276 0.000 -10.337) 22.759 14.209 ( -5.201 0.000 3.646) 6.352 14.376 ( -6.908 0.000 7.202) 9.980 14.415 ( -0.847 0.000 -4.253) 4.337 14.756 ( -6.199 0.000 -4.369) 7.584 14.792 ( -3.828 0.000 -0.031) 3.829 15.002 ( 1.977 0.000 0.297) 1.999 15.270 ( -10.570 0.000 9.681) 14.333 15.607 ( -3.050 0.000 -2.487) 3.935 15.756 ( -5.976 0.000 3.713) 7.035 15.843 ( -7.082 0.000 -2.429) 7.487 15.872 ( -6.225 0.000 0.958) 6.298 15.884 ( -7.247 0.000 -1.115) 7.332 20.044 ( 10.722 0.000 -6.629) 12.605 20.066 ( 5.069 0.000 0.512) 5.094 20.084 ( 2.290 0.000 0.147) 2.295 20.153 ( 6.515 0.000 -1.263) 6.636 20.863 ( 1.139 0.000 2.024) 2.323 20.937 ( 1.376 0.000 -0.564) 1.487 21.094 ( -0.084 0.000 2.705) 2.706 21.182 ( -0.700 0.000 2.903) 2.986 21.230 ( -2.693 0.000 -1.526) 3.095 21.407 ( 6.293 0.000 -2.189) 6.662 21.692 ( -1.234 0.000 1.681) 2.086 21.725 ( -2.304 0.000 0.204) 2.313 21.879 ( 5.228 0.000 2.976) 6.016 21.882 ( 0.304 0.000 -1.357) 1.391 22.660 ( 2.611 0.000 5.463) 6.055 22.794 ( -5.773 0.000 -4.440) 7.283 22.863 ( 2.999 0.000 0.763) 3.094 22.884 ( -1.058 0.000 -4.859) 4.973 23.049 ( -4.358 0.000 -2.729) 5.142 23.060 ( 1.927 0.000 -4.501) 4.896 23.399 ( -10.542 0.000 13.112) 16.824 23.840 ( -5.017 0.000 -5.418) 7.384 24.329 ( -33.538 0.000 23.531) 40.970 24.659 ( -11.896 0.000 -3.682) 12.453 26.166 ( 2.091 0.000 0.532) 2.158 26.201 ( 3.381 0.000 0.436) 3.409 26.218 ( 3.708 0.000 -0.059) 3.708 26.353 ( 12.791 0.000 -9.171) 15.739 ======================= Grid point 37 (15/54) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 23.545 0.000 7.132) 24.602 1.399 ( 5.843 0.000 -10.999) 12.455 1.579 ( 25.397 0.000 17.154) 30.647 2.011 ( -1.963 0.000 0.085) 1.965 2.113 ( 6.426 0.000 -12.254) 13.837 2.222 ( 10.508 0.000 -6.763) 12.497 2.260 ( 5.572 0.000 -12.934) 14.083 2.270 ( 16.337 0.000 5.606) 17.272 2.447 ( 3.131 0.000 -0.760) 3.222 2.479 ( 9.610 0.000 1.087) 9.671 2.572 ( -6.844 0.000 -0.220) 6.848 2.649 ( -0.327 0.000 -0.829) 0.891 2.693 ( 7.540 0.000 1.318) 7.654 2.747 ( -4.773 0.000 -1.031) 4.883 2.784 ( 5.612 0.000 2.047) 5.973 2.825 ( 0.562 0.000 3.691) 3.734 2.857 ( -9.490 0.000 -2.047) 9.708 2.902 ( 3.685 0.000 0.483) 3.716 2.974 ( -0.776 0.000 3.203) 3.296 3.034 ( 1.093 0.000 -3.357) 3.530 3.136 ( 10.492 0.000 12.893) 16.623 3.207 ( -1.606 0.000 0.318) 1.637 3.258 ( -1.573 0.000 0.622) 1.692 3.278 ( 0.602 0.000 -2.507) 2.579 3.327 ( 1.798 0.000 -2.935) 3.442 3.356 ( 2.348 0.000 3.398) 4.130 3.421 ( -2.411 0.000 7.609) 7.982 3.481 ( 3.872 0.000 2.416) 4.564 3.532 ( -3.137 0.000 0.196) 3.143 3.539 ( -5.211 0.000 -5.431) 7.527 3.643 ( 4.880 0.000 -5.070) 7.037 3.736 ( 9.702 0.000 -7.698) 12.385 3.754 ( 9.364 0.000 2.934) 9.812 3.955 ( -2.436 0.000 9.186) 9.503 3.986 ( -1.591 0.000 -1.777) 2.385 4.107 ( 6.837 0.000 -2.266) 7.203 4.136 ( -0.780 0.000 -0.943) 1.224 4.312 ( 1.942 0.000 -4.140) 4.573 4.392 ( 2.003 0.000 -0.435) 2.049 4.422 ( -1.271 0.000 3.891) 4.093 4.478 ( 3.006 0.000 0.528) 3.052 4.490 ( -12.222 0.000 2.687) 12.514 4.637 ( 2.286 0.000 -0.273) 2.302 4.687 ( -8.064 0.000 0.643) 8.089 4.740 ( 2.773 0.000 -4.399) 5.200 4.854 ( 1.480 0.000 -4.523) 4.759 4.869 ( -2.996 0.000 -0.890) 3.126 4.924 ( -10.756 0.000 -5.191) 11.944 4.947 ( 1.354 0.000 0.439) 1.423 4.998 ( 1.395 0.000 1.756) 2.243 5.049 ( 1.357 0.000 1.481) 2.008 5.132 ( -15.057 0.000 -3.968) 15.572 5.228 ( -0.145 0.000 -0.288) 0.323 5.299 ( 2.558 0.000 3.630) 4.441 5.340 ( 2.607 0.000 -0.406) 2.639 5.360 ( -2.819 0.000 0.277) 2.833 5.435 ( 6.193 0.000 -8.552) 10.559 5.484 ( -2.817 0.000 -0.543) 2.869 5.611 ( 2.539 0.000 -4.517) 5.181 5.652 ( -2.879 0.000 0.877) 3.010 5.679 ( 3.246 0.000 0.869) 3.361 5.787 ( -2.192 0.000 -3.624) 4.235 5.904 ( -3.801 0.000 -1.866) 4.234 5.943 ( 0.298 0.000 1.075) 1.115 6.000 ( -9.399 0.000 0.978) 9.450 6.125 ( -12.378 0.000 6.898) 14.170 6.209 ( -9.540 0.000 2.171) 9.784 6.259 ( -11.831 0.000 2.418) 12.075 6.515 ( -6.428 0.000 1.820) 6.681 6.568 ( -3.096 0.000 -4.396) 5.377 6.689 ( 0.243 0.000 -0.356) 0.431 6.739 ( -4.375 0.000 11.281) 12.099 6.921 ( 1.181 0.000 -3.589) 3.778 6.971 ( 0.111 0.000 4.003) 4.005 7.068 ( 1.336 0.000 -0.911) 1.617 7.078 ( 1.236 0.000 -2.729) 2.996 7.263 ( 5.116 0.000 3.626) 6.271 7.284 ( -3.088 0.000 -3.618) 4.757 7.330 ( -0.756 0.000 3.328) 3.413 7.579 ( 0.775 0.000 -10.518) 10.546 7.670 ( -1.766 0.000 10.561) 10.707 7.778 ( -5.972 0.000 3.869) 7.116 7.806 ( -1.888 0.000 0.920) 2.100 7.948 ( -3.296 0.000 -0.743) 3.379 8.305 ( -1.447 0.000 1.050) 1.788 8.309 ( 1.837 0.000 -0.697) 1.965 8.522 ( 0.869 0.000 -4.288) 4.375 8.542 ( 5.042 0.000 4.916) 7.042 8.612 ( 0.473 0.000 -0.764) 0.898 8.667 ( 1.877 0.000 1.750) 2.566 8.689 ( 5.294 0.000 -3.061) 6.115 8.717 ( 3.748 0.000 -2.780) 4.666 8.875 ( -3.377 0.000 1.383) 3.649 8.890 ( 1.770 0.000 -3.075) 3.548 9.026 ( 3.345 0.000 -4.330) 5.472 9.074 ( 4.341 0.000 -2.386) 4.953 9.162 ( -2.576 0.000 5.018) 5.640 9.226 ( -1.084 0.000 5.365) 5.473 9.228 ( -0.692 0.000 5.681) 5.723 9.302 ( 0.475 0.000 -3.287) 3.322 9.315 ( 2.562 0.000 -3.045) 3.980 9.386 ( 4.630 0.000 3.688) 5.919 9.458 ( 7.702 0.000 -0.735) 7.737 9.623 ( -1.150 0.000 0.169) 1.162 9.740 ( -0.894 0.000 0.912) 1.277 9.861 ( 2.137 0.000 2.881) 3.587 9.950 ( -1.724 0.000 -2.162) 2.765 9.969 ( -5.860 0.000 4.521) 7.402 10.052 ( -4.842 0.000 -0.281) 4.850 10.180 ( -3.909 0.000 4.975) 6.327 10.290 ( -6.819 0.000 -3.512) 7.671 10.467 ( -3.273 0.000 -3.868) 5.067 10.599 ( 0.592 0.000 -1.877) 1.969 10.645 ( 6.917 0.000 -3.641) 7.817 10.811 ( -3.052 0.000 -1.202) 3.280 10.947 ( -2.589 0.000 -6.154) 6.676 10.972 ( -4.269 0.000 8.230) 9.271 11.106 ( 3.887 0.000 1.316) 4.104 11.314 ( -0.009 0.000 8.835) 8.835 11.394 ( -2.382 0.000 1.570) 2.853 11.739 ( 5.638 0.000 1.155) 5.756 11.755 ( 9.808 0.000 -3.128) 10.295 11.925 ( 6.570 0.000 -10.680) 12.539 11.951 ( 7.343 0.000 1.821) 7.565 12.013 ( 6.388 0.000 -2.506) 6.862 12.088 ( 9.238 0.000 1.697) 9.392 12.203 ( 6.244 0.000 4.758) 7.851 12.257 ( 1.807 0.000 -8.804) 8.987 12.491 ( 4.240 0.000 5.352) 6.828 12.500 ( -3.980 0.000 -9.985) 10.749 12.693 ( -0.069 0.000 -7.341) 7.341 12.841 ( 18.715 0.000 -2.306) 18.857 12.930 ( 9.147 0.000 1.574) 9.281 13.078 ( 7.822 0.000 2.240) 8.136 13.090 ( 9.484 0.000 -7.141) 11.872 13.416 ( -0.327 0.000 -1.432) 1.468 13.516 ( 11.340 0.000 -4.056) 12.044 13.637 ( 1.485 0.000 8.298) 8.430 13.962 ( 5.835 0.000 -4.919) 7.632 14.142 ( -7.435 0.000 6.663) 9.984 14.233 ( 12.373 0.000 -6.059) 13.777 14.273 ( -7.573 0.000 8.919) 11.700 14.351 ( -4.676 0.000 -2.911) 5.508 14.565 ( -8.031 0.000 -5.614) 9.799 14.738 ( -1.634 0.000 -1.100) 1.970 15.046 ( 2.596 0.000 2.001) 3.278 15.163 ( -8.697 0.000 9.945) 13.211 15.473 ( -10.467 0.000 -2.478) 10.756 15.642 ( -7.984 0.000 2.467) 8.356 15.677 ( -7.925 0.000 -3.313) 8.590 15.735 ( -8.652 0.000 1.377) 8.761 15.739 ( -5.831 0.000 -2.264) 6.255 20.136 ( 3.524 0.000 -0.317) 3.538 20.159 ( 6.231 0.000 -4.113) 7.467 20.186 ( 5.612 0.000 2.844) 6.291 20.297 ( 10.599 0.000 -5.648) 12.010 20.909 ( 2.182 0.000 2.777) 3.532 20.978 ( 3.508 0.000 0.195) 3.514 21.120 ( 1.045 0.000 1.879) 2.151 21.173 ( -2.554 0.000 -1.173) 2.810 21.186 ( -1.881 0.000 5.552) 5.862 21.480 ( 2.035 0.000 -2.211) 3.005 21.671 ( -2.115 0.000 1.382) 2.527 21.679 ( -2.134 0.000 -0.542) 2.202 21.929 ( 6.971 0.000 -1.540) 7.139 22.029 ( 8.764 0.000 2.966) 9.252 22.627 ( -9.582 0.000 -3.987) 10.379 22.698 ( -5.395 0.000 4.203) 6.839 22.832 ( -0.567 0.000 -5.867) 5.894 22.886 ( 1.149 0.000 1.244) 1.694 22.981 ( -1.128 0.000 -3.090) 3.289 23.068 ( 3.425 0.000 -8.119) 8.812 23.276 ( -11.632 0.000 14.141) 18.311 23.740 ( -0.197 0.000 -4.173) 4.178 23.992 ( -21.791 0.000 20.433) 29.873 24.345 ( -17.013 0.000 -8.175) 18.875 26.209 ( 2.162 0.000 0.413) 2.201 26.282 ( 3.607 0.000 2.229) 4.240 26.297 ( 4.600 0.000 -0.291) 4.609 26.450 ( 4.690 0.000 -5.925) 7.556 ======================= Grid point 38 (16/54) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 11.227 0.000 0.459) 11.236 1.612 ( 19.734 0.000 -0.453) 19.739 1.972 ( -3.398 0.000 4.674) 5.779 2.038 ( -15.254 0.000 2.087) 15.396 2.119 ( 21.346 0.000 12.379) 24.675 2.263 ( 7.226 0.000 -9.817) 12.190 2.270 ( 2.136 0.000 -13.118) 13.290 2.430 ( 8.680 0.000 -5.067) 10.050 2.452 ( -14.925 0.000 -0.784) 14.946 2.512 ( 1.296 0.000 2.195) 2.549 2.640 ( 7.134 0.000 1.584) 7.307 2.644 ( 3.117 0.000 0.830) 3.226 2.659 ( 3.673 0.000 0.182) 3.678 2.783 ( 1.879 0.000 2.985) 3.527 2.807 ( -0.484 0.000 1.610) 1.681 2.840 ( -0.380 0.000 -0.897) 0.975 2.881 ( -0.052 0.000 0.296) 0.300 2.957 ( -3.730 0.000 5.395) 6.559 2.966 ( 1.142 0.000 2.394) 2.653 3.050 ( 4.961 0.000 -1.389) 5.152 3.105 ( -7.223 0.000 -4.647) 8.589 3.152 ( -3.985 0.000 3.103) 5.051 3.220 ( 0.902 0.000 -3.836) 3.941 3.223 ( -3.318 0.000 0.081) 3.319 3.360 ( -1.496 0.000 -1.234) 1.939 3.374 ( -5.216 0.000 -5.140) 7.323 3.483 ( 0.549 0.000 -0.133) 0.564 3.509 ( 2.911 0.000 3.861) 4.836 3.665 ( 12.494 0.000 9.076) 15.442 3.700 ( 0.519 0.000 2.549) 2.601 3.710 ( 14.831 0.000 2.651) 15.066 3.842 ( 5.320 0.000 -4.961) 7.274 3.895 ( -1.327 0.000 4.729) 4.912 3.951 ( 3.278 0.000 -5.572) 6.464 4.063 ( 8.733 0.000 6.019) 10.607 4.109 ( -14.400 0.000 2.454) 14.608 4.154 ( 2.988 0.000 -1.050) 3.168 4.204 ( 4.742 0.000 -3.138) 5.687 4.324 ( -27.655 0.000 -1.808) 27.714 4.401 ( -2.524 0.000 -0.060) 2.525 4.435 ( 6.590 0.000 -4.643) 8.062 4.505 ( -4.375 0.000 5.353) 6.913 4.603 ( -3.023 0.000 -1.161) 3.239 4.634 ( 9.506 0.000 -0.840) 9.543 4.687 ( -1.453 0.000 -9.309) 9.422 4.723 ( 5.175 0.000 0.033) 5.175 4.805 ( 1.195 0.000 -1.349) 1.802 4.835 ( -5.100 0.000 -1.000) 5.197 4.939 ( -2.148 0.000 5.483) 5.889 4.970 ( -1.992 0.000 -1.549) 2.524 5.017 ( 1.653 0.000 -2.820) 3.268 5.116 ( -12.097 0.000 1.899) 12.246 5.224 ( 8.565 0.000 -4.658) 9.750 5.235 ( -3.618 0.000 -0.326) 3.633 5.390 ( 3.902 0.000 -2.093) 4.428 5.414 ( 6.202 0.000 0.365) 6.213 5.496 ( 3.590 0.000 1.633) 3.944 5.524 ( 5.992 0.000 3.148) 6.768 5.622 ( 2.446 0.000 -3.941) 4.639 5.668 ( -1.487 0.000 0.843) 1.709 5.717 ( -1.521 0.000 0.903) 1.769 5.787 ( 1.032 0.000 2.181) 2.413 5.858 ( -0.283 0.000 -1.828) 1.850 5.899 ( -7.280 0.000 -0.205) 7.283 5.906 ( 0.271 0.000 0.401) 0.484 5.957 ( -4.875 0.000 -0.478) 4.899 6.073 ( -8.817 0.000 0.784) 8.852 6.116 ( -1.250 0.000 3.767) 3.969 6.366 ( -8.443 0.000 -0.908) 8.492 6.459 ( -4.919 0.000 -5.700) 7.529 6.703 ( -5.438 0.000 7.723) 9.445 6.718 ( 2.573 0.000 0.214) 2.582 6.949 ( 3.306 0.000 -1.267) 3.541 6.985 ( -0.666 0.000 2.869) 2.945 7.094 ( 1.456 0.000 -1.203) 1.889 7.110 ( 2.030 0.000 3.180) 3.772 7.187 ( -3.162 0.000 -4.779) 5.730 7.337 ( -0.872 0.000 3.324) 3.437 7.339 ( -0.543 0.000 2.849) 2.900 7.538 ( 3.306 0.000 -9.438) 10.000 7.679 ( -3.836 0.000 3.293) 5.056 7.714 ( -3.346 0.000 6.871) 7.643 7.778 ( -1.253 0.000 -0.229) 1.274 7.894 ( -1.039 0.000 -2.021) 2.273 8.269 ( -2.130 0.000 -0.994) 2.351 8.355 ( 4.097 0.000 -3.525) 5.405 8.448 ( -3.825 0.000 -0.842) 3.917 8.620 ( 0.756 0.000 3.302) 3.387 8.623 ( 0.654 0.000 -1.475) 1.614 8.682 ( 1.503 0.000 -2.664) 3.059 8.767 ( 3.968 0.000 6.579) 7.683 8.827 ( 3.464 0.000 3.716) 5.080 8.886 ( -1.681 0.000 6.372) 6.590 8.906 ( 3.143 0.000 -7.844) 8.450 9.033 ( 1.228 0.000 1.989) 2.338 9.089 ( -0.230 0.000 -1.327) 1.346 9.178 ( -5.262 0.000 -0.760) 5.317 9.204 ( -0.758 0.000 1.182) 1.404 9.247 ( -0.832 0.000 2.059) 2.221 9.307 ( 6.654 0.000 -1.715) 6.872 9.310 ( 1.019 0.000 -2.400) 2.607 9.531 ( 3.559 0.000 8.353) 9.080 9.533 ( 0.101 0.000 1.794) 1.797 9.718 ( 7.517 0.000 3.532) 8.305 9.758 ( 3.320 0.000 0.001) 3.320 9.853 ( -7.334 0.000 1.048) 7.409 9.882 ( -2.019 0.000 0.340) 2.047 9.972 ( 5.860 0.000 -2.613) 6.416 9.979 ( -4.487 0.000 1.995) 4.910 10.128 ( -6.101 0.000 -1.434) 6.267 10.153 ( -3.308 0.000 6.075) 6.917 10.352 ( -5.549 0.000 -0.816) 5.609 10.586 ( -2.129 0.000 -5.954) 6.324 10.689 ( 3.385 0.000 -15.176) 15.549 10.755 ( 1.137 0.000 -2.035) 2.331 10.931 ( 2.232 0.000 1.926) 2.949 10.978 ( -1.116 0.000 4.568) 4.702 11.237 ( 5.049 0.000 9.779) 11.005 11.351 ( -1.809 0.000 7.453) 7.670 11.370 ( -4.018 0.000 6.859) 7.949 11.784 ( -1.163 0.000 -7.298) 7.390 11.867 ( 4.815 0.000 -4.286) 6.446 11.933 ( 5.499 0.000 -8.024) 9.727 12.040 ( 2.066 0.000 -0.784) 2.210 12.150 ( 6.991 0.000 -1.033) 7.067 12.174 ( 1.099 0.000 -2.383) 2.624 12.227 ( 1.027 0.000 -6.181) 6.266 12.284 ( -1.665 0.000 -2.414) 2.932 12.429 ( 2.391 0.000 -2.154) 3.218 12.472 ( -0.842 0.000 0.987) 1.298 12.779 ( 5.775 0.000 3.165) 6.585 13.038 ( 2.380 0.000 -6.068) 6.519 13.100 ( 7.142 0.000 -3.168) 7.813 13.214 ( 7.131 0.000 -2.798) 7.660 13.271 ( 11.827 0.000 2.418) 12.071 13.410 ( 1.300 0.000 1.917) 2.316 13.635 ( -7.726 0.000 5.058) 9.234 13.741 ( 14.494 0.000 -3.981) 15.031 13.949 ( -4.364 0.000 -8.184) 9.274 14.038 ( -4.406 0.000 8.343) 9.435 14.114 ( -12.746 0.000 -5.865) 14.031 14.257 ( -2.469 0.000 7.733) 8.118 14.371 ( 2.422 0.000 1.247) 2.725 14.513 ( 5.286 0.000 -3.446) 6.310 14.737 ( 1.091 0.000 1.249) 1.658 15.074 ( -7.349 0.000 8.165) 10.986 15.140 ( 4.049 0.000 2.941) 5.004 15.246 ( -8.777 0.000 -1.169) 8.854 15.534 ( -3.827 0.000 -0.020) 3.827 15.557 ( -1.990 0.000 -3.254) 3.815 15.607 ( -5.823 0.000 1.107) 5.928 15.662 ( -1.038 0.000 -2.730) 2.921 20.189 ( 2.219 0.000 -0.411) 2.257 20.220 ( 2.725 0.000 -2.666) 3.812 20.270 ( 0.662 0.000 3.372) 3.436 20.445 ( 9.352 0.000 -4.752) 10.490 20.978 ( 3.025 0.000 3.851) 4.897 21.059 ( 3.070 0.000 1.608) 3.465 21.128 ( -0.927 0.000 -0.050) 0.928 21.150 ( 0.934 0.000 1.857) 2.078 21.185 ( -3.477 0.000 9.014) 9.662 21.459 ( -1.123 0.000 -2.511) 2.751 21.641 ( -1.731 0.000 0.905) 1.953 21.654 ( -0.177 0.000 -0.572) 0.599 22.103 ( 11.051 0.000 -0.412) 11.059 22.199 ( 6.627 0.000 -0.988) 6.700 22.416 ( -9.126 0.000 -2.724) 9.524 22.518 ( -12.339 0.000 -0.884) 12.371 22.796 ( 0.624 0.000 -4.370) 4.414 22.905 ( -3.122 0.000 -5.360) 6.203 22.978 ( 4.480 0.000 3.422) 5.637 23.080 ( 4.781 0.000 -11.392) 12.354 23.183 ( -7.410 0.000 11.598) 13.763 23.757 ( -17.301 0.000 14.980) 22.885 23.801 ( 4.949 0.000 -2.484) 5.538 24.018 ( -7.593 0.000 -8.751) 11.585 26.242 ( 0.940 0.000 0.643) 1.139 26.338 ( 0.541 0.000 2.543) 2.600 26.357 ( 1.851 0.000 -1.514) 2.391 26.484 ( 2.956 0.000 -2.554) 3.907 ======================= Grid point 39 (17/54) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -25.312 0.000 2.423) 25.427 1.711 ( 0.625 0.000 -0.163) 0.646 1.816 ( -18.256 0.000 5.213) 18.985 1.866 ( 9.562 0.000 -6.634) 11.638 2.074 ( -5.087 0.000 7.668) 9.202 2.365 ( 3.885 0.000 -8.871) 9.684 2.366 ( 0.817 0.000 -2.349) 2.487 2.445 ( 2.443 0.000 2.019) 3.170 2.591 ( 13.435 0.000 4.776) 14.258 2.628 ( -2.212 0.000 -1.073) 2.459 2.654 ( 5.529 0.000 -2.558) 6.092 2.670 ( -0.701 0.000 -0.576) 0.907 2.692 ( 0.542 0.000 1.107) 1.232 2.789 ( -3.958 0.000 6.863) 7.922 2.794 ( -3.955 0.000 3.270) 5.132 2.854 ( -1.321 0.000 -3.610) 3.844 2.866 ( 4.645 0.000 1.684) 4.941 2.891 ( -6.378 0.000 3.666) 7.357 2.977 ( -0.077 0.000 -0.983) 0.986 2.979 ( 1.181 0.000 -7.948) 8.035 3.106 ( -1.304 0.000 1.944) 2.341 3.161 ( -9.035 0.000 -6.860) 11.345 3.180 ( 2.645 0.000 3.572) 4.444 3.209 ( -1.456 0.000 0.403) 1.510 3.312 ( 1.541 0.000 -0.064) 1.542 3.331 ( -0.043 0.000 3.351) 3.352 3.447 ( -11.205 0.000 -1.909) 11.366 3.563 ( -11.976 0.000 1.294) 12.046 3.631 ( 8.713 0.000 2.978) 9.208 3.689 ( -1.079 0.000 0.874) 1.388 3.706 ( -15.502 0.000 0.499) 15.510 3.814 ( -4.450 0.000 -5.129) 6.790 3.816 ( -9.915 0.000 0.913) 9.957 4.016 ( 4.299 0.000 -0.978) 4.409 4.063 ( 10.796 0.000 6.755) 12.735 4.080 ( 4.411 0.000 1.310) 4.601 4.186 ( -0.555 0.000 -0.462) 0.722 4.212 ( 7.419 0.000 -8.497) 11.280 4.289 ( 6.288 0.000 -1.156) 6.393 4.405 ( 0.869 0.000 1.717) 1.925 4.439 ( -10.574 0.000 1.911) 10.745 4.493 ( 1.898 0.000 9.138) 9.333 4.546 ( -8.144 0.000 -11.713) 14.266 4.652 ( -0.640 0.000 -2.025) 2.124 4.723 ( 5.031 0.000 -2.885) 5.799 4.744 ( 1.704 0.000 3.488) 3.882 4.874 ( 12.423 0.000 -4.202) 13.115 4.909 ( -8.313 0.000 0.749) 8.347 4.914 ( -1.696 0.000 -3.042) 3.482 4.973 ( 11.460 0.000 3.633) 12.022 5.047 ( 4.941 0.000 1.066) 5.055 5.053 ( 6.475 0.000 4.663) 7.980 5.193 ( -0.377 0.000 -0.523) 0.645 5.322 ( 6.659 0.000 -2.035) 6.963 5.431 ( -10.102 0.000 -1.563) 10.222 5.481 ( 5.197 0.000 -3.293) 6.152 5.548 ( 2.071 0.000 -3.483) 4.053 5.593 ( -4.006 0.000 1.380) 4.237 5.614 ( -2.506 0.000 2.499) 3.539 5.629 ( -7.434 0.000 -0.552) 7.455 5.714 ( 6.938 0.000 6.612) 9.584 5.727 ( 5.683 0.000 0.028) 5.683 5.870 ( 0.771 0.000 -0.245) 0.809 5.887 ( -4.299 0.000 -1.885) 4.694 5.933 ( 6.386 0.000 1.599) 6.583 5.956 ( 4.217 0.000 -3.768) 5.655 6.010 ( 2.172 0.000 0.654) 2.268 6.149 ( 0.353 0.000 5.236) 5.248 6.300 ( 4.562 0.000 -2.539) 5.221 6.359 ( -0.098 0.000 -7.076) 7.077 6.662 ( -2.864 0.000 2.564) 3.844 6.769 ( 1.607 0.000 2.629) 3.081 6.987 ( -0.711 0.000 1.642) 1.789 7.004 ( 3.038 0.000 -2.302) 3.812 7.103 ( -0.492 0.000 0.338) 0.597 7.138 ( 0.619 0.000 3.439) 3.494 7.176 ( 2.034 0.000 1.591) 2.582 7.292 ( -4.122 0.000 -0.061) 4.122 7.346 ( -0.745 0.000 4.186) 4.252 7.580 ( 5.629 0.000 -5.077) 7.580 7.594 ( -5.102 0.000 -1.473) 5.311 7.721 ( -1.642 0.000 5.542) 5.780 7.768 ( 0.350 0.000 -0.054) 0.354 7.887 ( 1.345 0.000 -2.873) 3.172 8.228 ( -0.790 0.000 -2.023) 2.172 8.377 ( -0.686 0.000 -2.797) 2.880 8.424 ( 2.851 0.000 0.089) 2.852 8.606 ( -0.886 0.000 -2.702) 2.844 8.657 ( 0.821 0.000 2.386) 2.523 8.715 ( 1.574 0.000 0.309) 1.604 8.821 ( -1.052 0.000 2.060) 2.313 8.850 ( -1.239 0.000 2.253) 2.572 8.896 ( -1.940 0.000 9.203) 9.405 8.940 ( 4.214 0.000 -4.160) 5.921 9.055 ( -4.653 0.000 -2.775) 5.417 9.077 ( -0.436 0.000 0.607) 0.747 9.101 ( 1.143 0.000 5.115) 5.241 9.180 ( 0.207 0.000 -1.264) 1.281 9.216 ( -3.494 0.000 -1.239) 3.707 9.317 ( 1.551 0.000 -3.303) 3.650 9.443 ( 2.042 0.000 6.743) 7.045 9.539 ( -6.047 0.000 4.348) 7.448 9.557 ( 0.630 0.000 3.210) 3.272 9.715 ( -9.036 0.000 2.555) 9.390 9.787 ( -2.901 0.000 2.654) 3.932 9.854 ( 4.356 0.000 2.935) 5.253 9.860 ( 0.167 0.000 0.890) 0.906 9.923 ( 0.553 0.000 -0.205) 0.589 10.061 ( 3.508 0.000 -0.964) 3.638 10.149 ( 5.846 0.000 -2.736) 6.454 10.152 ( 0.193 0.000 3.507) 3.513 10.304 ( 4.605 0.000 -1.997) 5.019 10.478 ( -1.392 0.000 -6.944) 7.082 10.616 ( -1.935 0.000 -8.625) 8.839 10.820 ( 3.619 0.000 2.189) 4.230 10.933 ( -4.446 0.000 -3.362) 5.574 11.019 ( 4.663 0.000 3.477) 5.816 11.319 ( -6.311 0.000 7.557) 9.845 11.348 ( -3.748 0.000 7.783) 8.638 11.381 ( 4.743 0.000 5.186) 7.028 11.696 ( -0.544 0.000 -5.451) 5.478 11.856 ( -2.376 0.000 -5.735) 6.207 11.982 ( 3.280 0.000 -6.077) 6.906 12.028 ( -3.163 0.000 1.092) 3.346 12.098 ( -9.475 0.000 -6.368) 11.416 12.183 ( -0.401 0.000 -7.067) 7.078 12.189 ( 0.168 0.000 -1.931) 1.938 12.254 ( 2.732 0.000 -2.262) 3.547 12.458 ( -3.757 0.000 0.240) 3.765 12.526 ( 4.765 0.000 0.832) 4.837 12.874 ( 0.779 0.000 5.881) 5.933 12.918 ( -5.369 0.000 -8.219) 9.817 13.134 ( -2.019 0.000 -1.837) 2.729 13.218 ( -5.778 0.000 -2.002) 6.115 13.324 ( -9.943 0.000 3.404) 10.510 13.485 ( 4.104 0.000 2.326) 4.717 13.588 ( 0.855 0.000 0.697) 1.103 13.683 ( -14.314 0.000 -6.947) 15.911 13.843 ( 1.969 0.000 -3.280) 3.826 13.995 ( -6.447 0.000 3.573) 7.371 14.148 ( 17.371 0.000 -5.402) 18.192 14.272 ( -0.029 0.000 5.720) 5.720 14.406 ( 0.777 0.000 1.484) 1.675 14.631 ( 8.181 0.000 -2.706) 8.617 14.772 ( 0.135 0.000 8.041) 8.042 15.025 ( -3.652 0.000 8.036) 8.827 15.034 ( -5.768 0.000 -2.725) 6.380 15.367 ( 10.443 0.000 3.118) 10.898 15.517 ( 2.027 0.000 -2.429) 3.163 15.562 ( 1.768 0.000 -0.323) 1.797 15.580 ( 6.182 0.000 -1.349) 6.327 15.663 ( 2.994 0.000 -2.345) 3.803 20.198 ( -1.240 0.000 -0.449) 1.319 20.219 ( -1.064 0.000 -2.051) 2.311 20.250 ( -4.366 0.000 2.243) 4.909 20.572 ( 7.540 0.000 -3.591) 8.352 21.037 ( -3.413 0.000 -0.012) 3.413 21.059 ( 2.691 0.000 4.107) 4.910 21.169 ( -3.391 0.000 8.959) 9.580 21.176 ( 2.116 0.000 2.091) 2.975 21.187 ( -1.271 0.000 6.641) 6.761 21.457 ( 2.664 0.000 -1.580) 3.098 21.626 ( -0.307 0.000 0.601) 0.675 21.665 ( 1.520 0.000 0.167) 1.529 22.104 ( -10.617 0.000 -2.690) 10.952 22.151 ( -10.010 0.000 1.542) 10.128 22.382 ( 4.474 0.000 -10.189) 11.128 22.425 ( 7.944 0.000 -5.165) 9.475 22.815 ( 2.640 0.000 1.180) 2.892 22.835 ( -0.363 0.000 -2.735) 2.759 23.037 ( -0.710 0.000 -0.055) 0.713 23.069 ( -1.220 0.000 -2.403) 2.695 23.200 ( 5.286 0.000 1.696) 5.552 23.554 ( -13.987 0.000 10.238) 17.333 23.712 ( -1.615 0.000 -6.844) 7.032 24.152 ( 16.547 0.000 -1.027) 16.579 26.246 ( -1.143 0.000 0.953) 1.488 26.333 ( -2.535 0.000 1.964) 3.207 26.337 ( -2.279 0.000 -2.026) 3.049 26.534 ( 3.448 0.000 -1.185) 3.646 ======================= Grid point 40 (18/54) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -30.696 0.000 1.980) 30.760 1.264 ( -31.571 0.000 3.783) 31.797 1.839 ( 3.009 0.000 -3.788) 4.837 1.898 ( -8.209 0.000 -1.622) 8.368 2.082 ( -1.290 0.000 9.549) 9.636 2.154 ( -22.465 0.000 -1.727) 22.531 2.325 ( -3.861 0.000 -3.967) 5.535 2.454 ( -2.483 0.000 0.608) 2.556 2.537 ( -2.568 0.000 -4.360) 5.060 2.544 ( -9.345 0.000 -1.812) 9.520 2.589 ( -5.079 0.000 -0.761) 5.136 2.620 ( -14.219 0.000 -5.716) 15.325 2.706 ( -5.378 0.000 4.532) 7.033 2.735 ( -0.293 0.000 0.871) 0.919 2.752 ( 0.168 0.000 1.096) 1.109 2.838 ( -0.608 0.000 0.770) 0.981 2.870 ( -1.195 0.000 1.252) 1.730 2.943 ( 2.344 0.000 -2.160) 3.188 2.973 ( 3.911 0.000 -1.919) 4.357 3.016 ( 7.893 0.000 2.760) 8.361 3.076 ( 6.105 0.000 -0.047) 6.105 3.107 ( -7.815 0.000 -2.183) 8.115 3.118 ( 0.276 0.000 -0.223) 0.354 3.238 ( 7.023 0.000 2.208) 7.361 3.304 ( -2.674 0.000 1.305) 2.975 3.333 ( -1.170 0.000 1.478) 1.885 3.364 ( -5.264 0.000 -1.182) 5.395 3.391 ( -3.129 0.000 0.105) 3.130 3.645 ( -4.424 0.000 -5.277) 6.886 3.661 ( 3.763 0.000 3.477) 5.124 3.700 ( -0.133 0.000 -5.011) 5.013 3.742 ( -1.381 0.000 6.768) 6.907 3.805 ( 2.274 0.000 3.456) 4.137 4.050 ( 0.212 0.000 -2.943) 2.950 4.053 ( -3.812 0.000 4.475) 5.879 4.072 ( -18.483 0.000 -2.343) 18.631 4.230 ( -0.545 0.000 -0.475) 0.723 4.237 ( 7.697 0.000 0.879) 7.747 4.327 ( -1.776 0.000 5.884) 6.146 4.365 ( 14.182 0.000 -4.569) 14.900 4.464 ( 2.415 0.000 0.402) 2.448 4.542 ( 1.632 0.000 -1.099) 1.968 4.633 ( 1.276 0.000 -0.958) 1.595 4.633 ( 5.492 0.000 2.771) 6.151 4.719 ( 4.180 0.000 -7.315) 8.425 4.756 ( -3.207 0.000 -1.101) 3.391 4.859 ( -1.677 0.000 -6.957) 7.156 4.860 ( 5.377 0.000 5.514) 7.702 5.031 ( 4.817 0.000 0.233) 4.822 5.084 ( 5.071 0.000 2.287) 5.563 5.149 ( -13.405 0.000 4.699) 14.204 5.171 ( 6.681 0.000 -3.682) 7.629 5.178 ( 1.197 0.000 -2.239) 2.539 5.335 ( 8.577 0.000 2.460) 8.923 5.368 ( -12.535 0.000 -1.796) 12.663 5.418 ( -3.530 0.000 -7.087) 7.917 5.500 ( 3.860 0.000 8.930) 9.729 5.543 ( 1.686 0.000 -3.161) 3.583 5.674 ( 1.488 0.000 -1.974) 2.472 5.679 ( 6.307 0.000 0.232) 6.311 5.745 ( -1.442 0.000 -1.564) 2.127 5.748 ( 2.324 0.000 -6.192) 6.614 5.893 ( 7.107 0.000 -3.030) 7.726 5.954 ( 0.611 0.000 -0.881) 1.072 6.024 ( 6.713 0.000 -0.358) 6.723 6.059 ( 8.555 0.000 0.805) 8.593 6.166 ( 11.154 0.000 3.745) 11.766 6.196 ( 1.488 0.000 5.836) 6.023 6.399 ( 7.296 0.000 -0.577) 7.319 6.428 ( 7.962 0.000 -1.017) 8.026 6.640 ( 0.162 0.000 0.979) 0.992 6.793 ( -1.820 0.000 3.896) 4.300 6.984 ( 0.057 0.000 0.184) 0.192 7.014 ( 2.653 0.000 -8.753) 9.146 7.068 ( -4.253 0.000 1.424) 4.485 7.178 ( -1.433 0.000 2.340) 2.744 7.241 ( -1.044 0.000 1.853) 2.127 7.272 ( 4.432 0.000 11.057) 11.912 7.373 ( 1.145 0.000 4.369) 4.517 7.480 ( -5.686 0.000 -2.238) 6.110 7.638 ( 3.189 0.000 -5.372) 6.247 7.715 ( -1.343 0.000 2.508) 2.845 7.784 ( 0.443 0.000 2.002) 2.050 7.889 ( 1.270 0.000 -2.881) 3.149 8.234 ( 2.764 0.000 -0.772) 2.870 8.352 ( -0.942 0.000 0.466) 1.051 8.488 ( 3.317 0.000 -1.841) 3.794 8.554 ( -2.391 0.000 -3.853) 4.534 8.652 ( -1.370 0.000 -0.055) 1.371 8.692 ( -3.714 0.000 0.198) 3.719 8.787 ( -3.904 0.000 0.646) 3.957 8.878 ( -3.322 0.000 -0.617) 3.379 8.908 ( 4.506 0.000 1.756) 4.836 8.925 ( -5.108 0.000 0.734) 5.161 9.035 ( 2.632 0.000 5.501) 6.098 9.078 ( -2.403 0.000 2.774) 3.670 9.136 ( -1.026 0.000 -2.757) 2.942 9.155 ( 0.532 0.000 2.784) 2.835 9.200 ( -0.156 0.000 3.990) 3.993 9.311 ( 0.398 0.000 -4.846) 4.862 9.348 ( -8.017 0.000 3.189) 8.628 9.538 ( -4.769 0.000 -1.716) 5.068 9.553 ( -0.667 0.000 4.575) 4.624 9.596 ( -3.810 0.000 4.424) 5.839 9.690 ( -6.348 0.000 2.133) 6.697 9.899 ( 3.186 0.000 2.948) 4.341 9.919 ( 1.685 0.000 0.167) 1.693 10.009 ( 5.823 0.000 0.211) 5.827 10.026 ( -3.649 0.000 -6.684) 7.615 10.210 ( 3.864 0.000 2.096) 4.396 10.224 ( 5.959 0.000 -2.925) 6.639 10.464 ( 4.086 0.000 -0.675) 4.142 10.527 ( 8.397 0.000 1.221) 8.485 10.546 ( 1.829 0.000 1.598) 2.429 10.831 ( 0.052 0.000 -9.362) 9.362 10.891 ( 2.870 0.000 2.825) 4.027 11.104 ( 1.587 0.000 2.101) 2.633 11.263 ( -1.424 0.000 -1.685) 2.207 11.323 ( -5.275 0.000 9.202) 10.607 11.442 ( 0.167 0.000 0.371) 0.407 11.719 ( -8.334 0.000 -6.629) 10.649 11.752 ( 4.652 0.000 7.284) 8.642 11.818 ( -14.645 0.000 -4.405) 15.293 11.947 ( -6.566 0.000 0.330) 6.575 11.981 ( 1.653 0.000 -5.568) 5.809 12.124 ( -7.043 0.000 -0.746) 7.083 12.129 ( -1.819 0.000 -7.437) 7.657 12.239 ( -3.143 0.000 -2.640) 4.105 12.326 ( -9.465 0.000 -0.065) 9.466 12.469 ( -7.652 0.000 -7.293) 10.571 12.818 ( -9.572 0.000 2.469) 9.885 12.854 ( 1.393 0.000 -6.439) 6.587 13.089 ( -5.334 0.000 1.321) 5.496 13.101 ( 1.151 0.000 6.628) 6.727 13.221 ( -0.692 0.000 -7.403) 7.435 13.394 ( -9.968 0.000 -8.538) 13.124 13.456 ( -10.661 0.000 0.496) 10.673 13.534 ( -1.014 0.000 3.055) 3.219 13.853 ( -9.638 0.000 1.930) 9.829 14.035 ( 12.828 0.000 3.019) 13.178 14.317 ( 0.461 0.000 4.679) 4.701 14.349 ( 7.657 0.000 -14.328) 16.246 14.416 ( 0.403 0.000 -1.313) 1.374 14.728 ( 5.816 0.000 -5.515) 8.015 14.886 ( 2.274 0.000 15.487) 15.653 14.957 ( -0.876 0.000 -3.775) 3.875 15.042 ( -0.369 0.000 11.815) 11.820 15.544 ( 7.245 0.000 -0.920) 7.303 15.569 ( 5.993 0.000 -2.118) 6.356 15.670 ( 9.511 0.000 -2.047) 9.729 15.735 ( 9.702 0.000 0.305) 9.707 15.749 ( 7.704 0.000 -0.562) 7.725 20.135 ( -4.832 0.000 -1.014) 4.937 20.167 ( -2.941 0.000 -1.602) 3.349 20.172 ( -4.866 0.000 1.725) 5.163 20.664 ( 5.548 0.000 -5.795) 8.022 20.978 ( -2.649 0.000 -0.088) 2.650 21.120 ( 1.940 0.000 1.392) 2.387 21.153 ( -5.281 0.000 8.896) 10.346 21.194 ( -2.964 0.000 2.925) 4.164 21.206 ( 1.189 0.000 -0.321) 1.231 21.488 ( -0.090 0.000 -0.790) 0.796 21.638 ( 1.142 0.000 0.342) 1.192 21.703 ( 1.928 0.000 0.898) 2.127 21.926 ( -7.105 0.000 0.474) 7.120 21.973 ( -7.375 0.000 0.957) 7.437 22.360 ( 2.004 0.000 -5.891) 6.223 22.524 ( 3.920 0.000 -3.312) 5.132 22.856 ( 0.897 0.000 -1.645) 1.874 22.879 ( 2.944 0.000 0.835) 3.060 22.990 ( 1.114 0.000 -2.514) 2.750 23.026 ( -2.338 0.000 -0.305) 2.358 23.344 ( -2.913 0.000 9.310) 9.755 23.423 ( 2.962 0.000 5.889) 6.592 23.752 ( 7.847 0.000 -3.450) 8.572 24.456 ( 16.449 0.000 -1.075) 16.484 26.215 ( -2.825 0.000 0.969) 2.986 26.267 ( -3.680 0.000 -1.420) 3.944 26.280 ( -4.181 0.000 1.373) 4.401 26.577 ( 2.366 0.000 -3.113) 3.910 ======================= Grid point 41 (19/54) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( -29.776 0.000 5.636) 30.304 0.752 ( -29.411 0.000 16.577) 33.761 1.261 ( -50.832 0.000 21.085) 55.031 1.815 ( 2.818 0.000 -14.927) 15.190 2.024 ( 1.914 0.000 -3.604) 4.081 2.118 ( -5.815 0.000 -8.270) 10.110 2.199 ( -1.613 0.000 8.785) 8.932 2.337 ( -5.399 0.000 -11.156) 12.393 2.455 ( -3.496 0.000 2.984) 4.596 2.481 ( -5.257 0.000 5.724) 7.772 2.497 ( -2.726 0.000 -6.684) 7.218 2.509 ( 4.466 0.000 -3.910) 5.935 2.660 ( -0.067 0.000 3.833) 3.834 2.673 ( -2.931 0.000 -1.987) 3.541 2.747 ( -1.362 0.000 0.599) 1.488 2.806 ( -3.874 0.000 0.212) 3.879 2.898 ( 3.435 0.000 -0.254) 3.445 2.915 ( -4.644 0.000 1.674) 4.937 2.964 ( -4.434 0.000 3.260) 5.503 3.024 ( 1.077 0.000 -0.963) 1.445 3.074 ( 1.649 0.000 -3.423) 3.800 3.105 ( -4.428 0.000 -1.650) 4.725 3.156 ( -0.247 0.000 -1.972) 1.987 3.236 ( -5.621 0.000 3.196) 6.466 3.324 ( -0.673 0.000 4.733) 4.780 3.327 ( 6.971 0.000 -2.183) 7.305 3.432 ( 1.339 0.000 3.256) 3.521 3.436 ( 9.661 0.000 4.427) 10.627 3.570 ( 0.569 0.000 -4.866) 4.899 3.685 ( 2.963 0.000 -6.552) 7.191 3.746 ( -11.565 0.000 -3.767) 12.163 3.776 ( -1.946 0.000 -3.152) 3.705 3.781 ( -1.607 0.000 7.973) 8.133 3.811 ( 12.035 0.000 1.047) 12.080 4.011 ( -5.438 0.000 6.392) 8.392 4.075 ( 3.525 0.000 -4.946) 6.073 4.214 ( 0.903 0.000 -2.481) 2.640 4.241 ( -8.758 0.000 1.749) 8.931 4.395 ( -4.667 0.000 -2.040) 5.093 4.468 ( 7.038 0.000 4.178) 8.185 4.496 ( -1.112 0.000 -1.747) 2.071 4.533 ( -2.105 0.000 3.416) 4.012 4.590 ( -1.902 0.000 -0.362) 1.936 4.679 ( 1.825 0.000 -2.578) 3.158 4.762 ( -1.781 0.000 -8.262) 8.452 4.857 ( 9.450 0.000 -8.493) 12.706 4.867 ( 11.015 0.000 -0.915) 11.053 4.976 ( 1.522 0.000 3.726) 4.025 5.049 ( -2.747 0.000 8.100) 8.553 5.109 ( -5.293 0.000 -0.818) 5.356 5.125 ( -0.499 0.000 0.750) 0.901 5.172 ( 4.815 0.000 3.888) 6.189 5.191 ( -4.673 0.000 -11.067) 12.013 5.213 ( -0.883 0.000 -1.862) 2.061 5.255 ( -1.794 0.000 -6.777) 7.010 5.448 ( 1.192 0.000 2.139) 2.449 5.500 ( -3.025 0.000 -8.096) 8.643 5.547 ( -1.241 0.000 3.155) 3.390 5.642 ( 3.086 0.000 2.611) 4.043 5.728 ( -1.647 0.000 -2.083) 2.655 5.845 ( 4.222 0.000 5.154) 6.663 5.901 ( 10.360 0.000 3.991) 11.102 5.953 ( 5.126 0.000 -11.505) 12.595 5.987 ( 7.963 0.000 -0.472) 7.977 6.084 ( 2.981 0.000 -3.502) 4.599 6.226 ( 5.745 0.000 4.759) 7.460 6.295 ( 4.380 0.000 11.293) 12.113 6.386 ( 9.691 0.000 1.596) 9.821 6.529 ( 4.249 0.000 2.108) 4.743 6.530 ( 3.830 0.000 -1.392) 4.075 6.712 ( 3.687 0.000 5.461) 6.589 6.752 ( -3.650 0.000 0.852) 3.748 6.980 ( -6.627 0.000 4.003) 7.743 7.009 ( 2.120 0.000 1.127) 2.401 7.009 ( 4.079 0.000 -9.908) 10.714 7.148 ( -1.550 0.000 1.048) 1.871 7.238 ( -9.844 0.000 -2.979) 10.285 7.281 ( 3.174 0.000 2.433) 3.999 7.444 ( -0.282 0.000 2.726) 2.740 7.465 ( 1.829 0.000 5.379) 5.681 7.590 ( -4.454 0.000 -5.092) 6.765 7.810 ( 0.312 0.000 4.112) 4.124 7.815 ( 11.441 0.000 15.300) 19.104 7.916 ( 4.002 0.000 -3.703) 5.453 8.308 ( 4.838 0.000 -0.990) 4.938 8.336 ( -0.743 0.000 -1.513) 1.686 8.474 ( -2.459 0.000 -7.458) 7.853 8.479 ( -1.701 0.000 -2.160) 2.749 8.605 ( -9.019 0.000 6.233) 10.963 8.614 ( -4.842 0.000 3.389) 5.910 8.732 ( 0.518 0.000 -2.393) 2.448 8.784 ( -8.414 0.000 -0.138) 8.415 8.848 ( 2.518 0.000 -4.123) 4.831 8.960 ( -1.579 0.000 0.470) 1.647 9.055 ( -7.209 0.000 2.875) 7.761 9.061 ( -3.160 0.000 0.396) 3.185 9.109 ( 0.966 0.000 -2.373) 2.562 9.146 ( 0.519 0.000 1.304) 1.404 9.200 ( 0.856 0.000 2.513) 2.655 9.251 ( -3.209 0.000 -4.382) 5.432 9.351 ( 2.107 0.000 0.619) 2.196 9.426 ( -5.187 0.000 -7.852) 9.410 9.519 ( -3.278 0.000 1.816) 3.748 9.659 ( 8.392 0.000 6.035) 10.337 9.673 ( 0.776 0.000 5.896) 5.947 9.893 ( -5.149 0.000 1.602) 5.392 9.949 ( 2.454 0.000 0.400) 2.486 10.017 ( 6.022 0.000 -1.855) 6.301 10.107 ( 3.413 0.000 2.987) 4.535 10.291 ( 3.097 0.000 1.006) 3.257 10.293 ( -0.275 0.000 4.169) 4.178 10.380 ( -2.407 0.000 -4.837) 5.402 10.684 ( 5.376 0.000 -1.134) 5.495 10.688 ( 7.105 0.000 -2.945) 7.691 10.860 ( 8.719 0.000 -8.612) 12.255 11.000 ( 6.229 0.000 6.306) 8.864 11.091 ( -4.776 0.000 2.587) 5.431 11.229 ( -10.101 0.000 4.506) 11.060 11.230 ( -0.397 0.000 -11.319) 11.326 11.414 ( -3.641 0.000 5.229) 6.372 11.512 ( -7.791 0.000 -3.944) 8.732 11.599 ( -5.826 0.000 -1.252) 5.959 11.803 ( -5.357 0.000 -2.726) 6.010 11.803 ( -7.840 0.000 -0.618) 7.864 11.929 ( -6.625 0.000 -3.420) 7.456 12.033 ( -4.248 0.000 -1.034) 4.372 12.066 ( 3.218 0.000 -2.282) 3.945 12.131 ( -4.886 0.000 3.926) 6.268 12.176 ( -6.142 0.000 -0.847) 6.200 12.243 ( -10.960 0.000 -7.088) 13.053 12.710 ( -1.086 0.000 -0.575) 1.228 12.801 ( -3.077 0.000 -10.760) 11.192 12.984 ( -6.925 0.000 -4.952) 8.513 13.116 ( -5.678 0.000 -7.364) 9.299 13.176 ( -1.718 0.000 3.596) 3.985 13.261 ( 0.488 0.000 -9.084) 9.097 13.382 ( 5.196 0.000 2.042) 5.583 13.498 ( -4.813 0.000 3.611) 6.017 13.688 ( -8.973 0.000 1.554) 9.106 14.104 ( -20.417 0.000 -30.177) 36.435 14.262 ( 7.503 0.000 6.585) 9.983 14.330 ( -1.528 0.000 2.422) 2.864 14.418 ( 1.616 0.000 -0.137) 1.622 14.794 ( 3.572 0.000 -2.577) 4.405 14.925 ( -4.054 0.000 6.129) 7.349 14.943 ( 1.660 0.000 -3.229) 3.631 15.257 ( 10.746 0.000 15.903) 19.193 15.622 ( 3.282 0.000 -2.564) 4.165 15.690 ( 6.785 0.000 0.778) 6.830 15.834 ( 8.681 0.000 -1.599) 8.827 15.885 ( 6.174 0.000 -0.233) 6.179 15.899 ( 6.936 0.000 0.196) 6.939 20.044 ( -3.569 0.000 -1.206) 3.767 20.103 ( -3.550 0.000 1.147) 3.730 20.109 ( -1.991 0.000 -1.092) 2.271 20.604 ( -11.806 0.000 -28.924) 31.240 20.934 ( -14.553 0.000 -10.252) 17.802 20.943 ( -1.204 0.000 -0.319) 1.245 21.134 ( -3.721 0.000 4.250) 5.649 21.158 ( 0.255 0.000 1.452) 1.474 21.230 ( 2.447 0.000 -1.903) 3.100 21.428 ( -4.694 0.000 -1.449) 4.913 21.666 ( 1.455 0.000 0.569) 1.562 21.738 ( 1.118 0.000 0.988) 1.492 21.834 ( -3.408 0.000 -1.852) 3.878 21.912 ( -1.487 0.000 1.477) 2.096 22.550 ( 1.245 0.000 -0.159) 1.255 22.665 ( 25.242 0.000 32.871) 41.445 22.808 ( -1.724 0.000 -2.093) 2.712 22.927 ( 2.624 0.000 -1.580) 3.063 22.988 ( -0.251 0.000 -0.704) 0.747 23.074 ( 5.757 0.000 -1.825) 6.039 23.262 ( -4.900 0.000 11.150) 12.180 23.763 ( 23.199 0.000 31.713) 39.292 23.878 ( 6.924 0.000 -3.208) 7.631 24.699 ( 10.361 0.000 -1.035) 10.413 26.166 ( -2.700 0.000 0.514) 2.748 26.201 ( -2.493 0.000 -0.684) 2.585 26.213 ( -3.572 0.000 0.745) 3.649 26.524 ( -6.515 0.000 -12.989) 14.532 ======================= Grid point 42 (20/54) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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| 0.628 ( -0.057 17.745 11.165) 20.965 0.817 ( -0.997 24.710 17.451) 30.267 1.423 ( 0.530 46.351 23.399) 51.925 1.676 ( -2.749 -6.505 -17.113) 18.513 1.894 ( 1.394 -3.403 -12.949) 13.461 2.045 ( 1.747 -6.657 -2.401) 7.289 2.165 ( -0.347 -4.834 -4.253) 6.448 2.212 ( -0.029 3.684 2.943) 4.716 2.366 ( 1.161 -5.456 1.386) 5.748 2.398 ( 1.081 -3.251 -7.293) 8.058 2.528 ( -0.354 2.951 2.919) 4.166 2.561 ( -0.363 -1.790 -4.544) 4.897 2.598 ( 2.214 -5.878 -2.474) 6.751 2.716 ( 1.494 4.407 0.609) 4.693 2.767 ( 0.734 1.564 -0.034) 1.728 2.785 ( -0.708 -2.730 4.892) 5.647 2.807 ( -1.588 3.147 2.714) 4.449 2.922 ( -3.328 0.805 2.801) 4.424 2.972 ( -0.260 0.349 1.094) 1.178 3.054 ( 2.589 -3.973 3.224) 5.735 3.061 ( -1.108 3.432 -0.439) 3.633 3.136 ( -0.877 3.881 -1.924) 4.419 3.161 ( 0.872 4.302 -2.219) 4.918 3.214 ( -1.143 2.980 0.023) 3.192 3.334 ( 0.311 0.774 2.694) 2.820 3.379 ( 0.988 -2.014 -2.983) 3.733 3.478 ( 1.470 -0.039 1.334) 1.986 3.546 ( 1.051 2.220 -1.876) 3.091 3.610 ( -3.229 4.546 0.628) 5.611 3.666 ( 3.874 -1.648 2.929) 5.128 3.720 ( 0.412 1.041 -4.770) 4.900 3.744 ( -3.363 2.516 -0.893) 4.293 3.849 ( -0.771 -3.150 0.562) 3.291 3.879 ( -0.199 -4.608 2.831) 5.412 3.901 ( -4.591 -1.758 3.073) 5.797 3.978 ( -2.355 -8.151 -1.300) 8.583 4.017 ( 0.243 -5.832 -1.299) 5.980 4.173 ( 2.611 -8.753 -1.147) 9.206 4.204 ( 1.715 -1.039 -1.686) 2.620 4.487 ( 4.199 2.199 -0.364) 4.754 4.507 ( -2.884 -4.767 5.466) 7.805 4.556 ( 0.181 1.933 -2.553) 3.208 4.625 ( 2.402 0.424 -2.672) 3.618 4.651 ( -0.088 6.197 3.185) 6.968 4.693 ( 3.104 -2.186 1.798) 4.200 4.855 ( -3.688 -1.408 -2.053) 4.449 4.907 ( 3.207 -3.103 -3.929) 5.946 4.991 ( -2.053 2.976 -4.818) 6.024 5.023 ( -0.887 0.977 -1.365) 1.898 5.052 ( -2.892 2.813 -2.178) 4.584 5.124 ( -0.932 -0.379 -2.880) 3.051 5.190 ( -0.518 -1.613 3.510) 3.897 5.219 ( 1.407 0.800 -3.664) 4.006 5.247 ( 4.054 0.673 2.972) 5.072 5.314 ( -0.201 -3.932 1.026) 4.069 5.427 ( -1.608 1.970 5.026) 5.633 5.521 ( 1.728 5.252 -4.856) 7.358 5.564 ( -2.478 -4.159 -1.355) 5.027 5.628 ( 3.273 4.019 1.838) 5.499 5.733 ( -0.748 -1.922 -0.372) 2.096 5.832 ( -3.648 -4.051 2.032) 5.818 5.856 ( 0.663 -4.462 -7.167) 8.468 6.026 ( -0.856 1.124 0.589) 1.530 6.041 ( 1.232 -2.389 -0.927) 2.843 6.126 ( 3.587 -5.182 5.532) 8.385 6.232 ( -3.688 -5.246 7.119) 9.581 6.400 ( -2.217 2.176 1.356) 3.390 6.487 ( 2.129 -0.482 -2.185) 3.089 6.623 ( -0.391 4.925 -0.553) 4.971 6.647 ( 2.683 7.037 0.532) 7.550 6.752 ( -3.981 4.103 1.293) 5.861 6.852 ( -0.308 -0.411 2.745) 2.793 6.950 ( 1.853 0.257 0.015) 1.871 7.032 ( -2.382 0.075 -0.099) 2.385 7.088 ( -3.795 4.073 -0.472) 5.587 7.130 ( 3.622 3.184 2.239) 5.317 7.216 ( 0.748 0.333 1.768) 1.949 7.340 ( 3.438 2.450 -2.362) 4.838 7.408 ( -0.542 0.398 -4.968) 5.013 7.518 ( -0.365 -0.620 8.458) 8.489 7.644 ( 3.379 7.641 0.591) 8.376 7.798 ( -1.216 -4.596 4.125) 6.295 7.975 ( -0.255 1.616 -3.241) 3.630 8.123 ( -4.797 2.510 -5.372) 7.627 8.261 ( 3.759 2.724 0.348) 4.655 8.334 ( -2.554 2.361 -0.451) 3.507 8.404 ( 0.519 -1.469 -2.415) 2.874 8.449 ( -6.256 -1.463 5.107) 8.207 8.534 ( 2.575 3.314 -2.476) 4.873 8.625 ( 2.639 -4.960 -3.192) 6.462 8.653 ( -3.081 -0.987 0.385) 3.258 8.768 ( 5.930 0.218 -5.251) 7.923 8.796 ( -3.891 -3.833 -3.550) 6.515 8.905 ( -1.931 0.804 -4.244) 4.732 8.976 ( 0.853 -1.591 1.440) 2.309 9.023 ( 0.666 3.354 -0.095) 3.421 9.110 ( -1.078 -3.142 -0.644) 3.383 9.139 ( -0.667 -2.312 -2.466) 3.445 9.191 ( 1.595 2.028 -0.576) 2.644 9.267 ( -3.521 -0.803 2.098) 4.176 9.365 ( 0.661 8.426 1.617) 8.605 9.449 ( -2.921 6.976 -0.587) 7.586 9.491 ( -3.504 2.626 0.759) 4.444 9.710 ( 2.063 1.857 2.986) 4.077 9.851 ( 0.404 1.880 4.265) 4.678 9.870 ( -0.980 2.903 1.822) 3.565 10.018 ( -5.377 -5.317 6.541) 9.998 10.034 ( 2.390 2.077 3.534) 4.745 10.111 ( -0.128 -1.596 1.846) 2.444 10.175 ( -0.929 -1.335 -1.229) 2.039 10.281 ( -2.246 -4.769 -1.538) 5.491 10.340 ( 1.836 -3.237 -1.741) 4.108 10.699 ( 1.469 -1.223 -2.630) 3.251 10.712 ( 3.428 -1.516 -3.851) 5.374 10.919 ( -1.578 -1.521 -3.796) 4.383 10.936 ( 7.234 -0.761 -0.981) 7.340 11.061 ( -9.307 -6.363 -1.720) 11.405 11.090 ( 0.049 -0.714 -3.652) 3.721 11.211 ( -0.051 3.845 0.047) 3.846 11.429 ( 0.037 2.035 1.009) 2.271 11.499 ( 3.488 3.248 -1.836) 5.107 11.585 ( 3.806 1.118 0.176) 3.971 11.601 ( 2.226 -7.446 -4.369) 8.916 11.665 ( 0.760 0.635 -4.697) 4.800 11.859 ( -2.750 1.567 2.166) 3.835 11.935 ( -0.197 -6.595 -2.207) 6.957 11.994 ( -2.273 -4.670 -3.257) 6.131 12.073 ( -2.555 -2.062 -4.104) 5.256 12.231 ( 6.226 4.967 5.285) 9.559 12.262 ( 4.748 9.875 1.435) 11.051 12.631 ( 3.820 -2.383 -7.654) 8.880 12.782 ( -2.501 4.012 1.576) 4.983 12.916 ( -1.988 0.336 0.737) 2.147 12.952 ( 4.127 1.565 -2.510) 5.077 13.083 ( -4.033 -1.148 -2.238) 4.753 13.286 ( 2.191 1.602 -5.993) 6.579 13.386 ( -1.383 -2.602 3.501) 4.576 13.554 ( 2.658 -2.621 0.974) 3.858 13.586 ( 3.247 -0.752 3.267) 4.667 13.639 ( 1.645 -7.669 9.625) 12.417 14.246 ( -3.941 -2.154 1.686) 4.797 14.372 ( -1.747 -2.281 5.881) 6.546 14.503 ( 0.021 7.630 -3.299) 8.313 14.761 ( -0.150 -1.030 -3.789) 3.929 14.934 ( -2.430 5.012 2.961) 6.308 15.057 ( 0.615 7.844 2.154) 8.157 15.280 ( -1.850 -8.498 9.246) 12.693 15.594 ( 0.189 -5.258 -1.996) 5.628 15.801 ( 0.750 1.917 1.921) 2.816 15.897 ( 0.602 -1.715 0.560) 1.902 15.941 ( 0.026 0.263 -1.836) 1.855 15.965 ( -0.086 0.064 -0.292) 0.311 19.967 ( -2.175 0.524 0.552) 2.304 20.021 ( 0.799 0.820 -1.061) 1.561 20.078 ( 0.142 -1.322 -0.055) 1.330 20.122 ( -2.531 0.538 -2.468) 3.576 20.866 ( -0.876 2.744 1.825) 3.410 20.969 ( 0.496 3.791 -1.050) 3.965 21.083 ( -2.588 -1.361 4.166) 5.090 21.259 ( 0.459 7.089 0.823) 7.151 21.316 ( 1.905 -0.556 -0.578) 2.067 21.655 ( -1.958 14.553 -11.883) 18.890 21.711 ( 0.885 2.747 0.869) 3.014 21.778 ( 0.265 -1.283 1.952) 2.351 21.877 ( -1.310 11.495 -8.556) 14.389 21.888 ( -2.962 4.568 -4.947) 7.356 22.516 ( 1.753 -8.068 1.714) 8.433 22.765 ( 0.151 -3.884 -1.912) 4.332 22.856 ( 2.034 -2.858 -0.614) 3.562 22.888 ( -0.131 -3.132 -3.858) 4.970 23.030 ( 1.498 -1.228 -3.452) 3.958 23.080 ( -3.060 -1.561 -2.132) 4.043 23.504 ( 2.173 5.087 8.122) 9.827 23.836 ( 2.347 -11.522 3.883) 12.383 24.388 ( 3.103 -5.311 18.550) 19.543 24.896 ( 1.696 -4.078 -5.878) 7.353 26.143 ( 0.000 0.343 0.023) 0.344 26.147 ( -1.805 0.290 -0.036) 1.829 26.172 ( -0.539 -0.382 0.140) 0.675 26.177 ( 0.636 -0.410 0.025) 0.757 ======================= Grid point 43 (21/54) ======================= q-point: ( 0.14 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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| 0.869 ( 16.560 13.188 9.798) 23.327 1.134 ( 18.715 14.380 17.871) 29.604 1.485 ( -1.717 -1.501 -16.261) 16.420 1.832 ( 20.533 19.053 10.133) 29.787 1.979 ( 12.419 2.644 -2.889) 13.021 2.069 ( 7.666 -2.883 -13.713) 15.972 2.202 ( 7.489 3.806 -2.654) 8.810 2.229 ( 0.074 -2.786 5.321) 6.007 2.317 ( 1.561 1.259 -12.974) 13.128 2.427 ( -0.682 -6.814 -0.084) 6.849 2.525 ( 1.026 -1.846 -0.217) 2.123 2.580 ( 2.606 -4.467 0.798) 5.233 2.665 ( 3.745 -1.834 2.738) 4.989 2.688 ( -2.493 2.035 -1.478) 3.542 2.764 ( -1.749 1.761 0.000) 2.482 2.820 ( 1.260 3.546 6.157) 7.215 2.847 ( -0.663 -0.907 0.047) 1.124 2.902 ( 3.325 -2.140 5.546) 6.811 3.022 ( 1.583 -1.136 -2.071) 2.843 3.049 ( 2.193 5.950 1.293) 6.472 3.080 ( -0.788 -0.305 -1.470) 1.695 3.128 ( -0.851 0.910 7.562) 7.664 3.149 ( -0.149 1.898 -0.148) 1.910 3.252 ( 3.843 -4.940 -0.337) 6.268 3.356 ( -0.357 2.240 -1.702) 2.835 3.372 ( 2.447 1.918 -0.729) 3.194 3.496 ( -1.152 2.867 0.322) 3.107 3.527 ( -5.396 5.529 1.662) 7.903 3.573 ( 3.015 0.855 -1.827) 3.628 3.629 ( -3.097 -1.325 0.008) 3.368 3.673 ( -8.896 -1.364 -0.765) 9.032 3.720 ( 3.137 7.099 -7.282) 10.642 3.737 ( -1.917 -1.104 -0.745) 2.334 3.911 ( 3.254 -3.205 1.443) 4.790 3.920 ( 3.822 -0.972 6.049) 7.221 4.035 ( 6.803 1.399 -5.231) 8.695 4.109 ( 4.188 -4.482 2.722) 6.711 4.215 ( 3.321 -6.959 1.180) 7.801 4.281 ( 5.732 -3.769 -1.537) 7.030 4.428 ( -7.042 -1.107 3.197) 7.813 4.523 ( 0.913 1.971 -2.245) 3.124 4.567 ( -0.781 0.871 -3.313) 3.514 4.653 ( -1.481 -0.724 -1.110) 1.988 4.713 ( -2.665 -2.406 -2.375) 4.305 4.742 ( 5.542 2.421 3.525) 7.000 4.829 ( 2.305 -1.421 -0.433) 2.743 4.878 ( -5.618 -0.527 -3.404) 6.589 4.932 ( 0.592 -4.762 -3.307) 5.828 4.962 ( -1.520 0.786 1.603) 2.345 5.047 ( -0.804 -2.025 -3.752) 4.339 5.133 ( 3.866 4.594 -0.250) 6.009 5.159 ( 5.355 -3.869 -2.499) 7.063 5.187 ( -6.235 0.246 1.624) 6.447 5.300 ( -0.449 -0.121 -0.712) 0.850 5.305 ( 0.083 -0.101 0.996) 1.005 5.449 ( -1.318 0.701 4.810) 5.036 5.483 ( 0.540 -2.678 -6.163) 6.742 5.528 ( -1.294 2.815 -1.109) 3.291 5.630 ( -7.076 1.611 -0.918) 7.315 5.659 ( -3.888 -4.710 -8.255) 10.269 5.728 ( -4.523 0.424 -1.292) 4.723 5.852 ( 0.612 -1.915 2.335) 3.081 5.932 ( -6.146 -0.256 -1.748) 6.395 6.034 ( -3.128 0.302 0.970) 3.289 6.149 ( -7.093 -2.788 4.292) 8.747 6.172 ( -5.635 -6.580 7.405) 11.397 6.313 ( -7.187 1.097 1.340) 7.392 6.429 ( -6.856 -1.977 -2.166) 7.457 6.619 ( -0.105 6.138 0.387) 6.152 6.646 ( -0.517 3.324 -2.566) 4.231 6.732 ( -2.126 2.584 7.428) 8.147 6.875 ( -2.673 2.348 -0.432) 3.584 6.950 ( -3.825 3.735 2.322) 5.829 6.999 ( 3.088 4.461 1.963) 5.770 7.076 ( 2.117 -0.374 1.405) 2.568 7.148 ( -0.931 6.449 -1.402) 6.665 7.225 ( -2.226 3.920 -0.161) 4.511 7.309 ( -3.301 1.449 -1.847) 4.050 7.377 ( -1.862 2.171 0.236) 2.870 7.546 ( 1.663 -1.929 -0.978) 2.728 7.697 ( -0.698 8.180 1.410) 8.330 7.778 ( -4.588 -5.217 5.342) 8.764 7.809 ( -6.678 -5.209 4.395) 9.542 8.053 ( -2.888 3.818 -1.520) 5.023 8.325 ( 2.052 2.592 -1.485) 3.625 8.340 ( 0.263 3.363 0.063) 3.374 8.386 ( 3.169 -0.953 3.114) 4.543 8.491 ( 4.564 -0.441 -1.693) 4.888 8.535 ( 7.247 1.167 -4.547) 8.635 8.601 ( -0.803 -1.968 1.626) 2.676 8.692 ( -0.510 1.189 -1.548) 2.017 8.771 ( 2.243 3.139 -0.325) 3.872 8.865 ( 8.397 -5.840 -5.753) 11.736 8.895 ( 0.416 -0.438 -0.799) 1.001 9.012 ( -1.560 -1.742 0.098) 2.341 9.040 ( -4.798 -3.284 -2.629) 6.381 9.061 ( 3.487 -0.954 -0.695) 3.681 9.114 ( 3.971 -3.055 3.975) 6.396 9.218 ( 0.867 1.456 1.810) 2.480 9.286 ( 0.937 -1.125 0.819) 1.677 9.352 ( -4.236 4.415 1.700) 6.350 9.409 ( -1.612 4.104 -2.348) 4.995 9.472 ( 3.053 8.220 3.022) 9.275 9.751 ( -0.002 8.494 -7.072) 11.053 9.782 ( -3.924 3.114 3.691) 6.223 9.867 ( -3.190 1.578 5.395) 6.463 9.970 ( -3.031 -2.194 4.596) 5.927 10.046 ( -4.732 -1.975 -0.785) 5.187 10.092 ( -1.645 -2.300 3.658) 4.623 10.174 ( -1.852 -4.244 0.140) 4.632 10.278 ( 7.524 -5.157 2.306) 9.409 10.320 ( -2.043 -5.968 -2.091) 6.645 10.643 ( -5.029 -1.266 -2.188) 5.629 10.695 ( -3.404 -0.344 -2.340) 4.145 10.805 ( -6.127 -9.558 -5.319) 12.538 10.934 ( -2.508 2.073 -1.479) 3.575 11.093 ( 2.376 2.063 -4.045) 5.125 11.193 ( -2.172 5.504 0.209) 5.920 11.210 ( 12.514 -0.791 3.597) 13.044 11.428 ( -0.719 1.942 -1.488) 2.550 11.591 ( 8.841 0.220 -2.616) 9.223 11.663 ( 3.605 -0.393 -4.189) 5.541 11.737 ( 9.691 -2.022 1.987) 10.097 11.769 ( 10.878 -3.015 -2.677) 11.601 11.878 ( 2.831 -1.315 -1.580) 3.499 11.937 ( 5.877 -3.240 0.847) 6.764 12.043 ( 5.133 -6.044 0.379) 7.939 12.079 ( 8.374 -7.978 -2.519) 11.837 12.346 ( 5.410 3.808 -0.868) 6.672 12.481 ( 15.295 0.885 -2.550) 15.532 12.604 ( -2.765 -1.816 -3.709) 4.970 12.793 ( 3.363 0.017 1.406) 3.645 12.898 ( 0.492 4.133 -9.846) 10.690 12.958 ( -1.617 1.862 2.470) 3.490 13.102 ( 7.322 6.505 -2.394) 10.083 13.333 ( 4.074 -1.773 -1.633) 4.734 13.424 ( 3.965 -0.164 -1.880) 4.391 13.553 ( 1.145 -0.823 5.171) 5.360 13.777 ( 8.810 -4.429 0.700) 9.885 13.858 ( 15.146 -10.746 -2.215) 18.703 14.196 ( -2.693 -1.932 4.832) 5.860 14.326 ( -4.712 -2.108 3.447) 6.207 14.491 ( -0.795 5.584 -1.172) 5.761 14.716 ( -2.770 -1.695 -3.403) 4.704 14.873 ( -5.433 8.280 1.788) 10.063 15.072 ( -0.418 6.294 1.502) 6.485 15.254 ( -6.215 -3.003 7.507) 10.198 15.551 ( -3.761 -5.746 -1.937) 7.135 15.747 ( -7.593 0.277 3.763) 8.479 15.833 ( -7.060 -1.037 -0.406) 7.148 15.866 ( -6.334 -0.351 -1.454) 6.509 15.890 ( -7.293 0.189 -0.756) 7.334 20.012 ( 5.481 -0.610 -1.111) 5.626 20.073 ( 4.655 0.351 -0.048) 4.669 20.095 ( 2.831 -0.883 -1.503) 3.325 20.155 ( 6.066 -0.487 -2.139) 6.451 20.880 ( 0.915 2.463 1.857) 3.218 20.988 ( 2.447 4.400 -0.988) 5.131 21.086 ( 0.059 -0.800 3.745) 3.830 21.273 ( -0.429 7.890 2.436) 8.268 21.377 ( 4.382 0.006 0.095) 4.383 21.501 ( -4.069 19.643 -11.418) 23.082 21.722 ( -0.712 3.331 1.765) 3.836 21.775 ( -2.857 5.915 -2.247) 6.943 21.845 ( 3.976 -3.341 3.039) 6.017 21.874 ( 0.465 -0.365 -1.381) 1.502 22.544 ( -1.835 -12.530 4.195) 13.340 22.730 ( -2.384 -5.823 -4.424) 7.691 22.856 ( -0.506 -2.210 -2.590) 3.442 22.876 ( 0.849 0.062 -1.312) 1.564 23.011 ( -0.710 -1.237 -2.169) 2.595 23.053 ( 2.751 -0.745 -4.468) 5.300 23.468 ( -10.461 4.954 10.740) 15.790 23.762 ( -8.699 -7.691 2.723) 11.926 24.316 ( -18.070 2.312 15.914) 24.189 24.676 ( -15.454 -0.923 -4.336) 16.077 26.168 ( 2.117 0.209 0.447) 2.174 26.196 ( 3.134 -0.485 0.334) 3.189 26.216 ( 3.992 -0.161 -0.142) 3.998 26.302 ( 11.183 -4.125 -4.966) 12.913 ======================= Grid point 44 (22/54) ======================= q-point: ( 0.29 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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| 1.282 ( 22.014 9.598 4.591) 24.450 1.456 ( 7.959 5.812 -7.673) 12.490 1.630 ( 22.387 5.925 14.757) 27.460 1.955 ( 0.125 -4.954 0.443) 4.976 2.115 ( 6.126 -0.659 -9.280) 11.139 2.251 ( 3.449 -1.747 -8.758) 9.573 2.267 ( 2.103 -0.565 -7.562) 7.869 2.312 ( 8.747 3.975 -2.082) 9.831 2.412 ( 8.002 -5.503 -0.417) 9.720 2.433 ( 7.431 1.464 0.139) 7.575 2.546 ( -3.379 -5.195 -3.334) 7.038 2.578 ( 2.264 -4.918 0.055) 5.415 2.658 ( 2.702 -0.205 -2.114) 3.437 2.733 ( -3.612 1.004 3.252) 4.963 2.770 ( -0.524 -2.996 0.328) 3.059 2.817 ( -2.522 0.604 0.241) 2.604 2.863 ( -0.216 -1.716 3.392) 3.808 2.916 ( 1.095 4.289 6.122) 7.555 3.014 ( 1.164 -0.303 -2.868) 3.110 3.058 ( -0.120 3.639 -1.040) 3.787 3.179 ( 2.175 -3.743 3.195) 5.380 3.194 ( 3.747 3.763 4.877) 7.210 3.244 ( 0.279 -0.623 3.052) 3.128 3.282 ( 2.516 -0.568 1.253) 2.867 3.313 ( 0.192 0.305 -2.337) 2.365 3.394 ( 4.479 1.964 4.107) 6.386 3.464 ( -1.053 4.884 0.448) 5.016 3.515 ( -3.492 0.070 1.268) 3.716 3.524 ( 2.730 3.404 0.376) 4.379 3.574 ( -1.353 5.362 -0.316) 5.539 3.716 ( 10.581 1.127 -0.792) 10.671 3.730 ( 2.180 7.392 -0.669) 7.735 3.826 ( 8.909 5.113 -1.998) 10.465 3.974 ( 1.217 0.399 -2.010) 2.383 3.995 ( 0.611 1.301 6.011) 6.181 4.111 ( -0.405 -2.287 -0.532) 2.382 4.130 ( 5.457 1.717 -1.653) 5.955 4.302 ( 3.884 -1.274 -2.923) 5.025 4.355 ( -0.123 -4.642 0.093) 4.645 4.379 ( 2.761 -1.378 0.950) 3.229 4.504 ( -5.179 1.740 2.511) 6.014 4.534 ( -5.709 2.649 1.968) 6.594 4.557 ( 3.383 -4.157 -0.604) 5.394 4.704 ( -2.234 -5.875 -0.191) 6.288 4.719 ( -5.380 -0.178 -2.069) 5.767 4.767 ( -2.867 -4.771 -1.066) 5.668 4.840 ( -0.927 -0.295 -5.887) 5.967 4.911 ( -2.169 -3.005 0.269) 3.716 4.973 ( -3.134 0.368 -2.024) 3.748 5.049 ( 0.524 -0.499 2.175) 2.292 5.069 ( -1.180 6.061 -3.814) 7.258 5.145 ( -5.820 2.604 -4.331) 7.708 5.259 ( 1.762 1.818 0.611) 2.604 5.275 ( 2.946 -2.697 -0.362) 4.010 5.325 ( 2.797 -0.561 -0.102) 2.855 5.379 ( -6.362 0.114 -0.852) 6.420 5.447 ( -1.980 -2.447 -3.231) 4.511 5.495 ( 0.425 1.241 -3.636) 3.865 5.554 ( 4.723 -2.210 -3.851) 6.482 5.590 ( 1.093 -0.424 2.014) 2.330 5.689 ( 1.654 1.349 -3.347) 3.970 5.810 ( -6.002 -3.217 -1.430) 6.958 5.859 ( -1.973 -1.095 0.353) 2.284 5.958 ( -5.197 0.225 2.021) 5.581 6.026 ( -6.920 1.366 2.901) 7.627 6.077 ( -9.443 -4.350 6.696) 12.367 6.190 ( -6.857 0.615 1.972) 7.162 6.254 ( -10.453 -1.529 -0.568) 10.579 6.590 ( -4.563 7.168 0.377) 8.506 6.602 ( -3.581 3.474 -1.203) 5.132 6.721 ( -4.476 1.214 6.821) 8.248 6.801 ( -3.008 5.567 1.307) 6.461 6.936 ( 1.147 2.299 -0.849) 2.706 7.067 ( 1.190 3.998 3.773) 5.625 7.092 ( -3.196 7.058 -2.004) 8.003 7.104 ( 0.198 2.345 0.149) 2.358 7.204 ( 1.662 -2.962 -0.573) 3.444 7.293 ( 0.120 -1.749 0.054) 1.754 7.326 ( -3.379 -1.049 0.399) 3.561 7.537 ( 0.089 -2.838 -6.192) 6.812 7.667 ( -3.230 -2.623 3.510) 5.444 7.686 ( -5.623 -6.399 3.685) 9.281 7.818 ( 0.424 2.125 2.640) 3.415 7.976 ( -3.606 1.215 -1.129) 3.969 8.285 ( -2.260 1.534 -0.201) 2.738 8.388 ( 1.695 4.347 1.129) 4.800 8.499 ( 2.402 -2.205 -1.956) 3.802 8.537 ( 3.908 0.038 3.568) 5.293 8.604 ( 2.759 -1.902 -1.037) 3.508 8.619 ( 0.743 -1.423 -0.529) 1.690 8.770 ( 0.225 6.200 -3.329) 7.041 8.790 ( 8.143 5.435 -0.173) 9.792 8.882 ( -0.498 0.399 -2.011) 2.110 8.904 ( -0.786 1.232 1.678) 2.225 9.012 ( 5.385 -0.757 -0.876) 5.508 9.084 ( -0.860 -4.865 -1.196) 5.083 9.095 ( 4.538 -0.154 -0.265) 4.548 9.177 ( 1.611 -5.249 5.723) 7.931 9.217 ( -1.201 -1.028 -2.435) 2.903 9.276 ( -1.680 1.515 1.362) 2.640 9.363 ( -0.969 4.598 2.184) 5.182 9.400 ( 4.858 2.515 5.231) 7.569 9.568 ( 5.063 6.883 0.700) 8.572 9.694 ( -1.618 2.756 -0.455) 3.229 9.737 ( -2.060 1.806 0.295) 2.755 9.881 ( 1.353 2.181 0.227) 2.576 9.937 ( -2.587 1.283 0.369) 2.912 9.971 ( -3.737 -3.132 5.177) 7.112 10.036 ( -4.890 -0.700 -0.937) 5.028 10.132 ( -2.025 -3.428 2.746) 4.836 10.250 ( -3.859 -3.780 -2.570) 5.982 10.441 ( 2.512 -4.756 -4.697) 7.141 10.545 ( -1.400 -5.879 -2.194) 6.429 10.614 ( -0.847 -3.906 1.278) 4.196 10.690 ( -4.616 -6.379 -4.157) 8.904 10.909 ( -0.087 -0.610 3.073) 3.134 11.088 ( -2.073 7.216 -2.402) 7.883 11.141 ( 1.503 5.280 -1.254) 5.631 11.394 ( -1.314 1.394 3.121) 3.662 11.432 ( 5.459 6.475 4.042) 9.385 11.692 ( 4.181 -4.558 -1.648) 6.402 11.739 ( 6.476 -0.822 -3.407) 7.364 11.865 ( 3.729 -4.958 -3.122) 6.945 11.904 ( 6.579 -6.590 -3.291) 9.876 11.991 ( 8.102 0.597 0.580) 8.145 12.080 ( 7.118 -2.393 -0.293) 7.516 12.196 ( 9.138 -2.212 -1.241) 9.484 12.229 ( 8.852 -3.155 -2.211) 9.654 12.385 ( -0.575 -4.369 -4.460) 6.269 12.533 ( 1.081 1.224 -1.277) 2.074 12.728 ( 6.648 -1.696 2.697) 7.372 12.835 ( 6.514 4.413 -8.241) 11.394 12.955 ( 12.191 -0.497 -0.032) 12.202 13.048 ( 8.541 3.635 1.326) 9.377 13.197 ( 4.274 5.622 -5.502) 8.953 13.357 ( 0.505 -7.226 -2.504) 7.664 13.480 ( 3.926 -1.304 -1.790) 4.508 13.677 ( 6.134 2.722 6.747) 9.516 13.874 ( 3.349 -7.970 -5.063) 10.019 13.994 ( -0.353 -8.487 4.210) 9.481 14.243 ( 0.136 -0.426 10.067) 10.077 14.335 ( 7.470 3.949 -2.808) 8.904 14.441 ( -4.119 5.708 -1.681) 7.237 14.599 ( -6.570 2.445 -4.742) 8.463 14.792 ( -3.855 6.793 1.541) 7.961 15.070 ( -0.102 3.353 1.300) 3.598 15.176 ( -7.299 -0.254 7.174) 10.237 15.418 ( -9.809 -5.462 -1.885) 11.384 15.606 ( -9.602 -2.303 3.207) 10.382 15.676 ( -8.408 -0.914 -1.215) 8.544 15.724 ( -8.526 -0.919 -0.389) 8.584 15.735 ( -6.276 -0.442 -2.351) 6.717 20.108 ( 4.964 -1.622 -0.272) 5.229 20.150 ( 4.412 -1.273 -1.034) 4.707 20.172 ( 5.118 -0.972 -0.100) 5.210 20.268 ( 7.365 -3.054 -3.070) 8.544 20.923 ( 2.422 2.773 2.085) 4.231 21.048 ( 4.607 4.553 -0.443) 6.493 21.128 ( 1.615 1.000 4.418) 4.809 21.262 ( -2.642 9.310 1.786) 9.841 21.373 ( -3.121 16.847 -3.082) 17.408 21.461 ( 2.574 -1.255 -1.528) 3.246 21.702 ( -2.392 3.148 -0.155) 3.956 21.718 ( -1.758 4.245 0.373) 4.609 21.901 ( 4.728 -2.549 -1.811) 5.668 21.987 ( 8.787 -4.217 3.904) 10.499 22.473 ( -8.141 -13.621 1.976) 15.991 22.602 ( -8.565 -10.612 -4.374) 14.321 22.838 ( -0.327 0.544 -4.547) 4.591 22.879 ( 1.706 -0.750 -0.140) 1.869 23.014 ( 1.353 3.009 -2.794) 4.323 23.086 ( 3.937 1.333 -5.698) 7.053 23.338 ( -10.872 5.425 12.688) 17.567 23.659 ( -2.944 -6.686 3.697) 8.187 24.066 ( -17.915 6.224 11.093) 21.971 24.334 ( -17.629 -1.465 -7.414) 19.181 26.212 ( 2.283 0.407 0.439) 2.360 26.271 ( 3.499 -1.123 1.708) 4.052 26.297 ( 4.619 0.167 -0.284) 4.630 26.414 ( 5.157 -3.389 -4.434) 7.599 ======================= Grid point 45 (23/54) ======================= q-point: ( 0.43 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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| 1.607 ( 10.527 6.771 1.683) 12.629 1.685 ( 17.900 7.567 -1.356) 19.481 1.942 ( -3.189 -3.011 4.436) 6.238 2.053 ( -6.060 1.129 3.353) 7.018 2.126 ( 11.377 1.329 7.378) 13.625 2.228 ( 4.652 -3.614 -9.002) 10.758 2.255 ( 5.677 -0.994 -7.821) 9.715 2.408 ( 3.576 -3.137 -1.040) 4.869 2.413 ( -14.340 -3.383 -0.299) 14.737 2.490 ( -0.433 -9.193 0.880) 9.245 2.521 ( 5.691 1.070 -4.269) 7.194 2.609 ( 7.661 -5.938 1.544) 9.815 2.655 ( 5.334 -3.170 -0.198) 6.209 2.720 ( -0.934 0.140 1.208) 1.534 2.796 ( 0.930 -3.439 -2.304) 4.242 2.854 ( -1.946 1.426 5.195) 5.727 2.868 ( -1.684 -6.480 0.741) 6.736 2.919 ( -3.043 3.104 2.456) 4.993 3.015 ( -0.238 -1.165 -0.297) 1.225 3.052 ( -0.771 1.500 1.693) 2.390 3.130 ( -3.659 5.318 -1.632) 6.658 3.196 ( 0.991 -2.163 -2.490) 3.444 3.236 ( -3.879 4.900 -0.172) 6.252 3.253 ( 4.014 1.727 0.848) 4.452 3.366 ( -0.481 -0.645 -2.094) 2.243 3.429 ( -2.003 4.627 -1.283) 5.202 3.501 ( 1.145 1.256 0.042) 1.700 3.573 ( 2.107 2.863 2.832) 4.545 3.630 ( 3.958 3.849 1.002) 5.611 3.698 ( 8.551 0.706 7.054) 11.107 3.757 ( 3.134 3.718 -0.414) 4.881 3.893 ( -1.908 0.841 0.209) 2.096 3.925 ( 11.347 7.745 1.689) 13.841 3.998 ( 1.696 4.139 -0.159) 4.476 4.072 ( -4.073 0.949 -3.188) 5.259 4.140 ( 8.851 3.060 7.455) 11.970 4.187 ( -2.515 0.866 0.028) 2.660 4.239 ( 0.939 5.529 -2.076) 5.980 4.346 ( -7.590 -2.108 -0.960) 7.935 4.358 ( -10.604 2.204 -2.471) 11.109 4.452 ( -0.972 -4.022 -0.017) 4.138 4.468 ( -2.578 -1.895 0.050) 3.200 4.569 ( -5.232 -0.314 -1.925) 5.584 4.648 ( 7.220 -0.921 -2.255) 7.619 4.695 ( 5.633 -0.583 0.755) 5.714 4.719 ( 4.067 -1.086 -0.809) 4.287 4.777 ( -4.982 -2.571 -3.055) 6.385 4.846 ( 0.748 0.360 -2.059) 2.220 4.934 ( -2.320 3.520 0.819) 4.295 4.976 ( -0.994 -3.533 0.807) 3.758 5.019 ( 0.879 -0.550 -5.077) 5.181 5.098 ( -9.429 1.913 1.880) 9.803 5.233 ( -0.132 1.947 -1.536) 2.484 5.292 ( 0.584 3.853 -3.621) 5.320 5.362 ( 6.120 -2.785 -1.415) 6.871 5.427 ( 4.064 -1.869 1.840) 4.837 5.465 ( 0.736 -1.740 -1.011) 2.143 5.483 ( 5.421 -2.170 -0.036) 5.839 5.611 ( 1.337 -2.646 -1.306) 3.239 5.672 ( -1.299 -1.036 -0.272) 1.684 5.696 ( 2.466 0.518 2.335) 3.435 5.775 ( 1.027 -2.215 0.764) 2.558 5.786 ( 0.620 -4.036 -2.555) 4.817 5.878 ( -7.253 0.169 3.756) 8.170 5.950 ( -1.894 1.992 0.144) 2.752 5.977 ( -4.209 0.762 1.701) 4.603 6.078 ( -7.768 0.574 0.495) 7.805 6.118 ( -2.265 0.144 3.066) 3.814 6.463 ( -7.694 9.604 -0.074) 12.306 6.503 ( -4.056 4.416 -4.753) 7.651 6.693 ( -2.775 0.053 5.210) 5.903 6.783 ( -0.080 3.931 1.166) 4.101 6.968 ( 2.204 2.603 0.152) 3.415 7.041 ( -1.610 3.970 -0.280) 4.293 7.080 ( -0.010 -1.189 -2.723) 2.972 7.133 ( 1.121 3.388 4.711) 5.910 7.184 ( -1.118 -0.438 -3.131) 3.354 7.293 ( -1.116 -4.684 0.628) 4.856 7.308 ( 0.189 -3.081 2.454) 3.943 7.496 ( -0.982 -5.504 -3.081) 6.384 7.622 ( -1.319 -3.997 0.399) 4.227 7.655 ( -1.562 -2.804 3.044) 4.423 7.836 ( -0.160 4.133 2.272) 4.719 7.918 ( -1.585 0.967 -1.759) 2.558 8.264 ( -0.462 1.676 0.723) 1.883 8.406 ( 0.721 3.104 -1.229) 3.415 8.458 ( -2.171 1.017 -3.257) 4.044 8.605 ( -0.388 -0.234 0.722) 0.852 8.656 ( 2.693 -4.545 2.786) 5.973 8.662 ( 3.010 -0.943 -0.862) 3.270 8.743 ( 0.947 5.249 -2.960) 6.100 8.847 ( -3.463 -0.465 3.163) 4.713 8.901 ( 3.069 -1.168 -4.962) 5.951 8.948 ( 3.576 4.676 7.270) 9.354 9.042 ( -1.592 0.219 -1.892) 2.482 9.084 ( 1.097 2.197 1.703) 2.988 9.125 ( -1.401 -5.047 -0.467) 5.259 9.181 ( 1.977 -4.256 -0.817) 4.763 9.236 ( -2.242 2.259 -3.278) 4.569 9.281 ( 2.114 0.992 4.963) 5.485 9.396 ( 2.583 5.753 3.335) 7.134 9.523 ( 2.410 0.336 7.610) 7.990 9.601 ( -1.013 3.259 2.038) 3.976 9.725 ( 3.294 -2.667 0.465) 4.264 9.769 ( 3.756 2.836 2.664) 5.408 9.863 ( -4.643 1.854 1.375) 5.185 9.882 ( -3.054 -2.934 -0.830) 4.315 9.938 ( -2.768 1.675 -1.597) 3.608 9.984 ( 1.094 -1.316 2.775) 3.260 10.145 ( 0.118 -0.112 3.895) 3.898 10.174 ( -0.989 4.006 -2.115) 4.637 10.359 ( -4.312 0.111 -2.358) 4.916 10.509 ( 0.804 -12.349 -7.003) 14.219 10.561 ( -5.804 -5.544 -3.994) 8.965 10.703 ( 6.386 -2.886 -0.828) 7.056 10.893 ( -4.763 -5.442 1.397) 7.366 11.092 ( 4.923 11.365 -1.646) 12.494 11.225 ( 4.719 0.752 5.040) 6.945 11.384 ( -2.438 1.575 5.229) 5.980 11.482 ( -2.345 6.369 2.310) 7.170 11.735 ( 1.841 -4.538 -3.313) 5.913 11.797 ( 2.112 -3.745 -5.249) 6.785 11.886 ( 2.821 -4.933 -2.678) 6.282 11.988 ( 2.545 -8.839 0.464) 9.209 12.093 ( 2.476 2.802 -0.761) 3.816 12.124 ( 1.307 -4.628 -4.042) 6.282 12.313 ( 4.447 2.727 -4.623) 6.970 12.346 ( 4.469 2.451 -1.674) 5.365 12.355 ( 1.688 -0.881 -1.978) 2.746 12.542 ( 0.240 4.775 0.159) 4.784 12.812 ( 4.155 2.653 0.097) 4.930 12.966 ( 4.078 -5.918 -5.027) 8.771 13.098 ( -1.405 -3.833 -2.652) 4.868 13.185 ( 5.568 -1.305 -5.658) 8.045 13.283 ( 14.597 0.275 -1.646) 14.692 13.375 ( 3.056 -3.303 2.184) 5.002 13.539 ( -0.355 -3.031 6.195) 6.906 13.718 ( -6.066 -6.665 -1.201) 9.092 13.918 ( 7.397 1.139 -1.636) 7.661 14.018 ( -1.369 -1.731 9.682) 9.931 14.256 ( -9.840 7.236 -2.673) 12.503 14.292 ( -3.609 7.639 2.018) 8.687 14.472 ( 5.337 6.442 -0.946) 8.419 14.513 ( 2.583 0.707 -3.708) 4.574 14.768 ( -0.018 3.691 2.063) 4.228 15.076 ( -6.719 0.305 6.915) 9.646 15.139 ( 4.911 -1.466 2.869) 5.873 15.206 ( -9.871 -2.901 -1.451) 10.390 15.482 ( -4.169 -3.661 0.458) 5.568 15.543 ( -6.071 -3.987 0.498) 7.280 15.595 ( -3.139 0.409 -2.320) 3.925 15.654 ( -1.239 -1.099 -2.717) 3.182 20.173 ( 2.054 -1.102 0.066) 2.332 20.211 ( 2.643 -1.150 -1.497) 3.248 20.243 ( 1.303 -2.116 1.632) 2.973 20.368 ( 5.759 -6.613 -2.551) 9.133 20.989 ( 2.741 3.031 2.896) 5.009 21.123 ( 1.639 0.595 2.542) 3.083 21.193 ( -1.741 5.729 0.281) 5.994 21.218 ( 1.779 9.513 1.876) 9.858 21.324 ( -1.003 12.531 3.067) 12.940 21.466 ( -0.344 2.251 -1.489) 2.721 21.680 ( -0.184 3.381 1.111) 3.564 21.694 ( -0.837 4.791 0.541) 4.893 22.018 ( 8.352 -7.020 -1.517) 11.016 22.187 ( 6.579 -2.700 2.016) 7.392 22.293 ( -9.413 -11.631 -4.275) 15.562 22.417 ( -7.081 -10.485 2.882) 12.976 22.803 ( 0.525 0.580 -5.286) 5.344 22.898 ( 0.764 -2.596 -4.037) 4.860 22.975 ( -2.646 3.314 -3.713) 5.636 23.106 ( 0.912 0.943 -5.401) 5.558 23.282 ( -2.117 9.001 9.198) 13.043 23.688 ( -4.963 -4.793 10.580) 12.631 23.862 ( -6.367 3.842 0.779) 7.477 24.003 ( -8.399 -1.504 -7.936) 11.653 26.247 ( 0.957 0.580 0.669) 1.303 26.324 ( 0.729 -1.402 1.855) 2.437 26.357 ( 1.852 0.174 -1.081) 2.152 26.459 ( 2.850 -2.472 -2.172) 4.354 ======================= Grid point 46 (24/54) ======================= q-point: (-0.43 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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| 1.711 ( -21.547 5.271 0.963) 22.203 1.740 ( -4.574 2.884 -0.619) 5.442 1.821 ( -11.819 0.904 5.964) 13.269 1.913 ( 7.425 4.777 -5.304) 10.300 2.071 ( -7.304 -0.102 5.452) 9.115 2.300 ( 1.614 -5.635 -3.394) 6.773 2.371 ( 1.760 -0.644 -3.444) 3.921 2.417 ( 5.670 -3.024 3.327) 7.236 2.490 ( 4.591 -10.097 0.136) 11.093 2.571 ( 5.151 -7.751 3.600) 9.978 2.617 ( 5.362 -0.111 -3.601) 6.460 2.662 ( 0.625 -1.329 -1.588) 2.163 2.686 ( -1.725 0.248 -3.725) 4.112 2.741 ( -0.784 -0.080 3.556) 3.642 2.751 ( 1.195 -1.496 2.452) 3.111 2.825 ( -0.045 -3.291 3.492) 4.799 2.862 ( -3.411 0.739 0.034) 3.490 2.884 ( 1.082 -2.401 2.910) 3.925 2.989 ( -0.533 0.345 -3.387) 3.446 3.034 ( -0.921 -1.837 0.030) 2.055 3.143 ( -1.187 5.546 -3.293) 6.559 3.181 ( 1.155 4.968 2.162) 5.539 3.187 ( -4.020 2.221 0.477) 4.618 3.316 ( 0.512 1.304 -1.785) 2.269 3.348 ( -1.684 -0.097 -0.609) 1.793 3.397 ( -1.581 4.515 1.741) 5.091 3.468 ( -5.153 5.871 -0.984) 7.874 3.565 ( -9.633 -1.433 -1.081) 9.798 3.604 ( -3.313 3.383 3.723) 6.023 3.668 ( -11.924 2.419 1.422) 12.249 3.768 ( -4.970 4.618 2.667) 7.290 3.812 ( -3.621 2.325 -2.383) 4.919 3.908 ( -2.946 5.818 -3.063) 7.205 4.037 ( 0.947 3.134 1.248) 3.504 4.068 ( 11.239 1.466 1.730) 11.465 4.140 ( -0.465 1.539 -3.187) 3.570 4.168 ( -0.206 -0.142 1.644) 1.663 4.242 ( 3.760 3.434 -2.037) 5.484 4.306 ( 5.454 -0.705 -1.106) 5.610 4.376 ( -2.235 -2.166 1.273) 3.363 4.417 ( -12.103 -2.388 2.034) 12.503 4.486 ( 2.909 -0.151 5.650) 6.356 4.537 ( -4.622 -1.102 -8.381) 9.634 4.587 ( 5.714 -5.118 0.475) 7.685 4.704 ( 3.026 -1.311 -0.437) 3.327 4.811 ( -3.848 3.549 -1.759) 5.523 4.839 ( 6.512 -2.403 -1.075) 7.024 4.904 ( -6.776 -0.082 -1.248) 6.890 4.957 ( 1.519 3.088 -3.483) 4.896 5.002 ( 15.075 0.375 5.579) 16.078 5.036 ( 2.439 -0.527 0.247) 2.508 5.057 ( 8.962 2.695 0.701) 9.385 5.221 ( 1.039 2.708 -0.428) 2.932 5.313 ( 4.449 -0.488 -2.462) 5.109 5.400 ( -5.186 -0.794 -2.878) 5.984 5.470 ( 1.056 -6.323 -0.033) 6.411 5.490 ( -0.776 -5.506 -1.022) 5.653 5.546 ( 3.455 -0.567 -1.692) 3.888 5.639 ( 3.097 0.635 -1.373) 3.446 5.653 ( -4.000 -1.858 -0.391) 4.428 5.689 ( -1.526 -0.978 3.459) 3.905 5.735 ( 0.292 4.421 1.783) 4.776 5.844 ( 2.131 -3.359 0.422) 4.000 5.866 ( 0.070 -1.647 0.286) 1.673 5.926 ( -0.635 -0.808 -0.042) 1.028 5.952 ( 1.666 0.938 1.717) 2.570 6.033 ( 4.298 2.036 1.096) 4.881 6.141 ( 2.056 -1.081 3.478) 4.183 6.404 ( 3.656 9.816 -2.326) 10.730 6.433 ( 0.799 7.372 -5.039) 8.965 6.687 ( -1.129 2.027 2.850) 3.675 6.807 ( 1.747 2.716 1.192) 3.442 7.000 ( 0.750 1.994 0.027) 2.131 7.031 ( 0.440 0.973 -0.840) 1.359 7.059 ( -0.206 -2.778 0.012) 2.785 7.152 ( 0.248 0.939 1.493) 1.781 7.203 ( 1.485 2.343 3.452) 4.429 7.275 ( -0.399 -1.357 -1.782) 2.276 7.322 ( -0.607 -2.442 3.993) 4.720 7.454 ( -2.017 -8.345 -2.291) 8.885 7.642 ( 2.814 1.157 -1.912) 3.594 7.653 ( -0.728 -3.734 4.392) 5.811 7.844 ( -0.371 4.489 1.236) 4.671 7.899 ( 0.980 0.745 -2.575) 2.854 8.265 ( 0.303 4.385 -0.437) 4.417 8.398 ( -3.383 0.985 1.764) 3.941 8.418 ( 3.341 0.602 -5.324) 6.314 8.588 ( -1.655 -1.613 -1.303) 2.654 8.672 ( -1.010 -6.762 2.361) 7.233 8.701 ( 2.317 1.027 -3.769) 4.542 8.750 ( -1.622 1.583 1.212) 2.570 8.834 ( 0.432 -0.060 5.176) 5.194 8.919 ( 1.878 -1.424 -3.384) 4.124 8.993 ( -1.554 -3.454 -1.533) 4.086 9.029 ( -1.999 1.255 0.422) 2.398 9.080 ( 1.279 7.786 6.087) 9.966 9.125 ( -0.031 -4.037 -1.584) 4.337 9.174 ( -1.211 1.830 -0.419) 2.234 9.213 ( 0.046 -5.069 1.383) 5.255 9.298 ( -1.814 6.040 2.213) 6.684 9.464 ( -0.219 0.846 5.555) 5.624 9.541 ( -4.425 2.516 5.706) 7.647 9.625 ( 0.372 3.715 1.817) 4.152 9.713 ( -6.711 -2.383 2.110) 7.427 9.798 ( -3.385 0.419 3.354) 4.784 9.818 ( -0.153 -0.835 2.712) 2.842 9.870 ( 4.194 -3.141 -0.597) 5.274 9.917 ( 1.999 4.152 0.195) 4.613 10.058 ( 3.369 -2.535 2.653) 4.981 10.152 ( 0.809 1.121 -1.920) 2.366 10.198 ( 0.730 5.051 -2.582) 5.720 10.315 ( 3.067 0.318 -1.808) 3.574 10.440 ( -1.882 -6.253 -3.076) 7.218 10.500 ( 1.453 -8.288 -6.156) 10.426 10.794 ( -0.279 -6.880 0.351) 6.895 10.840 ( 3.540 0.092 0.228) 3.548 11.165 ( 3.209 10.330 -0.744) 10.842 11.323 ( -3.676 2.386 1.755) 4.721 11.353 ( 3.135 -2.077 2.616) 4.581 11.455 ( -3.555 6.033 8.097) 10.705 11.728 ( 0.589 0.905 -1.930) 2.212 11.760 ( -0.515 -5.325 -7.410) 9.140 11.912 ( -0.784 -9.827 -1.505) 9.972 11.988 ( -2.472 -1.799 -1.075) 3.240 12.072 ( -3.644 -1.300 -2.810) 4.782 12.088 ( -1.863 -0.711 -2.769) 3.412 12.291 ( -1.943 2.454 -5.276) 6.134 12.355 ( -2.546 3.878 -2.965) 5.506 12.454 ( 7.170 -1.866 1.632) 7.587 12.525 ( -2.842 5.366 -0.849) 6.131 12.809 ( -7.517 -6.905 -5.959) 11.820 12.869 ( -3.082 -5.751 -0.719) 6.564 13.045 ( -3.432 -5.138 0.603) 6.209 13.201 ( -0.192 -0.528 -5.734) 5.761 13.369 ( -3.043 -2.177 -0.392) 3.762 13.465 ( -1.968 0.488 1.478) 2.509 13.531 ( -8.463 -4.498 -3.923) 10.356 13.652 ( 5.755 0.047 7.839) 9.725 13.968 ( -5.801 7.321 2.663) 9.713 14.050 ( -7.552 5.797 -2.492) 9.841 14.073 ( 4.591 -4.728 4.432) 7.942 14.290 ( 3.422 2.020 -3.163) 5.078 14.509 ( 2.493 7.163 -0.572) 7.606 14.623 ( 7.558 -0.152 -1.543) 7.716 14.804 ( 0.810 3.558 7.313) 8.173 14.990 ( -5.338 -0.959 2.553) 5.994 15.093 ( -1.628 2.988 1.518) 3.726 15.319 ( 9.832 -4.992 2.993) 11.425 15.467 ( -1.096 -5.743 -1.003) 5.932 15.492 ( 5.217 -4.086 -0.665) 6.660 15.600 ( 5.093 0.894 -2.091) 5.577 15.654 ( 3.178 -1.067 -2.438) 4.146 20.178 ( -1.525 -1.473 -0.058) 2.121 20.216 ( -1.658 -0.795 -0.632) 1.945 20.228 ( -3.162 -1.562 0.653) 3.586 20.443 ( 3.519 -10.189 -1.278) 10.855 21.036 ( -1.420 2.316 4.659) 5.393 21.113 ( -5.014 4.494 -0.483) 6.750 21.137 ( -1.015 1.599 3.575) 4.046 21.232 ( -0.968 6.656 0.982) 6.797 21.442 ( 0.627 8.056 0.250) 8.084 21.456 ( 7.853 5.278 2.194) 9.713 21.681 ( -0.081 5.535 1.561) 5.751 21.743 ( 4.254 8.388 4.732) 10.529 22.027 ( -10.878 -7.642 -4.488) 14.031 22.127 ( -6.983 -2.586 4.973) 8.954 22.168 ( 4.822 -12.322 -7.467) 15.194 22.555 ( 12.288 2.956 -1.978) 12.792 22.801 ( 2.037 -1.077 -0.789) 2.436 22.843 ( -1.617 1.018 -3.843) 4.292 22.939 ( 1.086 -5.889 -3.617) 6.995 23.053 ( -1.319 -1.835 -5.410) 5.863 23.301 ( -3.367 7.264 3.913) 8.912 23.541 ( -13.882 -1.510 9.581) 16.935 23.772 ( 3.032 6.073 -5.308) 8.617 24.125 ( 16.390 -2.989 -1.134) 16.698 26.251 ( -1.213 0.509 0.928) 1.609 26.317 ( -2.296 -1.280 0.869) 2.769 26.345 ( -2.097 0.678 -0.928) 2.391 26.497 ( 2.115 -3.616 -1.135) 4.340 ======================= Grid point 47 (25/54) ======================= q-point: (-0.29 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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| 1.267 ( -26.406 11.148 1.305) 28.692 1.350 ( -25.959 9.716 3.526) 27.941 1.816 ( 0.653 -2.535 -6.560) 7.062 1.970 ( 0.560 4.902 -1.704) 5.220 2.031 ( -3.027 -4.638 9.592) 11.076 2.200 ( -14.577 -1.832 -1.199) 14.740 2.295 ( -7.293 2.760 -1.346) 7.913 2.422 ( -6.323 -9.634 -0.842) 11.554 2.484 ( -6.015 3.794 0.359) 7.121 2.545 ( -2.736 0.428 -4.820) 5.559 2.585 ( 0.266 0.154 -3.612) 3.625 2.638 ( -8.889 0.300 -3.273) 9.477 2.684 ( 0.672 -4.083 -0.589) 4.180 2.741 ( -3.780 -2.135 -0.112) 4.343 2.756 ( -6.127 2.412 0.619) 6.614 2.845 ( 3.938 1.498 1.010) 4.333 2.862 ( -3.011 1.334 2.368) 4.056 2.888 ( -0.423 -2.767 2.146) 3.527 2.992 ( 1.961 0.536 -1.914) 2.792 3.014 ( 3.129 -1.770 1.524) 3.905 3.071 ( 0.691 0.902 1.792) 2.122 3.123 ( -4.298 1.245 -0.295) 4.484 3.172 ( 2.384 4.373 0.945) 5.070 3.253 ( 1.729 1.204 1.798) 2.770 3.328 ( -1.531 0.654 -1.501) 2.242 3.345 ( -3.853 0.822 -1.661) 4.275 3.400 ( -0.574 3.823 0.785) 3.945 3.460 ( -2.791 7.481 -0.101) 7.985 3.577 ( 0.468 -4.862 2.793) 5.627 3.620 ( 1.915 -0.869 -0.538) 2.171 3.710 ( -4.557 2.316 -1.727) 5.396 3.826 ( -1.022 5.092 4.402) 6.808 3.888 ( 1.810 4.290 0.782) 4.721 3.999 ( -9.422 0.033 -1.376) 9.522 4.070 ( -7.072 0.173 -1.248) 7.183 4.094 ( -7.469 -0.316 2.312) 7.825 4.131 ( -2.862 -9.757 -0.956) 10.213 4.269 ( -0.722 -0.950 2.726) 2.976 4.309 ( 1.730 -0.256 4.143) 4.498 4.376 ( 8.952 1.956 -5.711) 10.797 4.406 ( 4.673 -4.848 -0.510) 6.753 4.528 ( 2.875 -0.030 -0.783) 2.980 4.622 ( 5.851 1.285 2.733) 6.584 4.699 ( 5.408 -0.489 -0.246) 5.436 4.718 ( -1.635 1.442 -2.065) 3.003 4.757 ( -0.997 1.212 -3.000) 3.386 4.819 ( 2.950 -1.368 -1.149) 3.449 4.898 ( 0.647 1.600 -3.801) 4.174 4.978 ( 6.417 -4.603 1.600) 8.057 5.077 ( 4.538 0.919 -1.070) 4.752 5.126 ( -6.287 0.034 1.893) 6.566 5.201 ( -3.909 2.257 -0.036) 4.514 5.271 ( 6.682 6.732 -0.252) 9.488 5.346 ( 4.227 1.202 0.014) 4.395 5.368 ( -4.595 -2.916 -2.718) 6.083 5.395 ( -9.960 0.817 1.408) 10.092 5.483 ( 4.960 -2.109 5.500) 7.700 5.566 ( 0.757 -4.348 -7.327) 8.553 5.594 ( 4.047 1.682 -2.790) 5.195 5.613 ( 1.906 -8.311 -5.054) 9.912 5.739 ( 1.054 -0.314 -3.547) 3.714 5.796 ( 3.461 0.920 1.339) 3.823 5.858 ( 2.350 -5.753 -2.678) 6.767 5.923 ( 6.910 0.392 2.589) 7.390 5.951 ( 2.793 -2.220 -0.472) 3.599 6.060 ( 5.846 -1.779 6.672) 9.047 6.196 ( 8.279 2.103 4.108) 9.478 6.245 ( 8.252 3.389 1.119) 8.991 6.463 ( 5.585 7.840 -3.404) 10.211 6.534 ( 8.161 8.017 0.972) 11.481 6.684 ( 0.180 3.896 1.099) 4.052 6.854 ( 1.970 5.467 2.359) 6.272 6.993 ( 0.074 0.512 -4.962) 4.989 7.024 ( -3.151 -1.975 4.455) 5.804 7.056 ( 1.605 1.844 -4.107) 4.780 7.191 ( -1.366 0.425 5.062) 5.261 7.238 ( -0.652 0.023 3.629) 3.687 7.289 ( 4.380 0.492 -1.339) 4.607 7.351 ( 0.704 -1.723 5.836) 6.125 7.394 ( -1.857 -4.874 -1.369) 5.392 7.637 ( -1.034 -1.827 -0.279) 2.118 7.725 ( 4.296 -0.250 2.102) 4.790 7.828 ( -1.398 4.119 -0.481) 4.377 7.912 ( 2.254 2.089 -3.084) 4.354 8.279 ( 2.081 4.446 -0.792) 4.973 8.373 ( -0.498 1.451 1.482) 2.133 8.447 ( 1.599 -2.819 -3.060) 4.457 8.522 ( -3.201 -2.751 -3.468) 5.463 8.652 ( -3.366 -2.336 3.565) 5.431 8.690 ( 0.713 0.472 -5.402) 5.469 8.746 ( -0.529 -1.995 1.881) 2.793 8.836 ( -4.212 0.029 4.233) 5.971 8.924 ( -2.142 -0.809 -2.198) 3.174 8.940 ( -0.091 -0.135 -3.554) 3.557 9.017 ( 0.943 -3.743 2.770) 4.751 9.083 ( -4.533 -2.591 2.622) 5.843 9.151 ( 0.846 0.393 3.155) 3.290 9.163 ( -6.012 -1.399 0.828) 6.228 9.200 ( 2.842 7.117 3.625) 8.478 9.313 ( 2.089 5.392 2.509) 6.304 9.428 ( -5.634 1.481 4.088) 7.117 9.496 ( -3.047 1.099 2.222) 3.927 9.592 ( -4.754 2.468 1.814) 5.656 9.641 ( -1.237 3.142 0.753) 3.460 9.712 ( -3.570 1.835 1.473) 4.275 9.888 ( 4.164 0.392 2.977) 5.134 9.931 ( -0.294 -1.776 -0.424) 1.850 10.004 ( 5.486 0.901 2.006) 5.910 10.062 ( -3.355 1.778 -9.032) 9.797 10.145 ( 4.182 -5.164 1.686) 6.855 10.210 ( 3.191 -1.144 -0.363) 3.409 10.339 ( -4.511 -8.684 2.970) 10.227 10.502 ( 9.193 -1.858 -0.651) 9.401 10.533 ( 6.207 -5.920 -4.396) 9.639 10.806 ( 4.735 2.202 -1.804) 5.525 10.938 ( 4.584 1.574 0.731) 4.902 11.170 ( -1.632 3.665 -3.729) 5.478 11.272 ( -0.225 3.375 -0.700) 3.454 11.417 ( -6.127 6.608 10.290) 13.678 11.429 ( 1.078 0.982 0.159) 1.467 11.682 ( -4.058 -1.666 -5.446) 6.993 11.762 ( -9.340 -5.065 -7.259) 12.868 11.790 ( 3.250 1.098 4.494) 5.653 11.922 ( -4.452 -1.378 -0.606) 4.699 11.950 ( -6.438 -4.282 -3.582) 8.522 12.040 ( -2.042 -4.122 -1.686) 4.899 12.177 ( -8.363 0.495 -3.079) 8.925 12.209 ( -9.006 0.263 -3.422) 9.637 12.407 ( -8.334 2.544 -4.306) 9.720 12.498 ( -5.280 4.157 -0.024) 6.720 12.688 ( -2.177 -12.985 -7.875) 15.342 12.778 ( -1.812 -3.718 3.728) 5.568 13.061 ( 0.973 -0.783 2.301) 2.618 13.102 ( -5.875 -2.388 -0.457) 6.358 13.244 ( -5.708 1.218 -2.818) 6.482 13.353 ( -3.823 -2.129 -5.851) 7.306 13.462 ( -1.461 -3.141 -3.826) 5.161 13.568 ( -12.486 4.718 3.522) 13.804 13.869 ( -11.056 1.316 1.258) 11.205 14.073 ( 5.827 -5.442 1.713) 8.156 14.139 ( 1.054 -4.020 1.217) 4.330 14.302 ( -0.950 -3.651 0.078) 3.773 14.547 ( 1.509 9.281 -2.131) 9.642 14.737 ( 6.543 1.033 -3.467) 7.477 14.893 ( 0.286 -0.795 6.288) 6.345 14.953 ( 0.320 4.681 8.717) 9.899 15.112 ( 1.654 2.001 1.267) 2.889 15.482 ( 7.049 -6.397 0.451) 9.529 15.517 ( 6.896 -2.969 -0.777) 7.548 15.639 ( 10.397 -2.376 -1.861) 10.826 15.730 ( 9.053 -0.427 -0.689) 9.089 15.747 ( 8.354 -0.444 -0.912) 8.415 20.124 ( -3.910 -1.201 -0.700) 4.150 20.139 ( -5.277 -2.419 0.697) 5.847 20.171 ( -3.481 0.295 -0.682) 3.559 20.454 ( -2.320 -14.413 -1.687) 14.695 20.985 ( -6.818 0.480 4.529) 8.199 21.026 ( -3.189 4.432 -0.915) 5.537 21.151 ( -1.756 0.121 4.701) 5.020 21.225 ( 0.007 7.709 0.426) 7.721 21.402 ( -2.469 -1.063 -2.877) 3.937 21.615 ( 6.233 5.422 -1.152) 8.341 21.695 ( 0.319 3.604 0.781) 3.701 21.845 ( -5.803 -4.770 -2.155) 7.815 21.880 ( 2.946 7.276 2.127) 8.133 22.099 ( 8.110 18.780 10.666) 23.070 22.218 ( 4.078 -8.675 -10.661) 14.337 22.619 ( 0.836 6.688 -6.120) 9.104 22.838 ( 0.473 -1.760 -0.608) 1.921 22.869 ( 2.910 -0.973 0.022) 3.069 22.923 ( -0.385 -4.237 -1.450) 4.495 23.066 ( 4.433 0.034 -2.574) 5.126 23.288 ( 1.591 -4.519 7.400) 8.816 23.374 ( -8.191 -2.589 6.112) 10.543 23.901 ( 10.835 12.704 -1.391) 16.755 24.433 ( 17.181 -2.918 -1.190) 17.467 26.218 ( -2.859 0.353 0.921) 3.024 26.262 ( -3.650 -0.648 -0.154) 3.710 26.283 ( -4.141 0.548 0.093) 4.178 26.502 ( -1.019 -6.856 -2.327) 7.311 ======================= Grid point 48 (26/54) ======================= q-point: (-0.14 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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| 0.815 ( -22.191 19.365 1.129) 29.474 0.955 ( -21.221 20.328 11.399) 31.520 1.630 ( -32.686 33.479 14.583) 49.008 1.759 ( 1.215 -5.642 -14.982) 16.055 2.018 ( -1.843 -6.198 1.543) 6.648 2.092 ( -2.622 -3.813 -1.305) 4.808 2.128 ( -3.184 -1.847 1.277) 3.896 2.294 ( -6.149 -3.124 -5.526) 8.838 2.374 ( -4.767 -5.674 0.644) 7.438 2.460 ( -0.870 -0.063 -6.940) 6.995 2.512 ( -0.344 2.422 -3.421) 4.206 2.596 ( 0.565 3.264 -3.655) 4.932 2.629 ( -3.705 -3.663 -0.522) 5.237 2.674 ( 1.083 0.756 -0.974) 1.641 2.752 ( -0.702 -1.095 4.087) 4.289 2.810 ( -2.873 -2.623 -2.711) 4.742 2.846 ( -4.290 -0.620 4.183) 6.023 2.941 ( 2.414 3.952 3.275) 5.672 2.960 ( -2.136 -0.019 3.180) 3.831 3.025 ( -0.561 -0.741 -1.980) 2.187 3.112 ( -2.311 3.725 0.923) 4.479 3.148 ( 1.360 4.501 -1.669) 4.989 3.164 ( -0.598 0.770 -2.538) 2.719 3.266 ( -2.080 -0.659 1.359) 2.570 3.293 ( 1.713 1.582 0.260) 2.346 3.352 ( 1.256 -0.185 0.991) 1.611 3.429 ( 1.819 1.634 3.035) 3.898 3.497 ( 6.751 5.297 3.302) 9.195 3.580 ( -1.886 1.161 -1.722) 2.806 3.676 ( 5.057 -0.506 -4.886) 7.050 3.691 ( 1.397 -5.351 2.169) 5.941 3.788 ( -2.993 1.560 -3.529) 4.883 3.821 ( -3.138 2.203 4.195) 5.683 3.876 ( -4.174 2.771 0.972) 5.103 3.966 ( 0.680 -7.927 -1.061) 8.026 4.013 ( -7.439 -3.904 4.262) 9.420 4.128 ( 1.296 -7.058 -0.822) 7.223 4.179 ( -7.891 -5.166 -1.174) 9.504 4.290 ( -8.126 -5.590 -1.515) 9.979 4.422 ( 3.476 -3.625 4.604) 6.814 4.503 ( 0.015 2.141 -1.096) 2.405 4.594 ( 4.148 2.723 0.488) 4.986 4.612 ( -2.893 2.442 -2.176) 4.367 4.693 ( -0.733 1.146 -2.948) 3.247 4.768 ( -4.654 -0.306 -4.928) 6.785 4.818 ( 8.319 -2.559 -1.947) 8.919 4.873 ( 6.787 0.070 -4.607) 8.203 4.977 ( 7.923 -1.594 0.324) 8.089 5.047 ( -6.311 -1.244 4.704) 7.969 5.066 ( 0.477 0.741 -2.074) 2.253 5.131 ( -0.377 2.473 1.262) 2.801 5.167 ( -1.335 2.411 0.698) 2.843 5.170 ( -2.355 3.035 -0.789) 3.922 5.249 ( 0.404 -0.718 0.859) 1.190 5.321 ( -1.828 0.582 -4.516) 4.907 5.437 ( 0.805 0.587 3.672) 3.805 5.491 ( 0.176 -2.451 -5.328) 5.867 5.573 ( 1.544 2.810 -0.224) 3.214 5.634 ( 0.670 -7.441 -4.148) 8.546 5.690 ( 4.863 0.956 0.828) 5.024 5.793 ( 5.344 -2.177 0.282) 5.778 5.871 ( 2.972 -7.022 -6.238) 9.851 5.920 ( 7.074 -1.044 3.442) 7.936 6.011 ( 3.401 3.236 0.862) 4.773 6.039 ( 4.026 -3.611 -0.344) 5.419 6.192 ( 2.529 -3.388 7.868) 8.932 6.349 ( 5.733 4.000 2.577) 7.451 6.406 ( 7.792 1.784 -1.011) 8.058 6.556 ( 4.975 6.639 0.347) 8.303 6.635 ( 1.679 5.367 -0.177) 5.626 6.745 ( 3.733 3.687 3.709) 6.425 6.886 ( -1.019 6.467 0.010) 6.547 6.955 ( -3.628 0.193 -0.069) 3.634 6.994 ( 4.058 0.647 -0.202) 4.114 7.086 ( 1.389 2.841 -1.025) 3.325 7.154 ( -4.181 -1.892 1.995) 5.004 7.197 ( -2.106 1.799 -0.158) 2.774 7.316 ( 1.991 0.367 -4.192) 4.655 7.421 ( 2.094 -0.882 2.871) 3.661 7.447 ( 1.678 -1.825 6.030) 6.520 7.621 ( -0.906 0.978 1.905) 2.325 7.777 ( -0.576 -3.409 3.955) 5.253 7.909 ( 13.234 6.735 1.206) 14.898 7.942 ( 4.303 2.659 -4.716) 6.916 8.322 ( 1.023 1.115 -0.255) 1.534 8.360 ( -1.196 1.762 -0.961) 2.336 8.415 ( -2.532 -4.383 -1.272) 5.219 8.465 ( 0.617 -1.373 -3.963) 4.239 8.599 ( -8.479 1.031 5.113) 9.955 8.660 ( -1.843 0.864 0.759) 2.172 8.720 ( -1.114 -0.745 -0.254) 1.364 8.777 ( -3.608 0.930 -1.455) 4.000 8.849 ( -3.526 -0.746 -3.247) 4.851 8.941 ( 3.159 -1.714 0.895) 3.704 9.024 ( -6.398 1.402 -0.773) 6.595 9.038 ( 0.536 -3.848 3.995) 5.573 9.109 ( 2.059 -2.806 -0.425) 3.507 9.125 ( -3.822 -1.655 -2.484) 4.850 9.228 ( -2.575 6.492 1.154) 7.079 9.333 ( -3.125 2.512 0.318) 4.022 9.391 ( -0.875 2.940 2.657) 4.059 9.478 ( -0.747 4.673 0.789) 4.798 9.528 ( -2.533 1.345 2.167) 3.595 9.668 ( 3.037 4.881 -1.330) 5.901 9.735 ( 5.309 4.724 3.615) 7.973 9.871 ( -3.861 -4.908 2.429) 6.700 9.968 ( 1.447 2.736 3.052) 4.347 10.022 ( 5.047 -0.086 -3.387) 6.079 10.106 ( 2.172 -0.220 3.134) 3.820 10.172 ( -4.408 -6.838 0.542) 8.154 10.281 ( -0.780 -3.237 4.611) 5.688 10.287 ( 5.165 -4.573 -3.067) 7.550 10.634 ( 7.307 -4.717 -4.600) 9.839 10.652 ( 7.170 -4.150 -2.927) 8.786 10.900 ( 5.742 4.180 -6.675) 9.747 11.025 ( 3.531 0.623 -0.109) 3.587 11.092 ( -4.562 1.066 1.136) 4.821 11.214 ( -8.019 0.569 -0.691) 8.068 11.318 ( -7.915 1.282 -5.286) 9.604 11.421 ( -0.832 3.886 5.011) 6.395 11.531 ( -5.640 2.696 -5.369) 8.240 11.623 ( -3.268 2.018 -2.115) 4.385 11.705 ( -9.554 -5.845 -2.622) 11.503 11.779 ( -8.127 -4.815 -3.221) 9.980 11.959 ( -4.458 -3.478 -5.898) 8.170 11.979 ( 2.281 -2.075 0.967) 3.232 12.031 ( -4.537 -2.463 -3.502) 6.238 12.089 ( 1.059 1.308 3.633) 4.004 12.212 ( -8.737 -1.044 -1.789) 8.979 12.325 ( -11.248 3.966 2.227) 12.133 12.631 ( 2.751 -5.274 -10.236) 11.839 12.811 ( 0.363 3.907 3.166) 5.042 12.958 ( -5.815 -3.086 -2.498) 7.041 13.070 ( -5.862 -3.662 -6.686) 9.616 13.151 ( -3.446 -2.228 1.656) 4.426 13.319 ( 1.463 1.822 -9.003) 9.301 13.384 ( -0.045 0.500 4.305) 4.334 13.450 ( -2.867 -3.963 1.620) 5.153 13.687 ( -9.370 -0.243 1.621) 9.513 13.820 ( -21.539 -17.659 -2.439) 27.959 14.291 ( -2.019 -1.576 3.033) 3.970 14.294 ( 5.328 1.980 5.910) 8.200 14.534 ( -0.392 9.853 -3.258) 10.385 14.781 ( 1.655 -0.276 -5.854) 6.090 14.918 ( 0.699 1.279 4.676) 4.898 15.031 ( 0.109 7.852 4.996) 9.308 15.195 ( 3.526 -6.481 9.136) 11.743 15.575 ( 3.236 -5.324 -1.569) 6.425 15.680 ( 9.734 1.520 1.647) 9.989 15.810 ( 8.448 -1.734 -0.972) 8.679 15.880 ( 6.930 -0.451 -0.575) 6.968 15.898 ( 7.192 -0.361 -0.358) 7.210 20.041 ( -3.921 -1.089 -1.029) 4.197 20.060 ( -4.071 -2.249 0.543) 4.683 20.104 ( -2.845 -0.251 -0.566) 2.912 20.302 ( -11.627 -11.568 -4.421) 16.987 20.897 ( -4.260 2.458 2.215) 5.394 20.982 ( -1.196 3.890 -0.957) 4.180 21.120 ( -4.393 -1.475 5.076) 6.873 21.242 ( 1.065 9.134 0.607) 9.216 21.330 ( -2.216 -2.849 -2.938) 4.654 21.681 ( 2.369 2.724 -0.594) 3.659 21.699 ( 1.147 4.014 -3.796) 5.642 21.782 ( -1.609 -0.791 1.048) 2.077 21.887 ( -0.261 -0.085 0.360) 0.453 22.091 ( -0.675 19.731 -28.774) 34.895 22.451 ( 8.993 -2.654 -1.208) 9.454 22.721 ( 10.645 3.030 9.822) 14.798 22.795 ( -1.202 -1.405 -1.864) 2.625 22.903 ( 1.615 -3.132 -4.227) 5.504 22.994 ( 5.092 2.174 3.251) 6.420 23.114 ( 3.915 2.481 0.123) 4.637 23.270 ( 0.336 0.944 15.707) 15.739 23.559 ( 13.146 -11.196 14.317) 22.431 24.102 ( 10.545 14.620 5.861) 18.955 24.711 ( 14.526 -1.359 -1.878) 14.710 26.169 ( -2.656 0.330 0.494) 2.722 26.199 ( -2.644 -0.206 -0.391) 2.681 26.210 ( -3.647 -0.199 0.423) 3.677 26.383 ( -10.987 -9.898 -5.239) 15.689 ======================= Grid point 49 (27/54) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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| 1.048 ( 0.199 24.667 -7.142) 25.681 1.298 ( -1.236 24.552 6.519) 25.433 1.466 ( 0.221 -15.745 -13.672) 20.854 1.731 ( -2.427 -16.399 -0.619) 16.589 1.916 ( 1.466 -3.901 -1.037) 4.295 1.970 ( 0.331 -8.018 0.680) 8.054 2.247 ( 3.194 28.570 8.066) 29.858 2.320 ( 2.705 5.842 -3.486) 7.321 2.378 ( 2.681 9.310 -3.946) 10.461 2.440 ( 1.405 -1.567 -6.176) 6.525 2.464 ( -1.632 2.251 -2.917) 4.029 2.520 ( 0.372 2.667 0.413) 2.724 2.617 ( -2.536 2.813 -4.362) 5.777 2.660 ( 0.150 -6.955 5.453) 8.839 2.766 ( 1.594 0.336 4.939) 5.201 2.836 ( -1.812 3.351 1.684) 4.166 2.865 ( 2.601 3.728 1.736) 4.866 2.933 ( -0.726 -1.001 3.659) 3.863 2.941 ( -0.760 -3.642 2.540) 4.505 3.052 ( -3.237 5.654 1.552) 6.698 3.095 ( -1.321 -5.649 -3.557) 6.805 3.146 ( -2.267 -4.903 -0.433) 5.420 3.234 ( -3.231 -0.829 -0.075) 3.337 3.271 ( -0.904 2.062 1.154) 2.530 3.326 ( 2.987 -14.459 -0.823) 14.787 3.346 ( 2.201 -3.300 -0.984) 4.087 3.401 ( 3.552 3.010 0.433) 4.676 3.483 ( 0.298 -0.825 4.167) 4.259 3.590 ( -0.200 -2.555 4.255) 4.968 3.611 ( 2.000 -5.560 3.377) 6.805 3.727 ( -3.247 4.736 -0.782) 5.795 3.787 ( -2.301 3.065 -0.873) 3.931 3.825 ( -6.951 -0.169 1.657) 7.148 3.850 ( 0.307 3.643 2.220) 4.277 3.863 ( 4.598 -1.625 1.204) 5.023 3.932 ( -0.847 3.596 -0.180) 3.699 3.992 ( 0.695 -1.990 0.078) 2.110 4.017 ( 1.210 -8.576 0.558) 8.679 4.237 ( 1.487 4.667 -0.721) 4.951 4.367 ( -1.018 -8.634 4.740) 9.902 4.554 ( 4.837 3.278 -0.286) 5.850 4.603 ( 3.222 -1.201 0.463) 3.469 4.637 ( -1.221 4.018 -5.682) 7.065 4.672 ( 1.442 0.802 -3.778) 4.123 4.726 ( -0.011 1.580 0.439) 1.640 4.798 ( 0.266 -5.100 -4.259) 6.649 4.923 ( -1.175 4.782 -0.124) 4.926 4.999 ( -1.682 -2.116 -1.446) 3.066 5.026 ( -6.282 1.109 -4.580) 7.853 5.068 ( -6.172 -2.313 -3.057) 7.266 5.156 ( 2.636 2.077 -1.604) 3.720 5.182 ( 2.024 3.516 -0.332) 4.070 5.221 ( -0.339 -1.421 -2.552) 2.940 5.258 ( 1.939 -1.831 -0.931) 2.825 5.310 ( 2.555 4.204 -1.394) 5.113 5.405 ( -1.248 -4.340 3.145) 5.503 5.468 ( 0.766 -1.990 -2.762) 3.489 5.538 ( 0.383 -6.792 -9.199) 11.441 5.636 ( 1.275 1.559 0.152) 2.019 5.690 ( -1.403 -2.923 0.403) 3.268 5.791 ( 1.781 1.850 1.602) 3.027 5.831 ( 1.486 -0.915 -0.692) 1.878 5.995 ( 0.693 0.809 3.264) 3.433 6.035 ( -2.189 -2.354 4.355) 5.413 6.120 ( 0.082 2.712 3.244) 4.229 6.168 ( -2.139 -2.552 5.199) 6.174 6.447 ( -1.643 2.271 -3.121) 4.195 6.477 ( 0.787 -0.960 -4.183) 4.363 6.722 ( 0.065 5.471 1.929) 5.801 6.792 ( -1.187 5.168 -0.888) 5.377 6.813 ( -1.023 -0.300 2.182) 2.429 6.868 ( -4.278 4.943 1.066) 6.623 6.931 ( 3.820 -0.713 0.910) 3.991 7.025 ( -0.152 -3.497 1.478) 3.799 7.075 ( -3.379 -0.725 2.771) 4.430 7.121 ( 2.981 -3.212 4.437) 6.236 7.269 ( 0.316 5.089 -1.250) 5.250 7.352 ( 1.352 -2.741 -3.551) 4.685 7.451 ( 2.524 4.041 1.667) 5.048 7.500 ( 1.209 -1.364 5.348) 5.650 7.691 ( 1.047 -0.185 5.459) 5.562 7.714 ( -1.846 -3.382 5.389) 6.625 8.058 ( 1.975 6.386 -1.944) 6.962 8.147 ( 4.717 -1.833 -2.868) 5.817 8.314 ( -0.230 3.512 1.548) 3.845 8.358 ( 2.922 -1.335 1.271) 3.455 8.375 ( 1.981 -0.659 0.158) 2.094 8.426 ( -3.660 -1.810 1.379) 4.310 8.545 ( 0.155 1.880 -0.955) 2.115 8.609 ( -10.681 0.303 -1.346) 10.770 8.651 ( -0.151 0.494 -2.563) 2.615 8.717 ( -2.133 -4.749 -4.272) 6.735 8.780 ( 2.462 2.824 -1.506) 4.037 8.863 ( 0.124 -4.811 -0.625) 4.853 8.977 ( -1.379 2.242 -0.977) 2.807 9.029 ( -0.224 -2.669 -0.559) 2.736 9.089 ( -0.675 0.657 0.151) 0.954 9.106 ( -0.560 -1.281 -2.076) 2.503 9.218 ( -2.232 1.132 0.879) 2.652 9.242 ( -3.602 -1.527 0.334) 3.926 9.479 ( -0.019 4.640 1.602) 4.909 9.512 ( -2.698 1.244 -0.088) 2.973 9.556 ( -0.695 3.702 3.377) 5.059 9.652 ( 1.122 -6.906 6.750) 9.722 9.918 ( 0.690 5.657 1.009) 5.788 9.972 ( 1.874 4.564 2.513) 5.537 10.013 ( 1.545 1.655 -1.066) 2.503 10.076 ( 1.088 0.415 0.563) 1.294 10.116 ( -1.114 1.575 1.105) 2.223 10.138 ( 0.718 -3.078 -0.435) 3.190 10.226 ( -2.946 0.463 -5.209) 6.002 10.279 ( -2.273 -3.380 -1.813) 4.459 10.656 ( 2.888 -0.357 -1.831) 3.438 10.695 ( 5.210 -2.517 -2.956) 6.497 10.901 ( -6.975 0.616 -1.257) 7.114 10.941 ( -7.174 -1.726 -3.829) 8.313 10.981 ( 2.451 0.651 -2.902) 3.854 11.046 ( 0.798 -4.085 -5.303) 6.741 11.310 ( 6.155 7.027 -5.181) 10.682 11.450 ( 5.841 -7.086 -6.720) 11.379 11.500 ( 2.311 3.627 -1.926) 4.712 11.538 ( 2.205 0.638 -4.383) 4.948 11.618 ( -2.550 0.577 -6.043) 6.584 11.671 ( -0.804 -1.842 -1.396) 2.447 11.748 ( 0.000 -2.108 0.586) 2.188 11.855 ( -0.177 -8.024 -1.764) 8.218 11.960 ( -3.502 3.348 0.852) 4.919 12.023 ( -2.887 -3.212 -2.365) 4.925 12.296 ( 5.911 2.694 4.205) 7.738 12.336 ( 5.867 -1.037 2.556) 6.483 12.659 ( -1.420 6.189 -1.319) 6.486 12.786 ( -3.903 -5.424 0.453) 6.698 12.963 ( -0.733 4.559 2.000) 5.032 13.023 ( -2.698 3.348 1.656) 4.608 13.054 ( 4.855 1.038 3.363) 5.997 13.200 ( 0.539 -8.787 5.060) 10.154 13.430 ( 4.779 5.473 -3.817) 8.208 13.514 ( 7.654 -2.462 -0.044) 8.040 13.535 ( -3.704 -1.493 4.340) 5.897 13.556 ( -2.155 -3.442 4.267) 5.891 14.249 ( -4.031 2.317 1.168) 4.794 14.312 ( -3.588 -3.898 2.899) 6.039 14.657 ( 0.085 7.577 -6.659) 10.088 14.745 ( 0.300 -2.070 -6.681) 7.000 15.024 ( -0.552 5.042 7.066) 8.698 15.135 ( -0.406 -7.207 9.385) 11.840 15.246 ( -0.597 11.958 2.009) 12.141 15.453 ( -0.382 -9.973 -0.304) 9.985 15.839 ( 0.732 1.901 0.753) 2.172 15.868 ( 0.692 -1.452 0.722) 1.763 15.946 ( 0.208 0.606 -1.338) 1.483 15.960 ( 0.298 -0.672 -0.699) 1.015 19.992 ( 0.223 1.891 -0.039) 1.905 20.026 ( 1.425 -1.251 -1.019) 2.153 20.064 ( -1.175 0.963 0.083) 1.521 20.099 ( -1.229 -2.165 -1.117) 2.729 20.931 ( -1.221 4.050 2.089) 4.718 20.998 ( -0.849 -2.403 1.218) 2.825 21.104 ( -0.385 5.219 1.026) 5.333 21.214 ( 0.775 -5.818 -1.152) 5.982 21.489 ( 1.340 11.884 3.665) 12.508 21.658 ( 1.716 -6.178 1.682) 6.629 21.790 ( -1.052 2.874 1.343) 3.342 21.844 ( -1.702 2.620 -0.528) 3.169 21.847 ( 0.835 4.542 0.185) 4.622 22.047 ( -1.031 -7.625 -3.094) 8.293 22.475 ( -1.740 8.958 -15.143) 17.680 22.664 ( -1.308 -8.532 -9.251) 12.652 22.821 ( 2.245 -0.380 -0.807) 2.416 22.838 ( 1.907 -1.887 -2.057) 3.381 23.032 ( -0.836 0.921 -3.503) 3.717 23.054 ( -2.384 -1.384 -3.110) 4.156 23.565 ( 1.710 2.545 10.106) 10.561 23.642 ( 2.154 -7.103 12.412) 14.462 24.504 ( 0.671 12.199 4.759) 13.112 24.736 ( 0.544 -11.957 -1.737) 12.095 26.151 ( -0.160 0.576 0.059) 0.601 26.155 ( -0.222 0.585 -0.026) 0.626 26.162 ( -0.373 -0.605 0.103) 0.718 26.167 ( 0.378 -0.630 -0.003) 0.735 ======================= Grid point 50 (28/54) ======================= q-point: ( 0.14 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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| 1.152 ( 14.020 16.428 -1.767) 21.669 1.395 ( 7.382 -6.967 -8.185) 13.040 1.490 ( 10.593 19.299 7.745) 23.338 1.810 ( 6.988 -10.280 0.077) 12.431 1.955 ( 4.671 -7.872 -2.986) 9.628 1.988 ( 5.171 -7.481 -4.692) 10.234 2.294 ( -1.123 2.384 -7.702) 8.141 2.316 ( 0.977 3.132 -0.243) 3.290 2.409 ( 2.744 10.618 -5.878) 12.443 2.436 ( 0.918 2.555 -4.942) 5.638 2.521 ( 6.674 0.625 -3.785) 7.698 2.528 ( 0.777 3.762 -6.855) 7.858 2.647 ( 2.943 0.006 6.582) 7.210 2.726 ( 2.963 -8.122 2.356) 8.960 2.795 ( 1.719 11.015 8.211) 13.846 2.851 ( -1.520 3.197 -0.745) 3.617 2.888 ( -0.726 4.115 5.417) 6.841 2.917 ( -2.013 4.889 1.491) 5.493 2.993 ( 1.997 -3.933 0.614) 4.453 3.013 ( -2.239 -3.734 0.439) 4.376 3.061 ( 1.269 -1.514 3.938) 4.405 3.145 ( 4.810 -4.253 0.832) 6.475 3.182 ( -1.029 3.248 2.578) 4.273 3.264 ( -2.111 4.607 3.215) 6.002 3.374 ( 2.474 -1.179 -4.417) 5.198 3.399 ( 0.192 -2.134 -2.197) 3.069 3.509 ( 5.034 -0.635 2.228) 5.541 3.547 ( 6.676 -5.032 1.646) 8.520 3.578 ( -2.073 -2.144 2.093) 3.644 3.604 ( -1.379 -7.263 6.143) 9.612 3.654 ( -4.748 3.275 1.014) 5.856 3.685 ( -2.403 -0.215 5.112) 5.653 3.847 ( 4.644 5.362 -0.654) 7.124 3.876 ( 2.914 5.941 -0.548) 6.640 3.954 ( 5.203 5.552 0.643) 7.636 4.004 ( 5.284 -4.144 -2.710) 7.242 4.045 ( 4.126 -3.546 2.635) 6.045 4.090 ( 4.877 -6.691 2.914) 8.778 4.272 ( 2.604 2.908 -1.562) 4.204 4.362 ( -1.588 -5.849 1.941) 6.364 4.584 ( -1.704 4.514 -5.155) 7.060 4.601 ( -2.305 0.810 -4.477) 5.100 4.648 ( -0.882 -1.246 -2.793) 3.183 4.676 ( -3.983 -4.873 -3.501) 7.202 4.732 ( 2.241 3.506 -4.046) 5.804 4.803 ( 4.134 -1.245 -1.566) 4.593 4.880 ( -4.954 1.202 -1.274) 5.254 4.908 ( 0.568 0.942 0.655) 1.281 4.944 ( -4.437 -1.726 1.290) 4.933 4.991 ( 2.327 -4.174 -1.160) 4.917 5.141 ( 1.469 3.262 -1.727) 3.972 5.199 ( 2.988 3.194 -1.932) 4.782 5.219 ( -3.366 -0.955 -2.645) 4.386 5.251 ( 2.434 -3.647 -0.822) 4.461 5.337 ( -0.955 2.420 -1.834) 3.183 5.398 ( -1.686 -4.083 -4.375) 6.218 5.434 ( -1.336 -0.862 -1.101) 1.934 5.498 ( 1.847 -6.147 -4.900) 8.075 5.603 ( -3.780 2.123 0.240) 4.342 5.646 ( -3.313 -1.711 -0.095) 3.729 5.789 ( -2.935 2.872 0.085) 4.107 5.810 ( -2.829 -0.498 0.580) 2.931 5.966 ( -5.015 2.672 1.750) 5.946 6.007 ( -3.156 -1.940 3.180) 4.882 6.105 ( -5.596 -0.931 5.120) 7.642 6.115 ( -7.192 -1.792 5.139) 9.020 6.349 ( -6.730 2.416 -1.281) 7.264 6.393 ( -6.821 -2.148 -2.829) 7.691 6.725 ( -2.831 5.062 -0.297) 5.807 6.744 ( 0.202 5.760 0.797) 5.818 6.789 ( -3.312 1.797 1.683) 4.127 6.835 ( -0.397 -3.985 1.148) 4.166 6.982 ( 0.803 0.932 0.158) 1.240 7.032 ( 0.347 -3.436 1.372) 3.716 7.098 ( 3.399 6.045 2.841) 7.495 7.204 ( 0.469 -3.013 3.142) 4.378 7.265 ( -0.859 2.986 1.425) 3.418 7.340 ( -1.726 -2.170 0.391) 2.800 7.441 ( -5.967 6.420 0.801) 8.802 7.522 ( 0.339 -1.615 -1.825) 2.461 7.675 ( -5.485 -2.172 3.878) 7.060 7.713 ( -4.378 -4.904 2.841) 7.161 7.922 ( -8.150 12.100 -0.628) 14.602 8.073 ( -7.828 -3.309 -1.025) 8.560 8.382 ( 3.750 0.812 3.819) 5.413 8.391 ( 2.814 3.067 -0.019) 4.162 8.397 ( -0.203 2.487 -0.994) 2.686 8.444 ( 3.930 -3.143 -0.958) 5.123 8.543 ( 2.444 1.377 -3.465) 4.458 8.597 ( 0.556 -2.135 0.101) 2.208 8.697 ( 7.078 1.018 -0.747) 7.189 8.749 ( 12.031 -3.911 2.378) 12.872 8.859 ( 3.606 2.834 0.379) 4.602 8.893 ( 0.949 -0.004 1.119) 1.467 8.952 ( -0.975 -1.169 -1.742) 2.313 9.002 ( -1.367 -2.186 -3.306) 4.192 9.045 ( -1.620 -1.103 0.218) 1.972 9.052 ( -1.452 -2.543 3.262) 4.383 9.259 ( 4.608 2.084 1.108) 5.177 9.283 ( 5.134 -0.163 -1.412) 5.327 9.420 ( -4.810 3.615 0.056) 6.017 9.460 ( -2.509 0.374 0.045) 2.537 9.612 ( 2.319 7.349 3.718) 8.557 9.755 ( 1.101 -7.612 3.128) 8.303 9.867 ( -4.287 4.193 4.386) 7.430 9.937 ( -5.626 5.149 -3.982) 8.603 9.973 ( -3.053 -0.698 3.709) 4.855 10.006 ( -7.182 1.114 -0.451) 7.282 10.070 ( -2.575 0.355 0.746) 2.704 10.117 ( -3.219 -3.389 -0.750) 4.734 10.207 ( 4.529 -1.519 -1.337) 4.961 10.229 ( -0.349 -2.952 -1.370) 3.273 10.591 ( -5.467 -2.686 -3.094) 6.832 10.608 ( -8.364 -4.908 -2.839) 10.105 10.788 ( -1.069 4.402 -5.753) 7.323 10.892 ( -1.708 -5.768 -3.461) 6.940 11.147 ( 7.684 3.599 -2.091) 8.739 11.191 ( 15.753 -0.811 1.797) 15.876 11.351 ( 2.456 9.295 -5.694) 11.174 11.473 ( -0.681 -0.117 -8.541) 8.569 11.543 ( 4.675 -1.000 -4.531) 6.587 11.671 ( 6.648 -2.565 -0.007) 7.126 11.698 ( 11.832 -6.805 -5.468) 14.704 11.715 ( 11.926 -3.764 0.338) 12.511 11.774 ( 2.313 4.409 2.430) 5.540 11.895 ( 1.678 -6.673 -0.960) 6.948 11.954 ( 7.176 1.279 2.470) 7.696 11.999 ( 3.299 -3.034 -0.539) 4.515 12.381 ( 2.427 1.155 -3.207) 4.184 12.428 ( 4.044 -4.268 -4.638) 7.488 12.663 ( 2.042 7.022 3.507) 8.110 12.780 ( 2.057 -4.270 3.448) 5.861 12.976 ( -0.016 5.038 -2.060) 5.443 13.013 ( 2.938 1.999 3.193) 4.777 13.181 ( 6.246 2.697 -0.922) 6.865 13.256 ( 1.914 -5.646 -0.592) 5.991 13.470 ( 1.220 4.626 -0.154) 4.787 13.550 ( 2.853 -1.208 6.604) 7.294 13.655 ( 8.326 -3.655 -0.531) 9.109 13.715 ( 13.042 -5.872 -1.725) 14.407 14.196 ( -2.797 2.283 5.671) 6.723 14.263 ( -3.004 -4.314 5.083) 7.312 14.613 ( -0.792 6.541 -5.530) 8.602 14.693 ( -1.466 -2.095 -6.112) 6.625 15.026 ( -3.694 7.591 4.866) 9.744 15.156 ( -3.417 -6.749 7.746) 10.827 15.227 ( -2.722 10.128 1.194) 10.555 15.411 ( -4.015 -9.331 -0.391) 10.166 15.774 ( -8.359 2.135 1.974) 8.850 15.809 ( -7.440 -1.625 1.079) 7.691 15.867 ( -6.864 0.576 -1.914) 7.149 15.883 ( -7.460 -0.910 -1.224) 7.615 20.024 ( 3.217 1.583 -0.223) 3.593 20.061 ( 2.564 -2.300 -0.367) 3.464 20.091 ( 4.142 1.583 -0.710) 4.491 20.127 ( 4.427 -2.142 -1.306) 5.089 20.943 ( 1.100 4.036 1.813) 4.559 21.010 ( 1.323 -2.701 1.196) 3.237 21.133 ( 2.759 6.365 1.083) 7.021 21.254 ( 3.854 -5.998 -0.582) 7.153 21.541 ( 1.061 12.504 5.216) 13.589 21.698 ( 0.202 -0.990 -1.164) 1.542 21.763 ( -0.468 -0.093 0.713) 0.858 21.809 ( -1.702 -0.609 -0.952) 2.043 21.844 ( -1.535 6.733 1.250) 7.018 21.976 ( -3.059 2.027 -3.921) 5.370 22.355 ( -4.098 0.085 -5.909) 7.192 22.548 ( -4.587 -13.358 -11.145) 17.991 22.848 ( 1.293 0.844 0.088) 1.547 22.866 ( 0.913 -0.926 -0.630) 1.445 23.015 ( 2.325 0.987 -3.326) 4.177 23.036 ( 3.253 -1.148 -4.155) 5.401 23.543 ( -9.421 3.641 10.621) 14.657 23.626 ( -9.206 -6.047 10.311) 15.088 24.431 ( -11.510 8.927 4.284) 15.183 24.592 ( -13.194 -7.654 -2.288) 15.424 26.174 ( 2.255 0.503 0.287) 2.329 26.185 ( 2.624 -0.675 0.225) 2.718 26.218 ( 5.020 0.552 -0.389) 5.066 26.242 ( 7.387 -2.246 -1.356) 7.839 ======================= Grid point 51 (29/54) ======================= q-point: ( 0.29 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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| 1.471 ( 18.974 9.480 1.515) 21.265 1.556 ( 13.926 1.930 -1.563) 14.146 1.790 ( 11.887 10.082 10.216) 18.637 1.895 ( 5.318 0.247 -2.107) 5.725 1.998 ( 4.208 -7.509 -3.806) 9.411 2.154 ( 7.650 -15.019 3.351) 17.185 2.252 ( 5.953 4.715 -11.717) 13.963 2.317 ( -1.120 -1.320 -0.247) 1.749 2.373 ( -0.661 1.610 -5.603) 5.867 2.431 ( 1.248 -4.265 -4.264) 6.159 2.534 ( 0.869 2.791 -3.648) 4.675 2.561 ( 1.931 3.361 -6.552) 7.613 2.638 ( -5.069 -0.964 -1.592) 5.400 2.681 ( -3.409 -4.267 -5.055) 7.442 2.769 ( -2.489 1.537 0.887) 3.057 2.816 ( -4.162 -2.915 2.013) 5.465 2.919 ( -0.602 4.950 4.982) 7.049 2.944 ( 0.244 0.268 0.801) 0.880 3.003 ( 4.406 0.266 1.665) 4.717 3.067 ( 4.513 -5.365 4.829) 8.513 3.151 ( -5.424 4.040 2.224) 7.119 3.210 ( -1.661 -0.848 2.634) 3.227 3.240 ( 3.698 -1.049 3.532) 5.220 3.265 ( 0.527 -0.516 1.188) 1.399 3.363 ( 1.780 4.628 -2.486) 5.547 3.432 ( 3.734 -0.388 3.196) 4.930 3.524 ( 1.019 3.465 2.499) 4.392 3.545 ( 0.116 2.128 -0.443) 2.177 3.602 ( 1.488 4.632 -2.881) 5.654 3.654 ( 1.813 -0.126 -0.404) 1.862 3.760 ( 13.859 4.166 6.947) 16.053 3.874 ( 9.191 1.713 4.631) 10.434 3.939 ( 5.513 -2.206 5.285) 7.949 3.965 ( 4.770 10.005 2.004) 11.264 4.015 ( 6.076 1.396 -4.653) 7.779 4.083 ( 0.430 0.176 1.531) 1.600 4.132 ( 5.753 -0.442 1.680) 6.010 4.233 ( 7.241 -6.962 3.744) 10.720 4.283 ( 2.324 -0.766 -2.919) 3.808 4.351 ( 1.243 -4.663 1.047) 4.938 4.489 ( -6.203 -0.097 -2.445) 6.668 4.530 ( -1.440 -0.839 0.023) 1.666 4.579 ( -4.024 -0.776 -6.557) 7.732 4.603 ( -4.234 -2.076 -2.343) 5.266 4.689 ( -4.081 2.761 -0.597) 4.963 4.756 ( -3.045 1.043 -2.807) 4.271 4.812 ( -1.014 -3.369 -5.052) 6.156 4.829 ( -1.459 -5.399 3.950) 6.847 4.983 ( -2.910 1.502 -1.612) 3.650 5.019 ( -2.492 -2.205 0.581) 3.377 5.176 ( 1.698 4.039 -7.526) 8.708 5.191 ( 0.260 2.094 -4.983) 5.412 5.249 ( 0.289 0.808 -3.464) 3.569 5.262 ( 3.138 0.142 -3.666) 4.827 5.304 ( 2.907 -3.071 -0.163) 4.232 5.332 ( 2.362 -3.377 -3.827) 5.624 5.435 ( -0.531 2.318 1.888) 3.036 5.499 ( -0.878 -2.135 -0.376) 2.339 5.561 ( -0.858 1.907 0.361) 2.122 5.610 ( 0.961 -1.537 1.157) 2.150 5.715 ( -4.512 2.246 -2.306) 5.543 5.749 ( -2.244 0.003 -1.526) 2.714 5.870 ( -7.602 1.868 0.859) 7.875 5.949 ( -3.208 -4.401 2.931) 6.185 5.997 ( -7.374 0.429 4.670) 8.739 6.031 ( -5.676 -1.922 6.290) 8.688 6.214 ( -7.318 1.424 1.002) 7.523 6.233 ( -8.933 -0.746 0.240) 8.967 6.665 ( -3.467 3.696 -0.803) 5.130 6.719 ( -4.832 -0.931 2.524) 5.531 6.748 ( -2.143 7.228 1.389) 7.666 6.838 ( -1.207 -1.514 1.008) 2.183 7.002 ( 1.058 3.721 1.039) 4.006 7.066 ( 1.038 -2.965 2.584) 4.068 7.143 ( 0.537 3.891 -1.211) 4.110 7.185 ( -1.836 0.500 -1.134) 2.215 7.235 ( -3.015 -1.794 0.511) 3.545 7.268 ( -5.647 -4.260 -2.350) 7.454 7.308 ( -6.280 9.779 2.509) 11.889 7.462 ( -6.639 -6.534 1.923) 9.512 7.601 ( -1.638 -0.218 -1.087) 1.977 7.628 ( -1.943 -2.392 -1.932) 3.637 7.887 ( -0.147 4.778 2.381) 5.340 7.963 ( -3.567 -2.780 -0.480) 4.547 8.352 ( -1.940 5.128 -1.016) 5.577 8.443 ( 0.720 -4.081 -1.358) 4.361 8.457 ( 2.494 3.481 0.692) 4.338 8.521 ( 4.173 -2.991 1.214) 5.276 8.581 ( 2.824 0.748 0.910) 3.060 8.601 ( 0.331 -1.078 0.709) 1.332 8.860 ( 2.649 2.729 -4.042) 5.550 8.862 ( 1.175 2.113 -1.835) 3.035 8.903 ( 0.545 -0.840 0.445) 1.096 8.920 ( 1.788 2.701 2.816) 4.292 8.966 ( 3.484 -2.791 1.215) 4.626 9.034 ( 5.121 -0.284 3.166) 6.027 9.060 ( 0.460 -3.016 0.399) 3.077 9.092 ( 5.230 -3.004 5.428) 8.114 9.288 ( -1.136 7.868 -5.084) 9.436 9.344 ( 2.633 3.709 0.936) 4.644 9.422 ( 2.121 0.019 5.330) 5.736 9.439 ( -0.069 -0.511 2.012) 2.077 9.623 ( -3.205 2.652 0.661) 4.212 9.708 ( -0.522 0.208 -0.591) 0.815 9.803 ( -3.962 1.139 3.491) 5.402 9.856 ( -6.265 -2.927 1.888) 7.168 9.958 ( 0.678 2.714 4.592) 5.377 9.995 ( -0.321 0.633 5.071) 5.120 10.021 ( -2.265 -1.023 -0.387) 2.515 10.037 ( -2.022 -3.247 -2.702) 4.683 10.227 ( 1.904 1.198 -3.494) 4.156 10.304 ( 4.620 -7.693 -3.536) 9.645 10.461 ( -5.170 -2.316 -1.907) 5.977 10.489 ( -3.958 -3.984 -0.264) 5.622 10.730 ( -0.944 4.834 -5.038) 7.045 10.834 ( -1.965 -5.942 -2.551) 6.758 11.216 ( 2.415 7.285 -0.777) 7.714 11.317 ( -0.661 5.515 -4.464) 7.126 11.387 ( 0.843 2.541 0.055) 2.678 11.490 ( 6.173 1.498 -2.322) 6.763 11.594 ( 5.129 -4.825 -5.239) 8.777 11.689 ( 0.869 -12.188 -2.972) 12.575 11.778 ( 0.799 2.037 0.680) 2.292 11.831 ( 2.859 -2.591 0.429) 3.882 11.980 ( 11.678 2.952 -0.803) 12.072 12.080 ( 12.852 -0.989 2.398) 13.111 12.114 ( 10.634 -1.750 -2.764) 11.126 12.176 ( 10.143 -3.667 3.907) 11.471 12.386 ( 3.052 2.993 -4.617) 6.292 12.474 ( 5.344 -6.056 -3.742) 8.901 12.758 ( 5.303 4.976 3.453) 8.050 12.848 ( 3.707 -3.775 -1.453) 5.487 13.017 ( 6.379 7.236 -3.572) 10.287 13.137 ( 8.762 0.946 2.394) 9.132 13.201 ( -4.362 -3.305 -8.120) 9.792 13.255 ( 4.091 -1.502 -4.400) 6.193 13.498 ( 0.996 3.744 1.863) 4.299 13.621 ( -1.010 -8.766 5.072) 10.177 13.814 ( 8.986 3.326 -0.100) 9.582 13.892 ( 5.583 -4.366 2.309) 7.454 14.261 ( 3.852 2.485 9.090) 10.180 14.323 ( 6.112 -3.485 4.827) 8.532 14.555 ( -1.691 5.761 -5.139) 7.903 14.618 ( -2.513 -0.912 -5.285) 5.923 14.955 ( -6.308 9.417 2.316) 11.569 15.108 ( -5.896 -6.774 2.958) 9.455 15.172 ( -4.041 6.980 2.418) 8.420 15.303 ( -7.547 -6.834 0.289) 10.186 15.594 ( -11.841 1.264 2.795) 12.232 15.638 ( -11.305 -2.888 1.327) 11.743 15.716 ( -7.250 0.130 -2.476) 7.662 15.725 ( -6.964 -0.661 -2.479) 7.421 20.098 ( 4.542 0.503 0.152) 4.572 20.121 ( 3.961 -1.742 -0.259) 4.335 20.168 ( 4.281 0.934 -0.804) 4.455 20.207 ( 4.480 -3.106 -1.227) 5.587 20.992 ( 2.846 4.126 1.774) 5.317 21.056 ( 2.531 -2.531 1.524) 3.890 21.214 ( 4.900 6.865 1.627) 8.590 21.325 ( 3.362 -4.165 0.111) 5.354 21.554 ( -3.361 11.039 -1.368) 11.620 21.658 ( 0.512 9.139 0.197) 9.155 21.731 ( -3.811 -0.447 -3.365) 5.103 21.821 ( 0.049 4.519 2.458) 5.145 21.863 ( 3.995 -2.161 4.358) 6.295 21.933 ( 1.450 1.169 -0.367) 1.898 22.234 ( -7.465 -7.444 0.045) 10.542 22.359 ( -8.577 -14.458 -8.527) 18.849 22.849 ( -0.132 0.688 -4.049) 4.109 22.863 ( 0.704 -0.872 -2.650) 2.877 23.069 ( 3.796 2.581 -2.051) 5.028 23.097 ( 4.442 -0.416 -2.913) 5.328 23.439 ( -7.801 5.413 10.877) 14.439 23.541 ( -4.746 -5.991 8.779) 11.640 24.183 ( -16.648 6.252 1.958) 17.890 24.282 ( -17.509 -4.301 -4.247) 18.523 26.225 ( 2.631 0.957 0.581) 2.859 26.246 ( 3.111 -1.376 0.998) 3.545 26.309 ( 4.888 1.337 -0.774) 5.126 26.350 ( 5.312 -3.137 -2.101) 6.517 ======================= Grid point 52 (30/54) ======================= q-point: ( 0.43 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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| 1.748 ( 7.743 7.578 3.718) 11.455 1.843 ( 13.411 3.731 2.549) 14.151 1.881 ( 0.687 1.304 -2.172) 2.625 2.024 ( 4.557 -6.550 -3.572) 8.742 2.168 ( 11.153 4.297 4.379) 12.729 2.198 ( -2.801 2.798 -0.521) 3.994 2.272 ( 2.631 0.841 0.655) 2.839 2.306 ( 1.226 -6.840 4.333) 8.190 2.346 ( -9.655 -3.658 -0.318) 10.330 2.366 ( -9.631 -4.185 1.607) 10.623 2.478 ( 7.735 -2.196 -6.282) 10.204 2.544 ( 4.948 -5.495 -3.986) 8.400 2.606 ( 7.238 3.528 -5.862) 9.960 2.714 ( 4.547 -6.883 -4.554) 9.423 2.750 ( -0.620 1.905 0.751) 2.139 2.771 ( -1.710 -1.232 -0.027) 2.107 2.923 ( -1.696 3.527 4.368) 5.865 2.954 ( -2.037 0.159 3.553) 4.098 2.993 ( -5.619 1.128 2.267) 6.163 3.053 ( -8.390 -2.805 1.149) 8.921 3.159 ( 5.395 0.716 -1.130) 5.558 3.201 ( 4.455 -3.953 2.305) 6.386 3.244 ( -1.066 3.939 -0.071) 4.081 3.288 ( -2.085 -0.121 0.083) 2.090 3.386 ( -1.921 3.100 0.084) 3.648 3.445 ( -3.120 -2.275 0.605) 3.908 3.578 ( 5.249 3.948 -0.993) 6.642 3.630 ( 2.181 4.788 -0.387) 5.275 3.637 ( 7.226 -2.165 0.534) 7.562 3.703 ( 2.777 -2.082 -1.690) 3.860 3.926 ( 0.144 10.859 -0.895) 10.896 3.965 ( 2.600 7.467 3.183) 8.523 4.038 ( 1.242 0.499 2.695) 3.009 4.072 ( 0.267 1.947 1.528) 2.490 4.125 ( 4.044 3.026 1.833) 5.373 4.159 ( 1.382 -1.014 4.866) 5.159 4.203 ( 1.430 3.002 1.780) 3.772 4.288 ( -3.938 -3.760 1.882) 5.761 4.319 ( 4.706 0.929 -0.990) 4.898 4.363 ( -4.973 -1.036 0.153) 5.082 4.429 ( -6.685 1.339 -4.487) 8.162 4.461 ( 3.614 3.323 -4.223) 6.476 4.527 ( 2.657 -4.277 -2.111) 5.459 4.602 ( -2.715 -4.665 -4.115) 6.787 4.643 ( 7.996 -2.531 3.179) 8.969 4.683 ( -3.306 -3.677 -1.774) 5.253 4.753 ( 1.365 3.634 0.609) 3.929 4.860 ( -0.149 -6.619 3.209) 7.357 4.904 ( 0.317 4.141 -4.506) 6.129 4.975 ( 0.109 -2.248 -2.784) 3.580 5.062 ( -3.148 6.779 -3.087) 8.087 5.149 ( -2.458 0.198 -1.249) 2.764 5.281 ( -2.479 1.860 -1.675) 3.523 5.298 ( 3.591 -1.912 -1.650) 4.390 5.336 ( 5.864 -0.238 -3.496) 6.832 5.387 ( -1.973 -3.040 -0.180) 3.629 5.401 ( -0.869 1.182 -0.269) 1.491 5.480 ( 1.418 -2.808 -3.283) 4.547 5.586 ( 2.189 0.868 -0.542) 2.417 5.621 ( -1.016 -2.497 -1.745) 3.211 5.678 ( 2.657 -0.724 1.840) 3.312 5.716 ( 1.160 -3.518 -1.565) 4.022 5.816 ( -0.003 4.523 4.321) 6.255 5.878 ( -5.173 -1.583 5.654) 7.825 5.970 ( -1.568 0.860 1.464) 2.311 5.983 ( -3.226 -0.162 3.045) 4.439 6.098 ( -5.975 1.371 1.500) 6.311 6.116 ( -4.395 -0.497 2.226) 4.952 6.592 ( -2.931 5.188 -1.488) 6.142 6.654 ( -2.909 4.589 -0.387) 5.447 6.688 ( -4.079 3.436 1.949) 5.678 6.804 ( -2.332 -2.711 0.819) 3.668 7.023 ( 0.356 2.495 0.216) 2.529 7.055 ( -1.959 -1.184 -2.463) 3.362 7.099 ( -1.766 2.923 -2.838) 4.440 7.161 ( -1.351 -2.829 -2.781) 4.191 7.204 ( 1.391 -2.090 1.954) 3.182 7.223 ( 0.669 -0.122 1.829) 1.952 7.264 ( -0.960 3.261 2.317) 4.114 7.371 ( -4.390 -6.556 2.309) 8.221 7.587 ( 0.110 0.390 1.261) 1.324 7.619 ( 0.874 -2.070 -0.428) 2.287 7.896 ( -0.268 2.170 1.573) 2.694 7.918 ( -1.234 -0.576 -0.720) 1.540 8.342 ( 1.021 6.159 0.620) 6.273 8.444 ( 1.026 -3.295 -2.836) 4.467 8.465 ( -1.654 3.509 0.380) 3.898 8.546 ( -1.869 -5.271 0.143) 5.594 8.607 ( -0.113 0.718 0.214) 0.757 8.640 ( 2.309 -2.422 1.471) 3.656 8.828 ( 0.617 3.579 -4.875) 6.079 8.872 ( 0.097 -0.573 -5.663) 5.693 8.882 ( 0.133 2.106 -2.342) 3.153 8.953 ( 0.420 -3.021 -0.032) 3.051 9.008 ( 0.065 -1.103 1.743) 2.064 9.061 ( -0.134 -4.213 3.396) 5.412 9.141 ( 1.075 3.955 3.832) 5.611 9.191 ( -0.110 1.116 2.443) 2.688 9.282 ( 2.090 6.765 1.614) 7.262 9.367 ( 0.420 6.615 2.282) 7.010 9.471 ( 0.988 -6.061 3.487) 7.062 9.493 ( 1.529 -1.440 6.827) 7.143 9.590 ( -1.574 3.472 3.652) 5.279 9.737 ( 1.962 -3.971 0.683) 4.482 9.759 ( -4.377 -1.283 -0.038) 4.561 9.796 ( -0.512 -0.764 0.870) 1.267 9.947 ( -3.698 4.484 2.796) 6.450 9.969 ( 0.321 1.055 0.257) 1.132 10.005 ( 0.031 4.045 0.467) 4.072 10.109 ( 4.602 -5.276 4.319) 8.226 10.239 ( 2.078 1.926 -3.566) 4.555 10.295 ( -0.435 -5.586 -4.120) 6.955 10.383 ( -2.937 -0.071 -1.415) 3.261 10.432 ( -4.129 -5.485 -0.666) 6.898 10.719 ( 2.694 3.295 -3.201) 5.325 10.795 ( -0.728 -4.840 -1.597) 5.148 11.268 ( 3.034 4.235 1.683) 5.475 11.303 ( 3.426 8.580 -5.154) 10.579 11.395 ( 1.420 -0.773 1.544) 2.236 11.468 ( -3.423 -2.961 -5.518) 7.137 11.655 ( 1.619 -3.895 -1.976) 4.658 11.712 ( 2.965 -10.515 -1.397) 11.014 11.797 ( 1.057 2.918 0.909) 3.234 11.899 ( 3.043 -6.447 2.187) 7.457 12.100 ( 2.163 9.696 1.397) 10.032 12.197 ( 1.154 5.261 0.268) 5.392 12.278 ( 2.218 -4.491 0.243) 5.015 12.286 ( 3.142 -5.893 -0.886) 6.737 12.472 ( 8.468 6.695 -4.167) 11.571 12.572 ( 6.513 -2.738 -2.679) 7.556 12.847 ( -1.610 0.850 -5.432) 5.729 12.876 ( 0.124 -3.050 -4.416) 5.368 13.030 ( -3.344 -0.737 -6.458) 7.310 13.091 ( 5.313 -6.043 -5.289) 9.629 13.324 ( 7.206 3.157 -4.561) 9.093 13.357 ( 9.135 -0.240 5.151) 10.490 13.528 ( -0.430 1.024 6.452) 6.546 13.590 ( -4.479 -5.895 3.229) 8.077 13.948 ( 3.482 2.075 6.348) 7.532 13.988 ( 1.973 -1.891 8.348) 8.784 14.359 ( -1.257 4.885 0.588) 5.078 14.410 ( -3.054 0.943 -0.941) 3.332 14.524 ( 4.744 3.689 -5.160) 7.921 14.566 ( 1.771 0.984 -3.793) 4.300 14.872 ( -2.578 7.233 2.246) 8.000 15.012 ( -4.807 -7.528 2.393) 9.247 15.133 ( -0.924 2.462 2.546) 3.660 15.176 ( -5.739 -1.597 1.229) 6.082 15.433 ( -6.263 -1.090 1.604) 6.556 15.459 ( -8.254 -3.888 1.058) 9.185 15.607 ( -2.052 0.854 -2.868) 3.628 15.628 ( -1.624 -1.432 -2.836) 3.568 20.166 ( 1.879 0.408 0.655) 2.032 20.184 ( 2.366 -1.438 0.272) 2.782 20.222 ( 1.852 0.166 -0.600) 1.954 20.261 ( 2.583 -4.297 -1.030) 5.118 21.059 ( 2.514 3.705 2.444) 5.101 21.109 ( 1.311 -1.791 2.861) 3.621 21.294 ( 0.955 4.903 -0.128) 4.997 21.350 ( -0.612 0.098 -0.512) 0.804 21.483 ( 0.198 10.637 -1.480) 10.741 21.664 ( -1.007 0.970 -2.234) 2.636 21.686 ( 1.121 8.679 0.503) 8.765 21.821 ( -1.418 6.616 2.361) 7.166 21.952 ( 5.300 1.499 1.930) 5.836 22.049 ( -3.921 -12.929 -2.615) 13.761 22.101 ( 0.169 -4.715 3.440) 5.839 22.192 ( -1.111 -12.239 3.789) 12.861 22.819 ( 0.683 1.257 -5.921) 6.091 22.850 ( 0.949 -2.229 -5.407) 5.925 23.050 ( -3.529 3.883 -4.270) 6.765 23.101 ( -2.084 -1.582 -4.038) 4.812 23.451 ( 0.782 8.776 8.667) 12.360 23.589 ( -0.175 -6.341 9.689) 11.581 23.923 ( -9.351 2.822 -1.915) 9.954 23.968 ( -9.714 -2.222 -5.394) 11.331 26.264 ( 0.976 1.290 0.800) 1.805 26.293 ( 0.918 -1.777 1.166) 2.315 26.370 ( 2.099 1.341 -1.012) 2.689 26.408 ( 2.510 -2.744 -1.457) 3.994 ======================= Grid point 53 (31/54) ======================= q-point: (-0.43 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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| 1.774 ( -8.347 2.487 -2.835) 9.160 1.807 ( -4.807 0.259 1.565) 5.062 1.882 ( -14.866 7.379 4.011) 17.075 1.986 ( -1.574 -0.604 -0.224) 1.701 2.092 ( -9.514 4.455 1.598) 10.627 2.210 ( -4.486 -4.290 0.318) 6.215 2.282 ( 5.883 -5.516 0.907) 8.115 2.327 ( 1.994 -6.356 0.618) 6.690 2.404 ( 7.529 1.143 0.300) 7.621 2.454 ( 7.564 -4.128 2.545) 8.985 2.609 ( 7.954 -0.453 -2.983) 8.507 2.632 ( 5.804 -2.192 -3.675) 7.211 2.707 ( 3.846 0.682 -2.383) 4.576 2.735 ( -0.495 -1.322 0.020) 1.412 2.741 ( 0.078 2.331 -0.500) 2.386 2.789 ( 3.372 -2.318 -0.100) 4.093 2.860 ( -4.603 1.627 5.538) 7.383 2.891 ( -2.836 0.806 3.924) 4.908 2.966 ( -1.793 -0.622 -1.959) 2.728 3.008 ( 0.710 -1.854 -0.454) 2.036 3.175 ( -2.553 1.767 -1.229) 3.339 3.225 ( -2.042 1.113 2.838) 3.669 3.256 ( 0.855 -1.529 2.472) 3.029 3.293 ( -2.778 -3.408 2.820) 5.223 3.339 ( 0.150 0.703 -3.636) 3.707 3.361 ( 0.085 -0.765 -1.632) 1.804 3.605 ( -3.411 7.332 0.305) 8.093 3.643 ( -4.586 4.341 -3.098) 7.034 3.673 ( -3.259 1.697 0.623) 3.727 3.715 ( -5.821 0.011 4.178) 7.166 3.902 ( -9.896 8.843 -1.486) 13.354 3.916 ( -5.355 6.993 -3.590) 9.511 3.988 ( 0.223 3.165 -3.631) 4.822 4.059 ( 2.647 1.248 2.554) 3.884 4.085 ( -5.836 -5.128 -0.639) 7.795 4.172 ( 0.756 6.160 2.687) 6.762 4.197 ( -1.553 -4.466 0.838) 4.802 4.231 ( -5.167 2.934 0.858) 6.003 4.280 ( -2.275 -2.639 -1.091) 3.651 4.326 ( -8.023 -4.843 4.122) 10.238 4.402 ( -1.049 1.640 -1.759) 2.624 4.441 ( -0.996 -3.730 2.439) 4.567 4.500 ( 4.060 -0.356 -1.350) 4.293 4.550 ( 6.773 -2.013 -3.180) 7.749 4.697 ( 3.974 2.499 -0.041) 4.695 4.782 ( 0.470 -4.400 -0.347) 4.439 4.854 ( 1.707 2.408 1.888) 3.504 4.901 ( 1.890 -1.288 -2.121) 3.119 4.953 ( 2.797 0.028 -2.302) 3.622 4.998 ( 3.439 -3.110 -3.712) 5.940 5.082 ( 4.325 6.218 3.599) 8.386 5.130 ( 9.383 2.595 -0.538) 9.750 5.260 ( 2.752 0.109 -3.226) 4.241 5.296 ( -2.714 -4.544 1.876) 5.615 5.371 ( 2.927 1.404 -3.732) 4.946 5.397 ( 2.724 -1.329 -4.128) 5.121 5.422 ( 1.860 1.780 -0.562) 2.635 5.510 ( 4.329 -5.202 -2.275) 7.140 5.582 ( -0.929 -0.960 -2.691) 3.004 5.628 ( 0.293 -4.269 -1.506) 4.536 5.715 ( -2.840 3.243 2.932) 5.213 5.771 ( -1.370 -2.327 0.707) 2.792 5.824 ( 0.751 2.674 3.293) 4.308 5.853 ( -0.109 -0.251 3.093) 3.105 5.928 ( -3.119 1.350 1.815) 3.853 5.959 ( -1.076 -0.937 3.508) 3.787 6.073 ( 4.191 2.303 2.021) 5.191 6.112 ( 3.843 -1.915 2.162) 4.807 6.576 ( 2.679 8.408 -2.486) 9.168 6.619 ( 1.329 11.520 -1.194) 11.657 6.689 ( 1.908 -2.944 1.022) 3.654 6.793 ( 1.550 -5.939 0.024) 6.138 7.009 ( -0.937 0.160 -1.199) 1.530 7.023 ( 0.216 -0.155 -0.962) 0.998 7.083 ( 0.526 3.061 -0.222) 3.114 7.136 ( -0.308 -2.659 1.138) 2.909 7.249 ( 0.602 -0.055 2.513) 2.584 7.257 ( 1.502 -0.567 0.770) 1.781 7.286 ( 2.019 1.125 0.427) 2.350 7.336 ( -0.549 -3.736 0.328) 3.790 7.617 ( 0.652 0.008 3.322) 3.386 7.638 ( 1.560 -1.380 0.123) 2.086 7.897 ( -0.444 1.501 0.340) 1.601 7.910 ( 1.038 0.213 -0.895) 1.386 8.367 ( -0.373 5.228 -1.138) 5.364 8.405 ( -2.897 0.196 -1.909) 3.475 8.448 ( 1.313 2.101 -0.368) 2.505 8.520 ( -0.590 -5.635 1.411) 5.839 8.600 ( -0.420 0.984 -1.172) 1.587 8.666 ( 0.306 -4.709 -0.863) 4.797 8.800 ( -0.736 3.837 -3.335) 5.137 8.847 ( 1.941 -0.882 -3.580) 4.166 8.888 ( -0.409 -0.207 -0.887) 0.998 8.937 ( -0.998 -4.285 -1.980) 4.825 9.015 ( 0.032 0.929 2.611) 2.771 9.066 ( -1.874 -3.327 0.232) 3.825 9.132 ( -1.772 1.295 2.641) 3.434 9.172 ( -3.633 -1.105 2.646) 4.628 9.324 ( 1.635 11.937 3.779) 12.627 9.416 ( 0.954 5.573 5.249) 7.715 9.493 ( -3.897 0.839 3.916) 5.588 9.529 ( -2.642 -6.211 6.587) 9.431 9.617 ( 3.081 -1.292 2.579) 4.221 9.688 ( -2.062 -2.750 -0.250) 3.446 9.769 ( 0.718 0.303 2.000) 2.146 9.798 ( -0.838 -0.220 1.989) 2.169 9.909 ( -1.275 4.541 1.878) 5.077 9.992 ( 0.579 -3.218 0.641) 3.331 10.025 ( 1.941 6.749 1.855) 7.263 10.167 ( -3.621 -1.016 2.048) 4.283 10.216 ( -0.402 -5.462 -5.848) 8.013 10.309 ( -6.232 -0.729 -3.133) 7.013 10.327 ( 4.811 -4.719 -1.906) 7.003 10.365 ( 3.931 -1.436 -1.443) 4.427 10.771 ( 4.619 2.566 -1.333) 5.450 10.820 ( 4.861 -2.084 -0.238) 5.294 11.307 ( -0.468 3.389 -0.167) 3.426 11.328 ( -0.237 0.287 -6.653) 6.663 11.415 ( 4.164 6.132 -1.888) 7.649 11.472 ( 3.588 -2.877 5.532) 7.194 11.647 ( 0.334 -1.774 -2.355) 2.967 11.726 ( -0.204 -7.658 -2.042) 7.928 11.822 ( -0.126 3.843 1.103) 4.000 11.939 ( -0.060 -7.295 0.565) 7.317 12.082 ( -5.046 9.451 -0.950) 10.756 12.144 ( -6.925 3.059 -1.902) 7.806 12.254 ( -3.556 -5.349 3.016) 7.096 12.291 ( -2.047 -5.434 -1.141) 5.917 12.566 ( 1.459 7.209 -2.163) 7.667 12.618 ( -2.063 4.373 -4.081) 6.327 12.677 ( -6.058 -6.318 -13.102) 15.756 12.718 ( -6.126 -7.628 1.440) 9.889 13.043 ( 1.535 3.224 -1.832) 4.014 13.133 ( 0.731 -5.959 -4.620) 7.576 13.341 ( 0.015 1.538 -7.596) 7.750 13.407 ( -4.070 -4.843 -6.996) 9.432 13.549 ( -5.793 3.290 10.632) 12.546 13.614 ( 0.670 -3.751 13.107) 13.649 14.040 ( 0.657 1.681 9.089) 9.267 14.053 ( -3.134 0.924 10.357) 10.860 14.181 ( -9.620 7.234 -6.660) 13.756 14.285 ( -6.184 -3.366 -6.753) 9.756 14.605 ( 6.721 3.593 -2.760) 8.106 14.638 ( 6.626 0.432 -2.037) 6.946 14.897 ( 0.925 6.049 4.931) 7.859 14.978 ( -1.444 -1.669 2.370) 3.238 15.127 ( -0.352 1.535 0.690) 1.720 15.203 ( 5.544 -6.646 2.053) 8.895 15.393 ( 1.877 -0.695 0.204) 2.012 15.425 ( 5.208 -3.272 -0.052) 6.150 15.613 ( 4.530 0.679 -2.436) 5.188 15.630 ( 3.815 -1.243 -2.490) 4.722 20.162 ( -2.367 0.030 0.315) 2.388 20.181 ( -3.040 -1.880 0.455) 3.603 20.231 ( -0.354 1.524 -0.480) 1.636 20.293 ( 0.876 -5.706 -0.265) 5.779 21.091 ( -2.171 2.726 3.906) 5.234 21.124 ( -2.273 -0.983 3.658) 4.417 21.242 ( -3.241 6.486 -1.889) 7.492 21.321 ( -0.674 -0.733 -1.805) 2.062 21.524 ( -0.634 10.901 -0.311) 10.924 21.633 ( 2.524 8.102 -1.827) 8.681 21.770 ( 5.445 -8.643 3.342) 10.748 21.810 ( -1.490 1.225 1.263) 2.305 21.830 ( -8.750 -4.026 -4.018) 10.437 21.989 ( -4.499 -9.151 0.182) 10.199 22.217 ( 12.836 13.780 8.273) 20.569 22.468 ( 17.328 -11.236 8.624) 22.381 22.802 ( 1.929 1.179 -6.213) 6.612 22.834 ( 1.584 -2.138 -6.178) 6.726 22.927 ( -4.541 3.915 -7.906) 9.923 23.003 ( -3.544 -3.703 -7.891) 9.409 23.419 ( -10.217 5.406 5.917) 12.985 23.498 ( -13.091 -3.287 7.934) 15.656 23.907 ( 10.466 8.018 -2.964) 13.513 24.041 ( 14.900 -6.211 -1.635) 16.225 26.265 ( -1.445 1.130 0.891) 2.039 26.290 ( -1.854 -1.539 0.897) 2.571 26.368 ( -1.448 2.073 -0.979) 2.712 26.423 ( -0.099 -3.871 -1.037) 4.009 ======================= Grid point 54 (32/54) ======================= q-point: (-0.29 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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| 1.500 ( -16.195 13.193 -4.181) 21.303 1.607 ( -15.758 16.830 6.721) 24.015 1.714 ( -5.726 -9.120 -8.139) 13.498 1.893 ( -7.847 -12.408 10.329) 17.951 2.015 ( -3.736 2.687 1.141) 4.741 2.119 ( -5.271 -7.413 -0.647) 9.119 2.291 ( -2.462 3.187 -2.225) 4.601 2.370 ( 2.638 -1.785 -3.024) 4.392 2.523 ( 3.710 -0.909 -0.051) 3.820 2.549 ( -0.804 -1.164 -3.471) 3.748 2.605 ( -5.957 2.494 -4.622) 7.942 2.623 ( -1.925 -2.885 -4.817) 5.936 2.651 ( -1.995 2.374 -2.649) 4.078 2.704 ( 0.557 1.322 -1.339) 1.962 2.780 ( -1.371 -2.245 -3.408) 4.305 2.814 ( 2.953 -3.420 -4.205) 6.173 2.890 ( 0.227 2.563 4.548) 5.226 2.918 ( -6.194 0.645 4.633) 7.761 2.968 ( 4.066 2.717 6.447) 8.092 3.029 ( 4.495 -2.360 5.288) 7.330 3.146 ( -4.865 8.640 2.548) 10.237 3.215 ( -6.781 4.004 -0.686) 7.905 3.219 ( -1.932 2.406 2.377) 3.895 3.236 ( -4.127 4.178 1.935) 6.183 3.326 ( 3.572 -3.357 0.195) 4.906 3.383 ( -3.498 3.026 -1.838) 4.977 3.400 ( -0.083 -6.371 -0.201) 6.375 3.523 ( -7.108 -0.462 -1.746) 7.334 3.574 ( -0.899 2.807 0.544) 2.998 3.640 ( -2.566 0.487 0.316) 2.631 3.768 ( -9.916 2.035 -0.898) 10.162 3.838 ( -14.898 -6.941 -1.798) 16.534 3.910 ( 0.966 2.569 2.446) 3.676 3.992 ( -0.810 -0.818 -0.195) 1.168 4.032 ( -8.366 4.671 1.447) 9.690 4.068 ( -5.703 -0.344 -1.847) 6.005 4.102 ( -6.963 -0.035 3.286) 7.700 4.184 ( -4.408 -7.079 3.194) 8.930 4.296 ( 1.018 0.540 1.474) 1.871 4.338 ( 2.110 -3.161 1.583) 4.117 4.446 ( 8.652 4.247 -3.930) 10.408 4.529 ( 6.065 -2.733 0.194) 6.655 4.596 ( 5.973 -0.313 -1.585) 6.187 4.647 ( 5.402 -3.643 -1.317) 6.647 4.773 ( 3.789 4.305 -1.037) 5.828 4.811 ( 4.961 0.693 -0.599) 5.045 4.842 ( -1.994 4.416 -4.353) 6.513 4.901 ( -0.420 -1.892 -0.843) 2.113 4.957 ( 3.684 3.287 0.341) 4.949 5.045 ( 3.891 -4.225 1.230) 5.874 5.170 ( 1.393 3.287 1.000) 3.707 5.257 ( -3.125 3.676 -0.672) 4.871 5.260 ( -1.879 -6.185 1.541) 6.645 5.336 ( -0.280 -3.588 -2.423) 4.339 5.388 ( 5.323 4.025 -2.007) 6.968 5.414 ( -0.187 0.768 -2.963) 3.067 5.459 ( -0.538 2.483 -0.044) 2.541 5.504 ( -3.300 -3.001 0.491) 4.488 5.514 ( -1.799 -0.901 -3.230) 3.805 5.593 ( 5.345 -7.719 -4.304) 10.328 5.670 ( 1.499 1.084 -3.292) 3.776 5.727 ( 1.689 -3.419 -4.104) 5.602 5.892 ( 2.902 2.797 2.027) 4.512 5.911 ( 1.850 0.123 1.032) 2.122 5.963 ( 4.402 1.462 5.370) 7.096 6.012 ( 4.490 -3.348 6.172) 8.335 6.238 ( 9.466 2.525 3.003) 10.247 6.272 ( 10.439 -0.599 1.417) 10.552 6.629 ( 3.908 8.627 -1.174) 9.543 6.688 ( 4.765 8.193 0.905) 9.521 6.729 ( 2.141 0.221 -0.321) 2.176 6.858 ( 4.209 -7.237 0.157) 8.373 6.998 ( 0.120 3.607 0.663) 3.669 7.044 ( 1.351 -0.663 1.593) 2.192 7.077 ( -1.079 2.545 -1.482) 3.137 7.147 ( -2.032 -4.323 3.469) 5.904 7.262 ( 0.292 2.410 1.214) 2.715 7.291 ( 2.828 -0.266 -1.153) 3.066 7.333 ( 2.950 -0.207 0.403) 2.984 7.347 ( 1.934 -1.352 -0.264) 2.374 7.626 ( -1.224 1.458 2.426) 3.084 7.681 ( 1.436 -3.671 1.747) 4.311 7.898 ( 1.918 3.345 -1.562) 4.160 7.936 ( 2.945 -0.260 -2.636) 3.961 8.327 ( -1.541 0.255 -1.878) 2.443 8.346 ( -1.341 -2.573 -1.963) 3.503 8.483 ( -1.128 3.550 0.739) 3.797 8.509 ( -0.398 1.917 -1.442) 2.432 8.585 ( -0.509 -1.399 0.485) 1.566 8.659 ( -0.047 -5.111 -3.374) 6.125 8.789 ( -0.352 5.050 1.847) 5.389 8.845 ( -0.803 2.038 -1.973) 2.948 8.888 ( -0.171 -4.769 3.940) 6.189 8.912 ( 1.867 -2.657 -1.524) 3.587 8.969 ( -3.800 0.724 0.051) 3.869 9.021 ( -6.170 -3.336 4.124) 8.137 9.140 ( -1.084 -0.336 2.351) 2.611 9.146 ( -1.430 -0.827 2.019) 2.609 9.373 ( -1.028 8.085 4.029) 9.091 9.408 ( -3.121 3.221 1.961) 4.895 9.442 ( -3.307 2.442 5.332) 6.732 9.523 ( -1.369 -2.978 5.967) 6.808 9.631 ( -3.554 5.025 1.538) 6.344 9.715 ( 4.100 0.087 0.420) 4.122 9.754 ( -0.074 4.112 -0.316) 4.125 9.859 ( -1.350 -5.635 -2.172) 6.188 9.888 ( 0.345 1.714 3.643) 4.040 9.988 ( 2.334 -4.644 1.820) 5.507 10.076 ( -1.869 2.357 -5.754) 6.493 10.108 ( 3.648 2.788 1.246) 4.758 10.179 ( -2.491 -4.771 -1.584) 5.611 10.202 ( -0.446 -6.275 2.342) 6.712 10.437 ( 7.572 -0.760 -3.445) 8.353 10.467 ( 7.309 -2.273 -2.432) 8.031 10.878 ( 7.024 4.207 0.197) 8.190 10.935 ( 6.148 -1.778 1.212) 6.514 11.222 ( -3.567 3.143 -6.553) 8.096 11.281 ( -3.554 -2.657 -1.426) 4.661 11.499 ( 3.689 5.711 -3.143) 7.491 11.539 ( -1.857 2.637 5.817) 6.652 11.664 ( 1.613 -0.394 -1.976) 2.581 11.679 ( -0.575 -2.358 -7.941) 8.304 11.798 ( -3.092 2.057 0.476) 3.744 11.873 ( -7.046 -4.109 -6.022) 10.139 11.924 ( -10.433 1.019 -1.898) 10.653 11.967 ( -7.455 -3.400 3.993) 9.115 12.162 ( -8.424 -0.965 2.599) 8.868 12.201 ( -7.595 -1.877 -0.727) 7.857 12.411 ( -9.739 -1.409 -9.767) 13.865 12.432 ( -9.026 -5.429 -4.003) 11.268 12.666 ( 0.705 5.737 2.110) 6.153 12.729 ( 3.746 -1.532 4.915) 6.366 13.031 ( -2.045 -1.958 -1.534) 3.220 13.048 ( -6.123 -2.979 -1.661) 7.009 13.251 ( -3.746 1.122 -6.162) 7.298 13.300 ( -0.917 -3.576 -6.631) 7.589 13.470 ( -6.855 3.956 2.121) 8.194 13.565 ( -11.515 -5.073 5.046) 13.557 13.886 ( -13.484 1.280 0.868) 13.573 13.927 ( -13.495 -3.319 -1.060) 13.938 14.205 ( 5.021 3.617 7.595) 9.797 14.252 ( 1.445 -2.068 4.916) 5.525 14.693 ( 4.511 5.679 -4.255) 8.409 14.747 ( 6.219 -0.670 -4.012) 7.432 14.913 ( -1.407 3.568 4.265) 5.735 15.000 ( 0.379 -3.571 6.167) 7.136 15.156 ( 3.133 7.689 0.539) 8.320 15.332 ( 6.724 -9.790 1.612) 11.985 15.523 ( 10.842 2.988 -0.313) 11.251 15.586 ( 11.386 -3.412 -1.151) 11.942 15.726 ( 8.635 0.124 -1.436) 8.755 15.735 ( 8.718 -0.699 -1.352) 8.850 20.100 ( -4.294 -0.775 0.195) 4.368 20.105 ( -4.528 -1.169 -0.479) 4.701 20.194 ( -3.371 2.452 -0.211) 4.174 20.270 ( -3.434 -6.356 -0.191) 7.227 21.033 ( -5.642 3.312 3.360) 7.355 21.079 ( -3.966 -0.839 1.650) 4.377 21.187 ( -3.348 5.751 1.280) 6.777 21.300 ( -1.669 -4.736 -0.808) 5.086 21.459 ( -2.337 11.759 -2.210) 12.191 21.663 ( -2.711 -7.838 -3.646) 9.059 21.733 ( 4.449 6.157 0.193) 7.599 21.804 ( -1.404 3.527 2.616) 4.610 21.869 ( 0.149 -3.976 3.154) 5.077 21.963 ( 3.388 -11.852 0.022) 12.327 22.569 ( 19.025 19.607 2.342) 27.420 22.732 ( 1.282 4.572 -10.008) 11.077 22.792 ( 0.058 -3.013 0.501) 3.055 22.842 ( 2.251 -2.590 -4.830) 5.925 22.871 ( 2.770 -0.072 0.997) 2.944 22.965 ( 13.708 -9.386 -3.877) 17.060 23.275 ( -7.920 2.356 6.630) 10.594 23.327 ( -9.837 -2.832 6.498) 12.125 24.140 ( 14.286 12.506 -0.955) 19.011 24.333 ( 16.823 -8.208 -1.190) 18.757 26.228 ( -3.015 0.790 0.821) 3.223 26.246 ( -3.340 -1.028 0.652) 3.555 26.308 ( -4.361 2.453 -0.813) 5.069 26.381 ( -4.079 -5.591 -1.345) 7.050 ======================= Grid point 55 (33/54) ======================= q-point: (-0.14 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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| 1.204 ( -11.347 21.647 -6.324) 25.246 1.398 ( -12.229 26.095 7.141) 29.690 1.559 ( -2.598 -15.895 -12.231) 20.224 1.851 ( -6.266 -21.440 8.090) 23.757 1.934 ( -5.104 -0.704 1.771) 5.448 1.994 ( -5.886 -6.140 -1.184) 8.588 2.223 ( -3.246 17.796 0.181) 18.090 2.363 ( -1.493 1.740 -10.750) 10.992 2.385 ( -1.819 5.394 -4.914) 7.521 2.470 ( -1.672 -2.093 -4.877) 5.564 2.542 ( -1.985 4.253 -1.404) 4.898 2.583 ( -7.227 7.383 1.864) 10.498 2.636 ( -0.686 -5.268 3.815) 6.540 2.681 ( -3.821 10.122 1.489) 10.921 2.722 ( -0.556 -4.834 -1.904) 5.225 2.805 ( 2.451 6.580 -1.429) 7.166 2.858 ( 0.027 -2.073 1.407) 2.505 2.921 ( 0.694 -1.284 3.678) 3.957 2.986 ( -7.391 -1.380 2.622) 7.962 3.054 ( 0.833 5.814 2.990) 6.590 3.143 ( 1.827 -3.873 -0.061) 4.283 3.165 ( -1.928 -5.529 1.426) 6.027 3.247 ( 2.002 4.517 2.171) 5.397 3.287 ( -0.027 5.082 -0.919) 5.164 3.318 ( 0.419 -4.345 -1.667) 4.672 3.325 ( -1.966 0.776 1.059) 2.364 3.408 ( -2.045 -11.480 4.990) 12.684 3.491 ( 0.234 -9.762 -2.559) 10.095 3.544 ( -4.841 0.549 0.793) 4.936 3.602 ( -5.440 -3.073 0.643) 6.281 3.669 ( 6.797 2.783 2.107) 7.641 3.686 ( 5.027 0.134 0.706) 5.078 3.862 ( -5.409 6.425 -0.680) 8.426 3.940 ( -3.500 5.468 2.827) 7.081 3.956 ( -4.013 1.619 -0.373) 4.343 4.006 ( -3.509 -2.638 0.555) 4.425 4.027 ( -5.334 -3.894 4.273) 7.866 4.058 ( -8.103 -6.685 -1.614) 10.628 4.250 ( -3.731 1.265 -0.261) 3.948 4.329 ( -0.231 -6.219 4.464) 7.658 4.569 ( -0.859 4.647 -3.035) 5.617 4.621 ( 5.288 0.110 -2.959) 6.060 4.649 ( -0.571 0.608 -2.935) 3.051 4.683 ( 3.247 -3.065 -2.962) 5.358 4.750 ( -3.162 2.386 -6.442) 7.563 4.817 ( 0.255 -2.081 -3.856) 4.389 4.905 ( 3.477 5.895 1.178) 6.945 4.993 ( 8.355 -0.529 2.494) 8.735 5.022 ( -2.746 0.369 2.993) 4.079 5.057 ( 5.713 -1.621 1.081) 6.036 5.173 ( -3.458 1.987 -2.245) 4.577 5.210 ( -3.724 -0.978 -1.689) 4.204 5.233 ( 1.276 4.996 0.373) 5.170 5.272 ( -1.427 3.246 -2.131) 4.137 5.296 ( -3.601 -2.180 -3.539) 5.499 5.382 ( 3.721 -7.070 0.170) 7.991 5.463 ( 1.051 1.077 -4.097) 4.365 5.556 ( 2.457 -5.374 -3.073) 6.660 5.589 ( 3.997 2.953 -0.991) 5.068 5.667 ( 3.878 -6.659 0.323) 7.713 5.720 ( 5.029 1.125 -1.711) 5.429 5.769 ( 4.913 -2.374 -2.061) 5.832 5.949 ( 2.014 1.679 2.288) 3.480 5.983 ( 4.304 -2.075 1.692) 5.069 6.070 ( 2.861 3.163 4.939) 6.525 6.131 ( 2.427 -3.286 6.495) 7.672 6.408 ( 7.578 2.494 -1.040) 8.045 6.432 ( 6.369 0.262 -2.767) 6.949 6.693 ( 2.287 6.885 2.708) 7.744 6.756 ( 2.431 8.035 -0.909) 8.444 6.784 ( 3.249 -1.540 3.542) 5.047 6.881 ( -1.044 -3.954 1.158) 4.250 6.986 ( -5.347 2.977 -2.321) 6.545 7.051 ( 1.900 2.333 2.398) 3.848 7.070 ( -3.378 -2.829 1.087) 4.538 7.105 ( -0.922 -2.519 2.953) 3.990 7.271 ( 0.889 4.626 -2.330) 5.256 7.332 ( 3.819 0.280 -5.169) 6.433 7.394 ( 2.273 -0.967 1.601) 2.943 7.418 ( 3.122 -1.515 5.995) 6.926 7.636 ( 0.244 1.663 5.671) 5.915 7.697 ( -0.658 -4.659 3.570) 5.906 7.983 ( 7.042 2.173 -4.778) 8.783 7.992 ( 9.014 1.513 -4.847) 10.346 8.309 ( 0.238 -1.156 0.485) 1.276 8.327 ( 0.111 -3.554 -0.318) 3.570 8.415 ( -5.240 3.952 -0.368) 6.573 8.480 ( -2.250 -0.560 -0.212) 2.329 8.582 ( -1.321 -0.196 -0.351) 1.381 8.633 ( 2.137 -3.359 -2.218) 4.557 8.750 ( -4.867 4.652 4.156) 7.912 8.814 ( -6.994 0.239 2.008) 7.280 8.863 ( -6.625 2.375 -2.740) 7.552 8.894 ( -0.357 -3.115 -0.936) 3.272 8.981 ( 4.226 -0.725 5.368) 6.871 9.031 ( 1.106 -4.252 0.115) 4.395 9.075 ( -2.134 1.930 0.486) 2.918 9.104 ( -3.172 -1.200 -0.612) 3.446 9.306 ( -5.808 2.493 1.848) 6.585 9.343 ( -5.531 -1.100 0.209) 5.643 9.467 ( -0.500 6.208 3.015) 6.920 9.545 ( -1.425 -0.175 3.231) 3.535 9.566 ( -2.736 4.179 3.907) 6.342 9.683 ( -6.928 -8.776 1.121) 11.236 9.824 ( 7.121 6.527 0.324) 9.666 9.854 ( 7.045 5.215 0.728) 8.796 9.989 ( 2.121 -1.105 -0.687) 2.488 10.023 ( 3.597 -1.294 -1.600) 4.144 10.090 ( 4.760 -1.102 -0.055) 4.886 10.107 ( 0.319 -1.370 -2.312) 2.706 10.229 ( 2.832 0.218 1.695) 3.308 10.250 ( 3.020 -1.243 3.493) 4.782 10.558 ( 8.970 -2.245 -4.402) 10.241 10.576 ( 6.707 -3.530 -3.593) 8.388 10.969 ( 1.504 3.360 -1.750) 4.076 11.021 ( 1.621 -1.639 -0.125) 2.308 11.111 ( -5.777 2.037 -2.097) 6.475 11.179 ( -7.213 -4.360 -1.273) 8.523 11.378 ( -9.189 7.099 -10.119) 15.401 11.501 ( -3.597 -0.876 -3.356) 4.997 11.552 ( -6.352 0.360 -7.373) 9.738 11.642 ( -8.698 -0.400 -3.893) 9.538 11.661 ( -1.536 -0.080 -2.057) 2.569 11.728 ( -2.619 4.293 -0.537) 5.057 11.823 ( -5.732 -6.873 -6.006) 10.778 11.903 ( 0.314 -8.219 -2.104) 8.490 12.037 ( -6.887 1.839 0.514) 7.147 12.077 ( -3.702 -2.338 2.433) 5.009 12.219 ( -3.660 2.503 0.652) 4.482 12.285 ( -4.139 -4.477 1.747) 6.342 12.683 ( 0.024 8.181 -0.238) 8.184 12.838 ( 1.630 -7.070 2.359) 7.630 12.934 ( -2.275 5.021 3.983) 6.800 13.007 ( -0.814 -3.114 -0.392) 3.243 13.131 ( -7.445 1.750 -1.504) 7.794 13.236 ( -5.214 -7.984 -0.395) 9.544 13.405 ( -1.713 0.826 -1.240) 2.270 13.413 ( 1.164 -0.454 -1.620) 2.045 13.666 ( -13.034 -1.357 3.629) 13.598 13.675 ( -10.935 -1.062 1.494) 11.087 14.289 ( -1.064 1.243 2.739) 3.190 14.312 ( 1.101 -0.570 5.448) 5.588 14.699 ( 0.698 7.107 -7.048) 10.034 14.773 ( 1.877 -1.434 -7.758) 8.110 14.962 ( 1.488 3.732 7.949) 8.906 15.063 ( 1.151 -7.017 8.860) 11.361 15.220 ( 1.984 11.876 2.324) 12.263 15.430 ( 3.013 -10.298 0.446) 10.739 15.730 ( 10.285 2.995 0.207) 10.714 15.776 ( 8.962 -2.052 -0.598) 9.213 15.876 ( 7.487 0.178 -0.851) 7.538 15.887 ( 7.545 -0.815 -0.752) 7.626 20.023 ( -3.372 0.155 -0.251) 3.385 20.039 ( -2.209 -1.213 -0.629) 2.598 20.119 ( -4.192 2.037 -0.217) 4.666 20.177 ( -5.669 -4.371 -0.701) 7.193 20.962 ( -3.818 4.064 2.482) 6.104 21.024 ( -2.793 -1.619 1.127) 3.419 21.131 ( -3.296 4.766 1.595) 6.010 21.243 ( -2.781 -6.145 -1.299) 6.869 21.449 ( 1.173 12.048 0.856) 12.136 21.632 ( 0.558 -7.171 -0.571) 7.215 21.794 ( -0.993 3.895 2.218) 4.591 21.811 ( 2.972 5.689 0.283) 6.425 21.865 ( -0.953 -0.278 0.896) 1.338 22.038 ( 3.133 -13.039 -0.518) 13.420 22.608 ( -0.162 10.433 -19.710) 22.302 22.736 ( -1.100 -3.432 -6.176) 7.151 22.777 ( 3.422 1.408 -1.853) 4.138 22.829 ( 2.323 -4.045 -6.106) 7.684 23.061 ( 2.737 4.260 -0.378) 5.078 23.122 ( -0.608 -1.830 -2.330) 3.025 23.310 ( 9.781 3.695 18.100) 20.903 23.402 ( 11.866 -6.500 12.313) 18.294 24.372 ( 10.328 14.473 1.650) 17.857 24.603 ( 13.024 -10.098 -1.178) 16.522 26.178 ( -2.626 0.628 0.462) 2.740 26.191 ( -2.714 -0.676 0.352) 2.818 26.215 ( -4.727 0.982 -0.469) 4.850 26.257 ( -7.920 -4.097 -1.298) 9.010 ======================= Grid point 70 (34/54) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -0.320 0.000 26.060) 26.062 1.171 ( -0.595 0.000 29.660) 29.666 1.291 ( 1.283 0.000 16.821) 16.870 1.496 ( -17.491 0.000 -15.777) 23.555 1.532 ( 15.425 0.000 -17.265) 23.152 1.706 ( 1.269 0.000 -25.881) 25.912 2.104 ( 2.418 0.000 1.785) 3.005 2.188 ( -3.292 0.000 -6.185) 7.007 2.428 ( -2.742 0.000 1.158) 2.977 2.470 ( 2.725 0.000 -4.806) 5.525 2.597 ( 3.136 0.000 4.411) 5.413 2.626 ( -2.282 0.000 2.203) 3.172 2.666 ( -1.587 0.000 2.085) 2.620 2.712 ( -0.435 0.000 -2.850) 2.883 2.767 ( 1.049 0.000 6.735) 6.817 2.784 ( 1.846 0.000 2.021) 2.737 2.917 ( -1.828 0.000 2.836) 3.374 2.924 ( 4.880 0.000 6.906) 8.457 2.975 ( -3.334 0.000 1.193) 3.541 2.998 ( 1.539 0.000 -2.764) 3.164 3.009 ( -1.273 0.000 0.235) 1.294 3.129 ( -3.778 0.000 2.222) 4.383 3.162 ( 6.809 0.000 0.010) 6.809 3.266 ( -2.724 0.000 8.464) 8.892 3.306 ( -0.124 0.000 -13.635) 13.636 3.396 ( 0.942 0.000 -0.095) 0.946 3.397 ( -0.987 0.000 -2.208) 2.418 3.455 ( 1.033 0.000 -12.495) 12.537 3.507 ( -0.157 0.000 1.504) 1.512 3.550 ( -0.373 0.000 -3.038) 3.061 3.702 ( -10.120 0.000 -0.948) 10.164 3.728 ( 10.368 0.000 -3.263) 10.870 3.804 ( 5.678 0.000 8.709) 10.397 3.938 ( -9.386 0.000 -1.574) 9.517 3.980 ( 8.577 0.000 -2.689) 8.989 3.986 ( -11.255 0.000 -1.754) 11.391 4.073 ( 2.846 0.000 0.980) 3.010 4.145 ( 2.372 0.000 -5.485) 5.976 4.345 ( -5.420 0.000 6.820) 8.711 4.463 ( 3.182 0.000 -4.605) 5.598 4.543 ( -3.083 0.000 0.045) 3.084 4.546 ( 4.179 0.000 0.208) 4.184 4.654 ( 7.449 0.000 5.132) 9.046 4.672 ( -6.460 0.000 3.995) 7.595 4.755 ( 2.199 0.000 2.924) 3.658 4.853 ( -4.808 0.000 -5.495) 7.301 4.878 ( 3.365 0.000 1.107) 3.542 4.933 ( 2.974 0.000 -3.030) 4.245 4.954 ( 3.279 0.000 -0.327) 3.295 4.973 ( -5.127 0.000 -2.441) 5.679 5.034 ( -1.705 0.000 -0.114) 1.709 5.120 ( 0.466 0.000 -6.193) 6.211 5.328 ( 3.008 0.000 1.262) 3.262 5.331 ( -3.848 0.000 1.954) 4.315 5.415 ( 8.228 0.000 3.230) 8.840 5.419 ( -7.966 0.000 2.228) 8.271 5.466 ( 4.301 0.000 4.574) 6.278 5.535 ( -3.011 0.000 -3.061) 4.294 5.692 ( -5.071 0.000 5.272) 7.315 5.746 ( 1.176 0.000 -2.454) 2.722 5.771 ( 6.265 0.000 -2.192) 6.638 5.847 ( -5.689 0.000 -8.971) 10.622 5.997 ( 1.408 0.000 0.969) 1.709 5.999 ( 0.294 0.000 -0.803) 0.855 6.339 ( 4.867 0.000 4.034) 6.321 6.347 ( -4.321 0.000 2.580) 5.033 6.516 ( 1.619 0.000 0.687) 1.759 6.532 ( -2.577 0.000 -1.044) 2.780 6.561 ( -0.532 0.000 1.223) 1.334 6.578 ( 4.513 0.000 -0.356) 4.527 6.722 ( -1.505 0.000 3.095) 3.442 6.809 ( -1.202 0.000 -2.524) 2.795 6.935 ( 1.497 0.000 0.610) 1.617 6.956 ( -1.556 0.000 0.849) 1.773 7.064 ( -5.339 0.000 5.505) 7.669 7.132 ( 2.279 0.000 2.808) 3.616 7.231 ( -4.002 0.000 -4.546) 6.056 7.256 ( 1.243 0.000 -4.164) 4.346 7.339 ( 5.009 0.000 5.628) 7.534 7.458 ( -0.245 0.000 -4.899) 4.905 7.766 ( 0.391 0.000 10.011) 10.019 7.881 ( -1.479 0.000 -1.591) 2.172 7.920 ( 5.272 0.000 1.065) 5.379 8.019 ( -5.741 0.000 -6.974) 9.033 8.268 ( 0.836 0.000 2.492) 2.628 8.290 ( -0.890 0.000 0.312) 0.943 8.383 ( 0.604 0.000 -2.715) 2.781 8.397 ( 0.614 0.000 -3.482) 3.536 8.550 ( -10.414 0.000 4.850) 11.488 8.632 ( 6.838 0.000 -3.484) 7.675 8.672 ( 0.382 0.000 -0.245) 0.454 8.703 ( 2.652 0.000 -2.402) 3.578 8.762 ( -1.406 0.000 -1.162) 1.824 8.807 ( 3.037 0.000 -4.383) 5.332 8.946 ( -2.032 0.000 3.393) 3.955 9.012 ( 0.820 0.000 -2.100) 2.255 9.145 ( 1.993 0.000 0.687) 2.108 9.176 ( -3.160 0.000 -0.423) 3.188 9.194 ( 0.611 0.000 0.835) 1.035 9.249 ( -0.118 0.000 -3.323) 3.325 9.378 ( 5.133 0.000 4.176) 6.617 9.414 ( -2.393 0.000 3.818) 4.506 9.461 ( -3.861 0.000 6.339) 7.423 9.656 ( -6.455 0.000 -9.439) 11.435 9.878 ( -1.591 0.000 5.741) 5.958 9.921 ( 3.519 0.000 1.716) 3.915 10.100 ( -0.179 0.000 2.449) 2.456 10.102 ( 0.437 0.000 4.677) 4.697 10.186 ( -0.819 0.000 0.363) 0.896 10.247 ( 2.894 0.000 -5.290) 6.029 10.317 ( -2.478 0.000 0.270) 2.492 10.328 ( 1.347 0.000 -0.793) 1.563 10.646 ( -1.326 0.000 1.105) 1.727 10.705 ( 2.982 0.000 -3.479) 4.582 10.908 ( -6.299 0.000 -0.309) 6.306 10.931 ( 7.815 0.000 -2.518) 8.211 11.054 ( 1.281 0.000 -1.296) 1.822 11.074 ( -4.937 0.000 -2.678) 5.617 11.329 ( 1.233 0.000 5.974) 6.100 11.400 ( -0.371 0.000 -2.078) 2.111 11.563 ( -2.039 0.000 5.874) 6.218 11.585 ( -2.297 0.000 1.053) 2.527 11.606 ( 4.632 0.000 0.110) 4.633 11.665 ( -1.101 0.000 -6.211) 6.308 11.789 ( 5.545 0.000 7.634) 9.435 11.962 ( -10.497 0.000 -1.891) 10.666 11.998 ( 4.624 0.000 -2.137) 5.094 12.024 ( 4.767 0.000 -10.061) 11.133 12.200 ( 2.477 0.000 7.783) 8.168 12.263 ( -3.129 0.000 3.021) 4.349 12.590 ( 3.624 0.000 2.216) 4.248 12.698 ( -0.322 0.000 -5.197) 5.207 12.824 ( -1.952 0.000 -4.344) 4.763 12.860 ( 1.518 0.000 -5.031) 5.255 13.083 ( -9.400 0.000 0.852) 9.439 13.118 ( 9.879 0.000 -3.807) 10.587 13.520 ( -5.347 0.000 4.932) 7.274 13.585 ( 4.358 0.000 -1.584) 4.637 13.669 ( 2.363 0.000 3.527) 4.245 13.718 ( 1.737 0.000 -1.950) 2.612 14.330 ( -2.890 0.000 3.012) 4.174 14.386 ( 0.397 0.000 -2.883) 2.910 14.559 ( -0.693 0.000 9.941) 9.965 14.726 ( 0.954 0.000 -7.168) 7.231 14.908 ( -5.649 0.000 1.421) 5.825 14.935 ( 4.399 0.000 -1.634) 4.693 15.478 ( -3.256 0.000 5.151) 6.094 15.573 ( 1.997 0.000 -4.609) 5.023 15.851 ( 1.207 0.000 3.277) 3.492 15.900 ( -1.452 0.000 -2.012) 2.481 15.928 ( 1.648 0.000 0.877) 1.866 15.950 ( -0.886 0.000 -1.204) 1.495 19.984 ( -5.051 0.000 0.280) 5.059 19.994 ( 2.164 0.000 -0.721) 2.281 20.078 ( -1.261 0.000 0.455) 1.341 20.086 ( 1.436 0.000 -0.420) 1.496 20.879 ( -0.331 0.000 2.101) 2.127 20.912 ( 0.130 0.000 -1.328) 1.335 21.164 ( -3.051 0.000 2.961) 4.252 21.216 ( 2.502 0.000 -2.774) 3.736 21.227 ( -0.026 0.000 4.164) 4.164 21.303 ( -0.396 0.000 -3.478) 3.500 21.726 ( 0.302 0.000 2.120) 2.141 21.754 ( -0.552 0.000 -0.563) 0.789 21.841 ( 2.467 0.000 2.100) 3.240 21.880 ( -2.282 0.000 -1.844) 2.934 22.679 ( 3.131 0.000 6.516) 7.230 22.806 ( -3.242 0.000 -6.299) 7.084 22.821 ( 2.831 0.000 1.624) 3.264 22.865 ( -1.877 0.000 -2.898) 3.453 23.020 ( 0.470 0.000 -0.219) 0.518 23.053 ( 0.015 0.000 -3.174) 3.174 23.624 ( 0.473 0.000 11.034) 11.044 23.807 ( 0.202 0.000 -8.223) 8.226 24.749 ( 4.782 0.000 0.628) 4.823 24.766 ( -1.668 0.000 -1.217) 2.065 26.140 ( 0.283 0.000 0.076) 0.293 26.142 ( -1.335 0.000 -0.146) 1.343 26.179 ( -0.986 0.000 0.168) 1.001 26.181 ( 1.017 0.000 -0.046) 1.018 ======================= Grid point 71 (35/54) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 1.680 0.000 21.219) 21.285 1.182 ( -2.181 0.000 -16.701) 16.843 1.484 ( 13.208 0.000 25.766) 28.954 1.643 ( 12.079 0.000 -23.691) 26.592 1.793 ( 26.680 0.000 3.879) 26.961 1.801 ( 20.894 0.000 -8.653) 22.615 2.110 ( -1.298 0.000 -5.510) 5.661 2.195 ( 5.555 0.000 5.686) 7.949 2.385 ( -0.741 0.000 0.268) 0.788 2.465 ( -0.707 0.000 -0.453) 0.840 2.607 ( 0.906 0.000 -0.386) 0.985 2.646 ( -0.460 0.000 -1.226) 1.309 2.673 ( -1.835 0.000 1.119) 2.149 2.730 ( 2.988 0.000 0.292) 3.002 2.766 ( -0.146 0.000 2.300) 2.305 2.812 ( 0.646 0.000 -1.310) 1.461 2.902 ( 0.471 0.000 3.335) 3.368 2.945 ( 1.466 0.000 -3.036) 3.372 2.993 ( -3.760 0.000 -1.193) 3.944 3.007 ( 0.768 0.000 1.842) 1.995 3.108 ( 2.469 0.000 -2.195) 3.304 3.162 ( 7.346 0.000 12.770) 14.732 3.238 ( 4.000 0.000 4.520) 6.036 3.264 ( 7.068 0.000 -14.709) 16.319 3.325 ( -0.254 0.000 4.402) 4.410 3.341 ( -2.264 0.000 -6.387) 6.777 3.391 ( 1.485 0.000 1.710) 2.265 3.457 ( 6.164 0.000 -6.978) 9.311 3.493 ( -6.215 0.000 2.787) 6.811 3.557 ( 0.746 0.000 0.634) 0.979 3.599 ( 3.343 0.000 1.248) 3.569 3.683 ( -12.301 0.000 0.196) 12.302 3.714 ( -9.661 0.000 -3.463) 10.262 3.918 ( 7.783 0.000 -1.412) 7.910 4.000 ( 4.908 0.000 6.170) 7.884 4.115 ( 1.440 0.000 5.087) 5.286 4.141 ( 2.932 0.000 -0.692) 3.013 4.167 ( 5.398 0.000 -4.589) 7.085 4.374 ( 5.034 0.000 3.824) 6.322 4.448 ( -3.999 0.000 0.579) 4.041 4.509 ( -4.538 0.000 -0.416) 4.557 4.598 ( 3.526 0.000 -0.807) 3.617 4.616 ( 2.650 0.000 -1.262) 2.935 4.730 ( -6.357 0.000 -1.903) 6.636 4.740 ( -5.691 0.000 -0.493) 5.713 4.815 ( 2.124 0.000 0.751) 2.253 4.852 ( -4.100 0.000 -8.744) 9.658 4.904 ( 1.317 0.000 1.366) 1.897 4.952 ( 4.677 0.000 1.961) 5.071 5.003 ( 0.652 0.000 2.474) 2.559 5.101 ( 1.742 0.000 -4.700) 5.012 5.152 ( 9.192 0.000 2.696) 9.579 5.259 ( -8.491 0.000 0.855) 8.534 5.274 ( -2.995 0.000 -0.557) 3.046 5.357 ( -1.395 0.000 -0.024) 1.395 5.420 ( -7.732 0.000 -1.699) 7.917 5.457 ( -4.544 0.000 0.764) 4.608 5.548 ( 2.900 0.000 3.961) 4.909 5.589 ( -11.565 0.000 -6.391) 13.214 5.685 ( 0.627 0.000 4.600) 4.642 5.730 ( -3.688 0.000 0.809) 3.775 5.802 ( -1.717 0.000 0.663) 1.841 5.965 ( -2.678 0.000 -1.326) 2.988 5.973 ( -4.315 0.000 -1.908) 4.718 6.199 ( -11.120 0.000 -0.412) 11.127 6.349 ( -5.143 0.000 2.658) 5.789 6.421 ( -9.798 0.000 -0.462) 9.809 6.462 ( -8.428 0.000 -0.127) 8.429 6.556 ( 1.042 0.000 0.420) 1.123 6.569 ( -2.258 0.000 -3.384) 4.068 6.737 ( -0.763 0.000 3.968) 4.041 6.807 ( 2.709 0.000 -1.505) 3.099 6.978 ( 0.983 0.000 -1.516) 1.807 6.988 ( -5.704 0.000 6.637) 8.752 7.013 ( 4.189 0.000 0.496) 4.218 7.117 ( -4.135 0.000 4.846) 6.370 7.199 ( 4.021 0.000 0.360) 4.037 7.271 ( 0.668 0.000 -1.296) 1.458 7.415 ( -0.669 0.000 5.384) 5.426 7.419 ( 1.395 0.000 -11.440) 11.524 7.822 ( -0.987 0.000 7.703) 7.766 7.831 ( -1.709 0.000 -3.880) 4.239 7.886 ( -4.529 0.000 -3.183) 5.536 7.986 ( -1.481 0.000 1.806) 2.336 8.290 ( 0.722 0.000 1.692) 1.839 8.315 ( 2.268 0.000 0.893) 2.437 8.402 ( 2.897 0.000 -5.641) 6.341 8.459 ( 8.386 0.000 -2.363) 8.713 8.542 ( 5.322 0.000 9.372) 10.778 8.637 ( -2.740 0.000 -0.422) 2.773 8.672 ( 0.241 0.000 1.583) 1.601 8.677 ( -1.315 0.000 -1.099) 1.714 8.868 ( 6.254 0.000 -2.484) 6.730 8.905 ( 9.911 0.000 -6.252) 11.718 8.948 ( -1.956 0.000 5.764) 6.087 8.973 ( -4.452 0.000 -1.766) 4.789 9.131 ( 5.428 0.000 -0.691) 5.472 9.208 ( -1.649 0.000 -4.232) 4.542 9.214 ( 3.890 0.000 3.229) 5.055 9.262 ( 3.135 0.000 0.540) 3.181 9.327 ( -1.943 0.000 -1.329) 2.354 9.433 ( -2.818 0.000 -0.353) 2.840 9.520 ( -3.381 0.000 16.314) 16.660 9.575 ( 3.457 0.000 -2.163) 4.078 9.820 ( -5.595 0.000 1.085) 5.699 9.902 ( -3.599 0.000 -1.641) 3.956 10.044 ( -6.036 0.000 2.661) 6.596 10.087 ( -2.304 0.000 0.940) 2.488 10.142 ( -4.676 0.000 0.994) 4.780 10.258 ( 2.727 0.000 -7.787) 8.250 10.279 ( -0.900 0.000 3.349) 3.468 10.350 ( 1.243 0.000 -1.722) 2.124 10.600 ( -4.332 0.000 -0.338) 4.345 10.672 ( -3.563 0.000 -2.938) 4.618 10.841 ( -3.019 0.000 -3.472) 4.601 10.965 ( -4.542 0.000 1.216) 4.702 11.037 ( -1.738 0.000 -2.274) 2.862 11.085 ( 8.412 0.000 6.201) 10.451 11.432 ( 2.726 0.000 2.555) 3.736 11.433 ( 3.183 0.000 7.313) 7.976 11.595 ( 3.257 0.000 3.035) 4.452 11.630 ( 4.878 0.000 -2.876) 5.663 11.688 ( 5.063 0.000 -6.978) 8.621 11.787 ( 13.671 0.000 1.364) 13.739 11.852 ( 2.846 0.000 -7.335) 7.867 11.930 ( 5.200 0.000 2.558) 5.795 12.035 ( 4.541 0.000 -10.543) 11.479 12.149 ( 9.601 0.000 4.501) 10.603 12.311 ( 6.290 0.000 -7.279) 9.621 12.425 ( 14.546 0.000 9.040) 17.126 12.581 ( -4.980 0.000 -11.930) 12.928 12.691 ( 5.529 0.000 8.501) 10.141 12.863 ( 5.661 0.000 0.709) 5.705 12.910 ( 7.180 0.000 -5.193) 8.861 12.949 ( -4.058 0.000 1.033) 4.187 13.282 ( 9.542 0.000 -3.225) 10.072 13.451 ( -4.539 0.000 0.818) 4.612 13.648 ( 5.047 0.000 2.968) 5.855 13.781 ( 6.649 0.000 -3.778) 7.647 13.847 ( 14.315 0.000 -5.524) 15.343 14.305 ( -3.233 0.000 5.195) 6.119 14.376 ( -0.175 0.000 -0.671) 0.693 14.545 ( -7.062 0.000 9.949) 12.201 14.626 ( -6.228 0.000 -9.215) 11.122 14.816 ( -5.184 0.000 2.360) 5.696 15.005 ( 3.845 0.000 0.080) 3.846 15.422 ( -6.797 0.000 7.300) 9.975 15.546 ( -2.243 0.000 -4.315) 4.863 15.798 ( -7.662 0.000 -2.201) 7.972 15.826 ( -6.110 0.000 3.373) 6.979 15.845 ( -8.615 0.000 -2.864) 9.079 15.887 ( -6.074 0.000 0.598) 6.103 20.001 ( 4.815 0.000 0.196) 4.819 20.083 ( 2.528 0.000 0.553) 2.588 20.100 ( 7.199 0.000 2.823) 7.732 20.140 ( 4.830 0.000 -0.695) 4.880 20.901 ( 1.250 0.000 1.906) 2.280 20.922 ( 2.098 0.000 -1.041) 2.343 21.142 ( -1.119 0.000 2.321) 2.577 21.199 ( -1.818 0.000 -1.701) 2.490 21.271 ( 0.982 0.000 5.931) 6.011 21.347 ( 6.388 0.000 -4.225) 7.659 21.720 ( -2.543 0.000 -0.977) 2.724 21.726 ( -1.615 0.000 1.729) 2.366 21.846 ( 0.588 0.000 -2.015) 2.099 21.928 ( 5.471 0.000 1.900) 5.792 22.694 ( -4.674 0.000 -6.250) 7.805 22.778 ( 2.432 0.000 6.659) 7.089 22.805 ( -2.028 0.000 -3.083) 3.691 22.876 ( 1.500 0.000 0.694) 1.653 22.998 ( -3.634 0.000 -2.345) 4.325 23.005 ( -1.780 0.000 -0.658) 1.898 23.618 ( -8.186 0.000 10.404) 13.238 23.698 ( -4.013 0.000 -9.627) 10.430 24.552 ( -17.426 0.000 -8.329) 19.314 24.579 ( -19.022 0.000 6.988) 20.265 26.178 ( 1.713 0.000 0.608) 1.818 26.205 ( 4.606 0.000 -1.328) 4.794 26.228 ( 5.985 0.000 2.808) 6.610 26.254 ( 7.618 0.000 -2.386) 7.983 ======================= Grid point 72 (36/54) ======================= q-point: ( 0.29 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 17.037 0.000 -4.311) 17.574 1.372 ( 11.865 0.000 12.006) 16.880 1.784 ( 19.061 0.000 -18.706) 26.706 1.919 ( 17.066 0.000 17.422) 24.388 2.002 ( 3.065 0.000 -7.165) 7.792 2.100 ( 3.837 0.000 3.741) 5.359 2.168 ( 13.291 0.000 0.751) 13.312 2.282 ( -2.356 0.000 -0.653) 2.445 2.481 ( 10.529 0.000 -0.176) 10.531 2.515 ( 5.078 0.000 0.430) 5.097 2.586 ( -2.072 0.000 3.939) 4.451 2.634 ( 0.963 0.000 -0.410) 1.047 2.685 ( 5.079 0.000 -1.907) 5.425 2.738 ( -5.294 0.000 0.866) 5.364 2.803 ( -0.113 0.000 -2.835) 2.837 2.844 ( -6.475 0.000 -0.164) 6.477 2.861 ( 5.976 0.000 4.913) 7.736 2.955 ( 2.065 0.000 -4.793) 5.218 2.998 ( 3.060 0.000 5.957) 6.697 3.065 ( 1.536 0.000 5.283) 5.502 3.156 ( -4.768 0.000 -4.470) 6.536 3.180 ( 7.341 0.000 -4.576) 8.650 3.229 ( -3.741 0.000 -3.379) 5.041 3.249 ( -6.985 0.000 0.300) 6.992 3.375 ( 10.727 0.000 -15.666) 18.987 3.386 ( 0.668 0.000 4.573) 4.622 3.477 ( -2.220 0.000 -3.688) 4.304 3.486 ( 0.985 0.000 -1.905) 2.145 3.497 ( 0.907 0.000 2.586) 2.740 3.528 ( -1.309 0.000 1.516) 2.003 3.607 ( 12.429 0.000 14.523) 19.115 3.621 ( 8.545 0.000 -4.037) 9.450 3.852 ( 13.620 0.000 7.363) 15.483 3.992 ( -0.162 0.000 0.561) 0.584 4.070 ( -3.203 0.000 -3.694) 4.890 4.077 ( -0.572 0.000 1.459) 1.567 4.125 ( -1.882 0.000 -1.633) 2.492 4.300 ( 2.367 0.000 6.608) 7.019 4.375 ( -2.958 0.000 0.372) 2.981 4.477 ( -5.746 0.000 0.581) 5.775 4.489 ( 2.635 0.000 -0.509) 2.684 4.542 ( -2.055 0.000 2.834) 3.500 4.619 ( -3.278 0.000 -6.101) 6.926 4.621 ( -2.935 0.000 -3.417) 4.504 4.674 ( 3.747 0.000 2.662) 4.596 4.756 ( -3.005 0.000 -9.297) 9.770 4.797 ( 4.916 0.000 -4.739) 6.828 4.891 ( -14.640 0.000 3.890) 15.148 5.006 ( -4.322 0.000 0.674) 4.374 5.010 ( 3.659 0.000 5.363) 6.492 5.061 ( -12.366 0.000 -0.593) 12.380 5.136 ( 0.019 0.000 3.467) 3.467 5.197 ( -2.266 0.000 -2.195) 3.155 5.313 ( 2.601 0.000 -1.346) 2.929 5.322 ( 4.300 0.000 -1.080) 4.433 5.358 ( 8.569 0.000 -1.673) 8.730 5.381 ( -5.795 0.000 1.081) 5.895 5.530 ( 3.194 0.000 -1.628) 3.585 5.537 ( -2.698 0.000 4.723) 5.440 5.673 ( -2.150 0.000 0.827) 2.303 5.755 ( 1.559 0.000 5.929) 6.130 5.761 ( -3.490 0.000 0.380) 3.511 5.858 ( -3.057 0.000 -1.644) 3.471 5.926 ( 1.163 0.000 -3.377) 3.572 6.006 ( -8.775 0.000 -0.929) 8.824 6.171 ( -14.195 0.000 -3.803) 14.695 6.242 ( -8.411 0.000 2.556) 8.790 6.274 ( -11.034 0.000 -0.316) 11.038 6.488 ( -4.290 0.000 -3.774) 5.714 6.542 ( -5.563 0.000 0.328) 5.573 6.703 ( -3.522 0.000 1.597) 3.867 6.862 ( 3.177 0.000 -1.707) 3.607 6.917 ( -5.715 0.000 6.226) 8.451 6.941 ( 0.872 0.000 -6.422) 6.481 7.102 ( 3.572 0.000 3.273) 4.845 7.129 ( -0.142 0.000 5.906) 5.907 7.227 ( -4.129 0.000 -1.218) 4.305 7.328 ( 6.737 0.000 3.143) 7.434 7.384 ( 1.935 0.000 -6.790) 7.060 7.422 ( -1.786 0.000 6.029) 6.288 7.771 ( -1.148 0.000 -6.089) 6.197 7.798 ( -4.211 0.000 0.030) 4.211 7.833 ( -2.508 0.000 4.263) 4.946 7.892 ( -5.768 0.000 -4.627) 7.394 8.289 ( -1.579 0.000 -2.640) 3.076 8.323 ( -2.604 0.000 1.040) 2.804 8.456 ( 4.818 0.000 0.325) 4.829 8.570 ( 4.951 0.000 -3.297) 5.948 8.635 ( -1.760 0.000 -0.919) 1.985 8.645 ( 5.451 0.000 -3.350) 6.398 8.668 ( 1.188 0.000 4.901) 5.043 8.770 ( 4.774 0.000 7.464) 8.860 8.926 ( 0.462 0.000 3.618) 3.647 8.927 ( -0.851 0.000 4.450) 4.531 8.979 ( 5.589 0.000 1.255) 5.728 9.040 ( 5.073 0.000 -0.347) 5.085 9.169 ( 1.202 0.000 -5.356) 5.490 9.219 ( -1.204 0.000 0.265) 1.233 9.249 ( 1.799 0.000 -3.048) 3.540 9.313 ( -0.479 0.000 3.113) 3.150 9.377 ( 0.205 0.000 5.785) 5.789 9.414 ( 8.766 0.000 -3.906) 9.597 9.554 ( -0.215 0.000 13.111) 13.113 9.639 ( 3.085 0.000 0.786) 3.184 9.742 ( -1.629 0.000 -1.086) 1.958 9.857 ( 1.850 0.000 -3.548) 4.001 9.966 ( -4.242 0.000 2.713) 5.035 10.020 ( -7.606 0.000 0.006) 7.606 10.077 ( -2.208 0.000 3.966) 4.539 10.213 ( -2.958 0.000 -7.017) 7.615 10.325 ( -2.463 0.000 9.511) 9.825 10.329 ( 1.175 0.000 -7.982) 8.068 10.528 ( 0.735 0.000 -3.545) 3.620 10.562 ( -6.645 0.000 -2.389) 7.061 10.720 ( -4.852 0.000 -7.440) 8.882 10.944 ( -0.243 0.000 4.773) 4.780 10.995 ( -0.353 0.000 -2.359) 2.385 11.315 ( 7.796 0.000 13.031) 15.185 11.486 ( -0.654 0.000 7.982) 8.009 11.510 ( -1.338 0.000 11.192) 11.271 11.647 ( 0.428 0.000 -16.126) 16.132 11.686 ( 5.992 0.000 -3.580) 6.980 11.720 ( 7.742 0.000 -5.898) 9.733 11.972 ( 10.090 0.000 -1.578) 10.213 11.977 ( 3.417 0.000 0.418) 3.442 12.059 ( 4.821 0.000 -8.245) 9.551 12.075 ( 10.045 0.000 -1.049) 10.100 12.289 ( 0.002 0.000 1.440) 1.440 12.343 ( 3.316 0.000 -5.321) 6.270 12.451 ( 1.282 0.000 -6.230) 6.360 12.693 ( 7.726 0.000 4.416) 8.899 12.884 ( 8.876 0.000 5.642) 10.517 12.962 ( 5.500 0.000 3.231) 6.379 13.043 ( 9.154 0.000 -5.160) 10.508 13.058 ( 12.586 0.000 3.782) 13.142 13.373 ( 1.651 0.000 -4.767) 5.045 13.446 ( 8.724 0.000 -1.730) 8.894 13.778 ( 5.155 0.000 0.803) 5.217 13.842 ( 0.728 0.000 -0.044) 0.729 14.100 ( 16.504 0.000 -7.742) 18.230 14.261 ( -5.095 0.000 6.070) 7.924 14.294 ( -10.888 0.000 -5.235) 12.081 14.460 ( -2.650 0.000 -4.661) 5.361 14.467 ( -8.245 0.000 10.031) 12.985 14.770 ( -1.407 0.000 4.195) 4.425 15.087 ( 4.875 0.000 2.063) 5.294 15.337 ( -8.268 0.000 8.646) 11.963 15.415 ( -9.137 0.000 -4.801) 10.322 15.616 ( -9.954 0.000 -2.533) 10.271 15.671 ( -5.406 0.000 -4.565) 7.075 15.691 ( -9.877 0.000 2.496) 10.188 15.751 ( -8.277 0.000 0.294) 8.282 20.108 ( 6.147 0.000 -0.791) 6.198 20.134 ( 3.199 0.000 0.131) 3.202 20.245 ( 7.394 0.000 -1.885) 7.630 20.278 ( 5.957 0.000 7.499) 9.577 20.950 ( 2.820 0.000 1.666) 3.276 20.991 ( 5.741 0.000 1.474) 5.927 21.150 ( 0.473 0.000 1.684) 1.749 21.154 ( -2.021 0.000 -0.910) 2.216 21.332 ( 0.355 0.000 8.328) 8.335 21.410 ( 2.679 0.000 -5.219) 5.867 21.664 ( -2.193 0.000 -1.069) 2.440 21.697 ( -2.452 0.000 1.372) 2.810 21.907 ( 7.695 0.000 -0.549) 7.715 22.049 ( 6.964 0.000 -1.208) 7.068 22.551 ( -7.605 0.000 -3.940) 8.565 22.741 ( -11.262 0.000 -0.449) 11.271 22.770 ( -0.128 0.000 -0.246) 0.277 22.891 ( -2.212 0.000 -4.359) 4.888 22.941 ( 2.886 0.000 2.645) 3.915 22.954 ( -1.857 0.000 -3.356) 3.835 23.500 ( -11.041 0.000 10.096) 14.961 23.636 ( 4.967 0.000 -6.540) 8.212 24.119 ( -18.634 0.000 -16.497) 24.887 24.271 ( -20.402 0.000 10.228) 22.822 26.220 ( 2.315 0.000 0.857) 2.468 26.277 ( 4.157 0.000 -1.742) 4.508 26.352 ( 3.400 0.000 5.245) 6.251 26.361 ( 5.962 0.000 -3.479) 6.902 ======================= Grid point 73 (37/54) ======================= q-point: ( 0.43 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 14.096 0.000 5.219) 15.031 1.628 ( 10.372 0.000 2.373) 10.640 2.000 ( 8.118 0.000 -12.314) 14.749 2.069 ( 18.985 0.000 -9.449) 21.207 2.096 ( -14.702 0.000 3.981) 15.232 2.117 ( -2.439 0.000 7.739) 8.114 2.352 ( 6.736 0.000 10.505) 12.479 2.375 ( 6.627 0.000 -2.203) 6.984 2.489 ( -8.409 0.000 5.318) 9.949 2.521 ( 2.640 0.000 -0.226) 2.650 2.644 ( 4.253 0.000 -1.860) 4.642 2.677 ( 0.499 0.000 3.567) 3.602 2.679 ( 3.327 0.000 2.009) 3.886 2.767 ( 4.758 0.000 -2.657) 5.449 2.788 ( 0.662 0.000 -2.310) 2.403 2.856 ( 2.139 0.000 2.132) 3.020 2.882 ( -3.875 0.000 -2.533) 4.629 2.956 ( -4.634 0.000 -5.702) 7.347 3.027 ( -3.305 0.000 2.988) 4.456 3.060 ( -3.154 0.000 0.211) 3.161 3.088 ( 2.569 0.000 2.201) 3.383 3.173 ( 2.043 0.000 -2.934) 3.575 3.190 ( 0.080 0.000 3.183) 3.184 3.225 ( -2.888 0.000 0.818) 3.001 3.322 ( -2.559 0.000 -0.932) 2.724 3.371 ( -2.641 0.000 0.755) 2.747 3.464 ( 2.895 0.000 1.854) 3.438 3.545 ( 3.711 0.000 1.606) 4.044 3.692 ( 13.203 0.000 -6.680) 14.797 3.697 ( 10.269 0.000 -0.907) 10.309 3.739 ( 9.514 0.000 -3.792) 10.242 3.867 ( -4.903 0.000 4.334) 6.544 3.907 ( -4.925 0.000 1.451) 5.134 3.949 ( 7.098 0.000 0.961) 7.163 4.053 ( 3.377 0.000 -9.468) 10.052 4.069 ( -7.287 0.000 -0.790) 7.329 4.133 ( 3.407 0.000 -2.275) 4.097 4.186 ( -5.826 0.000 6.251) 8.545 4.262 ( -22.731 0.000 -3.260) 22.964 4.368 ( 2.077 0.000 -4.656) 5.098 4.510 ( -6.911 0.000 8.598) 11.031 4.532 ( 4.228 0.000 -2.587) 4.957 4.590 ( 3.860 0.000 -3.665) 5.323 4.631 ( -0.880 0.000 8.375) 8.421 4.646 ( 3.147 0.000 1.808) 3.630 4.768 ( 2.243 0.000 2.596) 3.431 4.778 ( 7.207 0.000 -0.980) 7.273 4.827 ( -5.521 0.000 0.949) 5.602 4.921 ( -2.452 0.000 -3.235) 4.059 4.989 ( 2.644 0.000 1.406) 2.995 5.023 ( 0.553 0.000 -0.824) 0.992 5.137 ( -14.064 0.000 0.975) 14.098 5.188 ( 2.522 0.000 0.603) 2.593 5.221 ( 0.776 0.000 1.559) 1.741 5.334 ( -1.024 0.000 -2.205) 2.432 5.353 ( 4.448 0.000 -5.061) 6.738 5.530 ( 1.658 0.000 1.769) 2.424 5.581 ( 1.333 0.000 1.292) 1.856 5.636 ( 12.661 0.000 3.587) 13.159 5.661 ( -2.565 0.000 -1.772) 3.117 5.753 ( 8.634 0.000 0.784) 8.669 5.806 ( 0.831 0.000 -0.020) 0.831 5.835 ( -4.739 0.000 0.950) 4.834 5.868 ( -12.972 0.000 -2.605) 13.231 5.930 ( -2.540 0.000 -1.476) 2.938 5.940 ( 2.552 0.000 2.521) 3.587 6.089 ( -9.044 0.000 1.874) 9.236 6.147 ( -1.322 0.000 -1.467) 1.975 6.339 ( -11.110 0.000 -2.450) 11.377 6.362 ( -6.109 0.000 -4.535) 7.608 6.721 ( 4.092 0.000 -0.334) 4.106 6.800 ( -6.937 0.000 2.579) 7.401 6.933 ( 1.501 0.000 -0.352) 1.541 6.943 ( 2.261 0.000 -3.896) 4.505 7.166 ( -0.128 0.000 5.149) 5.151 7.176 ( -0.072 0.000 3.468) 3.469 7.180 ( 2.133 0.000 2.953) 3.642 7.338 ( -2.902 0.000 -2.601) 3.897 7.433 ( -1.433 0.000 6.427) 6.585 7.466 ( 4.635 0.000 1.544) 4.886 7.703 ( -6.523 0.000 0.840) 6.577 7.728 ( 1.631 0.000 -6.755) 6.949 7.789 ( -0.426 0.000 -5.695) 5.711 7.803 ( -2.631 0.000 0.932) 2.791 8.258 ( 1.658 0.000 -4.389) 4.692 8.260 ( -3.797 0.000 0.302) 3.809 8.526 ( -0.676 0.000 6.524) 6.559 8.609 ( -0.771 0.000 0.606) 0.981 8.642 ( 5.210 0.000 -1.389) 5.392 8.694 ( -0.687 0.000 3.381) 3.450 8.733 ( 5.518 0.000 -5.938) 8.106 8.796 ( -1.100 0.000 -4.262) 4.402 8.956 ( 0.499 0.000 6.390) 6.410 9.013 ( 1.730 0.000 7.531) 7.728 9.073 ( 4.210 0.000 1.273) 4.398 9.085 ( 0.466 0.000 -0.079) 0.472 9.143 ( -0.991 0.000 -4.400) 4.510 9.194 ( -4.469 0.000 2.148) 4.958 9.220 ( -1.439 0.000 -3.082) 3.402 9.268 ( -1.632 0.000 -3.718) 4.061 9.446 ( 4.808 0.000 11.331) 12.309 9.577 ( 4.323 0.000 2.901) 5.206 9.680 ( 2.817 0.000 7.394) 7.913 9.739 ( 8.023 0.000 -2.321) 8.352 9.764 ( 3.764 0.000 0.178) 3.769 9.882 ( -3.406 0.000 -0.989) 3.546 9.897 ( -6.294 0.000 5.046) 8.067 9.928 ( 3.673 0.000 -1.988) 4.176 10.045 ( -4.028 0.000 4.115) 5.758 10.109 ( -2.157 0.000 -2.501) 3.303 10.252 ( -6.764 0.000 3.235) 7.498 10.299 ( -1.743 0.000 -5.491) 5.761 10.437 ( -0.005 0.000 -8.343) 8.343 10.475 ( -6.723 0.000 -3.959) 7.802 10.737 ( 8.680 0.000 1.596) 8.826 10.967 ( -2.110 0.000 -3.735) 4.289 11.008 ( 3.007 0.000 6.668) 7.314 11.375 ( -3.401 0.000 -10.115) 10.672 11.518 ( -3.170 0.000 11.114) 11.558 11.540 ( -3.511 0.000 12.513) 12.996 11.647 ( 4.646 0.000 6.928) 8.342 11.745 ( 4.462 0.000 -8.808) 9.874 11.800 ( 6.064 0.000 -10.276) 11.932 11.964 ( -0.532 0.000 -7.328) 7.347 12.082 ( 4.204 0.000 -4.390) 6.078 12.131 ( 7.116 0.000 -2.633) 7.587 12.156 ( -1.318 0.000 0.535) 1.422 12.209 ( -5.128 0.000 -3.871) 6.425 12.428 ( 7.141 0.000 1.553) 7.308 12.503 ( 1.172 0.000 1.835) 2.177 12.829 ( 7.129 0.000 0.674) 7.161 12.973 ( -4.712 0.000 -0.799) 4.780 13.086 ( 4.112 0.000 2.875) 5.018 13.138 ( 7.939 0.000 -4.382) 9.068 13.360 ( 15.644 0.000 6.409) 16.906 13.436 ( 5.064 0.000 1.009) 5.164 13.650 ( 14.035 0.000 -5.773) 15.176 13.711 ( -12.435 0.000 -3.823) 13.009 13.817 ( -3.062 0.000 3.034) 4.311 13.974 ( -13.818 0.000 -8.436) 16.190 14.236 ( -4.914 0.000 10.386) 11.490 14.323 ( 11.091 0.000 -7.256) 13.254 14.381 ( -6.203 0.000 5.917) 8.573 14.428 ( 1.575 0.000 -3.758) 4.075 14.839 ( 4.270 0.000 7.671) 8.780 15.143 ( -6.815 0.000 -3.651) 7.731 15.238 ( -8.090 0.000 8.652) 11.845 15.255 ( 2.547 0.000 0.737) 2.651 15.488 ( -0.255 0.000 -3.127) 3.137 15.548 ( -6.470 0.000 1.524) 6.647 15.595 ( -0.298 0.000 -3.812) 3.823 15.611 ( -6.393 0.000 -0.588) 6.420 20.185 ( 1.939 0.000 -0.026) 1.940 20.187 ( 2.610 0.000 -0.679) 2.697 20.359 ( -2.051 0.000 6.001) 6.342 20.373 ( 8.280 0.000 -3.586) 9.023 21.021 ( 3.737 0.000 1.264) 3.945 21.088 ( -1.256 0.000 0.792) 1.485 21.156 ( 4.354 0.000 3.650) 5.681 21.181 ( 1.741 0.000 1.765) 2.479 21.371 ( -2.455 0.000 7.306) 7.707 21.391 ( 0.685 0.000 -4.426) 4.479 21.643 ( 0.481 0.000 -0.390) 0.619 21.664 ( -1.960 0.000 1.309) 2.357 22.104 ( 12.818 0.000 0.460) 12.826 22.144 ( 4.722 0.000 -2.491) 5.339 22.365 ( -10.197 0.000 -2.553) 10.511 22.449 ( -15.173 0.000 -7.068) 16.739 22.801 ( 1.672 0.000 2.270) 2.819 22.822 ( -1.808 0.000 -2.412) 3.015 22.934 ( 3.311 0.000 -2.288) 4.025 23.024 ( 2.438 0.000 1.146) 2.694 23.382 ( -8.139 0.000 9.845) 12.774 23.678 ( -6.315 0.000 -11.944) 13.511 23.843 ( 10.101 0.000 -8.032) 12.906 23.978 ( -18.761 0.000 8.866) 20.751 26.262 ( 1.151 0.000 1.487) 1.881 26.316 ( 1.370 0.000 -2.484) 2.837 26.403 ( -1.013 0.000 4.237) 4.357 26.434 ( 4.512 0.000 -2.821) 5.321 ======================= Grid point 74 (38/54) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( -5.065 0.000 -2.235) 5.536 1.696 ( -20.687 0.000 -2.649) 20.856 1.805 ( 0.942 0.000 4.903) 4.993 1.931 ( -20.767 0.000 5.754) 21.550 2.178 ( 12.201 0.000 -3.380) 12.660 2.276 ( 1.700 0.000 -7.425) 7.617 2.284 ( -2.626 0.000 5.969) 6.521 2.459 ( 7.678 0.000 -1.810) 7.889 2.555 ( -5.537 0.000 -3.576) 6.591 2.607 ( 3.724 0.000 -1.203) 3.913 2.632 ( -6.521 0.000 -4.438) 7.888 2.668 ( -3.903 0.000 1.933) 4.355 2.743 ( 8.295 0.000 3.316) 8.934 2.769 ( -2.061 0.000 -4.452) 4.906 2.805 ( 1.373 0.000 -5.939) 6.096 2.832 ( 3.765 0.000 -1.480) 4.046 2.875 ( 0.601 0.000 3.781) 3.829 2.877 ( -2.918 0.000 -0.204) 2.925 2.996 ( -1.077 0.000 3.098) 3.280 3.016 ( -3.411 0.000 8.170) 8.853 3.089 ( -2.922 0.000 -0.786) 3.026 3.170 ( -2.486 0.000 2.286) 3.377 3.193 ( 0.783 0.000 -2.258) 2.390 3.235 ( 0.272 0.000 0.650) 0.705 3.341 ( 0.398 0.000 -2.072) 2.110 3.343 ( 2.714 0.000 2.368) 3.601 3.508 ( -12.672 0.000 7.797) 14.879 3.582 ( -15.408 0.000 2.919) 15.682 3.625 ( -3.247 0.000 -10.056) 10.567 3.656 ( 0.113 0.000 1.184) 1.189 3.694 ( -11.902 0.000 -2.074) 12.081 3.784 ( 3.124 0.000 5.808) 6.595 3.893 ( -1.179 0.000 6.273) 6.382 4.007 ( 9.980 0.000 -5.352) 11.325 4.022 ( 0.707 0.000 -1.542) 1.697 4.099 ( -0.858 0.000 -0.575) 1.033 4.113 ( 5.260 0.000 -4.742) 7.082 4.243 ( 12.381 0.000 -1.778) 12.508 4.249 ( 3.897 0.000 7.643) 8.579 4.335 ( -0.822 0.000 -9.560) 9.595 4.471 ( -2.734 0.000 4.863) 5.579 4.547 ( -9.131 0.000 6.559) 11.242 4.595 ( -1.385 0.000 -2.144) 2.552 4.636 ( 0.914 0.000 -0.752) 1.184 4.752 ( -1.159 0.000 8.109) 8.191 4.758 ( 13.033 0.000 -6.475) 14.553 4.798 ( -3.012 0.000 0.584) 3.068 4.837 ( -3.752 0.000 -3.969) 5.462 4.911 ( -3.314 0.000 -1.022) 3.468 4.985 ( 9.534 0.000 -0.147) 9.535 5.031 ( -2.330 0.000 -2.733) 3.591 5.144 ( 12.283 0.000 1.689) 12.398 5.207 ( -1.490 0.000 1.103) 1.854 5.289 ( 8.399 0.000 -1.366) 8.509 5.337 ( -3.898 0.000 -5.066) 6.392 5.341 ( 3.146 0.000 -6.888) 7.572 5.562 ( 0.604 0.000 3.037) 3.096 5.576 ( -3.074 0.000 -2.176) 3.767 5.629 ( -4.960 0.000 0.374) 4.974 5.680 ( -9.977 0.000 0.373) 9.984 5.729 ( 7.543 0.000 2.831) 8.057 5.753 ( -5.836 0.000 -0.202) 5.840 5.877 ( 6.346 0.000 -2.340) 6.764 5.890 ( -4.272 0.000 1.768) 4.623 5.917 ( 5.295 0.000 -3.100) 6.136 5.950 ( 2.888 0.000 2.629) 3.906 6.072 ( 3.956 0.000 5.116) 6.467 6.150 ( 3.739 0.000 -3.771) 5.311 6.294 ( 4.301 0.000 0.580) 4.340 6.297 ( 6.157 0.000 2.089) 6.502 6.700 ( -4.968 0.000 1.768) 5.273 6.809 ( 4.388 0.000 1.217) 4.554 6.926 ( -0.838 0.000 -2.496) 2.633 6.954 ( 1.042 0.000 -2.518) 2.725 7.175 ( -2.624 0.000 3.813) 4.628 7.207 ( -0.073 0.000 0.479) 0.484 7.254 ( -2.281 0.000 -3.776) 4.412 7.274 ( 5.542 0.000 6.255) 8.357 7.453 ( -1.144 0.000 5.344) 5.465 7.527 ( 2.675 0.000 -2.612) 3.739 7.589 ( -6.440 0.000 3.011) 7.109 7.754 ( 4.277 0.000 -2.940) 5.190 7.758 ( -1.889 0.000 -0.553) 1.968 7.796 ( 2.960 0.000 -2.375) 3.795 8.214 ( -1.137 0.000 0.471) 1.230 8.292 ( 4.503 0.000 -3.468) 5.684 8.518 ( -3.846 0.000 6.887) 7.888 8.595 ( -2.493 0.000 0.937) 2.663 8.687 ( -2.529 0.000 0.738) 2.635 8.725 ( 1.028 0.000 0.083) 1.031 8.737 ( -0.576 0.000 -7.580) 7.602 8.762 ( 5.916 0.000 -4.639) 7.518 9.013 ( -0.931 0.000 6.232) 6.301 9.026 ( -4.599 0.000 1.901) 4.977 9.067 ( -1.212 0.000 1.402) 1.853 9.093 ( 1.246 0.000 0.214) 1.264 9.153 ( -2.862 0.000 -5.067) 5.820 9.159 ( 2.997 0.000 1.576) 3.386 9.196 ( 2.268 0.000 3.820) 4.443 9.243 ( 1.206 0.000 -3.359) 3.569 9.588 ( -3.335 0.000 -2.014) 3.896 9.593 ( -0.368 0.000 3.385) 3.405 9.621 ( -8.660 0.000 8.103) 11.860 9.750 ( -5.991 0.000 1.546) 6.187 9.815 ( 1.234 0.000 -6.719) 6.831 9.852 ( -2.045 0.000 2.164) 2.977 9.896 ( 5.562 0.000 2.018) 5.917 9.988 ( -5.662 0.000 7.478) 9.380 10.010 ( 3.986 0.000 -4.846) 6.275 10.099 ( 0.664 0.000 -1.712) 1.836 10.205 ( -0.697 0.000 3.017) 3.096 10.278 ( 7.218 0.000 -0.785) 7.260 10.400 ( 3.965 0.000 -1.533) 4.251 10.485 ( 7.786 0.000 -4.844) 9.170 10.828 ( -9.511 0.000 -6.877) 11.737 10.883 ( 3.833 0.000 4.510) 5.919 11.127 ( 3.603 0.000 9.821) 10.461 11.205 ( -4.340 0.000 -13.996) 14.653 11.541 ( -2.600 0.000 11.475) 11.766 11.551 ( -4.762 0.000 13.422) 14.241 11.717 ( -0.954 0.000 -9.134) 9.184 11.778 ( 2.366 0.000 5.981) 6.432 11.810 ( 5.404 0.000 -8.479) 10.055 11.893 ( -2.115 0.000 -13.795) 13.956 12.069 ( -5.837 0.000 0.242) 5.842 12.089 ( -5.927 0.000 -0.602) 5.958 12.144 ( 2.268 0.000 -0.342) 2.293 12.211 ( 3.580 0.000 -2.288) 4.248 12.457 ( -6.201 0.000 -0.923) 6.270 12.528 ( 0.238 0.000 -0.677) 0.718 12.832 ( -6.560 0.000 -1.275) 6.683 12.961 ( 4.837 0.000 2.482) 5.437 13.090 ( -4.345 0.000 -0.609) 4.387 13.163 ( -2.614 0.000 -3.902) 4.697 13.420 ( -16.728 0.000 4.525) 17.329 13.486 ( -9.197 0.000 -5.163) 10.547 13.577 ( -2.011 0.000 -0.040) 2.011 13.598 ( -1.874 0.000 2.406) 3.049 13.840 ( 10.872 0.000 4.522) 11.775 13.988 ( 14.027 0.000 -10.656) 17.615 14.149 ( -12.038 0.000 10.119) 15.726 14.361 ( 0.133 0.000 3.986) 3.988 14.378 ( 1.321 0.000 -4.362) 4.558 14.506 ( 9.079 0.000 -7.727) 11.922 14.964 ( -6.312 0.000 -5.173) 8.161 14.997 ( 5.447 0.000 11.652) 12.862 15.192 ( -2.850 0.000 7.724) 8.233 15.365 ( 8.192 0.000 -4.012) 9.122 15.476 ( -0.618 0.000 -1.517) 1.638 15.554 ( 0.871 0.000 0.252) 0.906 15.570 ( 8.362 0.000 0.156) 8.363 15.613 ( 4.794 0.000 -2.165) 5.260 20.188 ( -1.774 0.000 -0.505) 1.845 20.191 ( -1.325 0.000 -0.816) 1.556 20.305 ( -6.240 0.000 3.502) 7.156 20.478 ( 6.112 0.000 -6.176) 8.689 21.035 ( -3.542 0.000 -0.295) 3.555 21.088 ( 2.723 0.000 0.552) 2.778 21.201 ( -0.754 0.000 0.103) 0.761 21.223 ( 0.477 0.000 -0.473) 0.672 21.319 ( -5.948 0.000 2.549) 6.471 21.434 ( 4.255 0.000 -1.034) 4.379 21.641 ( -1.008 0.000 0.134) 1.017 21.671 ( 2.226 0.000 0.397) 2.261 22.104 ( -11.409 0.000 1.332) 11.487 22.155 ( -11.519 0.000 -1.744) 11.651 22.299 ( 7.578 0.000 4.642) 8.886 22.346 ( 11.589 0.000 -1.685) 11.711 22.807 ( 1.217 0.000 -0.191) 1.232 22.827 ( 1.770 0.000 -1.790) 2.517 22.991 ( -4.332 0.000 -4.597) 6.316 23.018 ( 2.386 0.000 0.861) 2.537 23.401 ( 4.010 0.000 15.027) 15.553 23.559 ( 4.321 0.000 -9.114) 10.086 23.713 ( -15.787 0.000 7.083) 17.303 24.100 ( 18.261 0.000 -4.517) 18.811 26.273 ( -1.266 0.000 1.954) 2.328 26.296 ( -1.641 0.000 -2.120) 2.681 26.380 ( -3.802 0.000 2.873) 4.765 26.483 ( 2.956 0.000 -3.916) 4.906 ======================= Grid point 75 (39/54) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -28.916 0.000 2.847) 29.056 1.438 ( -22.701 0.000 12.889) 26.105 1.643 ( -7.415 0.000 -12.035) 14.136 1.900 ( 4.247 0.000 2.003) 4.695 2.120 ( -15.979 0.000 -4.214) 16.526 2.205 ( -9.553 0.000 -1.578) 9.683 2.300 ( 2.133 0.000 1.337) 2.518 2.313 ( -11.545 0.000 -14.973) 18.907 2.473 ( -1.597 0.000 -0.329) 1.630 2.488 ( -8.268 0.000 -0.883) 8.315 2.588 ( -4.715 0.000 2.176) 5.193 2.638 ( -6.191 0.000 1.076) 6.283 2.733 ( -2.137 0.000 -4.031) 4.562 2.762 ( -5.438 0.000 2.337) 5.919 2.766 ( -3.147 0.000 0.020) 3.147 2.821 ( 7.965 0.000 0.467) 7.979 2.873 ( -1.976 0.000 2.808) 3.433 2.923 ( -1.734 0.000 -1.005) 2.004 2.969 ( -4.101 0.000 7.921) 8.920 3.067 ( 5.181 0.000 2.885) 5.930 3.079 ( -6.628 0.000 -2.428) 7.059 3.125 ( -1.784 0.000 -0.296) 1.808 3.142 ( 2.808 0.000 4.855) 5.609 3.270 ( -5.433 0.000 -1.495) 5.635 3.273 ( 7.822 0.000 0.175) 7.824 3.392 ( 1.637 0.000 4.791) 5.063 3.410 ( -0.604 0.000 4.144) 4.188 3.469 ( -2.832 0.000 5.708) 6.372 3.530 ( 1.178 0.000 -9.990) 10.059 3.564 ( -5.650 0.000 -4.051) 6.952 3.639 ( 2.035 0.000 -3.579) 4.117 3.829 ( -8.513 0.000 -5.165) 9.957 3.915 ( -1.457 0.000 8.668) 8.789 3.972 ( 1.902 0.000 0.284) 1.923 3.998 ( -15.232 0.000 -6.179) 16.438 4.082 ( 0.344 0.000 0.917) 0.980 4.181 ( 6.066 0.000 -6.621) 8.980 4.314 ( 6.928 0.000 5.190) 8.657 4.364 ( 6.255 0.000 3.445) 7.141 4.442 ( 2.676 0.000 4.539) 5.269 4.465 ( -0.738 0.000 1.194) 1.403 4.575 ( 2.038 0.000 4.026) 4.513 4.594 ( 4.535 0.000 -4.889) 6.668 4.614 ( 1.679 0.000 0.005) 1.679 4.677 ( -1.473 0.000 -6.790) 6.948 4.711 ( -4.367 0.000 4.396) 6.196 4.741 ( -4.490 0.000 -4.774) 6.554 4.934 ( 7.153 0.000 1.033) 7.227 5.024 ( 4.298 0.000 -1.287) 4.487 5.087 ( 14.118 0.000 -2.885) 14.410 5.103 ( 3.497 0.000 -1.640) 3.863 5.182 ( -1.118 0.000 0.287) 1.154 5.186 ( -4.078 0.000 -1.406) 4.313 5.310 ( -8.619 0.000 -1.497) 8.748 5.328 ( -8.077 0.000 -2.094) 8.344 5.371 ( 9.423 0.000 1.618) 9.561 5.381 ( -1.035 0.000 -8.126) 8.192 5.579 ( -2.345 0.000 -5.553) 6.028 5.591 ( -0.353 0.000 -0.164) 0.389 5.677 ( 5.853 0.000 0.120) 5.855 5.741 ( 7.731 0.000 3.185) 8.362 5.820 ( 2.895 0.000 5.213) 5.963 5.860 ( -3.238 0.000 -2.071) 3.843 5.889 ( -0.359 0.000 -4.286) 4.301 5.991 ( 4.488 0.000 -0.800) 4.558 6.083 ( 13.879 0.000 3.567) 14.330 6.240 ( 9.135 0.000 2.774) 9.547 6.260 ( 7.721 0.000 1.402) 7.847 6.437 ( 6.008 0.000 1.684) 6.240 6.491 ( 7.610 0.000 6.092) 9.748 6.692 ( 4.927 0.000 3.828) 6.239 6.842 ( -2.802 0.000 1.242) 3.065 6.883 ( -1.558 0.000 -3.264) 3.617 6.969 ( 2.922 0.000 -0.771) 3.022 7.120 ( -4.633 0.000 1.843) 4.986 7.183 ( -1.724 0.000 -0.861) 1.927 7.248 ( 2.806 0.000 -1.545) 3.204 7.370 ( -2.803 0.000 -1.831) 3.348 7.387 ( -3.396 0.000 -2.519) 4.228 7.534 ( 1.232 0.000 -5.750) 5.881 7.591 ( 0.660 0.000 11.824) 11.842 7.787 ( 5.394 0.000 5.799) 7.920 7.811 ( 2.830 0.000 -1.864) 3.389 7.843 ( 2.420 0.000 1.485) 2.839 8.237 ( 2.991 0.000 1.494) 3.343 8.344 ( 1.461 0.000 -1.172) 1.873 8.505 ( -1.760 0.000 3.145) 3.604 8.505 ( -6.497 0.000 -2.564) 6.985 8.626 ( -1.817 0.000 -1.127) 2.138 8.691 ( 1.092 0.000 -5.976) 6.075 8.706 ( -2.446 0.000 0.481) 2.493 8.843 ( 1.628 0.000 -2.928) 3.350 8.943 ( -6.411 0.000 2.666) 6.943 9.009 ( -1.470 0.000 0.931) 1.740 9.053 ( -2.968 0.000 -5.938) 6.638 9.076 ( 1.060 0.000 -1.951) 2.220 9.096 ( -1.500 0.000 0.269) 1.524 9.200 ( -0.053 0.000 2.373) 2.374 9.242 ( -0.381 0.000 -1.868) 1.907 9.284 ( 1.979 0.000 5.014) 5.391 9.386 ( -11.672 0.000 0.164) 11.673 9.462 ( -6.758 0.000 -4.970) 8.389 9.625 ( -3.520 0.000 2.634) 4.397 9.689 ( -1.695 0.000 4.333) 4.653 9.773 ( -4.484 0.000 4.696) 6.493 9.800 ( 4.934 0.000 -10.919) 11.982 9.968 ( 0.063 0.000 5.753) 5.753 10.004 ( -0.087 0.000 1.877) 1.879 10.038 ( 5.169 0.000 3.850) 6.445 10.159 ( 5.476 0.000 -4.625) 7.168 10.251 ( 3.504 0.000 2.641) 4.387 10.459 ( 10.735 0.000 -1.323) 10.817 10.551 ( 9.076 0.000 0.103) 9.077 10.558 ( -12.705 0.000 -5.359) 13.789 10.627 ( 8.731 0.000 -3.035) 9.243 10.949 ( 2.206 0.000 2.717) 3.500 11.083 ( -0.013 0.000 -10.235) 10.235 11.246 ( 0.339 0.000 13.737) 13.741 11.523 ( -9.475 0.000 10.738) 14.320 11.547 ( -4.031 0.000 6.298) 7.478 11.581 ( -7.715 0.000 -6.551) 10.121 11.700 ( -6.207 0.000 -9.539) 11.381 11.776 ( 2.814 0.000 -10.200) 10.581 11.936 ( 4.396 0.000 4.529) 6.312 11.955 ( -8.869 0.000 0.327) 8.875 12.017 ( -1.124 0.000 -2.763) 2.983 12.079 ( -8.629 0.000 -1.863) 8.828 12.245 ( 0.314 0.000 3.223) 3.239 12.306 ( -8.027 0.000 -0.800) 8.067 12.403 ( -10.516 0.000 -0.503) 10.528 12.757 ( -2.154 0.000 -3.533) 4.138 12.917 ( -10.933 0.000 6.956) 12.958 13.027 ( -1.992 0.000 -8.641) 8.867 13.057 ( -5.701 0.000 -4.473) 7.246 13.198 ( -10.231 0.000 -10.676) 14.787 13.255 ( -2.957 0.000 6.751) 7.370 13.444 ( -7.160 0.000 -0.869) 7.213 13.640 ( -2.505 0.000 7.850) 8.240 13.958 ( -14.542 0.000 7.372) 16.303 14.042 ( -1.329 0.000 -14.939) 14.998 14.150 ( 14.280 0.000 8.489) 16.613 14.362 ( 1.323 0.000 -4.549) 4.738 14.393 ( -0.266 0.000 3.415) 3.425 14.623 ( 8.623 0.000 -6.634) 10.880 14.868 ( -0.306 0.000 -5.498) 5.507 15.083 ( -4.725 0.000 4.333) 6.411 15.267 ( 6.627 0.000 10.798) 12.669 15.477 ( 7.079 0.000 -5.968) 9.259 15.567 ( 9.030 0.000 2.568) 9.388 15.633 ( 7.938 0.000 -1.233) 8.033 15.729 ( 9.901 0.000 -1.510) 10.016 15.747 ( 8.659 0.000 0.648) 8.683 20.115 ( -5.199 0.000 -1.019) 5.298 20.143 ( -2.930 0.000 -0.875) 3.058 20.208 ( -5.962 0.000 2.023) 6.296 20.473 ( -1.809 0.000 -12.679) 12.808 20.972 ( -2.755 0.000 -0.718) 2.847 21.058 ( -9.942 0.000 -6.782) 12.035 21.140 ( 1.088 0.000 0.540) 1.214 21.184 ( 0.037 0.000 -1.786) 1.787 21.294 ( -3.063 0.000 6.844) 7.498 21.451 ( -1.087 0.000 -3.918) 4.066 21.645 ( 1.389 0.000 0.698) 1.554 21.714 ( 2.189 0.000 -0.111) 2.191 21.913 ( -8.078 0.000 -1.100) 8.152 22.003 ( -5.701 0.000 2.546) 6.243 22.500 ( 5.518 0.000 0.940) 5.598 22.595 ( 15.811 0.000 15.951) 22.459 22.809 ( -1.677 0.000 -3.219) 3.629 22.857 ( 2.558 0.000 -1.485) 2.958 22.943 ( 4.273 0.000 -1.676) 4.590 22.996 ( -2.582 0.000 -2.345) 3.488 23.511 ( -9.982 0.000 6.728) 12.037 23.657 ( 10.054 0.000 -6.740) 12.104 23.731 ( 16.681 0.000 23.540) 28.851 24.404 ( 17.883 0.000 -4.582) 18.461 26.241 ( -2.885 0.000 -1.314) 3.170 26.241 ( -3.481 0.000 1.813) 3.925 26.312 ( -5.198 0.000 2.060) 5.591 26.471 ( -1.224 0.000 -7.005) 7.112 ======================= Grid point 76 (40/54) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -10.378 0.000 18.023) 20.797 1.165 ( -18.181 0.000 25.271) 31.131 1.491 ( 2.561 0.000 -18.782) 18.956 1.631 ( -34.915 0.000 13.486) 37.428 1.908 ( -5.114 0.000 -14.612) 15.481 1.916 ( -17.507 0.000 -9.436) 19.888 2.068 ( 0.853 0.000 -7.126) 7.177 2.297 ( -3.161 0.000 -4.533) 5.526 2.435 ( -1.225 0.000 3.592) 3.795 2.436 ( 3.233 0.000 -4.424) 5.479 2.561 ( -1.672 0.000 3.558) 3.932 2.606 ( 0.443 0.000 3.879) 3.904 2.685 ( -4.323 0.000 11.181) 11.988 2.708 ( 1.972 0.000 -1.300) 2.362 2.741 ( -3.108 0.000 -0.299) 3.122 2.795 ( -4.700 0.000 -0.125) 4.702 2.894 ( -0.477 0.000 1.419) 1.497 2.908 ( 0.824 0.000 -0.645) 1.047 2.979 ( 2.105 0.000 -1.924) 2.852 3.037 ( -3.660 0.000 -1.206) 3.854 3.042 ( 2.690 0.000 3.064) 4.078 3.097 ( -7.612 0.000 1.334) 7.728 3.162 ( -0.449 0.000 2.882) 2.916 3.289 ( 2.115 0.000 2.353) 3.164 3.351 ( -3.111 0.000 4.168) 5.201 3.355 ( 1.288 0.000 -1.500) 1.977 3.445 ( -1.382 0.000 -8.351) 8.465 3.510 ( -0.605 0.000 4.324) 4.366 3.538 ( 4.211 0.000 -6.050) 7.371 3.561 ( 7.888 0.000 4.753) 9.210 3.619 ( -3.715 0.000 -8.583) 9.353 3.714 ( -7.935 0.000 -5.592) 9.708 3.747 ( 11.741 0.000 -5.415) 12.929 3.891 ( -5.664 0.000 3.087) 6.451 4.025 ( 1.644 0.000 2.607) 3.082 4.116 ( -4.154 0.000 1.557) 4.436 4.130 ( 0.720 0.000 -5.112) 5.162 4.231 ( -11.639 0.000 -2.249) 11.854 4.423 ( -4.919 0.000 5.230) 7.180 4.471 ( -0.841 0.000 -4.728) 4.802 4.475 ( 2.917 0.000 -0.478) 2.956 4.590 ( -1.087 0.000 1.847) 2.143 4.614 ( -3.101 0.000 -3.059) 4.356 4.669 ( 1.872 0.000 8.419) 8.624 4.700 ( 3.342 0.000 0.690) 3.413 4.758 ( 8.623 0.000 -0.555) 8.641 4.808 ( 9.479 0.000 -3.139) 9.986 4.989 ( -6.491 0.000 -7.487) 9.909 5.002 ( -3.513 0.000 -1.039) 3.664 5.071 ( -4.096 0.000 -3.578) 5.439 5.108 ( -0.015 0.000 -4.799) 4.799 5.160 ( -4.649 0.000 2.435) 5.248 5.219 ( 6.553 0.000 4.180) 7.773 5.245 ( 4.666 0.000 2.103) 5.118 5.289 ( 5.644 0.000 8.049) 9.831 5.393 ( -1.122 0.000 -2.157) 2.431 5.466 ( 1.451 0.000 -0.004) 1.451 5.599 ( -1.443 0.000 0.290) 1.472 5.614 ( 11.898 0.000 -6.758) 13.683 5.717 ( 0.102 0.000 0.485) 0.496 5.781 ( -1.899 0.000 -4.941) 5.293 5.884 ( 4.982 0.000 -5.090) 7.122 5.927 ( 4.602 0.000 2.731) 5.351 5.949 ( 6.461 0.000 -0.919) 6.526 6.136 ( 10.568 0.000 5.955) 12.131 6.310 ( 5.873 0.000 4.946) 7.679 6.416 ( 8.818 0.000 0.565) 8.836 6.426 ( 8.327 0.000 3.683) 9.105 6.523 ( 2.818 0.000 1.094) 3.023 6.560 ( 0.428 0.000 0.618) 0.752 6.768 ( -4.730 0.000 1.363) 4.922 6.838 ( -1.022 0.000 -1.770) 2.044 6.877 ( 6.694 0.000 3.356) 7.488 7.014 ( -2.026 0.000 0.603) 2.113 7.063 ( 1.031 0.000 1.290) 1.652 7.159 ( -4.565 0.000 0.230) 4.570 7.226 ( -1.796 0.000 2.617) 3.174 7.283 ( 0.866 0.000 -2.014) 2.192 7.321 ( -2.945 0.000 -6.829) 7.437 7.504 ( -0.982 0.000 -4.006) 4.124 7.685 ( 1.021 0.000 11.004) 11.051 7.842 ( 2.592 0.000 -0.674) 2.678 7.889 ( 1.204 0.000 0.735) 1.411 8.002 ( 11.114 0.000 3.083) 11.534 8.305 ( -2.730 0.000 2.824) 3.928 8.320 ( -2.391 0.000 -0.026) 2.391 8.366 ( -0.187 0.000 -5.249) 5.252 8.449 ( -4.683 0.000 -0.877) 4.764 8.644 ( 2.368 0.000 -2.104) 3.168 8.657 ( -2.357 0.000 0.069) 2.358 8.692 ( -0.909 0.000 -0.683) 1.137 8.733 ( -8.167 0.000 -5.386) 9.783 8.824 ( -6.448 0.000 1.945) 6.735 8.895 ( -7.648 0.000 -6.362) 9.948 8.980 ( -1.698 0.000 -2.357) 2.905 9.074 ( -1.799 0.000 -6.048) 6.310 9.107 ( -3.249 0.000 1.232) 3.475 9.123 ( 2.013 0.000 3.505) 4.042 9.253 ( 2.046 0.000 0.258) 2.063 9.266 ( -1.241 0.000 1.776) 2.167 9.320 ( -4.625 0.000 -1.700) 4.927 9.369 ( 1.291 0.000 3.429) 3.664 9.556 ( -5.141 0.000 1.298) 5.302 9.772 ( 6.570 0.000 1.990) 6.865 9.805 ( 2.697 0.000 7.030) 7.530 9.819 ( 1.583 0.000 -9.223) 9.358 10.032 ( 2.202 0.000 6.466) 6.831 10.039 ( 1.822 0.000 3.731) 4.152 10.143 ( 4.179 0.000 1.625) 4.483 10.205 ( 4.437 0.000 -5.934) 7.409 10.323 ( 1.466 0.000 1.911) 2.408 10.342 ( -4.614 0.000 -2.388) 5.195 10.622 ( 7.923 0.000 -2.252) 8.237 10.644 ( 1.843 0.000 -1.100) 2.146 10.790 ( 8.801 0.000 0.237) 8.805 11.023 ( 2.729 0.000 -0.432) 2.763 11.053 ( 2.014 0.000 -7.098) 7.378 11.184 ( -12.261 0.000 -2.304) 12.475 11.370 ( -8.535 0.000 12.537) 15.167 11.469 ( -6.230 0.000 1.282) 6.361 11.516 ( -0.799 0.000 5.250) 5.310 11.590 ( -2.341 0.000 0.771) 2.465 11.717 ( -4.682 0.000 -6.232) 7.795 11.790 ( -7.548 0.000 -0.304) 7.554 11.843 ( -12.642 0.000 -6.133) 14.051 11.980 ( 0.073 0.000 -3.426) 3.427 11.988 ( 2.584 0.000 -2.783) 3.798 12.189 ( -11.363 0.000 -0.739) 11.387 12.200 ( -5.073 0.000 4.432) 6.736 12.324 ( -1.285 0.000 12.307) 12.374 12.616 ( -8.627 0.000 -8.645) 12.213 12.760 ( -8.392 0.000 4.364) 9.459 12.913 ( -4.123 0.000 -3.154) 5.191 12.921 ( -1.927 0.000 -10.222) 10.402 13.050 ( 1.264 0.000 -10.523) 10.599 13.231 ( -7.088 0.000 2.490) 7.513 13.439 ( 7.056 0.000 2.315) 7.426 13.598 ( -6.632 0.000 6.293) 9.142 13.752 ( -11.327 0.000 4.625) 12.235 13.814 ( -9.518 0.000 -7.210) 11.940 14.363 ( -0.502 0.000 1.293) 1.387 14.382 ( 2.392 0.000 -3.096) 3.912 14.434 ( 5.657 0.000 10.542) 11.963 14.709 ( 5.451 0.000 -6.871) 8.770 14.875 ( 3.764 0.000 -3.706) 5.282 14.996 ( -5.471 0.000 1.580) 5.695 15.441 ( 3.749 0.000 6.916) 7.867 15.544 ( 4.666 0.000 -5.603) 7.292 15.744 ( 7.284 0.000 3.963) 8.293 15.812 ( 10.131 0.000 -0.137) 10.132 15.873 ( 5.503 0.000 -1.464) 5.695 15.895 ( 6.962 0.000 -0.389) 6.973 20.019 ( -3.601 0.000 -1.348) 3.845 20.092 ( -1.693 0.000 -0.677) 1.823 20.124 ( -4.200 0.000 1.022) 4.322 20.216 ( -14.482 0.000 -11.008) 18.191 20.900 ( -4.110 0.000 0.982) 4.226 20.930 ( -1.224 0.000 -1.093) 1.641 21.170 ( 0.966 0.000 1.341) 1.652 21.186 ( 1.852 0.000 -2.489) 3.103 21.250 ( -5.595 0.000 5.954) 8.170 21.373 ( -3.382 0.000 -4.465) 5.602 21.690 ( 2.047 0.000 1.822) 2.740 21.747 ( 1.471 0.000 -0.296) 1.501 21.822 ( -1.755 0.000 0.428) 1.807 21.939 ( -3.526 0.000 0.802) 3.616 22.587 ( 3.068 0.000 4.257) 5.247 22.780 ( 0.721 0.000 -0.413) 0.831 22.879 ( 1.439 0.000 -2.885) 3.224 22.888 ( 0.777 0.000 -0.010) 0.777 22.971 ( 5.043 0.000 0.192) 5.046 23.029 ( 4.638 0.000 -2.487) 5.263 23.491 ( 2.071 0.000 12.201) 12.375 23.782 ( 7.555 0.000 -7.067) 10.345 24.305 ( 28.740 0.000 20.019) 35.025 24.664 ( 12.510 0.000 -2.875) 12.836 26.181 ( -3.883 0.000 1.070) 4.028 26.188 ( -1.854 0.000 -0.606) 1.951 26.228 ( -4.610 0.000 0.939) 4.705 26.320 ( -9.843 0.000 -7.594) 12.432 ======================= Grid point 77 (41/54) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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| 0.969 ( 0.785 -3.876 21.192) 21.558 1.184 ( -2.048 12.216 18.757) 22.478 1.356 ( -3.558 -6.852 -15.670) 17.468 1.582 ( 4.384 6.293 -19.024) 20.512 1.748 ( 1.563 27.909 10.865) 29.990 1.923 ( -2.860 5.126 -9.400) 11.082 2.063 ( 2.777 5.016 -0.850) 5.796 2.161 ( -0.998 -2.910 -10.592) 11.030 2.347 ( -1.391 -3.440 6.453) 7.444 2.452 ( 0.723 -1.718 -5.835) 6.125 2.467 ( 2.264 -11.460 4.873) 12.658 2.540 ( -0.800 -9.680 -3.028) 10.174 2.699 ( 1.401 0.790 8.114) 8.272 2.731 ( 0.180 6.581 0.995) 6.658 2.783 ( -1.356 1.165 2.398) 2.991 2.815 ( 0.769 1.021 -0.001) 1.278 2.901 ( -0.427 0.510 4.842) 4.887 2.958 ( 1.712 0.929 0.185) 1.957 3.004 ( -2.960 1.829 3.227) 4.745 3.039 ( -1.734 3.687 1.409) 4.311 3.085 ( 0.346 4.142 -0.771) 4.228 3.126 ( 2.931 -1.562 0.536) 3.364 3.172 ( 0.750 3.965 3.082) 5.078 3.249 ( -2.422 -0.452 4.017) 4.713 3.309 ( 1.475 -3.227 -4.615) 5.821 3.377 ( -2.315 1.133 0.498) 2.625 3.412 ( 2.948 0.154 -6.490) 7.130 3.488 ( -0.252 5.649 -8.920) 10.561 3.570 ( -2.205 5.484 -2.397) 6.378 3.594 ( 1.811 4.064 -2.948) 5.337 3.714 ( -4.192 1.150 1.807) 4.707 3.772 ( 4.873 3.012 -2.874) 6.409 3.810 ( -0.129 1.303 5.968) 6.110 3.914 ( 1.669 -3.506 1.642) 4.216 3.929 ( -3.096 -3.197 -3.537) 5.685 3.953 ( -3.514 -2.917 -2.985) 5.456 4.047 ( 1.776 -2.580 3.209) 4.484 4.114 ( 1.609 -3.004 -3.943) 5.211 4.280 ( -3.115 -7.291 11.077) 13.623 4.473 ( 3.727 0.157 -5.484) 6.633 4.507 ( 1.182 0.843 0.065) 1.453 4.549 ( -1.821 -1.096 -3.108) 3.765 4.643 ( -0.906 -2.141 6.382) 6.792 4.707 ( 1.214 0.946 0.936) 1.801 4.760 ( 2.245 0.636 3.848) 4.500 4.822 ( -5.420 -3.359 -1.546) 6.561 4.834 ( 6.113 -5.024 -1.509) 8.055 4.897 ( -1.872 -1.429 -4.309) 4.911 4.998 ( -0.274 4.272 -1.597) 4.569 5.029 ( 1.751 -0.237 2.327) 2.922 5.045 ( -3.090 3.124 -5.308) 6.891 5.106 ( -1.424 -0.305 -4.934) 5.144 5.294 ( 3.997 -1.761 2.530) 5.048 5.319 ( -3.416 -3.948 0.316) 5.230 5.338 ( 2.073 -5.302 6.407) 8.571 5.421 ( -1.872 0.023 -3.084) 3.608 5.498 ( 2.258 1.956 -0.636) 3.055 5.559 ( 2.196 -2.900 -6.738) 7.657 5.579 ( -2.780 -2.831 2.778) 4.844 5.680 ( -0.859 -1.141 -4.103) 4.344 5.823 ( 3.677 1.509 4.538) 6.033 5.886 ( -4.201 -4.443 -0.241) 6.119 6.016 ( 1.038 5.070 -0.030) 5.175 6.028 ( -1.098 2.474 -0.609) 2.774 6.234 ( 3.507 -6.604 4.388) 8.670 6.286 ( -2.349 -5.768 -1.023) 6.311 6.431 ( -2.840 -3.310 1.711) 4.685 6.453 ( 1.976 -2.894 -0.835) 3.602 6.605 ( 0.452 5.647 -0.197) 5.669 6.624 ( -0.577 5.782 -1.898) 6.113 6.835 ( -2.756 5.171 4.916) 7.649 6.909 ( 4.171 2.604 -2.544) 5.536 6.960 ( 1.218 0.079 6.730) 6.840 7.048 ( -5.292 0.946 -0.624) 5.412 7.119 ( -2.138 7.411 3.924) 8.654 7.203 ( -1.506 3.433 3.815) 5.348 7.221 ( 3.409 5.461 -6.765) 9.339 7.267 ( 0.395 1.378 0.364) 1.479 7.364 ( 4.876 1.912 1.839) 5.551 7.490 ( -3.024 3.649 -7.597) 8.955 7.745 ( 1.883 -0.950 5.981) 6.342 7.812 ( -1.323 -5.418 -1.490) 5.773 7.969 ( 6.325 5.029 3.580) 8.838 8.068 ( -6.675 3.831 -3.941) 8.647 8.287 ( 3.081 1.763 2.118) 4.133 8.320 ( -1.415 2.777 -1.256) 3.360 8.370 ( 1.619 0.213 0.484) 1.703 8.436 ( -2.204 3.356 -5.577) 6.872 8.549 ( -10.614 -1.055 4.239) 11.478 8.596 ( 9.405 -4.457 -1.398) 10.501 8.649 ( -2.143 -0.664 0.846) 2.398 8.698 ( 0.106 0.014 -2.215) 2.217 8.786 ( -5.168 1.613 0.697) 5.458 8.837 ( 6.187 1.762 -3.907) 7.527 8.972 ( -0.990 1.875 1.474) 2.582 9.032 ( 1.103 1.629 -1.028) 2.220 9.071 ( -0.103 -6.835 -1.325) 6.963 9.096 ( 0.160 -3.378 -1.882) 3.870 9.212 ( -1.218 1.841 1.898) 2.911 9.256 ( 0.415 -0.598 -2.642) 2.740 9.439 ( -0.263 2.489 4.245) 4.928 9.458 ( 1.047 4.570 1.013) 4.796 9.529 ( -3.885 6.389 4.537) 8.746 9.669 ( -2.713 3.476 -7.561) 8.752 9.911 ( -1.547 2.942 4.147) 5.315 9.938 ( 2.885 0.800 2.082) 3.647 10.092 ( -0.286 -0.749 3.123) 3.224 10.110 ( 0.388 0.026 3.202) 3.225 10.161 ( -0.343 -2.596 0.543) 2.674 10.199 ( 0.862 -7.657 3.558) 8.487 10.226 ( -1.287 -4.966 -2.676) 5.786 10.288 ( 0.206 -3.673 -3.871) 5.341 10.647 ( 2.061 -0.417 -0.770) 2.239 10.670 ( 1.361 -3.181 -2.007) 4.000 10.865 ( -1.518 -2.635 -0.909) 3.174 10.897 ( 4.057 -2.619 -3.701) 6.084 11.028 ( -5.504 -4.408 -0.835) 7.101 11.037 ( 0.568 -2.551 -1.714) 3.125 11.287 ( -3.286 -2.408 6.393) 7.580 11.398 ( 2.106 -1.349 -4.882) 5.485 11.489 ( 1.649 -3.862 1.094) 4.340 11.519 ( 2.008 -4.049 -2.480) 5.155 11.610 ( -0.269 -0.426 2.954) 2.997 11.663 ( 2.160 -0.078 -0.654) 2.258 11.864 ( -3.164 2.686 -0.082) 4.151 11.896 ( 5.434 -5.885 -2.160) 8.296 11.978 ( -4.968 -1.571 0.636) 5.249 11.998 ( 0.044 -1.845 -2.849) 3.395 12.255 ( 0.274 3.783 1.424) 4.051 12.301 ( 2.634 2.019 -1.546) 3.661 12.600 ( 3.445 2.283 5.282) 6.707 12.766 ( -1.394 2.148 -10.560) 10.866 12.856 ( -4.905 8.749 5.872) 11.623 12.954 ( 4.948 7.130 -2.646) 9.072 13.077 ( -5.815 0.061 1.388) 5.978 13.143 ( 6.556 2.320 -6.412) 9.459 13.474 ( -5.048 -3.713 4.963) 7.994 13.546 ( 5.730 -3.272 -2.219) 6.961 13.656 ( -0.757 -2.112 3.781) 4.396 13.705 ( 2.176 -2.774 -0.675) 3.589 14.305 ( -1.725 -1.440 4.326) 4.875 14.391 ( -1.794 0.330 -4.218) 4.596 14.548 ( -0.200 -0.778 7.680) 7.722 14.679 ( 0.886 -2.949 -5.685) 6.465 14.990 ( -3.433 7.726 3.054) 8.989 15.044 ( 2.662 9.086 -2.398) 9.767 15.431 ( -2.615 -4.777 6.774) 8.691 15.535 ( 1.388 -4.159 -4.357) 6.181 15.849 ( 0.956 0.179 2.831) 2.994 15.899 ( -0.880 0.097 -2.460) 2.615 15.917 ( 0.905 -0.996 1.562) 2.062 15.949 ( -0.197 -0.259 -1.462) 1.498 19.979 ( -1.785 0.187 0.787) 1.960 19.998 ( 1.058 0.401 -1.199) 1.649 20.080 ( 0.490 -0.527 0.326) 0.790 20.092 ( -1.183 0.233 -0.962) 1.543 20.907 ( -1.002 3.016 2.294) 3.920 20.945 ( 0.697 3.308 -1.626) 3.751 21.168 ( -3.487 -1.386 4.502) 5.861 21.240 ( 3.016 -1.277 -2.995) 4.438 21.344 ( 1.895 11.737 3.822) 12.488 21.448 ( -2.799 17.527 -7.740) 19.363 21.747 ( 0.966 2.154 2.508) 3.444 21.788 ( -0.734 3.701 -1.531) 4.072 21.828 ( 1.381 -0.505 1.854) 2.366 21.867 ( -1.847 -1.259 -1.849) 2.901 22.597 ( 2.475 -10.481 6.123) 12.389 22.708 ( -1.334 -9.012 -4.683) 10.244 22.834 ( 0.476 -1.312 -1.113) 1.785 22.844 ( 0.211 -0.186 -1.206) 1.238 22.983 ( 2.025 -2.287 -0.293) 3.069 23.021 ( -2.784 -2.380 -3.472) 5.047 23.665 ( 0.401 3.270 8.453) 9.072 23.798 ( 0.667 -1.032 -5.433) 5.571 24.636 ( 1.575 -5.631 9.242) 10.936 24.778 ( 0.388 -2.947 -6.704) 7.334 26.144 ( 0.140 0.364 0.078) 0.398 26.145 ( -0.792 0.345 -0.114) 0.871 26.175 ( -0.891 -0.418 0.151) 0.996 26.177 ( 0.935 -0.429 -0.049) 1.030 ======================= Grid point 78 (42/54) ======================= q-point: ( 0.14 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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| 1.129 ( 6.607 2.080 13.358) 15.047 1.211 ( 4.083 2.755 -10.735) 11.811 1.492 ( 15.819 6.252 17.954) 24.732 1.689 ( 15.387 5.708 -19.318) 25.348 1.916 ( 6.353 2.070 -0.624) 6.711 2.002 ( 15.853 10.732 3.432) 19.449 2.082 ( 0.642 0.942 -7.681) 7.765 2.152 ( 7.198 3.479 -0.207) 7.997 2.355 ( -0.077 -1.807 4.488) 4.838 2.389 ( -2.402 -7.015 -3.039) 8.014 2.503 ( 1.806 -8.955 -2.654) 9.513 2.585 ( 1.221 -7.388 0.232) 7.492 2.682 ( -3.382 1.633 0.487) 3.788 2.722 ( -1.384 2.129 -3.027) 3.951 2.809 ( 4.109 5.397 5.106) 8.490 2.835 ( 0.193 -1.169 1.679) 2.055 2.942 ( -0.812 -1.892 -1.235) 2.401 2.954 ( 0.870 4.557 2.790) 5.413 3.001 ( 0.081 2.062 2.820) 3.494 3.036 ( -1.974 1.234 -2.057) 3.107 3.122 ( 1.134 1.542 -1.803) 2.630 3.187 ( 6.601 0.450 4.622) 8.071 3.225 ( 3.424 -1.800 1.334) 4.092 3.298 ( -0.977 -1.266 0.260) 1.620 3.329 ( 1.892 1.344 -0.433) 2.361 3.353 ( 2.921 3.755 5.475) 7.253 3.417 ( 5.022 8.417 -10.774) 14.566 3.498 ( 4.927 3.504 -3.181) 6.832 3.525 ( -0.242 1.665 -1.315) 2.135 3.587 ( -2.609 3.646 2.868) 5.322 3.636 ( -5.035 -0.275 -1.153) 5.173 3.668 ( -6.039 1.951 2.395) 6.783 3.740 ( -4.931 3.362 -1.536) 6.162 3.938 ( 7.933 0.828 -0.139) 7.977 3.983 ( 2.786 -0.241 2.970) 4.079 4.079 ( 5.974 -3.888 2.888) 7.691 4.121 ( 3.320 -2.077 -2.604) 4.703 4.162 ( 5.624 -0.289 -0.528) 5.656 4.338 ( 2.611 -4.634 7.169) 8.927 4.427 ( -4.994 -5.813 -3.929) 8.612 4.500 ( -1.362 3.842 -1.448) 4.326 4.549 ( 1.767 -2.969 1.009) 3.599 4.627 ( -2.906 -0.686 -1.278) 3.248 4.682 ( -1.605 -1.853 0.103) 2.454 4.745 ( 0.210 -3.595 -1.895) 4.069 4.808 ( -8.113 -2.976 -4.283) 9.645 4.867 ( 3.107 1.299 -3.039) 4.536 4.893 ( 1.397 -1.706 2.883) 3.630 4.983 ( 0.645 3.558 -0.204) 3.621 5.006 ( 1.874 0.338 2.817) 3.400 5.109 ( 3.544 0.681 -1.525) 3.918 5.161 ( 6.561 -1.234 2.110) 7.002 5.205 ( -4.968 -2.371 0.345) 5.515 5.251 ( -8.553 -3.312 -2.689) 9.558 5.338 ( -3.303 -1.424 0.300) 3.609 5.409 ( 2.390 -3.169 0.774) 4.044 5.448 ( -3.084 -3.212 -4.263) 6.165 5.547 ( -0.149 0.287 0.182) 0.371 5.581 ( -7.613 1.186 -1.687) 7.887 5.607 ( -0.276 -0.658 3.548) 3.619 5.712 ( -8.559 0.014 -1.251) 8.650 5.898 ( -3.056 6.021 2.622) 7.243 5.911 ( -4.468 -5.850 -1.162) 7.452 6.052 ( -1.573 4.240 0.639) 4.567 6.168 ( -7.595 -0.940 -2.154) 7.951 6.259 ( -4.105 -8.381 1.321) 9.425 6.346 ( -6.845 -2.168 1.700) 7.379 6.413 ( -5.897 -2.670 0.621) 6.503 6.603 ( -1.366 4.333 -1.295) 4.724 6.629 ( 1.297 7.117 0.373) 7.244 6.822 ( 0.576 2.504 1.387) 2.920 6.935 ( -5.867 1.879 4.550) 7.659 6.966 ( -2.589 4.322 -1.471) 5.248 7.033 ( 2.693 1.927 3.068) 4.514 7.099 ( -3.192 8.552 -1.117) 9.197 7.150 ( 2.251 -2.312 -0.598) 3.282 7.206 ( -3.342 8.351 2.266) 9.276 7.287 ( 0.216 2.229 0.628) 2.326 7.379 ( -2.173 -2.312 -8.821) 9.375 7.453 ( 1.445 2.509 3.704) 4.702 7.758 ( -1.885 -5.216 -0.275) 5.554 7.829 ( 1.923 -1.126 1.545) 2.712 7.846 ( -8.910 -1.774 -1.251) 9.171 8.026 ( -5.324 1.901 -1.015) 5.744 8.322 ( 2.202 3.287 1.516) 4.236 8.345 ( 1.898 2.069 0.162) 2.813 8.420 ( 1.649 1.959 -3.452) 4.298 8.447 ( 6.037 -0.945 -2.706) 6.683 8.533 ( 4.752 -0.894 6.891) 8.418 8.654 ( -2.024 1.701 3.194) 4.147 8.688 ( 1.092 0.111 -1.797) 2.106 8.716 ( 3.334 4.786 1.269) 5.969 8.842 ( 10.774 -0.334 0.939) 10.820 8.936 ( 3.878 0.365 1.027) 4.028 8.958 ( -3.001 -0.214 -0.572) 3.063 9.002 ( 0.018 2.904 -1.743) 3.387 9.023 ( 1.852 -4.580 -1.521) 5.169 9.160 ( 2.607 -4.154 -1.750) 5.207 9.224 ( 0.530 -1.869 1.808) 2.654 9.294 ( 5.014 2.405 0.545) 5.588 9.391 ( -3.183 5.382 1.547) 6.441 9.453 ( -1.346 1.858 1.077) 2.535 9.565 ( -0.590 5.348 9.685) 11.079 9.649 ( 3.336 6.726 -3.232) 8.174 9.831 ( -7.411 1.028 1.108) 7.563 9.916 ( -4.047 1.559 -1.311) 4.531 10.044 ( -4.828 -0.707 2.490) 5.478 10.055 ( -3.654 -1.843 0.688) 4.150 10.138 ( -4.473 -0.736 0.973) 4.636 10.192 ( -0.760 -3.519 -1.130) 3.773 10.251 ( 2.115 -8.616 -2.393) 9.189 10.292 ( 2.414 -3.329 0.761) 4.182 10.581 ( -4.512 -2.727 -3.264) 6.200 10.636 ( -4.670 -3.233 -3.760) 6.812 10.740 ( -3.985 -7.520 -1.236) 8.600 10.934 ( -0.106 0.076 1.270) 1.277 11.098 ( 4.426 1.122 4.571) 6.461 11.180 ( 0.447 8.069 -0.306) 8.087 11.262 ( 8.175 -10.220 0.503) 13.097 11.447 ( 3.554 -1.901 2.063) 4.528 11.554 ( 7.065 -3.206 -1.053) 7.829 11.617 ( 2.137 0.217 0.147) 2.153 11.665 ( 9.949 -2.101 -6.081) 11.848 11.772 ( 9.500 -3.227 -0.389) 10.041 11.856 ( 2.706 -2.686 -1.831) 4.230 11.911 ( 3.387 -1.372 -2.419) 4.383 11.997 ( 5.529 -1.926 -1.950) 6.171 12.112 ( 8.257 -3.103 3.940) 9.661 12.289 ( 3.665 0.276 -3.494) 5.071 12.433 ( 9.008 -3.899 -0.705) 9.841 12.640 ( 0.588 5.003 -5.777) 7.664 12.714 ( 2.184 4.202 2.144) 5.198 12.860 ( 1.734 3.372 4.589) 5.952 12.980 ( -2.131 3.637 0.974) 4.326 13.054 ( 6.812 10.157 -3.812) 12.810 13.255 ( 7.527 -2.976 -4.464) 9.243 13.423 ( -3.551 -2.653 0.607) 4.474 13.633 ( 6.501 -0.879 1.445) 6.717 13.739 ( 5.580 -4.208 -1.880) 7.237 13.816 ( 11.845 -3.978 -3.101) 12.874 14.299 ( -2.566 0.262 3.690) 4.502 14.370 ( 0.677 -0.307 2.773) 2.871 14.540 ( -4.735 -0.010 4.931) 6.836 14.625 ( -3.027 -1.039 -5.899) 6.711 14.924 ( -5.831 9.687 3.350) 11.792 15.061 ( 0.964 5.904 -1.583) 6.188 15.397 ( -5.781 -2.961 7.243) 9.729 15.500 ( -2.581 -4.702 -3.894) 6.628 15.798 ( -7.499 0.228 -2.571) 7.931 15.815 ( -6.707 -0.633 3.131) 7.429 15.841 ( -8.386 -0.521 -2.202) 8.686 15.877 ( -6.670 -1.002 0.059) 6.745 20.005 ( 4.133 0.443 0.341) 4.170 20.065 ( 5.003 -1.489 -0.226) 5.225 20.089 ( 2.526 -0.192 0.301) 2.551 20.149 ( 5.255 -0.423 0.943) 5.355 20.920 ( 0.814 2.616 2.217) 3.524 20.967 ( 2.976 3.963 -1.296) 5.122 21.163 ( -0.124 0.150 4.067) 4.071 21.302 ( 3.853 -1.361 -0.995) 4.205 21.347 ( -1.930 12.818 -5.262) 13.990 21.410 ( 1.413 13.391 4.242) 14.118 21.741 ( -2.835 2.113 -1.955) 4.040 21.761 ( -0.897 3.860 2.115) 4.492 21.839 ( 0.417 -0.190 -1.727) 1.787 21.902 ( 4.877 -2.670 2.381) 6.048 22.590 ( -5.548 -11.011 -3.464) 12.807 22.670 ( -1.007 -11.860 1.931) 12.058 22.818 ( -1.267 0.474 -1.610) 2.103 22.849 ( 0.712 -1.608 -0.871) 1.963 22.963 ( -0.694 -0.499 -1.948) 2.127 23.028 ( 1.780 0.266 1.569) 2.388 23.640 ( -7.855 1.931 7.430) 10.983 23.701 ( -5.229 0.099 -7.121) 8.835 24.527 ( -15.748 -1.821 1.788) 15.953 24.567 ( -16.671 -1.572 -2.503) 16.931 26.178 ( 1.912 0.087 0.579) 2.000 26.203 ( 4.496 -0.166 -1.105) 4.633 26.217 ( 5.347 -1.016 2.008) 5.801 26.243 ( 6.699 -1.102 -1.632) 6.983 ======================= Grid point 79 (43/54) ======================= q-point: ( 0.29 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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| 1.355 ( 17.424 9.356 -2.825) 19.978 1.419 ( 13.364 4.942 8.662) 16.675 1.820 ( 17.015 4.876 -13.375) 22.185 1.927 ( 15.473 2.585 9.170) 18.171 2.007 ( 0.072 -3.288 -8.755) 9.353 2.056 ( 4.371 -4.359 9.632) 11.440 2.244 ( 2.047 2.016 0.958) 3.028 2.306 ( 6.889 6.202 0.838) 9.307 2.413 ( 7.276 -4.577 1.729) 8.768 2.433 ( 5.370 -2.821 -0.076) 6.066 2.518 ( 1.075 -8.005 -1.808) 8.277 2.561 ( 2.133 -7.413 -0.540) 7.733 2.653 ( -1.490 -1.094 1.334) 2.280 2.711 ( 0.640 -5.693 -2.487) 6.246 2.781 ( -7.319 -4.284 0.935) 8.532 2.852 ( -0.976 2.669 -0.694) 2.925 2.963 ( 0.469 1.366 5.235) 5.431 2.973 ( 1.198 0.832 -1.396) 2.019 3.009 ( -0.910 7.795 -1.396) 7.971 3.047 ( 2.784 0.087 3.271) 4.296 3.138 ( 1.404 0.029 -2.879) 3.203 3.236 ( -5.391 -0.258 0.857) 5.465 3.252 ( -3.008 1.107 -1.633) 3.597 3.258 ( 4.557 4.775 0.899) 6.662 3.352 ( 2.398 -1.373 2.085) 3.462 3.426 ( 4.158 3.569 -8.771) 10.342 3.460 ( -0.112 1.041 -2.666) 2.864 3.513 ( 6.713 2.921 -4.308) 8.495 3.518 ( -2.738 1.343 -0.845) 3.164 3.631 ( 1.355 6.807 1.204) 7.044 3.642 ( 7.324 1.585 -1.098) 7.574 3.724 ( 13.276 11.979 9.775) 20.379 3.879 ( 12.540 3.766 6.651) 14.686 3.982 ( -3.837 -2.280 1.943) 4.868 4.034 ( 4.428 2.722 -4.233) 6.703 4.108 ( -2.942 -1.435 -0.825) 3.376 4.165 ( 0.748 4.128 0.104) 4.197 4.278 ( 4.220 -2.355 2.354) 5.376 4.323 ( -6.457 -2.787 3.136) 7.700 4.398 ( 3.967 -6.722 -1.207) 7.898 4.518 ( 4.769 -3.511 -2.173) 6.308 4.556 ( -10.135 3.932 -0.532) 10.884 4.581 ( -0.640 -1.449 2.173) 2.689 4.623 ( -0.649 -2.347 -2.004) 3.154 4.686 ( -2.645 -0.569 -2.621) 3.767 4.729 ( 2.255 -3.251 -2.810) 4.852 4.800 ( -2.896 -1.043 -2.831) 4.182 4.914 ( -13.514 -0.378 2.790) 13.804 4.925 ( 1.797 -0.189 -2.797) 3.330 5.011 ( -2.495 -0.449 -0.553) 2.595 5.066 ( -5.789 -0.879 3.970) 7.074 5.156 ( 1.511 0.988 2.604) 3.169 5.222 ( -4.492 -0.318 -1.485) 4.742 5.279 ( 2.097 -2.153 -1.381) 3.308 5.335 ( 9.902 0.658 1.402) 10.023 5.393 ( -1.107 1.367 0.600) 1.859 5.420 ( 1.443 -2.513 -1.015) 3.071 5.455 ( -7.817 3.743 0.248) 8.671 5.544 ( 3.261 -1.815 2.310) 4.389 5.616 ( 0.802 -3.244 -0.457) 3.373 5.661 ( 2.437 -1.713 1.447) 3.311 5.766 ( -5.990 -4.035 -2.898) 7.782 5.882 ( -3.390 0.682 1.545) 3.787 5.986 ( -4.784 2.036 0.968) 5.289 6.026 ( -4.877 4.278 -2.995) 7.145 6.128 ( -9.365 -3.196 -0.358) 9.901 6.221 ( -7.479 -1.552 1.103) 7.718 6.279 ( -9.099 0.262 2.093) 9.340 6.531 ( -4.763 5.247 -3.283) 7.810 6.623 ( -4.207 6.912 -0.339) 8.099 6.767 ( -5.983 3.904 -1.041) 7.219 6.890 ( -4.152 -2.617 4.728) 6.815 6.930 ( 0.969 7.050 1.110) 7.203 7.013 ( -1.473 6.770 -5.123) 8.617 7.083 ( 1.365 -0.746 2.242) 2.729 7.165 ( -0.987 0.414 0.395) 1.141 7.215 ( -2.094 -0.542 -0.012) 2.163 7.293 ( 4.026 -3.221 1.034) 5.259 7.328 ( -1.118 -1.954 0.860) 2.410 7.481 ( -0.348 3.695 3.983) 5.444 7.694 ( -3.911 -6.160 -3.174) 7.958 7.738 ( -3.413 -4.908 2.521) 6.488 7.855 ( -0.044 1.314 0.480) 1.400 7.907 ( -3.973 0.239 -5.738) 6.983 8.297 ( -2.521 2.300 0.363) 3.432 8.395 ( -0.863 4.440 -0.587) 4.561 8.442 ( 2.991 -1.195 -1.416) 3.519 8.526 ( 5.517 -3.388 -5.384) 8.421 8.614 ( -0.210 -0.997 0.326) 1.070 8.647 ( 2.655 0.653 2.224) 3.524 8.714 ( 1.951 3.302 2.698) 4.689 8.801 ( 0.270 2.562 0.244) 2.588 8.920 ( -0.267 -0.100 4.934) 4.942 8.994 ( 2.357 -1.250 1.608) 3.115 9.020 ( 6.126 1.475 1.172) 6.409 9.028 ( 1.085 7.299 0.326) 7.386 9.081 ( 3.553 -6.283 -3.681) 8.102 9.162 ( 1.399 -0.942 2.154) 2.736 9.274 ( 1.755 -2.923 3.869) 5.157 9.340 ( -4.424 4.134 1.501) 6.238 9.426 ( 5.135 4.861 5.221) 8.790 9.492 ( 6.606 5.850 -0.395) 8.833 9.599 ( 0.166 3.903 6.194) 7.323 9.696 ( -0.033 2.800 1.343) 3.105 9.735 ( -0.325 2.149 -0.375) 2.205 9.849 ( 0.540 -1.287 -3.422) 3.696 9.980 ( -3.790 2.136 2.637) 5.088 9.997 ( -4.815 -2.587 -2.726) 6.108 10.072 ( -3.748 0.296 4.063) 5.536 10.186 ( 0.508 -3.011 -1.586) 3.441 10.225 ( -1.390 -7.428 -0.978) 7.620 10.321 ( -0.953 -3.592 -1.437) 3.984 10.469 ( -5.497 -4.501 -3.526) 7.932 10.569 ( 2.752 0.362 -2.978) 4.071 10.646 ( -5.908 -5.830 -2.792) 8.757 10.960 ( -0.243 -3.970 0.787) 4.055 11.067 ( -4.310 7.930 0.401) 9.035 11.249 ( 5.105 -3.744 12.189) 13.735 11.391 ( 4.283 -2.855 -3.088) 6.002 11.531 ( -0.455 -1.391 1.201) 1.893 11.633 ( 3.128 -1.289 -5.326) 6.309 11.689 ( 6.762 -4.609 1.195) 8.270 11.789 ( 5.959 7.539 -0.284) 9.614 11.895 ( 5.682 -5.937 -0.096) 8.218 11.960 ( 8.613 -4.728 -4.603) 10.850 12.042 ( 3.163 1.240 -4.234) 5.428 12.091 ( 11.554 1.139 -1.328) 11.685 12.230 ( 2.558 -2.401 -3.747) 5.133 12.328 ( 3.020 -2.142 0.731) 3.774 12.504 ( 2.229 1.133 -2.648) 3.642 12.701 ( 7.521 1.649 -3.672) 8.530 12.829 ( 6.785 -3.276 5.811) 9.515 12.980 ( 8.483 0.207 0.469) 8.499 13.047 ( 7.994 4.047 2.410) 9.278 13.115 ( 0.651 2.333 -3.242) 4.047 13.354 ( 3.285 -7.680 1.421) 8.474 13.410 ( 8.296 2.353 -4.590) 9.769 13.747 ( 3.645 -4.281 -7.552) 9.415 13.817 ( 3.422 0.071 7.389) 8.143 14.046 ( 12.639 -4.538 -1.147) 13.478 14.276 ( -0.628 4.032 -0.649) 4.132 14.397 ( -2.611 4.930 2.013) 5.931 14.474 ( -5.373 0.580 4.676) 7.146 14.493 ( -5.780 3.186 -3.637) 7.536 14.845 ( -4.274 7.347 3.788) 9.306 15.086 ( 2.853 0.410 0.945) 3.033 15.323 ( -7.809 -2.155 7.494) 11.036 15.375 ( -8.691 -3.579 -3.511) 10.034 15.618 ( -9.782 0.184 -2.455) 10.087 15.654 ( -7.412 -1.311 -3.373) 8.248 15.682 ( -8.574 -0.901 0.642) 8.645 15.727 ( -9.097 -2.420 0.209) 9.416 20.105 ( 5.756 -0.277 -0.065) 5.763 20.130 ( 3.421 -0.622 -0.140) 3.480 20.186 ( 6.113 -3.390 0.271) 6.996 20.266 ( 4.987 -2.451 2.807) 6.225 20.967 ( 2.683 2.759 2.398) 4.534 21.043 ( 6.094 3.852 -0.112) 7.210 21.210 ( 2.161 3.548 4.061) 5.809 21.253 ( -3.819 9.263 -1.866) 10.192 21.377 ( 2.177 -0.732 -1.398) 2.689 21.452 ( -0.064 11.489 3.698) 12.069 21.684 ( -1.236 1.261 -0.953) 2.006 21.747 ( -2.058 5.771 1.948) 6.429 21.877 ( 4.833 -2.056 -0.737) 5.304 22.031 ( 8.351 -2.263 0.451) 8.664 22.424 ( -9.293 -12.073 -5.461) 16.184 22.618 ( -7.221 -11.629 4.398) 14.378 22.775 ( -1.331 -0.295 -1.175) 1.800 22.835 ( -0.428 -3.411 -4.013) 5.284 22.983 ( -0.151 4.232 -0.675) 4.288 23.029 ( -0.155 4.158 -1.002) 4.280 23.515 ( -9.310 1.400 5.671) 10.990 23.624 ( 3.772 -1.406 -5.012) 6.428 24.140 ( -18.615 2.182 -12.894) 22.749 24.264 ( -19.813 -0.920 8.537) 21.594 26.225 ( 2.457 0.491 0.883) 2.657 26.275 ( 4.102 -0.167 -1.560) 4.392 26.330 ( 3.655 -2.068 4.137) 5.895 26.345 ( 5.726 -1.574 -2.833) 6.579 ======================= Grid point 80 (44/54) ======================= q-point: ( 0.43 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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| 1.653 ( 12.240 4.939 0.730) 13.219 1.693 ( 9.164 7.264 4.883) 12.672 1.994 ( 7.842 -1.311 -9.895) 12.693 2.066 ( 13.395 0.538 -8.259) 15.746 2.088 ( -1.894 -2.526 9.504) 10.015 2.144 ( -7.506 4.416 1.655) 8.864 2.305 ( 9.272 -2.533 7.224) 12.024 2.391 ( -6.801 -1.308 -0.285) 6.932 2.448 ( 0.006 -4.103 0.594) 4.146 2.486 ( 1.583 -4.601 2.913) 5.671 2.541 ( 1.821 -5.441 3.270) 6.605 2.593 ( 4.723 -3.533 -1.026) 5.987 2.654 ( 2.334 -3.657 -1.657) 4.644 2.727 ( 0.517 -3.031 -0.807) 3.179 2.781 ( 3.424 -5.418 1.892) 6.683 2.854 ( 2.322 -5.083 -0.594) 5.620 2.909 ( -3.929 2.897 0.317) 4.892 2.956 ( -4.048 1.425 1.676) 4.607 2.993 ( -1.380 -1.920 -4.510) 5.092 3.032 ( -4.083 0.768 -3.461) 5.408 3.138 ( 0.160 5.113 3.035) 5.948 3.187 ( 0.818 3.846 0.074) 3.933 3.246 ( 1.287 -0.228 2.784) 3.076 3.305 ( -1.178 4.496 1.800) 4.984 3.364 ( -0.647 4.421 3.049) 5.410 3.402 ( -1.355 3.775 -1.973) 4.470 3.481 ( 1.880 1.492 -0.759) 2.517 3.576 ( 5.920 -4.479 -3.661) 8.277 3.639 ( 3.163 8.757 0.183) 9.312 3.737 ( 8.595 -0.475 -0.686) 8.636 3.756 ( 6.805 -2.349 -0.035) 7.199 3.881 ( -3.594 5.133 -2.461) 6.732 3.973 ( -1.390 3.286 -5.744) 6.762 4.018 ( 6.284 9.070 7.109) 13.126 4.039 ( -2.114 0.856 1.428) 2.691 4.086 ( 3.377 3.670 -7.770) 9.232 4.181 ( -0.038 4.142 -2.997) 5.113 4.244 ( -2.040 4.122 3.991) 6.089 4.300 ( -14.096 3.709 -1.976) 14.709 4.337 ( -1.426 -2.716 -0.753) 3.158 4.457 ( 3.243 -6.225 -3.076) 7.663 4.501 ( -6.057 -1.685 0.527) 6.309 4.574 ( 2.511 -3.129 8.135) 9.071 4.638 ( 2.658 2.871 2.986) 4.922 4.709 ( 0.522 -1.231 -0.064) 1.339 4.744 ( 9.848 1.658 -2.706) 10.346 4.770 ( -9.052 -3.683 2.460) 10.077 4.819 ( 3.961 -2.015 1.856) 4.816 4.896 ( -2.951 0.509 -2.989) 4.231 4.936 ( -0.755 -2.623 -1.418) 3.076 5.038 ( -0.150 -0.497 2.175) 2.236 5.120 ( -4.195 -0.216 0.762) 4.269 5.222 ( -0.161 1.404 0.372) 1.462 5.267 ( -1.770 4.450 0.498) 4.815 5.302 ( -0.081 -1.652 -2.042) 2.628 5.381 ( 0.392 2.188 -4.118) 4.680 5.462 ( 1.633 -5.906 2.145) 6.492 5.569 ( 1.622 -5.168 -2.114) 5.814 5.592 ( 5.241 -1.244 4.585) 7.074 5.643 ( 0.486 -2.379 -1.389) 2.798 5.702 ( 2.569 -3.827 -2.617) 5.300 5.761 ( 5.420 -3.237 0.764) 6.359 5.829 ( 0.136 1.396 4.210) 4.437 5.919 ( -4.009 3.034 -3.245) 5.984 5.941 ( -5.489 2.609 1.362) 6.228 5.985 ( -4.072 1.622 0.216) 4.389 6.101 ( -6.398 1.787 2.803) 7.210 6.165 ( -2.468 1.224 0.096) 2.756 6.410 ( -4.738 7.356 -4.168) 9.692 6.445 ( -9.561 7.874 -2.650) 12.666 6.740 ( 1.618 1.419 0.191) 2.161 6.806 ( -4.982 -0.295 0.866) 5.065 6.965 ( 0.216 3.601 -0.070) 3.608 6.987 ( 1.461 4.138 -3.486) 5.604 7.112 ( -0.824 -3.518 4.715) 5.940 7.156 ( 1.500 -1.741 0.825) 2.442 7.214 ( 1.078 1.122 1.496) 2.159 7.305 ( -2.710 -2.055 1.091) 3.572 7.363 ( 1.707 -5.144 3.079) 6.234 7.481 ( -2.314 -2.468 0.240) 3.392 7.642 ( -0.490 -1.107 2.832) 3.080 7.715 ( -1.268 -2.345 3.204) 4.168 7.822 ( -0.519 2.121 -7.295) 7.614 7.841 ( -0.598 2.497 -2.483) 3.571 8.277 ( 0.050 3.405 -0.179) 3.410 8.325 ( -2.463 4.914 -3.141) 6.331 8.497 ( 0.172 -1.907 4.025) 4.457 8.589 ( 3.926 -4.666 -5.477) 8.196 8.609 ( 0.509 -1.023 0.752) 1.368 8.696 ( 0.760 -2.715 0.669) 2.897 8.732 ( -0.754 0.788 1.924) 2.212 8.781 ( 0.713 1.837 -4.247) 4.682 8.966 ( -0.069 -3.258 5.448) 6.348 9.008 ( 0.111 -2.484 -0.510) 2.538 9.054 ( 1.950 -2.494 -4.076) 5.161 9.082 ( -0.198 1.949 2.768) 3.391 9.122 ( 1.955 2.501 1.887) 3.693 9.188 ( -1.574 -1.120 -0.240) 1.946 9.234 ( -1.027 3.673 2.738) 4.695 9.343 ( -1.886 6.176 0.006) 6.457 9.513 ( 2.770 5.385 8.487) 10.426 9.616 ( 2.991 4.769 0.959) 5.710 9.670 ( 1.429 -2.647 6.396) 7.068 9.740 ( 4.879 -1.230 0.252) 5.038 9.784 ( 4.681 2.894 -1.337) 5.663 9.882 ( -0.292 -1.797 1.690) 2.485 9.905 ( -2.157 -0.667 -0.487) 2.310 9.945 ( -2.241 3.262 4.894) 6.294 10.002 ( -3.054 -1.820 -0.154) 3.558 10.138 ( -1.535 1.722 -3.226) 3.966 10.237 ( -3.164 -1.832 4.280) 5.629 10.277 ( 1.064 -2.787 -5.728) 6.458 10.368 ( -0.700 -3.398 -4.346) 5.561 10.476 ( -7.829 -0.637 -4.128) 8.874 10.699 ( 8.718 -4.041 0.727) 9.636 10.881 ( -5.226 -7.928 -1.927) 9.689 11.103 ( 3.555 7.543 3.093) 8.894 11.346 ( -2.134 -3.514 -7.190) 8.283 11.397 ( -0.639 -2.033 8.189) 8.462 11.554 ( 4.038 -5.664 3.486) 7.781 11.640 ( 0.891 -1.175 -2.470) 2.877 11.781 ( -0.814 4.234 4.809) 6.459 11.847 ( 2.774 -2.831 -2.194) 4.530 11.953 ( -0.575 2.576 -9.266) 9.635 12.022 ( 5.860 -5.743 -0.480) 8.219 12.119 ( 2.829 2.628 2.534) 4.619 12.211 ( 1.311 4.032 -7.987) 9.042 12.218 ( 3.294 2.222 -4.517) 6.016 12.396 ( 4.314 -2.842 3.741) 6.378 12.539 ( 0.432 2.022 -0.778) 2.210 12.803 ( 6.348 -3.224 -1.574) 7.292 12.911 ( -4.500 -4.809 -0.372) 6.597 13.080 ( 1.699 -5.055 -0.589) 5.366 13.100 ( 4.880 -0.415 -2.443) 5.473 13.276 ( 10.181 -6.582 2.796) 12.441 13.450 ( 6.128 -2.166 2.415) 6.933 13.567 ( 6.971 -1.929 -3.789) 8.165 13.706 ( -4.474 0.615 2.505) 5.165 13.907 ( 4.913 7.855 0.870) 9.306 14.114 ( -9.479 8.027 -5.407) 13.547 14.231 ( -0.382 1.802 5.820) 6.104 14.366 ( -3.789 3.508 0.741) 5.217 14.403 ( 2.348 1.690 -0.890) 3.027 14.441 ( 0.433 1.415 -3.699) 3.984 14.866 ( 2.919 2.968 6.905) 8.063 15.142 ( -8.609 -0.280 -2.868) 9.078 15.198 ( 4.779 -5.543 1.758) 7.527 15.237 ( -7.343 -0.395 6.637) 9.906 15.476 ( -2.781 -1.173 -1.940) 3.588 15.531 ( -5.327 -2.279 -0.851) 5.857 15.566 ( -4.675 -2.305 -0.587) 5.245 15.590 ( -2.463 -1.712 -2.998) 4.241 20.179 ( 1.631 -0.209 0.606) 1.752 20.185 ( 2.736 -0.349 -0.898) 2.900 20.291 ( 3.175 -5.047 1.861) 6.247 20.331 ( 2.142 -4.470 -0.343) 4.969 21.043 ( 3.594 3.126 2.535) 5.395 21.156 ( 0.486 3.148 -0.892) 3.307 21.183 ( 1.208 5.145 1.539) 5.505 21.275 ( 0.221 6.524 2.819) 7.111 21.374 ( 1.022 0.406 -0.065) 1.102 21.450 ( -1.747 7.364 0.800) 7.611 21.712 ( 3.204 6.066 2.204) 7.206 21.724 ( -1.437 6.767 2.551) 7.373 21.975 ( 6.311 -7.664 -2.916) 10.348 22.191 ( -10.703 -13.302 -5.810) 18.035 22.211 ( 9.075 1.841 1.669) 9.409 22.472 ( -9.930 -3.642 1.057) 10.629 22.788 ( 1.746 -1.265 2.050) 2.975 22.806 ( 0.423 -2.658 -2.295) 3.537 22.885 ( -3.036 -0.020 -4.081) 5.086 23.046 ( -1.298 -0.019 -2.667) 2.967 23.444 ( -1.731 6.131 6.777) 9.301 23.718 ( -3.227 3.148 -6.036) 7.534 23.817 ( 4.180 -2.017 -7.829) 9.101 23.967 ( -17.570 -1.322 6.536) 18.793 26.267 ( 1.121 0.596 1.450) 1.927 26.316 ( 1.419 -0.038 -2.165) 2.589 26.384 ( -0.381 -1.783 3.523) 3.967 26.415 ( 4.005 -1.857 -2.502) 5.074 ======================= Grid point 81 (45/54) ======================= q-point: (-0.43 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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| 1.685 ( -9.006 1.744 -2.346) 9.468 1.781 ( -14.249 7.739 -1.772) 16.311 1.826 ( -2.600 1.552 4.648) 5.547 1.943 ( -16.297 1.880 4.458) 17.000 2.185 ( 4.772 -0.085 1.282) 4.942 2.253 ( 0.828 -0.846 -3.528) 3.721 2.283 ( 3.718 -0.691 -0.505) 3.815 2.433 ( 6.840 -5.268 -1.705) 8.800 2.499 ( -5.604 -4.125 -5.466) 8.849 2.533 ( 1.971 -6.972 1.929) 7.498 2.587 ( 3.188 -2.931 -0.010) 4.330 2.609 ( 1.175 -6.664 -3.907) 7.814 2.656 ( -4.879 -0.132 -4.643) 6.736 2.703 ( 3.282 -3.923 1.012) 5.213 2.831 ( -5.037 -1.630 -0.337) 5.305 2.865 ( -1.515 -0.501 -0.099) 1.599 2.884 ( 1.038 1.152 2.550) 2.984 2.914 ( 1.123 -0.111 -0.189) 1.144 2.953 ( 3.208 -1.026 3.210) 4.652 3.020 ( 3.658 -2.915 -2.310) 5.216 3.128 ( -2.941 7.990 2.930) 9.004 3.189 ( -1.937 4.343 -1.327) 4.937 3.268 ( -1.787 3.098 3.983) 5.353 3.312 ( 1.268 0.040 1.455) 1.930 3.341 ( -2.074 3.492 0.823) 4.144 3.417 ( 0.554 8.581 -2.198) 8.875 3.480 ( -4.195 -2.494 3.986) 6.301 3.530 ( -6.244 -2.856 -1.318) 6.991 3.652 ( -18.941 2.858 -3.257) 19.431 3.713 ( -5.735 2.965 5.357) 8.390 3.770 ( -8.661 5.396 -2.622) 10.536 3.786 ( 7.217 2.157 2.735) 8.013 3.899 ( 3.885 0.300 2.342) 4.547 4.016 ( 1.715 6.837 -0.944) 7.112 4.074 ( 2.305 0.937 -1.374) 2.842 4.126 ( 4.460 1.764 -3.389) 5.873 4.140 ( -1.916 5.408 1.258) 5.874 4.271 ( 7.307 2.796 2.590) 8.241 4.288 ( -1.379 1.324 -0.479) 1.971 4.364 ( 0.119 2.487 -6.480) 6.942 4.412 ( -1.729 -4.823 2.864) 5.870 4.493 ( 0.557 -2.788 -0.228) 2.852 4.574 ( -5.999 -1.964 7.379) 9.711 4.674 ( 3.500 -3.265 3.960) 6.212 4.686 ( -3.726 -2.477 -0.085) 4.475 4.779 ( 2.911 1.281 -5.644) 6.479 4.814 ( 4.558 -0.955 -0.771) 4.721 4.863 ( -1.493 -2.258 -3.117) 4.128 4.883 ( -1.923 3.295 -0.699) 3.879 4.960 ( 8.611 -2.085 -4.325) 9.859 5.049 ( 0.615 2.015 -0.585) 2.186 5.127 ( 6.829 -0.733 2.189) 7.209 5.218 ( 1.570 -0.178 0.549) 1.672 5.296 ( 2.162 0.311 -5.404) 5.829 5.318 ( 2.012 1.326 2.024) 3.147 5.387 ( 3.960 2.406 -7.003) 8.397 5.501 ( 0.330 -6.338 0.969) 6.420 5.526 ( -0.212 -6.404 -0.557) 6.432 5.587 ( -3.825 -2.498 0.445) 4.590 5.661 ( -7.076 -0.188 -0.825) 7.126 5.689 ( -0.707 -2.653 -1.073) 2.948 5.785 ( -4.242 -1.201 0.398) 4.427 5.860 ( 5.462 1.043 1.777) 5.838 5.890 ( -2.578 0.508 -1.720) 3.141 5.920 ( -1.054 1.276 2.397) 2.913 5.976 ( 7.789 1.740 1.449) 8.111 6.113 ( 4.459 3.081 5.049) 7.407 6.163 ( 2.903 0.730 -2.073) 3.641 6.361 ( 2.001 8.232 -0.159) 8.473 6.404 ( 6.782 8.968 0.962) 11.285 6.723 ( -3.055 1.591 1.458) 3.740 6.815 ( 4.538 -0.099 -0.129) 4.541 6.954 ( -0.843 2.965 -0.808) 3.187 6.992 ( 1.319 3.418 -2.568) 4.474 7.125 ( -1.724 -3.414 4.032) 5.558 7.195 ( 1.967 -3.038 -2.764) 4.554 7.249 ( -2.583 1.018 -1.312) 3.071 7.270 ( 3.523 -0.332 4.957) 6.091 7.405 ( -2.289 -5.273 1.132) 5.859 7.431 ( 0.851 -5.953 2.366) 6.462 7.657 ( -2.020 3.313 3.738) 5.388 7.741 ( 1.274 -0.677 4.367) 4.599 7.791 ( 0.938 2.372 -5.803) 6.339 7.817 ( 1.753 1.801 -4.720) 5.347 8.262 ( -0.891 4.912 0.358) 5.005 8.328 ( 4.183 3.600 -2.906) 6.237 8.481 ( -4.515 -2.948 5.487) 7.693 8.560 ( -3.141 -3.375 -2.065) 5.052 8.652 ( 0.891 -2.796 0.960) 3.088 8.676 ( 0.074 -4.106 -3.059) 5.121 8.754 ( 0.144 0.968 -0.335) 1.034 8.800 ( 4.988 1.641 -4.250) 6.756 8.954 ( -3.283 -3.049 3.074) 5.434 8.995 ( -1.905 -2.431 1.641) 3.498 9.050 ( -1.978 -2.234 -0.092) 2.985 9.089 ( 2.980 -2.903 -0.007) 4.160 9.158 ( -0.699 1.273 0.056) 1.454 9.171 ( 0.346 1.670 -0.319) 1.735 9.277 ( 1.685 6.240 4.497) 7.874 9.301 ( 0.029 8.155 -1.716) 8.334 9.583 ( -2.185 0.081 4.557) 5.055 9.619 ( -4.621 3.726 1.261) 6.068 9.658 ( -3.896 0.495 3.767) 5.442 9.753 ( -3.474 -0.559 0.827) 3.615 9.819 ( -1.395 -0.748 -4.453) 4.726 9.877 ( -2.240 2.674 1.626) 3.849 9.899 ( 4.688 1.898 -0.510) 5.084 9.934 ( -1.880 -3.733 7.927) 8.962 10.064 ( 3.789 -1.453 -3.473) 5.341 10.073 ( -1.558 1.921 -1.931) 3.138 10.194 ( -2.168 -0.627 2.451) 3.332 10.297 ( 5.532 1.776 -0.948) 5.887 10.382 ( 2.373 -4.385 -4.828) 6.940 10.429 ( 6.632 -2.111 0.740) 6.999 10.751 ( -6.210 -7.016 -4.360) 10.335 10.851 ( 6.003 -3.585 0.968) 7.059 11.171 ( -1.407 2.822 1.385) 3.444 11.235 ( 0.384 4.104 -4.748) 6.288 11.450 ( 0.084 -3.271 6.764) 7.514 11.589 ( 2.695 -6.769 -9.605) 12.056 11.683 ( -4.965 5.109 13.493) 15.258 11.765 ( -1.129 -3.179 1.826) 3.836 11.801 ( -3.213 -2.052 -6.665) 7.679 11.920 ( 3.182 -1.074 -5.865) 6.758 12.048 ( -6.222 0.811 0.731) 6.317 12.104 ( -3.448 1.185 2.160) 4.238 12.189 ( 1.228 1.252 -4.160) 4.514 12.219 ( 0.195 5.518 -7.165) 9.046 12.471 ( -4.618 -1.255 -3.137) 5.721 12.508 ( 2.154 -0.061 1.922) 2.888 12.759 ( -8.176 -6.693 1.664) 10.696 12.913 ( 3.127 -5.421 1.405) 6.414 13.057 ( -3.751 -3.781 0.602) 5.360 13.110 ( -2.424 -2.304 -2.814) 4.371 13.372 ( -6.226 -7.529 -5.432) 11.179 13.411 ( 0.244 -9.721 2.479) 10.035 13.528 ( -13.650 8.580 1.394) 16.183 13.745 ( 0.199 5.533 0.167) 5.539 13.939 ( 2.697 8.032 -0.849) 8.515 14.052 ( 8.232 6.515 -2.071) 10.700 14.169 ( -12.708 1.918 8.429) 15.370 14.320 ( 0.379 -1.679 4.910) 5.203 14.450 ( 3.276 4.105 -4.854) 7.152 14.516 ( 9.534 1.137 -7.612) 12.253 14.965 ( -4.541 0.588 -0.866) 4.660 15.020 ( 5.083 1.850 7.699) 9.410 15.174 ( -3.842 -2.099 4.672) 6.403 15.332 ( 7.938 -3.796 -2.273) 9.088 15.450 ( -0.237 -2.609 -0.159) 2.625 15.500 ( 2.983 -3.876 1.534) 5.125 15.566 ( 6.231 -0.752 -0.877) 6.337 15.599 ( 4.911 -1.378 -2.904) 5.869 20.177 ( -2.104 -0.757 0.063) 2.237 20.195 ( -1.016 0.258 -1.049) 1.483 20.264 ( -5.376 -3.670 2.468) 6.962 20.389 ( 3.553 -7.382 -4.006) 9.119 21.076 ( -3.836 4.324 -0.751) 5.828 21.122 ( 1.204 2.986 2.017) 3.799 21.201 ( -4.997 2.830 1.158) 5.858 21.265 ( 1.034 2.183 2.856) 3.740 21.402 ( -2.399 2.844 -2.852) 4.688 21.468 ( 6.549 6.191 -1.147) 9.085 21.718 ( -1.146 6.807 1.878) 7.153 21.786 ( 3.293 12.595 -2.878) 13.332 21.962 ( -9.003 -10.239 -1.883) 13.764 22.097 ( 8.048 -13.454 2.467) 15.871 22.220 ( -10.818 2.311 2.900) 11.436 22.475 ( 11.406 5.173 -1.966) 12.677 22.799 ( 0.798 -0.836 -1.867) 2.196 22.805 ( 1.623 -1.890 -1.251) 2.788 22.935 ( -3.603 -4.535 -3.554) 6.796 22.963 ( 4.923 -5.354 3.591) 8.111 23.437 ( -6.002 4.377 8.062) 10.963 23.667 ( 10.365 9.278 -4.112) 14.506 23.693 ( -15.412 -2.195 6.577) 16.900 24.073 ( 18.217 -2.995 -4.330) 18.963 26.277 ( -1.360 0.385 1.833) 2.315 26.299 ( -1.580 0.314 -1.856) 2.457 26.368 ( -3.326 -1.109 2.427) 4.264 26.453 ( 1.852 -3.022 -3.366) 4.888 ======================= Grid point 82 (46/54) ======================= q-point: (-0.29 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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| 1.306 ( -25.920 9.886 2.604) 27.863 1.496 ( -18.170 7.066 9.183) 21.550 1.646 ( -10.648 0.261 -6.637) 12.550 1.923 ( 3.909 1.848 -1.056) 4.451 2.114 ( -9.181 -1.715 -7.425) 11.932 2.222 ( -1.255 -3.819 3.531) 5.350 2.253 ( -9.629 2.636 -4.372) 10.898 2.367 ( -5.134 1.017 -4.527) 6.920 2.444 ( -9.575 -3.228 -3.415) 10.666 2.487 ( -5.454 -4.689 -0.482) 7.209 2.490 ( 0.086 -1.547 -4.911) 5.150 2.584 ( -3.610 -1.876 -3.038) 5.078 2.642 ( -0.293 -3.327 0.860) 3.449 2.721 ( -2.980 -5.639 -2.173) 6.738 2.807 ( 7.849 -1.973 -0.291) 8.099 2.826 ( -0.705 -2.241 1.016) 2.560 2.929 ( -4.255 1.456 3.748) 5.854 2.942 ( 0.636 3.657 2.541) 4.499 3.027 ( 1.384 0.444 0.678) 1.604 3.043 ( -9.482 5.357 6.599) 12.734 3.093 ( -2.500 4.549 1.677) 5.455 3.121 ( -0.107 2.923 2.815) 4.059 3.216 ( 1.897 3.857 2.772) 5.115 3.284 ( -6.606 -0.284 -0.285) 6.618 3.312 ( -1.321 5.265 -0.280) 5.436 3.367 ( 3.586 -1.625 3.521) 5.282 3.437 ( -0.349 3.210 1.649) 3.626 3.476 ( 3.011 -0.961 0.586) 3.214 3.529 ( -0.562 0.452 -5.506) 5.553 3.612 ( -5.106 3.487 1.197) 6.297 3.678 ( -2.159 3.380 -2.464) 4.707 3.890 ( -8.722 0.559 -4.128) 9.665 3.914 ( -1.203 2.101 3.443) 4.209 3.961 ( -1.605 4.464 2.206) 5.231 4.045 ( -11.631 3.250 -2.222) 12.280 4.072 ( 1.477 -0.789 -0.596) 1.777 4.199 ( 0.605 0.298 -2.460) 2.551 4.252 ( 1.564 -5.315 2.513) 6.083 4.319 ( 2.234 -4.787 0.870) 5.354 4.392 ( 1.071 -5.811 0.488) 5.929 4.452 ( 3.646 2.251 7.040) 8.241 4.559 ( 4.428 -1.402 3.417) 5.766 4.615 ( 0.174 0.947 -4.642) 4.741 4.644 ( 3.489 0.431 -2.384) 4.247 4.694 ( 0.974 1.840 -4.728) 5.166 4.706 ( -4.068 -0.955 -0.502) 4.209 4.768 ( 0.082 0.202 -1.038) 1.061 4.876 ( 0.790 -3.409 0.751) 3.579 4.986 ( 6.727 -2.860 -0.813) 7.354 5.032 ( 7.876 0.897 -3.475) 8.655 5.170 ( -0.689 0.921 1.192) 1.657 5.185 ( 1.948 1.183 -2.073) 3.080 5.233 ( 3.834 1.449 -4.306) 5.944 5.305 ( 3.644 -0.263 -4.676) 5.934 5.340 ( -10.866 2.982 1.223) 11.334 5.387 ( -3.027 0.744 -3.976) 5.052 5.432 ( 1.405 3.587 0.637) 3.905 5.476 ( 0.947 -7.636 -3.784) 8.575 5.592 ( 4.834 -3.181 0.013) 5.787 5.598 ( -0.292 -2.964 0.611) 3.041 5.702 ( 3.785 -2.210 0.623) 4.428 5.743 ( -0.048 -7.974 -4.439) 9.126 5.891 ( 1.761 3.730 2.407) 4.775 5.928 ( 6.229 -2.678 2.367) 7.181 5.993 ( 3.057 5.070 2.452) 6.409 6.129 ( 8.353 1.629 0.219) 8.513 6.232 ( 7.484 -0.051 -0.021) 7.484 6.279 ( 7.801 1.084 1.673) 8.051 6.469 ( 6.507 6.413 3.131) 9.657 6.582 ( 6.821 6.437 3.374) 9.967 6.723 ( 3.131 3.248 2.973) 5.403 6.900 ( 3.546 2.689 1.779) 4.792 6.929 ( -1.639 4.591 0.083) 4.875 6.998 ( 1.329 3.694 -2.366) 4.584 7.101 ( -2.357 -0.848 2.425) 3.487 7.198 ( -1.740 1.507 -1.877) 2.970 7.212 ( 2.882 -3.682 -3.565) 5.880 7.310 ( -5.900 -5.526 0.038) 8.084 7.372 ( 2.683 -0.643 -0.787) 2.869 7.514 ( 3.051 -3.237 5.612) 7.161 7.636 ( -0.919 4.070 0.410) 4.192 7.776 ( 2.457 -0.204 0.295) 2.483 7.811 ( 2.730 -0.878 2.003) 3.498 7.840 ( 2.371 -0.119 -1.312) 2.712 8.282 ( 2.662 4.245 1.005) 5.110 8.388 ( 1.501 3.941 -0.403) 4.236 8.436 ( -2.606 -6.237 1.817) 7.000 8.473 ( -4.323 -1.833 -1.281) 4.867 8.637 ( -0.842 -0.441 -0.977) 1.363 8.661 ( -0.179 -0.071 -1.781) 1.792 8.755 ( -0.748 2.381 0.930) 2.663 8.839 ( 1.023 -0.289 -5.160) 5.268 8.931 ( -2.532 -4.842 5.043) 7.436 8.962 ( -3.904 -0.089 3.582) 5.299 9.020 ( 0.793 -3.257 -3.906) 5.147 9.072 ( -3.459 0.834 -2.594) 4.404 9.117 ( -2.651 0.115 -2.775) 3.839 9.195 ( -0.559 0.230 1.044) 1.206 9.306 ( 1.402 5.490 -1.187) 5.789 9.334 ( -0.642 7.392 5.332) 9.137 9.470 ( -8.263 5.502 -1.467) 10.035 9.503 ( -5.717 3.530 -2.447) 7.151 9.638 ( -2.256 1.501 3.301) 4.270 9.697 ( -2.176 0.840 3.807) 4.465 9.770 ( -4.038 -0.321 3.947) 5.656 9.830 ( 3.995 3.520 -10.181) 11.489 9.937 ( -0.498 -3.559 2.618) 4.446 9.993 ( 2.102 0.673 3.749) 4.351 10.043 ( 3.880 -2.617 2.131) 5.142 10.167 ( 3.840 2.092 -2.149) 4.872 10.200 ( 1.872 -4.910 1.585) 5.488 10.417 ( 0.199 -8.791 -3.545) 9.481 10.436 ( 7.967 -2.567 -0.505) 8.386 10.510 ( -0.667 -6.387 2.587) 6.923 10.676 ( 6.868 3.674 -8.178) 11.293 10.951 ( 4.553 -0.951 1.010) 4.760 11.106 ( -0.666 2.359 -2.669) 3.624 11.274 ( -0.513 1.380 3.898) 4.167 11.476 ( -3.527 -2.626 2.020) 4.839 11.546 ( -5.296 -5.804 -12.068) 14.401 11.581 ( -5.046 3.251 2.844) 6.642 11.627 ( -4.999 0.555 3.302) 6.017 11.867 ( -8.569 -2.792 -2.735) 9.418 11.888 ( -0.906 -0.793 3.900) 4.082 11.912 ( -0.974 -6.156 -3.439) 7.119 12.010 ( -7.492 2.869 -1.218) 8.115 12.110 ( -6.611 3.191 -3.523) 8.142 12.163 ( -2.801 -2.559 1.962) 4.271 12.352 ( -6.724 -1.808 -1.448) 7.112 12.481 ( -2.684 7.795 -1.225) 8.335 12.643 ( -9.082 -9.075 2.323) 13.047 12.888 ( -4.474 -2.464 5.466) 7.481 12.984 ( -3.316 -1.293 -7.011) 7.862 13.085 ( -0.655 -0.245 -0.105) 0.707 13.179 ( -4.996 -0.780 -8.195) 9.629 13.321 ( -9.251 2.126 4.133) 10.353 13.398 ( -4.190 -3.376 -2.772) 6.053 13.622 ( -6.177 0.010 4.445) 7.610 13.953 ( -12.200 -1.356 1.161) 12.330 13.972 ( -6.856 -4.200 -3.159) 8.638 14.236 ( 9.000 6.408 5.770) 12.464 14.354 ( 0.294 0.326 4.159) 4.182 14.470 ( 1.904 6.154 -4.408) 7.806 14.628 ( 6.988 0.141 -7.195) 10.031 14.911 ( 1.625 4.119 -2.343) 5.010 15.092 ( -3.987 0.769 1.293) 4.261 15.236 ( 6.848 -2.873 10.611) 12.952 15.447 ( 6.679 -3.340 -4.688) 8.818 15.551 ( 8.319 -1.167 4.772) 9.661 15.607 ( 9.339 -1.761 -0.930) 9.549 15.719 ( 9.910 -1.243 -1.582) 10.112 15.728 ( 9.317 -1.612 -0.171) 9.457 20.110 ( -4.820 -0.563 -0.614) 4.891 20.139 ( -3.856 -0.840 -0.742) 4.016 20.175 ( -5.183 -2.124 0.969) 5.685 20.362 ( -3.524 -8.118 -6.484) 10.971 21.005 ( -2.878 3.527 -1.456) 4.780 21.037 ( -7.773 1.571 0.998) 7.993 21.216 ( 2.571 8.177 1.775) 8.753 21.264 ( -3.056 0.268 1.984) 3.654 21.335 ( -2.949 1.115 -2.036) 3.753 21.554 ( 4.475 9.685 -5.030) 11.795 21.685 ( -1.555 2.065 -1.236) 2.865 21.794 ( 1.028 9.402 -3.570) 10.109 21.866 ( -2.310 -1.481 0.308) 2.761 22.028 ( -7.995 1.496 -0.914) 8.184 22.324 ( 9.978 -12.131 5.425) 16.617 22.664 ( 7.964 1.107 3.190) 8.650 22.793 ( -1.787 -2.202 -4.032) 4.929 22.813 ( 1.860 -3.886 -2.540) 5.001 22.934 ( 6.694 1.547 3.475) 7.699 23.043 ( 0.603 2.418 -1.163) 2.750 23.489 ( -2.608 -3.057 6.254) 7.434 23.518 ( 1.210 -5.333 10.102) 11.487 23.924 ( 15.913 12.228 6.433) 21.075 24.382 ( 18.248 -2.709 -4.338) 18.952 26.242 ( -3.451 0.187 1.466) 3.754 26.245 ( -3.033 0.424 -1.000) 3.221 26.304 ( -4.969 -0.766 1.731) 5.317 26.423 ( -2.592 -4.514 -5.331) 7.451 ======================= Grid point 83 (47/54) ======================= q-point: (-0.14 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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| 0.948 ( -15.016 9.800 12.086) 21.624 1.265 ( -16.668 11.106 19.570) 28.003 1.460 ( -1.363 -2.568 -15.528) 15.798 1.816 ( -13.738 6.651 -7.324) 16.929 1.903 ( -19.616 14.026 -1.748) 24.178 1.999 ( 1.823 -3.338 -1.646) 4.144 2.142 ( -10.073 8.996 -8.667) 16.047 2.253 ( -0.582 -0.223 -7.690) 7.715 2.303 ( -1.443 -10.305 4.832) 11.473 2.416 ( -1.423 -9.054 0.975) 9.217 2.471 ( 1.458 -1.538 -2.834) 3.539 2.577 ( -0.261 -3.537 1.371) 3.803 2.659 ( -1.439 -0.135 3.444) 3.734 2.686 ( 1.522 -0.013 2.175) 2.654 2.776 ( -4.307 0.779 3.655) 5.703 2.838 ( -2.382 1.088 2.722) 3.777 2.903 ( -0.423 0.086 1.069) 1.153 2.982 ( -2.813 6.203 0.749) 6.852 2.985 ( 1.689 0.255 2.351) 2.906 3.044 ( 1.146 1.433 3.664) 4.097 3.080 ( 1.294 4.488 -3.952) 6.118 3.136 ( -7.361 3.502 1.978) 8.389 3.167 ( -0.331 1.719 3.124) 3.581 3.286 ( 3.495 -1.863 0.127) 3.962 3.289 ( -1.661 -1.437 0.400) 2.233 3.417 ( -3.843 0.100 3.666) 5.312 3.444 ( -2.149 0.571 -6.483) 6.854 3.509 ( 3.772 2.125 0.731) 4.390 3.571 ( 4.876 2.551 -3.552) 6.549 3.605 ( 4.180 3.111 3.365) 6.203 3.687 ( -5.227 5.782 -4.332) 8.917 3.697 ( 6.073 -0.683 -4.150) 7.387 3.797 ( -3.704 5.187 -8.744) 10.821 3.901 ( -4.522 -0.248 3.462) 5.700 3.992 ( -1.175 -1.015 4.090) 4.375 4.090 ( -5.735 -4.025 -3.137) 7.676 4.103 ( -1.588 -2.897 0.264) 3.314 4.166 ( -8.374 -5.215 1.834) 10.034 4.296 ( -5.364 -10.469 5.158) 12.845 4.461 ( -0.549 1.238 -0.736) 1.541 4.521 ( 1.878 4.294 -3.648) 5.939 4.579 ( -0.026 -3.001 0.548) 3.051 4.604 ( 1.214 -1.272 -2.446) 3.013 4.641 ( 2.389 -3.479 4.476) 6.152 4.742 ( 0.907 -0.367 0.060) 0.980 4.759 ( 5.117 -1.011 -2.385) 5.735 4.803 ( 3.531 2.073 0.087) 4.096 4.971 ( 6.909 0.406 -4.118) 8.054 5.004 ( -1.754 0.138 -1.117) 2.084 5.068 ( -9.148 0.999 -2.025) 9.423 5.154 ( 1.242 1.677 -2.017) 2.902 5.174 ( -2.709 -0.157 -4.126) 4.938 5.198 ( 1.355 0.193 1.645) 2.140 5.211 ( 0.759 -2.686 2.485) 3.737 5.284 ( 4.087 -2.460 2.587) 5.427 5.434 ( 3.075 2.357 -1.272) 4.077 5.479 ( 0.212 1.357 -2.918) 3.225 5.532 ( 2.714 -6.753 0.430) 7.291 5.596 ( 2.615 -3.638 -2.409) 5.087 5.677 ( 3.886 1.009 -1.992) 4.482 5.709 ( 4.807 -1.918 -3.989) 6.534 5.863 ( 5.955 -7.456 2.935) 9.983 5.950 ( 3.458 1.653 -1.376) 4.072 6.041 ( 1.851 8.836 1.889) 9.223 6.091 ( 7.131 -2.701 5.025) 9.133 6.266 ( 4.966 -3.914 0.566) 6.348 6.367 ( 7.010 -2.210 -1.072) 7.428 6.407 ( 4.343 -1.823 1.752) 5.025 6.590 ( 4.389 6.985 1.043) 8.315 6.629 ( -0.715 6.104 0.232) 6.150 6.811 ( 0.921 3.130 2.668) 4.215 6.916 ( 0.006 2.358 2.339) 3.322 6.940 ( -2.167 3.589 1.286) 4.386 7.041 ( 4.571 4.953 3.360) 7.531 7.121 ( 3.473 5.851 0.661) 6.836 7.167 ( -4.218 0.055 -0.620) 4.264 7.204 ( 1.139 -1.280 0.437) 1.768 7.243 ( 0.373 -3.637 -0.688) 3.721 7.359 ( -1.308 3.552 -4.149) 5.616 7.557 ( 0.063 4.130 -3.664) 5.521 7.665 ( 1.580 -1.148 7.503) 7.753 7.818 ( 2.372 -2.570 -0.522) 3.536 7.864 ( 1.979 -1.113 -1.512) 2.728 7.975 ( 11.038 -2.624 4.586) 12.237 8.330 ( -2.474 1.473 1.131) 3.093 8.355 ( -4.321 2.655 0.810) 5.136 8.393 ( 1.751 2.770 -3.009) 4.449 8.410 ( -1.287 -3.230 0.436) 3.504 8.639 ( -3.066 -2.225 -3.018) 4.844 8.666 ( 1.408 2.657 0.106) 3.009 8.701 ( -2.709 0.982 -1.365) 3.188 8.760 ( -6.242 3.179 -0.473) 7.021 8.846 ( -8.181 1.262 2.468) 8.638 8.941 ( -8.797 1.792 -7.018) 11.395 8.972 ( 1.497 -3.698 2.492) 4.704 9.008 ( -0.011 1.065 -4.062) 4.200 9.060 ( 0.395 -2.386 -2.298) 3.336 9.128 ( -3.280 -1.615 -0.124) 3.658 9.269 ( -3.585 5.016 1.682) 6.391 9.301 ( -3.708 -0.440 -3.082) 4.842 9.416 ( -1.155 3.952 1.454) 4.367 9.421 ( 1.712 8.224 -1.858) 8.604 9.601 ( -4.781 4.420 3.450) 7.369 9.739 ( 1.726 -1.362 0.050) 2.199 9.812 ( 6.630 1.966 3.206) 7.622 9.862 ( 3.323 2.265 -1.939) 4.464 10.004 ( 4.456 -2.024 3.421) 5.971 10.058 ( 1.916 1.345 4.503) 5.075 10.127 ( 3.238 -2.646 0.377) 4.199 10.159 ( 0.752 -6.104 -2.023) 6.474 10.250 ( 0.656 -4.710 0.250) 4.763 10.322 ( -3.257 -2.013 -0.788) 3.909 10.575 ( 7.344 -4.216 -2.167) 8.741 10.584 ( 6.128 -5.240 -0.471) 8.076 10.769 ( 5.852 -0.473 -4.259) 7.253 10.975 ( -0.896 -0.510 -2.931) 3.107 11.165 ( 1.683 3.915 0.738) 4.325 11.197 ( -13.158 1.265 -0.396) 13.224 11.266 ( -3.477 -9.605 -1.714) 10.358 11.452 ( -6.345 -1.817 -0.327) 6.609 11.522 ( -5.759 0.348 4.680) 7.429 11.571 ( -2.563 -1.758 -1.713) 3.548 11.651 ( -8.646 0.837 -1.441) 8.805 11.760 ( -9.824 -4.169 0.431) 10.681 11.861 ( -0.420 -7.166 -3.265) 7.886 11.930 ( -3.513 -0.691 -5.016) 6.163 12.004 ( -1.542 1.696 -0.034) 2.292 12.146 ( -5.941 -2.424 0.170) 6.419 12.222 ( -2.806 1.829 3.285) 4.691 12.431 ( -13.008 -0.155 5.351) 14.066 12.499 ( 3.580 1.823 -1.231) 4.202 12.860 ( -0.807 -0.127 -6.990) 7.038 12.907 ( -2.200 4.812 2.220) 5.738 12.960 ( -7.938 4.850 -0.660) 9.326 13.097 ( 0.874 4.071 -9.001) 9.917 13.204 ( -5.762 -3.171 0.724) 6.616 13.419 ( 6.491 -1.946 0.949) 6.843 13.557 ( -6.862 -3.586 6.968) 10.416 13.744 ( -10.480 -1.560 3.585) 11.185 13.774 ( -9.011 -3.481 -2.752) 10.045 14.314 ( -0.471 -1.532 0.620) 1.719 14.446 ( 0.645 1.668 1.384) 2.261 14.462 ( 2.343 3.889 3.049) 5.469 14.673 ( 3.638 -1.902 -6.132) 7.379 14.972 ( 4.323 7.300 -0.311) 8.490 15.038 ( -1.937 4.998 0.059) 5.360 15.389 ( 2.242 -4.982 8.425) 10.042 15.513 ( 4.228 -3.531 -4.950) 7.406 15.739 ( 8.102 0.221 3.816) 8.958 15.803 ( 9.993 -0.836 0.773) 10.058 15.862 ( 6.125 -0.904 -1.646) 6.407 15.887 ( 7.383 -0.853 -0.719) 7.467 20.020 ( -3.592 -0.090 -1.078) 3.752 20.065 ( -4.526 -2.899 -0.037) 5.375 20.095 ( -2.978 -0.217 -0.360) 3.008 20.198 ( -8.040 -2.189 -4.668) 9.551 20.934 ( -3.822 3.463 1.678) 5.424 20.960 ( -1.229 3.143 -1.403) 3.654 21.214 ( -3.492 -1.701 2.475) 4.606 21.247 ( -1.905 3.729 0.270) 4.196 21.291 ( 1.317 6.211 0.771) 6.395 21.539 ( -0.486 17.023 -9.183) 19.348 21.700 ( 2.117 0.521 1.927) 2.910 21.793 ( 0.184 3.438 -0.646) 3.503 21.828 ( -0.884 4.160 -1.654) 4.564 21.924 ( -3.777 -1.535 -0.077) 4.078 22.492 ( 5.311 -10.757 4.584) 12.842 22.732 ( 0.687 -6.398 -3.063) 7.127 22.814 ( 3.269 -2.726 1.151) 4.409 22.835 ( 1.483 -4.545 -1.621) 5.048 22.977 ( -0.527 1.986 -2.619) 3.328 23.076 ( 0.824 1.413 -2.957) 3.379 23.525 ( 5.142 2.922 11.320) 12.772 23.723 ( 9.378 -5.350 0.065) 10.797 24.328 ( 19.535 3.398 14.638) 24.646 24.655 ( 14.110 -2.048 -4.147) 14.849 26.182 ( -3.701 0.210 0.928) 3.821 26.189 ( -2.132 0.071 -0.577) 2.210 26.222 ( -4.431 -0.619 0.799) 4.545 26.280 ( -8.720 -3.472 -4.743) 10.516 ======================= Grid point 84 (48/54) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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| 1.038 ( -0.330 9.020 5.805) 10.732 1.203 ( -0.161 -7.264 -10.644) 12.887 1.501 ( -1.469 15.688 10.403) 18.881 1.670 ( 0.279 -0.141 -6.376) 6.384 1.842 ( -0.636 -3.089 -2.856) 4.254 1.889 ( 0.584 -7.092 -6.449) 9.603 2.260 ( 1.026 -2.934 0.258) 3.119 2.302 ( 3.974 2.245 -3.350) 5.662 2.321 ( 3.888 5.776 -1.687) 7.164 2.357 ( 1.300 1.119 1.602) 2.347 2.378 ( -2.698 5.152 -5.028) 7.688 2.448 ( -2.620 2.611 -6.699) 7.652 2.718 ( -0.049 -0.912 7.476) 7.531 2.749 ( -1.125 -3.412 3.509) 5.022 2.835 ( 2.988 4.899 2.117) 6.117 2.876 ( -2.976 4.421 0.329) 5.339 2.912 ( 5.131 0.281 2.245) 5.608 2.967 ( -1.825 -0.348 -2.195) 2.876 3.025 ( -1.247 0.959 5.708) 5.921 3.064 ( -1.044 -1.484 1.454) 2.325 3.083 ( -3.225 1.329 0.914) 3.606 3.117 ( -0.650 -1.962 -2.839) 3.512 3.238 ( -1.580 1.268 0.620) 2.119 3.259 ( 2.377 0.119 -2.301) 3.310 3.306 ( -0.859 1.653 2.968) 3.504 3.352 ( 2.614 -5.572 -1.168) 6.264 3.458 ( 1.323 10.713 9.678) 14.497 3.589 ( -3.908 2.248 3.360) 5.623 3.650 ( 1.779 0.440 -0.049) 1.833 3.696 ( 1.704 -0.456 -2.714) 3.237 3.719 ( -1.745 2.602 -0.059) 3.133 3.774 ( 4.901 -5.492 6.189) 9.617 3.808 ( -5.257 2.234 -4.376) 7.196 3.858 ( -1.923 -0.929 -1.083) 2.395 3.916 ( 4.767 4.300 2.723) 6.973 3.926 ( -4.996 -0.063 0.379) 5.011 4.001 ( 0.693 -3.002 1.670) 3.505 4.029 ( 0.343 -5.758 -0.106) 5.769 4.205 ( 0.476 2.821 1.252) 3.123 4.372 ( -1.032 -11.935 -9.438) 15.250 4.534 ( 2.472 1.083 0.753) 2.802 4.552 ( -1.010 0.587 -1.404) 1.827 4.616 ( 0.872 1.068 1.610) 2.120 4.654 ( 0.979 -4.277 -0.395) 4.406 4.749 ( 4.307 -0.713 1.624) 4.658 4.755 ( 3.003 -0.925 1.626) 3.538 4.849 ( -3.527 2.446 -5.245) 6.777 4.871 ( -5.217 -0.516 -6.831) 8.611 5.006 ( -0.681 -0.581 -0.191) 0.915 5.029 ( -2.765 -2.516 -2.244) 4.360 5.101 ( 2.539 4.818 -1.680) 5.699 5.138 ( -1.728 1.014 -4.718) 5.126 5.222 ( 0.245 -2.241 2.753) 3.558 5.244 ( 1.709 -4.237 0.708) 4.623 5.308 ( 3.432 -0.620 -1.214) 3.692 5.346 ( -1.701 -4.988 -5.983) 7.973 5.481 ( -1.055 1.068 4.498) 4.742 5.544 ( -0.212 -3.464 7.512) 8.275 5.599 ( 0.201 4.905 -4.179) 6.447 5.673 ( -1.041 -2.156 -3.373) 4.136 5.808 ( 0.336 -1.772 -0.411) 1.850 5.812 ( 2.911 -1.767 0.200) 3.412 6.045 ( 0.890 1.661 1.965) 2.723 6.075 ( -2.002 -0.883 -0.595) 2.267 6.199 ( -0.239 2.269 4.019) 4.622 6.236 ( -0.961 -0.972 0.814) 1.591 6.401 ( -1.102 0.014 -0.309) 1.145 6.421 ( 1.164 -1.532 -1.755) 2.605 6.734 ( 1.457 7.668 0.273) 7.810 6.756 ( -2.655 7.754 -1.985) 8.433 6.857 ( -0.682 -4.149 2.061) 4.682 6.887 ( -2.115 -5.440 -0.867) 5.901 6.991 ( 1.668 5.914 5.675) 8.365 7.061 ( -1.148 0.749 -0.108) 1.376 7.139 ( -4.528 -0.999 3.863) 6.035 7.197 ( 3.914 -4.308 -0.401) 5.835 7.291 ( 1.458 4.486 4.723) 6.675 7.348 ( 4.815 -0.141 6.325) 7.950 7.417 ( 0.231 4.979 -5.509) 7.429 7.505 ( -4.008 -3.390 -6.323) 8.219 7.750 ( 0.452 0.327 1.198) 1.321 7.762 ( 0.649 0.339 -0.301) 0.792 8.083 ( 7.370 6.206 4.273) 10.540 8.133 ( 0.740 1.596 0.710) 1.897 8.347 ( 1.902 5.797 1.656) 6.321 8.358 ( 1.105 2.508 0.112) 2.742 8.405 ( 1.917 0.604 2.964) 3.581 8.475 ( -4.459 -5.528 -0.050) 7.102 8.512 ( -1.070 1.586 -4.094) 4.519 8.522 ( -9.880 -0.470 -1.923) 10.077 8.635 ( -1.047 -1.456 0.102) 1.796 8.660 ( -0.055 -4.178 -0.836) 4.261 8.825 ( -0.498 2.599 2.787) 3.843 8.853 ( 3.179 -0.112 -0.778) 3.275 8.972 ( -1.226 -0.520 0.231) 1.351 8.989 ( -0.860 -2.155 -1.561) 2.796 9.063 ( 0.006 1.333 -1.516) 2.019 9.076 ( -0.228 -0.101 -2.005) 2.020 9.230 ( -1.691 0.216 0.471) 1.768 9.237 ( -0.157 -0.939 -0.411) 1.037 9.491 ( -1.172 2.434 0.273) 2.715 9.504 ( -0.782 0.997 -0.698) 1.447 9.652 ( -0.236 7.314 6.943) 10.087 9.774 ( -1.483 -0.193 0.504) 1.579 9.904 ( 1.753 1.836 -1.735) 3.075 9.965 ( -0.488 1.976 0.107) 2.038 10.062 ( 1.123 -2.367 4.126) 4.887 10.070 ( 1.962 -2.873 1.295) 3.712 10.129 ( -2.496 -0.009 -1.178) 2.760 10.134 ( 0.449 -0.041 -0.364) 0.580 10.142 ( 0.051 -2.724 -2.281) 3.553 10.204 ( -1.460 -5.943 -5.507) 8.233 10.624 ( 2.106 -0.096 -0.674) 2.214 10.643 ( 2.812 -0.777 -2.303) 3.717 10.839 ( -7.005 -0.072 -2.017) 7.290 10.863 ( 3.352 -1.480 -4.289) 5.641 10.952 ( -2.246 -2.224 0.013) 3.160 10.971 ( 2.358 -3.897 -1.951) 4.955 11.276 ( 1.276 1.146 1.104) 2.040 11.325 ( 3.328 -4.271 -4.219) 6.864 11.471 ( 0.185 0.936 -0.436) 1.049 11.487 ( 1.136 -0.861 -1.923) 2.394 11.598 ( -2.052 0.098 0.973) 2.273 11.632 ( 0.380 -2.967 -2.425) 3.850 11.834 ( 3.010 0.707 5.976) 6.728 11.876 ( 2.335 -2.522 2.731) 4.390 11.952 ( -4.859 0.163 -1.839) 5.199 11.967 ( -3.068 -1.362 -2.704) 4.311 12.293 ( 2.064 0.821 -1.891) 2.917 12.307 ( 2.204 -0.733 -3.200) 3.954 12.680 ( 0.038 5.431 3.392) 6.403 12.757 ( -0.012 -2.468 -3.848) 4.571 13.018 ( 1.372 3.494 3.152) 4.901 13.044 ( -3.951 1.285 0.310) 4.167 13.129 ( -0.258 8.310 4.521) 9.464 13.217 ( 4.080 3.446 -3.750) 6.525 13.408 ( -2.289 -2.032 2.603) 4.018 13.474 ( 7.483 -5.349 -3.375) 9.798 13.604 ( -2.515 -1.763 3.096) 4.361 13.628 ( -0.579 -4.027 1.194) 4.240 14.313 ( -1.822 2.388 4.935) 5.778 14.370 ( -2.671 -2.884 1.080) 4.076 14.565 ( 0.739 2.971 -1.402) 3.367 14.628 ( 0.393 -3.169 -5.971) 6.771 15.137 ( -1.296 7.503 4.887) 9.048 15.198 ( 1.615 4.851 -1.286) 5.272 15.342 ( -2.158 -2.152 6.260) 6.962 15.428 ( 0.420 -7.158 -2.775) 7.688 15.864 ( 0.586 1.309 1.871) 2.357 15.890 ( 0.610 -1.413 0.794) 1.732 15.915 ( -0.177 1.120 -1.126) 1.598 15.938 ( 0.200 -1.035 -1.719) 2.016 19.994 ( 0.018 1.160 0.363) 1.215 20.006 ( 0.654 0.154 -0.927) 1.145 20.068 ( -0.150 -0.358 0.338) 0.515 20.079 ( -0.922 -1.224 -0.890) 1.772 20.975 ( -1.348 3.774 2.239) 4.590 21.005 ( 0.346 1.741 -0.710) 1.911 21.139 ( -1.509 -0.319 2.480) 2.920 21.184 ( 1.518 -3.925 -2.078) 4.693 21.584 ( 2.333 11.086 6.197) 12.913 21.683 ( -0.330 2.529 -1.683) 3.055 21.771 ( -0.015 1.176 -0.416) 1.247 21.818 ( -2.079 -2.109 -2.997) 4.213 21.881 ( 0.827 9.140 3.472) 9.813 21.960 ( -1.324 8.874 -5.018) 10.280 22.359 ( 1.017 -9.483 2.087) 9.763 22.476 ( -1.418 -15.029 -9.216) 17.686 22.827 ( 1.716 0.568 1.265) 2.206 22.840 ( 1.670 -0.604 0.528) 1.853 22.967 ( -0.252 0.320 -2.195) 2.233 22.985 ( -2.517 -1.509 -3.439) 4.521 23.719 ( 0.463 2.725 5.848) 6.468 23.766 ( 0.861 -2.371 1.315) 2.844 24.604 ( 0.569 2.150 5.244) 5.696 24.687 ( 0.203 -5.914 -3.551) 6.901 26.153 ( -0.220 0.614 0.092) 0.659 26.154 ( 0.026 0.611 -0.079) 0.617 26.165 ( -0.616 -0.648 0.120) 0.902 26.166 ( 0.614 -0.657 -0.060) 0.901 ======================= Grid point 85 (49/54) ======================= q-point: ( 0.14 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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| 1.208 ( 13.081 5.571 6.206) 15.514 1.258 ( 12.522 1.048 -5.808) 13.843 1.692 ( 13.069 12.219 11.171) 21.092 1.790 ( 12.764 0.371 -5.334) 13.839 1.848 ( 3.332 -2.841 -1.710) 4.701 1.887 ( 3.826 -5.464 -4.039) 7.798 2.194 ( -4.108 -4.890 -1.389) 6.536 2.261 ( -0.593 -8.916 -5.846) 10.678 2.313 ( 1.322 8.418 -3.301) 9.138 2.378 ( 0.568 1.463 0.983) 1.852 2.412 ( 4.026 6.356 -3.975) 8.509 2.486 ( 3.330 -2.201 0.885) 4.088 2.730 ( -5.919 2.043 1.356) 6.407 2.770 ( -1.933 -3.543 2.040) 4.522 2.801 ( -0.756 5.983 -3.977) 7.224 2.883 ( -0.743 0.986 -0.568) 1.358 2.913 ( 3.409 -1.661 0.162) 3.795 2.956 ( -5.198 -5.681 -1.826) 7.914 3.040 ( -1.896 3.806 7.111) 8.286 3.062 ( 2.384 2.021 2.541) 4.028 3.134 ( 6.466 -2.388 3.049) 7.537 3.155 ( 5.787 -3.376 -0.043) 6.700 3.244 ( 1.595 7.658 1.723) 8.009 3.281 ( 0.967 0.248 -1.977) 2.215 3.338 ( 1.302 0.015 -0.296) 1.335 3.429 ( 5.293 -3.267 -0.051) 6.220 3.550 ( 2.104 5.168 5.285) 7.686 3.559 ( -2.509 2.721 2.585) 4.515 3.600 ( -2.576 3.708 -2.673) 5.247 3.641 ( -8.186 0.979 -3.315) 8.885 3.708 ( 2.965 7.784 -5.943) 10.232 3.719 ( 2.348 8.038 7.112) 10.986 3.826 ( 3.080 4.651 -1.495) 5.775 3.924 ( 6.204 -2.808 6.672) 9.534 3.965 ( 4.725 -3.056 -1.045) 5.723 4.003 ( 7.958 -4.612 -0.850) 9.237 4.078 ( 3.596 -1.470 2.249) 4.489 4.134 ( 7.172 -5.204 1.096) 8.928 4.245 ( 1.063 -1.311 5.272) 5.536 4.300 ( 0.275 -6.078 -7.918) 9.986 4.529 ( -1.152 0.516 -1.809) 2.206 4.556 ( -2.426 -2.135 0.633) 3.293 4.600 ( -7.082 -1.182 -2.645) 7.652 4.624 ( -1.254 -4.310 -2.559) 5.167 4.667 ( 0.095 3.337 -1.603) 3.703 4.761 ( -0.431 -5.023 -3.979) 6.422 4.868 ( -2.501 2.868 1.845) 4.229 4.905 ( 2.309 0.723 0.753) 2.534 4.980 ( 0.345 -1.554 3.623) 3.958 5.016 ( 3.528 -1.407 2.262) 4.420 5.100 ( -0.448 -1.315 -1.900) 2.354 5.136 ( -2.778 -2.320 -3.837) 5.275 5.175 ( -0.652 2.037 -0.845) 2.300 5.234 ( 0.512 0.411 -0.529) 0.843 5.280 ( -0.366 -4.701 -0.442) 4.736 5.298 ( -3.343 -2.523 -2.039) 4.658 5.491 ( -1.508 3.764 2.914) 4.993 5.540 ( -2.492 -1.849 0.514) 3.145 5.609 ( -1.564 0.481 2.055) 2.627 5.614 ( -0.015 0.936 -1.245) 1.558 5.739 ( -4.536 2.384 -2.686) 5.786 5.799 ( -4.180 -5.039 -3.098) 7.243 5.990 ( -4.543 4.101 0.480) 6.139 6.052 ( -3.649 -2.577 1.124) 4.606 6.176 ( -5.373 -0.062 2.855) 6.085 6.189 ( -4.736 -0.252 1.876) 5.100 6.335 ( -5.488 1.687 -0.036) 5.741 6.377 ( -4.871 -2.066 -0.008) 5.291 6.706 ( -1.872 6.681 -0.082) 6.938 6.777 ( 0.989 7.755 1.582) 7.976 6.831 ( -2.355 -5.557 2.218) 6.430 6.865 ( -1.982 -1.528 1.288) 2.814 7.017 ( 0.396 0.026 3.696) 3.718 7.063 ( 1.047 -2.815 0.051) 3.003 7.127 ( 0.192 5.233 0.954) 5.322 7.214 ( -2.537 -0.709 -1.876) 3.233 7.264 ( -2.504 2.423 -2.232) 4.137 7.329 ( -7.596 -2.265 -8.158) 11.374 7.435 ( 1.460 6.349 1.505) 6.686 7.489 ( 2.884 0.300 5.861) 6.539 7.694 ( -5.458 0.664 -0.238) 5.503 7.766 ( -6.113 -4.685 0.274) 7.706 7.909 ( -7.343 7.062 -2.568) 10.506 8.017 ( -8.541 -3.274 -4.876) 10.366 8.362 ( 2.244 1.422 -2.135) 3.409 8.391 ( -1.005 0.871 0.637) 1.474 8.423 ( 3.189 0.207 -1.574) 3.562 8.451 ( 0.642 -0.171 0.903) 1.121 8.546 ( 4.212 3.382 3.620) 6.502 8.623 ( 0.096 -4.029 2.520) 4.753 8.725 ( 8.379 2.740 2.756) 9.236 8.781 ( 10.926 -2.175 0.316) 11.145 8.851 ( 4.283 4.347 0.042) 6.103 8.928 ( 0.118 -3.000 -1.444) 3.331 8.951 ( 1.806 2.064 4.143) 4.969 8.986 ( 3.359 -0.124 1.996) 3.909 9.045 ( -0.114 1.546 0.285) 1.576 9.100 ( 1.520 -3.657 1.094) 4.109 9.239 ( 1.409 3.679 -0.820) 4.024 9.294 ( 4.903 -1.616 1.821) 5.475 9.456 ( -2.014 1.648 2.780) 3.808 9.475 ( -0.286 -0.247 1.953) 1.989 9.705 ( -1.862 8.773 6.593) 11.130 9.788 ( 2.166 6.928 -4.273) 8.422 9.832 ( -6.921 -1.056 -0.526) 7.021 9.936 ( -0.247 -2.622 0.787) 2.748 10.024 ( -4.356 2.108 -0.147) 4.842 10.064 ( -4.188 -4.009 -4.144) 7.126 10.079 ( -1.951 -0.399 2.465) 3.169 10.114 ( -1.797 -2.832 3.433) 4.799 10.151 ( 0.066 -2.961 0.643) 3.030 10.182 ( 2.554 -5.362 -2.343) 6.384 10.518 ( -5.924 -2.260 -3.737) 7.360 10.546 ( -7.279 -4.908 -3.281) 9.371 10.719 ( -2.679 4.318 -0.575) 5.114 10.850 ( -3.178 -8.855 -0.372) 9.415 11.132 ( 10.670 5.465 0.514) 11.999 11.202 ( 16.078 -0.033 -1.284) 16.129 11.279 ( 3.497 2.166 -2.170) 4.651 11.361 ( 0.821 -8.151 -1.915) 8.413 11.507 ( 1.372 3.252 -0.099) 3.531 11.607 ( 8.145 -5.045 -3.017) 10.045 11.665 ( 10.454 3.076 0.074) 10.897 11.713 ( 10.761 -2.699 -0.769) 11.121 11.808 ( -1.174 -0.140 -0.999) 1.548 11.858 ( -0.059 -3.648 -1.795) 4.066 12.005 ( 6.622 2.105 3.330) 7.705 12.056 ( 7.284 -3.133 4.253) 8.998 12.299 ( 1.063 0.902 -3.676) 3.932 12.343 ( 4.526 -4.235 -3.594) 7.165 12.718 ( 2.168 3.852 1.447) 4.651 12.762 ( 2.189 -0.295 -2.661) 3.458 12.982 ( -1.405 7.600 1.477) 7.868 13.063 ( 1.433 2.686 3.314) 4.500 13.150 ( 1.730 0.192 -2.094) 2.723 13.219 ( -2.393 -1.620 -3.603) 4.619 13.419 ( 3.455 5.673 -3.305) 7.420 13.584 ( 6.133 -8.692 -6.105) 12.266 13.668 ( 6.950 1.207 5.004) 8.649 13.731 ( 10.703 -4.565 1.722) 11.763 14.329 ( -0.633 2.576 5.074) 5.725 14.365 ( 0.638 -0.829 5.160) 5.265 14.549 ( -2.057 1.170 -0.795) 2.496 14.587 ( -0.978 -2.637 -4.045) 4.927 15.103 ( -5.341 8.814 3.060) 10.751 15.177 ( -2.355 3.877 -2.707) 5.283 15.325 ( -4.243 -2.542 6.407) 8.094 15.393 ( -2.585 -6.544 -1.958) 7.303 15.808 ( -7.237 0.773 -0.311) 7.285 15.821 ( -7.111 0.912 -1.275) 7.282 15.827 ( -8.713 -0.614 0.023) 8.735 15.852 ( -7.798 -1.661 -0.890) 8.023 20.019 ( 3.139 1.134 -0.219) 3.345 20.043 ( 3.294 -1.281 -0.962) 3.663 20.093 ( 3.259 1.007 0.583) 3.460 20.123 ( 4.243 -1.947 0.776) 4.733 20.985 ( 0.870 3.861 2.349) 4.602 21.026 ( 2.214 0.768 0.049) 2.344 21.163 ( 2.493 1.659 2.018) 3.610 21.233 ( 4.851 -4.741 -1.710) 6.995 21.593 ( -4.250 10.569 -4.659) 12.308 21.663 ( 0.892 7.251 2.923) 7.869 21.758 ( -2.297 0.332 -1.807) 2.941 21.821 ( 2.928 -2.685 3.659) 5.401 21.887 ( -1.414 8.197 0.215) 8.321 21.923 ( -0.282 8.451 0.755) 8.490 22.346 ( -4.883 -12.287 -1.868) 13.353 22.395 ( -2.273 -15.374 0.551) 15.551 22.822 ( -1.715 0.306 -3.173) 3.620 22.831 ( -0.946 -0.648 -2.475) 2.728 22.982 ( 3.426 1.937 0.634) 3.986 23.016 ( 4.247 -1.459 1.838) 4.852 23.673 ( -7.459 1.586 2.967) 8.183 23.696 ( -6.853 -0.770 -2.030) 7.189 24.509 ( -13.153 0.084 2.350) 13.362 24.530 ( -13.529 -2.012 -3.070) 14.019 26.182 ( 2.510 0.430 0.553) 2.606 26.195 ( 3.542 -0.864 0.632) 3.700 26.208 ( 4.837 0.334 -0.429) 4.867 26.221 ( 5.306 -1.067 -0.799) 5.471 ======================= Grid point 86 (50/54) ======================= q-point: ( 0.29 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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| 1.522 ( 17.031 6.898 -2.523) 18.547 1.544 ( 19.327 6.677 3.718) 20.783 1.872 ( 2.243 -5.111 -4.942) 7.455 1.913 ( 3.148 -6.443 6.518) 9.691 1.988 ( 11.664 10.457 -1.849) 15.774 2.072 ( 12.165 9.768 3.101) 15.906 2.194 ( 4.805 -8.839 0.360) 10.067 2.293 ( 7.901 -12.978 -4.702) 15.905 2.349 ( 3.077 1.803 1.752) 3.973 2.402 ( 2.937 -3.463 3.262) 5.591 2.474 ( -2.990 1.527 -0.758) 3.442 2.492 ( 3.263 2.623 0.145) 4.189 2.606 ( -5.061 -0.410 -0.780) 5.137 2.644 ( -11.031 -3.329 0.542) 11.535 2.749 ( -1.877 1.858 -3.300) 4.227 2.816 ( -4.479 -4.042 -2.572) 6.558 2.934 ( 2.843 -1.244 0.562) 3.154 2.969 ( -0.242 -3.072 1.619) 3.481 3.072 ( 1.838 3.507 3.107) 5.033 3.108 ( 0.630 -0.319 0.670) 0.974 3.225 ( 1.128 5.256 -0.293) 5.384 3.239 ( -4.285 0.675 -0.014) 4.338 3.262 ( -1.689 1.901 0.446) 2.581 3.318 ( 0.516 -1.424 4.383) 4.637 3.361 ( 7.976 5.863 4.587) 10.910 3.473 ( -1.746 0.800 -2.326) 3.016 3.494 ( -2.416 1.078 -4.102) 4.882 3.507 ( 2.232 -3.518 -1.400) 4.395 3.583 ( 2.437 3.093 -0.513) 3.971 3.626 ( 3.526 -1.250 -0.701) 3.806 3.806 ( 10.921 11.944 -11.405) 19.799 3.924 ( 7.944 4.775 0.978) 9.319 3.979 ( 11.396 5.820 10.673) 16.663 4.027 ( 5.549 6.147 0.406) 8.291 4.048 ( 5.354 -2.958 -4.105) 7.366 4.114 ( -0.291 2.441 5.105) 5.666 4.161 ( 7.782 -3.249 -1.151) 8.511 4.240 ( 3.413 -4.321 -2.579) 6.080 4.292 ( 1.506 1.399 4.537) 4.981 4.332 ( 2.502 0.547 1.201) 2.828 4.430 ( -1.610 -3.133 -5.289) 6.355 4.479 ( -4.388 -8.274 2.220) 9.625 4.533 ( -1.381 -3.887 -0.998) 4.244 4.576 ( -5.840 -7.107 -0.128) 9.199 4.671 ( -2.803 2.795 -1.606) 4.272 4.699 ( -0.178 0.980 0.200) 1.016 4.805 ( -4.803 1.519 -1.678) 5.310 4.863 ( 0.092 -4.356 -2.125) 4.847 4.964 ( -6.370 2.629 2.217) 7.239 5.005 ( -4.803 -1.341 -0.726) 5.040 5.067 ( 0.351 2.180 1.859) 2.887 5.125 ( -0.701 -3.427 0.305) 3.511 5.223 ( -0.745 0.341 1.375) 1.600 5.231 ( 1.868 -1.261 -1.160) 2.534 5.327 ( 3.477 -1.692 2.045) 4.374 5.346 ( 8.953 -1.298 3.748) 9.792 5.455 ( -2.894 1.786 -0.810) 3.496 5.487 ( -1.370 -0.589 -2.343) 2.777 5.576 ( -2.944 3.843 1.054) 4.954 5.616 ( -0.207 1.776 -2.025) 2.701 5.658 ( -2.692 -0.749 -1.326) 3.093 5.688 ( -3.388 -2.909 -4.681) 6.470 5.888 ( -5.246 2.551 1.005) 5.919 5.971 ( -3.449 -4.296 -0.648) 5.547 6.083 ( -6.287 1.565 4.241) 7.743 6.102 ( -6.102 -0.255 1.052) 6.197 6.226 ( -5.903 2.475 0.744) 6.444 6.271 ( -6.856 -1.508 1.765) 7.238 6.652 ( -4.419 7.029 -0.216) 8.305 6.750 ( -5.448 2.629 -1.444) 6.219 6.777 ( -3.490 0.153 1.945) 3.998 6.847 ( -2.609 -1.778 -0.714) 3.237 7.047 ( -0.201 3.754 3.924) 5.434 7.081 ( 0.055 -0.238 -2.680) 2.692 7.114 ( -4.863 1.132 0.525) 5.021 7.147 ( -0.884 -0.216 -2.983) 3.119 7.166 ( -1.119 -0.487 -2.457) 2.743 7.228 ( 0.730 -3.591 -0.930) 3.780 7.398 ( -6.367 6.637 2.593) 9.555 7.501 ( -5.633 -3.385 1.170) 6.675 7.618 ( -1.570 0.112 3.452) 3.794 7.659 ( -2.198 -3.426 5.459) 6.810 7.875 ( 0.924 1.119 -3.823) 4.089 7.898 ( -1.461 -1.101 -6.086) 6.355 8.358 ( -1.657 3.687 0.643) 4.093 8.407 ( 3.271 -1.464 -2.472) 4.353 8.449 ( 0.150 0.815 -1.251) 1.501 8.480 ( 3.544 -2.181 -3.218) 5.260 8.608 ( 0.754 1.487 0.257) 1.687 8.649 ( 0.091 -1.458 3.279) 3.590 8.791 ( 1.578 4.446 -0.718) 4.772 8.834 ( -1.521 1.537 -0.233) 2.175 8.892 ( -1.571 -3.280 -1.580) 3.966 8.913 ( 0.611 -4.895 -2.812) 5.678 9.038 ( 0.515 2.065 2.293) 3.128 9.070 ( 2.355 0.572 1.036) 2.636 9.121 ( 5.548 3.154 2.924) 7.020 9.180 ( 4.598 -1.666 2.948) 5.710 9.272 ( 2.658 6.542 4.639) 8.449 9.405 ( 4.186 -3.098 4.637) 6.973 9.480 ( 1.228 4.655 4.541) 6.618 9.549 ( 3.689 -0.210 6.588) 7.553 9.664 ( -2.062 3.730 2.768) 5.082 9.722 ( -2.760 0.653 1.468) 3.194 9.817 ( -0.373 2.762 -2.668) 3.858 9.853 ( -5.220 2.779 -0.748) 5.961 9.947 ( -2.775 -1.814 -5.204) 6.170 10.005 ( -1.211 -3.569 -0.759) 3.845 10.074 ( -2.946 1.432 1.113) 3.460 10.127 ( 0.718 -0.524 7.062) 7.118 10.140 ( 3.782 -0.330 -4.121) 5.603 10.231 ( 0.572 -5.960 -0.076) 5.988 10.410 ( -3.199 -1.053 -2.660) 4.292 10.467 ( 0.265 -6.967 -2.767) 7.501 10.660 ( -2.891 4.912 -0.811) 5.757 10.799 ( -2.963 -10.153 -0.123) 10.577 11.208 ( 1.010 8.108 -1.261) 8.267 11.300 ( 1.666 4.790 4.544) 6.809 11.355 ( 1.440 -2.362 -4.874) 5.604 11.435 ( 2.347 -6.881 -1.080) 7.349 11.582 ( 6.883 -2.238 2.892) 7.794 11.636 ( 1.292 -2.833 -0.482) 3.151 11.803 ( 0.901 -1.771 -0.139) 1.992 11.827 ( 4.256 -2.512 -2.333) 5.465 11.959 ( 15.531 4.704 -0.970) 16.257 12.034 ( 14.294 -2.847 -3.474) 14.983 12.139 ( 6.856 4.195 1.894) 8.258 12.209 ( 6.812 -2.356 -0.868) 7.260 12.316 ( 2.828 3.084 -1.266) 4.371 12.428 ( 6.165 -7.425 -1.038) 9.706 12.764 ( 3.172 3.745 -5.394) 7.293 12.801 ( 3.705 -0.716 1.974) 4.258 13.000 ( 0.644 2.824 0.224) 2.905 13.088 ( -7.023 -5.007 -3.850) 9.445 13.144 ( 6.430 4.796 -0.388) 8.031 13.224 ( 7.547 -4.571 0.181) 8.825 13.486 ( 6.102 5.907 -1.568) 8.636 13.620 ( 2.816 -8.146 -3.054) 9.144 13.875 ( 10.023 4.925 4.390) 11.999 13.965 ( 11.574 -4.640 2.715) 12.762 14.361 ( 2.240 4.740 0.278) 5.250 14.428 ( 0.811 -1.765 5.591) 5.919 14.495 ( -3.016 2.223 -0.735) 3.818 14.527 ( -3.808 -0.366 -2.362) 4.497 14.996 ( -7.039 8.170 1.783) 10.931 15.097 ( -3.832 -1.297 -1.564) 4.337 15.267 ( -6.494 -1.219 4.444) 7.963 15.311 ( -5.675 -3.797 0.585) 6.853 15.623 ( -10.480 0.471 -2.159) 10.711 15.635 ( -9.311 -0.793 -2.966) 9.804 15.669 ( -8.402 -0.292 -0.661) 8.433 15.682 ( -9.752 -1.904 0.299) 9.941 20.100 ( 5.313 -0.056 -0.064) 5.314 20.110 ( 4.462 -1.140 -0.484) 4.631 20.167 ( 3.686 1.104 0.529) 3.884 20.208 ( 3.610 -3.141 1.292) 4.956 21.037 ( 2.896 4.074 2.625) 5.646 21.085 ( 3.846 -0.329 1.093) 4.012 21.245 ( 4.490 2.704 1.486) 5.447 21.313 ( 4.058 -3.904 -1.541) 5.838 21.483 ( -3.584 11.661 -4.023) 12.845 21.647 ( -1.295 -5.808 -2.378) 6.408 21.724 ( -2.843 14.979 1.490) 15.319 21.865 ( 1.161 3.842 1.724) 4.368 21.918 ( 0.567 5.060 2.460) 5.655 21.960 ( 5.827 -5.043 1.651) 7.881 22.205 ( -7.559 -6.294 -2.144) 10.068 22.358 ( -5.637 -15.495 7.999) 18.326 22.772 ( -1.168 0.298 -2.712) 2.968 22.790 ( -0.839 -1.662 -3.877) 4.301 23.053 ( 0.977 2.856 -0.552) 3.069 23.075 ( 0.546 0.664 -0.529) 1.010 23.547 ( -5.052 2.083 -0.090) 5.465 23.588 ( 0.068 -2.310 -2.922) 3.725 24.189 ( -18.414 2.833 -4.776) 19.233 24.236 ( -18.774 -2.158 3.294) 19.182 26.240 ( 2.856 1.262 1.014) 3.283 26.267 ( 3.489 -1.193 0.219) 3.694 26.299 ( 4.434 -0.425 0.668) 4.504 26.314 ( 5.155 -1.580 -1.626) 5.631 ======================= Grid point 87 (51/54) ======================= q-point: ( 0.43 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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| 1.767 ( 10.634 7.247 -3.877) 13.440 1.843 ( -1.251 6.268 3.350) 7.216 1.921 ( 15.534 -4.533 -3.625) 16.583 1.998 ( -0.299 -6.369 7.993) 10.225 2.155 ( 10.434 7.507 -3.927) 13.440 2.235 ( 3.151 3.023 0.458) 4.390 2.278 ( 1.524 0.854 2.574) 3.111 2.345 ( -4.755 -2.887 -1.327) 5.719 2.380 ( -5.973 -1.054 3.292) 6.902 2.437 ( 0.903 -3.641 0.605) 3.800 2.464 ( -3.123 -1.035 2.819) 4.332 2.503 ( 0.879 -6.275 1.812) 6.591 2.550 ( 9.831 -4.275 1.452) 10.818 2.637 ( 7.341 -8.411 -0.536) 11.177 2.728 ( 1.420 3.236 -1.230) 3.742 2.781 ( -0.228 -1.857 0.159) 1.878 2.951 ( 0.632 -0.028 -1.766) 1.876 2.965 ( -1.399 0.281 0.078) 1.429 3.014 ( -5.793 2.419 -2.214) 6.657 3.041 ( -7.124 0.102 -0.939) 7.187 3.203 ( 1.200 2.355 2.348) 3.535 3.224 ( 0.170 -0.071 1.179) 1.193 3.274 ( 1.011 3.293 2.632) 4.335 3.348 ( -2.191 -3.321 2.800) 4.865 3.400 ( -4.492 3.073 5.099) 7.457 3.434 ( -2.588 -0.344 -0.793) 2.729 3.519 ( 6.824 2.099 -6.281) 9.509 3.551 ( 3.598 -0.338 -4.776) 5.989 3.689 ( 4.713 -0.657 1.734) 5.064 3.711 ( 5.618 -1.690 4.007) 7.104 3.850 ( 1.137 10.273 -5.794) 11.849 3.958 ( -3.195 -0.524 -6.647) 7.393 4.063 ( 2.267 6.774 2.916) 7.716 4.097 ( -0.470 3.849 -0.849) 3.970 4.159 ( 2.072 5.939 -5.935) 8.649 4.216 ( 0.291 2.890 3.435) 4.498 4.250 ( 2.079 3.036 1.712) 4.058 4.272 ( -0.263 -0.813 -3.506) 3.609 4.314 ( 6.394 3.236 0.715) 7.202 4.327 ( -0.530 -2.084 -1.528) 2.638 4.389 ( -5.365 -0.627 3.053) 6.205 4.476 ( 0.868 1.307 -0.335) 1.605 4.489 ( 0.476 -5.924 6.750) 8.994 4.583 ( 3.277 -7.141 1.211) 7.950 4.652 ( 4.022 -2.637 -1.809) 5.138 4.684 ( -3.165 -4.424 0.119) 5.441 4.778 ( 1.178 0.601 0.220) 1.340 4.792 ( -0.596 0.611 -4.071) 4.160 4.907 ( -3.732 0.585 -0.829) 3.867 4.928 ( -2.409 -1.078 0.535) 2.693 5.060 ( -0.338 4.421 3.934) 5.928 5.121 ( 1.068 -0.762 -0.803) 1.539 5.244 ( 2.303 0.249 -1.307) 2.659 5.254 ( 0.450 -1.218 -1.016) 1.649 5.351 ( -2.284 -0.444 1.448) 2.740 5.383 ( -0.817 0.169 -2.237) 2.387 5.409 ( -4.787 0.892 1.281) 5.035 5.471 ( -0.774 -3.375 1.045) 3.617 5.555 ( -0.211 -1.438 -1.423) 2.034 5.579 ( -2.316 -3.608 -2.219) 4.827 5.680 ( 7.193 0.604 -0.223) 7.222 5.705 ( 8.191 -2.353 0.806) 8.560 5.889 ( 1.221 3.861 2.638) 4.833 5.938 ( -2.000 -1.094 -0.227) 2.291 5.990 ( -5.017 2.009 0.776) 5.460 6.003 ( -3.544 0.496 -0.858) 3.680 6.142 ( -5.191 2.258 3.168) 6.487 6.171 ( -4.443 -0.737 2.054) 4.950 6.565 ( -3.363 8.619 -1.039) 9.309 6.616 ( -5.508 9.310 -3.656) 11.419 6.716 ( -3.282 -4.621 1.432) 5.846 6.771 ( -2.047 -4.159 -3.991) 6.117 7.022 ( -2.963 1.286 -0.437) 3.259 7.042 ( -1.686 -1.145 -1.568) 2.571 7.081 ( 0.856 3.644 3.884) 5.394 7.143 ( 1.269 -0.980 0.453) 1.666 7.205 ( 2.205 0.508 1.624) 2.785 7.267 ( 1.951 -4.690 1.351) 5.256 7.317 ( -2.997 2.650 1.000) 4.124 7.390 ( -4.947 -5.411 -1.359) 7.456 7.658 ( 0.900 1.405 6.787) 6.989 7.682 ( -0.756 -1.269 6.719) 6.879 7.848 ( 0.719 1.389 -6.144) 6.340 7.868 ( 0.667 -0.080 -4.911) 4.957 8.360 ( 1.297 4.843 0.469) 5.036 8.402 ( -1.982 2.051 -1.145) 3.074 8.473 ( 1.955 -0.477 0.064) 2.014 8.509 ( 2.004 -3.554 -3.997) 5.712 8.594 ( -0.968 -0.175 -0.581) 1.143 8.621 ( -2.618 -3.131 -0.533) 4.116 8.778 ( -1.147 2.032 -1.733) 2.907 8.799 ( -2.275 0.171 -4.672) 5.199 8.897 ( 2.131 -2.354 5.058) 5.973 8.925 ( 2.477 -4.831 -0.132) 5.431 9.036 ( -1.110 1.839 0.320) 2.172 9.081 ( -1.250 -2.703 -1.179) 3.203 9.186 ( 0.228 3.647 0.614) 3.705 9.217 ( -0.008 0.857 -0.506) 0.995 9.357 ( 1.984 9.608 6.199) 11.605 9.461 ( -0.753 5.088 3.929) 6.472 9.562 ( 3.752 -3.636 5.309) 7.448 9.620 ( 0.485 0.878 5.562) 5.652 9.689 ( -3.138 -1.236 5.234) 6.227 9.725 ( -2.356 1.643 -2.890) 4.075 9.780 ( 1.968 -4.361 4.287) 6.424 9.800 ( 2.646 -1.359 -0.664) 3.048 9.920 ( -0.783 2.135 -1.861) 2.938 9.968 ( -1.011 -2.692 -3.296) 4.374 10.052 ( 0.130 6.418 1.844) 6.679 10.139 ( 0.492 -2.279 -2.013) 3.080 10.210 ( 0.836 -0.298 1.798) 2.005 10.224 ( 1.539 -1.712 -2.167) 3.161 10.368 ( -0.661 2.530 0.403) 2.646 10.439 ( -4.309 -4.023 1.109) 5.998 10.642 ( 2.930 0.383 -3.557) 4.625 10.726 ( -2.189 -7.635 -4.430) 9.094 11.235 ( 2.434 6.464 -0.356) 6.916 11.328 ( -1.009 -2.060 -5.079) 5.573 11.365 ( 1.027 0.772 5.973) 6.110 11.437 ( 1.748 -5.323 -0.028) 5.603 11.660 ( 0.486 0.709 3.755) 3.852 11.709 ( 3.542 -5.337 1.402) 6.557 11.806 ( -0.091 0.412 -0.575) 0.713 11.875 ( 3.026 -5.814 -5.466) 8.535 12.131 ( 3.405 8.432 0.491) 9.106 12.199 ( 4.882 4.496 0.107) 6.638 12.220 ( 1.152 -0.278 -3.846) 4.024 12.282 ( 3.164 -1.996 -2.983) 4.785 12.391 ( 5.910 5.823 0.470) 8.311 12.521 ( 3.236 -5.180 -1.505) 6.290 12.742 ( -1.033 -0.772 -4.260) 4.451 12.810 ( -6.209 -6.428 -2.432) 9.262 13.011 ( 1.747 -0.892 1.711) 2.603 13.046 ( 4.573 -4.071 -1.229) 6.245 13.244 ( 3.885 3.107 -1.872) 5.315 13.339 ( 2.896 -6.623 -4.708) 8.626 13.635 ( 9.189 5.160 5.193) 11.749 13.701 ( 3.605 -1.831 6.404) 7.573 14.045 ( 6.209 6.608 2.893) 9.517 14.134 ( 3.562 -3.011 4.120) 6.224 14.346 ( -8.658 6.614 -2.521) 11.183 14.408 ( -8.589 -0.380 1.432) 8.716 14.432 ( 2.227 2.289 -1.719) 3.626 14.461 ( 3.656 -0.147 -6.519) 7.475 14.943 ( 0.314 5.301 4.445) 6.925 15.057 ( -1.771 -7.162 1.755) 7.584 15.168 ( -2.781 1.724 -0.095) 3.273 15.213 ( -5.884 -2.401 2.475) 6.820 15.457 ( -5.949 -0.437 0.298) 5.973 15.475 ( -7.142 -2.501 0.122) 7.568 15.548 ( -2.792 -0.018 -2.058) 3.468 15.560 ( -1.638 -1.333 -3.480) 4.071 20.180 ( 2.919 0.093 -0.196) 2.927 20.183 ( 2.320 0.281 0.597) 2.412 20.223 ( 2.446 -1.542 0.214) 2.899 20.250 ( 0.419 -3.653 0.278) 3.688 21.116 ( 3.371 4.074 3.282) 6.223 21.169 ( 3.410 -1.367 2.815) 4.628 21.270 ( -2.497 3.632 -2.072) 4.871 21.319 ( -1.771 -1.586 -2.780) 3.658 21.480 ( 4.862 10.640 1.116) 11.752 21.625 ( -3.152 7.062 -1.831) 7.947 21.699 ( 3.780 -3.594 1.313) 5.379 21.870 ( -2.595 -2.444 1.735) 3.965 21.954 ( -4.926 1.834 -1.279) 5.409 21.975 ( 1.730 0.918 -3.970) 4.427 22.201 ( 6.606 -0.834 6.326) 9.184 22.316 ( -2.338 -11.146 7.271) 13.512 22.759 ( 0.631 -1.000 0.176) 1.195 22.765 ( 0.757 -1.216 -0.898) 1.691 22.943 ( -6.663 4.414 -7.190) 10.751 23.015 ( -5.462 -3.123 -6.115) 8.774 23.574 ( 6.126 7.441 3.009) 10.098 23.696 ( 10.240 -5.368 0.672) 11.581 23.847 ( -14.086 4.529 -4.623) 15.502 23.924 ( -16.012 -3.459 1.866) 16.487 26.285 ( 0.997 1.363 1.318) 2.142 26.310 ( 1.092 -0.938 -0.177) 1.451 26.358 ( 1.362 -0.324 0.680) 1.557 26.377 ( 2.897 -1.970 -1.684) 3.887 ======================= Grid point 88 (52/54) ======================= q-point: (-0.43 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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| 1.738 ( -9.681 3.825 -0.644) 10.429 1.810 ( -7.259 -3.219 1.423) 8.068 1.953 ( -9.377 9.326 0.445) 13.233 2.016 ( -3.089 4.470 2.520) 5.990 2.159 ( -7.910 -1.517 2.846) 8.542 2.215 ( -4.882 -5.179 -2.604) 7.579 2.278 ( 2.159 0.242 3.852) 4.423 2.333 ( -0.154 -4.991 -1.057) 5.104 2.393 ( 4.764 -0.633 0.100) 4.807 2.477 ( 6.266 -4.389 -1.643) 7.825 2.521 ( 6.101 -1.774 -4.312) 7.679 2.528 ( 5.400 -1.599 -4.817) 7.411 2.664 ( -4.692 0.673 -5.497) 7.258 2.684 ( -3.699 1.049 -3.229) 5.022 2.750 ( -0.194 -4.469 -1.611) 4.754 2.771 ( 1.493 -5.019 0.092) 5.237 2.923 ( -0.744 1.144 0.526) 1.463 2.935 ( 2.009 -0.168 2.309) 3.065 2.971 ( 0.949 4.120 2.831) 5.088 3.019 ( 3.868 -0.030 1.181) 4.044 3.197 ( -2.582 1.789 1.895) 3.669 3.252 ( -0.240 -3.081 -1.085) 3.275 3.289 ( -0.130 4.513 0.594) 4.554 3.318 ( 2.147 1.341 2.310) 3.427 3.378 ( -4.806 -0.784 6.970) 8.503 3.407 ( -1.500 -4.754 6.113) 7.888 3.534 ( -1.922 3.943 -6.793) 8.086 3.564 ( 1.787 1.589 -6.553) 6.975 3.689 ( -8.721 5.669 2.405) 10.676 3.765 ( -6.333 0.130 -2.035) 6.653 3.849 ( -1.800 2.524 -2.797) 4.175 3.857 ( 2.756 3.004 -0.505) 4.108 3.977 ( -6.464 7.481 5.697) 11.411 4.070 ( -5.391 -2.231 0.982) 5.917 4.133 ( -2.327 3.102 2.843) 4.808 4.175 ( 3.234 4.228 0.124) 5.324 4.231 ( -4.873 -1.914 2.069) 5.629 4.263 ( -1.028 -2.940 -0.559) 3.165 4.310 ( -5.371 6.960 3.484) 9.457 4.377 ( -9.032 0.234 -0.706) 9.062 4.414 ( 5.722 3.423 0.328) 6.676 4.473 ( 4.829 -1.937 -2.264) 5.675 4.515 ( -3.115 -3.242 5.156) 6.841 4.560 ( 0.342 -6.345 5.333) 8.296 4.649 ( 1.547 0.253 -2.666) 3.093 4.724 ( 3.860 -5.907 -5.860) 9.173 4.803 ( 1.072 1.619 -5.056) 5.416 4.858 ( 4.532 -3.435 -7.290) 9.246 4.907 ( 2.998 2.218 0.806) 3.815 4.942 ( 5.503 -0.845 -0.754) 5.618 5.110 ( 3.846 3.852 -1.012) 5.536 5.138 ( 4.931 1.301 -0.243) 5.105 5.218 ( -0.457 1.519 0.040) 1.587 5.285 ( 1.127 -2.589 -3.380) 4.404 5.352 ( 0.417 -1.742 1.150) 2.129 5.358 ( 0.682 -2.487 -0.972) 2.756 5.426 ( 3.617 1.120 2.551) 4.566 5.461 ( 1.911 -1.077 -2.079) 3.022 5.537 ( 0.408 -1.170 -1.049) 1.623 5.590 ( 4.200 -5.220 -1.925) 6.971 5.709 ( -9.471 2.014 -2.196) 9.929 5.741 ( -8.778 -1.813 -2.916) 9.426 5.897 ( 3.771 1.562 3.466) 5.355 5.910 ( 1.099 0.467 1.241) 1.722 5.955 ( -0.940 2.796 2.417) 3.814 5.994 ( 2.208 -0.550 0.728) 2.389 6.156 ( 4.289 1.354 4.042) 6.047 6.167 ( 3.563 -0.123 1.612) 3.912 6.549 ( 2.308 10.950 0.194) 11.192 6.587 ( 4.590 10.322 -1.360) 11.378 6.707 ( 1.013 -4.563 1.674) 4.964 6.759 ( 3.456 -6.903 -2.741) 8.192 7.003 ( 0.077 1.716 1.286) 2.146 7.028 ( 1.240 -0.622 -0.296) 1.419 7.111 ( -0.589 3.161 3.200) 4.536 7.169 ( 1.533 -0.326 -2.623) 3.056 7.245 ( 0.195 -1.147 2.971) 3.190 7.270 ( -1.008 -0.290 -2.479) 2.692 7.320 ( -1.001 -2.294 -1.050) 2.714 7.333 ( 2.652 -3.982 3.508) 5.933 7.698 ( -1.352 1.671 5.972) 6.347 7.725 ( 0.367 -1.228 6.967) 7.084 7.827 ( 0.979 1.493 -6.366) 6.612 7.841 ( 0.931 0.284 -6.833) 6.902 8.352 ( -2.216 3.597 0.431) 4.247 8.388 ( -0.816 0.531 0.365) 1.040 8.459 ( -0.697 2.483 -0.053) 2.579 8.510 ( -0.748 -1.690 -2.509) 3.116 8.599 ( -0.093 -2.012 -0.226) 2.027 8.611 ( 2.511 -3.147 0.970) 4.141 8.749 ( 0.565 -0.288 -1.667) 1.783 8.780 ( 3.915 -3.037 -2.356) 5.486 8.931 ( -3.782 0.195 0.875) 3.887 8.953 ( -1.231 -2.071 1.711) 2.956 9.037 ( -0.967 0.566 -1.441) 1.825 9.048 ( 3.210 -0.772 1.389) 3.582 9.175 ( -1.662 1.428 1.987) 2.958 9.195 ( -1.444 0.149 0.632) 1.584 9.432 ( 0.050 7.870 2.498) 8.257 9.464 ( 2.254 8.672 0.631) 8.982 9.574 ( -7.242 -1.054 4.299) 8.487 9.650 ( -2.289 -0.150 3.695) 4.349 9.682 ( 1.708 -0.329 1.392) 2.227 9.687 ( 1.515 -4.922 3.439) 6.192 9.805 ( -4.863 -0.156 -0.462) 4.887 9.841 ( -0.209 -4.022 2.337) 4.656 9.916 ( 2.994 1.320 -0.690) 3.344 9.943 ( 1.944 -0.637 -4.873) 5.285 10.059 ( -3.804 4.277 -1.088) 5.827 10.119 ( 0.389 1.176 0.716) 1.431 10.195 ( -1.836 0.369 1.365) 2.317 10.259 ( 1.964 -5.336 -3.005) 6.431 10.343 ( -1.088 2.045 2.027) 3.078 10.396 ( -2.276 -3.579 5.511) 6.954 10.676 ( 5.793 1.256 -7.281) 9.389 10.759 ( 8.616 -5.936 -6.026) 12.075 11.232 ( -3.044 4.388 0.026) 5.340 11.295 ( 0.257 0.161 -2.417) 2.436 11.413 ( 1.945 0.214 1.501) 2.466 11.488 ( 4.147 -5.565 -5.069) 8.594 11.690 ( -1.834 -0.060 4.742) 5.084 11.727 ( -2.311 -2.398 4.949) 5.965 11.787 ( -0.947 1.609 -5.105) 5.435 11.851 ( -0.606 -4.549 -6.599) 8.037 12.109 ( -7.572 3.743 1.417) 8.564 12.134 ( -5.821 1.789 2.838) 6.719 12.247 ( -0.230 3.746 -1.863) 4.190 12.281 ( -1.826 -0.095 -3.485) 3.935 12.448 ( -4.305 0.772 -2.978) 5.292 12.512 ( 0.869 -2.926 -2.621) 4.023 12.661 ( -4.004 0.856 4.161) 5.838 12.783 ( 3.141 -8.244 1.786) 9.001 13.022 ( -2.014 0.611 0.095) 2.107 13.066 ( -1.461 -3.162 -3.440) 4.895 13.269 ( -0.777 -2.811 0.259) 2.928 13.282 ( -3.477 -3.743 -4.601) 6.875 13.676 ( -10.185 6.867 2.108) 12.464 13.765 ( -3.138 -2.547 1.651) 4.366 14.082 ( -7.172 6.780 -2.838) 10.269 14.150 ( -2.111 0.719 -0.569) 2.302 14.218 ( -4.693 4.404 8.802) 10.904 14.287 ( 0.591 -2.440 8.866) 9.215 14.508 ( 7.119 2.435 -6.620) 10.022 14.533 ( 8.509 0.011 -7.596) 11.406 14.993 ( -2.814 2.382 0.785) 3.769 15.036 ( 3.302 -1.215 4.138) 5.431 15.145 ( -1.238 1.257 1.404) 2.255 15.230 ( 6.321 -6.490 0.706) 9.087 15.420 ( 1.562 0.047 2.707) 3.125 15.444 ( 3.109 -2.223 2.141) 4.380 15.558 ( 5.641 0.137 -2.759) 6.281 15.572 ( 5.322 -1.317 -3.262) 6.379 20.170 ( -3.019 0.283 0.491) 3.072 20.192 ( -3.354 -1.720 0.291) 3.780 20.221 ( -0.852 0.834 -0.259) 1.220 20.274 ( 1.338 -4.703 -1.590) 5.142 21.157 ( -3.519 3.259 1.090) 4.919 21.176 ( -4.005 1.746 1.091) 4.503 21.234 ( 0.263 2.080 2.135) 2.993 21.286 ( 1.728 -1.817 -1.084) 2.732 21.509 ( -5.420 10.474 -1.389) 11.875 21.608 ( 5.653 8.047 -0.339) 9.839 21.742 ( -7.185 -9.770 -3.374) 12.588 21.838 ( 7.243 -12.845 3.588) 15.177 21.886 ( -2.818 7.566 4.901) 9.445 21.978 ( -1.670 1.529 -1.852) 2.925 22.284 ( 2.985 8.179 -1.919) 8.915 22.463 ( 13.104 -7.324 -7.465) 16.766 22.782 ( -1.182 1.365 0.068) 1.807 22.808 ( 1.182 0.845 -0.022) 1.454 22.856 ( 0.405 -3.301 1.776) 3.771 22.875 ( 1.334 -3.745 0.276) 3.985 23.536 ( -12.242 5.780 5.684) 14.683 23.631 ( -14.676 -4.409 6.075) 16.484 23.843 ( 15.144 9.216 -3.163) 18.007 23.988 ( 17.454 -6.407 -3.752) 18.968 26.289 ( -1.629 0.906 1.484) 2.383 26.303 ( -1.693 -0.286 -0.111) 1.721 26.356 ( -1.897 0.446 0.184) 1.958 26.392 ( -0.116 -3.125 -2.161) 3.801 ======================= Grid point 89 (53/54) ======================= q-point: (-0.29 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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| 1.474 ( -18.580 7.841 1.348) 20.212 1.590 ( -12.932 -3.713 -3.265) 13.845 1.756 ( -13.283 16.583 8.480) 22.877 1.971 ( -1.811 3.868 -4.461) 6.176 2.034 ( -6.185 -8.009 -1.809) 10.280 2.121 ( -5.890 -9.560 4.362) 12.046 2.265 ( -3.275 -2.888 -3.090) 5.349 2.270 ( -5.386 -2.291 -7.189) 9.270 2.391 ( -8.149 1.354 -4.817) 9.563 2.461 ( -3.527 -4.123 -4.882) 7.299 2.521 ( 2.616 0.948 -3.807) 4.715 2.578 ( -1.661 1.500 -5.985) 6.390 2.628 ( 5.646 0.812 -0.981) 5.788 2.640 ( 3.536 1.944 -0.547) 4.072 2.739 ( 5.782 -4.518 -3.332) 8.059 2.759 ( -0.375 -4.988 1.823) 5.324 2.945 ( -1.243 2.177 -0.019) 2.506 2.985 ( 0.227 -0.584 1.578) 1.698 3.068 ( 3.674 3.499 3.664) 6.258 3.113 ( 3.317 -0.421 1.456) 3.646 3.167 ( -2.220 5.013 1.453) 5.672 3.220 ( -2.233 -0.584 1.199) 2.601 3.275 ( -11.779 5.635 0.778) 13.081 3.335 ( -4.203 7.968 8.920) 12.678 3.360 ( -0.840 -0.586 5.348) 5.445 3.395 ( 1.665 1.379 2.080) 3.000 3.451 ( -1.900 -3.316 3.012) 4.866 3.472 ( -0.925 1.806 -3.411) 3.969 3.579 ( -2.266 5.743 -0.132) 6.176 3.618 ( -3.276 -0.167 -1.734) 3.711 3.728 ( -9.127 1.206 -1.898) 9.400 3.885 ( -12.615 -11.300 7.010) 18.330 3.938 ( -1.746 2.731 0.610) 3.298 3.990 ( -3.122 2.351 2.322) 4.547 4.054 ( -4.761 0.756 0.948) 4.912 4.109 ( -6.784 1.750 4.623) 8.394 4.169 ( -6.795 -0.979 1.854) 7.111 4.233 ( -8.258 -1.983 0.803) 8.531 4.272 ( 3.000 3.933 -3.063) 5.818 4.344 ( 9.558 0.652 -1.287) 9.666 4.446 ( -3.063 -2.072 4.199) 5.595 4.546 ( 1.059 -5.233 -0.459) 5.358 4.556 ( 5.275 -0.967 -2.930) 6.111 4.612 ( 6.540 -2.822 -3.740) 8.045 4.693 ( 1.429 1.244 -5.404) 5.727 4.729 ( 1.382 -0.659 -5.164) 5.386 4.779 ( 4.645 4.395 -1.082) 6.485 4.858 ( 0.601 -2.210 -2.010) 3.047 4.972 ( 4.185 2.199 0.425) 4.747 5.032 ( 5.777 -2.528 -2.218) 6.685 5.193 ( 1.712 0.525 -5.540) 5.822 5.208 ( 2.088 -1.494 -7.481) 7.909 5.211 ( 0.051 2.244 0.982) 2.450 5.268 ( 2.930 -3.714 -2.360) 5.287 5.381 ( -0.682 0.547 -3.108) 3.229 5.402 ( -11.198 2.213 -1.300) 11.489 5.415 ( -1.959 0.986 1.563) 2.693 5.460 ( 1.399 -2.419 -0.325) 2.813 5.545 ( -0.588 -0.860 2.177) 2.413 5.582 ( 5.254 -1.246 2.877) 6.118 5.614 ( 3.775 -1.006 -0.277) 3.916 5.669 ( 3.523 -3.133 -1.639) 4.991 5.907 ( 2.453 2.130 -0.707) 3.325 5.941 ( 1.783 -0.090 2.281) 2.896 6.062 ( 5.816 2.505 4.583) 7.817 6.108 ( 6.924 -2.718 2.876) 7.975 6.257 ( 5.903 2.079 -1.773) 6.505 6.284 ( 6.443 -0.604 -0.217) 6.475 6.642 ( 6.159 10.654 1.871) 12.448 6.696 ( 4.787 5.880 1.244) 7.684 6.767 ( 3.631 -0.251 3.730) 5.211 6.838 ( 5.270 -7.393 -1.389) 9.185 7.024 ( -0.087 3.323 1.960) 3.859 7.076 ( 2.716 1.714 1.776) 3.670 7.099 ( -1.629 1.197 2.579) 3.276 7.171 ( 2.483 -0.074 -4.982) 5.567 7.212 ( -2.811 -2.136 -1.347) 3.779 7.226 ( -1.340 -0.689 -4.009) 4.283 7.374 ( 4.134 1.330 3.507) 5.582 7.433 ( 4.451 -4.698 6.210) 8.969 7.706 ( -0.681 3.436 2.635) 4.383 7.762 ( -0.371 -2.434 3.966) 4.668 7.805 ( 2.090 1.206 -4.747) 5.325 7.831 ( 2.562 -1.132 -5.770) 6.414 8.335 ( -0.707 0.510 2.245) 2.408 8.348 ( -2.721 -2.435 2.443) 4.393 8.451 ( -0.277 3.358 -2.530) 4.214 8.483 ( -0.608 1.633 -1.526) 2.316 8.598 ( -0.443 -0.803 1.123) 1.450 8.653 ( 0.306 -3.821 1.962) 4.306 8.800 ( 2.523 2.720 0.334) 3.725 8.822 ( -0.477 -1.009 0.142) 1.126 8.864 ( -1.015 0.387 -2.003) 2.279 8.937 ( 2.292 -5.201 -2.057) 6.045 9.014 ( -2.736 4.232 3.951) 6.404 9.074 ( -1.874 -1.115 1.390) 2.586 9.147 ( -3.022 2.297 -0.536) 3.834 9.186 ( -2.592 -1.632 1.646) 3.477 9.377 ( -3.041 3.550 -4.567) 6.535 9.448 ( -7.650 -3.747 0.909) 8.567 9.539 ( -0.651 10.857 2.944) 11.267 9.616 ( -3.116 5.076 0.775) 6.006 9.690 ( -2.665 2.119 1.881) 3.890 9.716 ( 3.295 0.952 0.870) 3.539 9.759 ( -2.002 -0.191 0.543) 2.083 9.824 ( 1.821 -7.512 2.916) 8.261 9.924 ( -1.115 4.710 -6.036) 7.737 9.964 ( 3.371 -2.077 3.652) 5.386 10.026 ( 1.595 0.835 2.045) 2.725 10.100 ( -2.511 -5.498 -0.512) 6.066 10.215 ( 1.902 2.002 2.203) 3.532 10.272 ( 0.943 -5.743 -0.928) 5.894 10.385 ( 3.473 -1.065 0.877) 3.737 10.417 ( 3.728 -3.589 -1.622) 5.423 10.755 ( 7.495 5.484 -10.436) 13.970 10.873 ( 7.446 -6.744 -6.717) 12.085 11.179 ( -2.769 5.877 1.736) 6.725 11.274 ( -2.262 -2.480 1.948) 3.881 11.437 ( -1.702 -1.462 -2.280) 3.199 11.456 ( -2.430 -3.550 -10.323) 11.183 11.640 ( -2.629 3.341 -1.603) 4.543 11.685 ( -5.842 5.047 0.310) 7.727 11.725 ( -2.860 -5.889 0.495) 6.565 11.795 ( -3.426 -6.730 -0.712) 7.585 11.946 ( -10.347 3.301 1.948) 11.034 12.008 ( -11.034 -3.038 -0.436) 11.453 12.165 ( -6.954 2.653 -1.511) 7.595 12.179 ( -5.461 2.309 1.053) 6.022 12.321 ( -6.313 0.480 -1.011) 6.411 12.421 ( -7.391 -8.920 0.625) 11.601 12.691 ( -0.262 9.200 1.912) 9.401 12.828 ( 0.194 -4.996 1.666) 5.270 12.984 ( -0.801 1.756 -0.600) 2.021 13.047 ( 2.167 -3.831 1.134) 4.545 13.175 ( -3.450 0.604 -3.647) 5.056 13.224 ( -4.607 -5.425 -0.162) 7.120 13.476 ( -9.383 6.812 -0.447) 11.603 13.590 ( -10.885 -4.752 -0.255) 11.880 13.921 ( -10.893 0.746 -0.302) 10.923 13.948 ( -14.061 -1.229 3.697) 14.590 14.323 ( 2.207 3.318 3.999) 5.646 14.363 ( 1.451 -0.553 7.071) 7.240 14.571 ( 3.864 4.150 -6.990) 9.001 14.618 ( 5.183 -1.318 -7.701) 9.376 14.997 ( 3.058 4.932 2.423) 6.289 15.078 ( 1.725 -3.298 0.961) 3.844 15.232 ( 4.613 4.269 6.152) 8.795 15.350 ( 5.701 -6.966 -0.880) 9.044 15.550 ( 9.538 1.077 3.771) 10.313 15.577 ( 10.235 -1.640 0.855) 10.401 15.697 ( 10.015 -0.519 -1.666) 10.166 15.703 ( 10.051 -1.004 -1.746) 10.251 20.098 ( -4.699 -0.443 -0.077) 4.721 20.105 ( -5.097 -1.462 0.195) 5.306 20.182 ( -3.216 2.162 -0.936) 3.986 20.244 ( -3.233 -4.771 -2.148) 6.150 21.077 ( -4.012 3.173 -0.944) 5.201 21.085 ( -5.361 2.352 0.929) 5.927 21.239 ( -3.371 0.344 3.082) 4.581 21.288 ( -2.846 -3.919 -0.190) 4.847 21.439 ( 0.207 12.024 0.443) 12.034 21.623 ( -0.671 -7.163 -0.368) 7.204 21.734 ( 4.622 10.250 0.017) 11.244 21.863 ( -2.545 3.942 2.442) 5.290 21.923 ( -3.438 -2.179 2.035) 4.551 21.964 ( 4.306 -11.505 0.452) 12.293 22.309 ( 5.414 13.723 -13.652) 20.100 22.566 ( 5.732 -11.609 -13.264) 18.535 22.752 ( 0.214 -0.292 0.046) 0.366 22.768 ( -0.488 -1.649 -1.898) 2.562 22.994 ( 8.218 3.913 6.682) 11.291 23.050 ( 5.527 -1.687 3.360) 6.685 23.443 ( -0.282 -0.251 9.414) 9.422 23.466 ( -6.254 -2.145 8.670) 10.903 24.134 ( 16.743 10.478 0.848) 19.770 24.295 ( 17.931 -6.918 -2.771) 19.418 26.249 ( -3.525 0.514 1.297) 3.791 26.254 ( -3.339 0.273 -0.099) 3.352 26.296 ( -4.469 0.554 0.006) 4.503 26.339 ( -3.968 -3.913 -2.709) 6.197 ======================= Grid point 90 (54/54) ======================= q-point: (-0.14 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 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| 1.162 ( -14.990 12.388 2.516) 19.608 1.352 ( -8.316 -6.898 -8.530) 13.766 1.585 ( -12.902 18.827 11.233) 25.438 1.878 ( -14.396 -1.892 -6.505) 15.910 1.896 ( -2.609 -2.976 -4.155) 5.738 1.950 ( -4.152 -11.337 -4.808) 12.995 2.183 ( 4.345 -3.362 -2.610) 6.082 2.212 ( 1.137 -3.957 -1.274) 4.310 2.307 ( -0.547 7.826 -2.787) 8.326 2.386 ( -1.799 -2.106 -2.599) 3.798 2.475 ( -2.081 7.773 -6.042) 10.063 2.547 ( -1.584 1.096 -4.604) 4.991 2.703 ( 2.154 0.713 4.302) 4.863 2.737 ( 5.597 3.999 0.071) 6.880 2.780 ( -3.898 -3.327 7.369) 8.976 2.809 ( -1.685 4.104 -0.013) 4.436 2.885 ( 2.735 -0.649 3.605) 4.572 2.969 ( -0.559 -2.710 -0.269) 2.780 3.056 ( -6.638 4.443 3.782) 8.837 3.114 ( -2.134 2.960 3.045) 4.753 3.139 ( 0.147 0.965 -1.441) 1.740 3.158 ( -4.007 -0.053 -0.396) 4.027 3.234 ( 0.788 0.136 -1.086) 1.349 3.296 ( -2.947 3.020 -0.416) 4.240 3.341 ( -5.004 8.620 5.574) 11.420 3.354 ( -1.956 -5.625 1.336) 6.103 3.436 ( -4.370 -0.506 1.423) 4.623 3.561 ( 3.163 2.847 3.790) 5.698 3.597 ( 3.397 -3.960 2.379) 5.734 3.610 ( 4.578 -0.229 0.364) 4.598 3.690 ( 7.288 -1.607 0.760) 7.502 3.722 ( -5.857 -7.756 4.927) 10.896 3.847 ( -5.866 8.104 -0.440) 10.014 3.944 ( -4.708 -4.715 0.760) 6.706 3.978 ( -3.827 5.052 -1.032) 6.421 4.011 ( -7.983 -3.483 -2.500) 9.061 4.049 ( -5.960 1.263 3.443) 6.998 4.114 ( -6.663 -2.970 3.725) 8.191 4.221 ( -2.845 5.417 -2.298) 6.536 4.422 ( -0.705 -12.400 1.193) 12.477 4.515 ( 1.321 3.994 -4.015) 5.815 4.580 ( 5.384 -1.261 -2.639) 6.127 4.588 ( 5.674 -1.118 -0.746) 5.831 4.613 ( -1.407 0.134 -5.381) 5.564 4.649 ( -1.142 -0.130 -0.056) 1.151 4.734 ( 1.288 -3.527 -2.354) 4.432 4.905 ( 5.079 6.455 -1.214) 8.303 4.984 ( 3.730 -0.850 -5.283) 6.523 5.018 ( 4.842 2.123 0.546) 5.315 5.063 ( -4.417 -1.942 -1.673) 5.107 5.100 ( 2.263 -3.248 -2.411) 4.635 5.133 ( -5.768 -5.250 -5.583) 9.592 5.220 ( -2.928 3.123 -4.177) 5.981 5.248 ( -0.365 0.406 1.033) 1.169 5.253 ( 0.324 3.215 -0.900) 3.354 5.349 ( 4.635 -6.903 -3.985) 9.220 5.462 ( 1.978 0.473 4.081) 4.560 5.494 ( 0.135 -3.557 0.304) 3.572 5.604 ( 2.655 4.052 1.063) 4.959 5.669 ( 1.860 -1.309 -1.778) 2.887 5.723 ( 5.481 -1.512 1.018) 5.776 5.741 ( 6.265 -1.783 0.520) 6.534 5.981 ( 4.101 2.214 1.216) 4.817 6.035 ( 5.161 -3.431 2.755) 6.782 6.165 ( 1.907 4.638 3.990) 6.408 6.220 ( 2.888 -1.756 0.714) 3.455 6.353 ( 6.377 0.649 -2.687) 6.950 6.377 ( 4.418 -1.539 -1.476) 4.906 6.725 ( 1.016 7.070 -1.594) 7.318 6.772 ( 2.895 8.367 3.143) 9.395 6.842 ( 1.639 -3.142 1.214) 3.746 6.885 ( 1.358 -1.932 -0.709) 2.465 6.988 ( -4.563 2.981 3.292) 6.367 7.090 ( -2.335 -5.762 1.500) 6.395 7.136 ( 2.411 2.724 2.977) 4.700 7.170 ( -1.257 -2.175 2.349) 3.439 7.214 ( 3.221 1.863 -0.679) 3.782 7.235 ( 5.718 1.861 -2.564) 6.537 7.442 ( 0.090 5.443 2.180) 5.864 7.541 ( 1.681 -4.695 4.461) 6.691 7.713 ( 1.310 4.278 -0.836) 4.552 7.770 ( -0.242 -2.324 0.884) 2.499 7.873 ( 8.482 1.850 -2.743) 9.104 7.920 ( 11.033 -3.097 1.965) 11.626 8.328 ( -0.255 -0.021 1.439) 1.461 8.356 ( 0.238 -2.563 3.028) 3.975 8.426 ( -5.044 4.334 0.417) 6.663 8.454 ( 1.956 2.459 -1.271) 3.390 8.595 ( -1.097 -1.258 -1.225) 2.071 8.642 ( -1.269 -5.059 2.777) 5.909 8.747 ( -3.525 3.837 -2.745) 5.889 8.825 ( -5.524 -2.592 -2.877) 6.747 8.842 ( -3.368 2.746 0.807) 4.420 8.896 ( -7.875 -0.575 2.709) 8.348 9.011 ( -0.197 1.665 -0.678) 1.809 9.029 ( -6.769 2.484 -3.319) 7.938 9.061 ( 0.335 1.572 -1.236) 2.028 9.103 ( -2.640 -2.799 1.022) 3.981 9.287 ( -3.028 0.839 -4.603) 5.574 9.316 ( -6.356 -1.345 -0.630) 6.527 9.494 ( -1.595 4.214 0.222) 4.511 9.525 ( -2.337 2.037 -3.983) 5.047 9.679 ( -5.222 4.769 5.823) 9.161 9.785 ( 0.412 -3.468 7.235) 8.034 9.822 ( 8.135 6.250 -2.463) 10.551 9.930 ( 4.557 5.159 1.743) 7.101 9.943 ( 4.306 -6.369 3.353) 8.388 10.007 ( 1.869 -2.914 -2.254) 4.131 10.089 ( 3.387 0.045 2.997) 4.523 10.099 ( 3.201 -1.441 0.216) 3.517 10.208 ( -1.562 0.672 -4.682) 4.981 10.272 ( -0.922 -4.128 -2.917) 5.138 10.501 ( 7.257 -2.773 -2.829) 8.268 10.504 ( 9.392 -2.788 0.086) 9.798 10.797 ( 4.465 3.988 -9.117) 10.907 10.917 ( 3.322 -7.784 -7.864) 11.553 11.131 ( -8.867 1.677 1.581) 9.161 11.184 ( -11.914 -1.849 0.569) 12.070 11.263 ( -6.187 3.363 -1.744) 7.255 11.367 ( -3.457 -7.508 -2.972) 8.784 11.549 ( -5.310 2.885 -2.959) 6.729 11.566 ( -8.495 0.724 0.557) 8.544 11.673 ( -4.968 -1.381 2.885) 5.908 11.712 ( -6.869 -0.787 -4.747) 8.387 11.755 ( -1.157 -0.141 3.066) 3.280 11.854 ( -3.364 -6.108 -1.669) 7.170 12.049 ( -4.607 2.665 -0.506) 5.347 12.098 ( -6.600 -2.708 -0.201) 7.137 12.257 ( 0.361 2.196 1.615) 2.750 12.319 ( -3.233 -5.096 0.233) 6.039 12.674 ( -1.205 9.403 1.537) 9.603 12.804 ( -1.341 -4.968 -3.727) 6.354 12.995 ( -0.837 5.195 -0.145) 5.264 13.075 ( 0.065 1.100 7.290) 7.373 13.128 ( -3.941 1.169 -0.045) 4.111 13.174 ( 3.211 1.042 -3.798) 5.082 13.391 ( 0.800 0.030 -0.218) 0.829 13.461 ( -5.896 -6.529 6.205) 10.765 13.711 ( -10.398 -0.233 0.843) 10.435 13.731 ( -10.901 -1.809 1.750) 11.188 14.330 ( -1.944 3.082 1.984) 4.149 14.406 ( -1.646 -4.338 3.776) 5.982 14.563 ( 1.472 5.598 -5.988) 8.328 14.640 ( 2.624 -2.623 -6.304) 7.315 15.090 ( 2.757 5.713 5.113) 8.148 15.143 ( 4.083 2.708 0.595) 4.936 15.319 ( 0.597 0.251 5.935) 5.970 15.415 ( 2.937 -6.895 -2.610) 7.936 15.758 ( 9.090 1.472 2.587) 9.564 15.784 ( 9.534 -1.267 1.789) 9.783 15.854 ( 7.379 0.182 -1.590) 7.550 15.867 ( 7.900 -1.114 -1.248) 8.076 20.018 ( -3.161 0.339 -0.143) 3.182 20.033 ( -2.878 -1.143 0.088) 3.098 20.107 ( -3.684 1.566 -0.853) 4.093 20.149 ( -4.885 -2.793 -1.784) 5.903 21.006 ( -3.528 3.580 1.729) 5.315 21.023 ( -1.734 2.452 -1.070) 3.188 21.178 ( -4.161 -0.936 2.375) 4.882 21.212 ( -3.242 -3.685 -1.445) 5.117 21.498 ( 3.158 11.574 4.202) 12.711 21.650 ( 1.912 -4.916 2.329) 5.765 21.794 ( 1.355 8.774 -2.582) 9.246 21.840 ( -0.159 6.087 2.351) 6.528 21.875 ( -2.638 -3.034 -0.458) 4.046 21.998 ( 1.021 0.332 -4.337) 4.468 22.324 ( 3.612 1.975 -5.803) 7.114 22.543 ( 1.299 -13.901 -11.064) 17.814 22.783 ( 1.931 -0.815 1.004) 2.324 22.787 ( 2.444 -0.881 1.045) 2.800 23.025 ( -2.757 2.813 -2.952) 4.922 23.069 ( -2.704 -1.741 -3.220) 4.551 23.576 ( 7.941 2.611 10.350) 13.304 23.632 ( 9.332 -3.979 8.105) 12.985 24.433 ( 13.069 7.491 4.682) 15.774 24.571 ( 13.188 -6.797 -2.317) 15.016 26.189 ( -3.361 0.471 0.627) 3.451 26.192 ( -2.929 0.269 -0.306) 2.957 26.210 ( -4.373 -0.407 0.225) 4.397 26.226 ( -5.967 -2.087 -1.697) 6.545 =================== 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 3/31500 10.0 1062.891 1099.638 1311.505 0.000 -2.753 0.000 3/31500 20.0 122.698 111.471 98.105 0.000 1.516 0.000 3/31500 30.0 43.737 37.950 30.902 0.000 0.382 0.000 3/31500 40.0 23.152 19.631 15.590 0.000 0.134 0.000 3/31500 50.0 14.976 12.483 9.815 0.000 0.059 0.000 3/31500 60.0 10.865 8.935 6.991 0.000 0.031 0.000 3/31500 70.0 8.465 6.890 5.374 0.000 0.018 0.000 3/31500 80.0 6.916 5.584 4.347 0.000 0.011 0.000 3/31500 90.0 5.844 4.690 3.645 0.000 0.008 0.000 3/31500 100.0 5.062 4.043 3.139 0.000 0.005 0.000 3/31500 110.0 4.469 3.555 2.758 0.000 0.004 0.000 3/31500 120.0 4.005 3.175 2.462 0.000 0.003 0.000 3/31500 130.0 3.632 2.871 2.226 0.000 0.002 0.000 3/31500 140.0 3.326 2.623 2.034 0.000 0.002 0.000 3/31500 150.0 3.071 2.417 1.874 0.000 0.001 0.000 3/31500 160.0 2.854 2.242 1.739 0.000 0.001 0.000 3/31500 170.0 2.669 2.093 1.624 0.000 0.001 0.000 3/31500 180.0 2.508 1.964 1.524 0.000 0.001 0.000 3/31500 190.0 2.367 1.851 1.437 0.000 0.000 0.000 3/31500 200.0 2.242 1.751 1.361 0.000 0.000 0.000 3/31500 210.0 2.131 1.662 1.293 0.000 -0.000 0.000 3/31500 220.0 2.031 1.583 1.232 0.000 -0.000 0.000 3/31500 230.0 1.941 1.512 1.177 0.000 -0.000 0.000 3/31500 240.0 1.860 1.447 1.127 0.000 -0.001 0.000 3/31500 250.0 1.785 1.388 1.082 0.000 -0.001 0.000 3/31500 260.0 1.717 1.334 1.040 0.000 -0.001 0.000 3/31500 270.0 1.654 1.284 1.002 0.000 -0.001 0.000 3/31500 280.0 1.596 1.238 0.967 0.000 -0.001 0.000 3/31500 290.0 1.542 1.196 0.934 0.000 -0.001 0.000 3/31500 300.0 1.492 1.156 0.904 0.000 -0.001 0.000 3/31500 310.0 1.445 1.119 0.876 0.000 -0.001 0.000 3/31500 320.0 1.401 1.085 0.849 0.000 -0.001 0.000 3/31500 330.0 1.360 1.053 0.824 0.000 -0.001 0.000 3/31500 340.0 1.321 1.022 0.801 0.000 -0.002 0.000 3/31500 350.0 1.285 0.994 0.779 0.000 -0.002 0.000 3/31500 360.0 1.251 0.967 0.758 0.000 -0.002 0.000 3/31500 370.0 1.218 0.941 0.739 0.000 -0.002 0.000 3/31500 380.0 1.187 0.917 0.720 0.000 -0.002 0.000 3/31500 390.0 1.158 0.894 0.702 0.000 -0.002 0.000 3/31500 400.0 1.130 0.873 0.686 0.000 -0.002 0.000 3/31500 410.0 1.104 0.852 0.670 0.000 -0.002 0.000 3/31500 420.0 1.079 0.832 0.654 0.000 -0.002 0.000 3/31500 430.0 1.055 0.813 0.640 0.000 -0.002 0.000 3/31500 440.0 1.031 0.796 0.626 0.000 -0.002 0.000 3/31500 450.0 1.009 0.778 0.613 0.000 -0.002 0.000 3/31500 460.0 0.988 0.762 0.600 0.000 -0.002 0.000 3/31500 470.0 0.968 0.746 0.588 0.000 -0.002 0.000 3/31500 480.0 0.949 0.731 0.576 0.000 -0.002 0.000 3/31500 490.0 0.930 0.717 0.565 0.000 -0.002 0.000 3/31500 500.0 0.912 0.703 0.554 0.000 -0.002 0.000 3/31500 510.0 0.895 0.689 0.543 0.000 -0.002 0.000 3/31500 520.0 0.878 0.676 0.533 0.000 -0.002 0.000 3/31500 530.0 0.863 0.664 0.524 0.000 -0.002 0.000 3/31500 540.0 0.847 0.652 0.515 0.000 -0.002 0.000 3/31500 550.0 0.832 0.641 0.506 0.000 -0.002 0.000 3/31500 560.0 0.818 0.629 0.497 0.000 -0.002 0.000 3/31500 570.0 0.804 0.619 0.488 0.000 -0.002 0.000 3/31500 580.0 0.791 0.608 0.480 0.000 -0.002 0.000 3/31500 590.0 0.778 0.598 0.472 0.000 -0.002 0.000 3/31500 600.0 0.765 0.589 0.465 0.000 -0.002 0.000 3/31500 610.0 0.753 0.579 0.458 0.000 -0.002 0.000 3/31500 620.0 0.741 0.570 0.450 0.000 -0.002 0.000 3/31500 630.0 0.730 0.561 0.444 0.000 -0.002 0.000 3/31500 640.0 0.719 0.553 0.437 0.000 -0.002 0.000 3/31500 650.0 0.708 0.544 0.430 0.000 -0.002 0.000 3/31500 660.0 0.698 0.536 0.424 0.000 -0.002 0.000 3/31500 670.0 0.688 0.528 0.418 0.000 -0.002 0.000 3/31500 680.0 0.678 0.521 0.412 0.000 -0.002 0.000 3/31500 690.0 0.668 0.513 0.406 0.000 -0.002 0.000 3/31500 700.0 0.659 0.506 0.401 0.000 -0.002 0.000 3/31500 710.0 0.650 0.499 0.395 0.000 -0.002 0.000 3/31500 720.0 0.641 0.492 0.390 0.000 -0.002 0.000 3/31500 730.0 0.632 0.486 0.385 0.000 -0.002 0.000 3/31500 740.0 0.624 0.479 0.379 0.000 -0.002 0.000 3/31500 750.0 0.616 0.473 0.375 0.000 -0.002 0.000 3/31500 760.0 0.608 0.467 0.370 0.000 -0.002 0.000 3/31500 770.0 0.600 0.461 0.365 0.000 -0.002 0.000 3/31500 780.0 0.593 0.455 0.361 0.000 -0.002 0.000 3/31500 790.0 0.586 0.450 0.356 0.000 -0.002 0.000 3/31500 800.0 0.578 0.444 0.352 0.000 -0.002 0.000 3/31500 810.0 0.571 0.439 0.347 0.000 -0.002 0.000 3/31500 820.0 0.565 0.433 0.343 0.000 -0.002 0.000 3/31500 830.0 0.558 0.428 0.339 0.000 -0.002 0.000 3/31500 840.0 0.551 0.423 0.335 0.000 -0.002 0.000 3/31500 850.0 0.545 0.418 0.332 0.000 -0.002 0.000 3/31500 860.0 0.539 0.414 0.328 0.000 -0.002 0.000 3/31500 870.0 0.533 0.409 0.324 0.000 -0.002 0.000 3/31500 880.0 0.527 0.404 0.320 0.000 -0.002 0.000 3/31500 890.0 0.521 0.400 0.317 0.000 -0.002 0.000 3/31500 900.0 0.515 0.396 0.313 0.000 -0.002 0.000 3/31500 910.0 0.510 0.391 0.310 0.000 -0.002 0.000 3/31500 920.0 0.504 0.387 0.307 0.000 -0.002 0.000 3/31500 930.0 0.499 0.383 0.304 0.000 -0.002 0.000 3/31500 940.0 0.494 0.379 0.300 0.000 -0.002 0.000 3/31500 950.0 0.489 0.375 0.297 0.000 -0.002 0.000 3/31500 960.0 0.484 0.371 0.294 0.000 -0.001 0.000 3/31500 970.0 0.479 0.367 0.291 0.000 -0.001 0.000 3/31500 980.0 0.474 0.364 0.288 0.000 -0.001 0.000 3/31500 990.0 0.469 0.360 0.285 0.000 -0.001 0.000 3/31500 1000.0 0.465 0.356 0.283 0.000 -0.001 0.000 3/31500 Thermal conductivity related properties were written into "kappa-m755.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:29:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|