----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 16:44:49]------------------------- 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 (4) Number of symmetry operations in supercell: 4 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.494283531008876 0.000000000000000 0.000000000000000 b 0.000000000000000 16.882252810000001 0.000000000000000 c -2.002862323003224 0.000000000000000 7.518218287032662 Atomic positions (fractional): *1 Sr 0.15518316284300 0.99746300478655 0.66246731260439 87.620 *2 Sr 0.85521875319241 0.16755656975258 0.84174250803821 87.620 *3 Sr 0.21273077450417 0.01650953641355 0.18324342380348 87.620 *4 Sr 0.83398025846540 0.83254211429408 0.83508650334426 87.620 *5 Sr 0.23154095467969 0.35282954773517 0.68241318105557 87.620 6 Sr 0.76845904532031 0.85282954773517 0.31758681894443 87.620 7 Sr 0.78726922549583 0.51650953641355 0.81675657619652 87.620 8 Sr 0.16601974153460 0.33254211429408 0.16491349665574 87.620 9 Sr 0.14478124680759 0.66755656975258 0.15825749196179 87.620 *10 Sr 0.18134697535490 0.67869019306030 0.66735380035253 87.620 11 Sr 0.84481683715700 0.49746300478654 0.33753268739561 87.620 12 Sr 0.81865302464510 0.17869019306030 0.33264619964747 87.620 *13 Mg 0.32693203082940 0.85511182915752 0.45572537869776 24.305 *14 Mg 0.65635827254941 0.02342634222498 0.54127686385963 24.305 *15 Mg 0.32673207793035 0.85782691871296 0.95638665497685 24.305 16 Mg 0.67326792206965 0.35782691871296 0.04361334502315 24.305 *17 Mg 0.66775872862984 0.69172023991472 0.54032385632586 24.305 *18 Mg 0.33990955673645 0.19088697349780 0.95643410471743 24.305 19 Mg 0.34364172745059 0.52342634222498 0.45872313614037 24.305 *20 Mg 0.66071366539059 0.02276953961097 0.03783868558245 24.305 21 Mg 0.66009044326355 0.69088697349780 0.04356589528257 24.305 22 Mg 0.67306796917060 0.35511182915752 0.54427462130224 24.305 23 Mg 0.33928633460941 0.52276953961097 0.96216131441755 24.305 24 Mg 0.33224127137016 0.19172023991472 0.45967614367414 24.305 *25 F 0.88878774399974 0.08721387654087 0.58544867491269 18.998 *26 F 0.57122787048128 0.80450724537223 0.55232469166767 18.998 *27 F 0.09779293068516 0.92298812533664 0.92988049745113 18.998 *28 F 0.82943229862794 0.59797560703514 0.09964999989849 18.998 *29 F 0.21444089143874 0.42305707094905 0.94812197751245 18.998 *30 F 0.38396960353992 0.86970220737298 0.21959913052515 18.998 *31 F 0.73007611255360 0.68885978889102 0.80927120653384 18.998 *32 F 0.66369510675736 0.04718548029311 0.79032561714352 18.998 *33 F 0.21246799197052 0.75289849504573 0.40863382795302 18.998 34 F 0.11121225600026 0.58721387654086 0.41455132508732 18.998 35 F 0.42877212951872 0.30450724537223 0.44767530833233 18.998 *36 F 0.09957223671415 0.25745471162778 0.42872064814514 18.998 *37 F 0.56691620451414 0.13253920372924 0.05806258947887 18.998 *38 F 0.41798057036847 0.97146775554468 0.95280655372035 18.998 *39 F 0.54778121185621 0.12820205942248 0.45580677072157 18.998 40 F 0.26992388744640 0.18885978889102 0.19072879346616 18.998 *41 F 0.88639140007606 0.75866334707783 0.12684944056244 18.998 *42 F 0.61561706868325 0.70652313718626 0.28058735487703 18.998 *43 F 0.54882396832837 0.79658614852030 0.97189565730059 18.998 44 F 0.78753200802948 0.25289849504573 0.59136617204698 18.998 *45 F 0.15941432878925 0.76325035409368 0.92829515129825 18.998 *46 F 0.09511927847587 0.58202257311127 0.88458222616992 18.998 *47 F 0.65083858829580 0.00261127109919 0.28844915335328 18.998 48 F 0.90220706931484 0.42298812533664 0.07011950254887 18.998 49 F 0.34916141170420 0.50261127109919 0.71155084664672 18.998 50 F 0.61603039646008 0.36970220737298 0.78040086947485 18.998 51 F 0.45117603167163 0.29658614852030 0.02810434269941 18.998 52 F 0.84058567121075 0.26325035409367 0.07170484870176 18.998 53 F 0.90042776328586 0.75745471162778 0.57127935185486 18.998 *54 F 0.57844626695562 0.46682554072528 0.49324571759747 18.998 55 F 0.78555910856126 0.92305707094905 0.05187802248755 18.998 *56 F 0.82160784441417 0.59617353767968 0.55995961772462 18.998 57 F 0.38438293131675 0.20652313718626 0.71941264512297 18.998 *58 F 0.82921750236545 0.93155630372263 0.59860570466373 18.998 *59 F 0.27241937937452 0.85672634289241 0.69288285164057 18.998 60 F 0.72758062062548 0.35672634289242 0.30711714835943 18.998 61 F 0.17056770137206 0.09797560703514 0.90035000010151 18.998 *62 F 0.91166486362997 0.41800703756929 0.63013584337811 18.998 63 F 0.43308379548586 0.63253920372924 0.94193741052113 18.998 64 F 0.90488072152413 0.08202257311127 0.11541777383008 18.998 65 F 0.17839215558583 0.09617353767968 0.44004038227538 18.998 66 F 0.17078249763455 0.43155630372263 0.40139429533626 18.998 67 F 0.11360859992394 0.25866334707783 0.87315055943756 18.998 68 F 0.45221878814379 0.62820205942248 0.54419322927843 18.998 69 F 0.42155373304438 0.96682554072528 0.50675428240253 18.998 70 F 0.33630489324264 0.54718548029311 0.20967438285648 18.998 71 F 0.08833513637003 0.91800703756929 0.36986415662189 18.998 72 F 0.58201942963153 0.47146775554468 0.04719344627965 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.494283531008876 0.000000000000000 0.000000000000000 b 0.000000000000000 16.882252810000001 0.000000000000000 c -2.002862323003224 0.000000000000000 7.518218287032662 Atomic positions (fractional): *1 Sr 0.15518316284300 0.99746300478655 0.66246731260439 87.620 > 1 *2 Sr 0.85521875319241 0.16755656975258 0.84174250803821 87.620 > 2 *3 Sr 0.21273077450417 0.01650953641355 0.18324342380348 87.620 > 3 *4 Sr 0.83398025846540 0.83254211429408 0.83508650334426 87.620 > 4 *5 Sr 0.23154095467969 0.35282954773517 0.68241318105557 87.620 > 5 6 Sr 0.76845904532031 0.85282954773517 0.31758681894443 87.620 > 6 7 Sr 0.78726922549583 0.51650953641355 0.81675657619652 87.620 > 7 8 Sr 0.16601974153460 0.33254211429408 0.16491349665574 87.620 > 8 9 Sr 0.14478124680759 0.66755656975258 0.15825749196179 87.620 > 9 *10 Sr 0.18134697535490 0.67869019306030 0.66735380035253 87.620 > 10 11 Sr 0.84481683715700 0.49746300478654 0.33753268739561 87.620 > 11 12 Sr 0.81865302464510 0.17869019306030 0.33264619964747 87.620 > 12 *13 Mg 0.32693203082940 0.85511182915752 0.45572537869776 24.305 > 13 *14 Mg 0.65635827254941 0.02342634222498 0.54127686385963 24.305 > 14 *15 Mg 0.32673207793035 0.85782691871296 0.95638665497685 24.305 > 15 16 Mg 0.67326792206965 0.35782691871296 0.04361334502315 24.305 > 16 *17 Mg 0.66775872862984 0.69172023991472 0.54032385632586 24.305 > 17 *18 Mg 0.33990955673645 0.19088697349780 0.95643410471743 24.305 > 18 19 Mg 0.34364172745059 0.52342634222498 0.45872313614037 24.305 > 19 *20 Mg 0.66071366539059 0.02276953961097 0.03783868558245 24.305 > 20 21 Mg 0.66009044326355 0.69088697349780 0.04356589528257 24.305 > 21 22 Mg 0.67306796917060 0.35511182915752 0.54427462130224 24.305 > 22 23 Mg 0.33928633460941 0.52276953961097 0.96216131441755 24.305 > 23 24 Mg 0.33224127137016 0.19172023991472 0.45967614367414 24.305 > 24 *25 F 0.88878774399974 0.08721387654087 0.58544867491269 18.998 > 25 *26 F 0.57122787048128 0.80450724537223 0.55232469166767 18.998 > 26 *27 F 0.09779293068516 0.92298812533664 0.92988049745113 18.998 > 27 *28 F 0.82943229862794 0.59797560703514 0.09964999989849 18.998 > 28 *29 F 0.21444089143874 0.42305707094905 0.94812197751245 18.998 > 29 *30 F 0.38396960353992 0.86970220737298 0.21959913052515 18.998 > 30 *31 F 0.73007611255360 0.68885978889102 0.80927120653384 18.998 > 31 *32 F 0.66369510675736 0.04718548029311 0.79032561714352 18.998 > 32 *33 F 0.21246799197052 0.75289849504573 0.40863382795302 18.998 > 33 34 F 0.11121225600026 0.58721387654086 0.41455132508732 18.998 > 34 35 F 0.42877212951872 0.30450724537223 0.44767530833233 18.998 > 35 *36 F 0.09957223671415 0.25745471162778 0.42872064814514 18.998 > 36 *37 F 0.56691620451414 0.13253920372924 0.05806258947887 18.998 > 37 *38 F 0.41798057036847 0.97146775554468 0.95280655372035 18.998 > 38 *39 F 0.54778121185621 0.12820205942248 0.45580677072157 18.998 > 39 40 F 0.26992388744640 0.18885978889102 0.19072879346616 18.998 > 40 *41 F 0.88639140007606 0.75866334707783 0.12684944056244 18.998 > 41 *42 F 0.61561706868325 0.70652313718626 0.28058735487703 18.998 > 42 *43 F 0.54882396832837 0.79658614852030 0.97189565730059 18.998 > 43 44 F 0.78753200802948 0.25289849504573 0.59136617204698 18.998 > 44 *45 F 0.15941432878925 0.76325035409368 0.92829515129825 18.998 > 45 *46 F 0.09511927847587 0.58202257311127 0.88458222616992 18.998 > 46 *47 F 0.65083858829580 0.00261127109919 0.28844915335328 18.998 > 47 48 F 0.90220706931484 0.42298812533664 0.07011950254887 18.998 > 48 49 F 0.34916141170420 0.50261127109919 0.71155084664672 18.998 > 49 50 F 0.61603039646008 0.36970220737298 0.78040086947485 18.998 > 50 51 F 0.45117603167163 0.29658614852030 0.02810434269941 18.998 > 51 52 F 0.84058567121075 0.26325035409367 0.07170484870176 18.998 > 52 53 F 0.90042776328586 0.75745471162778 0.57127935185486 18.998 > 53 *54 F 0.57844626695562 0.46682554072528 0.49324571759747 18.998 > 54 55 F 0.78555910856126 0.92305707094905 0.05187802248755 18.998 > 55 *56 F 0.82160784441417 0.59617353767968 0.55995961772462 18.998 > 56 57 F 0.38438293131675 0.20652313718626 0.71941264512297 18.998 > 57 *58 F 0.82921750236545 0.93155630372263 0.59860570466373 18.998 > 58 *59 F 0.27241937937452 0.85672634289241 0.69288285164057 18.998 > 59 60 F 0.72758062062548 0.35672634289242 0.30711714835943 18.998 > 60 61 F 0.17056770137206 0.09797560703514 0.90035000010151 18.998 > 61 *62 F 0.91166486362997 0.41800703756929 0.63013584337811 18.998 > 62 63 F 0.43308379548586 0.63253920372924 0.94193741052113 18.998 > 63 64 F 0.90488072152413 0.08202257311127 0.11541777383008 18.998 > 64 65 F 0.17839215558583 0.09617353767968 0.44004038227538 18.998 > 65 66 F 0.17078249763455 0.43155630372263 0.40139429533626 18.998 > 66 67 F 0.11360859992394 0.25866334707783 0.87315055943756 18.998 > 67 68 F 0.45221878814379 0.62820205942248 0.54419322927843 18.998 > 68 69 F 0.42155373304438 0.96682554072528 0.50675428240253 18.998 > 69 70 F 0.33630489324264 0.54718548029311 0.20967438285648 18.998 > 70 71 F 0.08833513637003 0.91800703756929 0.36986415662189 18.998 > 71 72 F 0.58201942963153 0.47146775554468 0.04719344627965 18.998 > 72 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.988567062017752 0.000000000000000 0.000000000000000 b 0.000000000000000 16.882252810000001 0.000000000000000 c -2.002862323003224 0.000000000000000 7.518218287032662 Atomic positions (fractional): *1 Sr 0.07759158142150 0.99746300478655 0.66246731260439 87.620 > 1 2 Sr 0.57759158142150 0.99746300478655 0.66246731260439 87.620 > 1 *3 Sr 0.42760937659621 0.16755656975258 0.84174250803821 87.620 > 2 4 Sr 0.92760937659621 0.16755656975258 0.84174250803821 87.620 > 2 *5 Sr 0.10636538725209 0.01650953641355 0.18324342380348 87.620 > 3 6 Sr 0.60636538725209 0.01650953641355 0.18324342380348 87.620 > 3 *7 Sr 0.41699012923270 0.83254211429408 0.83508650334426 87.620 > 4 8 Sr 0.91699012923270 0.83254211429408 0.83508650334426 87.620 > 4 *9 Sr 0.11577047733984 0.35282954773517 0.68241318105557 87.620 > 5 10 Sr 0.61577047733984 0.35282954773517 0.68241318105557 87.620 > 5 11 Sr 0.38422952266016 0.85282954773517 0.31758681894443 87.620 > 6 12 Sr 0.88422952266016 0.85282954773517 0.31758681894443 87.620 > 6 13 Sr 0.39363461274791 0.51650953641355 0.81675657619652 87.620 > 7 14 Sr 0.89363461274791 0.51650953641355 0.81675657619652 87.620 > 7 15 Sr 0.08300987076730 0.33254211429408 0.16491349665574 87.620 > 8 16 Sr 0.58300987076730 0.33254211429408 0.16491349665574 87.620 > 8 17 Sr 0.07239062340379 0.66755656975258 0.15825749196179 87.620 > 9 18 Sr 0.57239062340379 0.66755656975258 0.15825749196179 87.620 > 9 *19 Sr 0.09067348767745 0.67869019306030 0.66735380035253 87.620 > 10 20 Sr 0.59067348767745 0.67869019306030 0.66735380035253 87.620 > 10 21 Sr 0.42240841857850 0.49746300478654 0.33753268739561 87.620 > 11 22 Sr 0.92240841857850 0.49746300478654 0.33753268739561 87.620 > 11 23 Sr 0.40932651232255 0.17869019306030 0.33264619964747 87.620 > 12 24 Sr 0.90932651232255 0.17869019306030 0.33264619964747 87.620 > 12 *25 Mg 0.16346601541470 0.85511182915752 0.45572537869776 24.305 > 13 26 Mg 0.66346601541470 0.85511182915752 0.45572537869776 24.305 > 13 *27 Mg 0.32817913627470 0.02342634222498 0.54127686385963 24.305 > 14 28 Mg 0.82817913627470 0.02342634222498 0.54127686385963 24.305 > 14 *29 Mg 0.16336603896518 0.85782691871296 0.95638665497685 24.305 > 15 30 Mg 0.66336603896518 0.85782691871296 0.95638665497685 24.305 > 15 31 Mg 0.33663396103482 0.35782691871296 0.04361334502315 24.305 > 16 32 Mg 0.83663396103482 0.35782691871296 0.04361334502315 24.305 > 16 *33 Mg 0.33387936431492 0.69172023991472 0.54032385632586 24.305 > 17 34 Mg 0.83387936431492 0.69172023991472 0.54032385632586 24.305 > 17 *35 Mg 0.16995477836823 0.19088697349780 0.95643410471743 24.305 > 18 36 Mg 0.66995477836823 0.19088697349780 0.95643410471743 24.305 > 18 37 Mg 0.17182086372530 0.52342634222498 0.45872313614037 24.305 > 19 38 Mg 0.67182086372530 0.52342634222498 0.45872313614037 24.305 > 19 *39 Mg 0.33035683269530 0.02276953961097 0.03783868558245 24.305 > 20 40 Mg 0.83035683269530 0.02276953961097 0.03783868558245 24.305 > 20 41 Mg 0.33004522163178 0.69088697349780 0.04356589528257 24.305 > 21 42 Mg 0.83004522163178 0.69088697349780 0.04356589528257 24.305 > 21 43 Mg 0.33653398458530 0.35511182915752 0.54427462130224 24.305 > 22 44 Mg 0.83653398458530 0.35511182915752 0.54427462130224 24.305 > 22 45 Mg 0.16964316730470 0.52276953961097 0.96216131441755 24.305 > 23 46 Mg 0.66964316730470 0.52276953961097 0.96216131441755 24.305 > 23 47 Mg 0.16612063568508 0.19172023991472 0.45967614367414 24.305 > 24 48 Mg 0.66612063568508 0.19172023991472 0.45967614367414 24.305 > 24 *49 F 0.44439387199987 0.08721387654087 0.58544867491269 18.998 > 25 50 F 0.94439387199987 0.08721387654087 0.58544867491269 18.998 > 25 *51 F 0.28561393524064 0.80450724537223 0.55232469166767 18.998 > 26 52 F 0.78561393524064 0.80450724537223 0.55232469166767 18.998 > 26 *53 F 0.04889646534258 0.92298812533664 0.92988049745113 18.998 > 27 54 F 0.54889646534258 0.92298812533664 0.92988049745113 18.998 > 27 *55 F 0.41471614931397 0.59797560703514 0.09964999989849 18.998 > 28 56 F 0.91471614931397 0.59797560703514 0.09964999989849 18.998 > 28 *57 F 0.10722044571937 0.42305707094905 0.94812197751245 18.998 > 29 58 F 0.60722044571937 0.42305707094905 0.94812197751245 18.998 > 29 *59 F 0.19198480176996 0.86970220737298 0.21959913052515 18.998 > 30 60 F 0.69198480176996 0.86970220737298 0.21959913052515 18.998 > 30 *61 F 0.36503805627680 0.68885978889102 0.80927120653384 18.998 > 31 62 F 0.86503805627680 0.68885978889102 0.80927120653384 18.998 > 31 *63 F 0.33184755337868 0.04718548029311 0.79032561714352 18.998 > 32 64 F 0.83184755337868 0.04718548029311 0.79032561714352 18.998 > 32 *65 F 0.10623399598526 0.75289849504573 0.40863382795302 18.998 > 33 66 F 0.60623399598526 0.75289849504573 0.40863382795302 18.998 > 33 67 F 0.05560612800013 0.58721387654086 0.41455132508732 18.998 > 34 68 F 0.55560612800013 0.58721387654086 0.41455132508732 18.998 > 34 69 F 0.21438606475936 0.30450724537223 0.44767530833233 18.998 > 35 70 F 0.71438606475936 0.30450724537223 0.44767530833233 18.998 > 35 *71 F 0.04978611835707 0.25745471162778 0.42872064814514 18.998 > 36 72 F 0.54978611835707 0.25745471162778 0.42872064814514 18.998 > 36 *73 F 0.28345810225707 0.13253920372924 0.05806258947887 18.998 > 37 74 F 0.78345810225707 0.13253920372924 0.05806258947887 18.998 > 37 *75 F 0.20899028518424 0.97146775554468 0.95280655372035 18.998 > 38 76 F 0.70899028518424 0.97146775554468 0.95280655372035 18.998 > 38 *77 F 0.27389060592811 0.12820205942248 0.45580677072157 18.998 > 39 78 F 0.77389060592811 0.12820205942248 0.45580677072157 18.998 > 39 79 F 0.13496194372320 0.18885978889102 0.19072879346616 18.998 > 40 80 F 0.63496194372320 0.18885978889102 0.19072879346616 18.998 > 40 *81 F 0.44319570003803 0.75866334707783 0.12684944056244 18.998 > 41 82 F 0.94319570003803 0.75866334707783 0.12684944056244 18.998 > 41 *83 F 0.30780853434162 0.70652313718626 0.28058735487703 18.998 > 42 84 F 0.80780853434162 0.70652313718626 0.28058735487703 18.998 > 42 *85 F 0.27441198416418 0.79658614852030 0.97189565730059 18.998 > 43 86 F 0.77441198416418 0.79658614852030 0.97189565730059 18.998 > 43 87 F 0.39376600401474 0.25289849504573 0.59136617204698 18.998 > 44 88 F 0.89376600401474 0.25289849504573 0.59136617204698 18.998 > 44 *89 F 0.07970716439463 0.76325035409368 0.92829515129825 18.998 > 45 90 F 0.57970716439463 0.76325035409368 0.92829515129825 18.998 > 45 *91 F 0.04755963923794 0.58202257311127 0.88458222616992 18.998 > 46 92 F 0.54755963923794 0.58202257311127 0.88458222616992 18.998 > 46 *93 F 0.32541929414790 0.00261127109919 0.28844915335328 18.998 > 47 94 F 0.82541929414790 0.00261127109919 0.28844915335328 18.998 > 47 95 F 0.45110353465742 0.42298812533664 0.07011950254887 18.998 > 48 96 F 0.95110353465742 0.42298812533664 0.07011950254887 18.998 > 48 97 F 0.17458070585210 0.50261127109919 0.71155084664672 18.998 > 49 98 F 0.67458070585210 0.50261127109919 0.71155084664672 18.998 > 49 99 F 0.30801519823004 0.36970220737298 0.78040086947485 18.998 > 50 100 F 0.80801519823004 0.36970220737298 0.78040086947485 18.998 > 50 101 F 0.22558801583582 0.29658614852030 0.02810434269941 18.998 > 51 102 F 0.72558801583582 0.29658614852030 0.02810434269941 18.998 > 51 103 F 0.42029283560537 0.26325035409367 0.07170484870176 18.998 > 52 104 F 0.92029283560537 0.26325035409367 0.07170484870176 18.998 > 52 105 F 0.45021388164293 0.75745471162778 0.57127935185486 18.998 > 53 106 F 0.95021388164293 0.75745471162778 0.57127935185486 18.998 > 53 *107 F 0.28922313347781 0.46682554072528 0.49324571759747 18.998 > 54 108 F 0.78922313347781 0.46682554072528 0.49324571759747 18.998 > 54 109 F 0.39277955428063 0.92305707094905 0.05187802248755 18.998 > 55 110 F 0.89277955428063 0.92305707094905 0.05187802248755 18.998 > 55 *111 F 0.41080392220708 0.59617353767968 0.55995961772462 18.998 > 56 112 F 0.91080392220708 0.59617353767968 0.55995961772462 18.998 > 56 113 F 0.19219146565838 0.20652313718626 0.71941264512297 18.998 > 57 114 F 0.69219146565838 0.20652313718626 0.71941264512297 18.998 > 57 *115 F 0.41460875118272 0.93155630372263 0.59860570466373 18.998 > 58 116 F 0.91460875118272 0.93155630372263 0.59860570466373 18.998 > 58 *117 F 0.13620968968726 0.85672634289241 0.69288285164057 18.998 > 59 118 F 0.63620968968726 0.85672634289241 0.69288285164057 18.998 > 59 119 F 0.36379031031274 0.35672634289242 0.30711714835943 18.998 > 60 120 F 0.86379031031274 0.35672634289242 0.30711714835943 18.998 > 60 121 F 0.08528385068603 0.09797560703514 0.90035000010151 18.998 > 61 122 F 0.58528385068603 0.09797560703514 0.90035000010151 18.998 > 61 *123 F 0.45583243181498 0.41800703756929 0.63013584337811 18.998 > 62 124 F 0.95583243181498 0.41800703756929 0.63013584337811 18.998 > 62 125 F 0.21654189774293 0.63253920372924 0.94193741052113 18.998 > 63 126 F 0.71654189774293 0.63253920372924 0.94193741052113 18.998 > 63 127 F 0.45244036076206 0.08202257311127 0.11541777383008 18.998 > 64 128 F 0.95244036076206 0.08202257311127 0.11541777383008 18.998 > 64 129 F 0.08919607779292 0.09617353767968 0.44004038227538 18.998 > 65 130 F 0.58919607779292 0.09617353767968 0.44004038227538 18.998 > 65 131 F 0.08539124881728 0.43155630372263 0.40139429533626 18.998 > 66 132 F 0.58539124881728 0.43155630372263 0.40139429533626 18.998 > 66 133 F 0.05680429996197 0.25866334707783 0.87315055943756 18.998 > 67 134 F 0.55680429996197 0.25866334707783 0.87315055943756 18.998 > 67 135 F 0.22610939407189 0.62820205942248 0.54419322927843 18.998 > 68 136 F 0.72610939407189 0.62820205942248 0.54419322927843 18.998 > 68 137 F 0.21077686652219 0.96682554072528 0.50675428240253 18.998 > 69 138 F 0.71077686652219 0.96682554072528 0.50675428240253 18.998 > 69 139 F 0.16815244662132 0.54718548029311 0.20967438285648 18.998 > 70 140 F 0.66815244662132 0.54718548029311 0.20967438285648 18.998 > 70 141 F 0.04416756818502 0.91800703756929 0.36986415662189 18.998 > 71 142 F 0.54416756818502 0.91800703756929 0.36986415662189 18.998 > 71 143 F 0.29100971481576 0.47146775554468 0.04719344627965 18.998 > 72 144 F 0.79100971481576 0.47146775554468 0.04719344627965 18.998 > 72 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.1715570 0.0000000 -0.0165421 0.0000000 2.2212613 0.0000000 -0.0165416 0.0000000 2.2295146 -------------------------- Born effective charges -------------------------- 1 Sr 2.2881750 -0.1198624 -0.0796945 -0.1107490 2.4550641 -0.0659513 -0.0655522 -0.0696057 2.5342000 2 Sr 2.2588723 0.1173310 -0.0354475 0.1071742 2.5028334 0.0194969 -0.0358559 0.0100680 2.5620802 3 Sr 2.2892947 -0.1280485 -0.0718493 -0.1269011 2.4813310 0.0092527 -0.0816377 0.0088142 2.5965110 4 Sr 2.2792555 0.1222559 -0.1099195 0.1088432 2.4532357 0.0628559 -0.0939711 0.0798601 2.5525343 5 Sr 2.2746963 -0.0403037 -0.0765290 -0.0272505 2.4678227 0.0037205 -0.0942925 0.0200691 2.5850132 6 Sr 2.2746963 0.0403037 -0.0765290 0.0272505 2.4678227 -0.0037205 -0.0942925 -0.0200691 2.5850132 7 Sr 2.2892947 0.1280485 -0.0718493 0.1269011 2.4813310 -0.0092527 -0.0816377 -0.0088142 2.5965110 8 Sr 2.2792555 -0.1222559 -0.1099195 -0.1088432 2.4532357 -0.0628559 -0.0939711 -0.0798601 2.5525343 9 Sr 2.2588723 -0.1173310 -0.0354475 -0.1071742 2.5028334 -0.0194969 -0.0358559 -0.0100680 2.5620802 10 Sr 2.3594728 -0.1250862 -0.0998408 -0.1232972 2.4218654 -0.0199756 -0.0967201 -0.0378441 2.5888771 11 Sr 2.2881750 0.1198624 -0.0796945 0.1107490 2.4550641 0.0659513 -0.0655522 0.0696057 2.5342000 12 Sr 2.3594728 0.1250862 -0.0998408 0.1232972 2.4218654 0.0199756 -0.0967201 0.0378441 2.5888771 13 Mg 2.0129386 -0.0513102 -0.0508073 -0.0299909 2.0570372 -0.0142677 -0.0553452 -0.0457550 1.9167398 14 Mg 1.9753923 0.0279586 0.0578077 -0.0165817 1.9972559 0.0597642 0.0464740 0.0450582 1.9668035 15 Mg 1.9567987 -0.0368098 0.0681927 -0.0048450 2.0186501 0.0195782 0.0705278 0.0300685 1.9772646 16 Mg 1.9567987 0.0368098 0.0681927 0.0048450 2.0186501 -0.0195782 0.0705278 -0.0300685 1.9772646 17 Mg 1.9383974 0.0750727 0.0113611 0.0115024 2.0508267 -0.0414965 0.0266180 -0.0435108 1.9675035 18 Mg 1.9865374 -0.0093320 -0.0048813 0.0186047 1.9954061 -0.0279495 -0.0207121 -0.0501752 1.9388738 19 Mg 1.9753923 -0.0279586 0.0578077 0.0165817 1.9972559 -0.0597642 0.0464740 -0.0450582 1.9668035 20 Mg 1.9796932 0.0987402 -0.0233061 0.0456823 2.0521375 -0.0589412 -0.0160414 -0.0172954 1.9392496 21 Mg 1.9865374 0.0093320 -0.0048813 -0.0186047 1.9954061 0.0279495 -0.0207121 0.0501752 1.9388738 22 Mg 2.0129386 0.0513102 -0.0508073 0.0299909 2.0570372 0.0142677 -0.0553452 0.0457550 1.9167398 23 Mg 1.9796932 -0.0987402 -0.0233061 -0.0456823 2.0521375 0.0589412 -0.0160414 0.0172954 1.9392496 24 Mg 1.9383974 -0.0750727 0.0113611 -0.0115024 2.0508267 0.0414965 0.0266180 0.0435108 1.9675035 25 F -1.0932475 0.1053184 -0.0168596 0.1286932 -1.1721982 0.0557719 -0.0158807 0.0568591 -1.1741639 26 F -1.1621177 0.0971706 -0.1037841 0.0924453 -1.0426109 0.0449327 -0.1017669 0.0551656 -1.0527231 27 F -1.1070761 -0.1327703 -0.0404933 -0.1543241 -1.1584815 -0.1120902 -0.0429052 -0.1091879 -1.1549271 28 F -1.0300015 -0.0221548 -0.0102233 -0.0242402 -1.2207413 0.0529474 -0.0275571 0.0523853 -1.1485746 29 F -0.9333713 -0.1036708 0.1747495 -0.1087857 -1.2295973 0.0281266 0.1738498 0.0314298 -1.2134606 30 F -1.0489459 0.0958600 0.0427717 0.0785932 -0.9593536 0.0203547 0.0504983 0.0253503 -1.2271993 31 F -0.8817499 -0.0702230 0.0899205 -0.0556472 -1.1886536 -0.0153616 0.0883440 -0.0192280 -1.2066471 32 F -0.9365759 -0.1768466 0.0869767 -0.1486007 -1.0374586 -0.0453405 0.0860644 -0.0492982 -1.2439868 33 F -0.8766732 -0.1361701 0.0610851 -0.1269256 -1.2440865 -0.0922279 0.0614319 -0.0908273 -1.2728890 34 F -1.0932475 -0.1053184 -0.0168596 -0.1286932 -1.1721982 -0.0557719 -0.0158807 -0.0568591 -1.1741639 35 F -1.1621177 -0.0971706 -0.1037841 -0.0924453 -1.0426109 -0.0449327 -0.1017669 -0.0551656 -1.0527231 36 F -1.1720949 -0.1345193 -0.0611893 -0.1565547 -1.1294948 -0.0922499 -0.0621610 -0.0876587 -1.1296651 37 F -1.1549587 0.1013726 -0.1381983 0.1032333 -1.0747358 -0.0038776 -0.1305659 -0.0128913 -0.9968438 38 F -1.1522212 -0.1018945 -0.1053095 -0.0895175 -1.0397787 -0.0229982 -0.1019074 -0.0375080 -1.0494773 39 F -1.2236762 0.0860422 0.0036254 0.0809268 -1.0815887 0.0575858 -0.0130380 0.0565681 -0.8887360 40 F -0.8817499 0.0702230 0.0899205 0.0556472 -1.1886536 0.0153616 0.0883440 0.0192280 -1.2066471 41 F -1.1496939 0.1747048 0.0465965 0.2053891 -1.1698544 -0.0189213 0.0467930 -0.0191892 -1.1009549 42 F -0.9183451 -0.0840152 0.0863530 -0.0674929 -1.0044149 -0.0179854 0.0911696 -0.0218128 -1.2552012 43 F -1.1935563 0.1252183 -0.0169636 0.1278936 -1.0508583 0.0226480 -0.0221547 0.0143655 -0.9386207 44 F -0.8766732 0.1361701 0.0610851 0.1269256 -1.2440865 0.0922279 0.0614319 0.0908273 -1.2728890 45 F -1.0624530 -0.0442727 0.0514303 -0.0423104 -1.2353267 0.0532412 0.0609020 0.0488010 -1.1313604 46 F -1.2212098 -0.0922093 -0.0080977 -0.1058910 -1.0997151 -0.0322153 -0.0050751 -0.0190532 -1.1187821 47 F -0.9398123 0.0311544 0.0731510 0.0485237 -1.0954150 0.0074411 0.0766452 0.0046585 -1.2125124 48 F -1.1070761 0.1327703 -0.0404933 0.1543241 -1.1584815 0.1120902 -0.0429052 0.1091879 -1.1549271 49 F -0.9398123 -0.0311544 0.0731510 -0.0485237 -1.0954150 -0.0074411 0.0766452 -0.0046585 -1.2125124 50 F -1.0489459 -0.0958600 0.0427717 -0.0785932 -0.9593536 -0.0203547 0.0504983 -0.0253503 -1.2271993 51 F -1.1935563 -0.1252183 -0.0169636 -0.1278936 -1.0508583 -0.0226480 -0.0221547 -0.0143655 -0.9386207 52 F -1.0624530 0.0442727 0.0514303 0.0423104 -1.2353267 -0.0532412 0.0609020 -0.0488010 -1.1313604 53 F -1.1720949 0.1345193 -0.0611893 0.1565547 -1.1294948 0.0922499 -0.0621610 0.0876587 -1.1296651 54 F -1.2167551 0.1012653 -0.0059606 0.0940288 -1.0428866 0.0235314 -0.0047168 0.0145531 -0.9768752 55 F -0.9333713 0.1036708 0.1747495 0.1087857 -1.2295973 -0.0281266 0.1738498 -0.0314298 -1.2134606 56 F -0.9920284 0.0508132 0.1071656 0.0594729 -1.2511223 -0.0379651 0.1193851 -0.0398433 -1.1491335 57 F -0.9183451 0.0840152 0.0863530 0.0674929 -1.0044149 0.0179854 0.0911696 0.0218128 -1.2552012 58 F -1.0345529 -0.0255964 -0.0293583 -0.0226490 -1.1972197 0.0366109 -0.0353887 0.0412260 -1.1717859 59 F -0.8754853 0.0803220 0.1138918 0.0736080 -1.1522569 0.0192617 0.1112917 0.0205656 -1.2158498 60 F -0.8754853 -0.0803220 0.1138918 -0.0736080 -1.1522569 -0.0192617 0.1112917 -0.0205656 -1.2158498 61 F -1.0300015 0.0221548 -0.0102233 0.0242402 -1.2207413 -0.0529474 -0.0275571 -0.0523853 -1.1485746 62 F -1.2229217 0.1200373 0.0136344 0.1321929 -1.0756159 -0.0105015 0.0132508 -0.0157069 -1.0952807 63 F -1.1549587 -0.1013726 -0.1381983 -0.1032333 -1.0747358 0.0038776 -0.1305659 0.0128913 -0.9968438 64 F -1.2212098 0.0922093 -0.0080977 0.1058910 -1.0997151 0.0322153 -0.0050751 0.0190532 -1.1187821 65 F -0.9920284 -0.0508132 0.1071656 -0.0594729 -1.2511223 0.0379651 0.1193851 0.0398433 -1.1491335 66 F -1.0345529 0.0255964 -0.0293583 0.0226490 -1.1972197 -0.0366109 -0.0353887 -0.0412260 -1.1717859 67 F -1.1496939 -0.1747048 0.0465965 -0.2053891 -1.1698544 0.0189213 0.0467930 0.0191892 -1.1009549 68 F -1.2236762 -0.0860422 0.0036254 -0.0809268 -1.0815887 -0.0575858 -0.0130380 -0.0565681 -0.8887360 69 F -1.2167551 -0.1012653 -0.0059606 -0.0940288 -1.0428866 -0.0235314 -0.0047168 -0.0145531 -0.9768752 70 F -0.9365759 0.1768466 0.0869767 0.1486007 -1.0374586 0.0453405 0.0860644 0.0492982 -1.2439868 71 F -1.2229217 -0.1200373 0.0136344 -0.1321929 -1.0756159 0.0105015 0.0132508 0.0157069 -1.0952807 72 F -1.1522212 0.1018945 -0.1053095 0.0895175 -1.0397787 0.0229982 -0.1019074 0.0375080 -1.0494773 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 23544 Number of blocks in projector: 23544 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: 5184 Use submatrix version of eigh solver. (1) Block: 518 / 5184 (2) Block: 250 / 518 (2) 178 eigenvectors found. (2) Block: 518 / 518 (2) 196 eigenvectors found. (2) Complementary block size: 144 (2) Compute compressed projector. (2) Use standard solver. (2) 72 eigenvectors found. (1) 446 eigenvectors found. (1) Block: 1036 / 5184 (2) Block: 250 / 518 (2) 182 eigenvectors found. (2) Block: 518 / 518 (2) 200 eigenvectors found. (2) Complementary block size: 136 (2) Compute compressed projector. (2) Use standard solver. (2) 66 eigenvectors found. (1) 448 eigenvectors found. (1) Block: 1554 / 5184 (2) Block: 250 / 518 (2) 184 eigenvectors found. (2) Block: 518 / 518 (2) 204 eigenvectors found. (2) Complementary block size: 130 (2) Compute compressed projector. (2) Use standard solver. (2) 64 eigenvectors found. (1) 452 eigenvectors found. (1) Block: 2072 / 5184 (2) Block: 250 / 518 (2) 188 eigenvectors found. (2) Block: 518 / 518 (2) 208 eigenvectors found. (2) Complementary block size: 122 (2) Compute compressed projector. (2) Use standard solver. (2) 60 eigenvectors found. (1) 456 eigenvectors found. (1) Block: 2590 / 5184 (2) Block: 250 / 518 (2) 194 eigenvectors found. (2) Block: 518 / 518 (2) 214 eigenvectors found. (2) Complementary block size: 110 (2) Compute compressed projector. (2) Use standard solver. (2) 54 eigenvectors found. (1) 462 eigenvectors found. (1) Block: 3108 / 5184 (2) Block: 250 / 518 (2) 198 eigenvectors found. (2) Block: 518 / 518 (2) 218 eigenvectors found. (2) Complementary block size: 102 (2) Compute compressed projector. (2) Use standard solver. (2) 50 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 3626 / 5184 (2) Block: 250 / 518 (2) 204 eigenvectors found. (2) Block: 518 / 518 (2) 224 eigenvectors found. (2) Complementary block size: 90 (2) Compute compressed projector. (2) Use standard solver. (2) 44 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 4144 / 5184 (2) Block: 250 / 518 (2) 210 eigenvectors found. (2) Block: 518 / 518 (2) 230 eigenvectors found. (2) Complementary block size: 78 (2) Compute compressed projector. (2) Use standard solver. (2) 38 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 4662 / 5184 (2) Block: 250 / 518 (2) 216 eigenvectors found. (2) Block: 518 / 518 (2) 238 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 5184 / 5184 (2) Block: 250 / 522 (2) 226 eigenvectors found. (2) Block: 522 / 522 (2) 254 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 498 eigenvectors found. (1) Complementary block size: 522 (1) Compute compressed projector. (1) Use submatrix size of 345 (2) Block: 345 / 522 (2) 273 eigenvectors found. (2) Block: 522 / 522 (2) 129 eigenvectors found. (2) Complementary block size: 120 (2) Compute compressed projector. (2) Use standard solver. (2) 48 eigenvectors found. (1) 450 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 5184 Use submatrix version of eigh solver. (1) Block: 518 / 5184 (2) Block: 250 / 518 (2) 178 eigenvectors found. (2) Block: 518 / 518 (2) 196 eigenvectors found. (2) Complementary block size: 144 (2) Compute compressed projector. (2) Use standard solver. (2) 72 eigenvectors found. (1) 446 eigenvectors found. (1) Block: 1036 / 5184 (2) Block: 250 / 518 (2) 182 eigenvectors found. (2) Block: 518 / 518 (2) 200 eigenvectors found. (2) Complementary block size: 136 (2) Compute compressed projector. (2) Use standard solver. (2) 66 eigenvectors found. (1) 448 eigenvectors found. (1) Block: 1554 / 5184 (2) Block: 250 / 518 (2) 184 eigenvectors found. (2) Block: 518 / 518 (2) 204 eigenvectors found. (2) Complementary block size: 130 (2) Compute compressed projector. (2) Use standard solver. (2) 64 eigenvectors found. (1) 452 eigenvectors found. (1) Block: 2072 / 5184 (2) Block: 250 / 518 (2) 188 eigenvectors found. (2) Block: 518 / 518 (2) 208 eigenvectors found. (2) Complementary block size: 122 (2) Compute compressed projector. (2) Use standard solver. (2) 60 eigenvectors found. (1) 456 eigenvectors found. (1) Block: 2590 / 5184 (2) Block: 250 / 518 (2) 194 eigenvectors found. (2) Block: 518 / 518 (2) 214 eigenvectors found. (2) Complementary block size: 110 (2) Compute compressed projector. (2) Use standard solver. (2) 54 eigenvectors found. (1) 462 eigenvectors found. (1) Block: 3108 / 5184 (2) Block: 250 / 518 (2) 198 eigenvectors found. (2) Block: 518 / 518 (2) 218 eigenvectors found. (2) Complementary block size: 102 (2) Compute compressed projector. (2) Use standard solver. (2) 50 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 3626 / 5184 (2) Block: 250 / 518 (2) 204 eigenvectors found. (2) Block: 518 / 518 (2) 224 eigenvectors found. (2) Complementary block size: 90 (2) Compute compressed projector. (2) Use standard solver. (2) 44 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 4144 / 5184 (2) Block: 250 / 518 (2) 210 eigenvectors found. (2) Block: 518 / 518 (2) 230 eigenvectors found. (2) Complementary block size: 78 (2) Compute compressed projector. (2) Use standard solver. (2) 38 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 4662 / 5184 (2) Block: 250 / 518 (2) 216 eigenvectors found. (2) Block: 518 / 518 (2) 238 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 5184 / 5184 (2) Block: 250 / 522 (2) 226 eigenvectors found. (2) Block: 522 / 522 (2) 254 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 498 eigenvectors found. (1) Complementary block size: 522 (1) Compute compressed projector. (1) Use submatrix size of 345 (2) Block: 345 / 522 (2) 273 eigenvectors found. (2) Block: 522 / 522 (2) 129 eigenvectors found. (2) Complementary block size: 120 (2) Compute compressed projector. (2) Use standard solver. (2) 48 eigenvectors found. (1) 450 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 5184 Use submatrix version of eigh solver. (1) Block: 518 / 5184 (2) Block: 250 / 518 (2) 179 eigenvectors found. (2) Block: 518 / 518 (2) 197 eigenvectors found. (2) Complementary block size: 142 (2) Compute compressed projector. (2) Use standard solver. (2) 71 eigenvectors found. (1) 447 eigenvectors found. (1) Block: 1036 / 5184 (2) Block: 250 / 518 (2) 183 eigenvectors found. (2) Block: 518 / 518 (2) 201 eigenvectors found. (2) Complementary block size: 134 (2) Compute compressed projector. (2) Use standard solver. (2) 65 eigenvectors found. (1) 449 eigenvectors found. (1) Block: 1554 / 5184 (2) Block: 250 / 518 (2) 185 eigenvectors found. (2) Block: 518 / 518 (2) 205 eigenvectors found. (2) Complementary block size: 128 (2) Compute compressed projector. (2) Use standard solver. (2) 63 eigenvectors found. (1) 453 eigenvectors found. (1) Block: 2072 / 5184 (2) Block: 250 / 518 (2) 189 eigenvectors found. (2) Block: 518 / 518 (2) 209 eigenvectors found. (2) Complementary block size: 120 (2) Compute compressed projector. (2) Use standard solver. (2) 59 eigenvectors found. (1) 457 eigenvectors found. (1) Block: 2590 / 5184 (2) Block: 250 / 518 (2) 195 eigenvectors found. (2) Block: 518 / 518 (2) 215 eigenvectors found. (2) Complementary block size: 108 (2) Compute compressed projector. (2) Use standard solver. (2) 53 eigenvectors found. (1) 463 eigenvectors found. (1) Block: 3108 / 5184 (2) Block: 250 / 518 (2) 199 eigenvectors found. (2) Block: 518 / 518 (2) 219 eigenvectors found. (2) Complementary block size: 100 (2) Compute compressed projector. (2) Use standard solver. (2) 49 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 3626 / 5184 (2) Block: 250 / 518 (2) 205 eigenvectors found. (2) Block: 518 / 518 (2) 225 eigenvectors found. (2) Complementary block size: 88 (2) Compute compressed projector. (2) Use standard solver. (2) 43 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 4144 / 5184 (2) Block: 250 / 518 (2) 211 eigenvectors found. (2) Block: 518 / 518 (2) 231 eigenvectors found. (2) Complementary block size: 76 (2) Compute compressed projector. (2) Use standard solver. (2) 37 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 4662 / 5184 (2) Block: 250 / 518 (2) 217 eigenvectors found. (2) Block: 518 / 518 (2) 239 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 5184 / 5184 (2) Block: 250 / 522 (2) 227 eigenvectors found. (2) Block: 522 / 522 (2) 255 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 499 eigenvectors found. (1) Complementary block size: 512 (1) Compute compressed projector. (1) Use submatrix size of 345 (2) Block: 345 / 512 (2) 274 eigenvectors found. (2) Block: 512 / 512 (2) 118 eigenvectors found. (2) Complementary block size: 120 (2) Compute compressed projector. (2) Use standard solver. (2) 49 eigenvectors found. (1) 441 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 2664 Use submatrix version of eigh solver. (1) Block: 500 / 2664 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 71 (2) Compute compressed projector. (2) Use standard solver. (2) 35 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2664 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1500 / 2664 (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: 2000 / 2664 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2500 / 2664 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 2664 / 2664 (1) 128 eigenvectors found. (1) Complementary block size: 176 (1) Compute compressed projector. (1) Use standard solver. (1) 140 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 2664 Use submatrix version of eigh solver. (1) Block: 500 / 2664 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 71 (2) Compute compressed projector. (2) Use standard solver. (2) 35 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2664 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1500 / 2664 (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: 2000 / 2664 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2500 / 2664 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 2664 / 2664 (1) 128 eigenvectors found. (1) Complementary block size: 176 (1) Compute compressed projector. (1) Use standard solver. (1) 140 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 2664 Use submatrix version of eigh solver. (1) Block: 500 / 2664 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 71 (2) Compute compressed projector. (2) Use standard solver. (2) 35 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2664 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1500 / 2664 (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: 2000 / 2664 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2500 / 2664 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 2664 / 2664 (1) 128 eigenvectors found. (1) Complementary block size: 176 (1) Compute compressed projector. (1) Use standard solver. (1) 140 eigenvectors found. Tree of FC basis block matrices: - (23544, 23221), data: False |-- (2664, 2628), data: False |-- (2664, 140), data: (2664, 176) @ (176, 140) |-- (164, 128), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (500, 467), data: False |-- (500, 31), data: (500, 64) @ (64, 31) |-- (250, 219), data: True |-- (250, 217), data: True |-- (500, 464), data: False |-- (500, 35), data: (500, 71) @ (71, 35) |-- (250, 215), data: True |-- (250, 214), data: True |-- (2664, 2628), data: False |-- (2664, 140), data: (2664, 176) @ (176, 140) |-- (164, 128), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (500, 467), data: False |-- (500, 31), data: (500, 64) @ (64, 31) |-- (250, 219), data: True |-- (250, 217), data: True |-- (500, 464), data: False |-- (500, 35), data: (500, 71) @ (71, 35) |-- (250, 215), data: True |-- (250, 214), data: True |-- (2664, 2628), data: False |-- (2664, 140), data: (2664, 176) @ (176, 140) |-- (164, 128), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (500, 467), data: False |-- (500, 31), data: (500, 64) @ (64, 31) |-- (250, 219), data: True |-- (250, 217), data: True |-- (500, 464), data: False |-- (500, 35), data: (500, 71) @ (71, 35) |-- (250, 215), data: True |-- (250, 214), data: True |-- (5184, 5113), data: False |-- (5184, 441), data: (5184, 512) @ (512, 441) |-- (522, 499), data: False |-- (522, 17), data: (522, 40) @ (40, 17) |-- (272, 255), data: True |-- (250, 227), data: True |-- (518, 485), data: False |-- (518, 29), data: (518, 62) @ (62, 29) |-- (268, 239), data: True |-- (250, 217), data: True |-- (518, 479), data: False |-- (518, 37), data: (518, 76) @ (76, 37) |-- (268, 231), data: True |-- (250, 211), data: True |-- (518, 473), data: False |-- (518, 43), data: (518, 88) @ (88, 43) |-- (268, 225), data: True |-- (250, 205), data: True |-- (518, 467), data: False |-- (518, 49), data: (518, 100) @ (100, 49) |-- (268, 219), data: True |-- (250, 199), data: True |-- (518, 463), data: False |-- (518, 53), data: (518, 108) @ (108, 53) |-- (268, 215), data: True |-- (250, 195), data: True |-- (518, 457), data: False |-- (518, 59), data: (518, 120) @ (120, 59) |-- (268, 209), data: True |-- (250, 189), data: True |-- (518, 453), data: False |-- (518, 63), data: (518, 128) @ (128, 63) |-- (268, 205), data: True |-- (250, 185), data: True |-- (518, 449), data: False |-- (518, 65), data: (518, 134) @ (134, 65) |-- (268, 201), data: True |-- (250, 183), data: True |-- (518, 447), data: False |-- (518, 71), data: (518, 142) @ (142, 71) |-- (268, 197), data: True |-- (250, 179), data: True |-- (5184, 5112), data: False |-- (5184, 450), data: (5184, 522) @ (522, 450) |-- (522, 498), data: False |-- (522, 18), data: (522, 42) @ (42, 18) |-- (272, 254), data: True |-- (250, 226), data: True |-- (518, 484), data: False |-- (518, 30), data: (518, 64) @ (64, 30) |-- (268, 238), data: True |-- (250, 216), data: True |-- (518, 478), data: False |-- (518, 38), data: (518, 78) @ (78, 38) |-- (268, 230), data: True |-- (250, 210), data: True |-- (518, 472), data: False |-- (518, 44), data: (518, 90) @ (90, 44) |-- (268, 224), data: True |-- (250, 204), data: True |-- (518, 466), data: False |-- (518, 50), data: (518, 102) @ (102, 50) |-- (268, 218), data: True |-- (250, 198), data: True |-- (518, 462), data: False |-- (518, 54), data: (518, 110) @ (110, 54) |-- (268, 214), data: True |-- (250, 194), data: True |-- (518, 456), data: False |-- (518, 60), data: (518, 122) @ (122, 60) |-- (268, 208), data: True |-- (250, 188), data: True |-- (518, 452), data: False |-- (518, 64), data: (518, 130) @ (130, 64) |-- (268, 204), data: True |-- (250, 184), data: True |-- (518, 448), data: False |-- (518, 66), data: (518, 136) @ (136, 66) |-- (268, 200), data: True |-- (250, 182), data: True |-- (518, 446), data: False |-- (518, 72), data: (518, 144) @ (144, 72) |-- (268, 196), data: True |-- (250, 178), data: True |-- (5184, 5112), data: False |-- (5184, 450), data: (5184, 522) @ (522, 450) |-- (522, 498), data: False |-- (522, 18), data: (522, 42) @ (42, 18) |-- (272, 254), data: True |-- (250, 226), data: True |-- (518, 484), data: False |-- (518, 30), data: (518, 64) @ (64, 30) |-- (268, 238), data: True |-- (250, 216), data: True |-- (518, 478), data: False |-- (518, 38), data: (518, 78) @ (78, 38) |-- (268, 230), data: True |-- (250, 210), data: True |-- (518, 472), data: False |-- (518, 44), data: (518, 90) @ (90, 44) |-- (268, 224), data: True |-- (250, 204), data: True |-- (518, 466), data: False |-- (518, 50), data: (518, 102) @ (102, 50) |-- (268, 218), data: True |-- (250, 198), data: True |-- (518, 462), data: False |-- (518, 54), data: (518, 110) @ (110, 54) |-- (268, 214), data: True |-- (250, 194), data: True |-- (518, 456), data: False |-- (518, 60), data: (518, 122) @ (122, 60) |-- (268, 208), data: True |-- (250, 188), data: True |-- (518, 452), data: False |-- (518, 64), data: (518, 130) @ (130, 64) |-- (268, 204), data: True |-- (250, 184), data: True |-- (518, 448), data: False |-- (518, 66), data: (518, 136) @ (136, 66) |-- (268, 200), data: True |-- (250, 182), data: True |-- (518, 446), data: False |-- (518, 72), data: (518, 144) @ (144, 72) |-- (268, 196), data: True |-- (250, 178), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 4320 - Time: 11.921 Solver_block: 200 / 4320 - Time: 9.828 Solver_block: 300 / 4320 - Time: 9.849 Solver_block: 400 / 4320 - Time: 9.850 Solver_block: 500 / 4320 - Time: 9.838 Solver_block: 600 / 4320 - Time: 9.859 Solver_block: 700 / 4320 - Time: 9.856 Solver_block: 800 / 4320 - Time: 9.861 Solver_block: 900 / 4320 - Time: 9.833 Solver_block: 1000 / 4320 - Time: 9.859 Solver_block: 1100 / 4320 - Time: 9.855 Solver_block: 1200 / 4320 - Time: 9.846 Solver_block: 1300 / 4320 - Time: 9.865 Solver_block: 1400 / 4320 - Time: 9.855 Solver_block: 1500 / 4320 - Time: 9.853 Solver_block: 1600 / 4320 - Time: 9.842 Solver_block: 1700 / 4320 - Time: 9.862 Solver_block: 1800 / 4320 - Time: 9.844 Solver_block: 1900 / 4320 - Time: 9.855 Solver_block: 2000 / 4320 - Time: 9.841 Solver_block: 2100 / 4320 - Time: 9.857 Solver_block: 2200 / 4320 - Time: 9.856 Solver_block: 2300 / 4320 - Time: 9.836 Solver_block: 2400 / 4320 - Time: 9.849 Solver_block: 2500 / 4320 - Time: 9.847 Solver_block: 2600 / 4320 - Time: 9.838 Solver_block: 2700 / 4320 - Time: 9.839 Solver_block: 2800 / 4320 - Time: 9.850 Solver_block: 2900 / 4320 - Time: 9.821 Solver_block: 3000 / 4320 - Time: 9.837 Solver_block: 3100 / 4320 - Time: 9.846 Solver_block: 3200 / 4320 - Time: 9.844 Solver_block: 3300 / 4320 - Time: 9.848 Solver_block: 3400 / 4320 - Time: 9.836 Solver_block: 3500 / 4320 - Time: 9.838 Solver_block: 3600 / 4320 - Time: 9.844 Solver_block: 3700 / 4320 - Time: 9.847 Solver_block: 3800 / 4320 - Time: 9.838 Solver_block: 3900 / 4320 - Time: 9.833 Solver_block: 4000 / 4320 - Time: 9.857 Solver_block: 4100 / 4320 - Time: 9.842 Solver_block: 4200 / 4320 - Time: 9.853 Solver_block: 4300 / 4320 - Time: 9.857 Solver_block: 4320 / 4320 - Time: 2.924 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 518.287 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xz) -0.00000000 (xz) Permutation basis: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 23544 Number of blocks in projector: 23544 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: 5184 Use submatrix version of eigh solver. (1) Block: 518 / 5184 (2) Block: 250 / 518 (2) 178 eigenvectors found. (2) Block: 518 / 518 (2) 196 eigenvectors found. (2) Complementary block size: 144 (2) Compute compressed projector. (2) Use standard solver. (2) 72 eigenvectors found. (1) 446 eigenvectors found. (1) Block: 1036 / 5184 (2) Block: 250 / 518 (2) 182 eigenvectors found. (2) Block: 518 / 518 (2) 200 eigenvectors found. (2) Complementary block size: 136 (2) Compute compressed projector. (2) Use standard solver. (2) 66 eigenvectors found. (1) 448 eigenvectors found. (1) Block: 1554 / 5184 (2) Block: 250 / 518 (2) 184 eigenvectors found. (2) Block: 518 / 518 (2) 204 eigenvectors found. (2) Complementary block size: 130 (2) Compute compressed projector. (2) Use standard solver. (2) 64 eigenvectors found. (1) 452 eigenvectors found. (1) Block: 2072 / 5184 (2) Block: 250 / 518 (2) 188 eigenvectors found. (2) Block: 518 / 518 (2) 208 eigenvectors found. (2) Complementary block size: 122 (2) Compute compressed projector. (2) Use standard solver. (2) 60 eigenvectors found. (1) 456 eigenvectors found. (1) Block: 2590 / 5184 (2) Block: 250 / 518 (2) 194 eigenvectors found. (2) Block: 518 / 518 (2) 214 eigenvectors found. (2) Complementary block size: 110 (2) Compute compressed projector. (2) Use standard solver. (2) 54 eigenvectors found. (1) 462 eigenvectors found. (1) Block: 3108 / 5184 (2) Block: 250 / 518 (2) 198 eigenvectors found. (2) Block: 518 / 518 (2) 218 eigenvectors found. (2) Complementary block size: 102 (2) Compute compressed projector. (2) Use standard solver. (2) 50 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 3626 / 5184 (2) Block: 250 / 518 (2) 204 eigenvectors found. (2) Block: 518 / 518 (2) 224 eigenvectors found. (2) Complementary block size: 90 (2) Compute compressed projector. (2) Use standard solver. (2) 44 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 4144 / 5184 (2) Block: 250 / 518 (2) 210 eigenvectors found. (2) Block: 518 / 518 (2) 230 eigenvectors found. (2) Complementary block size: 78 (2) Compute compressed projector. (2) Use standard solver. (2) 38 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 4662 / 5184 (2) Block: 250 / 518 (2) 216 eigenvectors found. (2) Block: 518 / 518 (2) 238 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 5184 / 5184 (2) Block: 250 / 522 (2) 226 eigenvectors found. (2) Block: 522 / 522 (2) 254 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 498 eigenvectors found. (1) Complementary block size: 522 (1) Compute compressed projector. (1) Use submatrix size of 345 (2) Block: 345 / 522 (2) 273 eigenvectors found. (2) Block: 522 / 522 (2) 129 eigenvectors found. (2) Complementary block size: 120 (2) Compute compressed projector. (2) Use standard solver. (2) 48 eigenvectors found. (1) 450 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 5184 Use submatrix version of eigh solver. (1) Block: 518 / 5184 (2) Block: 250 / 518 (2) 178 eigenvectors found. (2) Block: 518 / 518 (2) 196 eigenvectors found. (2) Complementary block size: 144 (2) Compute compressed projector. (2) Use standard solver. (2) 72 eigenvectors found. (1) 446 eigenvectors found. (1) Block: 1036 / 5184 (2) Block: 250 / 518 (2) 182 eigenvectors found. (2) Block: 518 / 518 (2) 200 eigenvectors found. (2) Complementary block size: 136 (2) Compute compressed projector. (2) Use standard solver. (2) 66 eigenvectors found. (1) 448 eigenvectors found. (1) Block: 1554 / 5184 (2) Block: 250 / 518 (2) 184 eigenvectors found. (2) Block: 518 / 518 (2) 204 eigenvectors found. (2) Complementary block size: 130 (2) Compute compressed projector. (2) Use standard solver. (2) 64 eigenvectors found. (1) 452 eigenvectors found. (1) Block: 2072 / 5184 (2) Block: 250 / 518 (2) 188 eigenvectors found. (2) Block: 518 / 518 (2) 208 eigenvectors found. (2) Complementary block size: 122 (2) Compute compressed projector. (2) Use standard solver. (2) 60 eigenvectors found. (1) 456 eigenvectors found. (1) Block: 2590 / 5184 (2) Block: 250 / 518 (2) 194 eigenvectors found. (2) Block: 518 / 518 (2) 214 eigenvectors found. (2) Complementary block size: 110 (2) Compute compressed projector. (2) Use standard solver. (2) 54 eigenvectors found. (1) 462 eigenvectors found. (1) Block: 3108 / 5184 (2) Block: 250 / 518 (2) 198 eigenvectors found. (2) Block: 518 / 518 (2) 218 eigenvectors found. (2) Complementary block size: 102 (2) Compute compressed projector. (2) Use standard solver. (2) 50 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 3626 / 5184 (2) Block: 250 / 518 (2) 204 eigenvectors found. (2) Block: 518 / 518 (2) 224 eigenvectors found. (2) Complementary block size: 90 (2) Compute compressed projector. (2) Use standard solver. (2) 44 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 4144 / 5184 (2) Block: 250 / 518 (2) 210 eigenvectors found. (2) Block: 518 / 518 (2) 230 eigenvectors found. (2) Complementary block size: 78 (2) Compute compressed projector. (2) Use standard solver. (2) 38 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 4662 / 5184 (2) Block: 250 / 518 (2) 216 eigenvectors found. (2) Block: 518 / 518 (2) 238 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 5184 / 5184 (2) Block: 250 / 522 (2) 226 eigenvectors found. (2) Block: 522 / 522 (2) 254 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 498 eigenvectors found. (1) Complementary block size: 522 (1) Compute compressed projector. (1) Use submatrix size of 345 (2) Block: 345 / 522 (2) 273 eigenvectors found. (2) Block: 522 / 522 (2) 129 eigenvectors found. (2) Complementary block size: 120 (2) Compute compressed projector. (2) Use standard solver. (2) 48 eigenvectors found. (1) 450 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 5184 Use submatrix version of eigh solver. (1) Block: 518 / 5184 (2) Block: 250 / 518 (2) 179 eigenvectors found. (2) Block: 518 / 518 (2) 197 eigenvectors found. (2) Complementary block size: 142 (2) Compute compressed projector. (2) Use standard solver. (2) 71 eigenvectors found. (1) 447 eigenvectors found. (1) Block: 1036 / 5184 (2) Block: 250 / 518 (2) 183 eigenvectors found. (2) Block: 518 / 518 (2) 201 eigenvectors found. (2) Complementary block size: 134 (2) Compute compressed projector. (2) Use standard solver. (2) 65 eigenvectors found. (1) 449 eigenvectors found. (1) Block: 1554 / 5184 (2) Block: 250 / 518 (2) 185 eigenvectors found. (2) Block: 518 / 518 (2) 205 eigenvectors found. (2) Complementary block size: 128 (2) Compute compressed projector. (2) Use standard solver. (2) 63 eigenvectors found. (1) 453 eigenvectors found. (1) Block: 2072 / 5184 (2) Block: 250 / 518 (2) 189 eigenvectors found. (2) Block: 518 / 518 (2) 209 eigenvectors found. (2) Complementary block size: 120 (2) Compute compressed projector. (2) Use standard solver. (2) 59 eigenvectors found. (1) 457 eigenvectors found. (1) Block: 2590 / 5184 (2) Block: 250 / 518 (2) 195 eigenvectors found. (2) Block: 518 / 518 (2) 215 eigenvectors found. (2) Complementary block size: 108 (2) Compute compressed projector. (2) Use standard solver. (2) 53 eigenvectors found. (1) 463 eigenvectors found. (1) Block: 3108 / 5184 (2) Block: 250 / 518 (2) 199 eigenvectors found. (2) Block: 518 / 518 (2) 219 eigenvectors found. (2) Complementary block size: 100 (2) Compute compressed projector. (2) Use standard solver. (2) 49 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 3626 / 5184 (2) Block: 250 / 518 (2) 205 eigenvectors found. (2) Block: 518 / 518 (2) 225 eigenvectors found. (2) Complementary block size: 88 (2) Compute compressed projector. (2) Use standard solver. (2) 43 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 4144 / 5184 (2) Block: 250 / 518 (2) 211 eigenvectors found. (2) Block: 518 / 518 (2) 231 eigenvectors found. (2) Complementary block size: 76 (2) Compute compressed projector. (2) Use standard solver. (2) 37 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 4662 / 5184 (2) Block: 250 / 518 (2) 217 eigenvectors found. (2) Block: 518 / 518 (2) 239 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 5184 / 5184 (2) Block: 250 / 522 (2) 227 eigenvectors found. (2) Block: 522 / 522 (2) 255 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 499 eigenvectors found. (1) Complementary block size: 512 (1) Compute compressed projector. (1) Use submatrix size of 345 (2) Block: 345 / 512 (2) 274 eigenvectors found. (2) Block: 512 / 512 (2) 118 eigenvectors found. (2) Complementary block size: 120 (2) Compute compressed projector. (2) Use standard solver. (2) 49 eigenvectors found. (1) 441 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 2664 Use submatrix version of eigh solver. (1) Block: 500 / 2664 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 71 (2) Compute compressed projector. (2) Use standard solver. (2) 35 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2664 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1500 / 2664 (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: 2000 / 2664 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2500 / 2664 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 2664 / 2664 (1) 128 eigenvectors found. (1) Complementary block size: 176 (1) Compute compressed projector. (1) Use standard solver. (1) 140 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 2664 Use submatrix version of eigh solver. (1) Block: 500 / 2664 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 71 (2) Compute compressed projector. (2) Use standard solver. (2) 35 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2664 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1500 / 2664 (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: 2000 / 2664 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2500 / 2664 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 2664 / 2664 (1) 128 eigenvectors found. (1) Complementary block size: 176 (1) Compute compressed projector. (1) Use standard solver. (1) 140 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 2664 Use submatrix version of eigh solver. (1) Block: 500 / 2664 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 71 (2) Compute compressed projector. (2) Use standard solver. (2) 35 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2664 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1500 / 2664 (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: 2000 / 2664 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2500 / 2664 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 2664 / 2664 (1) 128 eigenvectors found. (1) Complementary block size: 176 (1) Compute compressed projector. (1) Use standard solver. (1) 140 eigenvectors found. Tree of FC basis block matrices: - (23544, 23221), data: False |-- (2664, 2628), data: False |-- (2664, 140), data: (2664, 176) @ (176, 140) |-- (164, 128), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (500, 467), data: False |-- (500, 31), data: (500, 64) @ (64, 31) |-- (250, 219), data: True |-- (250, 217), data: True |-- (500, 464), data: False |-- (500, 35), data: (500, 71) @ (71, 35) |-- (250, 215), data: True |-- (250, 214), data: True |-- (2664, 2628), data: False |-- (2664, 140), data: (2664, 176) @ (176, 140) |-- (164, 128), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (500, 467), data: False |-- (500, 31), data: (500, 64) @ (64, 31) |-- (250, 219), data: True |-- (250, 217), data: True |-- (500, 464), data: False |-- (500, 35), data: (500, 71) @ (71, 35) |-- (250, 215), data: True |-- (250, 214), data: True |-- (2664, 2628), data: False |-- (2664, 140), data: (2664, 176) @ (176, 140) |-- (164, 128), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (500, 467), data: False |-- (500, 31), data: (500, 64) @ (64, 31) |-- (250, 219), data: True |-- (250, 217), data: True |-- (500, 464), data: False |-- (500, 35), data: (500, 71) @ (71, 35) |-- (250, 215), data: True |-- (250, 214), data: True |-- (5184, 5113), data: False |-- (5184, 441), data: (5184, 512) @ (512, 441) |-- (522, 499), data: False |-- (522, 17), data: (522, 40) @ (40, 17) |-- (272, 255), data: True |-- (250, 227), data: True |-- (518, 485), data: False |-- (518, 29), data: (518, 62) @ (62, 29) |-- (268, 239), data: True |-- (250, 217), data: True |-- (518, 479), data: False |-- (518, 37), data: (518, 76) @ (76, 37) |-- (268, 231), data: True |-- (250, 211), data: True |-- (518, 473), data: False |-- (518, 43), data: (518, 88) @ (88, 43) |-- (268, 225), data: True |-- (250, 205), data: True |-- (518, 467), data: False |-- (518, 49), data: (518, 100) @ (100, 49) |-- (268, 219), data: True |-- (250, 199), data: True |-- (518, 463), data: False |-- (518, 53), data: (518, 108) @ (108, 53) |-- (268, 215), data: True |-- (250, 195), data: True |-- (518, 457), data: False |-- (518, 59), data: (518, 120) @ (120, 59) |-- (268, 209), data: True |-- (250, 189), data: True |-- (518, 453), data: False |-- (518, 63), data: (518, 128) @ (128, 63) |-- (268, 205), data: True |-- (250, 185), data: True |-- (518, 449), data: False |-- (518, 65), data: (518, 134) @ (134, 65) |-- (268, 201), data: True |-- (250, 183), data: True |-- (518, 447), data: False |-- (518, 71), data: (518, 142) @ (142, 71) |-- (268, 197), data: True |-- (250, 179), data: True |-- (5184, 5112), data: False |-- (5184, 450), data: (5184, 522) @ (522, 450) |-- (522, 498), data: False |-- (522, 18), data: (522, 42) @ (42, 18) |-- (272, 254), data: True |-- (250, 226), data: True |-- (518, 484), data: False |-- (518, 30), data: (518, 64) @ (64, 30) |-- (268, 238), data: True |-- (250, 216), data: True |-- (518, 478), data: False |-- (518, 38), data: (518, 78) @ (78, 38) |-- (268, 230), data: True |-- (250, 210), data: True |-- (518, 472), data: False |-- (518, 44), data: (518, 90) @ (90, 44) |-- (268, 224), data: True |-- (250, 204), data: True |-- (518, 466), data: False |-- (518, 50), data: (518, 102) @ (102, 50) |-- (268, 218), data: True |-- (250, 198), data: True |-- (518, 462), data: False |-- (518, 54), data: (518, 110) @ (110, 54) |-- (268, 214), data: True |-- (250, 194), data: True |-- (518, 456), data: False |-- (518, 60), data: (518, 122) @ (122, 60) |-- (268, 208), data: True |-- (250, 188), data: True |-- (518, 452), data: False |-- (518, 64), data: (518, 130) @ (130, 64) |-- (268, 204), data: True |-- (250, 184), data: True |-- (518, 448), data: False |-- (518, 66), data: (518, 136) @ (136, 66) |-- (268, 200), data: True |-- (250, 182), data: True |-- (518, 446), data: False |-- (518, 72), data: (518, 144) @ (144, 72) |-- (268, 196), data: True |-- (250, 178), data: True |-- (5184, 5112), data: False |-- (5184, 450), data: (5184, 522) @ (522, 450) |-- (522, 498), data: False |-- (522, 18), data: (522, 42) @ (42, 18) |-- (272, 254), data: True |-- (250, 226), data: True |-- (518, 484), data: False |-- (518, 30), data: (518, 64) @ (64, 30) |-- (268, 238), data: True |-- (250, 216), data: True |-- (518, 478), data: False |-- (518, 38), data: (518, 78) @ (78, 38) |-- (268, 230), data: True |-- (250, 210), data: True |-- (518, 472), data: False |-- (518, 44), data: (518, 90) @ (90, 44) |-- (268, 224), data: True |-- (250, 204), data: True |-- (518, 466), data: False |-- (518, 50), data: (518, 102) @ (102, 50) |-- (268, 218), data: True |-- (250, 198), data: True |-- (518, 462), data: False |-- (518, 54), data: (518, 110) @ (110, 54) |-- (268, 214), data: True |-- (250, 194), data: True |-- (518, 456), data: False |-- (518, 60), data: (518, 122) @ (122, 60) |-- (268, 208), data: True |-- (250, 188), data: True |-- (518, 452), data: False |-- (518, 64), data: (518, 130) @ (130, 64) |-- (268, 204), data: True |-- (250, 184), data: True |-- (518, 448), data: False |-- (518, 66), data: (518, 136) @ (136, 66) |-- (268, 200), data: True |-- (250, 182), data: True |-- (518, 446), data: False |-- (518, 72), data: (518, 144) @ (144, 72) |-- (268, 196), data: True |-- (250, 178), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xz) -0.00000000 (xz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 16:57:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:57:33]------------------------- 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 (4) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.494283531008876 0.000000000000000 0.000000000000000 b 0.000000000000000 16.882252810000001 0.000000000000000 c -2.002862323003224 0.000000000000000 7.518218287032662 Atomic positions (fractional): 1 Sr 0.15518316284300 0.99746300478655 0.66246731260439 87.620 2 Sr 0.85521875319241 0.16755656975258 0.84174250803821 87.620 3 Sr 0.21273077450417 0.01650953641355 0.18324342380348 87.620 4 Sr 0.83398025846540 0.83254211429408 0.83508650334426 87.620 5 Sr 0.23154095467969 0.35282954773517 0.68241318105557 87.620 6 Sr 0.76845904532031 0.85282954773517 0.31758681894443 87.620 7 Sr 0.78726922549583 0.51650953641355 0.81675657619652 87.620 8 Sr 0.16601974153460 0.33254211429408 0.16491349665574 87.620 9 Sr 0.14478124680759 0.66755656975258 0.15825749196179 87.620 10 Sr 0.18134697535490 0.67869019306030 0.66735380035253 87.620 11 Sr 0.84481683715700 0.49746300478654 0.33753268739561 87.620 12 Sr 0.81865302464510 0.17869019306030 0.33264619964747 87.620 13 Mg 0.32693203082940 0.85511182915752 0.45572537869776 24.305 14 Mg 0.65635827254941 0.02342634222498 0.54127686385963 24.305 15 Mg 0.32673207793035 0.85782691871296 0.95638665497685 24.305 16 Mg 0.67326792206965 0.35782691871296 0.04361334502315 24.305 17 Mg 0.66775872862984 0.69172023991472 0.54032385632586 24.305 18 Mg 0.33990955673645 0.19088697349780 0.95643410471743 24.305 19 Mg 0.34364172745059 0.52342634222498 0.45872313614037 24.305 20 Mg 0.66071366539059 0.02276953961097 0.03783868558245 24.305 21 Mg 0.66009044326355 0.69088697349780 0.04356589528257 24.305 22 Mg 0.67306796917060 0.35511182915752 0.54427462130224 24.305 23 Mg 0.33928633460941 0.52276953961097 0.96216131441755 24.305 24 Mg 0.33224127137016 0.19172023991472 0.45967614367414 24.305 25 F 0.88878774399974 0.08721387654087 0.58544867491269 18.998 26 F 0.57122787048128 0.80450724537223 0.55232469166767 18.998 27 F 0.09779293068516 0.92298812533664 0.92988049745113 18.998 28 F 0.82943229862794 0.59797560703514 0.09964999989849 18.998 29 F 0.21444089143874 0.42305707094905 0.94812197751245 18.998 30 F 0.38396960353992 0.86970220737298 0.21959913052515 18.998 31 F 0.73007611255360 0.68885978889102 0.80927120653384 18.998 32 F 0.66369510675736 0.04718548029311 0.79032561714352 18.998 33 F 0.21246799197052 0.75289849504573 0.40863382795302 18.998 34 F 0.11121225600026 0.58721387654086 0.41455132508732 18.998 35 F 0.42877212951872 0.30450724537223 0.44767530833233 18.998 36 F 0.09957223671415 0.25745471162778 0.42872064814514 18.998 37 F 0.56691620451414 0.13253920372924 0.05806258947887 18.998 38 F 0.41798057036847 0.97146775554468 0.95280655372035 18.998 39 F 0.54778121185621 0.12820205942248 0.45580677072157 18.998 40 F 0.26992388744640 0.18885978889102 0.19072879346616 18.998 41 F 0.88639140007606 0.75866334707783 0.12684944056244 18.998 42 F 0.61561706868325 0.70652313718626 0.28058735487703 18.998 43 F 0.54882396832837 0.79658614852030 0.97189565730059 18.998 44 F 0.78753200802948 0.25289849504573 0.59136617204698 18.998 45 F 0.15941432878925 0.76325035409368 0.92829515129825 18.998 46 F 0.09511927847587 0.58202257311127 0.88458222616992 18.998 47 F 0.65083858829580 0.00261127109919 0.28844915335328 18.998 48 F 0.90220706931484 0.42298812533664 0.07011950254887 18.998 49 F 0.34916141170420 0.50261127109919 0.71155084664672 18.998 50 F 0.61603039646008 0.36970220737298 0.78040086947485 18.998 51 F 0.45117603167163 0.29658614852030 0.02810434269941 18.998 52 F 0.84058567121075 0.26325035409367 0.07170484870176 18.998 53 F 0.90042776328586 0.75745471162778 0.57127935185486 18.998 54 F 0.57844626695562 0.46682554072528 0.49324571759747 18.998 55 F 0.78555910856126 0.92305707094905 0.05187802248755 18.998 56 F 0.82160784441417 0.59617353767968 0.55995961772462 18.998 57 F 0.38438293131675 0.20652313718626 0.71941264512297 18.998 58 F 0.82921750236545 0.93155630372263 0.59860570466373 18.998 59 F 0.27241937937452 0.85672634289241 0.69288285164057 18.998 60 F 0.72758062062548 0.35672634289242 0.30711714835943 18.998 61 F 0.17056770137206 0.09797560703514 0.90035000010151 18.998 62 F 0.91166486362997 0.41800703756929 0.63013584337811 18.998 63 F 0.43308379548586 0.63253920372924 0.94193741052113 18.998 64 F 0.90488072152413 0.08202257311127 0.11541777383008 18.998 65 F 0.17839215558583 0.09617353767968 0.44004038227538 18.998 66 F 0.17078249763455 0.43155630372263 0.40139429533626 18.998 67 F 0.11360859992394 0.25866334707783 0.87315055943756 18.998 68 F 0.45221878814379 0.62820205942248 0.54419322927843 18.998 69 F 0.42155373304438 0.96682554072528 0.50675428240253 18.998 70 F 0.33630489324264 0.54718548029311 0.20967438285648 18.998 71 F 0.08833513637003 0.91800703756929 0.36986415662189 18.998 72 F 0.58201942963153 0.47146775554468 0.04719344627965 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.988567062017752 0.000000000000000 0.000000000000000 b 0.000000000000000 16.882252810000001 0.000000000000000 c -2.002862323003224 0.000000000000000 7.518218287032662 Atomic positions (fractional): 1 Sr 0.07759158142150 0.99746300478655 0.66246731260439 87.620 > 1 2 Sr 0.57759158142150 0.99746300478655 0.66246731260439 87.620 > 1 3 Sr 0.42760937659621 0.16755656975258 0.84174250803821 87.620 > 3 4 Sr 0.92760937659621 0.16755656975258 0.84174250803821 87.620 > 3 5 Sr 0.10636538725209 0.01650953641355 0.18324342380348 87.620 > 5 6 Sr 0.60636538725209 0.01650953641355 0.18324342380348 87.620 > 5 7 Sr 0.41699012923270 0.83254211429408 0.83508650334426 87.620 > 7 8 Sr 0.91699012923270 0.83254211429408 0.83508650334426 87.620 > 7 9 Sr 0.11577047733984 0.35282954773517 0.68241318105557 87.620 > 9 10 Sr 0.61577047733984 0.35282954773517 0.68241318105557 87.620 > 9 11 Sr 0.38422952266016 0.85282954773517 0.31758681894443 87.620 > 11 12 Sr 0.88422952266016 0.85282954773517 0.31758681894443 87.620 > 11 13 Sr 0.39363461274791 0.51650953641355 0.81675657619652 87.620 > 13 14 Sr 0.89363461274791 0.51650953641355 0.81675657619652 87.620 > 13 15 Sr 0.08300987076730 0.33254211429408 0.16491349665574 87.620 > 15 16 Sr 0.58300987076730 0.33254211429408 0.16491349665574 87.620 > 15 17 Sr 0.07239062340379 0.66755656975258 0.15825749196179 87.620 > 17 18 Sr 0.57239062340379 0.66755656975258 0.15825749196179 87.620 > 17 19 Sr 0.09067348767745 0.67869019306030 0.66735380035253 87.620 > 19 20 Sr 0.59067348767745 0.67869019306030 0.66735380035253 87.620 > 19 21 Sr 0.42240841857850 0.49746300478654 0.33753268739561 87.620 > 21 22 Sr 0.92240841857850 0.49746300478654 0.33753268739561 87.620 > 21 23 Sr 0.40932651232255 0.17869019306030 0.33264619964747 87.620 > 23 24 Sr 0.90932651232255 0.17869019306030 0.33264619964747 87.620 > 23 25 Mg 0.16346601541470 0.85511182915752 0.45572537869776 24.305 > 25 26 Mg 0.66346601541470 0.85511182915752 0.45572537869776 24.305 > 25 27 Mg 0.32817913627470 0.02342634222498 0.54127686385963 24.305 > 27 28 Mg 0.82817913627470 0.02342634222498 0.54127686385963 24.305 > 27 29 Mg 0.16336603896518 0.85782691871296 0.95638665497685 24.305 > 29 30 Mg 0.66336603896518 0.85782691871296 0.95638665497685 24.305 > 29 31 Mg 0.33663396103482 0.35782691871296 0.04361334502315 24.305 > 31 32 Mg 0.83663396103482 0.35782691871296 0.04361334502315 24.305 > 31 33 Mg 0.33387936431492 0.69172023991472 0.54032385632586 24.305 > 33 34 Mg 0.83387936431492 0.69172023991472 0.54032385632586 24.305 > 33 35 Mg 0.16995477836823 0.19088697349780 0.95643410471743 24.305 > 35 36 Mg 0.66995477836823 0.19088697349780 0.95643410471743 24.305 > 35 37 Mg 0.17182086372530 0.52342634222498 0.45872313614037 24.305 > 37 38 Mg 0.67182086372530 0.52342634222498 0.45872313614037 24.305 > 37 39 Mg 0.33035683269530 0.02276953961097 0.03783868558245 24.305 > 39 40 Mg 0.83035683269530 0.02276953961097 0.03783868558245 24.305 > 39 41 Mg 0.33004522163178 0.69088697349780 0.04356589528257 24.305 > 41 42 Mg 0.83004522163178 0.69088697349780 0.04356589528257 24.305 > 41 43 Mg 0.33653398458530 0.35511182915752 0.54427462130224 24.305 > 43 44 Mg 0.83653398458530 0.35511182915752 0.54427462130224 24.305 > 43 45 Mg 0.16964316730470 0.52276953961097 0.96216131441755 24.305 > 45 46 Mg 0.66964316730470 0.52276953961097 0.96216131441755 24.305 > 45 47 Mg 0.16612063568508 0.19172023991472 0.45967614367414 24.305 > 47 48 Mg 0.66612063568508 0.19172023991472 0.45967614367414 24.305 > 47 49 F 0.44439387199987 0.08721387654087 0.58544867491269 18.998 > 49 50 F 0.94439387199987 0.08721387654087 0.58544867491269 18.998 > 49 51 F 0.28561393524064 0.80450724537223 0.55232469166767 18.998 > 51 52 F 0.78561393524064 0.80450724537223 0.55232469166767 18.998 > 51 53 F 0.04889646534258 0.92298812533664 0.92988049745113 18.998 > 53 54 F 0.54889646534258 0.92298812533664 0.92988049745113 18.998 > 53 55 F 0.41471614931397 0.59797560703514 0.09964999989849 18.998 > 55 56 F 0.91471614931397 0.59797560703514 0.09964999989849 18.998 > 55 57 F 0.10722044571937 0.42305707094905 0.94812197751245 18.998 > 57 58 F 0.60722044571937 0.42305707094905 0.94812197751245 18.998 > 57 59 F 0.19198480176996 0.86970220737298 0.21959913052515 18.998 > 59 60 F 0.69198480176996 0.86970220737298 0.21959913052515 18.998 > 59 61 F 0.36503805627680 0.68885978889102 0.80927120653384 18.998 > 61 62 F 0.86503805627680 0.68885978889102 0.80927120653384 18.998 > 61 63 F 0.33184755337868 0.04718548029311 0.79032561714352 18.998 > 63 64 F 0.83184755337868 0.04718548029311 0.79032561714352 18.998 > 63 65 F 0.10623399598526 0.75289849504573 0.40863382795302 18.998 > 65 66 F 0.60623399598526 0.75289849504573 0.40863382795302 18.998 > 65 67 F 0.05560612800013 0.58721387654086 0.41455132508732 18.998 > 67 68 F 0.55560612800013 0.58721387654086 0.41455132508732 18.998 > 67 69 F 0.21438606475936 0.30450724537223 0.44767530833233 18.998 > 69 70 F 0.71438606475936 0.30450724537223 0.44767530833233 18.998 > 69 71 F 0.04978611835707 0.25745471162778 0.42872064814514 18.998 > 71 72 F 0.54978611835707 0.25745471162778 0.42872064814514 18.998 > 71 73 F 0.28345810225707 0.13253920372924 0.05806258947887 18.998 > 73 74 F 0.78345810225707 0.13253920372924 0.05806258947887 18.998 > 73 75 F 0.20899028518424 0.97146775554468 0.95280655372035 18.998 > 75 76 F 0.70899028518424 0.97146775554468 0.95280655372035 18.998 > 75 77 F 0.27389060592811 0.12820205942248 0.45580677072157 18.998 > 77 78 F 0.77389060592811 0.12820205942248 0.45580677072157 18.998 > 77 79 F 0.13496194372320 0.18885978889102 0.19072879346616 18.998 > 79 80 F 0.63496194372320 0.18885978889102 0.19072879346616 18.998 > 79 81 F 0.44319570003803 0.75866334707783 0.12684944056244 18.998 > 81 82 F 0.94319570003803 0.75866334707783 0.12684944056244 18.998 > 81 83 F 0.30780853434162 0.70652313718626 0.28058735487703 18.998 > 83 84 F 0.80780853434162 0.70652313718626 0.28058735487703 18.998 > 83 85 F 0.27441198416418 0.79658614852030 0.97189565730059 18.998 > 85 86 F 0.77441198416418 0.79658614852030 0.97189565730059 18.998 > 85 87 F 0.39376600401474 0.25289849504573 0.59136617204698 18.998 > 87 88 F 0.89376600401474 0.25289849504573 0.59136617204698 18.998 > 87 89 F 0.07970716439463 0.76325035409368 0.92829515129825 18.998 > 89 90 F 0.57970716439463 0.76325035409368 0.92829515129825 18.998 > 89 91 F 0.04755963923794 0.58202257311127 0.88458222616992 18.998 > 91 92 F 0.54755963923794 0.58202257311127 0.88458222616992 18.998 > 91 93 F 0.32541929414790 0.00261127109919 0.28844915335328 18.998 > 93 94 F 0.82541929414790 0.00261127109919 0.28844915335328 18.998 > 93 95 F 0.45110353465742 0.42298812533664 0.07011950254887 18.998 > 95 96 F 0.95110353465742 0.42298812533664 0.07011950254887 18.998 > 95 97 F 0.17458070585210 0.50261127109919 0.71155084664672 18.998 > 97 98 F 0.67458070585210 0.50261127109919 0.71155084664672 18.998 > 97 99 F 0.30801519823004 0.36970220737298 0.78040086947485 18.998 > 99 100 F 0.80801519823004 0.36970220737298 0.78040086947485 18.998 > 99 101 F 0.22558801583582 0.29658614852030 0.02810434269941 18.998 > 101 102 F 0.72558801583582 0.29658614852030 0.02810434269941 18.998 > 101 103 F 0.42029283560537 0.26325035409367 0.07170484870176 18.998 > 103 104 F 0.92029283560537 0.26325035409367 0.07170484870176 18.998 > 103 105 F 0.45021388164293 0.75745471162778 0.57127935185486 18.998 > 105 106 F 0.95021388164293 0.75745471162778 0.57127935185486 18.998 > 105 107 F 0.28922313347781 0.46682554072528 0.49324571759747 18.998 > 107 108 F 0.78922313347781 0.46682554072528 0.49324571759747 18.998 > 107 109 F 0.39277955428063 0.92305707094905 0.05187802248755 18.998 > 109 110 F 0.89277955428063 0.92305707094905 0.05187802248755 18.998 > 109 111 F 0.41080392220708 0.59617353767968 0.55995961772462 18.998 > 111 112 F 0.91080392220708 0.59617353767968 0.55995961772462 18.998 > 111 113 F 0.19219146565838 0.20652313718626 0.71941264512297 18.998 > 113 114 F 0.69219146565838 0.20652313718626 0.71941264512297 18.998 > 113 115 F 0.41460875118272 0.93155630372263 0.59860570466373 18.998 > 115 116 F 0.91460875118272 0.93155630372263 0.59860570466373 18.998 > 115 117 F 0.13620968968726 0.85672634289241 0.69288285164057 18.998 > 117 118 F 0.63620968968726 0.85672634289241 0.69288285164057 18.998 > 117 119 F 0.36379031031274 0.35672634289242 0.30711714835943 18.998 > 119 120 F 0.86379031031274 0.35672634289242 0.30711714835943 18.998 > 119 121 F 0.08528385068603 0.09797560703514 0.90035000010151 18.998 > 121 122 F 0.58528385068603 0.09797560703514 0.90035000010151 18.998 > 121 123 F 0.45583243181498 0.41800703756929 0.63013584337811 18.998 > 123 124 F 0.95583243181498 0.41800703756929 0.63013584337811 18.998 > 123 125 F 0.21654189774293 0.63253920372924 0.94193741052113 18.998 > 125 126 F 0.71654189774293 0.63253920372924 0.94193741052113 18.998 > 125 127 F 0.45244036076206 0.08202257311127 0.11541777383008 18.998 > 127 128 F 0.95244036076206 0.08202257311127 0.11541777383008 18.998 > 127 129 F 0.08919607779292 0.09617353767968 0.44004038227538 18.998 > 129 130 F 0.58919607779292 0.09617353767968 0.44004038227538 18.998 > 129 131 F 0.08539124881728 0.43155630372263 0.40139429533626 18.998 > 131 132 F 0.58539124881728 0.43155630372263 0.40139429533626 18.998 > 131 133 F 0.05680429996197 0.25866334707783 0.87315055943756 18.998 > 133 134 F 0.55680429996197 0.25866334707783 0.87315055943756 18.998 > 133 135 F 0.22610939407189 0.62820205942248 0.54419322927843 18.998 > 135 136 F 0.72610939407189 0.62820205942248 0.54419322927843 18.998 > 135 137 F 0.21077686652219 0.96682554072528 0.50675428240253 18.998 > 137 138 F 0.71077686652219 0.96682554072528 0.50675428240253 18.998 > 137 139 F 0.16815244662132 0.54718548029311 0.20967438285648 18.998 > 139 140 F 0.66815244662132 0.54718548029311 0.20967438285648 18.998 > 139 141 F 0.04416756818502 0.91800703756929 0.36986415662189 18.998 > 141 142 F 0.54416756818502 0.91800703756929 0.36986415662189 18.998 > 141 143 F 0.29100971481576 0.47146775554468 0.04719344627965 18.998 > 143 144 F 0.79100971481576 0.47146775554468 0.04719344627965 18.998 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.1715570 0.0000000 -0.0165421 0.0000000 2.2212613 0.0000000 -0.0165416 0.0000000 2.2295146 -------------------------- Born effective charges -------------------------- 1 Sr 2.2881750 -0.1198624 -0.0796945 -0.1107490 2.4550641 -0.0659513 -0.0655522 -0.0696057 2.5342000 2 Sr 2.2588723 0.1173310 -0.0354475 0.1071742 2.5028334 0.0194969 -0.0358559 0.0100680 2.5620802 3 Sr 2.2892947 -0.1280485 -0.0718493 -0.1269011 2.4813310 0.0092527 -0.0816377 0.0088142 2.5965110 4 Sr 2.2792555 0.1222559 -0.1099195 0.1088432 2.4532357 0.0628559 -0.0939711 0.0798601 2.5525343 5 Sr 2.2746963 -0.0403037 -0.0765290 -0.0272505 2.4678227 0.0037205 -0.0942925 0.0200691 2.5850132 6 Sr 2.2746963 0.0403037 -0.0765290 0.0272505 2.4678227 -0.0037205 -0.0942925 -0.0200691 2.5850132 7 Sr 2.2892947 0.1280485 -0.0718493 0.1269011 2.4813310 -0.0092527 -0.0816377 -0.0088142 2.5965110 8 Sr 2.2792555 -0.1222559 -0.1099195 -0.1088432 2.4532357 -0.0628559 -0.0939711 -0.0798601 2.5525343 9 Sr 2.2588723 -0.1173310 -0.0354475 -0.1071742 2.5028334 -0.0194969 -0.0358559 -0.0100680 2.5620802 10 Sr 2.3594728 -0.1250862 -0.0998408 -0.1232972 2.4218654 -0.0199756 -0.0967201 -0.0378441 2.5888771 11 Sr 2.2881750 0.1198624 -0.0796945 0.1107490 2.4550641 0.0659513 -0.0655522 0.0696057 2.5342000 12 Sr 2.3594728 0.1250862 -0.0998408 0.1232972 2.4218654 0.0199756 -0.0967201 0.0378441 2.5888771 13 Mg 2.0129386 -0.0513102 -0.0508073 -0.0299909 2.0570372 -0.0142677 -0.0553452 -0.0457550 1.9167398 14 Mg 1.9753923 0.0279586 0.0578077 -0.0165817 1.9972559 0.0597642 0.0464740 0.0450582 1.9668035 15 Mg 1.9567987 -0.0368098 0.0681927 -0.0048450 2.0186501 0.0195782 0.0705278 0.0300685 1.9772646 16 Mg 1.9567987 0.0368098 0.0681927 0.0048450 2.0186501 -0.0195782 0.0705278 -0.0300685 1.9772646 17 Mg 1.9383974 0.0750727 0.0113611 0.0115024 2.0508267 -0.0414965 0.0266180 -0.0435108 1.9675035 18 Mg 1.9865374 -0.0093320 -0.0048813 0.0186047 1.9954061 -0.0279495 -0.0207121 -0.0501752 1.9388738 19 Mg 1.9753923 -0.0279586 0.0578077 0.0165817 1.9972559 -0.0597642 0.0464740 -0.0450582 1.9668035 20 Mg 1.9796932 0.0987402 -0.0233061 0.0456823 2.0521375 -0.0589412 -0.0160414 -0.0172954 1.9392496 21 Mg 1.9865374 0.0093320 -0.0048813 -0.0186047 1.9954061 0.0279495 -0.0207121 0.0501752 1.9388738 22 Mg 2.0129386 0.0513102 -0.0508073 0.0299909 2.0570372 0.0142677 -0.0553452 0.0457550 1.9167398 23 Mg 1.9796932 -0.0987402 -0.0233061 -0.0456823 2.0521375 0.0589412 -0.0160414 0.0172954 1.9392496 24 Mg 1.9383974 -0.0750727 0.0113611 -0.0115024 2.0508267 0.0414965 0.0266180 0.0435108 1.9675035 25 F -1.0932475 0.1053184 -0.0168596 0.1286932 -1.1721982 0.0557719 -0.0158807 0.0568591 -1.1741639 26 F -1.1621177 0.0971706 -0.1037841 0.0924453 -1.0426109 0.0449327 -0.1017669 0.0551656 -1.0527231 27 F -1.1070761 -0.1327703 -0.0404933 -0.1543241 -1.1584815 -0.1120902 -0.0429052 -0.1091879 -1.1549271 28 F -1.0300015 -0.0221548 -0.0102233 -0.0242402 -1.2207413 0.0529474 -0.0275571 0.0523853 -1.1485746 29 F -0.9333713 -0.1036708 0.1747495 -0.1087857 -1.2295973 0.0281266 0.1738498 0.0314298 -1.2134606 30 F -1.0489459 0.0958600 0.0427717 0.0785932 -0.9593536 0.0203547 0.0504983 0.0253503 -1.2271993 31 F -0.8817499 -0.0702230 0.0899205 -0.0556472 -1.1886536 -0.0153616 0.0883440 -0.0192280 -1.2066471 32 F -0.9365759 -0.1768466 0.0869767 -0.1486007 -1.0374586 -0.0453405 0.0860644 -0.0492982 -1.2439868 33 F -0.8766732 -0.1361701 0.0610851 -0.1269256 -1.2440865 -0.0922279 0.0614319 -0.0908273 -1.2728890 34 F -1.0932475 -0.1053184 -0.0168596 -0.1286932 -1.1721982 -0.0557719 -0.0158807 -0.0568591 -1.1741639 35 F -1.1621177 -0.0971706 -0.1037841 -0.0924453 -1.0426109 -0.0449327 -0.1017669 -0.0551656 -1.0527231 36 F -1.1720949 -0.1345193 -0.0611893 -0.1565547 -1.1294948 -0.0922499 -0.0621610 -0.0876587 -1.1296651 37 F -1.1549587 0.1013726 -0.1381983 0.1032333 -1.0747358 -0.0038776 -0.1305659 -0.0128913 -0.9968438 38 F -1.1522212 -0.1018945 -0.1053095 -0.0895175 -1.0397787 -0.0229982 -0.1019074 -0.0375080 -1.0494773 39 F -1.2236762 0.0860422 0.0036254 0.0809268 -1.0815887 0.0575858 -0.0130380 0.0565681 -0.8887360 40 F -0.8817499 0.0702230 0.0899205 0.0556472 -1.1886536 0.0153616 0.0883440 0.0192280 -1.2066471 41 F -1.1496939 0.1747048 0.0465965 0.2053891 -1.1698544 -0.0189213 0.0467930 -0.0191892 -1.1009549 42 F -0.9183451 -0.0840152 0.0863530 -0.0674929 -1.0044149 -0.0179854 0.0911696 -0.0218128 -1.2552012 43 F -1.1935563 0.1252183 -0.0169636 0.1278936 -1.0508583 0.0226480 -0.0221547 0.0143655 -0.9386207 44 F -0.8766732 0.1361701 0.0610851 0.1269256 -1.2440865 0.0922279 0.0614319 0.0908273 -1.2728890 45 F -1.0624530 -0.0442727 0.0514303 -0.0423104 -1.2353267 0.0532412 0.0609020 0.0488010 -1.1313604 46 F -1.2212098 -0.0922093 -0.0080977 -0.1058910 -1.0997151 -0.0322153 -0.0050751 -0.0190532 -1.1187821 47 F -0.9398123 0.0311544 0.0731510 0.0485237 -1.0954150 0.0074411 0.0766452 0.0046585 -1.2125124 48 F -1.1070761 0.1327703 -0.0404933 0.1543241 -1.1584815 0.1120902 -0.0429052 0.1091879 -1.1549271 49 F -0.9398123 -0.0311544 0.0731510 -0.0485237 -1.0954150 -0.0074411 0.0766452 -0.0046585 -1.2125124 50 F -1.0489459 -0.0958600 0.0427717 -0.0785932 -0.9593536 -0.0203547 0.0504983 -0.0253503 -1.2271993 51 F -1.1935563 -0.1252183 -0.0169636 -0.1278936 -1.0508583 -0.0226480 -0.0221547 -0.0143655 -0.9386207 52 F -1.0624530 0.0442727 0.0514303 0.0423104 -1.2353267 -0.0532412 0.0609020 -0.0488010 -1.1313604 53 F -1.1720949 0.1345193 -0.0611893 0.1565547 -1.1294948 0.0922499 -0.0621610 0.0876587 -1.1296651 54 F -1.2167551 0.1012653 -0.0059606 0.0940288 -1.0428866 0.0235314 -0.0047168 0.0145531 -0.9768752 55 F -0.9333713 0.1036708 0.1747495 0.1087857 -1.2295973 -0.0281266 0.1738498 -0.0314298 -1.2134606 56 F -0.9920284 0.0508132 0.1071656 0.0594729 -1.2511223 -0.0379651 0.1193851 -0.0398433 -1.1491335 57 F -0.9183451 0.0840152 0.0863530 0.0674929 -1.0044149 0.0179854 0.0911696 0.0218128 -1.2552012 58 F -1.0345529 -0.0255964 -0.0293583 -0.0226490 -1.1972197 0.0366109 -0.0353887 0.0412260 -1.1717859 59 F -0.8754853 0.0803220 0.1138918 0.0736080 -1.1522569 0.0192617 0.1112917 0.0205656 -1.2158498 60 F -0.8754853 -0.0803220 0.1138918 -0.0736080 -1.1522569 -0.0192617 0.1112917 -0.0205656 -1.2158498 61 F -1.0300015 0.0221548 -0.0102233 0.0242402 -1.2207413 -0.0529474 -0.0275571 -0.0523853 -1.1485746 62 F -1.2229217 0.1200373 0.0136344 0.1321929 -1.0756159 -0.0105015 0.0132508 -0.0157069 -1.0952807 63 F -1.1549587 -0.1013726 -0.1381983 -0.1032333 -1.0747358 0.0038776 -0.1305659 0.0128913 -0.9968438 64 F -1.2212098 0.0922093 -0.0080977 0.1058910 -1.0997151 0.0322153 -0.0050751 0.0190532 -1.1187821 65 F -0.9920284 -0.0508132 0.1071656 -0.0594729 -1.2511223 0.0379651 0.1193851 0.0398433 -1.1491335 66 F -1.0345529 0.0255964 -0.0293583 0.0226490 -1.1972197 -0.0366109 -0.0353887 -0.0412260 -1.1717859 67 F -1.1496939 -0.1747048 0.0465965 -0.2053891 -1.1698544 0.0189213 0.0467930 0.0191892 -1.1009549 68 F -1.2236762 -0.0860422 0.0036254 -0.0809268 -1.0815887 -0.0575858 -0.0130380 -0.0565681 -0.8887360 69 F -1.2167551 -0.1012653 -0.0059606 -0.0940288 -1.0428866 -0.0235314 -0.0047168 -0.0145531 -0.9768752 70 F -0.9365759 0.1768466 0.0869767 0.1486007 -1.0374586 0.0453405 0.0860644 0.0492982 -1.2439868 71 F -1.2229217 -0.1200373 0.0136344 -0.1321929 -1.0756159 0.0105015 0.0132508 0.0157069 -1.0952807 72 F -1.1522212 0.1018945 -0.1053095 0.0895175 -1.0397787 0.0229982 -0.1019074 0.0375080 -1.0494773 ---------------------------------------------------------------------------- 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 3, 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 19, 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 27, 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 29, 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 35, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 39, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 59, 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 71, 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 75, 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 77, 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 83, 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 85, 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 89, 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 91, 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 93, 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 107, 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 111, 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 115, 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 117, 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 123, 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:01:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:01:24]------------------------- 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 (4) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.494283531008876 0.000000000000000 0.000000000000000 b 0.000000000000000 16.882252810000001 0.000000000000000 c -2.002862323003224 0.000000000000000 7.518218287032662 Atomic positions (fractional): 1 Sr 0.15518316284300 0.99746300478655 0.66246731260439 87.620 2 Sr 0.85521875319241 0.16755656975258 0.84174250803821 87.620 3 Sr 0.21273077450417 0.01650953641355 0.18324342380348 87.620 4 Sr 0.83398025846540 0.83254211429408 0.83508650334426 87.620 5 Sr 0.23154095467969 0.35282954773517 0.68241318105557 87.620 6 Sr 0.76845904532031 0.85282954773517 0.31758681894443 87.620 7 Sr 0.78726922549583 0.51650953641355 0.81675657619652 87.620 8 Sr 0.16601974153460 0.33254211429408 0.16491349665574 87.620 9 Sr 0.14478124680759 0.66755656975258 0.15825749196179 87.620 10 Sr 0.18134697535490 0.67869019306030 0.66735380035253 87.620 11 Sr 0.84481683715700 0.49746300478654 0.33753268739561 87.620 12 Sr 0.81865302464510 0.17869019306030 0.33264619964747 87.620 13 Mg 0.32693203082940 0.85511182915752 0.45572537869776 24.305 14 Mg 0.65635827254941 0.02342634222498 0.54127686385963 24.305 15 Mg 0.32673207793035 0.85782691871296 0.95638665497685 24.305 16 Mg 0.67326792206965 0.35782691871296 0.04361334502315 24.305 17 Mg 0.66775872862984 0.69172023991472 0.54032385632586 24.305 18 Mg 0.33990955673645 0.19088697349780 0.95643410471743 24.305 19 Mg 0.34364172745059 0.52342634222498 0.45872313614037 24.305 20 Mg 0.66071366539059 0.02276953961097 0.03783868558245 24.305 21 Mg 0.66009044326355 0.69088697349780 0.04356589528257 24.305 22 Mg 0.67306796917060 0.35511182915752 0.54427462130224 24.305 23 Mg 0.33928633460941 0.52276953961097 0.96216131441755 24.305 24 Mg 0.33224127137016 0.19172023991472 0.45967614367414 24.305 25 F 0.88878774399974 0.08721387654087 0.58544867491269 18.998 26 F 0.57122787048128 0.80450724537223 0.55232469166767 18.998 27 F 0.09779293068516 0.92298812533664 0.92988049745113 18.998 28 F 0.82943229862794 0.59797560703514 0.09964999989849 18.998 29 F 0.21444089143874 0.42305707094905 0.94812197751245 18.998 30 F 0.38396960353992 0.86970220737298 0.21959913052515 18.998 31 F 0.73007611255360 0.68885978889102 0.80927120653384 18.998 32 F 0.66369510675736 0.04718548029311 0.79032561714352 18.998 33 F 0.21246799197052 0.75289849504573 0.40863382795302 18.998 34 F 0.11121225600026 0.58721387654086 0.41455132508732 18.998 35 F 0.42877212951872 0.30450724537223 0.44767530833233 18.998 36 F 0.09957223671415 0.25745471162778 0.42872064814514 18.998 37 F 0.56691620451414 0.13253920372924 0.05806258947887 18.998 38 F 0.41798057036847 0.97146775554468 0.95280655372035 18.998 39 F 0.54778121185621 0.12820205942248 0.45580677072157 18.998 40 F 0.26992388744640 0.18885978889102 0.19072879346616 18.998 41 F 0.88639140007606 0.75866334707783 0.12684944056244 18.998 42 F 0.61561706868325 0.70652313718626 0.28058735487703 18.998 43 F 0.54882396832837 0.79658614852030 0.97189565730059 18.998 44 F 0.78753200802948 0.25289849504573 0.59136617204698 18.998 45 F 0.15941432878925 0.76325035409368 0.92829515129825 18.998 46 F 0.09511927847587 0.58202257311127 0.88458222616992 18.998 47 F 0.65083858829580 0.00261127109919 0.28844915335328 18.998 48 F 0.90220706931484 0.42298812533664 0.07011950254887 18.998 49 F 0.34916141170420 0.50261127109919 0.71155084664672 18.998 50 F 0.61603039646008 0.36970220737298 0.78040086947485 18.998 51 F 0.45117603167163 0.29658614852030 0.02810434269941 18.998 52 F 0.84058567121075 0.26325035409367 0.07170484870176 18.998 53 F 0.90042776328586 0.75745471162778 0.57127935185486 18.998 54 F 0.57844626695562 0.46682554072528 0.49324571759747 18.998 55 F 0.78555910856126 0.92305707094905 0.05187802248755 18.998 56 F 0.82160784441417 0.59617353767968 0.55995961772462 18.998 57 F 0.38438293131675 0.20652313718626 0.71941264512297 18.998 58 F 0.82921750236545 0.93155630372263 0.59860570466373 18.998 59 F 0.27241937937452 0.85672634289241 0.69288285164057 18.998 60 F 0.72758062062548 0.35672634289242 0.30711714835943 18.998 61 F 0.17056770137206 0.09797560703514 0.90035000010151 18.998 62 F 0.91166486362997 0.41800703756929 0.63013584337811 18.998 63 F 0.43308379548586 0.63253920372924 0.94193741052113 18.998 64 F 0.90488072152413 0.08202257311127 0.11541777383008 18.998 65 F 0.17839215558583 0.09617353767968 0.44004038227538 18.998 66 F 0.17078249763455 0.43155630372263 0.40139429533626 18.998 67 F 0.11360859992394 0.25866334707783 0.87315055943756 18.998 68 F 0.45221878814379 0.62820205942248 0.54419322927843 18.998 69 F 0.42155373304438 0.96682554072528 0.50675428240253 18.998 70 F 0.33630489324264 0.54718548029311 0.20967438285648 18.998 71 F 0.08833513637003 0.91800703756929 0.36986415662189 18.998 72 F 0.58201942963153 0.47146775554468 0.04719344627965 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.988567062017752 0.000000000000000 0.000000000000000 b 0.000000000000000 16.882252810000001 0.000000000000000 c -2.002862323003224 0.000000000000000 7.518218287032662 Atomic positions (fractional): 1 Sr 0.07759158142150 0.99746300478655 0.66246731260439 87.620 > 1 2 Sr 0.57759158142150 0.99746300478655 0.66246731260439 87.620 > 1 3 Sr 0.42760937659621 0.16755656975258 0.84174250803821 87.620 > 3 4 Sr 0.92760937659621 0.16755656975258 0.84174250803821 87.620 > 3 5 Sr 0.10636538725209 0.01650953641355 0.18324342380348 87.620 > 5 6 Sr 0.60636538725209 0.01650953641355 0.18324342380348 87.620 > 5 7 Sr 0.41699012923270 0.83254211429408 0.83508650334426 87.620 > 7 8 Sr 0.91699012923270 0.83254211429408 0.83508650334426 87.620 > 7 9 Sr 0.11577047733984 0.35282954773517 0.68241318105557 87.620 > 9 10 Sr 0.61577047733984 0.35282954773517 0.68241318105557 87.620 > 9 11 Sr 0.38422952266016 0.85282954773517 0.31758681894443 87.620 > 11 12 Sr 0.88422952266016 0.85282954773517 0.31758681894443 87.620 > 11 13 Sr 0.39363461274791 0.51650953641355 0.81675657619652 87.620 > 13 14 Sr 0.89363461274791 0.51650953641355 0.81675657619652 87.620 > 13 15 Sr 0.08300987076730 0.33254211429408 0.16491349665574 87.620 > 15 16 Sr 0.58300987076730 0.33254211429408 0.16491349665574 87.620 > 15 17 Sr 0.07239062340379 0.66755656975258 0.15825749196179 87.620 > 17 18 Sr 0.57239062340379 0.66755656975258 0.15825749196179 87.620 > 17 19 Sr 0.09067348767745 0.67869019306030 0.66735380035253 87.620 > 19 20 Sr 0.59067348767745 0.67869019306030 0.66735380035253 87.620 > 19 21 Sr 0.42240841857850 0.49746300478654 0.33753268739561 87.620 > 21 22 Sr 0.92240841857850 0.49746300478654 0.33753268739561 87.620 > 21 23 Sr 0.40932651232255 0.17869019306030 0.33264619964747 87.620 > 23 24 Sr 0.90932651232255 0.17869019306030 0.33264619964747 87.620 > 23 25 Mg 0.16346601541470 0.85511182915752 0.45572537869776 24.305 > 25 26 Mg 0.66346601541470 0.85511182915752 0.45572537869776 24.305 > 25 27 Mg 0.32817913627470 0.02342634222498 0.54127686385963 24.305 > 27 28 Mg 0.82817913627470 0.02342634222498 0.54127686385963 24.305 > 27 29 Mg 0.16336603896518 0.85782691871296 0.95638665497685 24.305 > 29 30 Mg 0.66336603896518 0.85782691871296 0.95638665497685 24.305 > 29 31 Mg 0.33663396103482 0.35782691871296 0.04361334502315 24.305 > 31 32 Mg 0.83663396103482 0.35782691871296 0.04361334502315 24.305 > 31 33 Mg 0.33387936431492 0.69172023991472 0.54032385632586 24.305 > 33 34 Mg 0.83387936431492 0.69172023991472 0.54032385632586 24.305 > 33 35 Mg 0.16995477836823 0.19088697349780 0.95643410471743 24.305 > 35 36 Mg 0.66995477836823 0.19088697349780 0.95643410471743 24.305 > 35 37 Mg 0.17182086372530 0.52342634222498 0.45872313614037 24.305 > 37 38 Mg 0.67182086372530 0.52342634222498 0.45872313614037 24.305 > 37 39 Mg 0.33035683269530 0.02276953961097 0.03783868558245 24.305 > 39 40 Mg 0.83035683269530 0.02276953961097 0.03783868558245 24.305 > 39 41 Mg 0.33004522163178 0.69088697349780 0.04356589528257 24.305 > 41 42 Mg 0.83004522163178 0.69088697349780 0.04356589528257 24.305 > 41 43 Mg 0.33653398458530 0.35511182915752 0.54427462130224 24.305 > 43 44 Mg 0.83653398458530 0.35511182915752 0.54427462130224 24.305 > 43 45 Mg 0.16964316730470 0.52276953961097 0.96216131441755 24.305 > 45 46 Mg 0.66964316730470 0.52276953961097 0.96216131441755 24.305 > 45 47 Mg 0.16612063568508 0.19172023991472 0.45967614367414 24.305 > 47 48 Mg 0.66612063568508 0.19172023991472 0.45967614367414 24.305 > 47 49 F 0.44439387199987 0.08721387654087 0.58544867491269 18.998 > 49 50 F 0.94439387199987 0.08721387654087 0.58544867491269 18.998 > 49 51 F 0.28561393524064 0.80450724537223 0.55232469166767 18.998 > 51 52 F 0.78561393524064 0.80450724537223 0.55232469166767 18.998 > 51 53 F 0.04889646534258 0.92298812533664 0.92988049745113 18.998 > 53 54 F 0.54889646534258 0.92298812533664 0.92988049745113 18.998 > 53 55 F 0.41471614931397 0.59797560703514 0.09964999989849 18.998 > 55 56 F 0.91471614931397 0.59797560703514 0.09964999989849 18.998 > 55 57 F 0.10722044571937 0.42305707094905 0.94812197751245 18.998 > 57 58 F 0.60722044571937 0.42305707094905 0.94812197751245 18.998 > 57 59 F 0.19198480176996 0.86970220737298 0.21959913052515 18.998 > 59 60 F 0.69198480176996 0.86970220737298 0.21959913052515 18.998 > 59 61 F 0.36503805627680 0.68885978889102 0.80927120653384 18.998 > 61 62 F 0.86503805627680 0.68885978889102 0.80927120653384 18.998 > 61 63 F 0.33184755337868 0.04718548029311 0.79032561714352 18.998 > 63 64 F 0.83184755337868 0.04718548029311 0.79032561714352 18.998 > 63 65 F 0.10623399598526 0.75289849504573 0.40863382795302 18.998 > 65 66 F 0.60623399598526 0.75289849504573 0.40863382795302 18.998 > 65 67 F 0.05560612800013 0.58721387654086 0.41455132508732 18.998 > 67 68 F 0.55560612800013 0.58721387654086 0.41455132508732 18.998 > 67 69 F 0.21438606475936 0.30450724537223 0.44767530833233 18.998 > 69 70 F 0.71438606475936 0.30450724537223 0.44767530833233 18.998 > 69 71 F 0.04978611835707 0.25745471162778 0.42872064814514 18.998 > 71 72 F 0.54978611835707 0.25745471162778 0.42872064814514 18.998 > 71 73 F 0.28345810225707 0.13253920372924 0.05806258947887 18.998 > 73 74 F 0.78345810225707 0.13253920372924 0.05806258947887 18.998 > 73 75 F 0.20899028518424 0.97146775554468 0.95280655372035 18.998 > 75 76 F 0.70899028518424 0.97146775554468 0.95280655372035 18.998 > 75 77 F 0.27389060592811 0.12820205942248 0.45580677072157 18.998 > 77 78 F 0.77389060592811 0.12820205942248 0.45580677072157 18.998 > 77 79 F 0.13496194372320 0.18885978889102 0.19072879346616 18.998 > 79 80 F 0.63496194372320 0.18885978889102 0.19072879346616 18.998 > 79 81 F 0.44319570003803 0.75866334707783 0.12684944056244 18.998 > 81 82 F 0.94319570003803 0.75866334707783 0.12684944056244 18.998 > 81 83 F 0.30780853434162 0.70652313718626 0.28058735487703 18.998 > 83 84 F 0.80780853434162 0.70652313718626 0.28058735487703 18.998 > 83 85 F 0.27441198416418 0.79658614852030 0.97189565730059 18.998 > 85 86 F 0.77441198416418 0.79658614852030 0.97189565730059 18.998 > 85 87 F 0.39376600401474 0.25289849504573 0.59136617204698 18.998 > 87 88 F 0.89376600401474 0.25289849504573 0.59136617204698 18.998 > 87 89 F 0.07970716439463 0.76325035409368 0.92829515129825 18.998 > 89 90 F 0.57970716439463 0.76325035409368 0.92829515129825 18.998 > 89 91 F 0.04755963923794 0.58202257311127 0.88458222616992 18.998 > 91 92 F 0.54755963923794 0.58202257311127 0.88458222616992 18.998 > 91 93 F 0.32541929414790 0.00261127109919 0.28844915335328 18.998 > 93 94 F 0.82541929414790 0.00261127109919 0.28844915335328 18.998 > 93 95 F 0.45110353465742 0.42298812533664 0.07011950254887 18.998 > 95 96 F 0.95110353465742 0.42298812533664 0.07011950254887 18.998 > 95 97 F 0.17458070585210 0.50261127109919 0.71155084664672 18.998 > 97 98 F 0.67458070585210 0.50261127109919 0.71155084664672 18.998 > 97 99 F 0.30801519823004 0.36970220737298 0.78040086947485 18.998 > 99 100 F 0.80801519823004 0.36970220737298 0.78040086947485 18.998 > 99 101 F 0.22558801583582 0.29658614852030 0.02810434269941 18.998 > 101 102 F 0.72558801583582 0.29658614852030 0.02810434269941 18.998 > 101 103 F 0.42029283560537 0.26325035409367 0.07170484870176 18.998 > 103 104 F 0.92029283560537 0.26325035409367 0.07170484870176 18.998 > 103 105 F 0.45021388164293 0.75745471162778 0.57127935185486 18.998 > 105 106 F 0.95021388164293 0.75745471162778 0.57127935185486 18.998 > 105 107 F 0.28922313347781 0.46682554072528 0.49324571759747 18.998 > 107 108 F 0.78922313347781 0.46682554072528 0.49324571759747 18.998 > 107 109 F 0.39277955428063 0.92305707094905 0.05187802248755 18.998 > 109 110 F 0.89277955428063 0.92305707094905 0.05187802248755 18.998 > 109 111 F 0.41080392220708 0.59617353767968 0.55995961772462 18.998 > 111 112 F 0.91080392220708 0.59617353767968 0.55995961772462 18.998 > 111 113 F 0.19219146565838 0.20652313718626 0.71941264512297 18.998 > 113 114 F 0.69219146565838 0.20652313718626 0.71941264512297 18.998 > 113 115 F 0.41460875118272 0.93155630372263 0.59860570466373 18.998 > 115 116 F 0.91460875118272 0.93155630372263 0.59860570466373 18.998 > 115 117 F 0.13620968968726 0.85672634289241 0.69288285164057 18.998 > 117 118 F 0.63620968968726 0.85672634289241 0.69288285164057 18.998 > 117 119 F 0.36379031031274 0.35672634289242 0.30711714835943 18.998 > 119 120 F 0.86379031031274 0.35672634289242 0.30711714835943 18.998 > 119 121 F 0.08528385068603 0.09797560703514 0.90035000010151 18.998 > 121 122 F 0.58528385068603 0.09797560703514 0.90035000010151 18.998 > 121 123 F 0.45583243181498 0.41800703756929 0.63013584337811 18.998 > 123 124 F 0.95583243181498 0.41800703756929 0.63013584337811 18.998 > 123 125 F 0.21654189774293 0.63253920372924 0.94193741052113 18.998 > 125 126 F 0.71654189774293 0.63253920372924 0.94193741052113 18.998 > 125 127 F 0.45244036076206 0.08202257311127 0.11541777383008 18.998 > 127 128 F 0.95244036076206 0.08202257311127 0.11541777383008 18.998 > 127 129 F 0.08919607779292 0.09617353767968 0.44004038227538 18.998 > 129 130 F 0.58919607779292 0.09617353767968 0.44004038227538 18.998 > 129 131 F 0.08539124881728 0.43155630372263 0.40139429533626 18.998 > 131 132 F 0.58539124881728 0.43155630372263 0.40139429533626 18.998 > 131 133 F 0.05680429996197 0.25866334707783 0.87315055943756 18.998 > 133 134 F 0.55680429996197 0.25866334707783 0.87315055943756 18.998 > 133 135 F 0.22610939407189 0.62820205942248 0.54419322927843 18.998 > 135 136 F 0.72610939407189 0.62820205942248 0.54419322927843 18.998 > 135 137 F 0.21077686652219 0.96682554072528 0.50675428240253 18.998 > 137 138 F 0.71077686652219 0.96682554072528 0.50675428240253 18.998 > 137 139 F 0.16815244662132 0.54718548029311 0.20967438285648 18.998 > 139 140 F 0.66815244662132 0.54718548029311 0.20967438285648 18.998 > 139 141 F 0.04416756818502 0.91800703756929 0.36986415662189 18.998 > 141 142 F 0.54416756818502 0.91800703756929 0.36986415662189 18.998 > 141 143 F 0.29100971481576 0.47146775554468 0.04719344627965 18.998 > 143 144 F 0.79100971481576 0.47146775554468 0.04719344627965 18.998 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.1715570 0.0000000 -0.0165421 0.0000000 2.2212613 0.0000000 -0.0165416 0.0000000 2.2295146 -------------------------- Born effective charges -------------------------- 1 Sr 2.2881750 -0.1198624 -0.0796945 -0.1107490 2.4550641 -0.0659513 -0.0655522 -0.0696057 2.5342000 2 Sr 2.2588723 0.1173310 -0.0354475 0.1071742 2.5028334 0.0194969 -0.0358559 0.0100680 2.5620802 3 Sr 2.2892947 -0.1280485 -0.0718493 -0.1269011 2.4813310 0.0092527 -0.0816377 0.0088142 2.5965110 4 Sr 2.2792555 0.1222559 -0.1099195 0.1088432 2.4532357 0.0628559 -0.0939711 0.0798601 2.5525343 5 Sr 2.2746963 -0.0403037 -0.0765290 -0.0272505 2.4678227 0.0037205 -0.0942925 0.0200691 2.5850132 6 Sr 2.2746963 0.0403037 -0.0765290 0.0272505 2.4678227 -0.0037205 -0.0942925 -0.0200691 2.5850132 7 Sr 2.2892947 0.1280485 -0.0718493 0.1269011 2.4813310 -0.0092527 -0.0816377 -0.0088142 2.5965110 8 Sr 2.2792555 -0.1222559 -0.1099195 -0.1088432 2.4532357 -0.0628559 -0.0939711 -0.0798601 2.5525343 9 Sr 2.2588723 -0.1173310 -0.0354475 -0.1071742 2.5028334 -0.0194969 -0.0358559 -0.0100680 2.5620802 10 Sr 2.3594728 -0.1250862 -0.0998408 -0.1232972 2.4218654 -0.0199756 -0.0967201 -0.0378441 2.5888771 11 Sr 2.2881750 0.1198624 -0.0796945 0.1107490 2.4550641 0.0659513 -0.0655522 0.0696057 2.5342000 12 Sr 2.3594728 0.1250862 -0.0998408 0.1232972 2.4218654 0.0199756 -0.0967201 0.0378441 2.5888771 13 Mg 2.0129386 -0.0513102 -0.0508073 -0.0299909 2.0570372 -0.0142677 -0.0553452 -0.0457550 1.9167398 14 Mg 1.9753923 0.0279586 0.0578077 -0.0165817 1.9972559 0.0597642 0.0464740 0.0450582 1.9668035 15 Mg 1.9567987 -0.0368098 0.0681927 -0.0048450 2.0186501 0.0195782 0.0705278 0.0300685 1.9772646 16 Mg 1.9567987 0.0368098 0.0681927 0.0048450 2.0186501 -0.0195782 0.0705278 -0.0300685 1.9772646 17 Mg 1.9383974 0.0750727 0.0113611 0.0115024 2.0508267 -0.0414965 0.0266180 -0.0435108 1.9675035 18 Mg 1.9865374 -0.0093320 -0.0048813 0.0186047 1.9954061 -0.0279495 -0.0207121 -0.0501752 1.9388738 19 Mg 1.9753923 -0.0279586 0.0578077 0.0165817 1.9972559 -0.0597642 0.0464740 -0.0450582 1.9668035 20 Mg 1.9796932 0.0987402 -0.0233061 0.0456823 2.0521375 -0.0589412 -0.0160414 -0.0172954 1.9392496 21 Mg 1.9865374 0.0093320 -0.0048813 -0.0186047 1.9954061 0.0279495 -0.0207121 0.0501752 1.9388738 22 Mg 2.0129386 0.0513102 -0.0508073 0.0299909 2.0570372 0.0142677 -0.0553452 0.0457550 1.9167398 23 Mg 1.9796932 -0.0987402 -0.0233061 -0.0456823 2.0521375 0.0589412 -0.0160414 0.0172954 1.9392496 24 Mg 1.9383974 -0.0750727 0.0113611 -0.0115024 2.0508267 0.0414965 0.0266180 0.0435108 1.9675035 25 F -1.0932475 0.1053184 -0.0168596 0.1286932 -1.1721982 0.0557719 -0.0158807 0.0568591 -1.1741639 26 F -1.1621177 0.0971706 -0.1037841 0.0924453 -1.0426109 0.0449327 -0.1017669 0.0551656 -1.0527231 27 F -1.1070761 -0.1327703 -0.0404933 -0.1543241 -1.1584815 -0.1120902 -0.0429052 -0.1091879 -1.1549271 28 F -1.0300015 -0.0221548 -0.0102233 -0.0242402 -1.2207413 0.0529474 -0.0275571 0.0523853 -1.1485746 29 F -0.9333713 -0.1036708 0.1747495 -0.1087857 -1.2295973 0.0281266 0.1738498 0.0314298 -1.2134606 30 F -1.0489459 0.0958600 0.0427717 0.0785932 -0.9593536 0.0203547 0.0504983 0.0253503 -1.2271993 31 F -0.8817499 -0.0702230 0.0899205 -0.0556472 -1.1886536 -0.0153616 0.0883440 -0.0192280 -1.2066471 32 F -0.9365759 -0.1768466 0.0869767 -0.1486007 -1.0374586 -0.0453405 0.0860644 -0.0492982 -1.2439868 33 F -0.8766732 -0.1361701 0.0610851 -0.1269256 -1.2440865 -0.0922279 0.0614319 -0.0908273 -1.2728890 34 F -1.0932475 -0.1053184 -0.0168596 -0.1286932 -1.1721982 -0.0557719 -0.0158807 -0.0568591 -1.1741639 35 F -1.1621177 -0.0971706 -0.1037841 -0.0924453 -1.0426109 -0.0449327 -0.1017669 -0.0551656 -1.0527231 36 F -1.1720949 -0.1345193 -0.0611893 -0.1565547 -1.1294948 -0.0922499 -0.0621610 -0.0876587 -1.1296651 37 F -1.1549587 0.1013726 -0.1381983 0.1032333 -1.0747358 -0.0038776 -0.1305659 -0.0128913 -0.9968438 38 F -1.1522212 -0.1018945 -0.1053095 -0.0895175 -1.0397787 -0.0229982 -0.1019074 -0.0375080 -1.0494773 39 F -1.2236762 0.0860422 0.0036254 0.0809268 -1.0815887 0.0575858 -0.0130380 0.0565681 -0.8887360 40 F -0.8817499 0.0702230 0.0899205 0.0556472 -1.1886536 0.0153616 0.0883440 0.0192280 -1.2066471 41 F -1.1496939 0.1747048 0.0465965 0.2053891 -1.1698544 -0.0189213 0.0467930 -0.0191892 -1.1009549 42 F -0.9183451 -0.0840152 0.0863530 -0.0674929 -1.0044149 -0.0179854 0.0911696 -0.0218128 -1.2552012 43 F -1.1935563 0.1252183 -0.0169636 0.1278936 -1.0508583 0.0226480 -0.0221547 0.0143655 -0.9386207 44 F -0.8766732 0.1361701 0.0610851 0.1269256 -1.2440865 0.0922279 0.0614319 0.0908273 -1.2728890 45 F -1.0624530 -0.0442727 0.0514303 -0.0423104 -1.2353267 0.0532412 0.0609020 0.0488010 -1.1313604 46 F -1.2212098 -0.0922093 -0.0080977 -0.1058910 -1.0997151 -0.0322153 -0.0050751 -0.0190532 -1.1187821 47 F -0.9398123 0.0311544 0.0731510 0.0485237 -1.0954150 0.0074411 0.0766452 0.0046585 -1.2125124 48 F -1.1070761 0.1327703 -0.0404933 0.1543241 -1.1584815 0.1120902 -0.0429052 0.1091879 -1.1549271 49 F -0.9398123 -0.0311544 0.0731510 -0.0485237 -1.0954150 -0.0074411 0.0766452 -0.0046585 -1.2125124 50 F -1.0489459 -0.0958600 0.0427717 -0.0785932 -0.9593536 -0.0203547 0.0504983 -0.0253503 -1.2271993 51 F -1.1935563 -0.1252183 -0.0169636 -0.1278936 -1.0508583 -0.0226480 -0.0221547 -0.0143655 -0.9386207 52 F -1.0624530 0.0442727 0.0514303 0.0423104 -1.2353267 -0.0532412 0.0609020 -0.0488010 -1.1313604 53 F -1.1720949 0.1345193 -0.0611893 0.1565547 -1.1294948 0.0922499 -0.0621610 0.0876587 -1.1296651 54 F -1.2167551 0.1012653 -0.0059606 0.0940288 -1.0428866 0.0235314 -0.0047168 0.0145531 -0.9768752 55 F -0.9333713 0.1036708 0.1747495 0.1087857 -1.2295973 -0.0281266 0.1738498 -0.0314298 -1.2134606 56 F -0.9920284 0.0508132 0.1071656 0.0594729 -1.2511223 -0.0379651 0.1193851 -0.0398433 -1.1491335 57 F -0.9183451 0.0840152 0.0863530 0.0674929 -1.0044149 0.0179854 0.0911696 0.0218128 -1.2552012 58 F -1.0345529 -0.0255964 -0.0293583 -0.0226490 -1.1972197 0.0366109 -0.0353887 0.0412260 -1.1717859 59 F -0.8754853 0.0803220 0.1138918 0.0736080 -1.1522569 0.0192617 0.1112917 0.0205656 -1.2158498 60 F -0.8754853 -0.0803220 0.1138918 -0.0736080 -1.1522569 -0.0192617 0.1112917 -0.0205656 -1.2158498 61 F -1.0300015 0.0221548 -0.0102233 0.0242402 -1.2207413 -0.0529474 -0.0275571 -0.0523853 -1.1485746 62 F -1.2229217 0.1200373 0.0136344 0.1321929 -1.0756159 -0.0105015 0.0132508 -0.0157069 -1.0952807 63 F -1.1549587 -0.1013726 -0.1381983 -0.1032333 -1.0747358 0.0038776 -0.1305659 0.0128913 -0.9968438 64 F -1.2212098 0.0922093 -0.0080977 0.1058910 -1.0997151 0.0322153 -0.0050751 0.0190532 -1.1187821 65 F -0.9920284 -0.0508132 0.1071656 -0.0594729 -1.2511223 0.0379651 0.1193851 0.0398433 -1.1491335 66 F -1.0345529 0.0255964 -0.0293583 0.0226490 -1.1972197 -0.0366109 -0.0353887 -0.0412260 -1.1717859 67 F -1.1496939 -0.1747048 0.0465965 -0.2053891 -1.1698544 0.0189213 0.0467930 0.0191892 -1.1009549 68 F -1.2236762 -0.0860422 0.0036254 -0.0809268 -1.0815887 -0.0575858 -0.0130380 -0.0565681 -0.8887360 69 F -1.2167551 -0.1012653 -0.0059606 -0.0940288 -1.0428866 -0.0235314 -0.0047168 -0.0145531 -0.9768752 70 F -0.9365759 0.1768466 0.0869767 0.1486007 -1.0374586 0.0453405 0.0860644 0.0492982 -1.2439868 71 F -1.2229217 -0.1200373 0.0136344 -0.1321929 -1.0756159 0.0105015 0.0132508 0.0157069 -1.0952807 72 F -1.1522212 0.1018945 -0.1053095 0.0895175 -1.0397787 0.0229982 -0.1019074 0.0375080 -1.0494773 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) --------------------------- 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 3 7 ] 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: 0.42, Number of G-points: 297, Lambda: 0.07 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/50) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 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 1.463 ( 0.000 0.000 0.000) 0.000 1.549 ( 0.000 0.000 0.000) 0.000 1.651 ( 0.000 0.000 0.000) 0.000 1.666 ( 0.000 0.000 0.000) 0.000 1.980 ( 0.000 0.000 0.000) 0.000 1.998 ( 0.000 0.000 0.000) 0.000 2.062 ( 0.000 0.000 0.000) 0.000 2.070 ( 0.000 0.000 0.000) 0.000 2.210 ( 0.000 0.000 0.000) 0.000 2.328 ( 0.000 0.000 0.000) 0.000 2.427 ( 0.000 0.000 0.000) 0.000 2.541 ( 0.000 0.000 0.000) 0.000 2.575 ( 0.000 0.000 0.000) 0.000 2.576 ( 0.000 0.000 0.000) 0.000 2.658 ( 0.000 0.000 0.000) 0.000 2.743 ( 0.000 0.000 0.000) 0.000 2.807 ( 0.000 0.000 0.000) 0.000 2.819 ( 0.000 0.000 0.000) 0.000 2.872 ( 0.000 0.000 0.000) 0.000 2.925 ( 0.000 0.000 0.000) 0.000 2.953 ( 0.000 0.000 0.000) 0.000 3.007 ( 0.000 0.000 0.000) 0.000 3.040 ( 0.000 0.000 0.000) 0.000 3.068 ( 0.000 0.000 0.000) 0.000 3.116 ( 0.000 0.000 0.000) 0.000 3.188 ( 0.000 0.000 0.000) 0.000 3.240 ( 0.000 0.000 0.000) 0.000 3.297 ( 0.000 0.000 0.000) 0.000 3.297 ( 0.000 0.000 0.000) 0.000 3.347 ( 0.000 0.000 0.000) 0.000 3.410 ( 0.000 0.000 0.000) 0.000 3.435 ( 0.000 0.000 0.000) 0.000 3.509 ( 0.000 0.000 0.000) 0.000 3.564 ( 0.000 0.000 0.000) 0.000 3.673 ( 0.000 0.000 0.000) 0.000 3.729 ( 0.000 0.000 0.000) 0.000 3.803 ( 0.000 0.000 0.000) 0.000 3.826 ( 0.000 0.000 0.000) 0.000 3.865 ( 0.000 0.000 0.000) 0.000 3.942 ( 0.000 0.000 0.000) 0.000 3.972 ( 0.000 0.000 0.000) 0.000 4.026 ( 0.000 0.000 0.000) 0.000 4.078 ( 0.000 0.000 0.000) 0.000 4.227 ( 0.000 0.000 0.000) 0.000 4.282 ( 0.000 0.000 0.000) 0.000 4.384 ( 0.000 0.000 0.000) 0.000 4.398 ( 0.000 0.000 0.000) 0.000 4.448 ( 0.000 0.000 0.000) 0.000 4.478 ( 0.000 0.000 0.000) 0.000 4.505 ( 0.000 0.000 0.000) 0.000 4.588 ( 0.000 0.000 0.000) 0.000 4.615 ( 0.000 0.000 0.000) 0.000 4.672 ( 0.000 0.000 0.000) 0.000 4.714 ( 0.000 0.000 0.000) 0.000 4.757 ( 0.000 0.000 0.000) 0.000 4.769 ( 0.000 0.000 0.000) 0.000 4.821 ( 0.000 0.000 0.000) 0.000 4.917 ( 0.000 0.000 0.000) 0.000 4.988 ( 0.000 0.000 0.000) 0.000 5.032 ( 0.000 0.000 0.000) 0.000 5.102 ( 0.000 0.000 0.000) 0.000 5.147 ( 0.000 0.000 0.000) 0.000 5.285 ( 0.000 0.000 0.000) 0.000 5.376 ( 0.000 0.000 0.000) 0.000 5.433 ( 0.000 0.000 0.000) 0.000 5.467 ( 0.000 0.000 0.000) 0.000 5.530 ( 0.000 0.000 0.000) 0.000 5.565 ( 0.000 0.000 0.000) 0.000 5.655 ( 0.000 0.000 0.000) 0.000 5.742 ( 0.000 0.000 0.000) 0.000 5.763 ( 0.000 0.000 0.000) 0.000 5.795 ( 0.000 0.000 0.000) 0.000 5.951 ( 0.000 0.000 0.000) 0.000 6.039 ( 0.000 0.000 0.000) 0.000 6.061 ( 0.000 0.000 0.000) 0.000 6.102 ( 0.000 0.000 0.000) 0.000 6.132 ( 0.000 0.000 0.000) 0.000 6.187 ( 0.000 0.000 0.000) 0.000 6.216 ( 0.000 0.000 0.000) 0.000 6.255 ( 0.000 0.000 0.000) 0.000 6.279 ( 0.000 0.000 0.000) 0.000 6.306 ( 0.000 0.000 0.000) 0.000 6.379 ( 0.000 0.000 0.000) 0.000 6.390 ( 0.000 0.000 0.000) 0.000 6.468 ( 0.000 0.000 0.000) 0.000 6.553 ( 0.000 0.000 0.000) 0.000 6.558 ( 0.000 0.000 0.000) 0.000 6.611 ( 0.000 0.000 0.000) 0.000 6.616 ( 0.000 0.000 0.000) 0.000 6.690 ( 0.000 0.000 0.000) 0.000 6.742 ( 0.000 0.000 0.000) 0.000 6.755 ( 0.000 0.000 0.000) 0.000 6.794 ( 0.000 0.000 0.000) 0.000 6.846 ( 0.000 0.000 0.000) 0.000 6.868 ( 0.000 0.000 0.000) 0.000 6.893 ( 0.000 0.000 0.000) 0.000 6.957 ( 0.000 0.000 0.000) 0.000 6.990 ( 0.000 0.000 0.000) 0.000 6.997 ( 0.000 0.000 0.000) 0.000 7.008 ( 0.000 0.000 0.000) 0.000 7.094 ( 0.000 0.000 0.000) 0.000 7.218 ( 0.000 0.000 0.000) 0.000 7.303 ( 0.000 0.000 0.000) 0.000 7.308 ( 0.000 0.000 0.000) 0.000 7.393 ( 0.000 0.000 0.000) 0.000 7.397 ( 0.000 0.000 0.000) 0.000 7.419 ( 0.000 0.000 0.000) 0.000 7.452 ( 0.000 0.000 0.000) 0.000 7.669 ( 0.000 0.000 0.000) 0.000 7.715 ( 0.000 0.000 0.000) 0.000 7.781 ( 0.000 0.000 0.000) 0.000 7.830 ( 0.000 0.000 0.000) 0.000 7.904 ( 0.000 0.000 0.000) 0.000 7.940 ( 0.000 0.000 0.000) 0.000 7.966 ( 0.000 0.000 0.000) 0.000 7.968 ( 0.000 0.000 0.000) 0.000 8.089 ( 0.000 0.000 0.000) 0.000 8.180 ( 0.000 0.000 0.000) 0.000 8.248 ( 0.000 0.000 0.000) 0.000 8.262 ( 0.000 0.000 0.000) 0.000 8.308 ( 0.000 0.000 0.000) 0.000 8.347 ( 0.000 0.000 0.000) 0.000 8.380 ( 0.000 0.000 0.000) 0.000 8.406 ( 0.000 0.000 0.000) 0.000 8.489 ( 0.000 0.000 0.000) 0.000 8.533 ( 0.000 0.000 0.000) 0.000 8.549 ( 0.000 0.000 0.000) 0.000 8.611 ( 0.000 0.000 0.000) 0.000 8.618 ( 0.000 0.000 0.000) 0.000 8.642 ( 0.000 0.000 0.000) 0.000 8.723 ( 0.000 0.000 0.000) 0.000 8.795 ( 0.000 0.000 0.000) 0.000 8.836 ( 0.000 0.000 0.000) 0.000 8.895 ( 0.000 0.000 0.000) 0.000 8.930 ( 0.000 0.000 0.000) 0.000 8.977 ( 0.000 0.000 0.000) 0.000 9.050 ( 0.000 0.000 0.000) 0.000 9.125 ( 0.000 0.000 0.000) 0.000 9.202 ( 0.000 0.000 0.000) 0.000 9.243 ( 0.000 0.000 0.000) 0.000 9.303 ( 0.000 0.000 0.000) 0.000 9.316 ( 0.000 0.000 0.000) 0.000 9.411 ( 0.000 0.000 0.000) 0.000 9.442 ( 0.000 0.000 0.000) 0.000 9.520 ( 0.000 0.000 0.000) 0.000 9.567 ( 0.000 0.000 0.000) 0.000 9.620 ( 0.000 0.000 0.000) 0.000 9.630 ( 0.000 0.000 0.000) 0.000 9.662 ( 0.000 0.000 0.000) 0.000 9.727 ( 0.000 0.000 0.000) 0.000 9.881 ( 0.000 0.000 0.000) 0.000 9.960 ( 0.000 0.000 0.000) 0.000 10.018 ( 0.000 0.000 0.000) 0.000 10.121 ( 0.000 0.000 0.000) 0.000 10.131 ( 0.000 0.000 0.000) 0.000 10.344 ( 0.000 0.000 0.000) 0.000 10.361 ( 0.000 0.000 0.000) 0.000 10.483 ( 0.000 0.000 0.000) 0.000 10.516 ( 0.000 0.000 0.000) 0.000 10.540 ( 0.000 0.000 0.000) 0.000 10.619 ( 0.000 0.000 0.000) 0.000 10.780 ( 0.000 0.000 0.000) 0.000 10.836 ( 0.000 0.000 0.000) 0.000 10.893 ( 0.000 0.000 0.000) 0.000 10.987 ( 0.000 0.000 0.000) 0.000 11.011 ( 0.000 0.000 0.000) 0.000 11.430 ( 0.000 0.000 0.000) 0.000 11.622 ( 0.000 0.000 0.000) 0.000 11.763 ( 0.000 0.000 0.000) 0.000 11.770 ( 0.000 0.000 0.000) 0.000 11.953 ( 0.000 0.000 0.000) 0.000 12.001 ( 0.000 0.000 0.000) 0.000 12.152 ( 0.000 0.000 0.000) 0.000 12.343 ( 0.000 0.000 0.000) 0.000 12.391 ( 0.000 0.000 0.000) 0.000 12.440 ( 0.000 0.000 0.000) 0.000 12.560 ( 0.000 0.000 0.000) 0.000 12.568 ( 0.000 0.000 0.000) 0.000 12.634 ( 0.000 0.000 0.000) 0.000 12.670 ( 0.000 0.000 0.000) 0.000 12.810 ( 0.000 0.000 0.000) 0.000 12.840 ( 0.000 0.000 0.000) 0.000 13.004 ( 0.000 0.000 0.000) 0.000 13.222 ( 0.000 0.000 0.000) 0.000 13.257 ( 0.000 0.000 0.000) 0.000 13.331 ( 0.000 0.000 0.000) 0.000 13.344 ( 0.000 0.000 0.000) 0.000 13.594 ( 0.000 0.000 0.000) 0.000 13.608 ( 0.000 0.000 0.000) 0.000 13.660 ( 0.000 0.000 0.000) 0.000 13.828 ( 0.000 0.000 0.000) 0.000 13.872 ( 0.000 0.000 0.000) 0.000 13.917 ( 0.000 0.000 0.000) 0.000 14.218 ( 0.000 0.000 0.000) 0.000 14.221 ( 0.000 0.000 0.000) 0.000 14.346 ( 0.000 0.000 0.000) 0.000 14.351 ( 0.000 0.000 0.000) 0.000 14.488 ( 0.000 0.000 0.000) 0.000 14.490 ( 0.000 0.000 0.000) 0.000 14.709 ( 0.000 0.000 0.000) 0.000 14.790 ( 0.000 0.000 0.000) 0.000 14.801 ( 0.000 0.000 0.000) 0.000 14.913 ( 0.000 0.000 0.000) 0.000 15.083 ( 0.000 0.000 0.000) 0.000 15.108 ( 0.000 0.000 0.000) 0.000 15.174 ( 0.000 0.000 0.000) 0.000 15.215 ( 0.000 0.000 0.000) 0.000 15.411 ( 0.000 0.000 0.000) 0.000 15.497 ( 0.000 0.000 0.000) 0.000 15.507 ( 0.000 0.000 0.000) 0.000 15.756 ( 0.000 0.000 0.000) 0.000 16.480 ( 0.000 0.000 0.000) 0.000 16.661 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/50) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( 25.978 0.000 7.845) 27.136 0.571 ( 26.557 0.000 9.687) 28.269 0.915 ( 39.115 0.000 16.162) 42.323 1.461 ( -0.400 0.000 1.263) 1.325 1.513 ( -3.558 0.000 3.023) 4.669 1.643 ( -2.514 0.000 0.530) 2.570 1.690 ( -0.791 0.000 -0.471) 0.921 1.986 ( 0.743 0.000 0.496) 0.893 2.088 ( 1.294 0.000 4.324) 4.514 2.095 ( 2.591 0.000 0.840) 2.724 2.160 ( 4.771 0.000 1.569) 5.023 2.323 ( 1.281 0.000 -2.441) 2.757 2.392 ( 3.728 0.000 -4.716) 6.011 2.428 ( -5.653 0.000 5.772) 8.078 2.474 ( -2.131 0.000 1.528) 2.623 2.575 ( 0.430 0.000 2.244) 2.284 2.638 ( 2.254 0.000 -2.944) 3.708 2.651 ( -5.847 0.000 -3.020) 6.581 2.720 ( -1.710 0.000 0.132) 1.715 2.810 ( -2.302 0.000 -3.533) 4.217 2.834 ( -0.592 0.000 1.560) 1.669 2.860 ( 0.639 0.000 -3.233) 3.296 2.925 ( 0.321 0.000 -5.481) 5.490 2.951 ( -1.966 0.000 0.685) 2.082 2.989 ( -0.410 0.000 -1.192) 1.261 3.054 ( -1.761 0.000 -2.390) 2.969 3.099 ( 2.020 0.000 1.975) 2.825 3.203 ( -0.914 0.000 3.778) 3.887 3.231 ( 7.575 0.000 0.402) 7.586 3.274 ( -0.902 0.000 -1.873) 2.079 3.293 ( 0.327 0.000 1.197) 1.241 3.369 ( 4.421 0.000 -0.439) 4.443 3.437 ( 2.033 0.000 -2.476) 3.204 3.466 ( 2.913 0.000 -0.387) 2.938 3.528 ( 2.562 0.000 0.371) 2.589 3.563 ( 0.751 0.000 7.347) 7.385 3.669 ( 5.587 0.000 -11.644) 12.915 3.688 ( 0.708 0.000 3.245) 3.321 3.740 ( 0.978 0.000 -9.028) 9.081 3.820 ( 0.964 0.000 0.500) 1.086 3.861 ( 1.360 0.000 -3.644) 3.889 3.921 ( -3.645 0.000 2.935) 4.680 3.956 ( -0.063 0.000 0.213) 0.222 3.995 ( 1.778 0.000 -6.378) 6.622 4.049 ( 1.959 0.000 -1.926) 2.747 4.068 ( -0.268 0.000 -2.273) 2.288 4.246 ( -1.550 0.000 4.984) 5.219 4.275 ( 0.033 0.000 1.105) 1.106 4.353 ( -4.086 0.000 -0.078) 4.086 4.443 ( -3.582 0.000 4.595) 5.826 4.481 ( 2.229 0.000 2.038) 3.020 4.538 ( 5.406 0.000 -7.833) 9.517 4.585 ( 2.367 0.000 -0.742) 2.481 4.621 ( -0.817 0.000 -1.495) 1.703 4.658 ( -2.342 0.000 13.063) 13.271 4.693 ( -1.581 0.000 -1.622) 2.265 4.741 ( -1.207 0.000 3.740) 3.929 4.789 ( 1.153 0.000 4.428) 4.576 4.845 ( 1.780 0.000 2.558) 3.116 4.859 ( 0.293 0.000 -3.605) 3.617 4.965 ( 1.214 0.000 -5.737) 5.864 4.998 ( 1.256 0.000 -1.690) 2.106 5.022 ( 0.072 0.000 -2.337) 2.338 5.085 ( 0.218 0.000 0.191) 0.289 5.191 ( 1.382 0.000 -1.635) 2.141 5.329 ( 0.931 0.000 0.642) 1.131 5.379 ( -1.131 0.000 3.773) 3.939 5.450 ( -0.619 0.000 -3.420) 3.476 5.483 ( 0.011 0.000 -2.335) 2.335 5.554 ( -0.877 0.000 0.139) 0.888 5.609 ( 0.413 0.000 0.745) 0.852 5.676 ( 0.775 0.000 1.341) 1.548 5.729 ( -1.327 0.000 -0.856) 1.579 5.750 ( -2.312 0.000 -0.594) 2.387 5.894 ( -8.309 0.000 -0.706) 8.339 5.926 ( -3.812 0.000 -1.002) 3.941 5.984 ( 1.559 0.000 -1.138) 1.930 6.012 ( -4.697 0.000 -3.158) 5.660 6.083 ( -1.087 0.000 -0.089) 1.090 6.137 ( -2.163 0.000 3.740) 4.321 6.160 ( -3.621 0.000 2.693) 4.513 6.245 ( 0.983 0.000 -0.503) 1.105 6.263 ( -2.483 0.000 5.477) 6.013 6.285 ( -0.816 0.000 0.018) 0.816 6.328 ( 1.630 0.000 -5.365) 5.607 6.424 ( 2.819 0.000 -0.880) 2.953 6.466 ( -0.490 0.000 1.650) 1.721 6.509 ( 1.440 0.000 -0.987) 1.746 6.532 ( -3.430 0.000 1.065) 3.592 6.557 ( 2.422 0.000 -1.411) 2.803 6.599 ( 0.996 0.000 -0.531) 1.129 6.623 ( -1.886 0.000 -5.303) 5.629 6.653 ( 0.538 0.000 1.868) 1.944 6.741 ( -2.891 0.000 -1.729) 3.369 6.758 ( 0.085 0.000 0.402) 0.411 6.784 ( 1.109 0.000 2.005) 2.292 6.879 ( 2.456 0.000 0.993) 2.649 6.889 ( 2.069 0.000 2.791) 3.475 6.950 ( 2.682 0.000 5.383) 6.014 6.964 ( 2.364 0.000 3.341) 4.093 6.970 ( 1.143 0.000 0.401) 1.211 7.024 ( 2.616 0.000 -1.679) 3.108 7.116 ( 5.054 0.000 2.078) 5.464 7.166 ( 2.592 0.000 0.037) 2.593 7.241 ( 5.611 0.000 -2.946) 6.337 7.320 ( 0.233 0.000 2.193) 2.205 7.354 ( 2.855 0.000 0.654) 2.929 7.431 ( -0.283 0.000 0.246) 0.375 7.454 ( 6.896 0.000 -1.371) 7.031 7.476 ( 4.507 0.000 2.533) 5.170 7.527 ( 7.157 0.000 3.551) 7.989 7.636 ( -1.532 0.000 -0.615) 1.650 7.708 ( -3.630 0.000 1.624) 3.976 7.783 ( 3.925 0.000 -3.617) 5.337 7.831 ( 0.067 0.000 0.508) 0.513 7.886 ( -2.873 0.000 0.939) 3.022 7.935 ( 1.642 0.000 -2.436) 2.938 8.005 ( 4.281 0.000 -1.684) 4.600 8.016 ( 2.113 0.000 -1.153) 2.407 8.104 ( -1.128 0.000 0.943) 1.471 8.186 ( -0.381 0.000 2.432) 2.461 8.214 ( -1.706 0.000 -0.672) 1.833 8.224 ( -2.043 0.000 0.396) 2.081 8.294 ( -1.710 0.000 -2.175) 2.767 8.317 ( -1.890 0.000 -1.618) 2.488 8.382 ( -0.599 0.000 -1.522) 1.636 8.459 ( -1.485 0.000 2.856) 3.219 8.465 ( -2.417 0.000 2.554) 3.516 8.526 ( -2.170 0.000 -0.374) 2.202 8.539 ( 1.010 0.000 2.041) 2.277 8.598 ( -2.427 0.000 -4.463) 5.081 8.609 ( -2.358 0.000 -1.168) 2.631 8.642 ( -1.997 0.000 5.267) 5.633 8.709 ( -0.525 0.000 0.838) 0.990 8.796 ( 1.510 0.000 -2.895) 3.265 8.850 ( -1.718 0.000 -3.491) 3.891 8.872 ( 0.396 0.000 1.508) 1.559 8.973 ( -2.223 0.000 -1.226) 2.538 9.019 ( 5.428 0.000 -5.972) 8.071 9.042 ( -1.939 0.000 -1.545) 2.479 9.154 ( 0.611 0.000 0.101) 0.619 9.206 ( 0.126 0.000 -1.513) 1.518 9.275 ( -1.231 0.000 -0.844) 1.493 9.311 ( 0.550 0.000 0.655) 0.855 9.358 ( 1.538 0.000 -2.137) 2.633 9.431 ( -2.705 0.000 -2.519) 3.696 9.485 ( 0.331 0.000 0.145) 0.362 9.521 ( 0.512 0.000 -2.042) 2.105 9.592 ( -1.071 0.000 1.893) 2.175 9.614 ( -1.180 0.000 -0.916) 1.494 9.639 ( 2.765 0.000 0.424) 2.797 9.719 ( 2.011 0.000 0.683) 2.124 9.740 ( 0.899 0.000 2.792) 2.933 9.877 ( -1.216 0.000 0.241) 1.239 9.947 ( -1.310 0.000 2.721) 3.020 10.040 ( -1.352 0.000 1.734) 2.199 10.119 ( 0.327 0.000 1.923) 1.950 10.151 ( 1.879 0.000 -1.232) 2.247 10.249 ( -5.212 0.000 -2.998) 6.013 10.329 ( -3.991 0.000 -0.491) 4.021 10.453 ( -5.259 0.000 -3.214) 6.164 10.470 ( -2.119 0.000 1.360) 2.518 10.530 ( -0.093 0.000 0.349) 0.361 10.614 ( -3.875 0.000 -0.173) 3.879 10.782 ( -2.657 0.000 -0.679) 2.742 10.877 ( -2.305 0.000 4.045) 4.656 10.925 ( -5.579 0.000 4.425) 7.121 10.945 ( -4.221 0.000 2.841) 5.088 11.389 ( -1.824 0.000 -0.090) 1.826 11.513 ( 1.043 0.000 2.621) 2.821 11.689 ( -0.577 0.000 0.650) 0.869 11.766 ( 0.691 0.000 -0.259) 0.738 11.842 ( 2.788 0.000 0.639) 2.860 12.055 ( -2.339 0.000 -0.631) 2.422 12.155 ( 4.944 0.000 -2.434) 5.511 12.224 ( -0.723 0.000 2.835) 2.926 12.349 ( -2.016 0.000 -0.199) 2.026 12.429 ( -2.581 0.000 -1.413) 2.943 12.465 ( -1.906 0.000 -2.346) 3.023 12.577 ( 2.723 0.000 -5.269) 5.931 12.633 ( 2.101 0.000 0.470) 2.153 12.679 ( 1.246 0.000 -2.526) 2.817 12.853 ( 2.722 0.000 2.511) 3.704 12.899 ( 4.656 0.000 -4.179) 6.256 12.933 ( -2.273 0.000 -4.358) 4.915 13.012 ( -2.525 0.000 7.045) 7.484 13.195 ( -2.022 0.000 -1.035) 2.272 13.256 ( 0.222 0.000 -5.335) 5.339 13.294 ( -2.503 0.000 -0.147) 2.507 13.367 ( 0.775 0.000 -0.355) 0.853 13.538 ( -6.786 0.000 1.284) 6.906 13.608 ( -4.635 0.000 8.529) 9.707 13.662 ( 2.859 0.000 5.460) 6.163 13.866 ( 3.537 0.000 -6.265) 7.194 13.878 ( 1.776 0.000 -1.254) 2.175 14.073 ( 7.413 0.000 3.863) 8.359 14.218 ( 0.634 0.000 -3.425) 3.483 14.235 ( 0.902 0.000 2.815) 2.956 14.356 ( -0.213 0.000 4.016) 4.022 14.363 ( 1.117 0.000 -0.640) 1.287 14.506 ( 2.241 0.000 -0.795) 2.378 14.555 ( 0.454 0.000 -1.874) 1.928 14.722 ( 1.649 0.000 -0.181) 1.659 14.808 ( 0.737 0.000 -0.141) 0.750 14.823 ( 0.910 0.000 -3.657) 3.769 15.063 ( -1.888 0.000 1.014) 2.143 15.086 ( -0.035 0.000 -0.892) 0.893 15.148 ( -0.284 0.000 -0.135) 0.314 15.247 ( 3.634 0.000 0.819) 3.726 15.261 ( -1.643 0.000 5.278) 5.528 15.427 ( 1.487 0.000 0.422) 1.546 15.520 ( 2.404 0.000 0.223) 2.415 15.749 ( -0.339 0.000 0.228) 0.409 16.316 ( -4.451 0.000 -1.382) 4.661 16.517 ( -6.874 0.000 0.192) 6.877 16.924 ( -1.589 0.000 -3.019) 3.412 ======================= Grid point 2 (3/50) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 23.214 0.000 7.316) 24.340 1.085 ( 21.032 0.000 8.398) 22.647 1.371 ( 1.901 0.000 7.560) 7.795 1.421 ( -1.769 0.000 3.647) 4.053 1.560 ( 4.523 0.000 2.047) 4.965 1.721 ( 7.177 0.000 1.673) 7.369 1.834 ( 15.720 0.000 2.927) 15.990 2.034 ( 2.596 0.000 6.504) 7.003 2.138 ( 0.755 0.000 5.633) 5.684 2.175 ( 5.435 0.000 -0.419) 5.452 2.252 ( 5.016 0.000 1.009) 5.117 2.327 ( -5.573 0.000 3.614) 6.642 2.356 ( 3.509 0.000 -6.808) 7.659 2.444 ( -2.254 0.000 -3.359) 4.045 2.461 ( -4.979 0.000 -3.243) 5.942 2.512 ( 1.349 0.000 1.864) 2.301 2.577 ( 2.616 0.000 -5.527) 6.115 2.617 ( -2.355 0.000 -3.797) 4.467 2.644 ( -2.313 0.000 -1.151) 2.583 2.755 ( -2.952 0.000 3.338) 4.456 2.824 ( -2.805 0.000 1.470) 3.167 2.864 ( -0.751 0.000 -5.918) 5.965 2.886 ( -0.354 0.000 4.347) 4.362 2.936 ( -0.881 0.000 -2.744) 2.883 2.951 ( 0.051 0.000 -3.539) 3.540 3.054 ( 2.408 0.000 -1.655) 2.922 3.097 ( -4.565 0.000 1.325) 4.754 3.184 ( 0.188 0.000 -2.369) 2.377 3.215 ( -1.666 0.000 -2.321) 2.857 3.279 ( -1.249 0.000 1.235) 1.756 3.401 ( 5.247 0.000 -0.986) 5.339 3.417 ( 2.245 0.000 -2.447) 3.320 3.476 ( 1.819 0.000 -4.150) 4.532 3.525 ( 0.879 0.000 -2.147) 2.320 3.574 ( 3.531 0.000 0.132) 3.533 3.625 ( 2.680 0.000 5.884) 6.466 3.677 ( -1.224 0.000 -4.914) 5.064 3.696 ( 0.672 0.000 -2.574) 2.660 3.761 ( 4.752 0.000 -5.234) 7.069 3.797 ( -3.219 0.000 1.321) 3.479 3.877 ( 2.770 0.000 -2.271) 3.582 3.904 ( 3.563 0.000 -7.428) 8.239 3.982 ( 1.469 0.000 2.905) 3.255 4.016 ( -2.496 0.000 1.533) 2.929 4.077 ( 0.426 0.000 -1.729) 1.781 4.100 ( 7.491 0.000 -0.299) 7.497 4.246 ( -2.420 0.000 6.856) 7.271 4.265 ( 1.694 0.000 -0.743) 1.850 4.343 ( 2.673 0.000 -2.414) 3.602 4.383 ( -4.172 0.000 6.412) 7.649 4.501 ( -3.866 0.000 -1.078) 4.014 4.566 ( 1.928 0.000 -4.413) 4.816 4.581 ( -1.782 0.000 1.319) 2.216 4.636 ( 2.855 0.000 -3.110) 4.221 4.653 ( -0.951 0.000 2.469) 2.646 4.684 ( -1.570 0.000 9.904) 10.028 4.769 ( 1.763 0.000 -1.546) 2.345 4.799 ( -2.835 0.000 2.100) 3.528 4.808 ( -1.894 0.000 0.047) 1.895 4.912 ( 1.737 0.000 2.700) 3.211 4.951 ( -0.749 0.000 -3.524) 3.603 5.001 ( 0.944 0.000 -2.285) 2.472 5.027 ( 2.272 0.000 -0.243) 2.285 5.129 ( 1.578 0.000 -1.939) 2.500 5.218 ( 2.231 0.000 0.358) 2.260 5.346 ( -0.159 0.000 2.796) 2.800 5.363 ( -2.001 0.000 -0.862) 2.179 5.425 ( 0.473 0.000 -2.074) 2.127 5.471 ( 1.068 0.000 -3.521) 3.679 5.547 ( -1.067 0.000 3.871) 4.015 5.554 ( -9.675 0.000 0.669) 9.698 5.656 ( 1.556 0.000 -4.689) 4.940 5.683 ( -1.255 0.000 1.615) 2.045 5.723 ( 0.628 0.000 -0.590) 0.862 5.782 ( -2.027 0.000 -0.635) 2.124 5.860 ( -2.538 0.000 -0.194) 2.546 5.932 ( -1.802 0.000 0.587) 1.895 6.032 ( 3.098 0.000 -2.620) 4.058 6.067 ( -1.639 0.000 2.064) 2.636 6.124 ( -2.143 0.000 4.254) 4.763 6.149 ( -0.475 0.000 -0.526) 0.709 6.213 ( -2.935 0.000 0.029) 2.935 6.249 ( -1.444 0.000 0.033) 1.445 6.311 ( 2.504 0.000 -0.667) 2.591 6.316 ( 2.739 0.000 -3.613) 4.534 6.422 ( -4.240 0.000 -1.357) 4.452 6.447 ( -1.212 0.000 -0.403) 1.277 6.484 ( -1.298 0.000 1.457) 1.951 6.508 ( 0.394 0.000 4.435) 4.452 6.517 ( -2.565 0.000 -2.268) 3.424 6.580 ( 0.100 0.000 -5.595) 5.596 6.653 ( 2.529 0.000 1.202) 2.800 6.714 ( 0.478 0.000 1.573) 1.644 6.735 ( 5.055 0.000 2.385) 5.590 6.782 ( 1.747 0.000 4.824) 5.131 6.853 ( 2.320 0.000 2.185) 3.187 6.903 ( 1.715 0.000 1.335) 2.173 6.929 ( 0.805 0.000 -1.902) 2.065 6.956 ( -2.705 0.000 3.450) 4.384 7.012 ( 0.847 0.000 1.518) 1.738 7.075 ( 5.455 0.000 -2.360) 5.943 7.085 ( 3.534 0.000 1.194) 3.730 7.179 ( -0.901 0.000 0.211) 0.925 7.218 ( 4.810 0.000 1.704) 5.103 7.297 ( 1.121 0.000 0.785) 1.368 7.356 ( 1.531 0.000 1.737) 2.315 7.436 ( 5.242 0.000 -1.954) 5.595 7.463 ( 2.996 0.000 1.382) 3.300 7.508 ( -0.480 0.000 -0.289) 0.560 7.577 ( 2.436 0.000 -3.020) 3.880 7.625 ( 1.270 0.000 -1.089) 1.673 7.633 ( 3.887 0.000 2.614) 4.684 7.725 ( 2.414 0.000 0.186) 2.421 7.788 ( -0.471 0.000 -1.550) 1.619 7.847 ( -0.787 0.000 6.191) 6.240 7.879 ( -1.709 0.000 0.457) 1.769 7.947 ( 1.928 0.000 -0.892) 2.125 7.970 ( -2.630 0.000 -4.131) 4.897 8.051 ( -1.326 0.000 0.161) 1.336 8.098 ( 1.261 0.000 -3.064) 3.314 8.189 ( 0.566 0.000 0.206) 0.602 8.196 ( -0.632 0.000 4.358) 4.404 8.243 ( 0.356 0.000 0.230) 0.424 8.267 ( 1.015 0.000 -0.491) 1.127 8.276 ( 1.109 0.000 -0.462) 1.202 8.357 ( -1.819 0.000 -1.266) 2.217 8.382 ( -2.249 0.000 3.726) 4.352 8.482 ( -1.934 0.000 -3.731) 4.202 8.509 ( 1.142 0.000 1.863) 2.185 8.529 ( -0.999 0.000 -1.627) 1.909 8.572 ( 0.244 0.000 0.913) 0.945 8.603 ( 4.460 0.000 -2.431) 5.080 8.648 ( 0.070 0.000 2.952) 2.953 8.709 ( -0.509 0.000 1.278) 1.376 8.770 ( -0.981 0.000 -3.105) 3.256 8.838 ( -0.671 0.000 -0.061) 0.674 8.876 ( -1.837 0.000 -0.829) 2.015 8.918 ( -1.308 0.000 1.384) 1.904 8.977 ( -3.230 0.000 -2.160) 3.886 9.061 ( 1.157 0.000 -2.761) 2.994 9.125 ( -3.750 0.000 -0.010) 3.750 9.197 ( 1.158 0.000 -5.298) 5.423 9.219 ( -4.127 0.000 -1.607) 4.429 9.289 ( -3.016 0.000 -2.746) 4.079 9.324 ( -4.649 0.000 -1.914) 5.028 9.348 ( -3.709 0.000 -2.381) 4.408 9.450 ( -3.600 0.000 0.078) 3.600 9.490 ( -2.957 0.000 -2.146) 3.654 9.577 ( -0.992 0.000 -0.341) 1.049 9.642 ( 4.205 0.000 2.692) 4.993 9.718 ( 4.137 0.000 1.648) 4.453 9.746 ( -2.025 0.000 4.357) 4.804 9.806 ( 4.941 0.000 -0.623) 4.980 9.851 ( 0.157 0.000 0.543) 0.566 9.923 ( -1.847 0.000 2.937) 3.469 10.010 ( -1.239 0.000 -0.145) 1.248 10.120 ( 1.242 0.000 -2.333) 2.643 10.167 ( 0.349 0.000 0.810) 0.882 10.214 ( -0.712 0.000 0.234) 0.750 10.289 ( 0.142 0.000 1.212) 1.221 10.372 ( -0.990 0.000 -1.144) 1.513 10.432 ( -2.088 0.000 -0.537) 2.156 10.515 ( -2.826 0.000 -1.201) 3.070 10.559 ( 2.519 0.000 -0.526) 2.574 10.704 ( -4.688 0.000 -1.748) 5.004 10.822 ( -5.657 0.000 1.935) 5.979 10.881 ( -2.154 0.000 8.516) 8.784 10.907 ( -2.271 0.000 5.600) 6.043 11.350 ( -2.203 0.000 0.330) 2.227 11.519 ( -0.725 0.000 1.409) 1.585 11.665 ( -2.151 0.000 0.902) 2.333 11.782 ( 0.073 0.000 -0.744) 0.747 11.899 ( 1.850 0.000 0.795) 2.014 11.981 ( -3.124 0.000 0.236) 3.133 12.183 ( -0.836 0.000 -2.671) 2.799 12.217 ( -1.810 0.000 -4.044) 4.430 12.327 ( 0.802 0.000 1.150) 1.402 12.401 ( 4.284 0.000 -7.499) 8.637 12.464 ( 1.674 0.000 -0.561) 1.765 12.586 ( 1.206 0.000 -6.879) 6.983 12.668 ( 0.648 0.000 1.024) 1.212 12.690 ( 0.718 0.000 -1.550) 1.708 12.823 ( -4.909 0.000 -2.695) 5.600 12.868 ( -0.277 0.000 -7.035) 7.040 12.957 ( -4.377 0.000 8.151) 9.252 13.047 ( 4.404 0.000 5.836) 7.312 13.135 ( -3.497 0.000 -1.199) 3.697 13.208 ( -0.177 0.000 -4.508) 4.511 13.275 ( -0.086 0.000 -1.415) 1.418 13.377 ( 0.202 0.000 0.570) 0.605 13.443 ( -3.443 0.000 1.146) 3.629 13.616 ( -0.948 0.000 14.894) 14.924 13.758 ( 3.608 0.000 4.393) 5.684 13.870 ( 1.065 0.000 -6.534) 6.620 13.923 ( 2.053 0.000 -0.637) 2.149 14.163 ( -0.182 0.000 7.803) 7.805 14.214 ( 2.531 0.000 -10.481) 10.782 14.268 ( 0.895 0.000 1.925) 2.123 14.373 ( -0.722 0.000 3.574) 3.646 14.377 ( 1.021 0.000 -0.440) 1.112 14.537 ( 0.347 0.000 -0.327) 0.476 14.566 ( 1.366 0.000 -0.650) 1.513 14.774 ( 3.028 0.000 -0.048) 3.028 14.817 ( 0.157 0.000 -1.091) 1.102 14.838 ( 2.288 0.000 0.920) 2.466 15.039 ( -1.241 0.000 1.937) 2.300 15.080 ( 0.126 0.000 -1.806) 1.811 15.152 ( 0.757 0.000 -0.893) 1.171 15.245 ( -1.423 0.000 2.854) 3.189 15.312 ( 2.033 0.000 -1.757) 2.687 15.485 ( 4.065 0.000 0.855) 4.154 15.582 ( 3.941 0.000 0.592) 3.985 15.774 ( 3.291 0.000 0.975) 3.432 16.190 ( -7.357 0.000 -2.214) 7.683 16.353 ( -9.405 0.000 -1.438) 9.515 16.875 ( -1.973 0.000 -1.390) 2.413 ======================= Grid point 3 (4/50) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -1.182 0.000 3.466) 3.662 1.383 ( 1.684 0.000 -0.843) 1.883 1.564 ( 17.458 0.000 10.849) 20.554 1.580 ( 10.525 0.000 1.145) 10.587 1.713 ( 11.585 0.000 3.915) 12.228 1.837 ( 2.950 0.000 0.881) 3.079 1.952 ( 0.681 0.000 -1.983) 2.097 2.026 ( -15.805 0.000 -5.792) 16.833 2.126 ( -6.653 0.000 1.318) 6.782 2.152 ( 1.695 0.000 2.242) 2.811 2.234 ( -4.948 0.000 5.444) 7.356 2.274 ( 3.608 0.000 -0.042) 3.608 2.362 ( -0.069 0.000 -4.284) 4.285 2.399 ( -4.393 0.000 -3.975) 5.924 2.447 ( 3.535 0.000 -3.176) 4.752 2.572 ( 4.793 0.000 2.174) 5.263 2.602 ( 0.748 0.000 1.829) 1.976 2.615 ( 3.571 0.000 -1.952) 4.070 2.697 ( -4.540 0.000 -0.741) 4.600 2.721 ( -1.476 0.000 -1.205) 1.905 2.780 ( -3.688 0.000 -0.354) 3.705 2.842 ( 2.123 0.000 3.520) 4.111 2.900 ( -0.379 0.000 -3.235) 3.257 2.916 ( 9.055 0.000 3.247) 9.620 2.986 ( 2.679 0.000 1.140) 2.911 3.024 ( -2.039 0.000 0.300) 2.061 3.095 ( -0.287 0.000 -3.611) 3.623 3.162 ( 0.594 0.000 -0.780) 0.980 3.210 ( 0.046 0.000 -2.315) 2.316 3.268 ( -0.986 0.000 2.953) 3.113 3.390 ( -0.600 0.000 -4.785) 4.822 3.412 ( -2.820 0.000 -0.016) 2.820 3.476 ( 2.113 0.000 -3.941) 4.472 3.547 ( 1.629 0.000 1.461) 2.188 3.587 ( -2.673 0.000 -0.515) 2.722 3.627 ( -1.550 0.000 0.786) 1.738 3.713 ( 5.245 0.000 -1.587) 5.480 3.731 ( -1.041 0.000 1.655) 1.955 3.766 ( 2.411 0.000 1.217) 2.700 3.814 ( 3.054 0.000 -4.220) 5.209 3.888 ( -1.542 0.000 1.997) 2.523 3.924 ( -1.595 0.000 -4.339) 4.623 4.000 ( 3.176 0.000 -4.515) 5.521 4.027 ( -1.765 0.000 2.880) 3.378 4.037 ( -0.100 0.000 1.763) 1.766 4.222 ( 3.197 0.000 0.523) 3.239 4.273 ( 0.703 0.000 5.437) 5.483 4.302 ( 1.976 0.000 -0.934) 2.185 4.340 ( -3.674 0.000 -3.154) 4.842 4.374 ( -0.754 0.000 1.881) 2.027 4.425 ( 3.218 0.000 -0.271) 3.230 4.544 ( -3.678 0.000 0.675) 3.739 4.570 ( -3.452 0.000 -3.969) 5.260 4.625 ( 1.433 0.000 1.495) 2.070 4.669 ( -2.036 0.000 6.215) 6.540 4.690 ( 2.382 0.000 -0.114) 2.385 4.748 ( -1.330 0.000 -2.098) 2.484 4.782 ( 0.583 0.000 -5.038) 5.072 4.809 ( -0.618 0.000 4.147) 4.193 4.906 ( -0.072 0.000 2.072) 2.074 4.968 ( 0.906 0.000 -0.936) 1.303 4.983 ( -4.059 0.000 -0.554) 4.096 5.026 ( 1.135 0.000 0.200) 1.153 5.151 ( 1.989 0.000 -1.022) 2.236 5.271 ( 2.537 0.000 -1.031) 2.738 5.308 ( -1.875 0.000 -1.129) 2.189 5.338 ( -1.853 0.000 1.674) 2.497 5.399 ( -2.078 0.000 -0.026) 2.079 5.454 ( -0.223 0.000 -0.142) 0.264 5.526 ( 4.024 0.000 -0.721) 4.088 5.561 ( -0.351 0.000 2.502) 2.527 5.645 ( -0.236 0.000 -2.495) 2.506 5.707 ( 2.427 0.000 -0.787) 2.551 5.750 ( 1.053 0.000 -0.306) 1.096 5.759 ( -0.805 0.000 0.595) 1.001 5.846 ( 0.019 0.000 2.885) 2.885 5.924 ( 1.044 0.000 -0.495) 1.156 5.984 ( -5.011 0.000 -0.272) 5.019 6.052 ( -0.363 0.000 -4.307) 4.322 6.084 ( -2.717 0.000 2.388) 3.617 6.156 ( 1.731 0.000 -1.063) 2.031 6.184 ( -1.196 0.000 2.542) 2.810 6.251 ( 1.361 0.000 1.433) 1.977 6.322 ( 0.457 0.000 -0.867) 0.980 6.344 ( -1.211 0.000 -1.544) 1.962 6.369 ( -0.638 0.000 0.951) 1.146 6.398 ( -2.775 0.000 -2.035) 3.441 6.500 ( 2.093 0.000 0.059) 2.093 6.502 ( 0.998 0.000 2.700) 2.878 6.530 ( 0.241 0.000 3.214) 3.223 6.568 ( 0.489 0.000 -6.710) 6.728 6.689 ( 1.496 0.000 -0.007) 1.496 6.770 ( 0.836 0.000 1.784) 1.970 6.793 ( 1.862 0.000 -0.604) 1.957 6.850 ( 2.248 0.000 3.773) 4.392 6.876 ( 0.089 0.000 1.737) 1.740 6.900 ( -1.288 0.000 -0.410) 1.352 6.922 ( -1.626 0.000 3.706) 4.047 6.957 ( 1.173 0.000 -0.829) 1.436 7.022 ( -0.002 0.000 -0.112) 0.112 7.085 ( -3.156 0.000 -1.865) 3.666 7.138 ( 2.722 0.000 -0.265) 2.735 7.204 ( 2.948 0.000 0.443) 2.981 7.278 ( 0.721 0.000 -2.519) 2.620 7.311 ( 0.810 0.000 1.321) 1.550 7.384 ( -0.080 0.000 4.003) 4.003 7.481 ( 1.014 0.000 -1.718) 1.995 7.498 ( -0.022 0.000 -1.592) 1.592 7.563 ( 4.596 0.000 1.161) 4.740 7.589 ( 2.515 0.000 -0.721) 2.616 7.632 ( -0.246 0.000 -0.452) 0.515 7.680 ( -2.503 0.000 -2.716) 3.694 7.735 ( -3.984 0.000 1.682) 4.325 7.749 ( 3.439 0.000 -0.902) 3.555 7.831 ( -2.173 0.000 1.538) 2.663 7.860 ( -4.419 0.000 0.310) 4.430 7.888 ( 1.351 0.000 1.682) 2.157 8.001 ( 1.440 0.000 -0.083) 1.442 8.050 ( -1.250 0.000 -1.316) 1.815 8.088 ( 3.159 0.000 0.445) 3.191 8.178 ( -3.685 0.000 1.188) 3.872 8.220 ( 2.014 0.000 -0.345) 2.043 8.250 ( 1.100 0.000 -1.734) 2.054 8.306 ( -2.208 0.000 2.320) 3.203 8.312 ( 2.408 0.000 -0.673) 2.500 8.348 ( -0.813 0.000 0.788) 1.133 8.370 ( 4.108 0.000 -0.742) 4.174 8.462 ( -2.688 0.000 0.968) 2.857 8.487 ( 1.867 0.000 0.451) 1.920 8.550 ( -1.903 0.000 -2.196) 2.906 8.603 ( 3.619 0.000 -1.341) 3.860 8.665 ( 1.305 0.000 2.066) 2.443 8.669 ( 1.992 0.000 -0.830) 2.158 8.713 ( -0.139 0.000 0.572) 0.589 8.766 ( -0.166 0.000 -1.764) 1.772 8.801 ( -1.177 0.000 0.480) 1.271 8.836 ( 1.040 0.000 1.072) 1.494 8.891 ( -2.271 0.000 -0.340) 2.296 8.944 ( -1.005 0.000 0.736) 1.246 9.011 ( -6.033 0.000 -1.032) 6.121 9.067 ( 0.719 0.000 -1.150) 1.356 9.139 ( -2.159 0.000 -1.835) 2.833 9.157 ( -3.233 0.000 -2.030) 3.817 9.188 ( -2.666 0.000 -1.449) 3.034 9.238 ( -2.280 0.000 -1.476) 2.716 9.348 ( 3.199 0.000 -1.006) 3.353 9.389 ( -2.297 0.000 0.761) 2.419 9.421 ( -2.931 0.000 -0.914) 3.070 9.563 ( -0.427 0.000 0.283) 0.512 9.708 ( 1.461 0.000 -0.639) 1.595 9.718 ( -1.470 0.000 2.782) 3.147 9.790 ( 2.379 0.000 0.063) 2.380 9.869 ( 0.658 0.000 0.028) 0.659 9.885 ( 1.598 0.000 2.424) 2.903 9.945 ( 2.061 0.000 1.373) 2.477 9.988 ( -0.788 0.000 -1.062) 1.322 10.138 ( 0.969 0.000 -0.902) 1.324 10.171 ( -0.705 0.000 0.176) 0.727 10.213 ( 1.999 0.000 0.348) 2.029 10.284 ( -2.169 0.000 0.653) 2.265 10.369 ( -1.296 0.000 -0.368) 1.347 10.375 ( -0.896 0.000 -0.633) 1.097 10.533 ( 3.254 0.000 -1.453) 3.563 10.605 ( -0.267 0.000 0.932) 0.970 10.652 ( 2.675 0.000 -1.805) 3.228 10.728 ( -3.957 0.000 0.625) 4.006 10.860 ( -3.772 0.000 2.705) 4.642 10.910 ( -0.045 0.000 5.278) 5.278 11.320 ( -0.925 0.000 0.191) 0.944 11.516 ( -0.139 0.000 0.746) 0.759 11.631 ( -1.199 0.000 -0.146) 1.208 11.752 ( -1.702 0.000 -0.666) 1.827 11.905 ( -0.799 0.000 0.096) 0.805 11.965 ( 0.454 0.000 1.032) 1.127 12.150 ( -1.554 0.000 -2.471) 2.919 12.155 ( -0.689 0.000 -1.725) 1.858 12.377 ( 2.438 0.000 1.504) 2.865 12.464 ( 2.179 0.000 -0.540) 2.245 12.503 ( 3.505 0.000 -4.841) 5.977 12.572 ( 1.790 0.000 -3.626) 4.044 12.655 ( -4.926 0.000 -0.078) 4.926 12.679 ( 0.046 0.000 0.699) 0.700 12.735 ( -1.260 0.000 -0.892) 1.544 12.820 ( -1.690 0.000 -2.196) 2.771 12.890 ( -3.786 0.000 3.005) 4.833 13.066 ( -1.641 0.000 0.410) 1.692 13.166 ( 4.087 0.000 -0.269) 4.096 13.203 ( -0.680 0.000 2.320) 2.417 13.273 ( 0.826 0.000 -2.715) 2.838 13.375 ( -1.030 0.000 2.429) 2.639 13.410 ( -0.382 0.000 -1.053) 1.121 13.698 ( 1.628 0.000 11.211) 11.329 13.789 ( -0.860 0.000 -5.182) 5.253 13.881 ( 2.465 0.000 -0.009) 2.465 13.934 ( -0.514 0.000 -0.808) 0.958 14.183 ( -1.414 0.000 7.811) 7.938 14.204 ( 1.842 0.000 -9.374) 9.553 14.287 ( 0.326 0.000 0.886) 0.944 14.367 ( -0.462 0.000 0.115) 0.476 14.392 ( 0.143 0.000 0.892) 0.903 14.535 ( -0.179 0.000 0.109) 0.209 14.579 ( 0.410 0.000 -0.599) 0.726 14.806 ( 0.858 0.000 -0.808) 1.178 14.814 ( -0.214 0.000 0.304) 0.372 14.894 ( 1.773 0.000 0.803) 1.946 15.036 ( -0.130 0.000 1.383) 1.389 15.074 ( 0.051 0.000 -1.093) 1.094 15.161 ( 0.489 0.000 -0.510) 0.707 15.236 ( -0.447 0.000 0.718) 0.845 15.320 ( 0.091 0.000 -0.662) 0.668 15.535 ( 0.809 0.000 0.033) 0.810 15.700 ( 6.633 0.000 1.484) 6.798 15.857 ( 2.187 0.000 0.305) 2.208 16.061 ( -2.261 0.000 -0.674) 2.359 16.166 ( -8.636 0.000 -1.699) 8.801 16.843 ( -0.776 0.000 -0.427) 0.886 ======================= Grid point 7 (5/50) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 0.000 28.492 0.000) 28.492 0.721 ( 0.000 36.171 0.000) 36.171 1.090 ( 0.000 42.584 0.000) 42.584 1.117 ( 0.000 -15.316 0.000) 15.316 1.419 ( 0.000 -34.023 0.000) 34.023 1.595 ( 0.000 1.007 0.000) 1.007 1.620 ( 0.000 -2.539 0.000) 2.539 1.889 ( 0.000 5.524 0.000) 5.524 1.940 ( 0.000 -6.431 0.000) 6.431 2.082 ( 0.000 8.873 0.000) 8.873 2.089 ( 0.000 -35.397 0.000) 35.397 2.239 ( 0.000 -6.552 0.000) 6.552 2.362 ( 0.000 3.588 0.000) 3.588 2.453 ( 0.000 -0.402 0.000) 0.402 2.489 ( 0.000 -8.437 0.000) 8.437 2.490 ( 0.000 -0.609 0.000) 0.609 2.578 ( 0.000 13.826 0.000) 13.826 2.702 ( 0.000 6.995 0.000) 6.995 2.703 ( 0.000 -2.752 0.000) 2.752 2.814 ( 0.000 1.044 0.000) 1.044 2.842 ( 0.000 2.018 0.000) 2.018 2.868 ( 0.000 -0.239 0.000) 0.239 2.926 ( 0.000 -0.771 0.000) 0.771 2.931 ( 0.000 -2.251 0.000) 2.251 3.064 ( 0.000 2.002 0.000) 2.002 3.099 ( 0.000 0.094 0.000) 0.094 3.107 ( 0.000 4.936 0.000) 4.936 3.151 ( 0.000 0.626 0.000) 0.626 3.181 ( 0.000 -0.417 0.000) 0.417 3.227 ( 0.000 -3.570 0.000) 3.570 3.289 ( 0.000 -0.469 0.000) 0.469 3.312 ( 0.000 -0.758 0.000) 0.758 3.431 ( 0.000 2.771 0.000) 2.771 3.446 ( 0.000 0.787 0.000) 0.787 3.461 ( 0.000 2.362 0.000) 2.362 3.585 ( 0.000 4.242 0.000) 4.242 3.594 ( 0.000 -6.878 0.000) 6.878 3.638 ( 0.000 -0.403 0.000) 0.403 3.722 ( 0.000 0.025 0.000) 0.025 3.763 ( 0.000 -3.066 0.000) 3.066 3.812 ( 0.000 -0.484 0.000) 0.484 3.858 ( 0.000 -5.267 0.000) 5.267 3.952 ( 0.000 2.621 0.000) 2.621 3.979 ( 0.000 -0.274 0.000) 0.274 4.050 ( 0.000 6.980 0.000) 6.980 4.150 ( 0.000 -2.326 0.000) 2.326 4.231 ( 0.000 2.258 0.000) 2.258 4.286 ( 0.000 -1.044 0.000) 1.044 4.360 ( 0.000 -3.633 0.000) 3.633 4.368 ( 0.000 -2.757 0.000) 2.757 4.530 ( 0.000 2.690 0.000) 2.690 4.555 ( 0.000 0.709 0.000) 0.709 4.578 ( 0.000 5.387 0.000) 5.387 4.590 ( 0.000 7.012 0.000) 7.012 4.654 ( 0.000 0.337 0.000) 0.337 4.675 ( 0.000 -0.036 0.000) 0.036 4.727 ( 0.000 2.456 0.000) 2.456 4.762 ( 0.000 -1.100 0.000) 1.100 4.834 ( 0.000 -0.881 0.000) 0.881 4.846 ( 0.000 -0.891 0.000) 0.891 4.885 ( 0.000 0.597 0.000) 0.597 4.918 ( 0.000 -4.898 0.000) 4.898 5.069 ( 0.000 1.922 0.000) 1.922 5.099 ( 0.000 -1.281 0.000) 1.281 5.150 ( 0.000 5.011 0.000) 5.011 5.332 ( 0.000 -10.138 0.000) 10.138 5.353 ( 0.000 1.352 0.000) 1.352 5.392 ( 0.000 -2.808 0.000) 2.808 5.428 ( 0.000 5.291 0.000) 5.291 5.542 ( 0.000 -4.218 0.000) 4.218 5.583 ( 0.000 2.968 0.000) 2.968 5.635 ( 0.000 -2.027 0.000) 2.027 5.753 ( 0.000 1.160 0.000) 1.160 5.800 ( 0.000 -2.029 0.000) 2.029 5.911 ( 0.000 0.827 0.000) 0.827 5.976 ( 0.000 -3.167 0.000) 3.167 6.050 ( 0.000 1.034 0.000) 1.034 6.067 ( 0.000 -0.899 0.000) 0.899 6.103 ( 0.000 -0.240 0.000) 0.240 6.116 ( 0.000 -1.279 0.000) 1.279 6.204 ( 0.000 1.263 0.000) 1.263 6.237 ( 0.000 -1.909 0.000) 1.909 6.308 ( 0.000 3.488 0.000) 3.488 6.315 ( 0.000 1.096 0.000) 1.096 6.352 ( 0.000 -1.812 0.000) 1.812 6.365 ( 0.000 -1.475 0.000) 1.475 6.452 ( 0.000 -0.545 0.000) 0.545 6.453 ( 0.000 -0.939 0.000) 0.939 6.593 ( 0.000 2.151 0.000) 2.151 6.598 ( 0.000 1.956 0.000) 1.956 6.663 ( 0.000 3.875 0.000) 3.875 6.712 ( 0.000 2.454 0.000) 2.454 6.727 ( 0.000 -0.452 0.000) 0.452 6.780 ( 0.000 -0.994 0.000) 0.994 6.784 ( 0.000 0.972 0.000) 0.972 6.818 ( 0.000 -0.649 0.000) 0.649 6.835 ( 0.000 2.118 0.000) 2.118 6.883 ( 0.000 -2.999 0.000) 2.999 6.926 ( 0.000 2.570 0.000) 2.570 6.931 ( 0.000 -0.123 0.000) 0.123 6.993 ( 0.000 -1.292 0.000) 1.292 7.009 ( 0.000 -2.122 0.000) 2.122 7.156 ( 0.000 4.468 0.000) 4.468 7.157 ( 0.000 -1.161 0.000) 1.161 7.230 ( 0.000 -5.390 0.000) 5.390 7.251 ( 0.000 -1.131 0.000) 1.131 7.315 ( 0.000 2.599 0.000) 2.599 7.365 ( 0.000 1.277 0.000) 1.277 7.457 ( 0.000 2.655 0.000) 2.655 7.514 ( 0.000 2.327 0.000) 2.327 7.590 ( 0.000 5.705 0.000) 5.705 7.640 ( 0.000 0.976 0.000) 0.976 7.701 ( 0.000 -7.694 0.000) 7.694 7.770 ( 0.000 -7.181 0.000) 7.181 7.786 ( 0.000 1.149 0.000) 1.149 7.835 ( 0.000 -4.148 0.000) 4.148 7.950 ( 0.000 0.599 0.000) 0.599 7.976 ( 0.000 -0.541 0.000) 0.541 8.007 ( 0.000 4.744 0.000) 4.744 8.059 ( 0.000 -1.087 0.000) 1.087 8.152 ( 0.000 -2.670 0.000) 2.670 8.176 ( 0.000 -4.683 0.000) 4.683 8.271 ( 0.000 2.284 0.000) 2.284 8.323 ( 0.000 -1.505 0.000) 1.505 8.376 ( 0.000 1.651 0.000) 1.651 8.395 ( 0.000 -0.038 0.000) 0.038 8.438 ( 0.000 2.653 0.000) 2.653 8.471 ( 0.000 -0.124 0.000) 0.124 8.564 ( 0.000 0.550 0.000) 0.550 8.574 ( 0.000 2.123 0.000) 2.123 8.600 ( 0.000 -1.216 0.000) 1.216 8.616 ( 0.000 0.091 0.000) 0.091 8.629 ( 0.000 -0.455 0.000) 0.455 8.679 ( 0.000 -5.185 0.000) 5.185 8.801 ( 0.000 1.575 0.000) 1.575 8.823 ( 0.000 -0.744 0.000) 0.744 8.916 ( 0.000 -0.373 0.000) 0.373 8.919 ( 0.000 0.595 0.000) 0.595 9.032 ( 0.000 4.799 0.000) 4.799 9.068 ( 0.000 1.614 0.000) 1.614 9.126 ( 0.000 0.009 0.000) 0.009 9.158 ( 0.000 -3.801 0.000) 3.801 9.229 ( 0.000 0.697 0.000) 0.697 9.274 ( 0.000 -2.661 0.000) 2.661 9.408 ( 0.000 2.766 0.000) 2.766 9.421 ( 0.000 0.583 0.000) 0.583 9.491 ( 0.000 4.853 0.000) 4.853 9.561 ( 0.000 1.696 0.000) 1.696 9.562 ( 0.000 -1.267 0.000) 1.267 9.592 ( 0.000 -2.228 0.000) 2.228 9.655 ( 0.000 0.176 0.000) 0.176 9.659 ( 0.000 -0.110 0.000) 0.110 9.821 ( 0.000 7.343 0.000) 7.343 9.933 ( 0.000 -3.108 0.000) 3.108 9.979 ( 0.000 5.868 0.000) 5.868 10.083 ( 0.000 1.717 0.000) 1.717 10.095 ( 0.000 -2.699 0.000) 2.699 10.207 ( 0.000 -11.376 0.000) 11.376 10.384 ( 0.000 2.143 0.000) 2.143 10.431 ( 0.000 -2.459 0.000) 2.459 10.510 ( 0.000 1.137 0.000) 1.137 10.527 ( 0.000 -0.430 0.000) 0.430 10.641 ( 0.000 3.171 0.000) 3.171 10.728 ( 0.000 -4.709 0.000) 4.709 10.882 ( 0.000 2.518 0.000) 2.518 10.897 ( 0.000 0.315 0.000) 0.315 10.988 ( 0.000 0.075 0.000) 0.075 10.996 ( 0.000 -1.005 0.000) 1.005 11.468 ( 0.000 3.608 0.000) 3.608 11.557 ( 0.000 -4.934 0.000) 4.934 11.635 ( 0.000 2.978 0.000) 2.978 11.719 ( 0.000 -4.773 0.000) 4.773 11.811 ( 0.000 2.960 0.000) 2.960 11.883 ( 0.000 -4.158 0.000) 4.158 12.095 ( 0.000 3.707 0.000) 3.707 12.179 ( 0.000 -2.770 0.000) 2.770 12.295 ( 0.000 3.952 0.000) 3.952 12.418 ( 0.000 -5.815 0.000) 5.815 12.551 ( 0.000 3.372 0.000) 3.372 12.579 ( 0.000 -0.812 0.000) 0.812 12.592 ( 0.000 6.023 0.000) 6.023 12.664 ( 0.000 -3.073 0.000) 3.073 12.669 ( 0.000 5.293 0.000) 5.293 12.832 ( 0.000 -5.644 0.000) 5.644 12.855 ( 0.000 4.032 0.000) 4.032 12.950 ( 0.000 -5.872 0.000) 5.872 13.194 ( 0.000 -0.855 0.000) 0.855 13.213 ( 0.000 -2.602 0.000) 2.602 13.443 ( 0.000 7.292 0.000) 7.292 13.470 ( 0.000 8.838 0.000) 8.838 13.569 ( 0.000 -3.918 0.000) 3.918 13.620 ( 0.000 -5.030 0.000) 5.030 13.693 ( 0.000 3.803 0.000) 3.803 13.793 ( 0.000 -4.254 0.000) 4.254 13.898 ( 0.000 2.384 0.000) 2.384 13.964 ( 0.000 -4.403 0.000) 4.403 14.228 ( 0.000 0.754 0.000) 0.754 14.248 ( 0.000 -1.148 0.000) 1.148 14.355 ( 0.000 0.302 0.000) 0.302 14.356 ( 0.000 0.249 0.000) 0.249 14.498 ( 0.000 0.646 0.000) 0.646 14.507 ( 0.000 -0.193 0.000) 0.193 14.747 ( 0.000 2.489 0.000) 2.489 14.783 ( 0.000 -0.973 0.000) 0.973 14.923 ( 0.000 1.003 0.000) 1.003 14.938 ( 0.000 -0.073 0.000) 0.073 15.105 ( 0.000 0.361 0.000) 0.361 15.107 ( 0.000 0.055 0.000) 0.055 15.203 ( 0.000 -0.456 0.000) 0.456 15.260 ( 0.000 -7.158 0.000) 7.158 15.469 ( 0.000 1.558 0.000) 1.558 15.496 ( 0.000 -1.037 0.000) 1.037 15.960 ( 0.000 15.617 0.000) 15.617 16.271 ( 0.000 -14.910 0.000) 14.910 16.804 ( 0.000 8.347 0.000) 8.347 16.934 ( 0.000 -4.580 0.000) 4.580 ======================= Grid point 8 (6/50) ======================= q-point: ( 0.14 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( 14.442 18.371 7.980) 24.693 0.892 ( 14.601 28.149 5.116) 32.121 1.143 ( 3.315 -21.858 4.367) 22.535 1.405 ( 17.172 27.076 7.728) 32.980 1.486 ( 3.116 -14.261 -1.413) 14.666 1.513 ( 2.137 -11.567 4.976) 12.772 1.609 ( 1.295 1.522 2.180) 2.957 1.897 ( 0.255 9.477 1.756) 9.641 1.990 ( 0.076 -1.854 2.494) 3.109 2.142 ( 3.882 -6.990 -0.397) 8.005 2.204 ( 6.098 -10.597 1.843) 12.364 2.304 ( 5.710 -10.446 4.168) 12.613 2.392 ( 2.155 -0.780 -1.388) 2.680 2.434 ( -1.278 -2.790 -1.247) 3.313 2.473 ( -0.845 2.373 0.829) 2.652 2.535 ( 1.366 -4.494 -0.471) 4.720 2.592 ( 1.884 7.618 0.454) 7.861 2.690 ( 0.969 1.394 1.163) 2.058 2.734 ( 0.021 1.321 -2.072) 2.457 2.795 ( -2.741 0.437 -0.910) 2.921 2.831 ( 0.198 1.264 -1.921) 2.308 2.856 ( -0.618 2.126 -6.445) 6.815 2.891 ( -0.751 0.183 -4.620) 4.684 2.919 ( 0.221 -4.128 -2.975) 5.093 3.004 ( -1.956 0.088 0.612) 2.051 3.035 ( -4.862 -0.844 -0.872) 5.011 3.105 ( 0.917 2.338 0.246) 2.523 3.150 ( 0.705 -2.408 -1.063) 2.725 3.213 ( 3.118 -0.659 4.412) 5.443 3.254 ( 1.115 0.213 3.147) 3.346 3.326 ( 0.850 3.149 -0.303) 3.276 3.397 ( -2.124 0.377 -1.590) 2.680 3.429 ( 2.614 1.091 0.356) 2.855 3.458 ( 2.778 0.295 -0.507) 2.839 3.512 ( 1.968 -3.837 -0.643) 4.360 3.571 ( 1.927 -3.396 -2.172) 4.468 3.638 ( 0.704 -2.456 1.630) 3.031 3.654 ( 1.056 -3.138 -2.537) 4.171 3.756 ( 4.332 3.656 -4.031) 6.955 3.802 ( 2.197 -0.728 -1.987) 3.051 3.842 ( 0.211 -0.114 1.029) 1.056 3.852 ( 1.673 -2.917 -4.557) 5.663 3.911 ( 1.179 -2.183 -1.965) 3.165 3.976 ( 2.521 -3.267 -3.242) 5.247 4.097 ( 1.791 4.527 -1.371) 5.058 4.120 ( -0.605 3.457 0.401) 3.533 4.247 ( -1.228 1.135 2.893) 3.342 4.280 ( -2.923 -1.143 1.283) 3.391 4.367 ( 2.932 0.345 1.889) 3.505 4.437 ( 3.425 -6.591 -3.050) 8.029 4.490 ( -3.061 4.908 -0.658) 5.822 4.543 ( -1.877 3.279 4.924) 6.207 4.580 ( -0.362 0.488 0.762) 0.974 4.605 ( 0.742 -2.981 -1.140) 3.277 4.676 ( 2.645 2.279 -1.162) 3.680 4.704 ( 1.769 3.373 1.633) 4.144 4.736 ( 1.228 0.546 1.967) 2.382 4.787 ( 1.606 -0.509 4.419) 4.729 4.819 ( -0.653 -1.406 3.118) 3.482 4.866 ( -1.672 -5.126 3.141) 6.240 4.908 ( 3.723 2.495 -4.863) 6.613 4.981 ( 5.230 -2.598 -0.221) 5.844 5.062 ( -1.640 2.275 0.028) 2.805 5.075 ( -0.815 3.522 0.278) 3.626 5.158 ( 0.703 -0.577 -1.050) 1.389 5.297 ( -2.097 -8.280 1.817) 8.733 5.359 ( 0.588 1.592 -1.238) 2.101 5.411 ( 2.250 0.674 -2.538) 3.458 5.447 ( 1.081 1.122 -1.011) 1.858 5.538 ( -1.982 -2.514 0.520) 3.243 5.582 ( 0.857 0.078 -1.393) 1.637 5.627 ( -0.430 -4.519 -0.902) 4.628 5.730 ( -1.985 1.895 1.529) 3.141 5.775 ( -2.801 -1.293 0.847) 3.199 5.892 ( -4.081 1.807 -0.174) 4.467 5.930 ( -3.389 -1.137 -2.455) 4.337 5.994 ( -3.195 2.201 2.190) 4.455 6.026 ( -1.810 0.305 -1.209) 2.198 6.059 ( -3.860 -1.231 2.009) 4.522 6.091 ( 2.631 -3.238 -2.120) 4.680 6.205 ( -1.617 1.008 3.115) 3.652 6.223 ( 1.369 -1.203 -2.241) 2.889 6.263 ( -3.885 0.471 1.626) 4.238 6.299 ( -1.674 -1.978 -2.120) 3.348 6.360 ( 0.459 2.706 1.387) 3.075 6.407 ( 2.089 -1.088 0.144) 2.360 6.475 ( 2.910 -0.173 -1.120) 3.123 6.509 ( 0.765 -1.569 -0.431) 1.798 6.554 ( -2.571 2.369 -1.249) 3.712 6.592 ( -2.575 1.018 -1.834) 3.321 6.629 ( -2.534 0.288 -2.311) 3.442 6.643 ( -0.671 -0.017 -0.817) 1.058 6.718 ( -2.097 2.873 0.723) 3.630 6.723 ( 0.696 2.840 -0.299) 2.939 6.783 ( 1.402 0.146 0.240) 1.430 6.840 ( 0.030 -3.759 -0.899) 3.865 6.871 ( -0.827 4.044 2.663) 4.912 6.919 ( 2.355 3.635 1.328) 4.530 6.955 ( 2.621 -1.371 2.566) 3.916 6.988 ( 5.863 1.021 3.310) 6.810 7.030 ( 3.429 0.992 3.325) 4.878 7.084 ( 1.947 -0.888 0.801) 2.285 7.184 ( -0.140 4.836 3.578) 6.018 7.212 ( 1.652 5.174 -1.682) 5.686 7.241 ( 2.576 0.937 -1.564) 3.156 7.285 ( -0.690 -3.767 2.806) 4.748 7.342 ( 2.968 1.188 -1.088) 3.377 7.381 ( 5.530 -0.424 -0.275) 5.553 7.451 ( 2.410 3.433 1.494) 4.453 7.556 ( 1.342 -2.645 0.459) 3.002 7.620 ( 0.951 3.257 1.057) 3.554 7.650 ( 3.494 5.558 -0.155) 6.567 7.719 ( -0.780 0.419 0.653) 1.100 7.752 ( 1.111 -3.039 -2.614) 4.160 7.787 ( -0.131 -1.585 0.641) 1.715 7.822 ( 1.557 -6.301 -0.266) 6.496 7.932 ( -1.875 1.552 -0.901) 2.595 7.984 ( -0.151 -2.163 -2.500) 3.309 8.041 ( 2.274 3.081 -0.065) 3.830 8.102 ( 1.658 -0.633 1.520) 2.337 8.128 ( 0.475 -2.064 -0.896) 2.300 8.162 ( 1.409 -3.330 -0.223) 3.623 8.254 ( -2.314 1.618 0.558) 2.878 8.291 ( -1.735 -0.467 -1.925) 2.634 8.349 ( -3.228 0.935 -1.739) 3.784 8.388 ( -2.999 -1.846 3.948) 5.290 8.437 ( -1.130 1.617 -2.255) 2.997 8.474 ( 1.786 -0.370 0.170) 1.832 8.546 ( -1.855 1.410 3.324) 4.060 8.563 ( -1.833 1.397 0.851) 2.457 8.573 ( -1.198 -2.008 -0.172) 2.344 8.593 ( -0.619 -0.423 -2.532) 2.641 8.647 ( 0.775 -0.225 0.017) 0.807 8.676 ( -1.020 -2.322 1.343) 2.869 8.799 ( 1.249 0.201 -1.129) 1.695 8.832 ( -0.237 -2.274 -2.743) 3.571 8.887 ( 0.304 3.394 1.351) 3.666 8.962 ( 1.787 -3.284 -3.197) 4.919 9.028 ( -1.691 4.763 0.234) 5.060 9.082 ( 0.465 1.366 -2.030) 2.491 9.138 ( 0.400 -0.816 -0.676) 1.132 9.171 ( 2.371 -4.967 0.447) 5.522 9.254 ( 0.811 0.035 0.529) 0.969 9.289 ( 0.777 -2.902 -0.242) 3.014 9.375 ( -2.063 3.800 -1.108) 4.464 9.430 ( -0.619 -2.108 -0.043) 2.198 9.474 ( -1.960 2.476 -1.709) 3.590 9.499 ( -2.366 0.669 -1.956) 3.142 9.619 ( 0.240 1.071 3.292) 3.470 9.630 ( 2.530 1.681 -1.911) 3.589 9.639 ( 1.359 -0.168 3.741) 3.983 9.682 ( 2.364 -2.740 -1.155) 3.799 9.799 ( -0.859 7.377 -1.340) 7.546 9.919 ( -1.420 -1.345 -0.435) 2.003 9.939 ( -3.705 2.774 -0.111) 4.630 10.050 ( -4.506 -1.861 1.288) 5.043 10.101 ( 0.706 -1.062 0.227) 1.296 10.146 ( -1.413 -5.113 -3.209) 6.199 10.276 ( -7.576 1.719 -1.326) 7.881 10.305 ( -8.778 -1.372 -2.391) 9.200 10.460 ( -3.003 2.813 1.276) 4.308 10.524 ( -1.699 -1.901 1.025) 2.749 10.565 ( -4.810 3.213 -1.793) 6.056 10.606 ( -4.424 0.372 -0.523) 4.470 10.810 ( -2.996 3.196 -1.019) 4.498 10.869 ( -3.132 -1.079 1.103) 3.492 10.920 ( -5.454 -0.397 5.060) 7.451 10.935 ( -3.458 -0.966 3.235) 4.833 11.427 ( -2.196 4.220 -0.047) 4.758 11.517 ( -0.892 -2.372 0.130) 2.538 11.684 ( 2.225 2.070 2.129) 3.710 11.787 ( 2.658 -4.449 0.915) 5.263 11.814 ( -0.039 3.159 1.330) 3.428 11.928 ( -0.551 -7.993 -0.396) 8.022 12.191 ( 4.133 4.016 0.515) 5.786 12.250 ( 1.432 3.298 -1.868) 4.052 12.351 ( 2.644 -4.311 -1.744) 5.350 12.408 ( 4.191 -6.657 -6.293) 10.074 12.511 ( -3.289 4.355 -0.951) 5.540 12.544 ( -3.963 3.997 4.267) 7.064 12.635 ( 2.953 -0.102 0.323) 2.973 12.674 ( 3.191 -0.952 -0.614) 3.386 12.729 ( 2.922 -3.053 -5.655) 7.060 12.812 ( -0.074 -6.761 -0.533) 6.783 12.906 ( 3.906 2.725 -5.780) 7.490 12.971 ( 2.352 -3.223 -1.457) 4.248 13.194 ( -0.471 0.655 0.888) 1.200 13.235 ( 1.797 -2.738 3.394) 4.716 13.379 ( -5.857 7.094 6.114) 11.046 13.500 ( -2.812 -0.372 4.419) 5.251 13.534 ( -0.277 4.516 4.040) 6.066 13.639 ( -1.552 1.430 -0.755) 2.242 13.681 ( -1.161 1.819 2.619) 3.393 13.783 ( 2.450 -5.199 -3.782) 6.880 13.913 ( 2.273 1.197 -2.221) 3.396 13.968 ( 2.131 -5.341 0.000) 5.751 14.225 ( -0.580 0.883 0.031) 1.057 14.244 ( -0.318 -0.659 1.403) 1.583 14.355 ( -0.138 0.352 1.796) 1.836 14.363 ( 0.788 -0.218 -0.818) 1.157 14.545 ( 2.884 1.359 0.668) 3.258 14.555 ( 2.515 -0.015 -0.181) 2.521 14.758 ( 0.933 2.373 0.186) 2.556 14.795 ( 0.743 -1.310 0.159) 1.514 14.908 ( 1.182 5.296 -1.142) 5.545 14.995 ( 1.807 -4.149 1.798) 4.870 15.096 ( -0.236 0.673 -1.358) 1.534 15.111 ( 0.740 -0.777 -0.992) 1.462 15.228 ( 2.659 -0.519 -0.161) 2.714 15.274 ( 0.574 -4.723 2.142) 5.218 15.465 ( -0.503 2.084 0.393) 2.180 15.487 ( 0.659 1.430 0.112) 1.578 15.953 ( -0.907 13.602 -0.367) 13.637 16.203 ( -4.903 -10.435 -1.218) 11.594 16.667 ( -9.708 10.151 -1.831) 14.165 16.837 ( -5.594 -7.051 -2.548) 9.354 ======================= Grid point 9 (7/50) ======================= q-point: ( 0.29 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 14.762 4.589 10.585) 18.735 1.238 ( 11.463 3.411 4.610) 12.818 1.282 ( 11.253 3.329 10.297) 15.612 1.481 ( 3.044 3.278 1.278) 4.652 1.514 ( 5.034 -2.913 -2.063) 6.171 1.696 ( 8.995 -22.311 9.237) 25.769 1.824 ( 5.608 9.817 2.550) 11.589 1.986 ( 4.361 1.885 -0.945) 4.844 2.032 ( 4.202 4.685 3.570) 7.235 2.203 ( 0.603 -8.231 -1.415) 8.373 2.300 ( 7.906 4.666 1.290) 9.270 2.370 ( -3.473 2.597 0.835) 4.416 2.388 ( -1.558 0.149 -2.109) 2.626 2.440 ( -0.431 -0.204 1.747) 1.811 2.469 ( -0.917 -1.417 -1.861) 2.513 2.501 ( 0.100 0.168 -0.197) 0.278 2.609 ( 1.250 4.513 -1.723) 4.990 2.648 ( -8.233 1.811 -2.757) 8.869 2.701 ( -3.055 1.519 -1.636) 3.784 2.728 ( -0.548 1.438 -2.364) 2.821 2.821 ( 0.130 -3.279 -5.627) 6.514 2.852 ( -0.793 -4.868 -0.987) 5.030 2.883 ( 2.681 2.828 -2.431) 4.593 2.943 ( 2.239 -1.107 -0.557) 2.559 2.967 ( -0.210 0.839 4.058) 4.149 3.032 ( 5.088 -2.754 0.468) 5.805 3.126 ( 1.313 4.170 -1.300) 4.561 3.154 ( 0.991 -1.899 -0.158) 2.148 3.247 ( -1.016 2.266 0.290) 2.500 3.294 ( 0.701 2.009 0.923) 2.319 3.334 ( -0.469 0.563 -1.254) 1.453 3.381 ( 5.761 -7.421 -1.394) 9.498 3.473 ( 1.836 -0.414 0.507) 1.949 3.496 ( -0.407 0.694 -2.403) 2.534 3.531 ( 2.582 -1.724 2.195) 3.803 3.594 ( 1.466 -5.375 -0.747) 5.621 3.619 ( -1.701 -1.270 0.984) 2.340 3.693 ( 1.892 -5.100 -1.695) 5.698 3.756 ( 1.381 3.483 -6.965) 7.909 3.810 ( 1.058 0.121 -6.628) 6.713 3.835 ( -0.283 0.857 -4.055) 4.154 3.900 ( 2.748 -1.277 0.750) 3.122 3.937 ( 0.881 -0.208 0.663) 1.122 4.015 ( 0.708 -2.053 -3.013) 3.715 4.098 ( 0.683 0.701 -0.339) 1.036 4.137 ( 0.579 -2.041 -2.297) 3.127 4.227 ( -1.773 1.353 1.464) 2.668 4.241 ( -1.049 -0.875 2.208) 2.596 4.400 ( -0.289 1.721 -0.184) 1.755 4.423 ( -3.192 1.377 2.607) 4.345 4.466 ( 1.353 1.572 -3.228) 3.837 4.543 ( 0.329 -1.906 1.308) 2.335 4.590 ( 0.897 0.826 2.721) 2.982 4.637 ( 1.525 -2.003 4.214) 4.909 4.699 ( -0.625 3.789 2.049) 4.352 4.719 ( 0.369 4.348 -2.129) 4.855 4.775 ( 0.744 1.108 1.277) 1.847 4.811 ( -2.224 -0.307 3.102) 3.829 4.831 ( 1.229 -3.949 -1.637) 4.448 4.871 ( 1.099 -4.401 1.599) 4.809 4.948 ( 0.359 4.571 1.669) 4.879 5.002 ( -0.900 1.728 -0.216) 1.961 5.048 ( 0.870 2.078 -0.233) 2.265 5.116 ( 3.185 0.885 -1.190) 3.514 5.177 ( 1.934 -2.693 -1.407) 3.602 5.291 ( 0.302 -8.038 1.253) 8.140 5.368 ( 0.676 0.379 -1.232) 1.456 5.403 ( -2.389 1.951 -1.705) 3.525 5.454 ( 0.054 0.825 -0.611) 1.028 5.496 ( -0.445 -3.405 -0.251) 3.443 5.548 ( -3.220 0.074 -0.668) 3.290 5.642 ( 1.578 -5.594 0.029) 5.812 5.702 ( -1.580 3.635 2.643) 4.764 5.743 ( -0.147 0.210 0.724) 0.768 5.813 ( -2.195 3.373 -0.720) 4.088 5.868 ( -2.669 -0.951 -0.358) 2.856 5.953 ( -1.149 1.897 0.439) 2.261 6.006 ( -0.613 -3.408 -0.367) 3.482 6.071 ( 1.281 2.039 1.565) 2.872 6.118 ( -0.649 -1.344 -2.072) 2.554 6.175 ( -1.961 0.395 -0.414) 2.043 6.193 ( -2.307 1.365 1.850) 3.257 6.261 ( 3.306 -1.597 -3.942) 5.387 6.297 ( 1.461 -2.077 3.273) 4.142 6.344 ( -2.248 4.216 0.094) 4.779 6.413 ( -1.990 -1.989 -1.184) 3.052 6.453 ( -3.457 1.946 -2.793) 4.851 6.493 ( -0.717 0.018 -0.507) 0.878 6.523 ( -0.066 -0.091 -2.385) 2.388 6.541 ( 1.559 -0.189 -1.807) 2.394 6.587 ( -1.946 2.535 0.028) 3.196 6.646 ( -0.573 -1.671 3.043) 3.519 6.720 ( 2.113 2.578 -0.088) 3.334 6.760 ( 1.011 -0.162 2.193) 2.420 6.838 ( 2.471 3.587 2.941) 5.255 6.860 ( 2.567 -1.618 -1.056) 3.213 6.881 ( 0.502 1.566 1.811) 2.446 6.941 ( -1.604 -1.498 4.002) 4.564 6.988 ( 0.651 3.561 1.479) 3.911 7.059 ( 0.874 4.590 0.717) 4.728 7.126 ( 4.055 1.599 -1.926) 4.766 7.129 ( 0.333 -0.512 3.037) 3.097 7.187 ( 1.449 4.903 0.836) 5.181 7.226 ( 0.937 0.268 0.658) 1.176 7.281 ( 1.319 -0.634 1.158) 1.866 7.310 ( 3.504 -3.402 -0.731) 4.939 7.390 ( 2.776 -1.130 0.367) 3.020 7.455 ( 0.448 -3.853 -1.907) 4.323 7.508 ( 2.533 3.337 2.628) 4.946 7.589 ( 2.209 -1.897 -1.623) 3.334 7.640 ( -0.519 2.243 2.428) 3.346 7.688 ( 1.166 3.272 -3.301) 4.792 7.717 ( -0.951 -1.675 1.715) 2.579 7.761 ( -0.474 -3.783 2.515) 4.568 7.821 ( 3.244 2.044 0.326) 3.848 7.882 ( 2.943 -1.865 -1.379) 3.747 7.899 ( -0.510 -2.634 1.203) 2.940 7.925 ( -1.877 -3.171 -3.376) 4.998 8.050 ( -1.394 2.039 -0.400) 2.502 8.103 ( -0.808 -1.637 -1.565) 2.404 8.166 ( -0.672 1.826 -1.015) 2.194 8.199 ( -1.117 -0.458 2.045) 2.375 8.239 ( 2.527 -0.286 -0.407) 2.576 8.270 ( 1.812 -1.853 -0.226) 2.602 8.314 ( 1.290 2.278 1.625) 3.081 8.346 ( -0.875 -0.303 -0.751) 1.192 8.400 ( -1.441 2.776 1.748) 3.583 8.472 ( -3.005 -1.713 -2.136) 4.065 8.520 ( -0.490 0.241 -1.102) 1.230 8.541 ( 0.477 -1.267 -1.825) 2.272 8.577 ( 0.749 1.398 -3.038) 3.427 8.592 ( 1.879 -0.001 1.375) 2.328 8.653 ( 0.279 -0.773 1.233) 1.482 8.669 ( -0.422 0.128 2.300) 2.342 8.813 ( -0.684 0.040 1.596) 1.737 8.825 ( 0.547 -1.200 -0.122) 1.325 8.906 ( 0.799 3.395 -1.032) 3.637 8.946 ( -2.095 -0.411 -2.818) 3.535 8.975 ( -2.518 4.052 -0.623) 4.811 9.061 ( -0.529 -1.106 -3.558) 3.763 9.125 ( -2.606 0.786 -0.121) 2.725 9.177 ( -0.894 -1.648 -0.719) 2.008 9.240 ( -2.671 -1.309 -2.285) 3.751 9.259 ( -3.218 -3.697 -2.103) 5.333 9.325 ( -4.524 2.358 -3.719) 6.313 9.346 ( -2.180 1.503 -0.651) 2.727 9.427 ( -2.873 -0.538 0.267) 2.935 9.467 ( -0.980 -3.538 0.070) 3.672 9.621 ( 0.639 2.208 -0.619) 2.380 9.672 ( 2.085 -1.599 0.653) 2.708 9.710 ( 3.385 1.200 1.965) 4.094 9.745 ( 2.641 -2.204 2.516) 4.262 9.812 ( 1.001 7.306 2.152) 7.682 9.877 ( -1.790 3.295 0.875) 3.850 9.897 ( -0.247 -1.885 1.388) 2.353 10.003 ( -1.235 -3.359 0.341) 3.595 10.084 ( -0.611 -0.400 -2.547) 2.650 10.150 ( -0.161 -3.752 1.464) 4.031 10.191 ( -0.648 -1.461 -1.697) 2.331 10.214 ( -0.226 -3.020 -0.394) 3.054 10.397 ( -2.980 2.945 -0.298) 4.201 10.471 ( -3.101 -3.548 -0.335) 4.724 10.504 ( -1.659 3.197 -1.031) 3.746 10.547 ( -1.075 -1.230 -1.141) 1.992 10.742 ( -2.938 3.507 -0.766) 4.638 10.810 ( -3.179 -2.218 0.653) 3.931 10.886 ( -2.383 0.917 7.524) 7.945 10.907 ( -2.879 -0.320 7.281) 7.836 11.404 ( -0.203 5.488 0.556) 5.520 11.513 ( 0.971 -2.944 0.805) 3.203 11.709 ( -0.977 3.776 0.874) 3.997 11.777 ( -2.870 2.330 -0.673) 3.758 11.835 ( -0.197 -6.279 0.945) 6.352 11.888 ( -2.036 -6.068 -1.237) 6.519 12.192 ( -1.501 2.347 -0.013) 2.785 12.241 ( -0.938 -0.947 -4.626) 4.814 12.391 ( -0.104 5.174 -2.612) 5.797 12.413 ( 3.588 2.384 -3.882) 5.799 12.495 ( 2.643 -3.750 -5.643) 7.273 12.514 ( -1.796 -2.566 1.789) 3.607 12.661 ( -0.032 0.636 0.009) 0.637 12.696 ( 0.026 0.591 -2.156) 2.236 12.740 ( 0.994 -1.339 -2.122) 2.699 12.825 ( -0.504 -7.619 3.286) 8.313 12.921 ( 1.389 2.700 -7.474) 8.067 12.988 ( 1.229 -3.320 -5.722) 6.729 13.202 ( -0.556 1.902 2.109) 2.894 13.245 ( -2.523 -0.988 1.391) 3.046 13.350 ( 0.224 7.072 9.311) 11.695 13.470 ( -3.032 -0.894 9.730) 10.230 13.529 ( -1.050 11.654 -2.728) 12.015 13.606 ( 0.420 4.247 3.305) 5.398 13.727 ( 1.054 -5.084 4.298) 6.740 13.804 ( 1.693 -7.013 -5.301) 8.952 13.937 ( 1.439 2.425 -0.381) 2.846 14.043 ( 4.158 -8.055 0.700) 9.092 14.212 ( -0.312 0.999 -1.441) 1.781 14.243 ( -0.593 -1.797 1.456) 2.387 14.364 ( 0.256 0.412 1.021) 1.131 14.378 ( 1.014 -0.585 -0.166) 1.182 14.569 ( 0.168 2.077 0.047) 2.085 14.592 ( 1.332 0.511 -0.875) 1.674 14.773 ( 0.479 0.917 0.262) 1.067 14.802 ( -0.161 -1.426 0.554) 1.538 14.943 ( 1.828 5.235 -0.384) 5.558 15.010 ( -0.341 -2.598 0.889) 2.767 15.097 ( 1.143 2.059 -0.934) 2.533 15.128 ( 1.406 -1.062 -0.872) 1.966 15.266 ( 0.781 0.396 0.054) 0.877 15.308 ( 2.066 -1.879 1.316) 3.087 15.453 ( -0.591 2.679 0.010) 2.743 15.550 ( 4.779 -3.103 0.559) 5.726 15.931 ( -0.740 10.510 -0.179) 10.537 16.112 ( -3.807 -7.090 -1.143) 8.128 16.482 ( -8.367 11.700 -1.810) 14.497 16.740 ( -3.450 -12.136 -1.423) 12.697 ======================= Grid point 10 (8/50) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 0.181 1.668 3.590) 3.963 1.317 ( 0.604 -5.377 2.425) 5.929 1.631 ( 9.197 4.254 0.634) 10.153 1.665 ( 15.120 8.759 8.111) 19.265 1.702 ( 10.746 -1.437 3.505) 11.394 1.886 ( 3.021 -3.446 4.330) 6.305 1.923 ( 5.851 -1.451 2.321) 6.460 2.022 ( 2.500 -0.153 -4.209) 4.898 2.107 ( -7.328 5.563 -2.490) 9.531 2.120 ( -0.383 -1.018 -1.808) 2.110 2.175 ( -7.322 -5.414 -0.683) 9.132 2.283 ( -3.652 -0.639 0.830) 3.799 2.353 ( -7.410 -6.673 -3.385) 10.531 2.418 ( -1.654 -3.690 -1.247) 4.232 2.474 ( 0.446 5.597 1.094) 5.720 2.506 ( 0.377 -0.354 -2.142) 2.204 2.534 ( -0.093 3.887 -2.560) 4.655 2.601 ( -2.504 -1.533 2.261) 3.706 2.671 ( 0.216 -1.034 2.600) 2.806 2.720 ( -1.534 -0.806 -5.262) 5.540 2.798 ( 0.801 -2.962 -3.709) 4.814 2.815 ( -1.687 -4.047 3.099) 5.369 2.916 ( 3.200 3.267 0.116) 4.574 2.970 ( -0.128 -0.824 0.642) 1.053 3.041 ( 1.842 4.664 0.136) 5.016 3.081 ( 1.493 1.627 -2.259) 3.159 3.172 ( 1.234 9.113 1.767) 9.364 3.204 ( 3.173 5.050 0.897) 6.031 3.249 ( 2.645 1.280 -1.098) 3.137 3.306 ( -0.945 1.122 1.160) 1.870 3.374 ( 3.505 0.559 0.713) 3.620 3.422 ( -0.421 0.190 -1.358) 1.434 3.499 ( 2.127 0.578 -2.683) 3.473 3.535 ( 2.142 -3.237 -0.984) 4.004 3.551 ( -1.376 0.068 1.583) 2.099 3.611 ( 1.942 0.651 3.328) 3.908 3.657 ( 1.968 -6.486 -0.276) 6.783 3.700 ( 0.963 -5.830 1.604) 6.123 3.744 ( -0.205 0.478 -1.093) 1.211 3.803 ( 1.303 2.364 -6.285) 6.840 3.833 ( 1.234 -6.016 -1.109) 6.241 3.905 ( -1.248 -7.377 -2.249) 7.813 3.944 ( -0.428 4.913 1.428) 5.134 4.000 ( 0.334 2.576 -2.217) 3.415 4.072 ( -2.105 1.594 -0.477) 2.683 4.131 ( 0.363 -8.238 -0.415) 8.256 4.208 ( -0.982 -1.953 0.746) 2.309 4.262 ( 0.064 -3.769 -0.408) 3.792 4.348 ( -1.256 1.820 0.459) 2.258 4.387 ( -3.011 -1.664 1.200) 3.643 4.499 ( 2.996 4.693 -0.405) 5.582 4.553 ( -0.860 -0.607 0.491) 1.161 4.629 ( 1.817 2.978 0.740) 3.565 4.662 ( -0.805 2.236 0.575) 2.445 4.688 ( -1.693 3.109 3.881) 5.253 4.723 ( 1.313 1.679 -1.090) 2.394 4.774 ( -1.335 4.953 -0.918) 5.212 4.786 ( 0.549 -1.586 1.429) 2.204 4.833 ( 0.087 -2.208 -3.482) 4.124 4.886 ( 0.142 -2.469 1.427) 2.856 4.966 ( 0.578 2.177 3.131) 3.857 4.997 ( -1.328 2.345 0.284) 2.710 5.035 ( -0.833 0.661 -1.055) 1.498 5.151 ( 0.719 -4.953 0.001) 5.005 5.187 ( 0.548 1.084 -2.666) 2.929 5.311 ( 0.761 -1.563 0.789) 1.909 5.337 ( -2.267 1.462 -0.563) 2.756 5.360 ( -0.369 -3.835 -1.035) 3.990 5.464 ( 0.385 -2.306 1.809) 2.956 5.487 ( -0.581 -3.657 -1.386) 3.954 5.543 ( 1.957 4.382 -0.224) 4.804 5.660 ( 0.374 -4.786 0.191) 4.804 5.713 ( 0.592 2.632 2.352) 3.579 5.743 ( 0.157 0.367 -1.750) 1.795 5.794 ( -0.454 3.642 0.703) 3.737 5.851 ( 0.115 -0.637 1.810) 1.923 5.948 ( 0.807 1.819 -1.024) 2.238 5.988 ( -1.808 -1.357 0.159) 2.266 6.041 ( -1.651 -0.006 -1.474) 2.213 6.059 ( -2.999 -0.964 0.567) 3.201 6.186 ( 2.214 2.517 -0.717) 3.428 6.207 ( 0.743 1.171 0.500) 1.474 6.280 ( 0.447 0.289 -1.724) 1.804 6.300 ( -1.774 -1.391 2.168) 3.127 6.323 ( -1.014 0.467 -0.701) 1.319 6.365 ( -0.584 -1.200 -0.213) 1.352 6.413 ( -0.043 2.450 -1.678) 2.970 6.476 ( 0.209 -2.191 1.241) 2.527 6.532 ( -0.700 1.536 -0.112) 1.692 6.553 ( -0.374 0.230 -2.216) 2.259 6.571 ( 1.642 2.000 -1.080) 2.804 6.655 ( 0.112 -3.420 0.917) 3.543 6.769 ( 2.677 0.046 -0.591) 2.742 6.792 ( 1.142 -0.752 2.135) 2.535 6.858 ( -0.352 1.696 2.719) 3.223 6.878 ( -1.015 1.586 0.166) 1.890 6.919 ( 1.953 1.495 2.509) 3.513 6.960 ( 0.921 1.413 3.478) 3.866 7.003 ( -0.351 2.554 -0.819) 2.705 7.053 ( -0.447 0.385 -0.660) 0.886 7.129 ( -0.337 2.349 0.308) 2.393 7.149 ( -1.565 2.382 -2.511) 3.798 7.181 ( 0.939 -0.876 0.043) 1.285 7.245 ( -0.618 -3.659 -0.657) 3.768 7.301 ( -0.082 1.999 0.803) 2.155 7.364 ( 2.328 -3.203 0.309) 3.972 7.474 ( 2.672 -0.551 0.502) 2.775 7.485 ( 4.629 -0.773 -1.887) 5.059 7.562 ( 1.059 0.900 3.219) 3.506 7.581 ( -0.155 0.470 -1.882) 1.946 7.633 ( -1.723 -1.152 1.234) 2.412 7.683 ( -0.388 -2.868 1.556) 3.286 7.706 ( 0.305 0.304 -0.414) 0.597 7.764 ( -1.357 -2.987 -1.663) 3.678 7.817 ( -1.266 3.839 -0.601) 4.087 7.862 ( -1.643 -0.490 0.857) 1.916 7.917 ( 0.640 1.712 0.814) 2.001 7.967 ( 3.552 -3.588 -0.345) 5.061 8.023 ( -1.346 -0.545 -0.027) 1.453 8.063 ( -0.640 -1.437 -1.362) 2.081 8.150 ( 0.674 0.612 0.242) 0.941 8.188 ( -1.331 -2.207 -0.039) 2.578 8.256 ( -0.069 1.113 -0.298) 1.154 8.283 ( -1.515 -1.238 -0.040) 1.957 8.337 ( -1.986 1.460 1.015) 2.665 8.363 ( 1.349 -0.939 -0.525) 1.726 8.388 ( 2.864 1.412 -0.028) 3.193 8.441 ( -1.541 -2.358 0.956) 2.975 8.514 ( 1.077 2.419 -0.068) 2.649 8.555 ( 0.754 -0.265 -3.035) 3.138 8.596 ( 2.715 -0.299 -1.966) 3.366 8.618 ( 0.685 -2.449 -0.911) 2.701 8.681 ( 0.234 0.155 2.861) 2.875 8.685 ( 1.044 -0.394 0.874) 1.417 8.788 ( -2.210 0.985 0.144) 2.424 8.827 ( 0.021 -1.479 2.019) 2.503 8.882 ( -0.047 3.420 -1.802) 3.866 8.915 ( -0.334 0.231 -0.712) 0.819 8.966 ( 0.517 3.119 -0.385) 3.185 9.003 ( -4.051 -0.372 -1.270) 4.262 9.051 ( -3.087 2.011 -0.787) 3.768 9.125 ( -3.019 -2.317 -1.570) 4.117 9.182 ( 0.703 0.116 -0.937) 1.177 9.222 ( -1.298 -1.114 -0.433) 1.765 9.264 ( -0.233 2.611 -0.586) 2.686 9.302 ( -2.192 4.481 -1.086) 5.105 9.378 ( -1.773 -0.166 0.417) 1.828 9.464 ( 0.305 -1.852 -0.001) 1.877 9.637 ( 0.833 4.648 0.299) 4.731 9.705 ( 0.675 -2.331 -0.368) 2.454 9.765 ( 0.914 0.212 2.958) 3.103 9.782 ( 0.746 0.850 -1.046) 1.541 9.824 ( 0.414 0.376 1.758) 1.844 9.875 ( -0.160 -0.178 0.108) 0.262 9.923 ( 0.994 -0.487 2.960) 3.160 9.966 ( -1.813 -3.268 -2.314) 4.396 10.083 ( 0.673 -0.433 -0.344) 0.871 10.155 ( 0.042 -3.817 -0.378) 3.836 10.214 ( 3.251 -0.135 0.887) 3.373 10.233 ( 1.525 -3.151 0.902) 3.615 10.348 ( -1.908 1.739 -0.854) 2.719 10.397 ( -5.141 -1.805 -2.255) 5.897 10.500 ( 2.494 -0.695 -0.590) 2.655 10.531 ( -0.787 -2.796 -0.390) 2.931 10.731 ( 1.760 3.765 -0.025) 4.156 10.766 ( -1.690 0.780 0.035) 1.862 10.867 ( -2.734 1.074 3.473) 4.549 10.896 ( -1.170 -1.341 4.761) 5.083 11.419 ( 0.850 8.851 0.317) 8.897 11.567 ( 3.820 0.698 1.186) 4.060 11.665 ( -3.907 -1.604 -0.788) 4.297 11.709 ( -2.137 5.327 -0.132) 5.741 11.805 ( -1.769 -8.861 -0.560) 9.053 11.859 ( -0.718 -7.546 -0.155) 7.581 12.168 ( -0.599 2.555 0.156) 2.629 12.212 ( -0.273 0.405 -2.543) 2.590 12.355 ( -0.845 2.607 0.527) 2.791 12.462 ( -0.887 -4.771 -1.620) 5.116 12.513 ( 3.954 -1.849 -2.276) 4.923 12.534 ( 3.218 -1.736 -3.113) 4.802 12.633 ( -2.579 4.103 -1.119) 4.974 12.680 ( -0.655 0.502 0.408) 0.920 12.742 ( 0.041 0.882 -0.097) 0.888 12.807 ( -2.091 -3.545 2.030) 4.589 12.905 ( 0.070 2.414 -2.547) 3.510 12.973 ( -0.120 -4.597 -2.427) 5.199 13.190 ( -0.491 0.192 0.613) 0.809 13.215 ( -1.225 -1.219 1.028) 2.011 13.433 ( 3.127 8.239 6.091) 10.712 13.463 ( -0.955 10.512 2.340) 10.811 13.504 ( -1.200 8.194 -3.060) 8.829 13.657 ( 1.942 -2.129 6.601) 7.203 13.725 ( -1.549 -5.901 -3.414) 6.992 13.805 ( 0.501 -11.019 -1.389) 11.117 13.965 ( 1.000 5.963 0.478) 6.065 14.103 ( 1.469 -7.159 0.637) 7.336 14.201 ( -0.083 1.165 -1.141) 1.632 14.240 ( -0.237 -2.726 0.617) 2.805 14.373 ( 0.245 0.897 0.255) 0.964 14.394 ( 0.516 -0.797 0.136) 0.959 14.569 ( -0.055 2.818 0.030) 2.819 14.600 ( 0.213 0.663 -0.651) 0.953 14.781 ( 0.305 -0.625 -0.063) 0.699 14.799 ( -0.386 -1.495 0.521) 1.629 14.958 ( 0.208 2.725 -0.210) 2.741 15.006 ( -0.204 -2.541 0.141) 2.553 15.120 ( 0.927 3.096 -0.097) 3.233 15.147 ( 0.671 -0.628 -0.367) 0.989 15.273 ( 0.121 2.857 0.216) 2.867 15.344 ( 0.968 -1.536 0.175) 1.824 15.448 ( 0.003 2.617 0.002) 2.617 15.626 ( 2.118 -8.986 0.281) 9.237 15.939 ( 1.321 6.425 0.255) 6.565 16.049 ( -2.179 -3.833 -0.605) 4.450 16.351 ( -3.921 17.275 -0.867) 17.735 16.691 ( -1.183 -14.394 -0.453) 14.450 ======================= Grid point 21 (9/50) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( -1.964 0.000 27.290) 27.361 0.554 ( 2.334 0.000 26.264) 26.368 0.893 ( 7.383 0.000 42.896) 43.527 1.492 ( -2.524 0.000 0.938) 2.693 1.505 ( 3.601 0.000 -7.227) 8.074 1.645 ( 2.627 0.000 -1.203) 2.890 1.699 ( 5.537 0.000 -2.362) 6.020 1.760 ( 4.363 0.000 -13.126) 13.832 1.854 ( 7.675 0.000 -14.377) 16.297 1.971 ( 2.365 0.000 -1.433) 2.765 2.024 ( 10.980 0.000 -3.480) 11.518 2.090 ( 3.330 0.000 -11.206) 11.690 2.263 ( 0.360 0.000 -5.509) 5.521 2.399 ( 4.210 0.000 -7.980) 9.023 2.511 ( 1.033 0.000 -4.553) 4.669 2.515 ( 0.135 0.000 -5.163) 5.165 2.592 ( 3.728 0.000 -9.157) 9.886 2.630 ( 0.807 0.000 -1.069) 1.339 2.663 ( 2.503 0.000 -6.766) 7.214 2.779 ( -0.091 0.000 -13.342) 13.342 2.816 ( -0.976 0.000 -1.623) 1.893 2.855 ( -1.049 0.000 0.393) 1.121 2.935 ( 4.409 0.000 -1.761) 4.748 2.980 ( 1.125 0.000 5.636) 5.747 3.031 ( -2.846 0.000 -1.789) 3.362 3.043 ( -0.353 0.000 1.717) 1.753 3.111 ( -4.536 0.000 3.917) 5.993 3.118 ( -2.898 0.000 -0.050) 2.898 3.207 ( 0.491 0.000 1.044) 1.154 3.237 ( -1.049 0.000 -2.328) 2.553 3.251 ( -2.049 0.000 -4.602) 5.038 3.297 ( 4.073 0.000 -1.004) 4.195 3.368 ( 2.602 0.000 -3.690) 4.515 3.404 ( -1.233 0.000 3.448) 3.662 3.430 ( 1.271 0.000 2.929) 3.193 3.477 ( -2.433 0.000 1.473) 2.844 3.613 ( -0.965 0.000 -6.402) 6.474 3.643 ( -0.136 0.000 4.782) 4.784 3.708 ( 1.537 0.000 -2.993) 3.365 3.810 ( -0.058 0.000 -0.694) 0.696 3.842 ( -1.969 0.000 -0.363) 2.002 3.901 ( -3.840 0.000 -2.625) 4.652 3.941 ( -4.042 0.000 -5.640) 6.939 3.989 ( -3.162 0.000 -1.862) 3.669 4.053 ( 2.898 0.000 -1.371) 3.206 4.100 ( -2.503 0.000 0.815) 2.633 4.172 ( 1.082 0.000 -3.831) 3.981 4.230 ( 2.311 0.000 -7.877) 8.209 4.314 ( 3.328 0.000 -4.593) 5.671 4.406 ( 2.201 0.000 -0.654) 2.296 4.441 ( 5.589 0.000 -3.535) 6.614 4.466 ( 3.064 0.000 -1.475) 3.401 4.495 ( 1.369 0.000 6.698) 6.837 4.611 ( 2.915 0.000 -4.034) 4.978 4.642 ( -5.060 0.000 4.290) 6.633 4.729 ( 4.315 0.000 -5.922) 7.327 4.744 ( -0.106 0.000 5.542) 5.543 4.786 ( -0.841 0.000 0.662) 1.070 4.844 ( 0.766 0.000 4.854) 4.914 4.897 ( -2.412 0.000 5.307) 5.829 4.963 ( -1.367 0.000 2.551) 2.895 5.030 ( -1.683 0.000 5.653) 5.898 5.094 ( -4.950 0.000 1.174) 5.087 5.110 ( -0.239 0.000 1.340) 1.361 5.161 ( -2.720 0.000 6.149) 6.724 5.272 ( 0.224 0.000 -0.161) 0.276 5.371 ( 2.529 0.000 -4.152) 4.862 5.452 ( 0.960 0.000 3.436) 3.567 5.509 ( -2.578 0.000 3.013) 3.965 5.562 ( -0.882 0.000 7.012) 7.067 5.647 ( 1.643 0.000 0.456) 1.705 5.665 ( -1.796 0.000 -3.232) 3.698 5.716 ( 0.633 0.000 0.490) 0.800 5.759 ( 1.625 0.000 1.366) 2.123 5.792 ( 3.779 0.000 0.018) 3.779 5.923 ( -2.533 0.000 -2.056) 3.262 5.994 ( -2.719 0.000 -4.063) 4.889 6.030 ( -1.064 0.000 -0.960) 1.433 6.098 ( -0.250 0.000 -0.194) 0.316 6.144 ( -0.948 0.000 -0.320) 1.000 6.187 ( 5.789 0.000 1.410) 5.958 6.214 ( -0.484 0.000 -0.720) 0.867 6.243 ( 0.815 0.000 -2.430) 2.563 6.256 ( -3.144 0.000 -1.889) 3.668 6.347 ( 0.632 0.000 2.058) 2.153 6.392 ( 5.157 0.000 3.352) 6.151 6.463 ( -5.008 0.000 2.006) 5.395 6.509 ( 1.461 0.000 -3.285) 3.595 6.538 ( -2.300 0.000 -1.973) 3.030 6.583 ( -1.045 0.000 -0.683) 1.248 6.616 ( -0.268 0.000 4.144) 4.153 6.660 ( -0.152 0.000 -0.543) 0.564 6.700 ( 1.299 0.000 -1.304) 1.840 6.770 ( 5.412 0.000 4.186) 6.842 6.785 ( -3.516 0.000 5.193) 6.271 6.807 ( -1.399 0.000 1.142) 1.806 6.870 ( -0.302 0.000 1.595) 1.623 6.904 ( 4.714 0.000 4.684) 6.645 6.962 ( 0.359 0.000 1.245) 1.295 6.992 ( 1.314 0.000 2.402) 2.738 7.030 ( -1.529 0.000 3.261) 3.601 7.039 ( -2.578 0.000 2.973) 3.935 7.060 ( 2.914 0.000 3.345) 4.436 7.137 ( -3.484 0.000 0.287) 3.496 7.206 ( -0.215 0.000 0.547) 0.588 7.307 ( -0.653 0.000 0.073) 0.657 7.348 ( 6.316 0.000 -1.372) 6.463 7.366 ( -0.050 0.000 -0.318) 0.322 7.407 ( -1.797 0.000 2.809) 3.335 7.487 ( -0.120 0.000 5.152) 5.154 7.504 ( 0.017 0.000 4.337) 4.337 7.628 ( 3.103 0.000 -2.709) 4.120 7.681 ( -3.756 0.000 -1.718) 4.131 7.783 ( 1.474 0.000 0.492) 1.554 7.865 ( 0.589 0.000 -4.169) 4.210 7.903 ( -4.713 0.000 -0.446) 4.734 7.940 ( 0.243 0.000 -1.871) 1.887 7.993 ( 0.260 0.000 4.588) 4.595 8.046 ( -3.028 0.000 6.005) 6.725 8.143 ( 0.277 0.000 5.254) 5.262 8.193 ( -0.518 0.000 -2.253) 2.312 8.235 ( 2.075 0.000 3.275) 3.877 8.275 ( 0.160 0.000 -2.084) 2.090 8.326 ( -0.797 0.000 3.004) 3.108 8.355 ( -1.906 0.000 2.871) 3.446 8.423 ( -1.305 0.000 -1.886) 2.294 8.473 ( 0.867 0.000 1.997) 2.177 8.523 ( -2.009 0.000 0.927) 2.212 8.551 ( -2.576 0.000 0.874) 2.720 8.645 ( 3.040 0.000 2.145) 3.720 8.652 ( -0.806 0.000 3.437) 3.530 8.709 ( -0.577 0.000 2.506) 2.572 8.729 ( -0.319 0.000 1.818) 1.846 8.812 ( 1.445 0.000 -1.048) 1.785 8.825 ( -6.057 0.000 6.090) 8.589 8.863 ( 4.416 0.000 1.222) 4.582 8.943 ( -3.723 0.000 1.526) 4.024 9.030 ( -1.353 0.000 5.754) 5.911 9.058 ( -1.385 0.000 1.093) 1.764 9.080 ( -1.445 0.000 -2.040) 2.500 9.202 ( -1.926 0.000 -0.260) 1.944 9.246 ( -2.807 0.000 -2.822) 3.980 9.280 ( 0.589 0.000 3.025) 3.082 9.342 ( 0.467 0.000 0.170) 0.497 9.366 ( -2.464 0.000 -0.257) 2.477 9.448 ( -0.320 0.000 0.761) 0.825 9.470 ( -1.694 0.000 -2.833) 3.301 9.568 ( -4.480 0.000 0.996) 4.589 9.588 ( -0.885 0.000 -0.965) 1.309 9.613 ( -1.022 0.000 -0.119) 1.029 9.672 ( -2.354 0.000 4.691) 5.249 9.768 ( 0.829 0.000 3.648) 3.741 9.820 ( -3.645 0.000 0.411) 3.668 9.914 ( -0.330 0.000 2.573) 2.594 10.026 ( 0.574 0.000 0.802) 0.986 10.109 ( 1.214 0.000 -1.042) 1.600 10.167 ( -1.038 0.000 3.128) 3.296 10.264 ( -4.715 0.000 -3.388) 5.806 10.375 ( 0.025 0.000 0.759) 0.759 10.449 ( -19.896 0.000 0.576) 19.904 10.469 ( -1.505 0.000 -1.932) 2.449 10.524 ( 0.098 0.000 -1.163) 1.167 10.616 ( -11.018 0.000 2.979) 11.413 10.626 ( 0.012 0.000 -0.397) 0.397 10.785 ( -0.509 0.000 -3.671) 3.706 10.916 ( 2.815 0.000 1.422) 3.154 10.972 ( 1.617 0.000 -1.344) 2.102 11.002 ( 5.104 0.000 0.011) 5.104 11.356 ( 12.128 0.000 -0.981) 12.167 11.417 ( 2.245 0.000 -1.521) 2.712 11.664 ( 8.436 0.000 -3.185) 9.018 11.723 ( -0.668 0.000 -4.232) 4.284 11.773 ( 8.842 0.000 -2.137) 9.097 11.922 ( 10.185 0.000 -5.092) 11.387 11.960 ( 6.288 0.000 -3.505) 7.198 12.068 ( 1.983 0.000 -11.592) 11.761 12.242 ( 4.294 0.000 -8.679) 9.683 12.277 ( 2.927 0.000 -9.582) 10.019 12.361 ( -3.277 0.000 -11.307) 11.773 12.433 ( -3.256 0.000 -13.191) 13.587 12.570 ( -4.216 0.000 1.457) 4.461 12.629 ( 2.471 0.000 -8.153) 8.519 12.699 ( 3.105 0.000 -1.545) 3.468 12.769 ( -3.293 0.000 7.018) 7.752 12.933 ( -1.106 0.000 5.234) 5.350 13.027 ( 4.079 0.000 -2.480) 4.774 13.179 ( -1.783 0.000 -1.308) 2.211 13.235 ( -1.862 0.000 0.929) 2.081 13.374 ( -2.014 0.000 3.910) 4.398 13.454 ( 9.879 0.000 -8.505) 13.036 13.500 ( -2.988 0.000 6.337) 7.006 13.566 ( -1.146 0.000 -3.072) 3.279 13.670 ( 2.435 0.000 2.196) 3.279 13.880 ( -2.234 0.000 -3.268) 3.958 13.919 ( -1.892 0.000 5.334) 5.660 14.030 ( -1.276 0.000 8.752) 8.844 14.169 ( 2.070 0.000 -1.934) 2.833 14.214 ( 1.021 0.000 -3.244) 3.400 14.421 ( -0.909 0.000 5.732) 5.803 14.485 ( 4.248 0.000 -2.678) 5.022 14.558 ( -1.652 0.000 6.503) 6.709 14.613 ( -1.811 0.000 0.569) 1.898 14.701 ( 2.953 0.000 -5.561) 6.296 14.779 ( -2.611 0.000 3.011) 3.985 14.886 ( -8.498 0.000 4.846) 9.783 15.094 ( -1.431 0.000 2.085) 2.528 15.164 ( 1.054 0.000 4.281) 4.408 15.213 ( -3.218 0.000 3.358) 4.651 15.218 ( -2.701 0.000 5.192) 5.853 15.422 ( -0.627 0.000 1.204) 1.358 15.503 ( 3.619 0.000 0.653) 3.678 15.540 ( -0.633 0.000 3.198) 3.260 15.757 ( -0.579 0.000 0.181) 0.607 16.387 ( -6.404 0.000 -7.152) 9.600 16.562 ( 15.409 0.000 -8.377) 17.539 16.605 ( -6.266 0.000 -8.254) 10.363 ======================= Grid point 22 (10/50) ======================= q-point: ( 0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 15.667 0.000 17.895) 23.784 0.891 ( 17.184 0.000 18.834) 25.495 1.435 ( 1.566 0.000 -6.376) 6.566 1.502 ( 23.414 0.000 33.505) 40.875 1.539 ( 1.676 0.000 -1.012) 1.958 1.646 ( -2.901 0.000 0.062) 2.902 1.676 ( -0.925 0.000 1.274) 1.575 1.865 ( 8.626 0.000 -8.779) 12.308 1.928 ( 11.505 0.000 -16.428) 20.056 2.022 ( 2.845 0.000 -6.102) 6.733 2.146 ( 3.496 0.000 -10.643) 11.203 2.188 ( 10.551 0.000 -1.210) 10.621 2.249 ( 1.644 0.000 -5.652) 5.886 2.401 ( -0.622 0.000 -5.772) 5.805 2.462 ( -0.651 0.000 -11.279) 11.298 2.513 ( 1.751 0.000 -1.423) 2.256 2.553 ( -2.821 0.000 -11.709) 12.044 2.629 ( -2.143 0.000 -2.266) 3.119 2.671 ( -0.643 0.000 -7.157) 7.186 2.725 ( 2.541 0.000 -6.456) 6.938 2.777 ( -2.696 0.000 0.752) 2.799 2.837 ( -0.657 0.000 -1.262) 1.423 2.946 ( 0.512 0.000 -6.243) 6.264 2.959 ( -2.156 0.000 1.387) 2.564 2.984 ( -1.551 0.000 -1.145) 1.928 3.035 ( -1.351 0.000 5.160) 5.334 3.117 ( 1.523 0.000 0.700) 1.676 3.155 ( -2.779 0.000 -0.762) 2.882 3.200 ( 0.278 0.000 -4.864) 4.872 3.239 ( 3.128 0.000 -6.046) 6.807 3.260 ( 6.744 0.000 -2.268) 7.115 3.348 ( 0.470 0.000 -4.068) 4.095 3.408 ( 2.819 0.000 -1.072) 3.016 3.428 ( 0.184 0.000 2.921) 2.927 3.482 ( 3.875 0.000 -1.562) 4.178 3.521 ( 3.471 0.000 -7.652) 8.402 3.562 ( 1.478 0.000 -1.185) 1.894 3.664 ( -0.642 0.000 1.554) 1.682 3.725 ( 0.359 0.000 -1.279) 1.329 3.775 ( -0.853 0.000 -4.589) 4.668 3.838 ( -0.963 0.000 3.911) 4.028 3.898 ( 1.642 0.000 1.485) 2.214 3.922 ( 6.293 0.000 -0.782) 6.342 3.985 ( 4.144 0.000 -3.080) 5.164 4.037 ( 0.835 0.000 -5.291) 5.357 4.087 ( 0.074 0.000 2.775) 2.776 4.208 ( 2.163 0.000 -4.437) 4.936 4.222 ( 0.527 0.000 -4.811) 4.840 4.349 ( 1.486 0.000 -8.244) 8.377 4.422 ( -3.169 0.000 3.968) 5.078 4.456 ( 4.364 0.000 -1.279) 4.548 4.497 ( -0.813 0.000 0.960) 1.258 4.560 ( -0.882 0.000 -0.561) 1.046 4.641 ( 0.171 0.000 0.102) 0.199 4.656 ( 5.990 0.000 -1.363) 6.144 4.729 ( -0.697 0.000 -5.196) 5.242 4.777 ( 1.446 0.000 -2.080) 2.533 4.811 ( 2.056 0.000 -0.385) 2.092 4.835 ( -1.209 0.000 -3.692) 3.885 4.885 ( -0.604 0.000 4.629) 4.668 4.979 ( -0.468 0.000 6.769) 6.785 5.009 ( -1.975 0.000 3.689) 4.185 5.067 ( 0.594 0.000 -0.755) 0.961 5.092 ( -2.379 0.000 9.717) 10.004 5.186 ( 1.693 0.000 4.011) 4.354 5.278 ( 1.415 0.000 -4.242) 4.472 5.381 ( 2.034 0.000 -6.003) 6.338 5.474 ( -1.938 0.000 4.475) 4.877 5.486 ( -2.075 0.000 3.764) 4.297 5.578 ( -3.003 0.000 0.176) 3.008 5.604 ( 1.101 0.000 -2.889) 3.092 5.652 ( -0.473 0.000 0.263) 0.541 5.734 ( -1.307 0.000 1.182) 1.762 5.788 ( -2.012 0.000 5.064) 5.449 5.821 ( -1.690 0.000 -0.135) 1.696 5.854 ( -2.122 0.000 -3.501) 4.094 5.953 ( 0.741 0.000 -0.932) 1.191 5.982 ( -0.552 0.000 0.768) 0.946 6.095 ( -2.925 0.000 -2.262) 3.697 6.124 ( 1.401 0.000 1.891) 2.353 6.171 ( -2.817 0.000 0.140) 2.820 6.192 ( -0.650 0.000 -3.544) 3.603 6.237 ( 0.960 0.000 -0.834) 1.272 6.276 ( -1.222 0.000 -1.082) 1.632 6.356 ( -4.531 0.000 -3.332) 5.624 6.409 ( 2.535 0.000 -0.034) 2.535 6.448 ( -1.906 0.000 -2.221) 2.927 6.490 ( 3.237 0.000 -0.720) 3.316 6.537 ( -0.973 0.000 0.196) 0.992 6.576 ( 0.704 0.000 1.822) 1.953 6.636 ( -0.631 0.000 7.508) 7.534 6.686 ( -0.266 0.000 6.026) 6.032 6.722 ( 0.683 0.000 4.177) 4.233 6.771 ( -1.840 0.000 3.493) 3.948 6.798 ( 3.963 0.000 1.782) 4.345 6.869 ( -0.843 0.000 6.244) 6.301 6.904 ( 1.474 0.000 0.393) 1.525 6.936 ( -0.982 0.000 2.864) 3.027 6.977 ( 0.282 0.000 3.651) 3.662 7.012 ( 1.473 0.000 1.833) 2.351 7.035 ( 1.312 0.000 2.383) 2.720 7.053 ( 0.309 0.000 2.841) 2.858 7.130 ( 2.797 0.000 0.639) 2.869 7.164 ( 0.676 0.000 -0.043) 0.677 7.203 ( 8.931 0.000 -0.638) 8.954 7.335 ( 1.279 0.000 -1.573) 2.027 7.370 ( 1.532 0.000 0.271) 1.556 7.439 ( 1.287 0.000 1.243) 1.789 7.468 ( 4.784 0.000 2.226) 5.277 7.537 ( 2.756 0.000 2.945) 4.033 7.587 ( 1.620 0.000 -1.697) 2.346 7.625 ( 3.947 0.000 3.901) 5.549 7.696 ( 4.335 0.000 -3.086) 5.321 7.763 ( -4.882 0.000 1.904) 5.240 7.841 ( -0.346 0.000 -0.703) 0.784 7.868 ( 1.619 0.000 -3.461) 3.821 7.962 ( 2.908 0.000 -0.069) 2.909 7.993 ( -3.131 0.000 3.157) 4.447 8.036 ( -0.530 0.000 2.272) 2.333 8.130 ( -2.627 0.000 -1.470) 3.010 8.187 ( 1.122 0.000 4.913) 5.039 8.262 ( -2.462 0.000 1.956) 3.144 8.272 ( 0.456 0.000 0.241) 0.516 8.301 ( -3.104 0.000 -0.317) 3.121 8.328 ( -0.273 0.000 6.437) 6.443 8.363 ( -3.095 0.000 2.303) 3.858 8.441 ( -3.139 0.000 -3.291) 4.547 8.506 ( -2.153 0.000 -1.538) 2.646 8.528 ( 1.121 0.000 2.892) 3.101 8.612 ( -6.119 0.000 2.238) 6.515 8.665 ( -1.858 0.000 3.300) 3.787 8.675 ( -6.169 0.000 7.175) 9.462 8.727 ( -0.171 0.000 1.014) 1.028 8.772 ( 0.668 0.000 2.125) 2.227 8.826 ( -1.534 0.000 1.523) 2.162 8.885 ( 0.279 0.000 -0.532) 0.601 8.936 ( -4.352 0.000 3.635) 5.670 8.962 ( -2.024 0.000 7.692) 7.954 9.016 ( -2.599 0.000 3.233) 4.148 9.082 ( -7.257 0.000 7.843) 10.686 9.149 ( -0.181 0.000 -1.584) 1.595 9.197 ( -0.177 0.000 3.265) 3.270 9.251 ( -3.170 0.000 -2.022) 3.761 9.307 ( -1.080 0.000 0.059) 1.082 9.351 ( -0.418 0.000 0.726) 0.837 9.408 ( -3.680 0.000 -0.023) 3.680 9.474 ( 0.634 0.000 -1.334) 1.477 9.488 ( -1.957 0.000 -1.181) 2.285 9.593 ( 3.162 0.000 -1.131) 3.358 9.601 ( -1.156 0.000 0.792) 1.401 9.697 ( 1.347 0.000 4.426) 4.626 9.775 ( 0.735 0.000 4.353) 4.415 9.819 ( 1.159 0.000 4.096) 4.257 9.927 ( -1.758 0.000 4.971) 5.273 10.010 ( -1.795 0.000 2.145) 2.797 10.077 ( -5.908 0.000 0.845) 5.968 10.128 ( -4.784 0.000 1.739) 5.091 10.177 ( 0.009 0.000 3.123) 3.123 10.216 ( -2.249 0.000 -0.869) 2.411 10.337 ( -2.722 0.000 1.493) 3.104 10.397 ( -3.337 0.000 -2.411) 4.117 10.499 ( -3.895 0.000 1.473) 4.164 10.528 ( -1.009 0.000 -0.693) 1.224 10.590 ( -5.339 0.000 -1.876) 5.659 10.725 ( -1.562 0.000 -4.779) 5.028 10.928 ( -2.586 0.000 1.358) 2.921 10.981 ( 0.261 0.000 1.371) 1.396 11.048 ( -2.008 0.000 6.127) 6.448 11.360 ( -0.669 0.000 -2.521) 2.608 11.498 ( 1.807 0.000 -3.759) 4.171 11.661 ( 2.692 0.000 -4.815) 5.517 11.702 ( 0.610 0.000 -4.908) 4.945 11.815 ( 3.268 0.000 -4.161) 5.291 11.992 ( -0.736 0.000 -5.889) 5.934 12.062 ( 6.094 0.000 -7.050) 9.319 12.173 ( -3.407 0.000 -8.457) 9.117 12.197 ( 0.558 0.000 -9.092) 9.109 12.248 ( 0.124 0.000 -11.332) 11.333 12.256 ( 1.559 0.000 -16.375) 16.449 12.530 ( 12.461 0.000 -16.867) 20.971 12.568 ( 0.838 0.000 1.015) 1.316 12.657 ( 3.856 0.000 -6.721) 7.749 12.743 ( 1.161 0.000 1.889) 2.217 12.771 ( 1.470 0.000 1.703) 2.250 12.974 ( 3.326 0.000 3.152) 4.582 13.062 ( -0.454 0.000 -4.515) 4.537 13.119 ( -2.925 0.000 -3.389) 4.476 13.244 ( 1.898 0.000 4.286) 4.688 13.338 ( -2.821 0.000 2.252) 3.610 13.433 ( -4.026 0.000 1.375) 4.254 13.547 ( -0.824 0.000 1.414) 1.636 13.567 ( 4.704 0.000 -5.483) 7.225 13.720 ( 1.789 0.000 0.498) 1.857 13.815 ( 1.611 0.000 -2.127) 2.668 13.949 ( 1.057 0.000 -1.212) 1.609 14.045 ( -1.890 0.000 8.173) 8.389 14.209 ( 2.321 0.000 -0.031) 2.321 14.270 ( 3.613 0.000 2.143) 4.201 14.422 ( -2.058 0.000 6.885) 7.186 14.493 ( -0.603 0.000 -2.497) 2.569 14.571 ( -0.777 0.000 7.442) 7.482 14.623 ( 0.292 0.000 5.337) 5.345 14.744 ( 1.646 0.000 -0.038) 1.646 14.751 ( 0.570 0.000 0.756) 0.947 14.831 ( -0.237 0.000 2.571) 2.582 15.079 ( -0.787 0.000 2.138) 2.278 15.149 ( -3.434 0.000 5.567) 6.541 15.178 ( -2.229 0.000 3.173) 3.878 15.261 ( 3.149 0.000 3.142) 4.448 15.379 ( -3.992 0.000 2.852) 4.906 15.475 ( 0.340 0.000 4.133) 4.147 15.576 ( -0.959 0.000 5.153) 5.241 15.756 ( 0.344 0.000 0.202) 0.399 16.229 ( -5.046 0.000 -7.654) 9.168 16.452 ( -6.604 0.000 -6.780) 9.465 16.716 ( 6.494 0.000 -14.990) 16.337 ======================= Grid point 23 (11/50) ======================= q-point: ( 0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 16.155 0.000 6.688) 17.485 1.308 ( 17.326 0.000 5.875) 18.295 1.411 ( -4.173 0.000 5.461) 6.873 1.551 ( -1.257 0.000 3.569) 3.783 1.598 ( 6.469 0.000 0.324) 6.477 1.746 ( 6.455 0.000 -0.094) 6.455 1.891 ( 2.788 0.000 -2.448) 3.710 1.989 ( 9.063 0.000 -11.960) 15.006 2.039 ( 1.968 0.000 -9.283) 9.489 2.105 ( 8.209 0.000 -8.666) 11.936 2.218 ( 3.839 0.000 -2.682) 4.683 2.271 ( 4.230 0.000 -0.953) 4.336 2.312 ( -4.631 0.000 -10.765) 11.719 2.366 ( 5.166 0.000 -2.265) 5.641 2.412 ( 5.823 0.000 -0.535) 5.848 2.417 ( -2.951 0.000 -5.233) 6.008 2.534 ( -3.053 0.000 -4.487) 5.427 2.589 ( 2.717 0.000 -2.252) 3.529 2.644 ( 0.784 0.000 2.994) 3.095 2.739 ( 1.812 0.000 1.242) 2.197 2.777 ( 0.914 0.000 1.563) 1.810 2.824 ( 0.119 0.000 -3.295) 3.297 2.905 ( -1.962 0.000 0.535) 2.034 2.940 ( 1.722 0.000 -6.002) 6.244 2.981 ( -2.189 0.000 0.849) 2.348 2.998 ( -1.883 0.000 -2.119) 2.835 3.101 ( 0.011 0.000 3.151) 3.151 3.153 ( 0.789 0.000 1.276) 1.500 3.196 ( 0.923 0.000 0.005) 0.923 3.271 ( 4.727 0.000 -9.518) 10.627 3.307 ( -0.909 0.000 -3.045) 3.178 3.330 ( 2.021 0.000 -1.568) 2.558 3.425 ( -0.346 0.000 -4.112) 4.126 3.489 ( 2.075 0.000 -0.571) 2.153 3.500 ( 5.771 0.000 -3.425) 6.710 3.526 ( 3.091 0.000 -7.777) 8.369 3.631 ( -1.323 0.000 -1.925) 2.336 3.671 ( 4.601 0.000 -6.385) 7.870 3.722 ( 1.257 0.000 3.865) 4.064 3.780 ( 1.511 0.000 -1.104) 1.872 3.836 ( -1.180 0.000 3.917) 4.091 3.938 ( 1.506 0.000 0.724) 1.671 4.014 ( 0.497 0.000 -3.464) 3.499 4.044 ( 1.420 0.000 -2.814) 3.152 4.077 ( 6.388 0.000 -0.879) 6.449 4.124 ( 0.336 0.000 6.283) 6.292 4.212 ( 2.176 0.000 -2.012) 2.964 4.240 ( 4.924 0.000 -8.936) 10.203 4.318 ( -0.360 0.000 -5.068) 5.080 4.384 ( -3.187 0.000 4.300) 5.353 4.484 ( 1.125 0.000 -1.679) 2.021 4.520 ( -3.228 0.000 3.309) 4.623 4.557 ( 4.031 0.000 -1.641) 4.352 4.643 ( -0.691 0.000 0.203) 0.720 4.654 ( -4.065 0.000 1.143) 4.223 4.678 ( -1.986 0.000 -3.320) 3.869 4.791 ( 1.639 0.000 -7.356) 7.536 4.818 ( 2.205 0.000 -2.306) 3.191 4.829 ( 0.194 0.000 1.492) 1.504 4.923 ( 1.413 0.000 0.545) 1.514 4.982 ( -1.643 0.000 0.887) 1.867 4.996 ( -1.284 0.000 2.066) 2.433 5.060 ( -1.658 0.000 5.900) 6.129 5.141 ( 1.815 0.000 4.521) 4.872 5.201 ( -1.028 0.000 -0.707) 1.248 5.303 ( 1.957 0.000 -0.595) 2.045 5.395 ( 1.090 0.000 -2.034) 2.307 5.444 ( -1.558 0.000 0.145) 1.564 5.481 ( 0.088 0.000 5.168) 5.169 5.516 ( -1.126 0.000 -2.413) 2.662 5.602 ( -3.386 0.000 1.765) 3.819 5.636 ( -0.953 0.000 2.124) 2.328 5.701 ( -0.437 0.000 0.777) 0.892 5.741 ( -3.214 0.000 3.599) 4.825 5.788 ( -2.170 0.000 2.783) 3.529 5.847 ( 1.682 0.000 -1.205) 2.069 5.944 ( -1.081 0.000 -0.320) 1.128 5.997 ( 0.821 0.000 -0.483) 0.952 6.030 ( -2.679 0.000 -2.818) 3.888 6.115 ( -1.303 0.000 -7.208) 7.325 6.140 ( -0.515 0.000 0.882) 1.021 6.190 ( -1.212 0.000 1.222) 1.721 6.224 ( -0.107 0.000 0.457) 0.470 6.274 ( 2.690 0.000 0.363) 2.715 6.289 ( -0.117 0.000 -4.705) 4.707 6.378 ( -0.271 0.000 -4.347) 4.355 6.466 ( -1.393 0.000 4.698) 4.901 6.496 ( -0.319 0.000 -0.213) 0.383 6.552 ( -1.450 0.000 -0.283) 1.477 6.576 ( 0.313 0.000 4.395) 4.406 6.640 ( -2.577 0.000 7.286) 7.729 6.691 ( -1.119 0.000 2.933) 3.139 6.777 ( -0.132 0.000 4.269) 4.271 6.800 ( 2.537 0.000 3.269) 4.138 6.834 ( 0.192 0.000 0.919) 0.938 6.883 ( -0.381 0.000 0.106) 0.396 6.936 ( 0.642 0.000 5.058) 5.098 6.943 ( 1.167 0.000 2.407) 2.675 7.012 ( 0.606 0.000 4.148) 4.192 7.056 ( 2.105 0.000 2.098) 2.972 7.064 ( 2.584 0.000 1.695) 3.090 7.104 ( 1.812 0.000 0.001) 1.812 7.171 ( 0.907 0.000 0.691) 1.140 7.248 ( 6.406 0.000 -0.809) 6.457 7.286 ( -2.836 0.000 0.440) 2.870 7.348 ( 1.261 0.000 -1.527) 1.980 7.417 ( 5.032 0.000 -0.747) 5.087 7.481 ( 3.242 0.000 -2.133) 3.881 7.536 ( -1.776 0.000 0.759) 1.932 7.538 ( 2.065 0.000 4.250) 4.725 7.643 ( -1.990 0.000 2.643) 3.308 7.690 ( 4.715 0.000 -0.288) 4.724 7.720 ( 1.935 0.000 -3.687) 4.164 7.747 ( -0.731 0.000 1.132) 1.348 7.845 ( 0.439 0.000 -2.351) 2.392 7.899 ( 2.606 0.000 -0.974) 2.782 7.921 ( -1.768 0.000 -0.610) 1.870 8.004 ( -3.315 0.000 2.470) 4.134 8.044 ( 0.780 0.000 -1.348) 1.557 8.100 ( 0.548 0.000 1.797) 1.879 8.202 ( -3.697 0.000 2.309) 4.359 8.218 ( -0.576 0.000 1.307) 1.428 8.247 ( -3.197 0.000 0.363) 3.218 8.293 ( 1.668 0.000 0.235) 1.684 8.341 ( 0.189 0.000 4.683) 4.687 8.374 ( -1.445 0.000 1.332) 1.965 8.414 ( 4.350 0.000 1.995) 4.786 8.451 ( -3.105 0.000 1.647) 3.514 8.510 ( -2.997 0.000 2.499) 3.902 8.556 ( 0.525 0.000 3.722) 3.759 8.635 ( -1.511 0.000 -0.192) 1.524 8.658 ( 0.249 0.000 5.557) 5.562 8.686 ( -3.812 0.000 0.574) 3.855 8.788 ( -1.644 0.000 3.687) 4.037 8.815 ( 0.943 0.000 4.981) 5.069 8.895 ( -3.179 0.000 8.942) 9.490 8.918 ( -1.621 0.000 5.265) 5.509 8.948 ( -0.841 0.000 -1.563) 1.775 9.007 ( -2.619 0.000 2.819) 3.848 9.023 ( -0.574 0.000 3.906) 3.948 9.110 ( -2.382 0.000 -1.509) 2.820 9.149 ( -3.034 0.000 -0.915) 3.169 9.196 ( -3.007 0.000 3.544) 4.648 9.245 ( -5.909 0.000 -2.108) 6.274 9.321 ( -3.422 0.000 1.380) 3.690 9.330 ( -4.154 0.000 1.605) 4.453 9.453 ( -1.530 0.000 0.610) 1.647 9.457 ( -1.091 0.000 -0.653) 1.272 9.599 ( 0.052 0.000 2.055) 2.056 9.689 ( 4.296 0.000 1.719) 4.627 9.725 ( 0.397 0.000 0.586) 0.708 9.840 ( -3.319 0.000 4.135) 5.302 9.858 ( 1.186 0.000 3.795) 3.976 9.874 ( 0.314 0.000 3.638) 3.651 9.981 ( -0.397 0.000 3.152) 3.177 10.027 ( -2.105 0.000 2.103) 2.975 10.083 ( 1.234 0.000 -1.799) 2.182 10.182 ( 0.677 0.000 0.372) 0.772 10.210 ( -1.035 0.000 -0.351) 1.093 10.335 ( 0.202 0.000 2.952) 2.959 10.355 ( 0.196 0.000 -0.497) 0.534 10.421 ( -4.886 0.000 -0.668) 4.931 10.476 ( -1.187 0.000 -1.870) 2.215 10.541 ( 0.888 0.000 -1.626) 1.853 10.668 ( -2.359 0.000 -1.740) 2.931 10.837 ( -5.910 0.000 -0.113) 5.911 10.971 ( -3.112 0.000 1.866) 3.629 11.034 ( -2.798 0.000 4.991) 5.722 11.325 ( -1.669 0.000 -2.653) 3.134 11.496 ( 1.109 0.000 -3.542) 3.711 11.642 ( -2.140 0.000 -3.828) 4.386 11.715 ( 1.323 0.000 -6.283) 6.421 11.852 ( 2.236 0.000 -6.412) 6.791 11.946 ( -0.579 0.000 -4.621) 4.658 12.059 ( -0.115 0.000 -10.137) 10.138 12.099 ( 0.610 0.000 -6.809) 6.836 12.148 ( 3.695 0.000 -12.295) 12.838 12.265 ( 5.131 0.000 -10.373) 11.573 12.271 ( 6.722 0.000 -10.762) 12.689 12.557 ( 0.302 0.000 -2.993) 3.008 12.583 ( 2.089 0.000 -11.080) 11.276 12.702 ( 3.917 0.000 -4.736) 6.146 12.761 ( -1.022 0.000 3.013) 3.182 12.796 ( -0.525 0.000 2.186) 2.248 12.972 ( -5.355 0.000 -2.797) 6.042 13.047 ( -1.181 0.000 -4.728) 4.873 13.075 ( 3.837 0.000 0.517) 3.872 13.298 ( -1.142 0.000 3.057) 3.264 13.319 ( 0.945 0.000 6.410) 6.480 13.402 ( 0.029 0.000 0.267) 0.269 13.520 ( -3.919 0.000 7.928) 8.844 13.605 ( 3.279 0.000 -10.830) 11.316 13.735 ( 0.449 0.000 -1.558) 1.622 13.884 ( 5.446 0.000 -4.351) 6.971 13.953 ( 0.695 0.000 -3.565) 3.632 14.053 ( -1.225 0.000 7.706) 7.803 14.243 ( 0.705 0.000 2.170) 2.282 14.317 ( 0.400 0.000 1.920) 1.961 14.403 ( -3.309 0.000 4.719) 5.763 14.474 ( -0.784 0.000 0.746) 1.082 14.586 ( -0.952 0.000 4.366) 4.469 14.646 ( -0.832 0.000 5.123) 5.190 14.761 ( 0.302 0.000 3.299) 3.313 14.791 ( 1.801 0.000 -1.081) 2.101 14.878 ( 3.261 0.000 1.872) 3.760 15.089 ( -0.001 0.000 3.669) 3.669 15.124 ( -2.439 0.000 5.537) 6.050 15.164 ( -0.390 0.000 2.113) 2.149 15.286 ( -2.024 0.000 3.019) 3.635 15.381 ( 0.589 0.000 5.665) 5.696 15.517 ( 2.021 0.000 2.977) 3.598 15.607 ( 3.069 0.000 1.911) 3.616 15.785 ( 2.797 0.000 0.075) 2.798 16.095 ( -4.883 0.000 -7.330) 8.807 16.275 ( -8.094 0.000 -6.261) 10.233 16.728 ( 3.185 0.000 -12.610) 13.006 ======================= Grid point 24 (12/50) ======================= q-point: ( 0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -4.598 0.000 -1.793) 4.935 1.347 ( -0.335 0.000 -4.837) 4.849 1.611 ( 3.988 0.000 2.383) 4.646 1.680 ( 10.358 0.000 0.610) 10.375 1.702 ( -0.755 0.000 -2.896) 2.993 1.814 ( -1.016 0.000 -6.399) 6.480 1.921 ( 5.468 0.000 -1.695) 5.724 1.974 ( 3.344 0.000 -7.260) 7.993 2.023 ( 0.306 0.000 -3.352) 3.366 2.095 ( 1.860 0.000 -10.374) 10.539 2.158 ( -11.191 0.000 1.099) 11.245 2.226 ( -0.232 0.000 -4.031) 4.037 2.368 ( 4.154 0.000 -8.772) 9.706 2.380 ( 3.591 0.000 1.935) 4.079 2.436 ( -0.230 0.000 -14.231) 14.233 2.466 ( 5.519 0.000 0.231) 5.524 2.525 ( 7.715 0.000 -2.692) 8.171 2.618 ( 0.071 0.000 2.201) 2.202 2.668 ( -1.098 0.000 1.246) 1.661 2.711 ( -3.286 0.000 2.142) 3.922 2.744 ( -1.300 0.000 -2.434) 2.759 2.859 ( -3.903 0.000 2.150) 4.456 2.906 ( 2.665 0.000 -2.715) 3.805 2.951 ( -0.828 0.000 -7.882) 7.925 2.976 ( 3.999 0.000 -3.998) 5.654 3.074 ( -3.364 0.000 3.160) 4.615 3.114 ( 6.421 0.000 12.985) 14.485 3.191 ( 4.215 0.000 2.423) 4.861 3.236 ( 0.471 0.000 4.457) 4.482 3.252 ( -1.779 0.000 -0.479) 1.842 3.337 ( 2.653 0.000 -9.517) 9.880 3.389 ( 4.493 0.000 -1.076) 4.620 3.432 ( 4.705 0.000 -2.640) 5.395 3.474 ( -1.245 0.000 1.133) 1.684 3.565 ( 2.246 0.000 -2.734) 3.538 3.577 ( 3.019 0.000 -5.946) 6.669 3.657 ( 5.135 0.000 -0.523) 5.162 3.700 ( 2.637 0.000 -2.701) 3.775 3.777 ( 1.108 0.000 0.697) 1.309 3.802 ( 0.614 0.000 0.721) 0.947 3.837 ( 1.405 0.000 -0.827) 1.630 3.926 ( -1.320 0.000 -1.017) 1.666 3.998 ( -3.282 0.000 1.180) 3.488 4.058 ( 3.378 0.000 -3.272) 4.703 4.125 ( -1.156 0.000 4.332) 4.483 4.160 ( 1.481 0.000 -4.386) 4.630 4.223 ( 0.468 0.000 -10.604) 10.614 4.276 ( 1.908 0.000 2.522) 3.163 4.310 ( 2.140 0.000 -5.634) 6.027 4.373 ( 1.166 0.000 0.181) 1.180 4.450 ( -1.790 0.000 3.454) 3.890 4.499 ( -3.535 0.000 1.887) 4.007 4.578 ( -2.520 0.000 0.248) 2.532 4.588 ( -1.316 0.000 -3.223) 3.481 4.613 ( -1.802 0.000 2.310) 2.930 4.674 ( 2.803 0.000 -2.647) 3.855 4.771 ( -0.640 0.000 -1.917) 2.021 4.819 ( -0.626 0.000 -2.466) 2.544 4.876 ( 2.811 0.000 -5.208) 5.918 4.897 ( -1.779 0.000 3.473) 3.902 4.965 ( -0.952 0.000 2.609) 2.777 4.985 ( 0.599 0.000 -1.978) 2.067 5.054 ( -2.846 0.000 8.517) 8.980 5.193 ( 1.517 0.000 -0.048) 1.518 5.203 ( 2.276 0.000 -0.499) 2.330 5.310 ( -1.491 0.000 2.751) 3.129 5.391 ( -1.140 0.000 1.821) 2.148 5.429 ( 0.411 0.000 -1.881) 1.926 5.492 ( -1.766 0.000 2.000) 2.669 5.544 ( 2.946 0.000 1.501) 3.306 5.556 ( -2.153 0.000 5.174) 5.604 5.651 ( 1.099 0.000 1.434) 1.806 5.714 ( 0.367 0.000 -1.932) 1.966 5.739 ( 1.214 0.000 0.208) 1.232 5.753 ( -1.451 0.000 3.168) 3.484 5.871 ( -1.727 0.000 0.371) 1.766 5.907 ( -0.318 0.000 -1.978) 2.003 5.954 ( -2.921 0.000 -2.467) 3.823 6.014 ( 1.525 0.000 -1.387) 2.061 6.078 ( 1.762 0.000 -7.549) 7.751 6.139 ( -1.187 0.000 -1.026) 1.569 6.150 ( -0.948 0.000 4.309) 4.412 6.245 ( 0.994 0.000 -0.467) 1.098 6.295 ( 1.930 0.000 -1.033) 2.189 6.317 ( 0.015 0.000 -0.224) 0.224 6.366 ( 0.162 0.000 -1.638) 1.646 6.446 ( -1.315 0.000 3.561) 3.796 6.490 ( 0.147 0.000 -0.789) 0.802 6.517 ( -1.573 0.000 0.464) 1.640 6.605 ( -0.861 0.000 6.989) 7.042 6.649 ( -1.028 0.000 2.980) 3.152 6.681 ( 2.746 0.000 -0.712) 2.837 6.787 ( -0.246 0.000 -0.132) 0.279 6.813 ( -2.713 0.000 2.108) 3.436 6.860 ( -1.495 0.000 0.045) 1.496 6.870 ( -0.108 0.000 2.984) 2.986 6.903 ( -2.919 0.000 0.020) 2.920 6.975 ( -3.048 0.000 1.869) 3.576 7.014 ( -1.249 0.000 1.473) 1.931 7.084 ( -1.046 0.000 2.711) 2.905 7.104 ( 0.041 0.000 4.432) 4.432 7.149 ( 3.230 0.000 2.531) 4.104 7.207 ( 1.813 0.000 0.921) 2.034 7.236 ( -0.690 0.000 -0.089) 0.696 7.313 ( 0.072 0.000 -0.775) 0.778 7.379 ( 3.916 0.000 -5.755) 6.961 7.446 ( -3.322 0.000 0.950) 3.455 7.532 ( 2.253 0.000 -4.279) 4.836 7.538 ( 2.873 0.000 3.603) 4.608 7.610 ( 1.777 0.000 3.323) 3.768 7.634 ( 0.005 0.000 0.126) 0.126 7.660 ( -0.356 0.000 0.226) 0.422 7.726 ( -1.700 0.000 -1.769) 2.454 7.799 ( 0.369 0.000 6.111) 6.122 7.825 ( 1.188 0.000 -3.144) 3.361 7.910 ( 0.209 0.000 -0.618) 0.653 7.924 ( -4.878 0.000 4.240) 6.463 7.943 ( 1.573 0.000 -2.818) 3.227 8.020 ( -1.053 0.000 -1.894) 2.167 8.111 ( 0.580 0.000 -0.663) 0.881 8.152 ( -3.008 0.000 -3.555) 4.657 8.209 ( 1.466 0.000 -0.679) 1.616 8.245 ( 2.026 0.000 1.686) 2.636 8.322 ( -1.200 0.000 1.880) 2.231 8.328 ( -0.047 0.000 1.160) 1.161 8.364 ( -1.996 0.000 3.021) 3.621 8.433 ( -1.022 0.000 4.912) 5.017 8.493 ( -0.317 0.000 2.820) 2.837 8.551 ( 3.489 0.000 4.522) 5.711 8.563 ( -2.953 0.000 5.391) 6.147 8.629 ( 2.531 0.000 -2.795) 3.771 8.671 ( 3.215 0.000 3.645) 4.861 8.697 ( -1.720 0.000 1.367) 2.197 8.751 ( -2.345 0.000 2.558) 3.470 8.847 ( -0.500 0.000 6.606) 6.625 8.868 ( -2.831 0.000 5.945) 6.585 8.897 ( -4.750 0.000 1.308) 4.927 8.920 ( -0.162 0.000 5.751) 5.753 8.989 ( -0.553 0.000 2.159) 2.228 9.044 ( -1.273 0.000 5.287) 5.439 9.066 ( -1.903 0.000 3.507) 3.990 9.108 ( 0.860 0.000 -1.337) 1.590 9.149 ( -1.215 0.000 2.221) 2.531 9.194 ( -0.127 0.000 2.974) 2.977 9.247 ( -2.106 0.000 3.279) 3.897 9.335 ( 2.669 0.000 0.115) 2.671 9.428 ( -2.169 0.000 2.066) 2.995 9.443 ( -0.909 0.000 4.717) 4.804 9.596 ( -1.766 0.000 2.904) 3.399 9.692 ( -0.967 0.000 -0.297) 1.012 9.745 ( -2.040 0.000 -1.815) 2.730 9.797 ( 0.339 0.000 3.177) 3.195 9.867 ( -0.428 0.000 -0.441) 0.615 9.952 ( 1.845 0.000 0.799) 2.011 9.977 ( -4.047 0.000 3.798) 5.550 10.014 ( 0.135 0.000 3.657) 3.659 10.119 ( 2.683 0.000 -0.472) 2.724 10.164 ( -0.987 0.000 -0.648) 1.181 10.223 ( 1.065 0.000 -0.029) 1.065 10.310 ( -3.620 0.000 1.603) 3.959 10.358 ( -0.215 0.000 -0.112) 0.243 10.371 ( 0.241 0.000 0.219) 0.326 10.489 ( 3.293 0.000 -2.970) 4.435 10.588 ( 4.445 0.000 -3.052) 5.392 10.626 ( -1.462 0.000 0.399) 1.515 10.750 ( -2.885 0.000 1.251) 3.145 10.880 ( -6.373 0.000 -0.368) 6.383 10.944 ( -7.390 0.000 -1.975) 7.649 11.281 ( -0.552 0.000 -4.278) 4.313 11.498 ( -0.385 0.000 -2.586) 2.615 11.595 ( 0.554 0.000 -3.882) 3.921 11.688 ( 0.614 0.000 -6.264) 6.295 11.831 ( 0.614 0.000 -7.935) 7.958 11.923 ( 0.696 0.000 -5.954) 5.995 12.068 ( 4.492 0.000 -5.818) 7.350 12.105 ( 2.564 0.000 -2.879) 3.855 12.177 ( 5.963 0.000 -14.753) 15.913 12.320 ( 4.831 0.000 -7.464) 8.891 12.374 ( 8.881 0.000 -10.136) 13.476 12.553 ( 1.625 0.000 -12.389) 12.495 12.571 ( 3.746 0.000 -4.385) 5.767 12.728 ( -3.965 0.000 4.116) 5.715 12.752 ( 3.445 0.000 -4.651) 5.788 12.795 ( -0.324 0.000 4.567) 4.578 12.872 ( -4.369 0.000 2.327) 4.950 13.000 ( -0.686 0.000 -3.645) 3.708 13.138 ( 2.360 0.000 -1.565) 2.832 13.298 ( -0.808 0.000 4.980) 5.045 13.366 ( -0.269 0.000 6.835) 6.841 13.398 ( -1.144 0.000 0.028) 1.144 13.485 ( -3.613 0.000 4.466) 5.744 13.559 ( -1.861 0.000 -9.086) 9.274 13.748 ( 2.222 0.000 -4.033) 4.604 13.932 ( -1.098 0.000 2.949) 3.147 13.950 ( 3.519 0.000 -9.839) 10.450 14.072 ( -0.805 0.000 6.512) 6.562 14.261 ( -0.435 0.000 2.173) 2.216 14.306 ( -1.932 0.000 0.035) 1.932 14.367 ( -0.866 0.000 1.026) 1.343 14.471 ( -0.668 0.000 2.812) 2.890 14.588 ( -0.733 0.000 3.833) 3.903 14.650 ( -1.114 0.000 4.306) 4.448 14.775 ( -0.364 0.000 2.074) 2.106 14.812 ( 0.919 0.000 0.100) 0.925 14.928 ( 0.481 0.000 1.543) 1.616 15.088 ( -2.710 0.000 3.061) 4.089 15.120 ( -0.339 0.000 6.002) 6.012 15.185 ( 0.709 0.000 3.015) 3.097 15.264 ( -1.662 0.000 3.042) 3.466 15.400 ( -1.404 0.000 6.950) 7.090 15.556 ( 0.285 0.000 2.110) 2.129 15.714 ( 5.257 0.000 0.021) 5.257 15.816 ( -0.063 0.000 -4.247) 4.248 16.029 ( 3.329 0.000 -2.961) 4.455 16.099 ( -6.728 0.000 -4.370) 8.023 16.727 ( 3.121 0.000 -10.862) 11.301 ======================= Grid point 25 (13/50) ======================= q-point: (-0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -4.440 0.000 -6.440) 7.822 1.217 ( -9.166 0.000 -14.552) 17.198 1.486 ( -9.340 0.000 2.260) 9.609 1.575 ( -6.738 0.000 -0.583) 6.763 1.641 ( -12.817 0.000 -3.327) 13.242 1.798 ( -0.663 0.000 -4.459) 4.508 1.916 ( -5.677 0.000 -10.054) 11.546 1.969 ( -1.351 0.000 -10.817) 10.901 1.999 ( -0.319 0.000 -2.622) 2.642 2.113 ( 4.517 0.000 -0.313) 4.528 2.193 ( 2.572 0.000 -3.713) 4.517 2.256 ( 10.666 0.000 -1.174) 10.731 2.370 ( 3.177 0.000 -11.310) 11.747 2.409 ( 2.945 0.000 -3.541) 4.606 2.435 ( -3.532 0.000 1.012) 3.674 2.531 ( 1.210 0.000 -0.577) 1.341 2.588 ( -0.035 0.000 -1.946) 1.946 2.639 ( -0.211 0.000 -0.831) 0.857 2.663 ( 4.900 0.000 -3.459) 5.998 2.698 ( 0.584 0.000 1.990) 2.073 2.783 ( -2.979 0.000 1.135) 3.188 2.817 ( 3.437 0.000 -0.242) 3.446 2.858 ( -4.435 0.000 -1.117) 4.573 2.942 ( 1.131 0.000 -4.138) 4.290 2.998 ( -0.324 0.000 4.323) 4.335 3.036 ( 2.591 0.000 1.118) 2.822 3.148 ( -5.285 0.000 -1.280) 5.438 3.203 ( -2.275 0.000 0.705) 2.382 3.244 ( -1.144 0.000 5.200) 5.324 3.261 ( 0.930 0.000 1.281) 1.583 3.333 ( 3.876 0.000 -12.140) 12.744 3.469 ( 1.349 0.000 2.263) 2.635 3.486 ( -1.031 0.000 2.933) 3.109 3.523 ( 3.010 0.000 0.696) 3.089 3.580 ( 1.126 0.000 2.047) 2.336 3.614 ( 3.415 0.000 0.060) 3.416 3.712 ( -0.409 0.000 1.284) 1.348 3.723 ( -0.763 0.000 -0.005) 0.763 3.753 ( 1.612 0.000 -3.031) 3.433 3.834 ( 2.113 0.000 -2.275) 3.104 3.878 ( 1.351 0.000 0.401) 1.409 3.936 ( 4.472 0.000 -4.882) 6.620 3.981 ( 0.429 0.000 1.317) 1.385 4.088 ( -4.049 0.000 2.561) 4.791 4.091 ( 2.026 0.000 -0.060) 2.027 4.162 ( -2.657 0.000 -8.801) 9.194 4.186 ( 0.869 0.000 -0.537) 1.021 4.283 ( -1.899 0.000 -4.026) 4.452 4.316 ( 0.190 0.000 3.522) 3.527 4.383 ( -1.175 0.000 -1.439) 1.858 4.441 ( -2.432 0.000 2.254) 3.316 4.493 ( 2.108 0.000 -6.863) 7.179 4.524 ( 1.558 0.000 -0.292) 1.585 4.552 ( 0.776 0.000 -0.467) 0.906 4.607 ( -1.510 0.000 2.538) 2.953 4.680 ( 0.466 0.000 -3.218) 3.251 4.748 ( -0.401 0.000 -3.948) 3.968 4.796 ( -1.474 0.000 -1.808) 2.332 4.890 ( 0.134 0.000 -2.590) 2.594 4.917 ( 1.206 0.000 4.771) 4.922 4.979 ( 2.555 0.000 1.012) 2.749 5.000 ( 0.833 0.000 1.376) 1.609 5.071 ( -0.387 0.000 10.277) 10.284 5.205 ( -3.199 0.000 4.789) 5.759 5.212 ( 2.677 0.000 -7.470) 7.935 5.302 ( -1.718 0.000 2.254) 2.834 5.385 ( 0.144 0.000 2.219) 2.224 5.427 ( 0.221 0.000 -2.307) 2.317 5.463 ( -1.561 0.000 1.666) 2.283 5.535 ( -1.854 0.000 -0.732) 1.994 5.603 ( 1.396 0.000 8.607) 8.719 5.676 ( -0.948 0.000 0.614) 1.129 5.704 ( 1.611 0.000 -2.544) 3.011 5.730 ( 0.186 0.000 1.452) 1.464 5.782 ( -1.528 0.000 3.275) 3.614 5.799 ( -1.660 0.000 -0.290) 1.685 5.917 ( 0.280 0.000 -2.437) 2.453 5.936 ( 3.432 0.000 -4.478) 5.642 6.020 ( 0.985 0.000 -5.686) 5.771 6.077 ( -0.473 0.000 -1.655) 1.721 6.141 ( 1.055 0.000 1.579) 1.899 6.191 ( 1.724 0.000 2.198) 2.794 6.228 ( -0.516 0.000 -0.424) 0.668 6.308 ( 1.461 0.000 1.231) 1.910 6.348 ( 2.627 0.000 -1.372) 2.964 6.388 ( 2.846 0.000 0.027) 2.846 6.450 ( -0.293 0.000 0.215) 0.363 6.467 ( -2.790 0.000 1.944) 3.400 6.504 ( -0.944 0.000 2.943) 3.091 6.611 ( -2.537 0.000 6.680) 7.146 6.651 ( 0.581 0.000 -0.600) 0.835 6.722 ( -1.765 0.000 -1.754) 2.488 6.731 ( -1.815 0.000 -4.130) 4.512 6.754 ( -2.561 0.000 -1.151) 2.807 6.802 ( -4.610 0.000 3.260) 5.646 6.854 ( 0.610 0.000 0.572) 0.836 6.871 ( -0.982 0.000 0.164) 0.996 6.935 ( -2.481 0.000 2.734) 3.692 6.991 ( -1.265 0.000 0.770) 1.481 7.093 ( -3.950 0.000 4.772) 6.194 7.104 ( -0.251 0.000 1.721) 1.740 7.158 ( -0.477 0.000 1.051) 1.155 7.207 ( -4.712 0.000 -0.268) 4.720 7.257 ( 2.918 0.000 -3.847) 4.829 7.282 ( -0.757 0.000 -1.690) 1.852 7.354 ( -5.191 0.000 1.148) 5.316 7.428 ( 1.739 0.000 -3.065) 3.524 7.525 ( -0.319 0.000 -3.100) 3.116 7.568 ( -1.001 0.000 2.672) 2.853 7.626 ( -1.206 0.000 -0.283) 1.239 7.657 ( -3.225 0.000 1.735) 3.662 7.681 ( 1.495 0.000 1.683) 2.251 7.703 ( 3.808 0.000 -0.564) 3.850 7.820 ( -1.015 0.000 2.719) 2.903 7.825 ( -0.997 0.000 -1.797) 2.055 7.885 ( -2.833 0.000 3.394) 4.421 7.906 ( 0.972 0.000 4.236) 4.346 7.972 ( 4.630 0.000 -3.114) 5.580 8.034 ( 2.594 0.000 -0.075) 2.595 8.083 ( -1.453 0.000 -1.040) 1.787 8.130 ( 1.684 0.000 -3.738) 4.100 8.239 ( 0.724 0.000 2.051) 2.175 8.279 ( -2.702 0.000 0.419) 2.734 8.298 ( -0.508 0.000 3.003) 3.045 8.332 ( -0.894 0.000 2.480) 2.636 8.354 ( 1.047 0.000 1.540) 1.862 8.411 ( -3.227 0.000 2.466) 4.062 8.461 ( -4.255 0.000 0.763) 4.323 8.525 ( 0.354 0.000 2.598) 2.622 8.578 ( -3.070 0.000 -1.062) 3.248 8.668 ( -0.847 0.000 9.267) 9.305 8.682 ( 0.157 0.000 -1.359) 1.368 8.734 ( -0.779 0.000 6.963) 7.007 8.775 ( 1.082 0.000 0.908) 1.412 8.795 ( 0.209 0.000 0.873) 0.897 8.849 ( -4.919 0.000 8.750) 10.038 8.893 ( 0.421 0.000 3.491) 3.516 8.953 ( 2.473 0.000 6.941) 7.368 9.021 ( -0.615 0.000 7.737) 7.762 9.042 ( 2.240 0.000 1.065) 2.480 9.072 ( 0.616 0.000 3.338) 3.395 9.195 ( 4.365 0.000 3.601) 5.659 9.228 ( 4.887 0.000 3.269) 5.879 9.239 ( 6.294 0.000 4.758) 7.890 9.282 ( 2.559 0.000 5.386) 5.964 9.386 ( -3.555 0.000 3.847) 5.238 9.399 ( 3.090 0.000 0.932) 3.228 9.474 ( 1.199 0.000 5.278) 5.412 9.586 ( -0.016 0.000 2.201) 2.201 9.672 ( -1.413 0.000 -2.559) 2.923 9.697 ( -1.497 0.000 0.097) 1.500 9.787 ( -3.053 0.000 0.142) 3.056 9.849 ( -0.199 0.000 -1.642) 1.654 9.873 ( -4.706 0.000 -0.467) 4.729 9.954 ( -3.910 0.000 2.730) 4.769 10.038 ( 0.456 0.000 3.806) 3.834 10.149 ( 0.759 0.000 -0.814) 1.113 10.172 ( -0.750 0.000 1.375) 1.566 10.192 ( -0.589 0.000 -1.453) 1.567 10.299 ( -0.618 0.000 0.931) 1.117 10.356 ( 0.909 0.000 -0.870) 1.258 10.399 ( 2.652 0.000 1.678) 3.138 10.539 ( 0.912 0.000 -1.184) 1.494 10.582 ( -2.085 0.000 -0.921) 2.279 10.651 ( 2.981 0.000 -2.055) 3.620 10.733 ( -1.238 0.000 -0.701) 1.423 10.782 ( -1.902 0.000 -5.037) 5.384 10.795 ( -1.947 0.000 -3.192) 3.739 11.271 ( 2.001 0.000 -4.971) 5.358 11.468 ( -0.164 0.000 -4.119) 4.122 11.598 ( 1.204 0.000 -4.066) 4.240 11.703 ( 3.856 0.000 -6.513) 7.569 11.825 ( 3.072 0.000 -8.216) 8.772 11.911 ( 0.980 0.000 -4.052) 4.169 12.120 ( 3.412 0.000 -5.389) 6.378 12.168 ( 4.492 0.000 -3.320) 5.586 12.200 ( 2.560 0.000 -9.295) 9.641 12.366 ( 3.452 0.000 -4.384) 5.580 12.482 ( 6.487 0.000 -8.561) 10.741 12.534 ( 4.520 0.000 -16.683) 17.285 12.637 ( 3.133 0.000 -7.234) 7.883 12.684 ( 0.194 0.000 4.476) 4.480 12.798 ( -1.604 0.000 4.329) 4.617 12.818 ( 2.167 0.000 1.332) 2.543 12.846 ( 1.218 0.000 2.475) 2.759 12.987 ( 1.725 0.000 -4.531) 4.848 13.152 ( -0.418 0.000 -0.075) 0.425 13.316 ( -0.026 0.000 5.687) 5.687 13.327 ( -5.701 0.000 0.831) 5.762 13.374 ( -2.248 0.000 -5.668) 6.098 13.417 ( -0.735 0.000 0.864) 1.135 13.515 ( -2.266 0.000 5.105) 5.585 13.747 ( -0.081 0.000 -6.100) 6.100 13.923 ( -1.061 0.000 2.976) 3.159 13.946 ( 0.812 0.000 -8.814) 8.851 14.081 ( -1.634 0.000 5.674) 5.905 14.222 ( -2.019 0.000 -2.579) 3.275 14.303 ( 0.533 0.000 0.034) 0.535 14.370 ( 0.004 0.000 1.505) 1.505 14.470 ( -0.977 0.000 2.648) 2.822 14.598 ( -0.354 0.000 3.860) 3.876 14.648 ( -1.150 0.000 3.327) 3.520 14.764 ( -1.565 0.000 -0.007) 1.565 14.835 ( 0.917 0.000 2.642) 2.796 14.913 ( -2.685 0.000 1.754) 3.207 15.048 ( -2.155 0.000 2.058) 2.980 15.147 ( -0.370 0.000 6.159) 6.170 15.202 ( -0.977 0.000 3.536) 3.669 15.252 ( -1.362 0.000 3.205) 3.482 15.410 ( -1.350 0.000 6.559) 6.696 15.552 ( -2.108 0.000 1.517) 2.597 15.663 ( -5.553 0.000 -2.059) 5.923 15.819 ( -1.550 0.000 -2.800) 3.200 16.048 ( 4.879 0.000 -2.385) 5.431 16.159 ( 9.408 0.000 -1.904) 9.599 16.740 ( 3.975 0.000 -10.372) 11.108 ======================= Grid point 26 (14/50) ======================= q-point: (-0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( -19.671 0.000 -11.919) 23.000 1.015 ( -15.579 0.000 0.497) 15.587 1.374 ( -4.023 0.000 -0.281) 4.033 1.421 ( -2.396 0.000 6.489) 6.917 1.494 ( -4.068 0.000 -5.134) 6.550 1.678 ( -8.211 0.000 -3.389) 8.883 1.775 ( -5.296 0.000 -9.614) 10.976 1.858 ( -11.826 0.000 -3.628) 12.370 1.941 ( 0.139 0.000 -8.769) 8.770 2.065 ( -2.584 0.000 -9.626) 9.967 2.154 ( 1.615 0.000 -11.246) 11.361 2.246 ( -7.163 0.000 -2.962) 7.751 2.376 ( 1.525 0.000 -6.675) 6.847 2.386 ( -4.746 0.000 -7.196) 8.620 2.469 ( 3.345 0.000 0.582) 3.395 2.574 ( 5.575 0.000 2.160) 5.979 2.598 ( -1.161 0.000 -2.573) 2.822 2.644 ( 1.337 0.000 -5.190) 5.360 2.700 ( 1.671 0.000 -0.856) 1.878 2.712 ( 4.724 0.000 -0.061) 4.724 2.781 ( 4.822 0.000 -4.600) 6.664 2.822 ( 0.757 0.000 4.181) 4.249 2.923 ( 1.053 0.000 -6.709) 6.792 2.933 ( 4.049 0.000 0.392) 4.068 3.034 ( -2.060 0.000 -0.367) 2.093 3.068 ( 0.470 0.000 1.481) 1.553 3.086 ( 0.798 0.000 4.754) 4.820 3.188 ( -2.137 0.000 1.020) 2.368 3.244 ( 0.626 0.000 0.817) 1.029 3.305 ( 2.196 0.000 -0.571) 2.269 3.342 ( 2.387 0.000 -7.828) 8.184 3.399 ( -4.596 0.000 -1.839) 4.950 3.464 ( -1.850 0.000 2.628) 3.214 3.496 ( -5.815 0.000 -2.060) 6.169 3.571 ( -7.476 0.000 -0.375) 7.485 3.615 ( -3.961 0.000 2.643) 4.762 3.711 ( 1.440 0.000 -0.692) 1.598 3.769 ( 5.826 0.000 2.364) 6.287 3.791 ( 1.919 0.000 -1.317) 2.327 3.842 ( -2.382 0.000 -3.656) 4.364 3.879 ( -2.525 0.000 5.943) 6.457 3.951 ( -2.634 0.000 0.268) 2.648 3.975 ( -3.694 0.000 -2.363) 4.385 4.045 ( 4.193 0.000 -2.016) 4.653 4.102 ( -0.153 0.000 -1.570) 1.577 4.146 ( 1.862 0.000 2.243) 2.915 4.197 ( 2.518 0.000 -3.298) 4.149 4.227 ( -4.091 0.000 5.126) 6.558 4.303 ( -1.316 0.000 0.747) 1.513 4.331 ( -1.393 0.000 -4.056) 4.289 4.398 ( -0.336 0.000 -5.042) 5.053 4.458 ( -1.948 0.000 -5.399) 5.740 4.557 ( 1.457 0.000 -1.706) 2.244 4.567 ( 2.078 0.000 -8.094) 8.357 4.662 ( 0.652 0.000 1.156) 1.327 4.700 ( 3.790 0.000 -1.475) 4.067 4.709 ( -0.585 0.000 -0.264) 0.642 4.772 ( 0.006 0.000 1.599) 1.599 4.859 ( -2.105 0.000 -0.728) 2.227 4.931 ( 0.626 0.000 -0.291) 0.690 4.991 ( -2.214 0.000 2.948) 3.687 5.051 ( -0.524 0.000 4.498) 4.528 5.109 ( -0.760 0.000 7.361) 7.400 5.187 ( -1.135 0.000 3.719) 3.888 5.238 ( -3.622 0.000 2.010) 4.143 5.240 ( 2.513 0.000 -2.700) 3.688 5.376 ( -2.527 0.000 -1.214) 2.804 5.434 ( 2.367 0.000 -0.648) 2.455 5.490 ( 3.510 0.000 -1.721) 3.910 5.521 ( 1.362 0.000 -1.239) 1.841 5.638 ( -1.667 0.000 2.984) 3.419 5.654 ( -1.463 0.000 4.605) 4.831 5.728 ( -1.388 0.000 1.793) 2.267 5.745 ( 1.635 0.000 -1.667) 2.335 5.798 ( 4.282 0.000 3.110) 5.292 5.834 ( 2.066 0.000 2.553) 3.284 5.922 ( 1.626 0.000 -2.376) 2.879 5.966 ( 2.986 0.000 -5.844) 6.563 6.010 ( 0.702 0.000 -3.015) 3.096 6.065 ( 0.004 0.000 0.440) 0.440 6.127 ( -0.099 0.000 -1.634) 1.637 6.198 ( 0.056 0.000 -0.593) 0.596 6.304 ( -1.154 0.000 4.042) 4.203 6.315 ( 1.327 0.000 -0.181) 1.339 6.397 ( 3.545 0.000 -3.348) 4.876 6.419 ( 0.190 0.000 -1.568) 1.579 6.450 ( 2.223 0.000 3.690) 4.308 6.471 ( -0.950 0.000 2.153) 2.353 6.493 ( 0.010 0.000 2.174) 2.174 6.594 ( -0.603 0.000 1.993) 2.082 6.626 ( -2.354 0.000 -1.967) 3.068 6.666 ( -0.987 0.000 5.406) 5.496 6.684 ( -2.060 0.000 -1.800) 2.736 6.746 ( 0.848 0.000 1.284) 1.539 6.785 ( 0.001 0.000 3.341) 3.341 6.843 ( -0.959 0.000 -1.209) 1.543 6.875 ( 1.032 0.000 -1.686) 1.977 6.893 ( -2.631 0.000 4.212) 4.967 6.962 ( -3.623 0.000 0.323) 3.637 7.016 ( -4.928 0.000 2.027) 5.328 7.048 ( -7.112 0.000 -2.918) 7.687 7.101 ( -2.422 0.000 1.429) 2.812 7.172 ( -0.032 0.000 -0.929) 0.929 7.201 ( -4.260 0.000 -0.450) 4.284 7.260 ( -1.909 0.000 -1.526) 2.444 7.327 ( 0.762 0.000 -2.722) 2.827 7.419 ( -1.784 0.000 -0.129) 1.789 7.463 ( -3.182 0.000 -1.128) 3.376 7.539 ( -3.125 0.000 0.224) 3.133 7.564 ( -6.016 0.000 0.921) 6.086 7.646 ( 1.437 0.000 2.378) 2.778 7.661 ( -4.594 0.000 0.936) 4.689 7.715 ( -6.044 0.000 -1.239) 6.170 7.778 ( 0.078 0.000 -2.095) 2.096 7.822 ( 2.680 0.000 0.590) 2.744 7.898 ( 3.150 0.000 3.070) 4.399 7.986 ( 1.511 0.000 3.728) 4.023 8.023 ( 1.297 0.000 -2.063) 2.436 8.063 ( 0.982 0.000 0.466) 1.087 8.114 ( 2.099 0.000 2.825) 3.520 8.152 ( 1.015 0.000 -3.578) 3.719 8.204 ( -1.783 0.000 2.321) 2.927 8.252 ( -2.690 0.000 3.819) 4.671 8.290 ( -1.307 0.000 1.633) 2.092 8.315 ( 0.371 0.000 -1.659) 1.700 8.383 ( 2.597 0.000 2.787) 3.810 8.398 ( -2.074 0.000 1.939) 2.839 8.427 ( 2.161 0.000 2.620) 3.396 8.530 ( -0.804 0.000 1.778) 1.951 8.580 ( 3.230 0.000 3.216) 4.558 8.651 ( -2.401 0.000 -0.158) 2.406 8.672 ( -2.225 0.000 7.702) 8.017 8.716 ( -2.511 0.000 3.948) 4.679 8.788 ( -3.104 0.000 8.819) 9.349 8.829 ( -1.501 0.000 1.108) 1.865 8.845 ( 3.284 0.000 3.535) 4.825 8.926 ( 1.455 0.000 2.562) 2.946 9.005 ( 0.404 0.000 8.287) 8.297 9.078 ( 0.020 0.000 6.267) 6.267 9.117 ( 4.385 0.000 -0.735) 4.446 9.134 ( 3.961 0.000 6.674) 7.761 9.232 ( -1.111 0.000 1.705) 2.034 9.312 ( -1.537 0.000 5.616) 5.822 9.335 ( 0.156 0.000 0.606) 0.625 9.384 ( 3.808 0.000 2.140) 4.368 9.422 ( 4.457 0.000 9.285) 10.299 9.457 ( 2.070 0.000 0.869) 2.245 9.525 ( 2.120 0.000 3.028) 3.696 9.601 ( -1.546 0.000 -0.274) 1.570 9.623 ( -0.746 0.000 1.750) 1.902 9.674 ( -1.558 0.000 0.283) 1.584 9.733 ( -0.779 0.000 2.919) 3.021 9.830 ( 0.518 0.000 0.147) 0.538 9.872 ( 1.583 0.000 2.770) 3.190 9.891 ( -1.701 0.000 1.866) 2.525 10.016 ( -2.542 0.000 -0.068) 2.542 10.127 ( -1.244 0.000 -0.661) 1.409 10.199 ( -0.377 0.000 1.423) 1.472 10.213 ( 2.811 0.000 1.960) 3.427 10.278 ( 1.208 0.000 -0.269) 1.238 10.405 ( 4.177 0.000 1.843) 4.565 10.439 ( -0.143 0.000 0.078) 0.163 10.523 ( 1.603 0.000 0.550) 1.695 10.566 ( -1.295 0.000 0.718) 1.481 10.663 ( 3.936 0.000 -8.378) 9.257 10.752 ( 3.184 0.000 0.470) 3.219 10.793 ( 3.557 0.000 -5.120) 6.234 10.817 ( 4.059 0.000 -1.221) 4.239 11.301 ( 3.399 0.000 -4.882) 5.949 11.454 ( 0.790 0.000 -4.726) 4.792 11.612 ( 2.947 0.000 -4.857) 5.681 11.733 ( 2.041 0.000 -6.055) 6.390 11.839 ( 1.307 0.000 -6.214) 6.350 11.938 ( 4.017 0.000 -3.903) 5.601 12.146 ( 4.207 0.000 -11.351) 12.105 12.174 ( -0.708 0.000 -6.079) 6.120 12.203 ( 0.168 0.000 -3.488) 3.492 12.368 ( -2.233 0.000 -7.559) 7.882 12.503 ( 0.526 0.000 0.001) 0.526 12.572 ( 6.683 0.000 -17.208) 18.460 12.637 ( 0.822 0.000 -4.198) 4.278 12.719 ( 0.471 0.000 -7.472) 7.487 12.776 ( -0.703 0.000 1.410) 1.576 12.816 ( -3.299 0.000 8.313) 8.944 12.934 ( 4.521 0.000 -1.196) 4.676 13.027 ( 0.520 0.000 0.538) 0.749 13.125 ( 5.235 0.000 -15.103) 15.985 13.232 ( -3.427 0.000 3.041) 4.581 13.316 ( -1.893 0.000 -1.043) 2.161 13.350 ( 0.284 0.000 4.918) 4.926 13.453 ( 2.761 0.000 5.449) 6.109 13.502 ( -1.573 0.000 4.988) 5.230 13.690 ( -2.820 0.000 -4.168) 5.032 13.891 ( -1.141 0.000 -5.611) 5.726 13.935 ( 0.570 0.000 0.489) 0.751 14.068 ( -2.620 0.000 5.665) 6.241 14.188 ( 0.198 0.000 -3.870) 3.875 14.285 ( -2.340 0.000 -2.536) 3.451 14.376 ( -0.361 0.000 2.188) 2.218 14.459 ( -1.403 0.000 2.259) 2.660 14.604 ( -1.294 0.000 2.309) 2.647 14.636 ( -1.592 0.000 3.124) 3.507 14.721 ( -1.538 0.000 -2.628) 3.045 14.852 ( -2.892 0.000 2.757) 3.996 14.895 ( 1.502 0.000 7.758) 7.902 15.043 ( 0.474 0.000 2.454) 2.499 15.157 ( -2.084 0.000 5.263) 5.660 15.189 ( -1.409 0.000 2.728) 3.070 15.245 ( -1.258 0.000 4.113) 4.301 15.381 ( -5.008 0.000 2.515) 5.604 15.491 ( -3.461 0.000 2.160) 4.079 15.595 ( -2.027 0.000 2.256) 3.033 15.764 ( -1.812 0.000 0.596) 1.907 16.172 ( 7.932 0.000 -3.977) 8.873 16.331 ( 9.399 0.000 -3.316) 9.967 16.770 ( 4.583 0.000 -11.201) 12.103 ======================= Grid point 27 (15/50) ======================= q-point: (-0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( -13.419 0.000 11.123) 17.429 0.656 ( -21.041 0.000 14.855) 25.756 1.101 ( -33.697 0.000 22.719) 40.640 1.432 ( 5.084 0.000 -0.550) 5.114 1.484 ( 5.386 0.000 -0.806) 5.446 1.611 ( 2.917 0.000 -5.428) 6.162 1.639 ( -0.604 0.000 -5.322) 5.356 1.745 ( 2.608 0.000 -16.433) 16.639 1.876 ( -1.811 0.000 -11.493) 11.635 2.024 ( -0.647 0.000 -6.294) 6.327 2.082 ( -4.949 0.000 -6.525) 8.190 2.098 ( -1.478 0.000 -15.358) 15.429 2.296 ( -1.448 0.000 -5.053) 5.257 2.375 ( 2.325 0.000 -7.464) 7.818 2.500 ( 1.234 0.000 -2.645) 2.919 2.567 ( -2.186 0.000 -1.893) 2.891 2.612 ( 0.241 0.000 -8.544) 8.547 2.643 ( 3.016 0.000 -4.363) 5.304 2.679 ( -2.345 0.000 -3.224) 3.987 2.794 ( 4.863 0.000 -6.055) 7.766 2.843 ( -0.034 0.000 -3.313) 3.313 2.855 ( 1.336 0.000 -2.491) 2.827 2.906 ( 0.036 0.000 -4.141) 4.141 2.976 ( -2.647 0.000 1.452) 3.019 3.024 ( 4.513 0.000 1.704) 4.824 3.065 ( -2.009 0.000 3.342) 3.899 3.136 ( 1.557 0.000 2.100) 2.615 3.177 ( -0.072 0.000 3.145) 3.146 3.204 ( -4.115 0.000 1.887) 4.527 3.289 ( -5.555 0.000 -1.578) 5.774 3.313 ( -0.200 0.000 -7.927) 7.929 3.318 ( -5.274 0.000 -0.170) 5.277 3.392 ( 1.081 0.000 -0.779) 1.333 3.413 ( -5.705 0.000 -1.032) 5.797 3.452 ( -1.983 0.000 0.282) 2.003 3.556 ( -3.456 0.000 2.976) 4.561 3.686 ( -5.313 0.000 -4.839) 7.186 3.713 ( -4.572 0.000 -6.527) 7.969 3.741 ( -4.675 0.000 1.742) 4.989 3.831 ( -0.750 0.000 -2.502) 2.612 3.901 ( 2.013 0.000 4.236) 4.690 3.915 ( -2.075 0.000 -0.431) 2.120 3.946 ( 2.824 0.000 0.619) 2.891 4.050 ( -2.955 0.000 -4.089) 5.045 4.112 ( -4.348 0.000 1.360) 4.556 4.134 ( -2.223 0.000 4.579) 5.090 4.200 ( 0.998 0.000 -1.687) 1.960 4.234 ( 1.419 0.000 -9.098) 9.208 4.302 ( 1.868 0.000 -5.918) 6.205 4.313 ( 2.905 0.000 1.669) 3.350 4.400 ( 2.649 0.000 -6.729) 7.232 4.416 ( 1.228 0.000 -3.272) 3.494 4.510 ( -1.228 0.000 -2.656) 2.926 4.596 ( 1.785 0.000 -3.407) 3.846 4.679 ( 1.858 0.000 -2.872) 3.421 4.697 ( -0.992 0.000 0.979) 1.394 4.739 ( -1.124 0.000 3.350) 3.534 4.789 ( 0.378 0.000 4.361) 4.377 4.823 ( -2.195 0.000 1.941) 2.930 4.933 ( -1.839 0.000 -0.931) 2.061 4.989 ( 0.717 0.000 1.913) 2.043 5.018 ( -2.889 0.000 3.470) 4.515 5.118 ( -2.577 0.000 6.477) 6.971 5.152 ( -3.251 0.000 6.733) 7.477 5.202 ( -2.016 0.000 0.531) 2.085 5.285 ( 0.223 0.000 0.767) 0.799 5.331 ( 0.229 0.000 -1.331) 1.351 5.466 ( -1.633 0.000 -2.550) 3.028 5.509 ( 2.481 0.000 2.426) 3.470 5.558 ( -0.855 0.000 5.060) 5.132 5.619 ( 0.435 0.000 -3.093) 3.124 5.678 ( -0.360 0.000 -0.737) 0.820 5.708 ( 2.030 0.000 1.287) 2.403 5.738 ( -1.454 0.000 -0.435) 1.517 5.800 ( -2.108 0.000 -2.354) 3.160 5.941 ( 4.052 0.000 2.062) 4.547 5.951 ( 3.388 0.000 -3.211) 4.668 6.006 ( 2.965 0.000 -3.545) 4.621 6.054 ( 4.701 0.000 3.361) 5.779 6.111 ( 2.604 0.000 0.816) 2.729 6.160 ( 2.873 0.000 -0.758) 2.972 6.190 ( 1.820 0.000 -0.801) 1.989 6.229 ( -3.939 0.000 -1.596) 4.250 6.304 ( -1.964 0.000 1.112) 2.257 6.377 ( -4.333 0.000 -1.508) 4.588 6.421 ( -3.599 0.000 -1.637) 3.954 6.486 ( 3.727 0.000 0.780) 3.807 6.514 ( 0.319 0.000 1.282) 1.322 6.527 ( 1.734 0.000 5.397) 5.669 6.588 ( -1.429 0.000 -1.082) 1.792 6.610 ( 0.493 0.000 0.736) 0.886 6.660 ( 1.227 0.000 0.941) 1.547 6.696 ( -0.330 0.000 0.634) 0.715 6.759 ( -0.550 0.000 -2.576) 2.634 6.791 ( 0.465 0.000 -1.030) 1.130 6.828 ( -2.936 0.000 -2.662) 3.963 6.856 ( -4.005 0.000 3.505) 5.322 6.862 ( 0.230 0.000 7.759) 7.762 6.944 ( -0.684 0.000 4.769) 4.818 6.962 ( 3.141 0.000 4.878) 5.801 6.969 ( 0.173 0.000 0.278) 0.327 7.056 ( -2.810 0.000 0.175) 2.816 7.113 ( -3.880 0.000 1.482) 4.153 7.154 ( -1.806 0.000 0.318) 1.833 7.250 ( -4.033 0.000 -3.008) 5.032 7.260 ( 2.447 0.000 -3.001) 3.872 7.370 ( -3.883 0.000 1.911) 4.327 7.426 ( -4.564 0.000 -1.128) 4.702 7.467 ( -2.019 0.000 -0.899) 2.210 7.479 ( -3.098 0.000 4.798) 5.711 7.533 ( -5.615 0.000 3.692) 6.720 7.622 ( -1.777 0.000 -0.929) 2.005 7.704 ( 1.431 0.000 0.572) 1.541 7.773 ( -0.077 0.000 -1.277) 1.279 7.865 ( 2.442 0.000 -3.946) 4.641 7.953 ( -0.723 0.000 4.961) 5.013 7.980 ( -2.693 0.000 0.910) 2.842 8.003 ( -3.690 0.000 0.499) 3.724 8.079 ( -3.563 0.000 6.797) 7.675 8.097 ( 1.347 0.000 1.303) 1.874 8.161 ( 2.905 0.000 -1.682) 3.357 8.214 ( 0.137 0.000 -0.629) 0.644 8.257 ( 2.454 0.000 2.248) 3.328 8.299 ( 1.155 0.000 -2.059) 2.361 8.372 ( 1.740 0.000 0.033) 1.740 8.398 ( 2.349 0.000 2.182) 3.206 8.429 ( 0.893 0.000 4.756) 4.839 8.530 ( 1.725 0.000 3.950) 4.311 8.537 ( 3.800 0.000 0.741) 3.871 8.599 ( -3.393 0.000 3.226) 4.681 8.650 ( 0.698 0.000 3.409) 3.480 8.678 ( 1.371 0.000 2.038) 2.456 8.718 ( -0.162 0.000 3.978) 3.981 8.774 ( -0.905 0.000 5.327) 5.403 8.818 ( -0.301 0.000 2.461) 2.479 8.878 ( -1.978 0.000 4.935) 5.317 8.971 ( 0.317 0.000 1.160) 1.202 9.053 ( 0.329 0.000 2.423) 2.445 9.086 ( -1.173 0.000 1.795) 2.144 9.146 ( -4.322 0.000 1.067) 4.452 9.197 ( 3.269 0.000 -1.660) 3.666 9.241 ( -0.752 0.000 8.495) 8.528 9.270 ( -1.790 0.000 -2.412) 3.004 9.328 ( -0.392 0.000 1.765) 1.808 9.396 ( -0.745 0.000 1.627) 1.789 9.457 ( -0.053 0.000 -0.405) 0.408 9.522 ( 0.852 0.000 -3.327) 3.435 9.541 ( -0.314 0.000 1.627) 1.657 9.609 ( -0.596 0.000 -0.792) 0.991 9.653 ( -1.983 0.000 1.194) 2.315 9.697 ( 5.484 0.000 7.945) 9.654 9.743 ( -3.923 0.000 2.936) 4.900 9.815 ( 2.165 0.000 3.295) 3.943 9.906 ( 1.129 0.000 5.496) 5.611 10.005 ( 1.404 0.000 1.107) 1.787 10.079 ( 8.114 0.000 5.161) 9.617 10.129 ( 9.075 0.000 14.925) 17.468 10.167 ( 2.164 0.000 5.630) 6.031 10.318 ( 4.448 0.000 3.223) 5.493 10.336 ( 2.136 0.000 -0.626) 2.226 10.445 ( 2.241 0.000 -0.102) 2.243 10.502 ( 3.792 0.000 0.684) 3.853 10.546 ( 1.169 0.000 2.145) 2.443 10.603 ( 2.389 0.000 0.690) 2.487 10.759 ( 4.213 0.000 -1.549) 4.489 10.782 ( 8.635 0.000 -4.529) 9.750 10.879 ( 3.066 0.000 -1.845) 3.578 10.905 ( 6.628 0.000 -1.556) 6.808 11.332 ( 1.080 0.000 -6.684) 6.771 11.426 ( -1.511 0.000 -4.329) 4.585 11.651 ( 1.316 0.000 -3.534) 3.771 11.708 ( -1.093 0.000 -5.180) 5.294 11.796 ( -2.616 0.000 -5.459) 6.053 11.975 ( 0.689 0.000 -10.077) 10.101 12.067 ( -6.037 0.000 -9.158) 10.969 12.123 ( -2.926 0.000 -8.493) 8.983 12.220 ( 5.407 0.000 -7.328) 9.107 12.254 ( -1.806 0.000 -7.362) 7.580 12.468 ( -2.508 0.000 -8.179) 8.555 12.574 ( -2.643 0.000 -15.382) 15.607 12.614 ( 5.542 0.000 -13.854) 14.922 12.667 ( -1.776 0.000 2.138) 2.779 12.737 ( -5.393 0.000 -5.042) 7.383 12.796 ( -3.122 0.000 7.434) 8.063 12.958 ( -2.426 0.000 1.286) 2.746 12.986 ( 0.942 0.000 -2.759) 2.915 13.204 ( -1.467 0.000 2.144) 2.598 13.269 ( 11.572 0.000 -8.135) 14.145 13.275 ( -1.389 0.000 -1.839) 2.305 13.380 ( 0.215 0.000 4.864) 4.869 13.500 ( -1.464 0.000 6.929) 7.082 13.576 ( 6.655 0.000 0.252) 6.660 13.614 ( -2.753 0.000 -1.720) 3.246 13.868 ( 0.031 0.000 0.906) 0.906 13.959 ( 0.828 0.000 1.681) 1.874 14.037 ( -3.889 0.000 6.307) 7.410 14.174 ( -0.717 0.000 -4.068) 4.131 14.216 ( -0.228 0.000 -3.363) 3.371 14.384 ( 0.558 0.000 2.591) 2.651 14.448 ( -0.795 0.000 2.582) 2.702 14.573 ( -2.702 0.000 4.300) 5.078 14.634 ( 0.080 0.000 -0.493) 0.500 14.695 ( 0.494 0.000 -4.239) 4.267 14.810 ( -2.445 0.000 2.221) 3.303 14.986 ( -0.119 0.000 7.539) 7.540 15.084 ( 1.231 0.000 4.304) 4.476 15.130 ( -0.899 0.000 3.557) 3.669 15.220 ( 5.160 0.000 7.406) 9.026 15.241 ( -1.973 0.000 5.258) 5.616 15.286 ( -4.088 0.000 1.216) 4.265 15.447 ( -2.432 0.000 1.723) 2.981 15.581 ( -2.109 0.000 5.177) 5.590 15.760 ( 0.121 0.000 1.277) 1.283 16.299 ( 8.329 0.000 -3.079) 8.880 16.458 ( 5.388 0.000 -5.597) 7.769 16.770 ( 0.364 0.000 -14.241) 14.245 ======================= Grid point 28 (16/50) ======================= q-point: ( 0.00 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( 9.112 22.430 -0.361) 24.213 0.756 ( 4.189 20.366 16.279) 26.406 1.095 ( 2.866 -28.916 -16.635) 33.482 1.215 ( 7.699 -24.529 3.503) 25.947 1.475 ( 1.695 25.030 16.027) 29.770 1.582 ( 1.028 2.168 1.956) 3.096 1.708 ( -0.295 9.434 10.828) 14.364 1.848 ( 3.352 5.207 -3.675) 7.201 1.928 ( 7.419 -2.936 -4.210) 9.021 2.034 ( 1.818 6.974 -3.385) 7.963 2.082 ( 1.544 0.984 -9.682) 9.854 2.278 ( 2.686 8.213 -11.678) 14.527 2.303 ( 0.369 1.173 -6.613) 6.726 2.365 ( 1.321 -13.609 1.219) 13.728 2.445 ( 1.371 -2.463 -2.687) 3.895 2.471 ( -1.677 -11.019 4.225) 11.920 2.529 ( 2.508 0.989 -5.920) 6.505 2.599 ( 2.431 2.459 -6.994) 7.802 2.688 ( 0.318 -2.162 -6.515) 6.872 2.728 ( -1.166 1.437 -9.919) 10.090 2.810 ( -0.366 -1.817 -1.571) 2.430 2.849 ( -1.986 2.199 -0.094) 2.964 2.897 ( -0.115 -1.435 0.085) 1.442 2.932 ( -0.319 -4.114 -0.289) 4.137 3.020 ( -3.143 -0.073 -1.334) 3.415 3.044 ( -0.382 -1.629 -3.348) 3.743 3.069 ( 0.322 -0.283 -2.915) 2.947 3.098 ( -2.472 -1.854 -5.302) 6.137 3.177 ( 3.603 0.320 -3.750) 5.211 3.222 ( 6.493 -3.111 -3.149) 7.858 3.256 ( 1.182 0.460 -3.176) 3.420 3.292 ( 0.137 -0.788 0.393) 0.891 3.369 ( -1.882 4.766 -1.143) 5.250 3.429 ( -1.276 -0.253 0.574) 1.422 3.460 ( 2.837 3.462 -1.915) 4.868 3.519 ( -0.384 3.133 -1.763) 3.616 3.597 ( -0.220 -2.141 -1.352) 2.542 3.665 ( -3.126 -3.930 2.267) 5.510 3.712 ( 1.067 4.050 -1.127) 4.337 3.771 ( -1.931 -0.982 -2.275) 3.141 3.843 ( -3.828 -2.468 -2.804) 5.348 3.888 ( -1.446 -5.695 1.844) 6.158 3.964 ( -4.617 2.320 0.334) 5.178 3.977 ( -3.590 0.061 0.959) 3.717 4.061 ( 0.657 5.403 -3.873) 6.680 4.138 ( 0.266 -0.330 -1.704) 1.756 4.223 ( 4.212 2.885 -3.683) 6.295 4.279 ( 3.819 -1.195 -2.494) 4.715 4.302 ( 0.376 1.166 -1.066) 1.624 4.355 ( -1.027 -0.713 -3.510) 3.726 4.449 ( 1.586 3.084 -2.152) 4.081 4.482 ( 3.024 0.634 -1.965) 3.662 4.558 ( 1.823 -1.646 1.505) 2.881 4.607 ( 2.009 4.504 -0.881) 5.010 4.635 ( 3.028 -2.570 -1.838) 4.377 4.687 ( -2.006 -0.061 1.327) 2.406 4.734 ( 0.018 -0.283 -1.571) 1.597 4.781 ( -0.901 -2.771 3.473) 4.533 4.838 ( -0.312 4.219 0.911) 4.328 4.923 ( 0.337 -0.972 5.146) 5.248 4.932 ( -0.984 -1.486 5.627) 5.903 4.979 ( -1.799 -3.343 4.085) 5.577 5.091 ( 1.412 2.301 0.909) 2.848 5.144 ( -1.474 -2.047 6.868) 7.317 5.219 ( -2.694 5.395 4.129) 7.308 5.291 ( 0.195 -0.261 -1.747) 1.777 5.373 ( -1.744 0.605 -0.119) 1.850 5.439 ( -2.595 -1.047 3.624) 4.579 5.484 ( -1.604 -0.730 1.851) 2.556 5.535 ( -0.541 -1.528 4.118) 4.425 5.633 ( -1.434 -1.684 -0.443) 2.256 5.649 ( -3.176 -1.990 1.642) 4.092 5.718 ( 2.925 2.695 -3.152) 5.075 5.797 ( 1.688 -0.744 -0.933) 2.067 5.857 ( 3.929 0.458 -1.921) 4.398 5.908 ( 0.407 -1.159 -1.724) 2.117 5.991 ( -0.107 1.705 -2.158) 2.752 6.039 ( -0.342 -1.609 0.606) 1.753 6.081 ( -0.791 2.937 -1.427) 3.360 6.142 ( -1.644 -1.657 0.254) 2.348 6.193 ( -2.054 1.488 -3.119) 4.020 6.226 ( -1.180 -0.295 -0.524) 1.325 6.288 ( 2.468 2.318 1.465) 3.689 6.324 ( 3.059 -0.675 -0.782) 3.229 6.376 ( -0.230 3.533 -0.324) 3.555 6.390 ( 1.910 4.016 0.423) 4.467 6.454 ( -3.271 -1.321 3.553) 5.006 6.483 ( -0.887 -2.715 0.404) 2.884 6.562 ( -2.446 1.599 -4.868) 5.678 6.580 ( -0.959 -0.284 -4.402) 4.515 6.637 ( -0.548 3.623 1.007) 3.800 6.706 ( 0.177 -0.921 3.084) 3.223 6.714 ( 0.875 1.583 0.706) 1.941 6.756 ( 1.299 -1.866 2.087) 3.087 6.780 ( -1.968 1.455 0.546) 2.507 6.831 ( 0.285 2.931 0.450) 2.979 6.850 ( 1.276 -3.707 -0.719) 3.986 6.882 ( 3.155 -1.546 1.133) 3.692 6.936 ( 3.295 -0.166 5.043) 6.026 6.970 ( 1.158 -0.370 3.925) 4.109 6.999 ( 0.942 0.017 2.184) 2.379 7.048 ( 1.161 -4.068 1.316) 4.431 7.105 ( 1.991 3.174 0.377) 3.766 7.137 ( -1.322 1.322 0.107) 1.873 7.228 ( 0.533 1.584 1.376) 2.165 7.275 ( 2.621 -3.515 3.216) 5.438 7.359 ( -0.421 1.739 2.844) 3.361 7.376 ( 0.812 1.794 2.083) 2.866 7.423 ( 0.660 3.425 -1.162) 3.676 7.512 ( 0.135 -1.577 -1.474) 2.163 7.591 ( 1.957 2.551 -0.471) 3.250 7.640 ( -0.579 2.476 -0.320) 2.563 7.676 ( -2.447 -0.477 -0.682) 2.585 7.745 ( 0.345 -5.252 -1.065) 5.370 7.830 ( -0.825 1.110 0.909) 1.655 7.880 ( -2.198 -0.993 -1.119) 2.659 7.925 ( 0.478 -1.167 -0.512) 1.361 7.949 ( -0.065 -2.491 2.906) 3.828 8.065 ( -1.571 1.834 3.228) 4.032 8.117 ( -2.098 -2.514 2.586) 4.173 8.186 ( -0.675 1.489 2.584) 3.058 8.227 ( 0.688 -1.848 -1.457) 2.452 8.301 ( -0.997 2.321 5.578) 6.124 8.339 ( 0.465 0.014 3.766) 3.795 8.385 ( -1.563 1.989 0.214) 2.539 8.441 ( -0.140 -1.620 1.036) 1.928 8.475 ( -1.765 0.879 0.191) 1.981 8.500 ( -0.455 0.831 -1.506) 1.779 8.534 ( -1.169 -1.982 0.166) 2.307 8.588 ( -0.826 -4.693 0.231) 4.771 8.633 ( 1.229 1.164 2.849) 3.314 8.686 ( 2.319 -2.751 3.877) 5.289 8.753 ( -2.622 0.010 3.438) 4.324 8.790 ( -3.333 -2.491 5.584) 6.964 8.846 ( -0.307 3.397 1.993) 3.950 8.898 ( -1.061 3.395 3.686) 5.122 8.920 ( -2.583 -3.002 4.391) 5.913 9.025 ( -5.097 -5.944 7.821) 11.067 9.037 ( 0.015 3.352 1.419) 3.640 9.096 ( -1.210 -1.075 1.416) 2.150 9.166 ( -3.678 -1.774 6.800) 7.932 9.206 ( -2.635 -2.214 2.263) 4.119 9.251 ( -0.028 -1.213 3.170) 3.394 9.281 ( 2.421 -3.706 2.129) 4.912 9.367 ( -0.504 2.227 -2.637) 3.488 9.413 ( 0.423 -1.928 -0.517) 2.040 9.488 ( -1.081 1.377 -0.652) 1.868 9.503 ( -1.068 0.350 -1.067) 1.550 9.593 ( -0.135 1.246 0.868) 1.524 9.633 ( 0.979 -1.714 3.065) 3.646 9.679 ( -0.507 3.179 3.306) 4.614 9.730 ( -1.211 -1.707 5.552) 5.933 9.829 ( -1.799 6.386 1.150) 6.733 9.929 ( -0.937 -2.217 -0.037) 2.407 9.980 ( -0.956 3.266 0.601) 3.455 10.071 ( 1.103 -2.940 0.135) 3.143 10.146 ( -1.150 -0.214 3.566) 3.753 10.231 ( -4.071 -7.098 3.151) 8.768 10.375 ( -1.901 1.690 -0.620) 2.618 10.408 ( -1.910 -1.311 -1.251) 2.633 10.521 ( -1.992 1.817 -0.780) 2.807 10.553 ( 1.127 -0.668 1.162) 1.751 10.634 ( -1.792 2.363 -0.359) 2.987 10.710 ( -1.979 -3.705 -1.813) 4.575 10.823 ( -5.903 7.020 -4.522) 10.226 10.903 ( 0.533 -1.500 -0.484) 1.663 10.975 ( 2.002 0.139 -0.874) 2.189 10.988 ( 4.355 -1.058 -0.182) 4.485 11.439 ( -2.397 3.297 -3.436) 5.332 11.464 ( 0.981 2.560 -4.828) 5.552 11.651 ( 10.555 0.421 -0.358) 10.569 11.713 ( 6.994 -3.646 -2.095) 8.161 11.762 ( 0.207 1.905 -4.713) 5.087 11.830 ( 3.409 -4.869 -5.240) 7.924 12.013 ( 2.900 3.887 -5.213) 7.120 12.109 ( 0.786 -5.279 -7.149) 8.921 12.149 ( 2.666 5.562 -12.569) 14.001 12.283 ( 1.725 -6.007 -11.534) 13.119 12.394 ( 1.222 3.325 -14.117) 14.555 12.431 ( 1.391 -0.763 -12.887) 12.984 12.602 ( 0.961 2.717 -2.918) 4.101 12.643 ( -1.595 -0.030 -2.103) 2.639 12.726 ( -1.725 3.818 1.527) 4.459 12.784 ( -2.958 0.144 4.330) 5.246 12.927 ( -1.881 0.190 5.208) 5.541 12.981 ( 0.348 -4.151 0.915) 4.265 13.229 ( 0.530 2.429 1.473) 2.889 13.279 ( 1.510 2.181 -4.876) 5.551 13.301 ( 0.473 -0.837 4.717) 4.813 13.411 ( 7.609 -4.889 -7.997) 12.073 13.577 ( 0.326 3.131 0.009) 3.148 13.593 ( 0.986 1.628 -3.650) 4.117 13.706 ( -0.505 4.733 1.478) 4.984 13.821 ( -2.238 -4.895 -1.508) 5.589 13.973 ( -2.175 3.220 6.687) 7.734 14.020 ( -2.092 -1.285 9.783) 10.087 14.158 ( 2.602 0.025 -3.425) 4.301 14.192 ( 2.553 -2.402 -2.719) 4.436 14.411 ( -0.323 -0.200 3.027) 3.051 14.442 ( 0.429 -3.501 2.085) 4.098 14.554 ( -0.572 1.139 3.626) 3.844 14.584 ( -1.023 -1.507 4.505) 4.860 14.722 ( 1.665 2.019 -3.808) 4.620 14.764 ( -0.418 -1.520 1.470) 2.156 14.931 ( -2.581 3.195 4.232) 5.898 15.005 ( -0.009 -4.839 5.420) 7.266 15.134 ( -1.598 0.794 2.635) 3.183 15.178 ( -2.867 -1.936 5.227) 6.268 15.235 ( -0.996 0.893 4.291) 4.495 15.310 ( 0.936 -6.898 3.699) 7.883 15.494 ( -0.624 1.598 2.352) 2.912 15.526 ( -0.037 -1.296 2.996) 3.264 15.949 ( -0.159 14.119 -1.410) 14.190 16.227 ( -0.610 -12.973 -4.501) 13.745 16.680 ( 1.271 5.608 -11.982) 13.290 16.714 ( 0.871 3.283 -15.889) 16.248 ======================= Grid point 29 (17/50) ======================= q-point: ( 0.14 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 21.447 10.496 4.837) 24.362 1.018 ( 12.462 15.500 14.791) 24.785 1.174 ( 11.816 -18.638 -5.832) 22.826 1.385 ( 5.478 -15.817 2.404) 16.911 1.580 ( 1.189 -3.438 4.717) 5.957 1.604 ( 1.230 -5.204 2.278) 5.812 1.822 ( 3.425 14.965 6.457) 16.655 1.912 ( 5.246 15.309 7.237) 17.727 1.963 ( 4.212 0.244 -8.440) 9.436 2.095 ( 4.529 -1.488 -8.205) 9.489 2.142 ( 5.807 5.496 -2.679) 8.433 2.245 ( 3.137 3.346 -7.726) 8.985 2.288 ( 0.860 -2.246 -9.619) 9.915 2.396 ( 2.888 -2.073 -7.440) 8.246 2.445 ( 0.016 0.514 -5.432) 5.456 2.537 ( 1.623 -8.056 3.827) 9.065 2.565 ( 4.786 1.191 -3.375) 5.976 2.607 ( 1.027 4.288 -9.346) 10.334 2.665 ( -0.688 1.984 -8.197) 8.462 2.702 ( 2.199 -3.783 -2.876) 5.237 2.758 ( -2.790 0.791 -5.436) 6.161 2.832 ( -0.292 -3.374 1.324) 3.636 2.876 ( -0.871 -3.705 4.566) 5.945 2.936 ( 1.165 -2.933 2.754) 4.189 2.976 ( 1.694 -0.101 -5.091) 5.367 3.019 ( -2.078 -2.557 1.141) 3.487 3.044 ( 1.594 -3.104 0.556) 3.534 3.100 ( 3.211 -3.873 -1.076) 5.145 3.209 ( 1.198 1.615 -6.778) 7.070 3.251 ( 1.095 1.217 -5.143) 5.397 3.290 ( 0.067 0.841 -1.136) 1.415 3.319 ( 1.513 0.266 -2.348) 2.806 3.381 ( 3.890 3.441 -4.273) 6.726 3.458 ( 3.406 -2.498 -2.041) 4.691 3.495 ( 1.457 4.393 -2.132) 5.096 3.529 ( 0.187 1.415 -4.764) 4.973 3.559 ( -0.254 -0.855 -2.980) 3.111 3.636 ( -0.051 -8.290 3.412) 8.965 3.713 ( -1.323 0.807 -3.611) 3.930 3.751 ( -1.328 0.956 -3.500) 3.864 3.769 ( 0.493 0.357 1.408) 1.534 3.885 ( 0.499 -4.439 0.518) 4.497 3.939 ( 1.789 -0.461 1.752) 2.546 3.983 ( 2.699 -2.630 -0.108) 3.770 4.071 ( 1.501 5.359 -3.888) 6.789 4.127 ( 0.045 1.401 -2.452) 2.824 4.230 ( 0.725 1.685 -4.295) 4.670 4.288 ( 0.220 2.539 -0.477) 2.593 4.351 ( 0.404 -2.924 -1.117) 3.156 4.366 ( 3.132 -0.231 -5.678) 6.488 4.447 ( 0.217 1.132 -1.716) 2.067 4.507 ( 0.016 -2.718 -1.168) 2.958 4.559 ( -0.229 2.344 -3.491) 4.211 4.629 ( 1.237 0.351 -0.179) 1.298 4.659 ( -1.731 -1.059 2.458) 3.187 4.678 ( 1.060 -5.206 -1.476) 5.514 4.755 ( 3.065 1.817 -0.524) 3.601 4.805 ( 2.343 -1.599 0.664) 2.913 4.873 ( 4.382 6.651 -1.903) 8.189 4.932 ( -1.229 0.669 3.631) 3.892 4.976 ( -1.042 -1.894 4.235) 4.755 5.002 ( 2.146 -0.825 5.556) 6.013 5.072 ( -3.322 3.699 2.038) 5.373 5.143 ( -1.083 -1.860 5.409) 5.822 5.198 ( -1.828 4.114 3.749) 5.859 5.301 ( 1.124 -2.047 -1.556) 2.806 5.350 ( -0.191 0.607 -0.256) 0.686 5.414 ( -0.718 -1.295 2.867) 3.227 5.476 ( -0.463 -0.625 1.879) 2.034 5.532 ( -2.172 -3.599 1.214) 4.375 5.575 ( -2.405 -0.711 -1.048) 2.718 5.611 ( -0.383 -3.177 -0.002) 3.200 5.766 ( 1.267 2.703 0.105) 2.987 5.818 ( -1.107 -0.317 2.321) 2.591 5.853 ( -3.850 1.614 0.538) 4.210 5.885 ( -2.157 0.217 -1.980) 2.936 5.963 ( -0.640 1.701 -1.033) 2.091 6.005 ( 0.615 -0.588 -0.558) 1.018 6.035 ( -3.486 1.223 0.694) 3.759 6.099 ( -0.176 -3.312 0.905) 3.438 6.172 ( -0.465 -0.214 -3.031) 3.074 6.183 ( -0.968 -2.206 -1.022) 2.617 6.290 ( -1.007 3.985 -1.255) 4.297 6.330 ( -1.454 1.536 -1.971) 2.891 6.357 ( -2.332 2.170 0.101) 3.187 6.432 ( -2.721 -1.363 -2.818) 4.148 6.465 ( 1.877 2.477 0.961) 3.253 6.485 ( -0.692 -0.109 -0.488) 0.853 6.514 ( -0.448 -0.993 1.340) 1.727 6.553 ( 2.635 -2.652 1.758) 4.131 6.640 ( -0.427 3.737 2.825) 4.704 6.709 ( -1.207 0.546 0.686) 1.491 6.732 ( 0.169 -0.696 3.792) 3.859 6.766 ( 0.220 -1.655 2.679) 3.156 6.812 ( 1.735 -1.508 3.873) 4.504 6.833 ( 1.275 -1.332 1.980) 2.706 6.924 ( 1.971 4.190 2.826) 5.424 6.971 ( 1.612 1.552 4.362) 4.902 6.984 ( 2.622 0.502 1.252) 2.949 7.029 ( 4.086 -0.090 -0.018) 4.087 7.055 ( 2.281 1.150 0.291) 2.571 7.079 ( 1.217 1.518 1.240) 2.307 7.126 ( 1.915 2.271 -1.235) 3.217 7.173 ( 5.622 -2.217 -1.619) 6.257 7.254 ( 0.110 5.550 1.958) 5.886 7.335 ( -0.555 -3.321 2.118) 3.978 7.386 ( 1.069 1.039 1.711) 2.270 7.399 ( 1.010 0.177 1.057) 1.473 7.472 ( 5.503 2.377 2.510) 6.499 7.559 ( 3.179 -3.381 -0.404) 4.659 7.613 ( 0.860 1.795 -2.205) 2.971 7.656 ( 2.430 1.610 -0.040) 2.915 7.686 ( 3.264 1.764 -0.406) 3.733 7.756 ( -0.166 0.173 0.614) 0.659 7.799 ( 1.171 -3.021 -0.525) 3.282 7.849 ( -1.645 -3.331 -0.086) 3.716 7.947 ( 0.749 0.518 0.859) 1.252 7.971 ( -0.584 -0.926 1.949) 2.235 8.052 ( -0.332 1.187 -0.567) 1.357 8.095 ( -0.844 -2.309 -0.103) 2.460 8.177 ( -1.004 0.112 4.339) 4.455 8.209 ( -1.819 -2.692 1.982) 3.806 8.290 ( -2.331 1.300 2.257) 3.495 8.309 ( -4.559 0.639 2.535) 5.255 8.349 ( -1.802 1.369 4.439) 4.983 8.405 ( -2.921 -2.984 -2.175) 4.708 8.441 ( -0.584 3.987 0.896) 4.128 8.488 ( -0.931 -1.288 -1.026) 1.892 8.530 ( -0.178 0.030 0.488) 0.520 8.564 ( -2.047 -3.420 0.189) 3.990 8.653 ( -5.566 -0.452 5.379) 7.754 8.660 ( -1.469 -0.709 3.884) 4.213 8.727 ( -0.393 1.492 2.085) 2.594 8.764 ( -1.451 -1.549 2.842) 3.547 8.845 ( -0.635 1.783 3.910) 4.344 8.907 ( -1.461 -0.292 2.644) 3.035 8.916 ( -1.421 -2.386 7.739) 8.222 8.945 ( -1.765 -0.762 4.623) 5.007 9.043 ( -2.213 3.853 0.767) 4.509 9.096 ( -3.660 0.665 4.497) 5.837 9.149 ( -1.380 -0.291 2.408) 2.791 9.190 ( 0.655 -2.652 1.651) 3.192 9.262 ( -1.575 0.454 0.315) 1.669 9.298 ( -1.602 -0.788 1.503) 2.334 9.342 ( -0.979 1.835 -1.440) 2.530 9.390 ( -2.428 -1.748 -1.438) 3.319 9.465 ( -1.038 0.404 0.167) 1.126 9.486 ( -0.975 -0.083 0.109) 0.984 9.593 ( 1.043 1.348 -0.827) 1.895 9.657 ( 0.279 -2.903 0.277) 2.929 9.706 ( 0.723 3.599 4.630) 5.909 9.746 ( 1.006 -0.213 5.532) 5.627 9.824 ( 1.237 2.458 3.998) 4.854 9.908 ( -0.208 -3.968 0.256) 3.981 9.971 ( -1.417 5.014 3.045) 6.035 10.053 ( -3.311 -0.839 0.382) 3.437 10.135 ( -3.619 -2.308 2.990) 5.231 10.166 ( -2.026 -5.641 3.080) 6.739 10.265 ( -7.049 1.933 0.101) 7.310 10.292 ( -6.332 -0.275 0.518) 6.359 10.458 ( -2.581 3.674 -1.492) 4.732 10.526 ( -2.332 -1.457 -1.075) 2.952 10.542 ( -4.895 1.512 -0.289) 5.132 10.581 ( -6.053 0.060 -1.805) 6.316 10.759 ( -1.033 4.444 -3.985) 6.058 10.864 ( -2.708 -4.819 -1.410) 5.705 11.005 ( 0.210 1.503 3.820) 4.110 11.037 ( -0.306 -1.345 5.446) 5.618 11.397 ( -0.645 3.741 -2.951) 4.808 11.476 ( 0.901 -2.882 -4.158) 5.139 11.676 ( 2.105 2.704 -3.660) 5.013 11.726 ( 1.301 0.845 -6.303) 6.492 11.804 ( 1.952 -0.390 -3.563) 4.081 11.889 ( -0.958 -8.506 -3.528) 9.259 12.104 ( 1.609 4.382 -8.481) 9.681 12.148 ( 5.275 1.273 -8.237) 9.864 12.182 ( 4.545 -3.477 -10.152) 11.654 12.207 ( 2.830 -2.905 -11.942) 12.612 12.341 ( 0.662 5.595 -14.974) 15.999 12.456 ( 4.454 -5.619 -15.461) 17.043 12.589 ( 0.607 3.432 -1.155) 3.672 12.662 ( 3.726 -0.739 -5.051) 6.319 12.732 ( 1.077 -0.228 3.088) 3.278 12.766 ( -0.605 -1.342 4.262) 4.509 12.934 ( -0.385 -0.475 3.475) 3.529 12.982 ( -1.055 -3.964 2.357) 4.731 13.247 ( 0.160 1.270 3.001) 3.262 13.263 ( -0.500 2.488 -3.322) 4.180 13.339 ( 1.920 5.012 -0.638) 5.405 13.480 ( 4.353 -5.243 -7.772) 10.336 13.559 ( -0.756 6.753 -4.414) 8.103 13.622 ( 0.684 3.788 2.795) 4.757 13.702 ( 0.274 -0.636 -0.288) 0.750 13.779 ( 1.499 -4.525 -3.860) 6.134 13.971 ( -1.449 2.843 7.315) 7.981 14.030 ( -2.084 -1.939 10.104) 10.497 14.194 ( 1.839 0.306 -1.378) 2.318 14.243 ( 2.022 -3.264 1.409) 4.090 14.408 ( -1.279 -0.086 2.817) 3.095 14.439 ( -1.030 -3.332 1.934) 3.988 14.584 ( 1.180 2.118 2.425) 3.429 14.619 ( 0.660 -0.497 5.464) 5.527 14.744 ( 2.192 1.014 -2.982) 3.838 14.773 ( 0.590 -0.601 1.312) 1.559 14.932 ( 0.394 7.079 4.410) 8.350 15.039 ( 0.672 -3.842 3.480) 5.227 15.131 ( -0.437 -1.474 3.274) 3.617 15.144 ( -2.760 -1.442 4.240) 5.260 15.256 ( 1.110 1.586 3.487) 3.988 15.333 ( -0.326 -5.090 3.325) 6.089 15.503 ( 1.103 1.570 2.907) 3.483 15.533 ( -1.590 -0.328 4.489) 4.774 15.935 ( -0.546 11.864 -1.613) 11.986 16.143 ( -4.010 -8.210 -4.930) 10.382 16.538 ( -6.145 6.794 -10.666) 14.060 16.661 ( 0.405 -4.989 -13.685) 14.571 ======================= Grid point 30 (18/50) ======================= q-point: ( 0.29 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 12.330 8.406 0.507) 14.931 1.300 ( 9.898 1.647 4.606) 11.041 1.397 ( 5.429 -2.720 5.469) 8.172 1.461 ( 11.115 -7.950 2.435) 13.880 1.599 ( 4.741 3.605 4.877) 7.698 1.752 ( 8.509 -10.955 -1.555) 13.958 1.862 ( 2.761 6.297 -2.385) 7.278 1.941 ( 0.945 0.721 -5.073) 5.210 2.072 ( 5.306 1.688 -4.854) 7.387 2.128 ( 2.430 -3.242 -4.434) 6.006 2.185 ( 0.637 -1.781 -9.477) 9.664 2.222 ( 0.017 -2.306 -9.697) 9.968 2.349 ( -3.485 1.929 -8.508) 9.395 2.375 ( 1.226 -1.055 -4.164) 4.467 2.416 ( 4.196 4.967 -4.057) 7.664 2.530 ( -0.604 4.757 -4.882) 6.843 2.545 ( -2.542 -0.445 -5.263) 5.862 2.608 ( -2.538 1.119 -4.079) 4.933 2.637 ( -1.747 0.121 3.013) 3.485 2.702 ( 3.374 5.268 0.567) 6.282 2.750 ( 2.437 -4.233 3.235) 5.858 2.826 ( 1.888 -3.687 -1.083) 4.282 2.933 ( 0.655 -0.083 0.841) 1.069 2.973 ( -1.811 4.170 1.357) 4.745 2.990 ( 2.109 -1.871 0.949) 2.975 3.029 ( 5.529 5.056 -2.660) 7.950 3.121 ( 1.188 -0.548 0.312) 1.345 3.163 ( 5.118 -1.676 4.468) 6.998 3.199 ( 1.140 0.236 -3.793) 3.968 3.269 ( 2.242 -1.104 -1.845) 3.106 3.282 ( 3.545 3.048 -2.312) 5.216 3.335 ( 2.594 -1.336 -3.030) 4.206 3.408 ( 2.010 -1.637 -4.455) 5.154 3.448 ( -0.237 0.058 -6.540) 6.545 3.538 ( 4.297 -0.140 -8.079) 9.152 3.555 ( 4.920 1.452 -1.377) 5.311 3.585 ( 2.291 -1.850 0.238) 2.954 3.659 ( -2.197 0.081 0.291) 2.218 3.690 ( 1.985 -4.112 1.139) 4.706 3.721 ( 1.515 -5.266 0.560) 5.508 3.795 ( 0.902 2.714 0.853) 2.984 3.912 ( 2.038 -5.045 -0.458) 5.461 3.968 ( -0.336 -0.136 -0.364) 0.514 4.023 ( 1.200 -2.530 -0.419) 2.831 4.069 ( -0.392 2.636 -0.066) 2.666 4.136 ( 1.056 -0.197 -1.406) 1.770 4.224 ( 0.499 1.384 -1.809) 2.332 4.276 ( -1.429 -2.868 -1.316) 3.464 4.342 ( 1.458 2.571 -5.315) 6.081 4.378 ( 0.990 0.330 -2.356) 2.576 4.458 ( 0.101 -1.102 0.372) 1.167 4.482 ( -0.159 -2.877 -3.313) 4.391 4.552 ( 0.347 2.025 -4.239) 4.710 4.620 ( -0.887 -1.799 -2.381) 3.113 4.663 ( 0.615 -0.886 0.751) 1.314 4.688 ( 1.169 -3.069 -1.497) 3.609 4.783 ( -0.253 4.561 -1.883) 4.941 4.836 ( 0.008 0.499 0.256) 0.561 4.910 ( -1.400 5.068 0.395) 5.273 4.933 ( 2.162 2.897 -2.408) 4.343 4.969 ( 0.388 -2.451 2.848) 3.777 5.016 ( -2.946 0.327 2.285) 3.743 5.086 ( 1.046 1.130 4.658) 4.906 5.157 ( -1.424 -3.904 2.452) 4.825 5.180 ( -0.384 4.778 4.641) 6.672 5.304 ( 1.082 -5.157 0.008) 5.269 5.384 ( 0.338 3.271 0.152) 3.292 5.414 ( -0.826 -0.518 4.353) 4.460 5.447 ( -0.544 -0.729 -2.449) 2.613 5.520 ( -0.178 -2.852 3.861) 4.803 5.562 ( -0.073 -0.352 1.524) 1.565 5.624 ( 1.286 -2.789 -0.250) 3.081 5.727 ( -3.292 1.186 0.058) 3.500 5.746 ( -4.448 0.898 2.114) 5.006 5.821 ( -1.237 2.588 0.446) 2.903 5.863 ( -0.200 -0.097 -0.475) 0.525 5.952 ( -0.466 1.713 -0.247) 1.792 5.994 ( -0.469 -1.249 1.149) 1.761 6.053 ( 0.606 1.923 -1.978) 2.824 6.109 ( 0.929 -3.797 0.009) 3.909 6.144 ( -0.864 1.174 -2.001) 2.476 6.162 ( 0.879 0.446 -0.674) 1.194 6.247 ( -1.786 3.227 -0.983) 3.817 6.294 ( -0.303 -0.681 -4.324) 4.387 6.325 ( -0.996 3.418 0.750) 3.639 6.376 ( -1.823 -0.667 -3.349) 3.871 6.447 ( -1.551 -2.307 1.308) 3.072 6.461 ( -1.790 -2.505 0.875) 3.200 6.542 ( 1.083 1.076 3.579) 3.891 6.599 ( -0.915 -1.786 3.374) 3.925 6.649 ( 0.067 4.017 2.311) 4.635 6.695 ( -2.114 0.245 2.104) 2.993 6.737 ( -0.073 -1.971 2.826) 3.446 6.778 ( 1.192 -3.542 -0.969) 3.861 6.861 ( 1.660 1.738 2.732) 3.638 6.900 ( 2.560 -1.781 5.061) 5.945 6.943 ( -1.064 5.744 2.391) 6.312 7.025 ( 1.137 3.522 4.149) 5.560 7.030 ( 1.853 1.449 2.726) 3.601 7.054 ( -1.171 1.190 1.710) 2.390 7.107 ( 2.806 0.964 1.229) 3.212 7.158 ( 3.718 1.884 -0.753) 4.236 7.172 ( 1.891 2.252 -0.433) 2.973 7.230 ( 0.159 -3.151 -2.262) 3.882 7.259 ( 1.351 -0.443 0.798) 1.630 7.305 ( -0.006 -2.848 -0.660) 2.923 7.420 ( 2.441 -0.324 0.938) 2.635 7.440 ( 1.102 -0.941 0.935) 1.724 7.559 ( 0.098 2.230 0.515) 2.291 7.598 ( 2.389 0.962 2.602) 3.661 7.637 ( 1.438 1.417 -0.408) 2.060 7.669 ( 0.362 -1.468 -1.393) 2.056 7.733 ( 1.746 -0.539 -0.670) 1.946 7.780 ( 0.517 0.288 -1.364) 1.487 7.808 ( 0.409 -1.709 0.213) 1.770 7.851 ( 1.238 -1.648 -1.856) 2.774 7.933 ( -0.791 0.985 2.750) 3.026 7.974 ( -1.009 -2.358 2.766) 3.772 8.035 ( -1.619 0.143 -0.390) 1.671 8.072 ( -1.145 -2.580 -0.202) 2.829 8.171 ( -2.111 1.381 0.520) 2.576 8.223 ( -1.587 -2.076 -0.928) 2.773 8.245 ( -0.049 0.051 0.825) 0.828 8.264 ( 0.903 -0.435 2.880) 3.049 8.345 ( -1.508 -0.442 -0.708) 1.724 8.373 ( 0.730 -1.274 2.647) 3.027 8.455 ( 0.135 1.848 3.451) 3.917 8.479 ( -0.577 0.470 1.898) 2.039 8.513 ( -1.581 0.333 3.985) 4.300 8.531 ( -0.676 -0.768 1.622) 1.918 8.587 ( -2.138 1.019 3.476) 4.206 8.649 ( -2.037 -2.991 3.613) 5.113 8.738 ( 0.327 2.714 1.715) 3.227 8.769 ( 0.293 -1.193 3.488) 3.698 8.856 ( -1.205 2.123 1.530) 2.880 8.886 ( -1.308 -1.534 -0.895) 2.206 8.922 ( -2.266 0.946 8.778) 9.115 8.937 ( -3.823 -0.337 3.333) 5.083 8.997 ( -0.536 2.211 3.786) 4.417 9.042 ( -2.688 0.030 3.191) 4.172 9.137 ( -1.593 0.875 2.427) 3.032 9.179 ( -2.393 -0.387 1.428) 2.814 9.210 ( -4.203 0.232 0.507) 4.240 9.255 ( -2.807 2.864 0.368) 4.027 9.279 ( -3.270 -1.267 -0.565) 3.552 9.339 ( -2.204 -0.420 0.285) 2.261 9.428 ( -2.749 0.260 -0.085) 2.763 9.474 ( -0.281 -1.244 1.244) 1.781 9.628 ( 1.682 0.417 0.927) 1.965 9.671 ( 0.704 -3.358 1.114) 3.607 9.763 ( 2.454 4.726 2.762) 5.998 9.803 ( 1.326 -1.473 3.751) 4.243 9.874 ( 0.243 1.898 2.774) 3.370 9.916 ( -3.538 4.256 3.682) 6.647 9.942 ( 0.999 -1.780 2.968) 3.602 10.032 ( -1.931 -1.749 2.836) 3.851 10.056 ( -0.725 -0.240 -0.365) 0.846 10.150 ( -1.002 -4.057 -1.089) 4.319 10.200 ( -0.858 -0.166 1.846) 2.042 10.243 ( -0.154 -4.287 3.105) 5.295 10.396 ( -3.470 2.280 0.364) 4.168 10.452 ( -3.889 -2.424 -1.350) 4.778 10.480 ( -1.838 2.513 -1.294) 3.372 10.513 ( -0.203 -1.226 -1.985) 2.342 10.715 ( -1.383 4.144 -1.965) 4.790 10.803 ( -2.567 -3.759 -1.199) 4.707 10.997 ( -3.579 2.380 3.498) 5.542 11.033 ( -3.553 -0.739 4.550) 5.820 11.378 ( 0.536 5.269 -3.297) 6.238 11.483 ( 2.911 -3.123 -3.997) 5.848 11.675 ( -0.594 3.035 -4.692) 5.619 11.718 ( -0.958 2.564 -5.175) 5.854 11.791 ( -0.256 -5.561 -6.154) 8.299 11.832 ( -0.992 -7.169 -4.609) 8.580 12.076 ( 0.613 1.564 -10.900) 11.029 12.102 ( 1.321 -0.484 -7.649) 7.777 12.229 ( 2.897 5.819 -11.824) 13.493 12.267 ( 7.040 1.989 -11.053) 13.255 12.311 ( 4.260 -0.026 -10.138) 10.996 12.406 ( 0.758 -8.109 -12.079) 14.568 12.621 ( 1.525 1.901 -1.882) 3.079 12.681 ( 1.478 -2.168 -4.722) 5.402 12.763 ( -0.029 0.268 2.534) 2.548 12.801 ( 1.662 -2.281 1.494) 3.193 12.917 ( -2.137 2.427 2.980) 4.398 13.003 ( 0.892 -3.877 4.300) 5.858 13.221 ( -1.445 5.456 -3.250) 6.514 13.268 ( -0.522 -1.414 3.984) 4.260 13.360 ( 1.038 5.097 -2.323) 5.697 13.499 ( 0.261 -0.849 -5.062) 5.140 13.535 ( 1.744 3.876 -6.019) 7.368 13.627 ( -1.763 5.005 5.248) 7.463 13.706 ( 0.382 -1.453 -1.974) 2.481 13.825 ( 4.249 -7.031 -4.677) 9.453 13.990 ( -0.484 3.967 5.578) 6.862 14.048 ( -0.694 -1.028 7.533) 7.635 14.215 ( 0.669 -1.161 0.380) 1.393 14.259 ( -1.024 -4.977 1.787) 5.386 14.396 ( -1.018 1.077 1.676) 2.238 14.439 ( -0.106 -2.884 1.701) 3.350 14.610 ( -0.105 2.206 3.461) 4.105 14.647 ( -0.596 0.432 5.759) 5.806 14.765 ( 0.824 -0.075 -0.502) 0.968 14.790 ( 0.716 -0.954 -0.186) 1.207 14.962 ( 0.153 5.814 2.867) 6.484 15.058 ( -0.863 -3.694 4.077) 5.569 15.132 ( -0.132 1.020 3.656) 3.798 15.152 ( 0.655 -0.743 3.249) 3.396 15.291 ( 0.232 1.338 2.909) 3.211 15.345 ( 0.507 -3.013 2.148) 3.735 15.510 ( -2.286 1.787 5.163) 5.923 15.580 ( 4.013 -2.627 2.461) 5.391 15.914 ( -0.387 8.868 -1.547) 9.010 16.060 ( -2.041 -4.813 -4.107) 6.648 16.374 ( -5.409 10.340 -8.889) 14.669 16.609 ( 0.958 -10.932 -11.239) 15.709 ======================= Grid point 31 (19/50) ======================= q-point: ( 0.43 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -4.776 1.611 -1.497) 5.258 1.311 ( -2.736 -3.216 -3.197) 5.296 1.642 ( 6.242 2.867 -0.921) 6.931 1.688 ( 5.567 -0.807 -4.929) 7.479 1.732 ( 2.648 3.268 -1.665) 4.524 1.827 ( -0.066 -3.778 -7.016) 7.969 1.899 ( 5.215 2.020 -5.172) 7.618 1.975 ( 5.255 2.050 -1.183) 5.763 2.025 ( -2.657 1.858 -4.465) 5.518 2.120 ( 3.004 -1.326 -3.687) 4.937 2.180 ( 0.346 1.602 -0.197) 1.650 2.238 ( -1.539 -1.980 -5.937) 6.445 2.276 ( 0.739 -3.291 -3.945) 5.190 2.352 ( 2.685 -7.101 -2.003) 7.852 2.433 ( -1.880 -1.757 -5.468) 6.043 2.446 ( 1.972 0.656 -3.215) 3.828 2.501 ( -1.722 1.598 -3.549) 4.256 2.558 ( 2.165 0.993 1.077) 2.614 2.650 ( 1.305 1.688 -1.828) 2.810 2.716 ( -1.408 3.065 1.547) 3.711 2.793 ( -0.838 -3.211 0.885) 3.435 2.835 ( -0.404 -5.224 -1.834) 5.552 2.945 ( 0.280 1.237 -3.699) 3.911 2.963 ( 1.087 1.128 2.511) 2.960 3.048 ( 2.278 2.762 1.421) 3.852 3.090 ( 2.589 1.271 -0.038) 2.885 3.151 ( 0.874 3.045 -1.808) 3.648 3.199 ( 1.484 0.013 0.483) 1.561 3.240 ( -0.971 6.639 -1.567) 6.890 3.321 ( 1.537 1.391 -0.503) 2.133 3.376 ( 2.193 3.683 -9.117) 10.074 3.397 ( 6.322 2.461 2.004) 7.074 3.432 ( 4.990 -1.404 -3.211) 6.097 3.459 ( 2.089 -1.801 0.896) 2.900 3.551 ( -0.087 -0.759 -3.492) 3.575 3.594 ( 1.969 -2.082 -0.295) 2.881 3.639 ( 1.364 -0.979 -1.524) 2.267 3.663 ( 1.677 -1.299 2.263) 3.102 3.748 ( 2.801 -0.569 1.739) 3.345 3.790 ( 3.943 -4.478 2.253) 6.377 3.834 ( 2.527 2.313 -1.393) 3.698 3.924 ( -1.316 -4.535 0.428) 4.741 3.970 ( -1.483 0.360 0.123) 1.532 4.003 ( 1.674 0.483 0.848) 1.938 4.076 ( -0.682 -0.826 1.666) 1.981 4.151 ( 1.248 -3.438 0.068) 3.658 4.227 ( -0.017 -1.691 -2.725) 3.207 4.248 ( 1.062 -1.381 -0.486) 1.809 4.337 ( -0.536 0.951 -3.372) 3.544 4.353 ( -1.255 -1.122 -1.060) 1.989 4.436 ( -0.381 2.633 -2.402) 3.584 4.493 ( -1.044 2.357 -4.220) 4.945 4.515 ( 1.134 -3.714 -2.426) 4.579 4.598 ( -0.739 -3.062 -5.114) 6.006 4.655 ( -0.160 -0.971 -3.970) 4.090 4.699 ( -0.482 -1.332 -0.293) 1.446 4.775 ( 1.191 5.245 -0.761) 5.432 4.830 ( -0.293 0.034 0.419) 0.513 4.891 ( -0.263 5.191 -3.882) 6.487 4.931 ( -0.503 2.195 -1.594) 2.759 4.966 ( -1.613 0.252 5.494) 5.732 4.999 ( 0.068 -2.804 1.739) 3.301 5.093 ( -2.347 2.907 6.377) 7.391 5.146 ( 1.010 -3.269 -1.396) 3.695 5.221 ( 1.095 3.129 4.138) 5.302 5.325 ( -0.439 -3.382 0.612) 3.464 5.363 ( -0.362 0.765 2.606) 2.740 5.407 ( -1.687 -3.194 3.207) 4.830 5.482 ( 2.195 0.432 1.454) 2.668 5.533 ( -1.417 1.974 3.587) 4.333 5.569 ( -0.034 -1.114 3.702) 3.866 5.642 ( 1.042 -2.280 -1.662) 3.008 5.686 ( -1.073 -0.859 -0.692) 1.539 5.711 ( -0.332 -0.958 -0.691) 1.227 5.784 ( -2.150 3.124 -0.484) 3.823 5.853 ( -1.304 -2.096 -1.696) 2.995 5.930 ( -0.097 2.679 -1.663) 3.155 5.979 ( -1.213 -0.428 -1.143) 1.720 6.055 ( 0.758 3.044 1.208) 3.362 6.095 ( -0.737 -1.413 0.170) 1.603 6.159 ( 1.849 3.889 -2.077) 4.781 6.186 ( 0.012 2.554 0.901) 2.708 6.238 ( 1.254 0.167 0.783) 1.488 6.283 ( 0.859 -0.884 -1.922) 2.283 6.301 ( -1.380 -0.575 -1.136) 1.878 6.348 ( 0.641 -2.647 -0.828) 2.847 6.437 ( -0.310 0.332 0.647) 0.790 6.471 ( 1.904 -1.758 -0.933) 2.754 6.551 ( -0.498 0.416 1.629) 1.753 6.580 ( -1.140 -1.372 3.753) 4.155 6.657 ( -2.716 1.261 3.498) 4.605 6.671 ( 0.237 -0.282 1.281) 1.333 6.758 ( 0.808 0.155 0.293) 0.874 6.799 ( 0.543 -2.499 -0.879) 2.705 6.876 ( -2.638 2.265 2.096) 4.060 6.915 ( -2.068 1.578 0.693) 2.692 6.946 ( -0.391 1.278 2.348) 2.701 6.979 ( -4.282 2.970 -0.918) 5.291 7.049 ( -1.946 2.599 4.307) 5.394 7.092 ( 1.088 -2.394 4.223) 4.975 7.133 ( 0.505 2.739 0.662) 2.863 7.166 ( 0.259 -1.359 -0.008) 1.383 7.198 ( -0.257 0.674 -0.660) 0.978 7.217 ( -0.507 0.180 4.513) 4.545 7.293 ( 0.997 0.168 -1.131) 1.517 7.350 ( 3.580 -2.612 -4.715) 6.470 7.448 ( -0.339 0.030 1.527) 1.564 7.478 ( 2.961 -2.634 -0.186) 3.967 7.559 ( 0.522 1.308 -0.166) 1.418 7.609 ( -1.794 -2.211 0.023) 2.848 7.649 ( -1.381 0.851 -1.163) 1.996 7.662 ( 0.520 0.361 0.849) 1.059 7.757 ( 0.243 1.619 0.090) 1.640 7.786 ( 2.286 -2.409 0.149) 3.324 7.823 ( -0.935 1.021 3.015) 3.318 7.854 ( -0.181 -2.269 0.064) 2.277 7.933 ( -1.139 1.057 -0.830) 1.762 7.952 ( 0.434 0.155 1.144) 1.233 8.012 ( -0.971 -0.020 -0.429) 1.062 8.063 ( -0.280 -3.927 1.171) 4.107 8.141 ( 0.172 2.598 -1.709) 3.115 8.203 ( 1.194 -2.639 -0.122) 2.899 8.240 ( -0.496 1.585 -0.046) 1.661 8.283 ( -1.640 -2.506 -0.172) 3.000 8.344 ( 1.160 1.136 1.611) 2.288 8.384 ( -1.736 -1.439 4.260) 4.820 8.442 ( -2.391 0.625 4.731) 5.338 8.481 ( -0.443 -2.528 2.635) 3.678 8.528 ( 0.622 1.651 1.978) 2.651 8.579 ( 2.221 -1.745 2.168) 3.561 8.603 ( 0.666 2.066 4.439) 4.942 8.653 ( 1.136 -2.049 3.493) 4.206 8.741 ( -1.477 1.827 1.333) 2.701 8.780 ( -3.258 1.155 -0.702) 3.528 8.806 ( 0.144 -1.390 5.757) 5.924 8.862 ( -1.418 -3.496 1.548) 4.078 8.922 ( 0.923 2.835 3.478) 4.581 8.940 ( -0.651 1.537 5.467) 5.716 8.998 ( -2.644 1.828 2.817) 4.274 9.026 ( -1.066 -0.284 4.902) 5.024 9.092 ( -2.729 1.747 6.067) 6.878 9.133 ( -1.749 -1.413 3.852) 4.460 9.185 ( 0.823 3.068 2.197) 3.863 9.238 ( -0.270 1.052 1.440) 1.803 9.262 ( 1.078 0.311 0.473) 1.217 9.301 ( -1.314 5.239 1.618) 5.638 9.385 ( -1.924 -2.091 0.760) 2.941 9.480 ( -0.086 -3.406 1.697) 3.806 9.644 ( -0.374 2.847 0.066) 2.872 9.675 ( 0.008 -1.186 -1.089) 1.610 9.773 ( -2.767 3.608 0.786) 4.615 9.819 ( 0.192 0.171 1.612) 1.632 9.873 ( -1.616 -1.808 0.886) 2.582 9.899 ( -0.721 0.150 4.123) 4.188 9.939 ( -2.526 -2.303 0.220) 3.425 9.997 ( -0.434 -2.944 3.498) 4.593 10.093 ( 1.061 1.586 1.741) 2.584 10.162 ( 0.760 -2.313 1.427) 2.823 10.216 ( 1.361 0.846 -0.107) 1.606 10.282 ( 0.398 -4.070 2.665) 4.881 10.347 ( -0.602 0.702 1.026) 1.381 10.363 ( -3.007 -0.373 -0.501) 3.071 10.476 ( 2.301 0.120 -1.628) 2.821 10.517 ( 0.748 -3.806 -0.758) 3.952 10.710 ( 1.394 4.382 -1.874) 4.965 10.761 ( -1.583 -0.501 -0.710) 1.806 10.896 ( -6.922 1.567 -0.678) 7.129 10.930 ( -7.509 -1.447 -1.546) 7.802 11.383 ( 1.365 9.033 -4.248) 10.075 11.547 ( 4.840 -0.487 -3.366) 5.915 11.607 ( -3.107 -0.318 -5.715) 6.513 11.664 ( -0.619 4.290 -4.396) 6.173 11.754 ( 0.363 -7.059 -5.305) 8.837 11.811 ( 1.057 -8.460 -4.042) 9.435 12.052 ( 2.719 2.664 -10.053) 10.750 12.128 ( 4.167 -2.869 -6.965) 8.609 12.207 ( 2.964 4.101 -12.206) 13.214 12.305 ( 2.871 -4.085 -12.915) 13.846 12.386 ( 8.680 2.023 -7.694) 11.775 12.448 ( 7.309 -4.443 -6.876) 10.975 12.612 ( -0.069 3.139 -3.414) 4.638 12.695 ( 1.328 -3.867 -1.442) 4.336 12.758 ( -1.469 2.164 2.987) 3.970 12.813 ( -0.736 -2.929 0.777) 3.118 12.919 ( 0.153 7.296 4.282) 8.461 13.025 ( -0.581 -1.649 2.360) 2.937 13.190 ( -0.223 3.975 -1.729) 4.340 13.265 ( -2.279 -4.234 5.496) 7.302 13.361 ( 0.507 3.956 -2.367) 4.638 13.454 ( -2.419 -0.227 -5.200) 5.739 13.520 ( -0.299 3.967 -6.802) 7.880 13.623 ( -0.778 3.627 3.225) 4.915 13.702 ( 0.254 0.104 -1.570) 1.594 13.867 ( 1.817 -8.378 -2.584) 8.953 13.996 ( -1.283 5.269 3.472) 6.439 14.071 ( -0.667 -1.090 5.230) 5.384 14.226 ( 0.343 -2.888 -0.649) 2.979 14.234 ( -1.558 -3.607 -0.002) 3.929 14.391 ( -0.315 2.179 1.401) 2.610 14.446 ( -0.204 -2.885 1.870) 3.444 14.618 ( -0.935 3.118 3.852) 5.044 14.662 ( -0.755 1.045 5.803) 5.945 14.770 ( -0.331 -0.735 0.499) 0.948 14.795 ( -0.021 -2.049 -0.465) 2.101 14.968 ( -0.448 3.636 1.972) 4.160 15.054 ( -1.324 -4.312 3.979) 6.015 15.156 ( -0.064 3.061 3.664) 4.775 15.182 ( 0.397 -0.119 3.946) 3.968 15.295 ( -0.922 2.496 2.331) 3.537 15.366 ( 0.205 -4.565 1.619) 4.848 15.500 ( -1.419 3.396 4.908) 6.135 15.643 ( 0.966 -7.479 1.159) 7.629 15.919 ( 1.394 6.466 -2.154) 6.956 16.023 ( -0.178 -3.604 -1.798) 4.031 16.267 ( -0.536 16.508 -7.240) 18.034 16.587 ( 2.364 -13.291 -9.624) 16.579 ======================= Grid point 32 (20/50) ======================= q-point: (-0.43 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -5.384 0.893 -6.588) 8.555 1.196 ( -5.686 -3.323 -9.710) 11.733 1.479 ( -15.043 4.640 -6.251) 16.938 1.592 ( -8.255 -0.864 -6.556) 10.578 1.669 ( -5.637 -1.280 -2.871) 6.454 1.716 ( -7.103 -7.007 -4.593) 10.984 1.899 ( -4.401 6.135 -3.627) 8.376 1.993 ( -2.351 -0.919 -10.868) 11.157 2.055 ( 2.208 4.368 -1.057) 5.007 2.153 ( 1.126 0.187 -2.898) 3.115 2.230 ( 4.375 -1.847 -1.171) 4.891 2.282 ( 5.258 2.542 -3.135) 6.629 2.294 ( 5.305 -4.128 -0.987) 6.794 2.385 ( 0.869 -5.621 -1.802) 5.967 2.428 ( 4.942 5.685 -2.241) 7.859 2.488 ( 2.694 1.049 -4.944) 5.727 2.545 ( 5.427 -4.196 -1.651) 7.056 2.625 ( 1.257 -0.433 -2.939) 3.226 2.660 ( 2.803 1.031 2.986) 4.223 2.717 ( 2.638 1.552 -0.657) 3.131 2.764 ( -1.189 -1.047 0.270) 1.607 2.857 ( 0.285 -5.885 -0.705) 5.934 2.907 ( -0.374 6.280 -2.373) 6.723 2.982 ( -0.140 1.848 -1.036) 2.123 3.044 ( -3.190 4.477 -0.341) 5.508 3.109 ( -2.458 3.067 2.114) 4.463 3.146 ( -1.509 1.818 -1.875) 3.017 3.209 ( -0.300 2.932 1.883) 3.497 3.241 ( -0.703 -4.462 -2.891) 5.363 3.292 ( -2.298 3.414 0.689) 4.173 3.296 ( -1.913 -0.228 -5.812) 6.122 3.423 ( -3.269 -5.424 -4.189) 7.593 3.497 ( 3.486 0.725 4.972) 6.116 3.530 ( -0.091 -0.244 1.151) 1.180 3.568 ( -1.467 0.822 0.407) 1.730 3.580 ( 1.034 -2.318 3.253) 4.126 3.652 ( -0.202 -2.978 1.842) 3.507 3.699 ( 1.030 -3.315 0.481) 3.505 3.774 ( 1.438 2.051 1.085) 2.730 3.821 ( 1.603 -2.043 -1.434) 2.967 3.908 ( -0.001 -1.251 -2.585) 2.871 3.917 ( 1.768 0.056 -0.479) 1.832 3.951 ( 0.485 -0.248 2.438) 2.498 4.026 ( 0.674 -0.273 -0.234) 0.763 4.096 ( 2.336 2.105 0.486) 3.182 4.156 ( -0.258 -4.056 -1.328) 4.276 4.231 ( 1.353 3.586 -4.064) 5.586 4.279 ( -0.810 -1.472 3.878) 4.226 4.325 ( 1.612 0.229 -3.970) 4.291 4.370 ( 1.941 -3.244 5.406) 6.596 4.418 ( -0.179 2.141 -2.683) 3.438 4.466 ( 1.509 1.821 -7.343) 7.714 4.498 ( -0.172 -2.327 -3.981) 4.614 4.542 ( -1.150 -3.083 -7.124) 7.847 4.628 ( -0.480 -0.508 -4.444) 4.499 4.672 ( -0.971 -2.033 -1.407) 2.656 4.780 ( -0.258 4.339 -1.889) 4.739 4.824 ( -0.551 -0.479 -2.750) 2.845 4.899 ( 1.605 3.864 0.430) 4.206 4.937 ( -0.011 3.801 4.352) 5.778 4.977 ( -0.167 0.295 3.579) 3.595 5.030 ( 1.431 -4.106 2.976) 5.269 5.074 ( -2.678 2.958 6.448) 7.582 5.163 ( 0.626 -3.922 0.538) 4.008 5.244 ( -0.449 3.312 1.688) 3.745 5.302 ( -2.192 -0.777 0.875) 2.485 5.375 ( 0.183 -0.597 0.801) 1.016 5.405 ( 0.006 -2.635 1.474) 3.020 5.492 ( -1.585 1.185 3.476) 4.000 5.525 ( -0.412 3.386 1.034) 3.564 5.590 ( -0.716 -4.389 4.723) 6.487 5.651 ( 0.353 -4.288 -1.589) 4.587 5.664 ( -0.779 1.422 2.335) 2.843 5.715 ( 1.097 -2.428 -0.550) 2.720 5.752 ( 0.222 2.444 -1.990) 3.159 5.811 ( -0.339 -1.119 -2.665) 2.910 5.939 ( 1.359 2.511 -1.795) 3.373 5.983 ( 2.177 0.048 -0.788) 2.315 6.059 ( -1.373 3.120 -0.333) 3.425 6.080 ( -1.246 0.047 -0.254) 1.273 6.175 ( 0.255 1.619 -0.369) 1.680 6.195 ( 0.593 0.130 -0.463) 0.764 6.239 ( 1.276 2.931 -1.884) 3.710 6.315 ( 1.618 0.872 2.333) 2.970 6.330 ( 2.795 -2.357 0.078) 3.657 6.368 ( 2.480 -2.275 0.806) 3.460 6.441 ( 0.285 1.272 0.818) 1.539 6.474 ( -0.803 -0.232 1.471) 1.692 6.570 ( -1.946 1.580 0.908) 2.666 6.583 ( -0.686 -1.538 -0.105) 1.687 6.627 ( 0.670 1.258 1.955) 2.419 6.681 ( 0.349 -2.896 0.454) 2.952 6.753 ( -1.177 1.235 -0.523) 1.785 6.768 ( -2.571 0.456 -1.386) 2.956 6.808 ( -2.953 1.294 1.968) 3.777 6.863 ( -1.924 -1.800 0.266) 2.648 6.916 ( -1.030 4.535 0.463) 4.674 6.953 ( -2.858 0.316 3.166) 4.277 7.015 ( -2.706 4.627 1.152) 5.483 7.084 ( -2.705 0.396 0.903) 2.879 7.124 ( -2.214 -4.501 -0.655) 5.059 7.177 ( -0.002 -3.438 -3.124) 4.645 7.194 ( -0.656 2.773 1.705) 3.321 7.227 ( 0.338 0.703 2.347) 2.473 7.296 ( 0.024 2.030 -1.237) 2.378 7.359 ( -1.204 -0.314 -1.694) 2.102 7.399 ( -3.300 0.916 -3.435) 4.850 7.497 ( -2.004 -5.423 -1.606) 6.001 7.541 ( -1.133 0.610 -0.161) 1.297 7.598 ( 0.321 -3.987 1.447) 4.254 7.646 ( -0.033 0.303 2.431) 2.450 7.666 ( 0.865 -1.351 0.785) 1.786 7.744 ( -1.182 2.623 -1.448) 3.221 7.802 ( -1.143 -2.066 -0.226) 2.372 7.845 ( 1.995 1.114 1.961) 3.011 7.870 ( -0.726 -0.799 4.065) 4.206 7.935 ( -0.221 1.935 2.797) 3.408 7.971 ( 1.944 -0.369 1.417) 2.434 8.003 ( 1.619 0.358 -1.744) 2.406 8.062 ( 1.311 -2.869 -1.403) 3.452 8.145 ( 0.791 3.732 0.558) 3.855 8.219 ( -2.410 -2.962 1.636) 4.154 8.266 ( 3.027 0.788 -0.368) 3.150 8.280 ( 2.373 -1.335 1.314) 3.024 8.347 ( -2.282 1.575 2.829) 3.962 8.381 ( -1.309 -0.091 3.181) 3.441 8.413 ( -2.127 0.626 1.491) 2.672 8.469 ( -2.227 -2.107 2.931) 4.241 8.543 ( -0.890 1.725 1.506) 2.457 8.576 ( -1.271 1.012 -0.487) 1.696 8.616 ( -0.133 -1.472 0.508) 1.563 8.691 ( -0.352 -2.722 5.154) 5.840 8.731 ( -1.266 1.727 5.382) 5.792 8.761 ( -1.654 -1.991 3.091) 4.032 8.817 ( -1.639 0.123 4.062) 4.382 8.826 ( -0.412 -0.530 2.981) 3.056 8.952 ( -0.242 5.389 2.597) 5.987 8.989 ( 2.817 2.931 6.769) 7.896 9.027 ( 1.052 -0.365 5.940) 6.044 9.046 ( 2.518 -1.264 5.959) 6.591 9.112 ( -0.421 3.243 5.196) 6.140 9.175 ( 2.997 -2.220 3.974) 5.450 9.210 ( 1.422 1.442 3.263) 3.840 9.258 ( 1.264 -0.859 3.516) 3.834 9.311 ( 3.507 0.201 4.785) 5.936 9.337 ( 1.807 3.066 2.393) 4.288 9.371 ( 1.367 -1.688 0.557) 2.242 9.476 ( -1.191 -4.543 1.403) 4.902 9.631 ( -0.070 2.129 -0.487) 2.185 9.667 ( -0.651 -1.492 -2.890) 3.317 9.727 ( -2.019 1.967 -0.179) 2.824 9.793 ( -1.905 -3.133 -0.955) 3.789 9.836 ( -3.705 3.924 2.155) 5.811 9.883 ( -1.480 -0.153 -0.493) 1.568 9.900 ( -1.785 1.403 2.863) 3.654 10.026 ( 0.508 -5.385 2.855) 6.116 10.097 ( -0.807 1.030 1.289) 1.836 10.161 ( -1.009 -3.045 0.942) 3.343 10.213 ( -0.425 2.418 1.935) 3.126 10.274 ( -1.101 -2.310 4.178) 4.900 10.361 ( 2.260 1.950 0.286) 2.999 10.425 ( 3.750 -2.009 0.497) 4.283 10.498 ( -1.158 -1.310 -0.817) 1.930 10.525 ( 1.519 -2.242 -0.860) 2.841 10.693 ( -0.408 2.867 -5.081) 5.848 10.740 ( -1.109 -1.437 -5.030) 5.348 10.794 ( -1.469 1.549 -2.136) 3.020 10.807 ( -1.136 0.381 -1.431) 1.866 11.367 ( -0.100 8.495 -5.262) 9.994 11.503 ( -2.708 -0.600 -5.601) 6.251 11.624 ( 3.344 1.640 -5.369) 6.534 11.677 ( 4.307 0.802 -4.038) 5.958 11.765 ( 2.933 -4.400 -4.705) 7.077 11.831 ( 2.658 -7.247 -2.357) 8.072 12.063 ( 3.472 1.537 -9.641) 10.362 12.161 ( 3.681 -5.347 -10.037) 11.953 12.231 ( 4.724 4.192 -8.531) 10.614 12.329 ( 5.121 -4.456 -8.817) 11.127 12.490 ( 4.400 1.197 -6.187) 7.686 12.535 ( 3.871 -2.048 -6.501) 7.839 12.613 ( 1.667 4.021 -1.800) 4.710 12.714 ( 1.380 -3.039 0.828) 3.439 12.762 ( 0.368 1.719 3.520) 3.935 12.812 ( 0.700 -2.189 2.399) 3.323 12.945 ( 1.466 7.523 -0.498) 7.681 13.021 ( 0.909 1.200 -2.817) 3.194 13.175 ( -1.754 1.169 0.213) 2.118 13.235 ( -3.382 -5.268 2.596) 6.777 13.349 ( -2.067 -0.430 0.596) 2.193 13.358 ( -4.006 -0.841 -3.054) 5.107 13.487 ( 0.864 8.505 -3.419) 9.207 13.624 ( -0.330 3.526 0.458) 3.571 13.692 ( -0.454 -0.121 -2.254) 2.302 13.865 ( -0.235 -8.333 -3.881) 9.195 13.982 ( -1.896 5.167 3.494) 6.520 14.069 ( -2.136 -2.191 4.644) 5.562 14.200 ( -0.416 -1.058 -3.329) 3.518 14.234 ( 0.150 -4.004 -0.005) 4.007 14.393 ( -0.460 2.007 1.856) 2.772 14.446 ( -0.952 -2.839 2.109) 3.662 14.617 ( -1.000 3.391 3.452) 4.941 14.673 ( -1.229 0.569 5.083) 5.260 14.757 ( -0.876 -0.566 -0.861) 1.353 14.789 ( -0.330 -2.781 -0.103) 2.802 14.972 ( -0.340 3.908 2.232) 4.513 15.049 ( -1.326 -2.826 3.420) 4.630 15.161 ( -1.273 3.029 3.982) 5.162 15.198 ( -1.206 -0.475 4.906) 5.074 15.286 ( -1.035 2.182 1.812) 3.019 15.357 ( -2.002 -5.225 1.053) 5.694 15.502 ( -1.029 3.428 4.956) 6.113 15.630 ( -2.686 -6.131 0.379) 6.704 15.916 ( 0.015 7.565 -1.678) 7.749 16.044 ( 2.677 -4.262 -0.974) 5.126 16.300 ( 6.900 14.967 -5.660) 17.426 16.603 ( 4.237 -12.967 -8.930) 16.305 ======================= Grid point 33 (21/50) ======================= q-point: (-0.29 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( -12.726 6.379 -9.648) 17.196 1.011 ( -11.497 4.151 -7.692) 14.442 1.178 ( -10.018 -5.769 -2.225) 11.773 1.372 ( -7.523 -12.119 -11.845) 18.541 1.555 ( -4.895 -0.629 2.344) 5.464 1.597 ( -4.688 -6.212 -0.432) 7.794 1.796 ( -3.518 7.986 -2.764) 9.154 1.888 ( -2.913 1.013 -8.066) 8.636 2.032 ( -6.271 8.109 -0.072) 10.251 2.121 ( 0.330 -1.508 -9.733) 9.855 2.192 ( -4.403 3.973 -7.165) 9.301 2.297 ( -0.392 4.629 -4.367) 6.376 2.366 ( -0.829 -4.683 -2.967) 5.605 2.376 ( 2.329 2.107 -3.125) 4.431 2.491 ( -0.467 2.920 -2.447) 3.838 2.504 ( 1.435 -2.141 -2.063) 3.302 2.608 ( 0.396 3.045 -4.166) 5.176 2.680 ( 6.919 -0.724 -2.730) 7.473 2.716 ( 1.506 0.394 0.327) 1.591 2.723 ( -0.627 -2.334 -3.555) 4.299 2.794 ( 4.312 2.331 -4.098) 6.389 2.863 ( 3.701 -0.551 2.163) 4.322 2.918 ( 0.317 2.610 -0.997) 2.812 2.976 ( -1.062 2.768 -1.244) 3.216 3.001 ( 0.519 -5.010 2.275) 5.527 3.024 ( -5.785 -4.038 1.287) 7.171 3.056 ( -3.939 0.843 -3.109) 5.088 3.137 ( -4.319 -4.294 -0.822) 6.145 3.219 ( 0.367 -4.655 -4.715) 6.636 3.246 ( -4.355 -4.435 0.592) 6.244 3.327 ( 2.506 3.574 2.674) 5.119 3.387 ( 0.317 -0.721 0.274) 0.834 3.450 ( -4.480 2.403 -2.262) 5.564 3.510 ( -2.598 -0.646 -1.905) 3.286 3.558 ( -1.651 0.139 2.801) 3.254 3.616 ( -1.319 -0.258 1.667) 2.141 3.652 ( -0.141 -2.864 5.359) 6.078 3.718 ( -1.227 -5.243 -0.225) 5.389 3.811 ( 0.104 0.838 0.239) 0.877 3.832 ( -0.084 1.044 0.213) 1.069 3.889 ( 1.623 -0.756 -1.139) 2.121 3.918 ( -1.640 -2.960 -0.455) 3.415 3.960 ( -0.280 2.824 2.132) 3.549 4.057 ( 1.931 -1.600 -2.846) 3.794 4.118 ( 0.106 2.467 1.529) 2.904 4.170 ( 1.546 -0.764 -2.771) 3.264 4.225 ( -0.830 5.185 0.728) 5.302 4.287 ( -1.666 -1.168 1.670) 2.632 4.319 ( 0.259 5.737 -1.070) 5.841 4.383 ( 1.663 1.165 -4.285) 4.741 4.423 ( 1.262 0.891 -7.382) 7.542 4.440 ( -0.749 -1.009 -3.496) 3.715 4.488 ( 1.167 -5.762 -0.832) 5.937 4.539 ( 1.700 -2.821 -7.161) 7.882 4.618 ( 2.275 -0.036 -0.695) 2.379 4.682 ( 2.835 -2.313 -3.431) 5.016 4.738 ( -1.943 3.397 -3.350) 5.152 4.802 ( -0.651 -0.879 -0.757) 1.330 4.882 ( -3.333 4.664 1.643) 5.964 4.941 ( -4.489 -0.367 8.384) 9.517 4.977 ( -0.319 0.843 2.586) 2.739 5.045 ( -1.593 -6.312 2.896) 7.125 5.081 ( -0.400 4.165 3.604) 5.522 5.175 ( -2.130 -1.983 5.598) 6.309 5.228 ( -1.980 0.792 2.400) 3.211 5.261 ( -0.216 -0.491 0.013) 0.536 5.386 ( 1.065 -0.098 -0.516) 1.188 5.420 ( 2.234 -1.215 -1.559) 2.983 5.496 ( -0.972 3.488 2.380) 4.333 5.525 ( 1.046 1.539 1.005) 2.115 5.608 ( 0.996 -3.518 1.919) 4.129 5.636 ( -0.913 -7.491 1.022) 7.615 5.680 ( 0.259 3.511 3.163) 4.733 5.745 ( 1.367 -1.738 2.540) 3.367 5.785 ( 3.542 1.010 -2.232) 4.307 5.827 ( 2.772 -1.900 -2.200) 4.016 5.956 ( 0.034 3.034 0.372) 3.057 6.004 ( 0.835 -0.332 -2.927) 3.062 6.034 ( -0.080 0.970 0.675) 1.185 6.061 ( 0.930 0.748 -3.999) 4.173 6.140 ( -1.629 3.489 -0.104) 3.852 6.213 ( 0.068 0.215 -0.228) 0.321 6.280 ( -0.639 -1.314 0.040) 1.461 6.333 ( 3.025 -3.550 2.170) 5.144 6.375 ( 0.951 1.413 0.271) 1.725 6.422 ( 1.508 -1.121 -1.010) 2.133 6.458 ( 1.734 2.392 0.171) 2.959 6.505 ( 2.359 1.524 2.174) 3.551 6.517 ( -1.764 0.955 1.022) 2.251 6.571 ( 1.001 -3.164 -0.633) 3.378 6.660 ( -0.093 2.656 2.150) 3.419 6.674 ( -0.543 1.775 0.323) 1.884 6.712 ( -1.733 3.061 1.597) 3.863 6.756 ( -0.436 -0.843 3.496) 3.623 6.813 ( 0.900 2.424 2.406) 3.532 6.838 ( -1.028 0.462 -4.169) 4.319 6.884 ( -2.412 0.519 1.017) 2.669 6.909 ( -1.796 -2.205 1.759) 3.343 6.961 ( -2.738 2.177 -1.003) 3.639 7.034 ( -2.431 5.172 -0.716) 5.759 7.066 ( -3.410 -3.325 -2.884) 5.568 7.110 ( -5.626 1.067 -2.222) 6.142 7.150 ( -2.903 -1.251 0.221) 3.168 7.223 ( -2.402 -4.363 -2.133) 5.418 7.251 ( -1.703 4.726 -0.755) 5.080 7.312 ( -0.975 -0.775 -0.337) 1.290 7.390 ( 1.834 0.613 -1.447) 2.415 7.461 ( -0.997 -2.619 0.924) 2.951 7.498 ( -4.487 -0.128 -0.274) 4.498 7.560 ( -5.432 -2.677 -1.256) 6.185 7.649 ( 0.246 1.360 1.159) 1.804 7.678 ( 0.061 -0.293 -0.688) 0.750 7.736 ( -0.997 0.336 -0.723) 1.276 7.754 ( -1.511 -2.381 -0.288) 2.835 7.839 ( -2.706 3.924 3.624) 5.988 7.893 ( 1.157 -0.056 0.815) 1.416 7.954 ( -0.313 -1.125 4.773) 4.914 8.007 ( 1.328 -3.721 2.277) 4.561 8.061 ( 2.900 2.393 -0.489) 3.792 8.116 ( 2.948 -2.496 -0.938) 3.975 8.179 ( 1.657 2.790 0.365) 3.265 8.199 ( 0.275 0.995 3.929) 4.063 8.255 ( -4.344 -0.488 0.343) 4.384 8.271 ( -5.018 -1.485 2.876) 5.971 8.342 ( 2.241 2.226 1.371) 3.443 8.379 ( 1.790 -0.550 2.310) 2.973 8.416 ( 1.624 1.528 0.982) 2.436 8.445 ( 0.171 1.909 -0.360) 1.950 8.525 ( -0.440 -0.093 2.025) 2.074 8.596 ( 1.658 -1.626 2.048) 3.096 8.624 ( -0.679 -2.401 1.103) 2.728 8.663 ( -3.929 -3.663 4.572) 7.054 8.720 ( -2.136 4.007 5.704) 7.291 8.759 ( -0.900 1.333 7.428) 7.601 8.821 ( 0.222 -0.834 3.288) 3.399 8.866 ( 0.820 -1.743 4.085) 4.516 8.976 ( 0.728 5.595 1.576) 5.859 9.036 ( -0.607 1.349 8.193) 8.326 9.056 ( -2.795 0.821 6.801) 7.398 9.121 ( 1.972 1.015 2.639) 3.447 9.152 ( 3.212 0.034 3.958) 5.097 9.213 ( -1.153 -6.031 4.086) 7.376 9.276 ( 0.316 0.237 2.323) 2.356 9.317 ( 2.435 -5.089 2.952) 6.367 9.360 ( 0.439 0.513 1.247) 1.419 9.409 ( 1.941 -3.235 3.258) 4.985 9.454 ( 3.760 1.709 4.658) 6.225 9.477 ( 2.105 -1.433 2.485) 3.559 9.602 ( -2.992 1.058 -2.509) 4.045 9.634 ( -0.399 -1.658 -1.585) 2.328 9.704 ( -1.204 0.837 2.366) 2.784 9.740 ( -2.890 0.225 1.376) 3.209 9.814 ( 1.554 5.720 1.618) 6.144 9.880 ( 0.140 0.617 1.304) 1.449 9.903 ( 2.524 1.217 2.104) 3.505 10.005 ( -2.004 -4.895 0.375) 5.303 10.128 ( 1.629 2.661 2.809) 4.198 10.189 ( 2.711 -1.733 4.906) 5.867 10.208 ( -0.082 0.769 1.549) 1.731 10.268 ( -0.765 -3.583 3.974) 5.405 10.402 ( 1.728 2.181 0.192) 2.789 10.463 ( 2.811 -2.487 -1.022) 3.890 10.512 ( 1.899 1.974 -0.312) 2.757 10.550 ( 2.226 -1.720 -0.539) 2.864 10.683 ( 4.026 2.367 -7.592) 8.914 10.732 ( 4.076 -2.391 -6.002) 7.639 10.808 ( 2.045 2.319 0.171) 3.097 10.838 ( 3.159 -0.048 0.140) 3.162 11.354 ( 1.859 5.342 -4.769) 7.399 11.455 ( 0.715 -2.368 -5.177) 5.737 11.648 ( 1.939 3.426 -5.439) 6.714 11.731 ( 3.143 -0.700 -6.202) 6.988 11.786 ( 0.741 -1.738 -3.087) 3.619 11.881 ( 3.107 -6.650 -2.414) 7.727 12.077 ( 3.075 2.334 -11.092) 11.745 12.179 ( 3.592 -3.599 -10.575) 11.734 12.269 ( 3.976 3.807 -10.593) 11.938 12.363 ( 0.277 -2.609 -7.274) 7.733 12.473 ( -1.397 -0.074 -3.815) 4.064 12.543 ( 0.535 -3.997 -3.813) 5.550 12.633 ( 1.227 3.356 -3.491) 4.995 12.719 ( -2.128 -2.766 1.529) 3.810 12.799 ( 0.379 3.332 3.960) 5.189 12.857 ( 0.060 -0.444 4.438) 4.461 12.963 ( 3.060 6.299 -10.070) 12.265 13.056 ( 1.063 1.268 -2.110) 2.682 13.108 ( 2.073 -1.042 -12.662) 12.873 13.186 ( -2.415 -4.732 5.718) 7.806 13.297 ( -2.296 -0.990 3.354) 4.183 13.316 ( -2.446 -2.239 4.390) 5.501 13.530 ( 4.071 6.308 -1.508) 7.658 13.614 ( -0.564 5.448 0.724) 5.524 13.664 ( -1.064 0.683 -2.390) 2.703 13.828 ( -0.638 -7.344 -5.280) 9.067 13.968 ( -1.398 3.777 4.283) 5.879 14.044 ( -2.934 -2.740 5.443) 6.763 14.184 ( 0.419 0.291 -3.532) 3.569 14.225 ( -0.936 -3.741 -1.622) 4.183 14.392 ( -0.729 1.478 2.255) 2.793 14.434 ( -1.307 -2.417 2.346) 3.613 14.612 ( -1.380 2.412 2.812) 3.954 14.657 ( -2.842 -0.233 3.696) 4.668 14.735 ( -0.231 1.264 -2.703) 2.992 14.783 ( -0.423 -3.273 0.142) 3.303 14.966 ( -1.843 4.141 2.979) 5.424 15.041 ( -1.343 -2.609 3.747) 4.759 15.157 ( -1.242 2.454 4.595) 5.356 15.193 ( -1.806 -0.847 5.785) 6.119 15.272 ( -1.335 0.538 0.824) 1.659 15.308 ( -3.217 -3.794 1.279) 5.136 15.509 ( -1.199 1.577 4.555) 4.967 15.557 ( -4.231 -0.870 1.346) 4.525 15.929 ( 1.548 10.471 -0.078) 10.585 16.104 ( 4.413 -6.549 -1.845) 8.110 16.439 ( 9.974 9.952 -5.832) 15.249 16.657 ( 6.183 -10.168 -9.206) 15.045 ======================= Grid point 34 (22/50) ======================= q-point: (-0.14 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( -13.979 17.703 -6.523) 23.481 0.762 ( -9.926 19.475 5.590) 22.562 1.095 ( 2.300 -25.066 -6.726) 26.055 1.212 ( -4.093 -20.228 -9.740) 22.821 1.479 ( -6.673 3.956 2.512) 8.154 1.537 ( 1.522 -1.493 0.374) 2.164 1.707 ( -7.527 19.569 11.792) 24.056 1.828 ( 1.047 7.292 -4.196) 8.478 1.900 ( -1.888 1.900 -5.765) 6.357 2.076 ( -3.350 3.638 -5.351) 7.287 2.103 ( 2.086 -1.857 -9.129) 9.547 2.279 ( 1.643 9.839 -10.670) 14.606 2.324 ( -0.366 -5.744 -1.882) 6.056 2.403 ( -2.014 -3.058 1.468) 3.945 2.436 ( -0.012 1.963 -7.243) 7.504 2.507 ( -0.294 -6.721 -1.550) 6.904 2.561 ( -2.590 -2.259 -3.901) 5.199 2.637 ( -3.380 -5.453 -5.691) 8.576 2.716 ( 0.554 2.071 -3.733) 4.305 2.769 ( 2.800 -1.085 -5.539) 6.301 2.839 ( 0.174 1.054 -5.394) 5.499 2.883 ( -1.623 1.392 -1.230) 2.466 2.894 ( -1.759 1.474 0.690) 2.396 2.948 ( -0.920 -1.493 -2.104) 2.739 2.995 ( 3.734 -1.714 -0.838) 4.193 3.039 ( 2.288 -2.954 -0.428) 3.760 3.067 ( 1.918 -1.456 2.494) 3.467 3.097 ( 1.863 -2.954 -3.183) 4.725 3.180 ( -0.231 -4.627 -3.664) 5.906 3.186 ( -2.717 -2.315 0.152) 3.573 3.315 ( -4.781 3.032 -1.982) 5.998 3.359 ( -2.546 -0.972 -5.781) 6.391 3.394 ( -0.020 3.554 0.237) 3.562 3.451 ( -1.786 1.877 -1.955) 3.245 3.496 ( -4.685 0.564 2.032) 5.138 3.575 ( -4.120 -0.415 -1.114) 4.288 3.638 ( -2.960 -1.244 -1.249) 3.445 3.674 ( -0.515 -1.899 0.795) 2.122 3.767 ( -3.822 0.999 -0.190) 3.955 3.821 ( -2.115 -3.029 -1.108) 3.857 3.878 ( -1.045 0.445 1.109) 1.587 3.906 ( -0.692 -2.269 0.989) 2.570 4.000 ( 1.383 2.250 2.767) 3.826 4.054 ( -2.377 -0.807 2.787) 3.751 4.127 ( -3.822 4.232 -1.357) 5.862 4.152 ( 0.422 2.526 -0.117) 2.564 4.181 ( -1.930 -1.056 -3.320) 3.983 4.231 ( -0.184 -3.303 -2.837) 4.358 4.321 ( -0.101 3.112 -2.334) 3.891 4.407 ( 2.802 4.521 -5.773) 7.850 4.419 ( 1.900 3.108 -9.757) 10.415 4.442 ( 1.848 0.632 -2.027) 2.815 4.505 ( 1.019 -5.267 2.420) 5.885 4.554 ( 4.189 -5.295 -4.042) 7.869 4.623 ( -1.212 6.798 -0.886) 6.962 4.709 ( -0.190 1.713 1.759) 2.463 4.728 ( 1.821 -3.318 -3.139) 4.917 4.790 ( -1.327 -1.827 2.404) 3.298 4.839 ( -1.429 4.308 3.383) 5.661 4.906 ( -2.391 -2.740 6.163) 7.156 4.959 ( -2.990 -0.899 2.438) 3.961 5.020 ( -3.084 -5.621 4.613) 7.899 5.068 ( -0.641 3.227 1.111) 3.473 5.143 ( -2.728 -1.870 5.187) 6.152 5.225 ( -0.481 2.885 4.698) 5.534 5.285 ( 0.791 -2.075 1.709) 2.802 5.408 ( -0.283 5.334 2.259) 5.800 5.458 ( -2.002 0.008 0.857) 2.178 5.477 ( 1.698 -0.058 1.544) 2.296 5.553 ( -2.073 -2.409 3.492) 4.722 5.610 ( 2.901 -0.257 -2.507) 3.843 5.662 ( 0.329 -3.657 2.751) 4.588 5.705 ( 1.136 1.391 -0.820) 1.975 5.770 ( 1.599 -1.956 -0.689) 2.618 5.817 ( 1.228 2.475 -4.846) 5.578 5.896 ( 3.527 -3.577 -0.577) 5.056 5.954 ( 1.253 3.783 -1.650) 4.313 6.020 ( 2.356 -0.899 0.477) 2.566 6.063 ( 2.387 0.861 -2.103) 3.296 6.093 ( 3.107 -1.528 4.469) 5.653 6.154 ( 4.005 1.127 -0.017) 4.161 6.194 ( 0.286 -1.403 -2.191) 2.618 6.271 ( -0.107 3.690 -1.359) 3.934 6.346 ( -2.536 -0.223 -0.911) 2.704 6.385 ( -1.307 1.220 1.478) 2.320 6.440 ( 0.153 -1.194 0.023) 1.203 6.489 ( -0.164 1.791 0.781) 1.961 6.511 ( -1.423 0.314 1.929) 2.418 6.559 ( 3.395 0.577 -0.391) 3.465 6.580 ( 0.145 -1.095 -0.915) 1.435 6.643 ( -0.678 3.156 -1.186) 3.439 6.675 ( 0.736 1.173 2.938) 3.248 6.724 ( -0.838 1.880 -0.040) 2.059 6.777 ( -0.994 -1.333 -1.359) 2.147 6.799 ( 0.200 1.815 1.152) 2.159 6.818 ( 0.802 0.422 -0.542) 1.055 6.848 ( -2.486 2.318 1.366) 3.663 6.896 ( -1.334 2.282 1.156) 2.885 6.916 ( -2.255 -2.280 -0.685) 3.279 6.949 ( -1.898 -1.875 1.876) 3.262 6.988 ( -3.069 -0.283 -0.459) 3.115 7.041 ( -0.854 -1.997 0.534) 2.237 7.102 ( -2.414 1.188 0.039) 2.691 7.170 ( -0.629 -3.175 -3.268) 4.600 7.242 ( -1.524 2.690 0.092) 3.093 7.273 ( -2.085 0.728 -0.770) 2.339 7.375 ( -3.241 1.656 -0.702) 3.707 7.406 ( -5.362 -0.834 2.535) 5.989 7.422 ( -0.666 1.397 3.128) 3.490 7.518 ( 2.261 -3.298 -3.664) 5.423 7.604 ( -3.563 3.168 -1.463) 4.987 7.663 ( -1.936 2.290 0.537) 3.047 7.716 ( -0.015 0.696 1.005) 1.222 7.763 ( -0.585 -4.097 -1.402) 4.369 7.805 ( 0.062 2.502 1.525) 2.930 7.905 ( -2.176 -4.709 6.048) 7.968 7.955 ( -1.053 0.331 -0.535) 1.226 7.992 ( -3.369 -1.728 -1.307) 4.006 8.087 ( -2.310 1.831 2.224) 3.693 8.125 ( 0.019 0.296 3.645) 3.657 8.176 ( -0.158 0.918 0.210) 0.955 8.200 ( 0.767 -1.431 1.261) 2.056 8.259 ( 2.668 1.275 1.886) 3.507 8.287 ( 2.677 -1.164 2.347) 3.745 8.398 ( 0.583 2.206 -0.485) 2.333 8.415 ( 2.359 0.678 2.896) 3.797 8.465 ( 1.371 1.369 0.913) 2.142 8.492 ( 3.034 -0.681 1.100) 3.298 8.544 ( 1.246 0.376 1.895) 2.299 8.580 ( -2.620 -0.885 3.450) 4.421 8.624 ( -0.996 -5.428 1.892) 5.834 8.635 ( -0.252 -3.633 3.344) 4.944 8.741 ( 0.762 4.418 5.046) 6.750 8.783 ( -0.563 0.826 6.549) 6.625 8.851 ( 0.176 0.424 4.200) 4.225 8.881 ( -1.235 3.327 5.733) 6.742 8.972 ( -2.640 -3.777 2.962) 5.478 9.020 ( -1.975 0.749 1.988) 2.900 9.067 ( -0.276 -0.525 2.580) 2.648 9.137 ( -1.511 0.298 0.371) 1.585 9.199 ( -3.303 -6.301 9.185) 11.618 9.215 ( 1.229 -4.913 3.826) 6.347 9.254 ( -2.757 0.780 2.097) 3.551 9.297 ( -4.779 -6.259 2.683) 8.319 9.379 ( 1.082 2.470 -0.397) 2.726 9.401 ( -0.903 -0.036 -0.408) 0.992 9.504 ( 0.031 0.947 0.172) 0.963 9.527 ( 0.700 -0.413 -3.955) 4.037 9.578 ( 0.212 1.076 4.070) 4.215 9.615 ( -1.225 -1.267 3.436) 3.861 9.686 ( -1.512 2.782 2.302) 3.915 9.729 ( -0.816 -1.054 3.437) 3.686 9.837 ( -0.321 6.464 2.038) 6.785 9.931 ( 1.931 -0.947 1.430) 2.583 9.966 ( 0.915 0.575 1.747) 2.054 10.026 ( 4.276 -3.442 -0.159) 5.492 10.142 ( -1.124 2.663 3.869) 4.830 10.246 ( 0.786 -5.769 6.025) 8.379 10.339 ( 6.368 1.059 3.627) 7.405 10.368 ( 8.342 -0.956 3.149) 8.968 10.444 ( 4.221 2.467 1.824) 5.218 10.500 ( 2.645 -2.872 -0.367) 3.922 10.582 ( 6.362 4.191 -0.815) 7.662 10.613 ( 4.198 0.489 0.900) 4.321 10.794 ( 9.220 1.422 -2.562) 9.675 10.809 ( 6.111 0.726 -2.666) 6.707 10.871 ( 5.388 1.451 -0.968) 5.663 10.909 ( 4.498 -0.773 -0.615) 4.605 11.394 ( 4.819 5.161 -3.648) 7.948 11.467 ( 2.503 1.059 -4.499) 5.256 11.615 ( -3.709 -0.321 -4.659) 5.963 11.709 ( -2.379 -5.267 -5.981) 8.317 11.771 ( 0.474 3.585 -3.641) 5.131 11.888 ( -0.943 -7.487 -5.608) 9.402 12.063 ( 1.167 5.275 -10.047) 11.408 12.170 ( 0.104 0.301 -10.533) 10.538 12.225 ( -5.775 -0.308 -9.685) 11.281 12.285 ( 2.836 -0.974 -12.943) 13.285 12.443 ( 0.258 -0.008 -6.907) 6.912 12.505 ( -1.850 -6.717 -9.864) 12.076 12.618 ( 0.233 4.082 -4.588) 6.145 12.684 ( -2.311 -1.253 2.545) 3.659 12.778 ( -3.597 5.261 -0.042) 6.373 12.829 ( -3.746 1.992 3.611) 5.572 12.959 ( -2.204 0.130 -0.816) 2.354 12.979 ( -0.297 -1.439 -3.093) 3.425 13.197 ( 2.672 -0.164 0.622) 2.748 13.228 ( 6.681 -2.801 -3.558) 8.071 13.280 ( -0.093 0.579 0.388) 0.703 13.322 ( 1.458 -3.402 2.129) 4.270 13.570 ( 0.417 3.396 -0.077) 3.422 13.614 ( -0.848 -0.642 -2.579) 2.790 13.668 ( 3.519 8.076 0.391) 8.818 13.820 ( 1.513 -5.755 -0.494) 5.971 13.973 ( -0.925 2.295 5.093) 5.662 14.021 ( -2.629 -1.767 7.266) 7.927 14.167 ( -0.596 -0.174 -4.800) 4.840 14.187 ( -0.395 -2.046 -3.572) 4.136 14.393 ( -0.133 1.093 2.488) 2.721 14.428 ( -0.663 -1.998 3.013) 3.676 14.580 ( -3.154 1.376 2.747) 4.404 14.616 ( -3.043 -1.704 2.802) 4.474 14.721 ( 0.511 2.081 -3.756) 4.324 14.772 ( -0.856 -2.912 0.645) 3.103 14.950 ( -1.438 1.204 4.198) 4.598 15.017 ( -3.482 -3.911 4.654) 7.005 15.158 ( -1.864 2.328 4.238) 5.182 15.193 ( -1.615 -1.294 6.067) 6.410 15.241 ( -1.671 -0.753 2.287) 2.931 15.280 ( -0.336 -3.705 2.084) 4.264 15.488 ( -1.271 2.895 2.197) 3.850 15.527 ( -1.353 -0.833 3.812) 4.130 15.952 ( 0.629 12.769 -0.582) 12.798 16.190 ( 5.189 -10.101 -2.511) 11.630 16.597 ( 9.840 9.166 -8.522) 15.921 16.730 ( 6.029 -4.201 -11.733) 13.845 ======================= Grid point 42 (23/50) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 2.835 0.000 3.746) 4.698 1.019 ( 2.181 0.000 23.835) 23.934 1.172 ( 4.585 0.000 -12.875) 13.667 1.380 ( 6.778 0.000 -12.546) 14.259 1.421 ( 8.409 0.000 2.542) 8.785 1.579 ( 4.748 0.000 -1.680) 5.036 1.650 ( 3.073 0.000 0.650) 3.141 1.728 ( 1.771 0.000 2.043) 2.704 1.802 ( -1.053 0.000 -0.609) 1.216 1.912 ( 2.102 0.000 -5.508) 5.896 1.979 ( 2.581 0.000 4.568) 5.247 2.000 ( 3.991 0.000 5.248) 6.594 2.141 ( 1.665 0.000 -6.112) 6.334 2.204 ( 1.411 0.000 -10.953) 11.043 2.289 ( 0.628 0.000 -10.821) 10.839 2.378 ( 2.348 0.000 -8.303) 8.629 2.443 ( 0.994 0.000 -8.566) 8.623 2.479 ( 2.445 0.000 -3.729) 4.459 2.556 ( 3.967 0.000 -5.193) 6.535 2.673 ( -0.461 0.000 0.077) 0.467 2.746 ( -1.197 0.000 -5.888) 6.009 2.805 ( 3.960 0.000 -8.118) 9.032 2.861 ( -0.112 0.000 1.419) 1.423 2.963 ( -3.434 0.000 -5.388) 6.389 2.993 ( 1.930 0.000 -7.554) 7.797 3.036 ( -2.722 0.000 -0.278) 2.736 3.072 ( -1.809 0.000 -4.231) 4.601 3.113 ( -0.576 0.000 -5.495) 5.525 3.191 ( 1.792 0.000 -1.659) 2.442 3.212 ( -1.038 0.000 -0.088) 1.042 3.226 ( 3.047 0.000 -2.916) 4.217 3.281 ( -2.740 0.000 5.375) 6.033 3.333 ( 0.646 0.000 -0.479) 0.804 3.392 ( -1.368 0.000 -1.053) 1.726 3.475 ( -2.477 0.000 -0.363) 2.503 3.522 ( -1.552 0.000 0.293) 1.579 3.601 ( -2.048 0.000 2.415) 3.166 3.678 ( 0.391 0.000 3.222) 3.246 3.722 ( -0.754 0.000 -1.764) 1.919 3.769 ( 0.270 0.000 -5.734) 5.741 3.814 ( -1.404 0.000 -0.623) 1.536 3.845 ( -0.437 0.000 -0.145) 0.460 3.895 ( 0.459 0.000 1.929) 1.983 3.930 ( -1.752 0.000 -5.787) 6.046 3.985 ( 0.616 0.000 -5.024) 5.061 4.067 ( -1.475 0.000 1.891) 2.398 4.166 ( -1.322 0.000 1.417) 1.938 4.190 ( 0.843 0.000 -1.916) 2.093 4.260 ( 1.595 0.000 -0.114) 1.599 4.322 ( 2.099 0.000 -6.481) 6.812 4.431 ( 0.751 0.000 2.395) 2.510 4.449 ( 5.061 0.000 -7.713) 9.225 4.539 ( 2.103 0.000 4.478) 4.947 4.618 ( 1.256 0.000 -5.507) 5.649 4.657 ( -0.123 0.000 3.701) 3.703 4.696 ( -5.179 0.000 4.777) 7.046 4.742 ( 0.650 0.000 -2.793) 2.868 4.825 ( -0.047 0.000 2.728) 2.728 4.876 ( -1.517 0.000 1.069) 1.855 4.926 ( 0.201 0.000 -0.247) 0.318 5.038 ( -3.467 0.000 -3.396) 4.853 5.086 ( -0.624 0.000 6.299) 6.330 5.130 ( -0.815 0.000 4.345) 4.421 5.202 ( -1.486 0.000 -4.968) 5.185 5.223 ( 1.655 0.000 -0.250) 1.674 5.275 ( -3.588 0.000 5.814) 6.831 5.346 ( -2.253 0.000 5.443) 5.890 5.513 ( -2.021 0.000 -1.753) 2.676 5.521 ( 1.677 0.000 1.718) 2.400 5.602 ( -0.205 0.000 0.996) 1.017 5.618 ( 3.148 0.000 -0.978) 3.297 5.659 ( -0.916 0.000 -0.462) 1.026 5.725 ( -0.828 0.000 0.520) 0.978 5.836 ( -1.390 0.000 2.099) 2.517 5.861 ( 0.985 0.000 -0.308) 1.032 5.884 ( 3.433 0.000 5.394) 6.394 5.952 ( -1.175 0.000 -1.066) 1.587 6.021 ( -0.567 0.000 1.352) 1.466 6.128 ( 1.897 0.000 1.070) 2.178 6.153 ( -1.018 0.000 -0.544) 1.154 6.162 ( -3.575 0.000 -0.741) 3.651 6.238 ( 0.399 0.000 2.202) 2.238 6.243 ( -1.057 0.000 2.799) 2.992 6.311 ( 0.182 0.000 6.938) 6.941 6.364 ( -1.358 0.000 -1.927) 2.357 6.395 ( 1.268 0.000 -1.412) 1.898 6.456 ( -5.422 0.000 -1.983) 5.774 6.478 ( -0.910 0.000 1.549) 1.797 6.506 ( 0.004 0.000 3.590) 3.590 6.620 ( 3.603 0.000 -3.161) 4.793 6.641 ( 0.478 0.000 5.011) 5.034 6.687 ( 2.699 0.000 -1.069) 2.903 6.729 ( 0.842 0.000 5.081) 5.151 6.830 ( 1.672 0.000 1.982) 2.593 6.841 ( 3.873 0.000 0.388) 3.892 6.880 ( -1.312 0.000 3.987) 4.197 6.923 ( -2.204 0.000 2.981) 3.707 6.945 ( 7.023 0.000 0.844) 7.073 7.000 ( 4.055 0.000 0.027) 4.055 7.045 ( -0.153 0.000 -0.550) 0.571 7.073 ( -1.645 0.000 4.466) 4.759 7.114 ( -0.659 0.000 2.813) 2.889 7.126 ( 1.749 0.000 3.424) 3.845 7.147 ( -4.464 0.000 3.291) 5.546 7.237 ( 0.760 0.000 0.425) 0.870 7.297 ( 1.078 0.000 -0.504) 1.190 7.364 ( -4.376 0.000 4.293) 6.130 7.385 ( 0.813 0.000 4.707) 4.777 7.448 ( -3.634 0.000 -0.355) 3.651 7.526 ( 1.318 0.000 0.948) 1.624 7.603 ( 0.081 0.000 -1.151) 1.154 7.611 ( 1.947 0.000 5.288) 5.635 7.702 ( -1.759 0.000 4.003) 4.372 7.781 ( -1.138 0.000 -1.547) 1.920 7.793 ( 2.985 0.000 -2.415) 3.840 7.840 ( -1.167 0.000 -5.573) 5.694 7.909 ( 0.013 0.000 -1.900) 1.900 8.032 ( 0.296 0.000 2.556) 2.573 8.093 ( -1.910 0.000 -1.853) 2.661 8.122 ( -1.846 0.000 -3.324) 3.802 8.214 ( 2.057 0.000 0.584) 2.138 8.267 ( 1.152 0.000 0.795) 1.400 8.328 ( 0.350 0.000 1.699) 1.735 8.362 ( -0.301 0.000 1.999) 2.021 8.407 ( 1.223 0.000 2.285) 2.592 8.453 ( -2.482 0.000 5.761) 6.273 8.495 ( -1.077 0.000 1.728) 2.036 8.552 ( -2.857 0.000 -0.582) 2.916 8.602 ( -3.282 0.000 3.933) 5.122 8.648 ( 1.661 0.000 -0.301) 1.688 8.698 ( -2.061 0.000 0.276) 2.080 8.754 ( -2.465 0.000 3.112) 3.971 8.766 ( 1.311 0.000 1.635) 2.096 8.821 ( -3.917 0.000 1.910) 4.358 8.875 ( 3.473 0.000 -0.261) 3.483 8.912 ( -2.187 0.000 3.013) 3.723 9.023 ( 4.623 0.000 1.079) 4.747 9.051 ( -4.042 0.000 1.156) 4.203 9.111 ( -2.034 0.000 0.940) 2.241 9.124 ( -5.114 0.000 4.838) 7.040 9.181 ( -1.313 0.000 -1.539) 2.023 9.247 ( 2.524 0.000 1.887) 3.152 9.313 ( 0.263 0.000 0.033) 0.265 9.326 ( -0.537 0.000 0.288) 0.609 9.387 ( -1.635 0.000 1.764) 2.405 9.463 ( -0.010 0.000 0.020) 0.022 9.476 ( -0.132 0.000 4.337) 4.339 9.552 ( -1.546 0.000 2.704) 3.115 9.620 ( -1.144 0.000 3.141) 3.343 9.644 ( -6.106 0.000 3.232) 6.908 9.798 ( -2.728 0.000 6.629) 7.169 9.815 ( 1.918 0.000 1.165) 2.244 9.861 ( -1.883 0.000 4.642) 5.009 9.966 ( 1.922 0.000 2.510) 3.162 10.038 ( 0.146 0.000 0.604) 0.622 10.124 ( 2.705 0.000 2.604) 3.755 10.167 ( -1.569 0.000 -1.359) 2.075 10.267 ( 0.023 0.000 1.831) 1.832 10.370 ( -5.145 0.000 -1.791) 5.448 10.398 ( 0.034 0.000 -1.813) 1.813 10.470 ( -5.413 0.000 -2.076) 5.797 10.527 ( -2.361 0.000 1.606) 2.855 10.567 ( 1.400 0.000 -5.541) 5.715 10.658 ( -7.923 0.000 0.614) 7.947 10.713 ( -3.966 0.000 -3.215) 5.106 10.901 ( 4.171 0.000 -4.845) 6.393 10.958 ( 3.269 0.000 0.767) 3.358 11.004 ( 9.046 0.000 0.164) 9.048 11.332 ( 0.171 0.000 -1.617) 1.626 11.365 ( 2.657 0.000 -3.925) 4.740 11.597 ( 5.708 0.000 -3.670) 6.786 11.620 ( -2.771 0.000 -4.517) 5.299 11.701 ( 1.516 0.000 -5.601) 5.802 11.768 ( 9.048 0.000 -10.112) 13.569 11.865 ( 5.493 0.000 -9.232) 10.743 11.884 ( 2.427 0.000 -3.933) 4.621 12.044 ( -1.225 0.000 -10.620) 10.690 12.095 ( 3.083 0.000 -7.830) 8.415 12.111 ( -1.007 0.000 -12.999) 13.038 12.212 ( 1.440 0.000 -8.908) 9.024 12.417 ( 5.342 0.000 -8.906) 10.385 12.605 ( -2.456 0.000 1.631) 2.948 12.741 ( 0.826 0.000 1.084) 1.363 12.870 ( -2.064 0.000 1.274) 2.425 12.936 ( -0.393 0.000 -0.101) 0.406 13.044 ( 1.173 0.000 3.838) 4.013 13.199 ( -4.517 0.000 1.452) 4.744 13.219 ( 3.089 0.000 -3.248) 4.482 13.334 ( 2.132 0.000 -3.934) 4.475 13.405 ( -1.064 0.000 1.045) 1.492 13.531 ( -4.127 0.000 0.067) 4.128 13.580 ( 2.859 0.000 -0.342) 2.879 13.705 ( 1.289 0.000 1.844) 2.249 13.827 ( -3.957 0.000 -0.838) 4.045 14.012 ( -0.983 0.000 2.079) 2.299 14.051 ( 4.862 0.000 -1.475) 5.081 14.168 ( -1.289 0.000 2.499) 2.812 14.240 ( 2.457 0.000 1.963) 3.145 14.380 ( 2.268 0.000 -6.180) 6.583 14.502 ( 3.117 0.000 -2.922) 4.272 14.592 ( 1.055 0.000 0.964) 1.429 14.665 ( 1.078 0.000 2.935) 3.127 14.757 ( 0.894 0.000 11.669) 11.703 14.843 ( -1.017 0.000 3.293) 3.446 14.996 ( -8.518 0.000 7.127) 11.106 15.134 ( -1.746 0.000 1.743) 2.467 15.264 ( 0.729 0.000 4.471) 4.530 15.303 ( -1.958 0.000 7.411) 7.665 15.342 ( -5.139 0.000 6.564) 8.336 15.458 ( -2.519 0.000 2.317) 3.423 15.517 ( 4.329 0.000 1.073) 4.460 15.621 ( 1.549 0.000 4.941) 5.178 15.770 ( -1.600 0.000 1.533) 2.216 16.206 ( -4.282 0.000 -11.192) 11.983 16.341 ( 8.180 0.000 -14.368) 16.533 16.409 ( -1.869 0.000 -11.248) 11.402 ======================= Grid point 43 (24/50) ======================= q-point: ( 0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 12.222 0.000 -1.910) 12.371 1.171 ( 4.285 0.000 17.413) 17.932 1.291 ( 11.538 0.000 -6.349) 13.170 1.443 ( 5.891 0.000 -9.449) 11.135 1.573 ( 6.278 0.000 -11.486) 13.090 1.679 ( 3.821 0.000 0.457) 3.848 1.702 ( -2.887 0.000 -0.481) 2.927 1.771 ( 0.644 0.000 -0.315) 0.717 1.808 ( 11.814 0.000 -7.896) 14.210 1.929 ( -0.027 0.000 -9.865) 9.865 2.018 ( 5.410 0.000 1.889) 5.731 2.090 ( 0.121 0.000 -14.119) 14.120 2.140 ( 6.519 0.000 -7.866) 10.216 2.243 ( 7.055 0.000 -4.563) 8.402 2.271 ( -1.390 0.000 0.970) 1.695 2.383 ( 1.977 0.000 -5.418) 5.767 2.444 ( 3.681 0.000 -7.466) 8.324 2.563 ( 5.903 0.000 2.148) 6.282 2.644 ( 4.085 0.000 5.812) 7.104 2.701 ( 3.277 0.000 -0.733) 3.358 2.721 ( 2.884 0.000 -9.776) 10.192 2.782 ( -2.065 0.000 -2.211) 3.026 2.848 ( -1.169 0.000 2.491) 2.751 2.923 ( -1.666 0.000 -0.944) 1.915 2.976 ( 2.919 0.000 -6.561) 7.181 3.012 ( 0.115 0.000 -0.770) 0.778 3.033 ( 3.099 0.000 -10.190) 10.651 3.082 ( -1.008 0.000 -3.218) 3.372 3.125 ( -3.854 0.000 -1.301) 4.067 3.245 ( -0.459 0.000 0.003) 0.459 3.275 ( 5.785 0.000 -3.255) 6.638 3.307 ( 0.050 0.000 2.290) 2.290 3.374 ( 1.682 0.000 -1.551) 2.288 3.409 ( 2.555 0.000 -0.641) 2.634 3.456 ( -1.050 0.000 3.473) 3.628 3.484 ( -0.439 0.000 1.703) 1.759 3.581 ( -0.279 0.000 0.064) 0.287 3.666 ( -1.496 0.000 -0.226) 1.513 3.711 ( 0.215 0.000 -1.221) 1.239 3.776 ( 2.457 0.000 -6.846) 7.273 3.801 ( 0.175 0.000 2.956) 2.961 3.862 ( 2.148 0.000 -3.290) 3.929 3.912 ( 2.261 0.000 -3.644) 4.289 3.915 ( 0.751 0.000 -1.283) 1.487 4.009 ( 3.145 0.000 -1.190) 3.363 4.094 ( 3.480 0.000 0.374) 3.500 4.160 ( -0.238 0.000 0.708) 0.747 4.212 ( 2.605 0.000 -1.679) 3.099 4.262 ( 0.214 0.000 -1.978) 1.990 4.374 ( 5.267 0.000 -4.329) 6.818 4.435 ( -1.998 0.000 -2.453) 3.164 4.464 ( 3.061 0.000 -3.967) 5.011 4.569 ( -0.868 0.000 -3.777) 3.876 4.626 ( 0.344 0.000 0.712) 0.791 4.653 ( 1.536 0.000 3.103) 3.462 4.695 ( 0.778 0.000 5.353) 5.409 4.746 ( 0.742 0.000 -2.871) 2.965 4.797 ( -3.841 0.000 2.654) 4.668 4.850 ( -1.578 0.000 1.486) 2.168 4.903 ( -2.126 0.000 -2.490) 3.274 5.001 ( -0.266 0.000 1.935) 1.953 5.111 ( -2.460 0.000 1.832) 3.067 5.114 ( -1.440 0.000 1.801) 2.306 5.157 ( 2.240 0.000 -5.297) 5.751 5.241 ( -2.894 0.000 4.829) 5.629 5.296 ( 4.129 0.000 2.187) 4.673 5.341 ( -0.563 0.000 5.889) 5.916 5.475 ( -0.590 0.000 -1.322) 1.447 5.524 ( -2.557 0.000 -0.405) 2.589 5.574 ( -2.654 0.000 4.463) 5.193 5.623 ( -2.048 0.000 1.715) 2.671 5.661 ( 0.473 0.000 -2.402) 2.448 5.723 ( 2.134 0.000 -3.568) 4.158 5.804 ( -1.618 0.000 3.194) 3.580 5.891 ( 1.298 0.000 -1.398) 1.908 5.901 ( -1.108 0.000 0.847) 1.395 5.971 ( -4.325 0.000 10.311) 11.181 6.013 ( 1.366 0.000 -0.954) 1.666 6.056 ( -4.011 0.000 -0.626) 4.059 6.124 ( -4.123 0.000 3.485) 5.398 6.173 ( 1.810 0.000 -3.340) 3.799 6.203 ( -2.730 0.000 1.186) 2.977 6.255 ( -1.018 0.000 1.506) 1.818 6.294 ( -3.028 0.000 4.240) 5.211 6.323 ( -1.783 0.000 -3.360) 3.804 6.334 ( -4.121 0.000 3.951) 5.709 6.457 ( 3.353 0.000 -1.971) 3.889 6.508 ( 1.799 0.000 1.864) 2.590 6.550 ( 0.866 0.000 3.531) 3.636 6.628 ( -3.022 0.000 1.898) 3.569 6.687 ( 4.807 0.000 -2.226) 5.297 6.706 ( -1.663 0.000 -2.790) 3.248 6.791 ( 2.863 0.000 2.189) 3.604 6.826 ( -0.876 0.000 1.246) 1.523 6.877 ( 0.250 0.000 0.414) 0.484 6.907 ( 2.398 0.000 8.325) 8.664 6.970 ( 1.603 0.000 -0.973) 1.875 7.003 ( 0.581 0.000 2.130) 2.207 7.042 ( 0.296 0.000 -1.355) 1.387 7.064 ( 0.077 0.000 3.817) 3.818 7.087 ( 1.405 0.000 3.334) 3.618 7.120 ( -1.587 0.000 4.185) 4.475 7.162 ( 0.954 0.000 2.760) 2.920 7.171 ( -0.555 0.000 3.560) 3.603 7.245 ( 6.072 0.000 5.951) 8.502 7.280 ( 2.105 0.000 -1.882) 2.823 7.391 ( 3.245 0.000 -1.809) 3.716 7.420 ( -1.485 0.000 1.506) 2.115 7.471 ( 7.543 0.000 -4.548) 8.809 7.523 ( 0.182 0.000 -0.844) 0.863 7.619 ( -1.694 0.000 4.438) 4.750 7.684 ( -1.651 0.000 -0.302) 1.678 7.701 ( 4.502 0.000 2.527) 5.163 7.736 ( -0.559 0.000 -3.144) 3.193 7.832 ( 1.021 0.000 0.384) 1.091 7.842 ( 1.376 0.000 0.375) 1.426 7.922 ( 3.122 0.000 -4.412) 5.404 8.017 ( -5.329 0.000 0.342) 5.340 8.071 ( 1.162 0.000 0.602) 1.308 8.084 ( 0.693 0.000 -0.853) 1.099 8.243 ( -0.049 0.000 0.743) 0.745 8.257 ( -1.482 0.000 -1.611) 2.189 8.324 ( 0.520 0.000 -1.532) 1.618 8.386 ( -3.153 0.000 2.159) 3.821 8.399 ( -5.612 0.000 3.658) 6.699 8.411 ( -0.757 0.000 7.551) 7.589 8.456 ( -1.496 0.000 5.110) 5.324 8.499 ( -0.700 0.000 2.226) 2.333 8.603 ( -1.743 0.000 2.356) 2.931 8.623 ( -1.561 0.000 0.514) 1.644 8.657 ( -2.197 0.000 -0.021) 2.197 8.742 ( -1.902 0.000 -0.342) 1.933 8.765 ( 2.733 0.000 -0.423) 2.766 8.791 ( -1.681 0.000 0.813) 1.868 8.858 ( -3.752 0.000 3.213) 4.940 8.945 ( -4.914 0.000 2.918) 5.715 8.968 ( 1.852 0.000 2.194) 2.871 9.050 ( -1.646 0.000 0.296) 1.673 9.068 ( -1.017 0.000 1.504) 1.816 9.113 ( -0.929 0.000 0.051) 0.931 9.209 ( -0.476 0.000 1.202) 1.293 9.283 ( -1.482 0.000 8.320) 8.451 9.295 ( -3.207 0.000 -1.290) 3.457 9.333 ( 1.550 0.000 -2.310) 2.782 9.358 ( -1.823 0.000 8.895) 9.080 9.450 ( -2.138 0.000 -1.018) 2.368 9.475 ( -2.079 0.000 3.083) 3.719 9.517 ( -2.811 0.000 10.010) 10.398 9.585 ( 2.163 0.000 1.345) 2.547 9.656 ( 1.429 0.000 4.684) 4.897 9.782 ( -1.309 0.000 3.946) 4.158 9.883 ( 1.264 0.000 7.826) 7.927 9.891 ( 1.979 0.000 2.820) 3.445 9.994 ( 0.174 0.000 -0.196) 0.262 10.061 ( 0.337 0.000 5.764) 5.773 10.098 ( -6.893 0.000 2.127) 7.213 10.148 ( -5.153 0.000 -0.991) 5.248 10.197 ( -4.546 0.000 -1.693) 4.851 10.234 ( -3.085 0.000 1.999) 3.677 10.350 ( -1.148 0.000 -0.651) 1.319 10.387 ( -1.761 0.000 1.080) 2.066 10.505 ( -1.543 0.000 0.016) 1.543 10.539 ( -3.951 0.000 -0.331) 3.965 10.544 ( -4.712 0.000 -0.977) 4.812 10.632 ( -0.281 0.000 -3.875) 3.885 10.919 ( -2.219 0.000 -2.742) 3.527 10.968 ( 1.187 0.000 -3.223) 3.435 11.108 ( 0.664 0.000 -1.599) 1.732 11.315 ( -0.257 0.000 -1.507) 1.528 11.401 ( -0.192 0.000 -4.539) 4.543 11.524 ( 3.316 0.000 -7.939) 8.604 11.602 ( -0.049 0.000 -5.044) 5.044 11.685 ( 1.002 0.000 -8.303) 8.364 11.828 ( 1.922 0.000 -10.130) 10.311 11.920 ( 3.024 0.000 -11.051) 11.457 11.943 ( 4.392 0.000 -7.918) 9.055 11.991 ( -2.424 0.000 -9.971) 10.261 12.036 ( -1.119 0.000 -8.618) 8.690 12.134 ( 1.946 0.000 -2.415) 3.102 12.265 ( 11.032 0.000 -10.833) 15.462 12.440 ( 3.018 0.000 -11.397) 11.789 12.597 ( 0.261 0.000 1.252) 1.279 12.778 ( 1.819 0.000 0.703) 1.951 12.859 ( -0.268 0.000 2.983) 2.995 12.924 ( 0.301 0.000 -2.384) 2.403 13.086 ( -0.679 0.000 1.360) 1.520 13.115 ( -4.048 0.000 4.960) 6.402 13.256 ( 3.194 0.000 -4.561) 5.568 13.337 ( 1.641 0.000 -2.744) 3.197 13.392 ( -0.944 0.000 -1.922) 2.142 13.480 ( -0.512 0.000 0.901) 1.036 13.651 ( 2.558 0.000 3.023) 3.960 13.694 ( -1.225 0.000 -3.017) 3.256 13.786 ( -0.759 0.000 2.586) 2.695 14.004 ( -0.978 0.000 2.560) 2.740 14.086 ( 0.119 0.000 -0.187) 0.222 14.207 ( 3.329 0.000 -0.188) 3.334 14.287 ( 1.913 0.000 -1.247) 2.284 14.399 ( 2.603 0.000 -5.532) 6.114 14.534 ( 0.097 0.000 -0.290) 0.306 14.610 ( 1.711 0.000 -1.481) 2.263 14.718 ( 2.640 0.000 1.860) 3.229 14.842 ( 0.647 0.000 12.007) 12.024 14.862 ( -3.003 0.000 11.370) 11.759 14.889 ( -2.994 0.000 2.838) 4.126 15.133 ( 0.426 0.000 3.011) 3.041 15.254 ( -3.862 0.000 4.595) 6.002 15.268 ( -3.254 0.000 5.466) 6.361 15.355 ( 2.487 0.000 5.982) 6.478 15.415 ( -3.171 0.000 2.283) 3.908 15.553 ( 0.821 0.000 4.099) 4.180 15.692 ( -1.792 0.000 6.698) 6.933 15.752 ( 1.298 0.000 -0.684) 1.467 16.048 ( -4.841 0.000 -10.519) 11.579 16.282 ( -4.243 0.000 -10.699) 11.509 16.422 ( 6.550 0.000 -14.632) 16.031 ======================= Grid point 44 (25/50) ======================= q-point: ( 0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 7.062 0.000 -0.632) 7.090 1.278 ( -1.079 0.000 0.215) 1.100 1.482 ( 12.411 0.000 -12.232) 17.426 1.516 ( 7.862 0.000 -8.464) 11.552 1.602 ( 4.811 0.000 -11.004) 12.009 1.693 ( -0.061 0.000 5.044) 5.044 1.717 ( 0.218 0.000 -3.681) 3.688 1.784 ( 4.120 0.000 -4.449) 6.064 1.869 ( 0.880 0.000 -9.428) 9.469 1.972 ( 7.450 0.000 -10.891) 13.195 2.044 ( 5.446 0.000 -4.195) 6.874 2.145 ( 4.207 0.000 -6.760) 7.962 2.181 ( 0.850 0.000 -4.561) 4.639 2.233 ( 4.470 0.000 -9.266) 10.288 2.349 ( 4.113 0.000 -5.182) 6.616 2.410 ( 3.138 0.000 -1.337) 3.411 2.471 ( -0.098 0.000 -1.521) 1.524 2.625 ( -0.172 0.000 4.216) 4.220 2.671 ( -1.037 0.000 -3.023) 3.196 2.722 ( 1.791 0.000 -3.079) 3.562 2.764 ( -0.056 0.000 -0.451) 0.454 2.814 ( 2.315 0.000 -2.076) 3.110 2.850 ( 1.005 0.000 -3.643) 3.779 2.918 ( -1.282 0.000 1.357) 1.867 3.013 ( -0.647 0.000 -2.177) 2.272 3.051 ( 4.865 0.000 -2.659) 5.544 3.073 ( 5.208 0.000 -2.628) 5.833 3.091 ( 2.043 0.000 -1.619) 2.606 3.136 ( 8.576 0.000 7.001) 11.070 3.219 ( -1.042 0.000 -0.701) 1.256 3.281 ( 1.326 0.000 1.558) 2.046 3.360 ( -0.730 0.000 1.537) 1.702 3.374 ( 4.618 0.000 -4.459) 6.420 3.455 ( -0.063 0.000 6.046) 6.047 3.472 ( 1.902 0.000 1.179) 2.237 3.519 ( 0.435 0.000 3.186) 3.216 3.601 ( 1.763 0.000 -0.027) 1.763 3.668 ( 3.035 0.000 3.448) 4.593 3.732 ( 2.346 0.000 -0.461) 2.391 3.775 ( 1.906 0.000 -9.698) 9.884 3.835 ( 0.941 0.000 2.913) 3.062 3.881 ( -0.109 0.000 -3.919) 3.920 3.901 ( 2.978 0.000 -5.277) 6.060 3.947 ( 1.461 0.000 -3.052) 3.384 4.066 ( 2.385 0.000 0.197) 2.393 4.133 ( 2.544 0.000 -6.631) 7.102 4.193 ( 1.557 0.000 1.328) 2.046 4.234 ( -0.012 0.000 0.073) 0.074 4.285 ( 2.323 0.000 -0.630) 2.407 4.385 ( -0.666 0.000 -4.500) 4.549 4.452 ( 0.883 0.000 2.496) 2.647 4.477 ( -0.817 0.000 -5.395) 5.456 4.555 ( 3.937 0.000 -4.264) 5.804 4.644 ( 1.813 0.000 -1.430) 2.309 4.671 ( -1.128 0.000 1.876) 2.189 4.699 ( -4.370 0.000 5.299) 6.869 4.745 ( 0.790 0.000 -1.243) 1.472 4.781 ( -2.095 0.000 7.060) 7.365 4.809 ( 0.129 0.000 0.318) 0.343 4.861 ( -0.340 0.000 -7.416) 7.424 5.013 ( -0.840 0.000 -0.277) 0.884 5.046 ( -1.994 0.000 3.407) 3.948 5.068 ( -2.510 0.000 -3.060) 3.958 5.225 ( 2.934 0.000 4.737) 5.572 5.228 ( 0.167 0.000 1.279) 1.290 5.364 ( -0.747 0.000 4.021) 4.090 5.388 ( 3.503 0.000 2.502) 4.305 5.444 ( -2.877 0.000 1.068) 3.069 5.491 ( 1.302 0.000 -1.097) 1.702 5.552 ( -1.269 0.000 1.817) 2.216 5.582 ( -1.210 0.000 -1.778) 2.151 5.669 ( 0.355 0.000 4.367) 4.382 5.762 ( 3.286 0.000 -6.838) 7.586 5.802 ( -2.045 0.000 5.874) 6.220 5.863 ( -3.782 0.000 5.771) 6.899 5.882 ( -2.088 0.000 -1.797) 2.755 5.904 ( -4.532 0.000 3.021) 5.446 5.983 ( -2.750 0.000 1.082) 2.955 6.016 ( -1.940 0.000 -3.017) 3.587 6.054 ( -3.281 0.000 6.003) 6.841 6.161 ( -2.654 0.000 0.836) 2.782 6.172 ( 0.136 0.000 -3.178) 3.181 6.250 ( 0.391 0.000 4.016) 4.035 6.279 ( -0.207 0.000 -1.141) 1.160 6.288 ( 1.916 0.000 -2.682) 3.296 6.346 ( 0.618 0.000 5.870) 5.902 6.478 ( -0.652 0.000 -2.404) 2.491 6.524 ( -0.237 0.000 -0.336) 0.411 6.535 ( -3.498 0.000 2.736) 4.440 6.621 ( -1.420 0.000 -3.366) 3.654 6.641 ( 1.340 0.000 1.604) 2.090 6.757 ( 3.083 0.000 -2.071) 3.714 6.806 ( -3.589 0.000 2.542) 4.398 6.839 ( 0.131 0.000 1.245) 1.251 6.859 ( 1.235 0.000 -1.654) 2.064 6.947 ( -1.537 0.000 -2.226) 2.705 6.995 ( -1.030 0.000 5.734) 5.826 7.005 ( -1.327 0.000 1.630) 2.102 7.058 ( 0.811 0.000 3.131) 3.235 7.098 ( 0.621 0.000 -0.751) 0.975 7.123 ( -0.092 0.000 4.287) 4.288 7.151 ( 2.832 0.000 5.355) 6.058 7.191 ( 2.135 0.000 -1.868) 2.837 7.210 ( 4.305 0.000 -0.066) 4.305 7.319 ( 2.510 0.000 2.793) 3.755 7.349 ( -4.250 0.000 1.822) 4.624 7.384 ( 2.986 0.000 2.472) 3.877 7.479 ( 2.370 0.000 0.045) 2.371 7.552 ( 7.367 0.000 -2.740) 7.860 7.609 ( 1.877 0.000 -4.021) 4.438 7.614 ( 2.994 0.000 0.694) 3.073 7.664 ( 0.784 0.000 3.158) 3.253 7.670 ( -3.905 0.000 -1.932) 4.357 7.772 ( 0.107 0.000 0.384) 0.398 7.845 ( 1.307 0.000 0.598) 1.437 7.877 ( 1.502 0.000 -0.326) 1.537 7.916 ( -3.122 0.000 -0.991) 3.275 7.957 ( 1.803 0.000 -2.479) 3.065 8.074 ( -3.464 0.000 2.512) 4.279 8.082 ( 0.219 0.000 -2.705) 2.714 8.184 ( -4.128 0.000 -2.447) 4.799 8.246 ( -1.913 0.000 0.463) 1.968 8.259 ( -3.071 0.000 0.539) 3.118 8.344 ( -0.298 0.000 1.316) 1.350 8.377 ( -1.527 0.000 2.913) 3.289 8.432 ( 2.066 0.000 4.242) 4.719 8.528 ( 1.382 0.000 5.810) 5.972 8.529 ( 2.414 0.000 4.608) 5.202 8.563 ( -1.778 0.000 2.150) 2.790 8.608 ( 0.359 0.000 3.669) 3.687 8.660 ( -0.975 0.000 6.200) 6.276 8.718 ( -1.437 0.000 1.676) 2.208 8.769 ( -0.210 0.000 -1.577) 1.591 8.782 ( -3.226 0.000 2.879) 4.324 8.823 ( 3.227 0.000 -4.539) 5.569 8.903 ( 0.685 0.000 1.864) 1.986 8.991 ( -3.152 0.000 0.259) 3.163 9.031 ( -2.196 0.000 -0.523) 2.258 9.047 ( -0.872 0.000 3.957) 4.052 9.091 ( -1.197 0.000 -0.507) 1.300 9.133 ( -3.494 0.000 5.323) 6.368 9.218 ( -4.343 0.000 5.217) 6.788 9.274 ( -4.106 0.000 5.957) 7.235 9.319 ( -1.323 0.000 -0.346) 1.368 9.376 ( -3.619 0.000 8.975) 9.677 9.411 ( -2.642 0.000 7.755) 8.193 9.488 ( 0.475 0.000 4.913) 4.936 9.549 ( -0.411 0.000 10.017) 10.026 9.633 ( 2.407 0.000 1.034) 2.620 9.740 ( 2.695 0.000 4.160) 4.957 9.763 ( -3.684 0.000 3.569) 5.130 9.887 ( -1.663 0.000 2.027) 2.622 9.910 ( -5.642 0.000 1.195) 5.767 9.957 ( -2.151 0.000 2.959) 3.658 9.993 ( 0.790 0.000 -3.209) 3.304 10.092 ( 0.052 0.000 4.288) 4.289 10.103 ( 0.945 0.000 5.523) 5.604 10.160 ( 0.638 0.000 -1.914) 2.018 10.223 ( -1.606 0.000 1.603) 2.269 10.352 ( 0.626 0.000 0.614) 0.876 10.375 ( -0.314 0.000 0.162) 0.353 10.415 ( -3.990 0.000 0.027) 3.990 10.471 ( -4.488 0.000 0.955) 4.589 10.503 ( 0.671 0.000 -0.933) 1.149 10.654 ( 1.942 0.000 0.647) 2.047 10.815 ( -5.141 0.000 -2.117) 5.560 10.957 ( -1.951 0.000 -3.845) 4.312 11.043 ( -5.427 0.000 -4.119) 6.813 11.256 ( -4.256 0.000 -4.013) 5.849 11.385 ( 3.838 0.000 -9.052) 9.832 11.507 ( -2.977 0.000 -9.505) 9.960 11.589 ( 1.232 0.000 -4.556) 4.720 11.695 ( 2.551 0.000 -7.987) 8.384 11.757 ( -0.890 0.000 -13.110) 13.140 11.888 ( 2.772 0.000 -5.994) 6.605 11.938 ( -0.111 0.000 -7.681) 7.682 11.998 ( 3.745 0.000 -6.080) 7.141 12.041 ( 7.890 0.000 -11.603) 14.032 12.161 ( 3.467 0.000 -3.083) 4.640 12.342 ( 2.135 0.000 -10.368) 10.586 12.428 ( 1.961 0.000 -10.596) 10.776 12.636 ( 3.617 0.000 -0.813) 3.707 12.791 ( -0.700 0.000 0.019) 0.700 12.872 ( -0.390 0.000 3.830) 3.850 12.926 ( 1.100 0.000 -3.344) 3.520 13.003 ( -5.294 0.000 2.124) 5.704 13.131 ( 0.323 0.000 4.006) 4.019 13.288 ( 2.405 0.000 -4.321) 4.946 13.358 ( 2.378 0.000 -8.486) 8.812 13.406 ( 1.895 0.000 5.073) 5.416 13.485 ( -0.539 0.000 2.231) 2.295 13.648 ( -1.994 0.000 1.780) 2.673 13.692 ( -0.081 0.000 0.650) 0.655 13.816 ( 2.555 0.000 0.695) 2.648 14.003 ( -0.704 0.000 3.133) 3.211 14.090 ( 0.575 0.000 -1.322) 1.442 14.248 ( 1.662 0.000 -1.388) 2.165 14.304 ( 1.079 0.000 -2.814) 3.014 14.409 ( 0.267 0.000 -2.900) 2.913 14.498 ( -2.582 0.000 -0.520) 2.634 14.638 ( 1.852 0.000 -3.021) 3.544 14.741 ( -3.323 0.000 5.522) 6.445 14.824 ( -1.510 0.000 4.889) 5.117 14.897 ( -0.787 0.000 8.058) 8.096 14.918 ( 1.059 0.000 4.819) 4.934 15.175 ( 1.371 0.000 4.609) 4.809 15.222 ( -2.370 0.000 3.448) 4.184 15.251 ( -1.566 0.000 7.411) 7.574 15.369 ( -2.833 0.000 4.605) 5.406 15.451 ( 4.373 0.000 2.280) 4.932 15.596 ( 0.877 0.000 4.187) 4.278 15.662 ( -1.731 0.000 4.161) 4.506 15.782 ( 0.331 0.000 -0.203) 0.388 15.935 ( -1.168 0.000 -8.608) 8.687 16.141 ( -5.226 0.000 -7.272) 8.955 16.462 ( 5.259 0.000 -13.707) 14.681 ======================= Grid point 45 (26/50) ======================= q-point: ( 0.43 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -7.823 0.000 -10.243) 12.889 1.220 ( -5.718 0.000 -5.336) 7.821 1.557 ( -1.164 0.000 -11.760) 11.817 1.597 ( 4.146 0.000 -4.054) 5.799 1.637 ( 0.080 0.000 -10.094) 10.094 1.701 ( 0.256 0.000 -6.635) 6.640 1.722 ( 6.815 0.000 -10.252) 12.311 1.834 ( 2.286 0.000 -4.295) 4.865 1.937 ( 6.762 0.000 -1.951) 7.038 2.025 ( 5.477 0.000 -4.609) 7.158 2.091 ( 1.159 0.000 -6.335) 6.440 2.207 ( 0.110 0.000 1.284) 1.288 2.212 ( 1.931 0.000 -5.003) 5.363 2.284 ( 5.884 0.000 -8.948) 10.709 2.324 ( -0.182 0.000 1.834) 1.843 2.430 ( 0.396 0.000 -2.880) 2.907 2.505 ( 4.338 0.000 -2.201) 4.865 2.647 ( -2.790 0.000 -1.535) 3.185 2.662 ( 0.813 0.000 0.102) 0.820 2.689 ( 0.753 0.000 -2.043) 2.177 2.792 ( 0.993 0.000 -5.429) 5.519 2.803 ( 1.712 0.000 5.772) 6.021 2.871 ( -0.571 0.000 1.449) 1.557 2.910 ( 2.418 0.000 -2.435) 3.432 2.951 ( -3.385 0.000 2.107) 3.987 3.070 ( 1.023 0.000 -2.879) 3.056 3.096 ( 0.534 0.000 -3.756) 3.794 3.188 ( 0.968 0.000 -5.465) 5.550 3.207 ( 4.882 0.000 -2.976) 5.717 3.258 ( 2.129 0.000 2.702) 3.440 3.357 ( 4.567 0.000 -2.586) 5.248 3.409 ( -2.993 0.000 0.042) 2.994 3.454 ( 5.318 0.000 -6.765) 8.605 3.497 ( 4.695 0.000 8.959) 10.115 3.546 ( 5.614 0.000 6.793) 8.813 3.567 ( 1.288 0.000 6.632) 6.756 3.650 ( 2.896 0.000 1.300) 3.174 3.757 ( -1.392 0.000 1.187) 1.830 3.771 ( 3.286 0.000 -7.156) 7.874 3.796 ( 2.001 0.000 1.088) 2.278 3.819 ( -0.161 0.000 1.022) 1.034 3.842 ( -1.848 0.000 1.981) 2.709 3.954 ( 2.489 0.000 -2.874) 3.802 3.973 ( 4.346 0.000 -4.126) 5.993 4.054 ( -1.079 0.000 -6.511) 6.600 4.105 ( -5.332 0.000 0.311) 5.341 4.208 ( 1.995 0.000 -3.857) 4.342 4.246 ( 2.640 0.000 2.773) 3.829 4.330 ( 2.718 0.000 -3.774) 4.651 4.364 ( -0.170 0.000 0.878) 0.895 4.388 ( -1.015 0.000 -2.788) 2.967 4.514 ( 1.394 0.000 -1.418) 1.988 4.577 ( -1.243 0.000 -3.003) 3.251 4.603 ( -4.957 0.000 -0.680) 5.004 4.642 ( -1.407 0.000 -3.956) 4.199 4.683 ( -0.095 0.000 2.577) 2.579 4.731 ( -3.369 0.000 4.256) 5.428 4.771 ( 2.368 0.000 0.873) 2.523 4.836 ( 0.256 0.000 -1.553) 1.574 4.879 ( 3.921 0.000 4.597) 6.042 4.982 ( -0.036 0.000 -3.530) 3.530 5.023 ( 0.329 0.000 -1.987) 2.014 5.076 ( 1.385 0.000 4.359) 4.573 5.229 ( -0.373 0.000 0.813) 0.894 5.275 ( -2.605 0.000 5.700) 6.267 5.365 ( 1.822 0.000 -1.807) 2.566 5.407 ( -2.606 0.000 3.444) 4.319 5.422 ( -1.103 0.000 2.913) 3.115 5.527 ( -0.419 0.000 -1.517) 1.573 5.546 ( 3.092 0.000 -1.494) 3.434 5.580 ( -0.929 0.000 3.775) 3.888 5.689 ( -0.886 0.000 1.831) 2.034 5.765 ( -0.464 0.000 0.545) 0.716 5.784 ( -2.032 0.000 -0.583) 2.114 5.801 ( 0.725 0.000 2.380) 2.488 5.859 ( -1.753 0.000 -1.760) 2.484 5.883 ( 0.539 0.000 0.235) 0.588 5.935 ( -3.788 0.000 -1.784) 4.187 5.956 ( -2.433 0.000 7.336) 7.729 6.065 ( 1.530 0.000 3.709) 4.012 6.136 ( 0.014 0.000 0.685) 0.686 6.173 ( 1.095 0.000 0.053) 1.096 6.251 ( -2.461 0.000 -3.276) 4.098 6.310 ( 2.094 0.000 0.371) 2.126 6.319 ( 2.071 0.000 1.979) 2.865 6.361 ( -0.765 0.000 2.743) 2.847 6.430 ( 0.252 0.000 -3.562) 3.571 6.506 ( -0.624 0.000 -1.944) 2.042 6.542 ( 0.523 0.000 4.089) 4.122 6.587 ( 0.292 0.000 -2.508) 2.525 6.688 ( 0.619 0.000 1.335) 1.472 6.751 ( -3.362 0.000 1.728) 3.780 6.772 ( -2.012 0.000 1.357) 2.427 6.816 ( -1.428 0.000 -1.805) 2.302 6.840 ( -1.880 0.000 -3.820) 4.257 6.893 ( -2.009 0.000 -1.249) 2.366 6.952 ( -3.483 0.000 0.655) 3.544 6.997 ( -1.972 0.000 0.920) 2.176 7.037 ( -1.635 0.000 4.934) 5.198 7.116 ( 0.857 0.000 -1.202) 1.477 7.147 ( 0.918 0.000 1.710) 1.941 7.207 ( 0.826 0.000 -0.003) 0.826 7.223 ( 0.593 0.000 0.320) 0.674 7.285 ( -3.335 0.000 2.680) 4.278 7.318 ( 4.704 0.000 1.018) 4.813 7.350 ( -4.002 0.000 4.706) 6.177 7.413 ( 1.557 0.000 -1.803) 2.383 7.470 ( -1.121 0.000 1.015) 1.512 7.591 ( -0.994 0.000 -3.236) 3.386 7.634 ( 1.307 0.000 0.158) 1.316 7.646 ( 0.751 0.000 -0.806) 1.101 7.674 ( 3.052 0.000 -0.838) 3.165 7.713 ( 1.328 0.000 1.466) 1.978 7.778 ( 2.362 0.000 2.736) 3.615 7.862 ( -0.434 0.000 -3.541) 3.568 7.874 ( -1.442 0.000 -2.858) 3.201 7.905 ( 2.028 0.000 1.561) 2.559 7.974 ( -0.436 0.000 0.953) 1.048 8.031 ( -0.627 0.000 2.931) 2.998 8.060 ( 0.132 0.000 -2.089) 2.093 8.122 ( -1.579 0.000 0.698) 1.727 8.202 ( 0.391 0.000 0.395) 0.556 8.274 ( 1.768 0.000 1.103) 2.084 8.346 ( 0.189 0.000 0.720) 0.745 8.377 ( -0.978 0.000 3.406) 3.544 8.468 ( -1.916 0.000 5.103) 5.451 8.496 ( -4.009 0.000 0.336) 4.023 8.555 ( -0.482 0.000 -1.525) 1.599 8.571 ( -0.291 0.000 3.269) 3.282 8.635 ( -3.777 0.000 4.806) 6.112 8.673 ( -2.537 0.000 0.251) 2.549 8.743 ( 3.515 0.000 6.888) 7.733 8.761 ( 3.007 0.000 5.305) 6.098 8.794 ( 0.999 0.000 1.668) 1.944 8.854 ( 1.733 0.000 -1.920) 2.586 8.920 ( -2.716 0.000 -1.913) 3.322 8.954 ( -3.071 0.000 0.873) 3.193 8.996 ( 3.530 0.000 5.451) 6.494 9.033 ( 2.542 0.000 1.248) 2.832 9.076 ( -3.059 0.000 0.586) 3.115 9.171 ( -0.373 0.000 4.583) 4.599 9.193 ( 2.096 0.000 7.393) 7.685 9.254 ( 0.093 0.000 6.582) 6.583 9.290 ( -1.911 0.000 2.785) 3.377 9.365 ( -1.127 0.000 7.082) 7.171 9.431 ( -0.872 0.000 12.432) 12.463 9.504 ( -1.877 0.000 6.288) 6.562 9.589 ( -0.633 0.000 8.740) 8.763 9.672 ( -2.504 0.000 5.799) 6.317 9.702 ( -0.479 0.000 1.077) 1.179 9.740 ( -1.986 0.000 2.703) 3.354 9.825 ( -3.656 0.000 -0.916) 3.769 9.868 ( -2.208 0.000 1.015) 2.430 9.952 ( -2.055 0.000 -0.085) 2.057 10.014 ( 3.129 0.000 0.251) 3.139 10.084 ( -1.737 0.000 2.839) 3.328 10.153 ( -2.149 0.000 1.186) 2.455 10.183 ( 2.470 0.000 4.438) 5.079 10.203 ( 0.468 0.000 -0.410) 0.622 10.324 ( -5.048 0.000 -0.312) 5.058 10.378 ( -1.365 0.000 1.533) 2.053 10.382 ( 1.753 0.000 1.104) 2.072 10.443 ( 2.814 0.000 -0.928) 2.963 10.524 ( 1.542 0.000 -3.235) 3.584 10.662 ( -1.547 0.000 3.120) 3.483 10.755 ( -2.786 0.000 -1.944) 3.397 10.849 ( -5.719 0.000 -3.492) 6.701 10.880 ( -7.484 0.000 -1.578) 7.649 11.163 ( -1.621 0.000 -7.288) 7.466 11.403 ( 0.059 0.000 -7.837) 7.837 11.450 ( 4.528 0.000 -11.726) 12.570 11.530 ( -1.496 0.000 -9.761) 9.875 11.657 ( 0.510 0.000 -7.125) 7.143 11.765 ( 4.803 0.000 -9.130) 10.316 11.928 ( 4.328 0.000 -10.524) 11.379 11.966 ( 6.076 0.000 -4.328) 7.460 12.027 ( 2.580 0.000 -7.672) 8.095 12.150 ( 9.368 0.000 -12.738) 15.812 12.233 ( 5.503 0.000 -2.535) 6.059 12.289 ( -0.421 0.000 -10.909) 10.918 12.420 ( 2.299 0.000 -7.950) 8.276 12.718 ( 5.020 0.000 -0.355) 5.032 12.772 ( -0.984 0.000 0.220) 1.008 12.883 ( -2.722 0.000 -0.220) 2.730 12.886 ( -0.540 0.000 0.621) 0.823 12.962 ( -1.158 0.000 2.937) 3.157 13.160 ( 0.889 0.000 1.856) 2.058 13.262 ( -2.055 0.000 -10.394) 10.596 13.364 ( 1.583 0.000 -1.274) 2.032 13.462 ( -0.090 0.000 5.677) 5.678 13.477 ( -1.249 0.000 4.197) 4.379 13.630 ( -0.746 0.000 2.262) 2.382 13.690 ( -1.042 0.000 2.904) 3.085 13.856 ( 1.347 0.000 -1.397) 1.941 14.008 ( -0.795 0.000 4.509) 4.579 14.084 ( 0.150 0.000 -3.926) 3.929 14.267 ( 1.146 0.000 -2.518) 2.766 14.288 ( -2.192 0.000 -0.755) 2.319 14.379 ( -1.053 0.000 -0.538) 1.182 14.473 ( 0.496 0.000 -2.367) 2.418 14.638 ( -0.278 0.000 -2.434) 2.450 14.700 ( -2.857 0.000 4.739) 5.534 14.824 ( -1.010 0.000 2.551) 2.744 14.906 ( -1.193 0.000 6.917) 7.020 14.959 ( 0.508 0.000 2.328) 2.383 15.152 ( -4.346 0.000 3.098) 5.337 15.239 ( 0.338 0.000 5.236) 5.247 15.284 ( 0.395 0.000 7.350) 7.361 15.351 ( -1.971 0.000 5.240) 5.599 15.505 ( -0.090 0.000 2.520) 2.521 15.610 ( -1.041 0.000 3.346) 3.504 15.703 ( 1.279 0.000 -0.891) 1.559 15.738 ( -0.520 0.000 -2.457) 2.511 15.941 ( 3.523 0.000 -5.172) 6.258 16.041 ( -0.940 0.000 -1.925) 2.143 16.486 ( 4.451 0.000 -12.801) 13.552 ======================= Grid point 46 (27/50) ======================= q-point: (-0.43 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -8.866 0.000 -9.391) 12.915 1.089 ( -4.326 0.000 -5.014) 6.622 1.411 ( -7.973 0.000 -9.307) 12.255 1.533 ( -2.540 0.000 -3.149) 4.046 1.625 ( -1.520 0.000 -2.960) 3.328 1.639 ( -2.789 0.000 -15.379) 15.630 1.725 ( -3.324 0.000 -1.409) 3.610 1.847 ( 0.959 0.000 -2.444) 2.625 1.955 ( -1.101 0.000 -2.155) 2.420 1.996 ( -5.782 0.000 -6.234) 8.503 2.102 ( 1.181 0.000 -6.625) 6.729 2.160 ( -0.221 0.000 -5.862) 5.866 2.247 ( 4.528 0.000 -4.333) 6.267 2.347 ( 2.703 0.000 -3.899) 4.744 2.400 ( -1.334 0.000 -7.342) 7.462 2.422 ( 3.979 0.000 -3.803) 5.505 2.526 ( -0.536 0.000 -4.918) 4.947 2.596 ( 0.584 0.000 -2.661) 2.724 2.647 ( -0.283 0.000 0.982) 1.022 2.708 ( -0.692 0.000 1.493) 1.646 2.750 ( 0.124 0.000 -5.979) 5.980 2.832 ( -3.709 0.000 3.681) 5.225 2.891 ( 2.655 0.000 2.098) 3.384 2.967 ( 1.197 0.000 2.132) 2.445 2.999 ( 7.510 0.000 -1.084) 7.588 3.043 ( -2.073 0.000 -1.164) 2.377 3.095 ( -0.332 0.000 3.692) 3.706 3.164 ( -2.151 0.000 -3.999) 4.541 3.245 ( 1.097 0.000 -2.677) 2.893 3.298 ( 1.342 0.000 3.892) 4.117 3.338 ( -3.709 0.000 1.689) 4.076 3.443 ( 3.979 0.000 -5.503) 6.791 3.461 ( -3.700 0.000 -1.817) 4.122 3.566 ( 3.565 0.000 -3.834) 5.235 3.607 ( 0.925 0.000 1.212) 1.525 3.635 ( -1.752 0.000 -3.359) 3.789 3.645 ( -2.285 0.000 -3.809) 4.441 3.718 ( 3.168 0.000 8.253) 8.840 3.797 ( -0.599 0.000 3.158) 3.214 3.817 ( 1.492 0.000 -2.923) 3.282 3.843 ( 1.033 0.000 -1.757) 2.038 3.878 ( 3.307 0.000 1.623) 3.684 3.981 ( 0.830 0.000 -3.671) 3.764 4.000 ( 0.061 0.000 -1.560) 1.561 4.024 ( 1.783 0.000 -0.254) 1.801 4.079 ( 1.644 0.000 -0.293) 1.670 4.228 ( 1.608 0.000 -2.656) 3.104 4.279 ( -1.864 0.000 -1.777) 2.575 4.345 ( 0.169 0.000 -3.606) 3.610 4.350 ( 0.030 0.000 -3.498) 3.498 4.395 ( 2.144 0.000 2.570) 3.347 4.462 ( -5.463 0.000 -3.005) 6.235 4.518 ( -2.612 0.000 -2.986) 3.967 4.542 ( -0.768 0.000 -1.929) 2.076 4.598 ( -0.590 0.000 -1.795) 1.889 4.675 ( -2.396 0.000 5.509) 6.008 4.712 ( -0.845 0.000 1.213) 1.479 4.807 ( 1.588 0.000 -4.928) 5.177 4.852 ( 0.552 0.000 6.047) 6.073 4.981 ( 0.201 0.000 3.858) 3.863 4.997 ( 4.277 0.000 4.777) 6.411 5.069 ( 4.723 0.000 -2.523) 5.354 5.121 ( 1.382 0.000 2.171) 2.574 5.220 ( -2.972 0.000 4.297) 5.224 5.242 ( 1.568 0.000 -2.503) 2.954 5.352 ( -2.765 0.000 1.857) 3.330 5.391 ( -1.074 0.000 0.026) 1.075 5.415 ( -0.683 0.000 2.787) 2.870 5.496 ( -1.740 0.000 -0.887) 1.953 5.527 ( -4.556 0.000 3.274) 5.611 5.612 ( 2.588 0.000 -1.892) 3.206 5.671 ( -0.459 0.000 -0.100) 0.470 5.759 ( -0.569 0.000 0.604) 0.830 5.785 ( -0.140 0.000 0.132) 0.192 5.801 ( 0.054 0.000 -1.769) 1.770 5.841 ( -0.299 0.000 0.075) 0.308 5.886 ( 1.399 0.000 3.787) 4.037 5.925 ( 2.150 0.000 0.845) 2.310 5.982 ( 0.742 0.000 6.979) 7.019 6.116 ( 0.303 0.000 7.315) 7.322 6.150 ( -1.525 0.000 -3.825) 4.117 6.175 ( 0.624 0.000 -0.974) 1.157 6.214 ( 1.946 0.000 0.446) 1.997 6.319 ( 0.732 0.000 -1.254) 1.452 6.371 ( 1.068 0.000 0.763) 1.312 6.383 ( 0.571 0.000 2.587) 2.650 6.431 ( 0.896 0.000 -1.984) 2.177 6.497 ( -0.450 0.000 -1.026) 1.120 6.547 ( -0.146 0.000 -0.997) 1.008 6.609 ( -0.341 0.000 2.666) 2.688 6.638 ( 0.977 0.000 -3.824) 3.947 6.703 ( -1.973 0.000 1.565) 2.518 6.728 ( -4.542 0.000 1.065) 4.666 6.783 ( -0.367 0.000 -4.480) 4.495 6.794 ( -1.608 0.000 2.859) 3.280 6.882 ( 0.748 0.000 1.503) 1.679 6.912 ( -3.663 0.000 4.119) 5.512 6.958 ( -1.264 0.000 -0.973) 1.595 7.044 ( 0.840 0.000 1.553) 1.765 7.104 ( -4.655 0.000 -3.772) 5.992 7.140 ( 0.050 0.000 -0.430) 0.433 7.177 ( -3.102 0.000 0.972) 3.250 7.189 ( -2.916 0.000 3.300) 4.404 7.231 ( -3.903 0.000 3.052) 4.954 7.287 ( -3.598 0.000 0.993) 3.733 7.364 ( -1.699 0.000 -0.559) 1.788 7.398 ( -0.605 0.000 -0.614) 0.862 7.498 ( 1.180 0.000 3.250) 3.458 7.594 ( 0.467 0.000 -0.627) 0.782 7.616 ( 0.212 0.000 -3.668) 3.674 7.646 ( -1.274 0.000 0.784) 1.496 7.703 ( -0.443 0.000 0.192) 0.483 7.747 ( 2.561 0.000 -0.571) 2.624 7.794 ( -2.217 0.000 2.126) 3.071 7.819 ( -1.637 0.000 -1.887) 2.498 7.866 ( 0.128 0.000 -2.433) 2.436 7.931 ( 2.747 0.000 -0.957) 2.909 7.997 ( 1.506 0.000 3.061) 3.411 8.060 ( 0.295 0.000 -1.263) 1.297 8.081 ( 2.980 0.000 4.294) 5.227 8.113 ( -0.124 0.000 1.895) 1.899 8.245 ( 2.126 0.000 -1.486) 2.594 8.314 ( -1.052 0.000 2.422) 2.641 8.347 ( -0.900 0.000 0.666) 1.120 8.367 ( -0.114 0.000 1.883) 1.887 8.399 ( -3.845 0.000 -0.263) 3.854 8.447 ( -2.749 0.000 5.373) 6.035 8.532 ( -1.350 0.000 2.806) 3.114 8.556 ( -1.158 0.000 3.174) 3.379 8.609 ( -0.021 0.000 0.487) 0.487 8.655 ( -0.990 0.000 2.373) 2.571 8.756 ( -2.422 0.000 -1.149) 2.681 8.799 ( 0.440 0.000 1.513) 1.576 8.829 ( 0.086 0.000 2.811) 2.812 8.906 ( -1.150 0.000 4.676) 4.815 8.936 ( 4.352 0.000 0.302) 4.363 8.939 ( 2.781 0.000 5.898) 6.521 9.009 ( -0.199 0.000 -0.268) 0.334 9.089 ( 0.147 0.000 5.862) 5.864 9.128 ( 5.229 0.000 1.099) 5.343 9.195 ( -1.371 0.000 4.491) 4.696 9.264 ( 0.145 0.000 1.491) 1.498 9.298 ( 4.188 0.000 6.395) 7.645 9.352 ( 4.538 0.000 5.264) 6.950 9.399 ( 0.799 0.000 3.753) 3.837 9.465 ( -3.338 0.000 5.955) 6.827 9.502 ( 0.362 0.000 5.809) 5.820 9.619 ( 0.995 0.000 4.718) 4.822 9.650 ( -2.582 0.000 8.387) 8.775 9.697 ( -2.522 0.000 7.104) 7.538 9.762 ( -1.060 0.000 1.989) 2.253 9.785 ( -0.661 0.000 5.685) 5.723 9.823 ( 1.275 0.000 0.924) 1.574 9.875 ( -4.664 0.000 1.033) 4.777 10.017 ( -3.330 0.000 1.532) 3.666 10.099 ( -3.375 0.000 1.437) 3.668 10.125 ( 2.589 0.000 1.912) 3.219 10.184 ( -1.954 0.000 -1.029) 2.209 10.220 ( 0.985 0.000 3.393) 3.533 10.262 ( -1.187 0.000 -3.012) 3.238 10.368 ( 0.701 0.000 1.081) 1.289 10.445 ( 2.302 0.000 2.066) 3.093 10.494 ( 2.400 0.000 -3.551) 4.286 10.514 ( -0.182 0.000 -3.731) 3.736 10.630 ( -1.673 0.000 -4.016) 4.351 10.661 ( -0.677 0.000 1.712) 1.841 10.785 ( -1.538 0.000 2.144) 2.638 10.804 ( -2.562 0.000 3.424) 4.277 11.140 ( 3.335 0.000 -8.404) 9.041 11.367 ( 0.526 0.000 -6.622) 6.642 11.452 ( 2.016 0.000 -10.760) 10.947 11.523 ( 5.565 0.000 -10.548) 11.926 11.659 ( 3.348 0.000 -6.959) 7.722 11.815 ( 4.175 0.000 -5.915) 7.240 11.950 ( 1.780 0.000 -9.550) 9.715 12.017 ( 5.068 0.000 -14.970) 15.805 12.053 ( 4.724 0.000 -9.058) 10.216 12.221 ( 4.036 0.000 -12.447) 13.085 12.254 ( 1.763 0.000 -7.431) 7.638 12.360 ( 7.423 0.000 -3.031) 8.018 12.439 ( 4.195 0.000 -8.250) 9.255 12.744 ( -0.869 0.000 -3.959) 4.053 12.785 ( 0.724 0.000 -2.598) 2.697 12.855 ( 1.177 0.000 -0.520) 1.287 12.886 ( -0.801 0.000 3.948) 4.028 12.948 ( -1.761 0.000 2.587) 3.130 13.097 ( -5.282 0.000 -4.177) 6.734 13.226 ( 2.678 0.000 -4.049) 4.855 13.405 ( 1.721 0.000 4.602) 4.913 13.432 ( -4.006 0.000 3.738) 5.480 13.501 ( 0.116 0.000 4.151) 4.153 13.639 ( -0.869 0.000 5.366) 5.436 13.670 ( -2.478 0.000 2.160) 3.288 13.851 ( -0.717 0.000 -1.211) 1.408 14.011 ( -1.468 0.000 4.478) 4.712 14.073 ( 1.395 0.000 -4.243) 4.466 14.220 ( -3.473 0.000 0.739) 3.551 14.266 ( -0.822 0.000 -3.200) 3.304 14.378 ( 0.847 0.000 -1.782) 1.973 14.473 ( 0.448 0.000 -2.123) 2.169 14.615 ( -0.926 0.000 -1.539) 1.796 14.675 ( -1.626 0.000 1.775) 2.407 14.793 ( -3.649 0.000 2.388) 4.361 14.946 ( 0.746 0.000 5.402) 5.453 14.959 ( -0.535 0.000 3.912) 3.949 15.101 ( -1.814 0.000 3.370) 3.827 15.259 ( -0.940 0.000 4.631) 4.726 15.296 ( -2.860 0.000 5.781) 6.450 15.353 ( -0.964 0.000 6.631) 6.701 15.487 ( -3.026 0.000 0.868) 3.148 15.587 ( -2.674 0.000 2.274) 3.510 15.650 ( -2.034 0.000 0.923) 2.233 15.787 ( 1.962 0.000 -0.161) 1.968 15.972 ( 4.183 0.000 -5.016) 6.532 16.114 ( 7.372 0.000 -2.642) 7.832 16.505 ( 4.359 0.000 -12.884) 13.601 ======================= Grid point 47 (28/50) ======================= q-point: (-0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( -6.424 0.000 7.149) 9.612 1.017 ( -2.217 0.000 -2.346) 3.228 1.225 ( -3.453 0.000 -14.287) 14.699 1.458 ( -6.273 0.000 -3.655) 7.261 1.498 ( -5.249 0.000 -4.249) 6.754 1.538 ( -1.319 0.000 3.063) 3.335 1.662 ( -3.210 0.000 -3.761) 4.945 1.814 ( -3.769 0.000 -4.469) 5.846 1.875 ( -1.710 0.000 -3.606) 3.991 1.924 ( -2.655 0.000 -0.612) 2.724 2.003 ( -8.275 0.000 0.570) 8.295 2.133 ( -1.040 0.000 -11.036) 11.085 2.208 ( -4.590 0.000 -5.202) 6.938 2.319 ( -1.055 0.000 -5.102) 5.210 2.327 ( -0.297 0.000 -8.690) 8.695 2.406 ( 1.797 0.000 -12.862) 12.987 2.511 ( 0.217 0.000 -5.864) 5.868 2.617 ( -0.504 0.000 -7.878) 7.894 2.629 ( 1.760 0.000 2.334) 2.924 2.681 ( -4.116 0.000 -0.904) 4.214 2.738 ( 1.189 0.000 -3.364) 3.568 2.822 ( 0.351 0.000 1.727) 1.763 2.902 ( -1.250 0.000 0.805) 1.487 3.006 ( -0.147 0.000 3.451) 3.454 3.028 ( 1.456 0.000 1.264) 1.929 3.078 ( 0.787 0.000 -3.347) 3.438 3.105 ( 0.657 0.000 1.517) 1.653 3.137 ( 2.453 0.000 -4.301) 4.951 3.216 ( -2.280 0.000 -4.701) 5.225 3.244 ( -3.371 0.000 -1.618) 3.739 3.341 ( -1.267 0.000 -0.112) 1.272 3.415 ( -0.611 0.000 2.742) 2.810 3.466 ( -0.666 0.000 1.039) 1.234 3.502 ( -5.891 0.000 -4.830) 7.618 3.534 ( -4.004 0.000 0.221) 4.010 3.618 ( -0.695 0.000 -4.769) 4.819 3.666 ( -0.016 0.000 -0.361) 0.362 3.742 ( -2.518 0.000 0.228) 2.529 3.778 ( 0.642 0.000 -1.200) 1.361 3.833 ( 0.118 0.000 1.284) 1.290 3.878 ( 4.818 0.000 -8.379) 9.666 3.915 ( -3.302 0.000 -4.963) 5.961 3.953 ( 1.293 0.000 2.675) 2.972 4.004 ( -3.368 0.000 1.752) 3.797 4.041 ( 0.896 0.000 -2.164) 2.342 4.117 ( 2.247 0.000 -2.004) 3.011 4.207 ( -3.204 0.000 0.282) 3.216 4.223 ( -0.294 0.000 -5.398) 5.406 4.310 ( -0.133 0.000 1.569) 1.575 4.331 ( -2.754 0.000 -8.208) 8.658 4.381 ( -0.204 0.000 -0.224) 0.303 4.416 ( -2.031 0.000 1.490) 2.519 4.480 ( -2.314 0.000 3.018) 3.803 4.546 ( 3.423 0.000 1.430) 3.710 4.598 ( 1.875 0.000 -0.055) 1.875 4.681 ( 1.629 0.000 -1.052) 1.939 4.703 ( 0.612 0.000 -1.547) 1.663 4.810 ( 0.906 0.000 -1.960) 2.160 4.877 ( -1.682 0.000 5.222) 5.486 4.984 ( -1.072 0.000 0.412) 1.148 5.048 ( -2.396 0.000 10.620) 10.887 5.123 ( 0.600 0.000 -1.003) 1.168 5.161 ( 2.125 0.000 -0.794) 2.269 5.228 ( 0.491 0.000 6.118) 6.138 5.279 ( -0.150 0.000 -1.433) 1.440 5.334 ( 0.075 0.000 4.551) 4.551 5.352 ( 0.091 0.000 0.932) 0.936 5.422 ( 0.608 0.000 -0.599) 0.853 5.454 ( -1.088 0.000 0.929) 1.431 5.523 ( 2.120 0.000 1.114) 2.395 5.579 ( -1.965 0.000 -4.886) 5.266 5.696 ( 2.018 0.000 -1.648) 2.605 5.723 ( -2.025 0.000 -2.522) 3.234 5.799 ( -2.904 0.000 6.503) 7.122 5.814 ( 2.139 0.000 -0.662) 2.239 5.856 ( 3.589 0.000 -0.269) 3.599 5.935 ( -1.635 0.000 2.081) 2.646 5.971 ( 3.841 0.000 2.466) 4.564 6.053 ( 2.819 0.000 6.749) 7.314 6.097 ( -0.975 0.000 -0.583) 1.136 6.151 ( -0.349 0.000 5.391) 5.402 6.172 ( -0.587 0.000 -2.229) 2.305 6.290 ( 6.360 0.000 0.805) 6.411 6.321 ( -2.174 0.000 -1.172) 2.470 6.348 ( -4.038 0.000 -0.301) 4.049 6.366 ( -0.074 0.000 -2.071) 2.072 6.464 ( 2.282 0.000 -0.002) 2.282 6.488 ( 2.508 0.000 -2.881) 3.820 6.567 ( 0.776 0.000 1.501) 1.690 6.606 ( -0.594 0.000 4.792) 4.829 6.668 ( -1.431 0.000 1.796) 2.296 6.689 ( 0.192 0.000 0.444) 0.484 6.727 ( 1.508 0.000 1.979) 2.488 6.743 ( 0.443 0.000 -2.494) 2.533 6.762 ( -1.914 0.000 -3.023) 3.577 6.837 ( -3.174 0.000 3.303) 4.581 6.899 ( -3.776 0.000 -3.393) 5.077 6.962 ( 2.240 0.000 6.439) 6.818 7.016 ( -0.969 0.000 -0.106) 0.974 7.064 ( -0.571 0.000 5.196) 5.227 7.079 ( -6.079 0.000 3.617) 7.074 7.134 ( -1.279 0.000 3.259) 3.501 7.141 ( -4.372 0.000 0.777) 4.441 7.199 ( -1.090 0.000 -1.172) 1.601 7.246 ( -1.670 0.000 0.410) 1.719 7.292 ( -3.641 0.000 1.755) 4.041 7.380 ( -0.479 0.000 -2.352) 2.401 7.482 ( -4.078 0.000 2.596) 4.834 7.538 ( -2.699 0.000 -0.352) 2.722 7.616 ( -1.766 0.000 1.029) 2.044 7.657 ( -2.211 0.000 -1.240) 2.535 7.688 ( 0.444 0.000 0.832) 0.943 7.721 ( -5.701 0.000 1.990) 6.038 7.751 ( -0.423 0.000 0.048) 0.426 7.783 ( 1.082 0.000 0.002) 1.082 7.931 ( 5.376 0.000 -1.782) 5.663 7.970 ( -0.543 0.000 -6.167) 6.191 8.040 ( 3.100 0.000 3.536) 4.702 8.054 ( -0.683 0.000 -1.790) 1.916 8.133 ( 1.320 0.000 2.004) 2.400 8.140 ( 1.088 0.000 0.622) 1.253 8.234 ( -0.890 0.000 -0.164) 0.905 8.271 ( -2.793 0.000 1.913) 3.386 8.322 ( -0.652 0.000 1.161) 1.332 8.347 ( -1.718 0.000 3.309) 3.729 8.411 ( 2.004 0.000 0.458) 2.055 8.471 ( 1.570 0.000 4.990) 5.231 8.520 ( -1.303 0.000 3.879) 4.092 8.588 ( 1.035 0.000 3.327) 3.485 8.603 ( 0.322 0.000 -2.924) 2.942 8.661 ( -0.213 0.000 3.139) 3.146 8.725 ( 0.712 0.000 1.434) 1.601 8.790 ( -1.501 0.000 2.920) 3.284 8.893 ( 2.262 0.000 5.323) 5.784 8.928 ( 0.991 0.000 1.786) 2.042 8.971 ( -0.147 0.000 2.807) 2.810 8.987 ( -1.434 0.000 4.960) 5.163 9.058 ( 1.214 0.000 -1.107) 1.642 9.093 ( 0.419 0.000 2.837) 2.868 9.151 ( -2.433 0.000 3.336) 4.129 9.215 ( 1.664 0.000 -0.342) 1.699 9.291 ( -1.157 0.000 2.028) 2.335 9.339 ( -2.998 0.000 2.643) 3.996 9.380 ( 0.715 0.000 0.891) 1.143 9.424 ( -0.513 0.000 1.597) 1.677 9.461 ( 0.653 0.000 -1.185) 1.353 9.497 ( -2.623 0.000 1.626) 3.086 9.635 ( -2.694 0.000 7.479) 7.950 9.656 ( -1.023 0.000 4.209) 4.332 9.702 ( -4.198 0.000 3.592) 5.525 9.749 ( 1.155 0.000 6.497) 6.599 9.785 ( 2.875 0.000 0.613) 2.940 9.855 ( -0.339 0.000 3.250) 3.267 9.940 ( 0.154 0.000 1.796) 1.803 10.007 ( 1.038 0.000 4.560) 4.677 10.043 ( 1.522 0.000 5.383) 5.594 10.148 ( 3.098 0.000 2.233) 3.819 10.186 ( -0.556 0.000 0.894) 1.053 10.253 ( 4.840 0.000 1.510) 5.070 10.289 ( 2.821 0.000 1.778) 3.335 10.432 ( 4.472 0.000 1.310) 4.660 10.453 ( -0.036 0.000 2.500) 2.500 10.517 ( 2.831 0.000 -1.181) 3.068 10.539 ( 4.016 0.000 -3.264) 5.176 10.631 ( 1.902 0.000 2.517) 3.154 10.704 ( 2.345 0.000 0.441) 2.386 10.781 ( 1.975 0.000 -3.190) 3.752 10.817 ( 1.600 0.000 4.730) 4.993 11.178 ( 4.341 0.000 -7.631) 8.780 11.357 ( 1.317 0.000 -5.314) 5.475 11.472 ( 5.795 0.000 -9.336) 10.989 11.585 ( 5.231 0.000 -7.711) 9.318 11.689 ( 2.183 0.000 -7.028) 7.360 11.847 ( 1.668 0.000 -5.596) 5.839 11.913 ( 1.191 0.000 -12.959) 13.014 12.029 ( 1.980 0.000 -9.696) 9.896 12.075 ( 3.476 0.000 -11.850) 12.350 12.208 ( -0.070 0.000 -6.782) 6.783 12.242 ( 1.601 0.000 -13.035) 13.133 12.364 ( -0.027 0.000 -13.139) 13.139 12.438 ( -4.437 0.000 -9.385) 10.381 12.729 ( 1.990 0.000 -2.579) 3.257 12.758 ( -2.484 0.000 -3.008) 3.901 12.873 ( 3.734 0.000 -0.078) 3.735 12.913 ( 1.268 0.000 -0.714) 1.456 12.941 ( 0.326 0.000 3.574) 3.589 13.052 ( 0.809 0.000 2.482) 2.610 13.255 ( 1.910 0.000 -3.359) 3.864 13.364 ( -4.589 0.000 3.485) 5.762 13.455 ( 0.292 0.000 4.406) 4.415 13.524 ( 0.071 0.000 3.742) 3.742 13.630 ( -1.943 0.000 1.356) 2.369 13.637 ( -1.942 0.000 4.601) 4.994 13.849 ( 0.994 0.000 2.057) 2.285 14.006 ( -0.700 0.000 2.108) 2.221 14.086 ( 0.469 0.000 -1.534) 1.604 14.174 ( -1.463 0.000 -0.686) 1.615 14.204 ( -2.992 0.000 -2.126) 3.670 14.380 ( 0.545 0.000 -2.596) 2.652 14.466 ( -0.091 0.000 -1.604) 1.607 14.588 ( -0.655 0.000 -3.076) 3.145 14.659 ( -0.979 0.000 2.092) 2.309 14.731 ( -3.733 0.000 4.074) 5.526 14.910 ( -3.325 0.000 2.567) 4.201 15.056 ( 4.016 0.000 7.123) 8.177 15.126 ( 1.878 0.000 5.773) 6.071 15.247 ( -1.874 0.000 2.012) 2.750 15.256 ( -3.856 0.000 5.511) 6.726 15.362 ( -1.837 0.000 5.944) 6.221 15.411 ( -4.514 0.000 2.746) 5.284 15.542 ( -3.335 0.000 3.278) 4.676 15.653 ( 0.426 0.000 2.944) 2.975 15.801 ( -1.023 0.000 2.336) 2.550 16.056 ( 7.756 0.000 -7.550) 10.824 16.240 ( 7.423 0.000 -6.230) 9.690 16.519 ( 3.939 0.000 -13.688) 14.243 ======================= Grid point 48 (29/50) ======================= q-point: (-0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 2.426 0.000 20.414) 20.557 0.925 ( -6.302 0.000 7.094) 9.489 1.179 ( 4.200 0.000 -16.932) 17.445 1.364 ( -0.357 0.000 -9.199) 9.206 1.405 ( -2.899 0.000 -1.204) 3.139 1.560 ( 1.883 0.000 0.926) 2.098 1.585 ( -1.669 0.000 -0.077) 1.671 1.713 ( -4.486 0.000 3.945) 5.974 1.836 ( -2.411 0.000 -4.274) 4.908 1.876 ( -2.075 0.000 12.017) 12.195 1.906 ( 1.053 0.000 -0.935) 1.409 2.026 ( -4.722 0.000 -3.605) 5.941 2.142 ( 1.885 0.000 -9.228) 9.418 2.248 ( -2.449 0.000 -5.283) 5.823 2.325 ( 3.592 0.000 -12.471) 12.978 2.387 ( 2.093 0.000 -11.844) 12.027 2.473 ( -0.433 0.000 -7.267) 7.280 2.542 ( -4.792 0.000 -4.985) 6.915 2.568 ( -0.618 0.000 -9.617) 9.637 2.679 ( -0.028 0.000 2.156) 2.156 2.741 ( 3.295 0.000 -6.313) 7.121 2.826 ( -0.932 0.000 -3.625) 3.743 2.877 ( -2.054 0.000 1.079) 2.320 2.995 ( 0.933 0.000 -4.055) 4.161 3.052 ( -2.516 0.000 -6.429) 6.904 3.070 ( 1.338 0.000 2.401) 2.748 3.085 ( 0.269 0.000 -6.190) 6.196 3.135 ( -0.309 0.000 -4.654) 4.664 3.176 ( 0.390 0.000 -0.954) 1.031 3.204 ( -1.084 0.000 -2.230) 2.480 3.285 ( -3.565 0.000 0.440) 3.592 3.350 ( -6.334 0.000 2.581) 6.840 3.390 ( -4.166 0.000 -0.125) 4.168 3.462 ( -3.933 0.000 0.390) 3.952 3.496 ( 1.039 0.000 2.900) 3.081 3.548 ( -3.137 0.000 -3.524) 4.718 3.634 ( -2.141 0.000 0.986) 2.357 3.680 ( -3.793 0.000 4.578) 5.945 3.775 ( -1.397 0.000 -3.902) 4.145 3.792 ( -1.782 0.000 -2.545) 3.106 3.848 ( -1.260 0.000 -4.412) 4.588 3.877 ( -1.564 0.000 -2.194) 2.694 3.927 ( -3.042 0.000 -0.805) 3.147 3.992 ( -0.096 0.000 -5.265) 5.266 4.013 ( 1.042 0.000 -6.749) 6.829 4.091 ( -2.441 0.000 -1.935) 3.115 4.181 ( 1.035 0.000 -0.219) 1.058 4.225 ( -2.685 0.000 0.900) 2.832 4.239 ( -1.839 0.000 0.183) 1.848 4.323 ( 0.706 0.000 -2.051) 2.169 4.387 ( 2.701 0.000 -3.671) 4.557 4.404 ( 0.215 0.000 2.886) 2.894 4.485 ( 0.987 0.000 4.156) 4.272 4.590 ( 2.416 0.000 -1.416) 2.801 4.670 ( -1.377 0.000 2.914) 3.223 4.686 ( 3.289 0.000 0.016) 3.289 4.754 ( 3.163 0.000 -2.777) 4.209 4.811 ( -0.334 0.000 0.292) 0.443 4.866 ( -0.836 0.000 4.719) 4.792 4.950 ( -2.120 0.000 -0.478) 2.173 5.065 ( -0.975 0.000 9.476) 9.526 5.100 ( -1.784 0.000 -0.226) 1.798 5.181 ( -3.350 0.000 -3.212) 4.641 5.213 ( 0.234 0.000 2.898) 2.907 5.231 ( -2.787 0.000 0.845) 2.912 5.344 ( -1.690 0.000 2.199) 2.773 5.357 ( -4.036 0.000 3.132) 5.109 5.455 ( 3.447 0.000 0.786) 3.535 5.505 ( 5.974 0.000 0.015) 5.974 5.557 ( 0.400 0.000 -1.444) 1.498 5.589 ( 3.068 0.000 -2.098) 3.717 5.670 ( 0.288 0.000 -2.948) 2.962 5.736 ( 1.252 0.000 5.041) 5.195 5.764 ( -3.209 0.000 6.761) 7.483 5.863 ( 1.269 0.000 1.125) 1.696 5.896 ( -1.474 0.000 -0.979) 1.769 5.924 ( 2.489 0.000 0.601) 2.560 6.020 ( 0.860 0.000 -1.752) 1.951 6.107 ( 0.668 0.000 0.711) 0.976 6.120 ( 3.415 0.000 -1.195) 3.618 6.190 ( 0.600 0.000 5.978) 6.008 6.213 ( 2.870 0.000 3.979) 4.906 6.246 ( -2.751 0.000 1.287) 3.037 6.281 ( -0.487 0.000 -1.475) 1.554 6.342 ( -0.334 0.000 2.271) 2.295 6.441 ( -2.121 0.000 -1.443) 2.565 6.451 ( 2.740 0.000 1.924) 3.348 6.528 ( 1.329 0.000 -2.422) 2.763 6.554 ( -1.777 0.000 -0.308) 1.803 6.627 ( -3.195 0.000 1.721) 3.629 6.637 ( -2.244 0.000 -0.313) 2.266 6.649 ( -0.643 0.000 -1.267) 1.421 6.694 ( 0.664 0.000 0.857) 1.085 6.751 ( 1.460 0.000 4.671) 4.894 6.804 ( 1.834 0.000 3.520) 3.969 6.823 ( 0.777 0.000 -0.713) 1.055 6.890 ( 2.394 0.000 1.116) 2.641 6.957 ( -3.003 0.000 -0.835) 3.117 7.005 ( -1.972 0.000 1.855) 2.708 7.031 ( 0.511 0.000 6.992) 7.011 7.069 ( -0.946 0.000 1.496) 1.770 7.083 ( -0.643 0.000 -1.079) 1.256 7.145 ( -2.953 0.000 1.865) 3.493 7.204 ( -2.687 0.000 7.354) 7.830 7.213 ( 2.211 0.000 -1.842) 2.877 7.250 ( -1.177 0.000 7.002) 7.100 7.382 ( -0.914 0.000 0.425) 1.008 7.422 ( -1.831 0.000 0.859) 2.022 7.491 ( -2.372 0.000 2.955) 3.790 7.554 ( -4.092 0.000 2.041) 4.572 7.602 ( -2.528 0.000 2.829) 3.794 7.643 ( -4.024 0.000 0.801) 4.103 7.711 ( 0.449 0.000 0.707) 0.838 7.760 ( 1.049 0.000 -1.930) 2.197 7.793 ( -0.022 0.000 -0.102) 0.105 7.892 ( -0.990 0.000 -6.116) 6.196 7.971 ( -4.157 0.000 -4.129) 5.859 8.018 ( 0.774 0.000 3.056) 3.153 8.093 ( 2.061 0.000 -3.412) 3.986 8.168 ( 1.720 0.000 -2.271) 2.848 8.183 ( 0.056 0.000 0.960) 0.962 8.223 ( -0.339 0.000 5.838) 5.848 8.267 ( 2.360 0.000 3.445) 4.176 8.350 ( 3.437 0.000 -1.536) 3.764 8.367 ( 0.800 0.000 3.959) 4.040 8.446 ( 0.686 0.000 0.857) 1.098 8.494 ( -0.632 0.000 2.818) 2.888 8.550 ( 2.216 0.000 0.492) 2.270 8.597 ( 0.686 0.000 1.792) 1.919 8.628 ( 0.772 0.000 1.950) 2.098 8.693 ( 2.350 0.000 1.675) 2.886 8.750 ( 0.107 0.000 3.550) 3.551 8.788 ( -2.558 0.000 3.653) 4.460 8.871 ( -5.223 0.000 5.192) 7.365 8.891 ( -3.926 0.000 -0.258) 3.935 8.957 ( -3.254 0.000 3.483) 4.766 8.975 ( 0.027 0.000 -2.200) 2.200 9.095 ( 0.649 0.000 1.991) 2.094 9.122 ( 3.252 0.000 -1.799) 3.717 9.160 ( -2.064 0.000 5.013) 5.421 9.184 ( -0.138 0.000 1.249) 1.257 9.246 ( -4.504 0.000 2.679) 5.240 9.334 ( -0.204 0.000 1.292) 1.308 9.365 ( -4.191 0.000 0.550) 4.227 9.389 ( 0.027 0.000 -2.988) 2.988 9.455 ( 0.965 0.000 -1.451) 1.742 9.472 ( -1.460 0.000 3.448) 3.745 9.590 ( -4.068 0.000 2.095) 4.576 9.642 ( -2.661 0.000 4.540) 5.262 9.678 ( -0.746 0.000 3.850) 3.921 9.774 ( -0.066 0.000 3.337) 3.338 9.826 ( -2.420 0.000 5.071) 5.619 9.860 ( 2.458 0.000 3.259) 4.082 9.978 ( -3.531 0.000 -0.137) 3.534 10.027 ( 3.777 0.000 4.282) 5.710 10.047 ( 1.140 0.000 -3.341) 3.530 10.199 ( 0.621 0.000 1.648) 1.761 10.229 ( 1.370 0.000 -3.471) 3.731 10.356 ( 3.423 0.000 0.760) 3.507 10.424 ( 4.154 0.000 0.703) 4.213 10.470 ( 1.151 0.000 0.302) 1.190 10.512 ( 3.685 0.000 -0.637) 3.740 10.579 ( 1.145 0.000 0.028) 1.146 10.667 ( 5.973 0.000 2.227) 6.375 10.747 ( 9.517 0.000 -0.206) 9.520 10.774 ( 6.921 0.000 2.238) 7.274 10.850 ( 6.585 0.000 1.775) 6.820 10.878 ( 2.706 0.000 -0.906) 2.854 11.223 ( 4.528 0.000 -3.007) 5.436 11.355 ( 1.245 0.000 -3.437) 3.655 11.543 ( 1.678 0.000 -7.034) 7.231 11.607 ( 1.330 0.000 -4.933) 5.109 11.652 ( 1.624 0.000 -6.908) 7.096 11.820 ( -1.095 0.000 -6.669) 6.758 11.865 ( 1.196 0.000 -11.781) 11.841 11.989 ( -5.111 0.000 -4.183) 6.604 12.070 ( 2.278 0.000 -8.552) 8.850 12.149 ( -0.610 0.000 -11.121) 11.138 12.172 ( -0.419 0.000 -14.104) 14.110 12.265 ( -3.415 0.000 -11.921) 12.400 12.349 ( 5.414 0.000 -11.732) 12.921 12.676 ( -4.234 0.000 -1.337) 4.440 12.740 ( -0.691 0.000 1.495) 1.647 12.909 ( -2.037 0.000 2.152) 2.963 12.920 ( 1.440 0.000 -0.544) 1.539 13.018 ( 1.477 0.000 3.217) 3.540 13.130 ( 7.490 0.000 -2.371) 7.856 13.256 ( -0.939 0.000 -0.313) 0.989 13.309 ( -1.900 0.000 2.028) 2.779 13.446 ( -2.428 0.000 0.818) 2.562 13.541 ( 0.715 0.000 1.089) 1.303 13.599 ( -1.884 0.000 -0.215) 1.896 13.653 ( 0.971 0.000 5.395) 5.482 13.890 ( 0.191 0.000 0.977) 0.996 13.998 ( 0.135 0.000 -2.603) 2.607 14.032 ( -2.618 0.000 -0.951) 2.785 14.166 ( 1.094 0.000 0.512) 1.207 14.199 ( 0.401 0.000 3.639) 3.661 14.376 ( 0.775 0.000 -3.434) 3.520 14.467 ( 1.527 0.000 -1.749) 2.322 14.568 ( 0.745 0.000 -2.838) 2.934 14.656 ( -1.007 0.000 3.251) 3.403 14.711 ( -1.288 0.000 7.383) 7.494 14.865 ( -2.596 0.000 2.565) 3.649 15.098 ( -4.267 0.000 6.446) 7.731 15.170 ( -2.248 0.000 2.426) 3.308 15.226 ( -1.196 0.000 6.797) 6.901 15.302 ( 4.424 0.000 2.470) 5.067 15.346 ( 2.469 0.000 4.351) 5.003 15.378 ( -2.558 0.000 7.116) 7.562 15.500 ( -3.267 0.000 4.713) 5.735 15.650 ( -2.895 0.000 2.423) 3.775 15.783 ( -1.068 0.000 1.190) 1.599 16.186 ( 9.477 0.000 -8.555) 12.767 16.308 ( 3.561 0.000 -10.312) 10.910 16.495 ( 0.510 0.000 -14.079) 14.088 ======================= Grid point 49 (30/50) ======================= q-point: ( 0.00 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 4.802 -8.090 10.723) 14.265 0.827 ( 6.415 -16.796 -0.284) 17.982 1.112 ( 4.502 9.743 17.878) 20.852 1.335 ( 5.945 -9.661 1.665) 11.465 1.557 ( 3.946 4.307 -8.379) 10.214 1.622 ( 4.123 -1.939 -9.578) 10.607 1.653 ( 8.127 4.213 -0.508) 9.168 1.704 ( 2.709 -2.149 -4.996) 6.076 1.855 ( 0.216 5.323 -3.390) 6.314 1.939 ( 2.482 -1.529 -2.560) 3.880 2.026 ( 1.347 8.995 -9.963) 13.490 2.136 ( -0.402 0.731 -9.344) 9.381 2.174 ( 1.906 4.058 -1.724) 4.803 2.233 ( 1.584 -0.022 -5.916) 6.124 2.334 ( 0.124 7.304 -11.193) 13.365 2.390 ( 3.194 3.033 -1.993) 4.835 2.456 ( 2.189 1.474 -0.289) 2.655 2.514 ( 0.391 1.994 -3.774) 4.286 2.553 ( 0.810 -1.089 -7.594) 7.714 2.662 ( -1.166 -5.155 -0.575) 5.317 2.701 ( 1.103 2.254 -2.096) 3.269 2.767 ( 1.848 -2.991 -7.965) 8.706 2.873 ( -0.778 -0.160 -2.975) 3.079 2.917 ( 3.207 -1.804 -10.364) 10.998 2.971 ( 0.138 -3.757 -4.488) 5.854 3.004 ( -1.135 -4.141 -0.706) 4.351 3.053 ( -4.604 0.305 1.310) 4.797 3.084 ( -1.193 5.269 4.618) 7.107 3.142 ( -0.335 -6.592 2.814) 7.176 3.217 ( 1.230 -5.256 4.606) 7.095 3.282 ( 0.744 2.200 1.482) 2.755 3.310 ( -0.625 -1.434 3.570) 3.898 3.360 ( -1.849 5.684 -1.717) 6.219 3.406 ( -0.342 1.704 -1.610) 2.369 3.457 ( -1.752 1.187 -0.019) 2.116 3.519 ( -0.568 -4.824 3.855) 6.201 3.558 ( -2.120 0.185 -2.677) 3.420 3.617 ( 0.866 -2.731 -5.671) 6.353 3.702 ( -0.606 0.347 0.077) 0.702 3.756 ( -0.498 -0.104 1.369) 1.460 3.795 ( 1.026 -2.687 -3.027) 4.176 3.824 ( -0.627 -0.801 -6.571) 6.649 3.916 ( 0.209 2.375 -3.591) 4.310 3.964 ( -4.973 -0.349 -0.351) 4.998 4.005 ( -2.015 4.866 -0.679) 5.310 4.065 ( -0.274 -2.098 -2.500) 3.275 4.169 ( -0.293 0.585 -2.701) 2.779 4.210 ( 2.887 -1.009 -6.821) 7.475 4.249 ( 1.509 1.207 -2.423) 3.099 4.325 ( 1.379 -0.557 0.903) 1.739 4.389 ( 3.530 -0.429 -3.005) 4.656 4.448 ( 1.113 -4.629 -7.302) 8.717 4.555 ( 1.029 1.824 2.169) 3.015 4.591 ( 2.488 -0.813 -0.578) 2.680 4.679 ( 0.462 2.643 2.034) 3.367 4.720 ( -1.489 0.992 3.135) 3.609 4.771 ( -1.556 1.615 2.655) 3.476 4.827 ( -1.386 -1.141 0.646) 1.908 4.870 ( -1.128 0.011 1.812) 2.134 4.911 ( -0.962 -1.394 -2.066) 2.672 5.030 ( -0.008 0.621 2.002) 2.096 5.054 ( -0.460 -1.825 2.581) 3.194 5.167 ( -1.246 3.184 3.495) 4.889 5.223 ( 0.321 1.389 0.265) 1.450 5.236 ( -2.834 0.410 -2.135) 3.572 5.318 ( -0.454 -0.637 2.799) 2.906 5.380 ( -3.070 5.592 3.933) 7.494 5.491 ( 0.149 0.936 2.018) 2.230 5.514 ( -1.844 -3.346 1.911) 4.272 5.545 ( 0.159 -2.427 -0.655) 2.519 5.630 ( 0.525 -1.000 -1.113) 1.586 5.653 ( -1.771 -1.146 -1.154) 2.405 5.719 ( -0.461 0.545 2.535) 2.634 5.775 ( 1.148 -2.640 0.362) 2.901 5.898 ( 1.330 1.670 4.081) 4.606 5.923 ( 0.344 0.253 1.245) 1.316 6.001 ( 0.339 3.282 2.666) 4.242 6.034 ( 1.336 2.886 -2.169) 3.850 6.099 ( -0.162 -0.745 3.401) 3.485 6.134 ( -0.301 -0.248 0.698) 0.799 6.167 ( -1.878 -1.867 0.237) 2.659 6.224 ( -4.183 -1.185 1.086) 4.482 6.320 ( -1.948 4.385 1.198) 4.945 6.333 ( 1.322 0.758 0.026) 1.524 6.376 ( -0.476 0.423 -0.679) 0.931 6.421 ( -0.162 1.717 -0.071) 1.727 6.433 ( -2.052 0.832 -4.702) 5.197 6.474 ( 3.156 -1.226 6.490) 7.321 6.528 ( -0.831 1.777 3.070) 3.643 6.565 ( -0.980 -3.073 0.788) 3.320 6.655 ( 2.038 0.598 -0.017) 2.124 6.682 ( 0.639 0.020 -1.105) 1.277 6.770 ( 2.035 -0.212 0.696) 2.161 6.789 ( 1.818 -3.459 1.290) 4.115 6.831 ( 0.292 1.609 2.516) 3.001 6.888 ( 0.733 -1.754 1.699) 2.550 6.906 ( 0.596 1.890 6.143) 6.455 6.956 ( 4.964 -0.734 3.140) 5.920 6.988 ( -0.062 2.017 2.064) 2.886 7.036 ( -0.234 -0.315 3.016) 3.041 7.061 ( -0.020 -2.529 5.274) 5.849 7.090 ( -0.942 -2.994 2.863) 4.249 7.129 ( -0.450 3.216 2.689) 4.216 7.186 ( -0.428 -1.418 4.587) 4.820 7.257 ( 1.311 4.290 0.230) 4.492 7.330 ( 2.627 0.392 0.285) 2.672 7.373 ( 3.790 1.549 1.291) 4.293 7.394 ( -3.895 2.848 0.933) 4.914 7.432 ( -2.351 -1.488 -0.029) 2.782 7.481 ( 2.331 -5.025 -0.975) 5.625 7.607 ( 0.227 -0.226 0.219) 0.388 7.615 ( 1.505 -1.198 0.589) 2.012 7.697 ( -0.474 0.403 0.584) 0.854 7.730 ( 1.740 -2.478 -0.494) 3.068 7.801 ( -3.050 1.540 -1.443) 3.709 7.832 ( -1.572 -0.583 -1.768) 2.437 7.925 ( 0.471 1.361 -0.473) 1.516 7.994 ( -0.635 -3.743 0.130) 3.799 8.092 ( -2.034 1.097 -1.214) 2.611 8.119 ( 0.107 -0.544 -1.825) 1.908 8.230 ( -0.434 3.040 2.788) 4.148 8.276 ( 0.010 -0.829 3.198) 3.303 8.352 ( -1.095 1.837 0.709) 2.253 8.385 ( 0.792 -0.653 0.407) 1.105 8.410 ( 0.381 1.537 -0.995) 1.870 8.438 ( -1.069 -1.835 -0.700) 2.236 8.487 ( -1.789 -0.436 4.225) 4.609 8.511 ( -2.076 -0.832 4.251) 4.803 8.579 ( 0.260 -2.198 1.805) 2.856 8.606 ( -2.397 -4.037 3.233) 5.701 8.687 ( -0.157 0.604 1.572) 1.691 8.719 ( 0.943 -2.256 0.246) 2.457 8.789 ( -1.510 1.328 2.220) 2.995 8.814 ( -2.245 -1.103 0.107) 2.503 8.891 ( -0.079 1.560 -0.790) 1.750 8.913 ( -1.806 0.208 3.665) 4.091 9.018 ( 0.143 1.267 -0.229) 1.295 9.068 ( -0.034 -0.735 2.374) 2.486 9.114 ( -3.966 2.161 1.507) 4.761 9.160 ( -2.196 -0.121 2.350) 3.218 9.194 ( 0.465 1.618 -1.303) 2.128 9.234 ( 0.671 -1.708 1.232) 2.210 9.283 ( -0.447 -0.897 -0.571) 1.154 9.306 ( -0.852 -1.638 1.075) 2.137 9.390 ( -0.928 1.372 3.964) 4.296 9.437 ( -0.583 -2.335 2.785) 3.681 9.513 ( -0.106 -0.181 3.533) 3.539 9.519 ( 0.389 0.115 3.495) 3.519 9.632 ( -2.528 2.605 3.641) 5.142 9.705 ( -2.280 -3.341 4.930) 6.377 9.755 ( -0.834 4.148 3.044) 5.212 9.820 ( 0.335 -1.408 2.921) 3.260 9.884 ( -1.101 1.613 5.140) 5.498 9.947 ( -1.750 -0.661 2.505) 3.127 10.029 ( 0.475 2.630 4.932) 5.610 10.110 ( 1.124 -3.433 3.279) 4.879 10.208 ( -2.184 3.664 2.620) 5.006 10.297 ( -2.496 -0.824 2.305) 3.496 10.361 ( -3.491 0.186 -0.999) 3.636 10.397 ( -0.864 -0.900 0.224) 1.268 10.475 ( -4.034 0.900 -3.383) 5.341 10.523 ( -1.112 -2.808 -4.306) 5.260 10.615 ( 1.645 4.808 -2.367) 5.605 10.669 ( -2.831 -0.747 -1.695) 3.383 10.739 ( -6.484 4.663 -4.388) 9.112 10.847 ( -0.318 -4.614 -5.685) 7.329 10.973 ( 6.001 1.009 0.449) 6.101 10.994 ( 8.002 -0.952 0.414) 8.069 11.362 ( -2.829 2.562 -3.868) 5.434 11.384 ( 0.290 0.865 -4.368) 4.463 11.604 ( 4.165 0.414 -4.621) 6.235 11.637 ( 0.584 2.006 -6.370) 6.703 11.654 ( 5.866 -3.043 -4.170) 7.814 11.720 ( 8.901 -4.510 -6.215) 11.755 11.890 ( 2.259 2.247 -8.966) 9.515 11.911 ( 1.115 2.210 -10.315) 10.608 11.971 ( 2.657 -1.549 -6.447) 7.143 12.051 ( 1.387 -5.594 -10.289) 11.794 12.146 ( -0.355 1.415 -11.184) 11.279 12.175 ( 2.443 -2.130 -10.417) 10.909 12.500 ( 1.872 6.389 -6.112) 9.038 12.600 ( -1.153 -2.639 -1.990) 3.500 12.779 ( -1.127 4.545 2.213) 5.179 12.858 ( -2.585 -2.039 2.082) 3.896 12.975 ( 0.673 3.113 1.100) 3.369 13.028 ( 1.474 -1.782 3.359) 4.078 13.194 ( -1.358 0.469 -1.674) 2.206 13.224 ( 2.783 -1.079 -2.605) 3.962 13.331 ( 0.646 1.533 -1.039) 1.961 13.388 ( -0.343 -2.523 1.731) 3.079 13.519 ( -2.229 0.565 -1.437) 2.712 13.560 ( 1.892 -2.583 -2.774) 4.236 13.730 ( -1.023 3.133 1.650) 3.686 13.798 ( -3.158 -2.873 0.039) 4.270 14.052 ( 1.217 2.169 -0.710) 2.586 14.067 ( 4.262 0.994 -1.529) 4.636 14.190 ( -0.889 2.614 5.533) 6.183 14.237 ( 3.246 -0.936 3.260) 4.695 14.388 ( 0.563 1.583 -3.938) 4.282 14.463 ( 1.021 -4.392 -0.481) 4.535 14.590 ( 2.234 -0.006 -0.491) 2.287 14.622 ( -0.412 -3.632 3.235) 4.881 14.741 ( -0.052 3.281 5.175) 6.128 14.834 ( -0.814 -3.701 4.561) 5.930 15.047 ( -2.010 3.267 6.820) 7.825 15.125 ( -2.337 -2.206 6.318) 7.088 15.194 ( -1.231 0.568 3.756) 3.993 15.283 ( -2.266 -4.103 6.193) 7.767 15.348 ( -3.167 0.641 6.387) 7.157 15.388 ( 0.652 -3.498 4.560) 5.784 15.551 ( -0.599 2.906 3.581) 4.650 15.604 ( 0.459 -1.946 4.992) 5.377 15.910 ( -0.523 10.684 -2.195) 10.919 16.112 ( -0.947 -8.659 -7.061) 11.213 16.392 ( 2.575 3.732 -16.533) 17.144 16.429 ( 0.186 0.288 -14.740) 14.744 ======================= Grid point 50 (31/50) ======================= q-point: ( 0.14 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 15.843 -2.741 0.862) 16.102 1.041 ( 13.730 -9.256 2.682) 16.774 1.342 ( 7.873 7.582 14.606) 18.243 1.487 ( 5.286 -3.673 -0.404) 6.450 1.547 ( 5.181 2.292 -15.928) 16.905 1.608 ( 2.176 -3.283 -10.936) 11.624 1.720 ( 0.998 -1.797 0.749) 2.188 1.734 ( 1.518 -2.311 0.296) 2.781 1.921 ( -0.012 3.974 -10.499) 11.226 1.956 ( 6.007 8.732 -4.925) 11.687 2.004 ( 2.978 -2.924 -6.748) 7.934 2.098 ( 2.276 -2.443 -9.108) 9.700 2.202 ( 2.297 1.773 -7.623) 8.157 2.275 ( 2.756 1.314 -1.316) 3.325 2.327 ( 5.990 8.335 -12.687) 16.319 2.406 ( -0.573 0.741 -1.341) 1.636 2.476 ( 2.115 3.293 -8.045) 8.946 2.516 ( -1.704 -5.490 -5.255) 7.788 2.574 ( 6.084 0.526 2.078) 6.451 2.689 ( 4.474 -6.526 -2.950) 8.444 2.750 ( 2.949 0.692 -1.190) 3.254 2.769 ( 1.729 -0.634 -6.067) 6.340 2.855 ( 0.691 1.216 -0.150) 1.407 2.907 ( -0.075 4.505 -2.453) 5.130 2.948 ( 3.464 -5.382 -8.537) 10.670 3.010 ( 1.316 -2.607 -1.717) 3.387 3.038 ( 3.429 2.963 -1.000) 4.641 3.091 ( -1.177 6.176 6.238) 8.857 3.190 ( 2.700 -3.985 0.925) 4.902 3.241 ( -2.444 4.985 -0.349) 5.563 3.269 ( 0.106 -1.801 2.824) 3.351 3.333 ( 0.952 -2.195 3.064) 3.888 3.364 ( 0.718 0.331 3.886) 3.966 3.413 ( 2.139 1.466 -4.143) 4.887 3.437 ( -1.239 -0.733 1.101) 1.812 3.474 ( -2.902 -1.805 -0.993) 3.558 3.562 ( 1.944 -1.113 2.490) 3.350 3.634 ( 2.153 -3.660 -1.636) 4.551 3.695 ( 0.555 -0.308 -0.531) 0.828 3.747 ( -1.959 -1.698 1.282) 2.892 3.800 ( 2.703 0.899 0.345) 2.869 3.858 ( 2.756 -2.003 -4.539) 5.675 3.915 ( 1.404 1.388 -1.188) 2.304 3.952 ( 2.378 -1.117 0.522) 2.679 3.981 ( 0.984 4.585 -1.790) 5.019 4.069 ( 2.787 -3.224 -3.655) 5.615 4.153 ( 1.225 2.418 -4.072) 4.892 4.212 ( 0.158 -0.929 -5.398) 5.480 4.266 ( 2.347 -0.202 -3.304) 4.058 4.335 ( 0.135 -3.260 -1.735) 3.696 4.413 ( -0.119 -1.725 -5.247) 5.524 4.445 ( 2.498 -2.305 -0.260) 3.409 4.558 ( -0.809 2.502 -0.322) 2.649 4.630 ( 1.031 -3.598 2.406) 4.449 4.699 ( -0.386 2.732 0.632) 2.830 4.714 ( 1.127 2.746 0.881) 3.096 4.758 ( -0.353 -0.314 -0.073) 0.478 4.817 ( -1.871 2.278 1.135) 3.159 4.839 ( -0.687 -0.245 1.643) 1.798 4.897 ( -0.019 -0.353 -4.775) 4.788 5.016 ( -1.482 1.852 1.180) 2.649 5.080 ( -0.169 -3.718 1.556) 4.034 5.152 ( -1.730 2.533 2.354) 3.867 5.181 ( 0.186 0.898 -4.189) 4.288 5.244 ( -0.018 1.447 2.378) 2.784 5.303 ( -0.939 -2.082 1.171) 2.567 5.382 ( -0.093 6.274 4.936) 7.983 5.460 ( -1.951 -0.868 1.026) 2.369 5.507 ( -1.330 -2.397 1.363) 3.061 5.524 ( -2.283 -2.980 2.231) 4.367 5.614 ( -1.265 -0.390 1.481) 1.986 5.636 ( 0.468 -2.201 1.899) 2.944 5.740 ( 1.556 2.141 -0.596) 2.713 5.795 ( 1.062 -2.509 -1.960) 3.356 5.909 ( -1.863 1.889 3.469) 4.368 5.925 ( -0.115 1.212 1.248) 1.743 5.987 ( -4.420 2.204 3.289) 5.934 6.015 ( -2.957 1.194 1.539) 3.541 6.087 ( 0.285 2.142 -3.033) 3.724 6.109 ( -3.210 -0.338 5.238) 6.153 6.154 ( 0.228 -3.140 2.767) 4.192 6.179 ( -3.104 -5.921 2.488) 7.133 6.274 ( -1.495 4.794 -0.840) 5.092 6.310 ( -3.432 2.264 -0.512) 4.144 6.354 ( -1.959 2.572 -1.791) 3.696 6.372 ( -1.303 1.217 2.640) 3.186 6.463 ( 3.555 1.789 -0.838) 4.067 6.523 ( -0.454 -1.886 0.889) 2.134 6.545 ( -1.759 0.031 1.973) 2.643 6.586 ( 2.664 -1.769 1.031) 3.360 6.667 ( 0.493 -0.999 -1.221) 1.653 6.691 ( 0.061 -0.652 0.029) 0.656 6.776 ( -1.289 -2.168 0.794) 2.644 6.813 ( -0.888 -3.482 2.737) 4.517 6.882 ( 3.106 2.678 2.661) 4.888 6.916 ( 3.243 -0.264 -0.431) 3.282 6.988 ( 1.258 4.111 3.862) 5.779 7.028 ( 3.366 -0.155 4.278) 5.445 7.038 ( 2.483 1.074 3.462) 4.394 7.068 ( 0.831 1.001 1.394) 1.907 7.089 ( -0.339 0.776 3.345) 3.451 7.113 ( 3.418 -3.437 3.187) 5.802 7.151 ( 0.320 0.517 1.095) 1.252 7.182 ( 0.879 -0.513 3.496) 3.641 7.281 ( -1.433 3.931 1.537) 4.458 7.332 ( -0.231 2.790 -2.111) 3.507 7.370 ( 1.945 -0.418 0.840) 2.159 7.423 ( 1.473 -2.152 -1.214) 2.877 7.487 ( 5.842 1.779 -1.520) 6.294 7.517 ( 1.689 -1.007 -1.328) 2.373 7.617 ( 1.482 -0.388 1.452) 2.111 7.656 ( 1.416 -2.627 -0.681) 3.061 7.713 ( -1.392 1.867 1.117) 2.583 7.731 ( 0.868 1.513 -1.615) 2.377 7.806 ( 3.091 -2.699 -0.178) 4.108 7.818 ( 0.837 -1.399 -0.411) 1.681 7.940 ( 1.096 0.840 -1.785) 2.257 7.982 ( -0.944 -4.046 -1.387) 4.380 8.057 ( -0.052 2.812 1.018) 2.991 8.115 ( -0.554 -0.791 1.861) 2.097 8.212 ( -2.081 0.536 0.327) 2.174 8.259 ( -3.014 -2.207 1.719) 4.112 8.308 ( -1.565 1.146 -1.114) 2.237 8.349 ( -3.328 -2.610 0.840) 4.312 8.387 ( -3.789 0.338 1.025) 3.940 8.430 ( -2.833 -2.538 1.718) 4.173 8.472 ( 1.547 3.197 4.021) 5.365 8.518 ( 0.007 0.836 5.887) 5.946 8.583 ( -0.069 -1.674 2.211) 2.774 8.609 ( -0.627 -1.379 4.420) 4.672 8.667 ( -1.563 1.449 -0.489) 2.186 8.702 ( -0.716 -2.723 -0.619) 2.883 8.763 ( -2.373 0.741 1.950) 3.160 8.783 ( -1.350 -0.726 0.998) 1.829 8.877 ( -0.897 1.866 1.744) 2.707 8.936 ( -4.002 -1.929 -0.527) 4.473 8.999 ( 2.776 0.762 2.003) 3.507 9.023 ( -3.088 -1.188 0.008) 3.309 9.062 ( -2.374 3.869 2.049) 4.981 9.175 ( 1.340 -1.154 1.925) 2.614 9.206 ( -0.732 -0.463 0.301) 0.917 9.249 ( 0.011 -0.055 2.143) 2.144 9.282 ( -0.002 -0.994 0.311) 1.042 9.316 ( -0.623 -1.939 2.649) 3.341 9.371 ( -3.700 2.688 5.221) 6.941 9.432 ( -3.015 -2.747 5.498) 6.846 9.497 ( -3.447 2.177 2.242) 4.653 9.526 ( -1.911 0.105 4.626) 5.007 9.607 ( 0.932 3.310 3.637) 5.005 9.700 ( 0.707 -2.903 3.811) 4.842 9.786 ( 0.780 3.501 4.655) 5.877 9.852 ( 0.540 -2.976 4.914) 5.770 9.918 ( 1.110 2.332 4.733) 5.392 9.950 ( 0.681 0.420 4.062) 4.140 10.050 ( -1.373 1.641 4.399) 4.891 10.092 ( -4.077 0.224 4.323) 5.946 10.186 ( -4.635 -0.963 1.680) 5.023 10.207 ( -5.800 -1.992 0.753) 6.179 10.272 ( -4.317 2.477 -0.037) 4.977 10.308 ( -3.626 -2.119 1.207) 4.370 10.422 ( -0.132 2.850 -1.874) 3.414 10.488 ( -0.341 -3.459 -2.516) 4.291 10.542 ( -6.334 1.387 -0.712) 6.524 10.558 ( -6.246 0.563 0.409) 6.284 10.678 ( 0.799 5.749 -3.844) 6.962 10.818 ( -1.053 -6.964 -3.317) 7.786 11.033 ( 1.109 3.474 -2.108) 4.212 11.089 ( 1.639 -2.016 -1.651) 3.078 11.333 ( -0.088 1.969 -2.654) 3.306 11.380 ( -0.006 -2.080 -4.414) 4.879 11.550 ( 1.859 2.445 -7.800) 8.383 11.593 ( 1.151 -1.272 -6.738) 6.953 11.694 ( -0.682 1.594 -6.939) 7.152 11.776 ( -1.130 -5.700 -8.613) 10.390 11.916 ( 3.250 1.844 -10.975) 11.594 11.956 ( 4.820 1.219 -10.949) 12.025 11.990 ( 1.016 -1.427 -8.201) 8.386 12.023 ( 3.198 -0.662 -7.594) 8.266 12.123 ( 3.677 0.393 -7.053) 7.963 12.187 ( 2.584 -4.708 -10.250) 11.572 12.510 ( 3.103 4.484 -6.178) 8.240 12.591 ( 0.922 -2.537 -2.078) 3.406 12.781 ( 0.503 2.486 1.904) 3.172 12.840 ( -0.619 -2.050 2.770) 3.501 12.984 ( -0.374 4.169 2.307) 4.780 13.066 ( -0.137 -3.623 5.263) 6.391 13.151 ( -0.721 5.747 -4.384) 7.264 13.267 ( 2.686 -3.627 -4.358) 6.274 13.337 ( 1.310 2.541 -2.957) 4.112 13.394 ( 0.222 -2.323 1.782) 2.936 13.478 ( -0.734 4.119 -1.752) 4.536 13.602 ( 3.336 -6.104 -4.370) 8.214 13.711 ( -1.215 2.869 2.510) 4.001 13.764 ( -0.701 -2.097 2.200) 3.119 14.074 ( 1.023 3.861 -0.322) 4.007 14.126 ( 1.169 0.919 1.215) 1.920 14.191 ( -0.658 3.765 2.831) 4.757 14.299 ( 1.982 -0.923 0.390) 2.220 14.387 ( 1.707 -0.366 -4.794) 5.102 14.457 ( -2.181 -7.562 0.997) 7.933 14.627 ( 1.626 1.037 0.397) 1.969 14.668 ( 3.551 -2.803 1.432) 4.746 14.771 ( -0.184 2.449 5.491) 6.015 14.850 ( -0.495 -3.457 5.151) 6.223 15.053 ( -1.491 7.549 7.628) 10.835 15.132 ( -0.283 0.194 5.960) 5.969 15.201 ( 0.112 -3.124 3.761) 4.890 15.242 ( -4.435 -3.495 5.744) 8.055 15.343 ( -0.562 2.046 4.963) 5.397 15.405 ( -1.179 -3.020 4.490) 5.538 15.570 ( 1.048 2.717 4.170) 5.086 15.633 ( -1.109 -2.967 5.639) 6.468 15.895 ( 0.066 8.704 -2.372) 9.021 16.026 ( -3.110 -3.595 -6.891) 8.371 16.304 ( -2.927 2.868 -13.159) 13.782 16.380 ( 2.600 -3.817 -14.579) 15.293 ======================= Grid point 51 (32/50) ======================= q-point: ( 0.29 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 8.168 0.585 0.432) 8.200 1.292 ( 6.964 -0.739 -0.865) 7.057 1.406 ( 4.006 -1.061 -10.672) 11.449 1.469 ( 2.342 -4.233 -9.645) 10.790 1.638 ( 6.182 2.562 -5.633) 8.747 1.701 ( 6.408 -0.276 -5.295) 8.317 1.751 ( 2.426 1.264 0.294) 2.751 1.808 ( 5.002 -1.202 -5.386) 7.448 1.873 ( 3.248 2.538 -8.251) 9.224 1.942 ( 2.909 -1.140 -12.714) 13.093 2.078 ( 1.996 3.407 -1.068) 4.091 2.146 ( 5.638 -1.329 -1.945) 6.111 2.170 ( -0.916 1.966 -7.478) 7.786 2.290 ( 1.150 -1.208 -4.191) 4.511 2.370 ( 2.676 -1.270 -3.199) 4.360 2.415 ( 0.646 2.656 -2.334) 3.594 2.479 ( 3.317 -3.582 -1.773) 5.194 2.515 ( 2.886 1.468 -3.202) 4.553 2.671 ( 2.891 0.554 -3.979) 4.950 2.704 ( -1.980 -0.178 -0.208) 1.998 2.745 ( 0.987 -1.058 -3.251) 3.559 2.814 ( 3.626 -4.882 -3.790) 7.166 2.887 ( 3.025 2.985 -4.679) 6.321 2.919 ( -0.539 2.721 -1.433) 3.122 2.980 ( 4.245 -4.333 -8.811) 10.697 3.021 ( 0.058 -3.146 -0.369) 3.169 3.081 ( 0.435 3.315 0.035) 3.343 3.133 ( 2.020 3.049 -2.814) 4.615 3.204 ( 2.435 1.449 1.117) 3.046 3.287 ( 1.004 -0.065 3.775) 3.906 3.299 ( -0.456 1.660 -0.564) 1.811 3.331 ( 4.190 4.393 7.532) 9.674 3.390 ( 0.326 -0.561 0.475) 0.804 3.427 ( 2.940 -1.263 3.188) 4.517 3.464 ( 3.790 0.933 -0.388) 3.923 3.503 ( 2.966 -0.916 1.544) 3.467 3.618 ( 2.392 -0.028 3.025) 3.856 3.667 ( 2.394 -2.432 -0.811) 3.508 3.723 ( 2.305 0.206 0.827) 2.457 3.754 ( 1.582 -0.167 1.514) 2.196 3.848 ( 2.470 -0.703 -1.964) 3.233 3.877 ( 1.374 -0.802 -1.302) 2.055 3.922 ( 0.368 2.113 -1.100) 2.410 3.959 ( -0.235 -1.307 -2.252) 2.614 4.047 ( 4.005 1.789 -1.341) 4.587 4.107 ( 1.725 -1.624 -2.771) 3.645 4.172 ( 0.826 1.535 -3.736) 4.122 4.198 ( 1.388 -1.578 -0.325) 2.127 4.308 ( 1.537 -4.517 -2.823) 5.544 4.323 ( 2.593 -3.061 -3.324) 5.210 4.413 ( 1.178 0.269 -1.725) 2.106 4.462 ( -1.714 -3.992 0.768) 4.412 4.543 ( -0.336 3.838 1.300) 4.066 4.635 ( -2.621 -4.664 3.924) 6.635 4.697 ( -0.315 2.461 1.128) 2.725 4.722 ( -0.808 0.648 -2.136) 2.374 4.759 ( 0.333 0.544 1.428) 1.564 4.790 ( -0.523 -0.004 -0.421) 0.671 4.818 ( -1.703 4.605 0.090) 4.911 4.876 ( 1.124 0.796 -5.934) 6.092 5.003 ( -0.573 -0.074 -0.665) 0.881 5.048 ( -1.264 -2.466 -1.752) 3.278 5.123 ( -1.504 4.511 0.081) 4.756 5.199 ( 0.899 -3.026 1.757) 3.613 5.244 ( -0.725 1.927 1.544) 2.573 5.310 ( 0.587 -3.915 0.607) 4.005 5.393 ( -0.032 2.301 1.301) 2.644 5.452 ( 0.925 -2.415 1.443) 2.961 5.499 ( -0.300 0.552 1.049) 1.222 5.515 ( 0.676 -1.883 0.849) 2.173 5.605 ( -1.031 2.639 2.534) 3.801 5.656 ( -0.603 -1.341 2.915) 3.265 5.752 ( -0.141 1.136 -0.954) 1.490 5.794 ( -0.981 -1.664 1.761) 2.614 5.876 ( -4.832 2.023 2.251) 5.702 5.901 ( -3.236 0.030 5.708) 6.562 5.934 ( -1.193 0.192 3.664) 3.858 5.964 ( -1.665 -0.968 -2.205) 2.928 6.061 ( -1.005 5.129 0.883) 5.300 6.103 ( -0.811 2.646 -0.476) 2.808 6.139 ( -1.891 -1.357 3.518) 4.218 6.170 ( 0.097 -2.213 -2.740) 3.523 6.229 ( -1.057 0.580 -1.510) 1.933 6.263 ( 0.094 -2.191 -1.209) 2.505 6.323 ( -0.496 5.193 1.305) 5.377 6.395 ( -0.103 1.297 5.915) 6.056 6.466 ( -3.158 -2.311 -0.398) 3.933 6.478 ( -3.224 -3.240 1.962) 4.974 6.546 ( 1.457 2.560 -2.326) 3.753 6.612 ( 0.999 1.634 -1.537) 2.455 6.658 ( -0.468 -1.723 0.673) 1.908 6.715 ( 0.800 -5.831 -1.129) 5.993 6.768 ( 0.791 0.613 1.497) 1.801 6.804 ( -1.400 -1.803 2.486) 3.375 6.917 ( 1.048 4.827 -0.956) 5.031 6.963 ( -0.401 0.894 2.369) 2.564 7.017 ( -0.910 -0.430 3.328) 3.477 7.047 ( -3.007 0.036 -0.084) 3.009 7.077 ( 1.250 4.076 -2.247) 4.819 7.094 ( 1.240 1.382 2.313) 2.966 7.149 ( 1.410 -0.112 0.779) 1.615 7.166 ( 3.259 0.157 -0.604) 3.318 7.186 ( -0.058 1.294 4.281) 4.473 7.215 ( 2.685 1.072 2.760) 3.996 7.292 ( 2.765 -4.126 2.950) 5.777 7.319 ( -2.052 -2.436 3.263) 4.560 7.406 ( 1.835 3.826 -0.625) 4.289 7.467 ( 2.807 -1.083 0.546) 3.058 7.538 ( 1.777 -0.979 -3.005) 3.626 7.567 ( 1.480 -3.515 -2.777) 4.718 7.650 ( 1.506 0.904 1.100) 2.073 7.669 ( 1.685 0.346 -2.094) 2.710 7.701 ( 0.018 3.472 -0.057) 3.473 7.759 ( 1.014 -1.093 -1.266) 1.956 7.800 ( -0.255 -1.011 -1.490) 1.819 7.844 ( 1.229 -2.670 2.220) 3.683 7.938 ( -0.119 2.007 -1.189) 2.336 7.984 ( 1.616 -1.423 -1.693) 2.739 8.066 ( -1.822 1.952 1.199) 2.927 8.098 ( -2.195 0.226 2.427) 3.280 8.165 ( -3.668 -0.916 1.721) 4.154 8.200 ( -1.955 -3.963 -0.609) 4.460 8.258 ( -2.290 2.381 -0.581) 3.354 8.332 ( -1.121 0.105 2.141) 2.419 8.352 ( 0.681 -2.273 3.142) 3.937 8.431 ( 2.172 -5.197 1.882) 5.939 8.509 ( -0.430 2.876 2.689) 3.961 8.554 ( 0.290 0.665 5.205) 5.256 8.584 ( -0.953 1.396 2.466) 2.990 8.616 ( -0.574 0.354 3.748) 3.808 8.667 ( 0.635 1.439 5.234) 5.466 8.706 ( -0.168 -0.161 1.024) 1.050 8.753 ( 0.562 -1.177 2.988) 3.260 8.785 ( 1.363 -3.167 -1.238) 3.664 8.819 ( -2.416 0.533 -0.819) 2.606 8.846 ( -3.999 -2.361 -1.271) 4.815 9.008 ( -0.449 2.780 1.766) 3.324 9.052 ( -0.064 0.393 2.202) 2.238 9.060 ( 1.132 2.699 2.577) 3.899 9.136 ( -5.904 -0.016 3.071) 6.655 9.196 ( 0.031 5.009 0.836) 5.078 9.227 ( -2.693 1.354 2.535) 3.939 9.273 ( -1.703 -1.814 1.518) 2.915 9.301 ( -3.729 1.910 5.450) 6.874 9.347 ( 0.035 -3.957 8.497) 9.373 9.388 ( -3.938 -4.003 7.017) 8.987 9.457 ( -2.071 1.127 4.503) 5.083 9.526 ( -0.625 -3.751 3.372) 5.082 9.662 ( 0.802 3.020 3.079) 4.387 9.719 ( -1.362 -2.703 3.014) 4.271 9.815 ( -0.365 3.757 2.805) 4.703 9.879 ( -1.283 -1.008 4.159) 4.468 9.925 ( -2.368 1.809 2.797) 4.087 9.981 ( -0.858 1.139 2.433) 2.820 9.996 ( -2.604 2.310 2.448) 4.255 10.069 ( -3.646 0.346 1.325) 3.895 10.103 ( 0.068 -1.422 3.963) 4.211 10.161 ( 2.093 -1.065 3.570) 4.273 10.234 ( -1.870 1.600 2.193) 3.296 10.298 ( -0.118 -4.299 2.043) 4.761 10.412 ( -1.666 1.416 0.381) 2.219 10.427 ( -3.280 0.396 -0.860) 3.414 10.477 ( -3.057 0.585 0.997) 3.268 10.494 ( 0.931 -0.643 1.210) 1.657 10.679 ( 0.587 3.300 -1.132) 3.537 10.766 ( -1.992 -4.306 -2.490) 5.359 11.001 ( -3.995 3.066 -3.641) 6.215 11.040 ( -5.873 -0.705 -4.203) 7.257 11.282 ( -1.334 2.898 -6.448) 7.194 11.356 ( 3.346 -3.322 -9.466) 10.575 11.542 ( -1.173 3.564 -8.078) 8.907 11.611 ( 1.020 2.278 -5.501) 6.041 11.638 ( 0.390 -4.141 -7.098) 8.227 11.715 ( 0.164 -5.941 -8.011) 9.975 11.866 ( 0.788 3.088 -9.641) 10.154 11.950 ( 1.594 -1.653 -8.549) 8.852 12.007 ( 1.983 0.747 -8.595) 8.853 12.034 ( 4.572 -0.501 -11.975) 12.828 12.167 ( 3.898 -0.273 -5.734) 6.939 12.200 ( 5.215 -5.423 -8.549) 11.388 12.531 ( 1.436 4.403 -6.162) 7.709 12.611 ( 2.673 -3.370 -2.437) 4.943 12.804 ( 0.409 2.630 1.908) 3.274 12.853 ( 0.116 -1.658 3.039) 3.463 12.989 ( -0.459 4.976 3.060) 5.860 13.059 ( -2.496 1.143 0.043) 2.746 13.149 ( 2.130 3.874 -0.037) 4.421 13.278 ( 1.203 -4.725 -7.101) 8.614 13.343 ( 1.185 1.763 -2.524) 3.300 13.408 ( -0.150 -4.234 2.344) 4.842 13.483 ( 0.984 5.944 1.002) 6.107 13.612 ( 0.155 -5.261 -3.294) 6.209 13.720 ( 0.030 3.474 2.745) 4.428 13.787 ( 1.864 -2.777 0.861) 3.454 14.081 ( -0.190 5.254 0.400) 5.273 14.139 ( -0.685 4.776 3.749) 6.110 14.188 ( 0.073 -2.245 -2.210) 3.151 14.316 ( -0.846 -3.417 0.960) 3.648 14.392 ( -0.344 -1.699 -2.337) 2.910 14.416 ( 0.364 -4.301 -2.489) 4.982 14.656 ( 0.891 2.787 0.507) 2.970 14.736 ( 2.302 -3.733 0.729) 4.446 14.780 ( -1.386 3.188 4.478) 5.669 14.860 ( -1.166 -4.208 5.708) 7.186 15.046 ( -2.791 7.642 5.681) 9.923 15.160 ( -1.256 -3.435 5.503) 6.607 15.207 ( -0.615 0.165 4.551) 4.596 15.238 ( 0.994 -1.721 5.069) 5.445 15.362 ( -0.220 0.728 3.486) 3.568 15.399 ( -1.315 -2.438 4.304) 5.119 15.610 ( -1.355 0.231 4.364) 4.575 15.638 ( 0.985 -1.220 3.987) 4.285 15.875 ( -0.617 6.693 -2.537) 7.184 15.971 ( 0.771 -0.849 -4.681) 4.819 16.184 ( -2.904 7.003 -9.955) 12.513 16.368 ( 3.249 -8.706 -12.456) 15.540 ======================= Grid point 52 (33/50) ======================= q-point: ( 0.43 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( -7.868 1.988 -8.920) 12.059 1.213 ( -6.473 -1.145 -6.516) 9.256 1.500 ( 1.336 -1.429 -9.242) 9.447 1.544 ( 4.582 -4.263 -8.981) 10.946 1.674 ( -0.170 2.130 -5.229) 5.648 1.707 ( 1.088 -0.640 -7.709) 7.812 1.769 ( 1.971 3.571 -8.577) 9.497 1.831 ( 2.019 -1.689 -8.322) 8.728 1.941 ( 5.941 2.757 -6.501) 9.229 2.033 ( 8.195 -3.198 -6.577) 10.984 2.121 ( 1.399 2.895 -2.964) 4.373 2.143 ( 2.499 0.415 -2.877) 3.833 2.208 ( 3.157 1.008 0.568) 3.362 2.312 ( 2.591 -3.191 -3.419) 5.347 2.394 ( 0.906 -1.198 -0.131) 1.508 2.421 ( 0.678 -2.117 -1.711) 2.805 2.469 ( -4.356 5.447 1.933) 7.237 2.597 ( 2.439 -4.402 0.349) 5.045 2.661 ( 0.932 2.267 -2.251) 3.328 2.701 ( 3.221 1.932 -0.546) 3.796 2.774 ( -1.831 -2.007 -0.426) 2.750 2.797 ( 0.140 -1.216 0.064) 1.225 2.865 ( -0.424 2.969 -2.733) 4.057 2.936 ( 2.773 0.952 -3.382) 4.476 3.012 ( 2.899 -1.833 -6.638) 7.472 3.035 ( 2.242 -3.766 -7.094) 8.339 3.094 ( 1.946 2.025 -0.273) 2.821 3.148 ( 1.720 -2.765 -2.995) 4.425 3.233 ( 0.091 4.577 2.017) 5.003 3.298 ( 1.300 2.744 1.717) 3.488 3.342 ( 0.968 -0.935 0.590) 1.470 3.396 ( 4.263 -1.107 0.927) 4.501 3.444 ( 1.839 -0.841 -1.624) 2.593 3.505 ( 2.028 -2.606 -4.389) 5.492 3.562 ( 5.245 2.356 3.218) 6.589 3.579 ( 3.472 1.059 6.988) 7.875 3.679 ( 1.143 2.027 4.430) 5.004 3.723 ( 2.249 -1.072 0.562) 2.554 3.778 ( 3.350 1.018 -1.172) 3.693 3.808 ( 1.017 2.092 1.816) 2.951 3.849 ( -0.071 0.702 -0.378) 0.800 3.879 ( -1.362 0.276 0.352) 1.434 3.936 ( 1.365 -1.344 -3.700) 4.166 3.966 ( 2.298 -0.537 -1.500) 2.796 4.078 ( -0.655 2.266 -0.229) 2.370 4.109 ( 0.192 1.371 -3.703) 3.953 4.152 ( 0.178 -1.489 -2.453) 2.875 4.203 ( -0.276 -5.353 -0.370) 5.372 4.321 ( 1.304 -0.502 -3.568) 3.832 4.356 ( 0.294 -1.183 -2.488) 2.770 4.393 ( -1.767 0.428 1.516) 2.367 4.443 ( 1.042 -5.442 -4.132) 6.912 4.545 ( -1.364 0.398 2.839) 3.175 4.591 ( -3.782 -2.698 5.736) 7.381 4.671 ( -2.642 0.311 -0.298) 2.677 4.676 ( -2.499 1.667 1.052) 3.183 4.751 ( -1.098 1.897 -1.027) 2.420 4.814 ( 2.027 -1.132 -0.119) 2.325 4.831 ( 2.395 3.877 2.867) 5.384 4.888 ( 3.130 0.339 -2.321) 3.911 4.983 ( 0.327 1.497 -3.150) 3.503 5.046 ( 1.841 -1.881 -3.197) 4.141 5.119 ( 0.403 4.788 3.135) 5.737 5.212 ( -1.357 -2.740 5.382) 6.189 5.241 ( 0.460 0.196 -1.145) 1.249 5.311 ( -0.279 -6.142 -1.523) 6.335 5.423 ( 1.502 3.185 2.481) 4.308 5.473 ( -2.416 1.732 1.511) 3.335 5.491 ( 1.194 -0.708 -0.983) 1.701 5.544 ( 2.384 -2.934 -3.073) 4.872 5.587 ( -2.589 1.938 2.986) 4.401 5.648 ( -1.450 -3.993 4.441) 6.145 5.734 ( -1.089 1.517 0.796) 2.030 5.781 ( -1.972 -0.771 -0.330) 2.143 5.803 ( -1.694 1.418 3.317) 3.985 5.848 ( -3.507 -2.160 2.046) 4.599 5.939 ( -1.179 3.507 3.010) 4.769 5.970 ( 0.612 1.907 5.408) 5.767 6.036 ( -1.417 5.644 -1.708) 6.065 6.084 ( 1.010 -1.966 -0.687) 2.315 6.136 ( 0.535 1.150 0.272) 1.297 6.169 ( 1.131 0.708 -1.866) 2.294 6.231 ( 0.128 -2.840 -2.683) 3.909 6.247 ( -0.901 -2.647 -3.554) 4.522 6.350 ( 2.269 3.925 2.923) 5.395 6.396 ( -1.671 0.454 2.512) 3.051 6.430 ( 0.886 0.411 2.390) 2.581 6.482 ( 1.161 -3.995 3.110) 5.194 6.546 ( 0.076 3.138 -1.262) 3.383 6.617 ( 0.144 0.831 -0.714) 1.105 6.660 ( -1.089 -2.942 0.888) 3.260 6.689 ( -2.605 -3.530 -1.142) 4.533 6.781 ( -1.573 0.691 2.047) 2.672 6.792 ( 0.005 -0.450 -0.225) 0.503 6.898 ( -3.020 4.684 -1.129) 5.687 6.929 ( -3.112 1.706 -0.037) 3.549 6.979 ( -1.273 -0.673 1.372) 1.989 7.001 ( -2.126 0.799 -1.135) 2.539 7.065 ( -0.881 2.784 0.882) 3.050 7.110 ( -1.410 0.623 -2.544) 2.975 7.146 ( 1.086 -1.268 -0.191) 1.681 7.183 ( -0.282 -1.600 0.180) 1.634 7.232 ( -0.946 -1.643 3.213) 3.731 7.266 ( 0.696 -1.696 0.464) 1.891 7.300 ( -0.915 3.349 3.816) 5.159 7.354 ( -0.280 -0.069 4.851) 4.860 7.440 ( 1.181 0.727 -3.600) 3.858 7.478 ( -1.540 -0.715 0.753) 1.857 7.539 ( 0.979 -2.810 -0.826) 3.088 7.566 ( 1.418 -3.999 -1.732) 4.582 7.675 ( -0.515 0.992 -0.886) 1.426 7.693 ( -0.332 -0.049 1.238) 1.283 7.700 ( 2.176 1.687 -1.889) 3.339 7.762 ( 0.829 -3.399 -1.555) 3.828 7.841 ( 3.649 2.132 0.845) 4.310 7.885 ( 0.862 -0.627 -0.445) 1.155 7.932 ( 1.010 1.658 0.580) 2.026 7.982 ( -1.651 -2.867 0.376) 3.330 8.029 ( -1.154 3.808 1.699) 4.327 8.086 ( -1.240 -0.963 1.903) 2.467 8.131 ( 0.235 3.137 3.131) 4.439 8.191 ( 1.323 -1.600 0.167) 2.082 8.245 ( 0.728 0.554 0.235) 0.945 8.319 ( -1.220 -3.359 3.330) 4.885 8.388 ( 0.615 0.981 1.907) 2.231 8.464 ( 0.695 -3.563 -2.392) 4.348 8.505 ( -2.473 3.326 4.039) 5.787 8.538 ( -3.431 0.227 4.053) 5.315 8.578 ( -1.200 -0.738 2.664) 3.014 8.613 ( -1.470 -3.436 -0.315) 3.750 8.692 ( -3.273 3.374 5.161) 6.981 8.733 ( 3.513 -0.597 0.284) 3.574 8.749 ( -0.420 -0.601 5.706) 5.753 8.783 ( 0.522 -2.036 0.518) 2.165 8.853 ( 2.971 -0.103 0.278) 2.986 8.866 ( 3.031 -1.805 1.378) 3.788 8.991 ( -1.469 1.889 2.975) 3.818 9.035 ( -1.911 -1.184 2.721) 3.529 9.058 ( -1.200 3.472 3.515) 5.084 9.101 ( 1.171 2.578 2.272) 3.631 9.202 ( -0.051 1.934 1.013) 2.184 9.227 ( -0.388 0.646 3.024) 3.117 9.268 ( 1.079 4.306 3.312) 5.539 9.291 ( 0.343 3.023 6.412) 7.097 9.359 ( -1.632 -2.345 7.879) 8.381 9.403 ( -0.350 -3.332 8.338) 8.986 9.453 ( -2.340 -2.209 8.628) 9.209 9.528 ( -0.646 -7.568 3.906) 8.541 9.655 ( -1.677 2.164 1.992) 3.386 9.700 ( -1.633 -0.971 2.954) 3.512 9.786 ( -2.545 1.208 -0.032) 2.817 9.824 ( -4.440 -1.230 1.018) 4.719 9.898 ( -0.708 3.468 1.474) 3.834 9.963 ( -3.075 0.114 1.955) 3.645 9.997 ( -1.600 -0.132 4.836) 5.095 10.035 ( 0.354 -0.466 1.502) 1.612 10.151 ( 0.402 -0.068 3.917) 3.938 10.194 ( -1.361 -1.700 1.673) 2.746 10.258 ( 2.567 3.662 4.508) 6.350 10.314 ( 1.731 -3.057 0.560) 3.557 10.364 ( -4.048 3.389 2.618) 5.893 10.404 ( 0.237 -0.087 2.490) 2.502 10.451 ( 0.761 1.521 -0.534) 1.783 10.520 ( 0.219 -2.834 1.185) 3.080 10.680 ( -0.743 2.465 -0.404) 2.606 10.731 ( -2.594 -1.874 -3.159) 4.497 10.847 ( -6.718 -0.117 -3.787) 7.713 10.860 ( -7.459 -1.340 -4.207) 8.667 11.254 ( 1.219 7.866 -8.837) 11.894 11.403 ( 4.707 -5.212 -12.383) 14.236 11.464 ( -0.423 4.482 -8.050) 9.223 11.528 ( -1.406 -0.292 -10.306) 10.405 11.640 ( 1.760 -0.526 -4.656) 5.005 11.709 ( 3.221 -5.012 -7.493) 9.573 11.883 ( 2.835 -1.691 -5.480) 6.397 11.941 ( 1.729 -3.630 -10.327) 11.082 12.004 ( 4.187 1.716 -9.300) 10.343 12.084 ( 7.129 -4.625 -9.417) 12.685 12.243 ( 6.720 0.942 -7.035) 9.774 12.268 ( 6.163 -1.340 -10.597) 12.332 12.523 ( 1.499 7.059 -4.643) 8.581 12.656 ( 3.035 -5.903 -2.324) 7.033 12.813 ( -0.569 3.366 2.771) 4.397 12.863 ( -0.994 -1.544 2.960) 3.483 12.970 ( -2.608 6.356 -1.191) 6.973 13.014 ( -1.505 2.604 0.164) 3.012 13.192 ( 0.041 1.181 -0.188) 1.197 13.242 ( 0.925 -1.828 -6.625) 6.935 13.365 ( 1.253 0.682 0.086) 1.429 13.417 ( -0.463 -3.580 3.305) 4.894 13.500 ( -0.400 3.723 3.871) 5.386 13.596 ( -0.544 -4.495 -0.197) 4.532 13.723 ( -1.124 4.117 1.898) 4.670 13.815 ( 0.620 -4.137 -1.362) 4.400 14.078 ( -0.734 5.622 2.124) 6.055 14.128 ( -1.365 5.130 -0.686) 5.353 14.183 ( 0.241 -4.976 -1.309) 5.151 14.273 ( -3.619 -6.285 2.718) 7.745 14.385 ( 1.144 1.554 -2.581) 3.222 14.430 ( 1.619 -2.703 -2.940) 4.309 14.659 ( -0.709 3.842 0.283) 3.917 14.750 ( -1.064 -1.242 1.231) 2.047 14.776 ( -0.926 1.597 1.948) 2.684 14.864 ( -1.617 -4.753 5.782) 7.658 15.028 ( -1.178 5.500 3.865) 6.825 15.136 ( -2.546 -4.866 3.906) 6.739 15.238 ( -0.036 3.162 4.591) 5.575 15.286 ( 0.773 -0.409 6.359) 6.419 15.357 ( -1.848 0.210 3.378) 3.856 15.404 ( -0.574 -4.975 2.861) 5.768 15.596 ( -1.776 1.497 4.498) 5.062 15.660 ( -0.543 -3.771 0.787) 3.891 15.872 ( 1.294 7.373 -2.526) 7.900 15.988 ( 2.273 -3.818 -1.948) 4.852 16.116 ( 1.223 13.370 -7.405) 15.333 16.375 ( 3.742 -10.639 -11.125) 15.842 ======================= Grid point 53 (34/50) ======================= q-point: (-0.43 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -8.091 3.887 -8.080) 12.077 1.061 ( -5.214 -3.887 -6.352) 9.091 1.368 ( -9.559 1.373 -5.697) 11.213 1.489 ( -6.168 -7.995 -4.827) 11.193 1.600 ( -2.645 2.124 -3.204) 4.667 1.650 ( -4.186 -1.728 -5.391) 7.040 1.740 ( -0.868 2.658 -9.552) 9.953 1.799 ( -1.165 -3.296 -7.011) 7.834 1.993 ( 1.284 4.643 -5.215) 7.099 2.048 ( -0.443 0.368 -7.967) 7.987 2.143 ( 2.201 4.045 -4.867) 6.701 2.215 ( 3.384 -2.288 -4.699) 6.226 2.242 ( -0.544 3.604 -2.998) 4.719 2.327 ( 2.603 -0.991 -6.867) 7.410 2.365 ( -2.587 -3.059 -2.022) 4.488 2.430 ( 3.543 0.524 -2.097) 4.150 2.477 ( 2.547 -2.270 -0.175) 3.416 2.568 ( -0.856 -0.870 -4.988) 5.135 2.654 ( -0.593 2.333 -4.711) 5.291 2.721 ( -0.993 -1.550 -0.149) 1.847 2.780 ( 1.506 1.469 -0.631) 2.196 2.813 ( -0.035 -1.433 -1.895) 2.376 2.896 ( 3.457 1.454 4.246) 5.665 2.959 ( 0.967 -0.876 -0.660) 1.462 3.019 ( 0.022 0.662 1.185) 1.357 3.061 ( 2.263 -3.819 -4.567) 6.369 3.103 ( 0.536 4.450 -1.873) 4.858 3.168 ( -1.268 1.407 1.194) 2.239 3.252 ( 0.183 1.213 -1.421) 1.877 3.327 ( 1.933 -2.990 0.987) 3.695 3.337 ( -2.074 3.556 0.463) 4.143 3.407 ( -3.491 -0.495 2.897) 4.564 3.494 ( 1.742 1.817 -3.992) 4.720 3.515 ( 2.027 -2.353 -4.320) 5.320 3.608 ( -1.839 1.251 2.285) 3.189 3.648 ( 0.038 -1.411 -0.851) 1.648 3.695 ( 1.322 0.618 5.522) 5.712 3.735 ( -1.255 -0.034 4.261) 4.442 3.804 ( 0.030 0.848 -2.237) 2.393 3.832 ( -1.889 3.020 1.220) 3.765 3.839 ( 1.704 1.688 -2.890) 3.756 3.884 ( 2.531 0.113 0.551) 2.593 3.923 ( -0.237 -1.756 -1.003) 2.036 4.002 ( 0.117 -7.019 -1.612) 7.203 4.048 ( 1.674 3.898 -0.612) 4.286 4.110 ( 1.039 3.722 -2.157) 4.425 4.180 ( 1.514 -3.527 -1.761) 4.223 4.211 ( 2.086 -4.636 -2.501) 5.666 4.287 ( -0.856 -0.638 -6.921) 7.003 4.314 ( -1.068 -2.689 -4.171) 5.076 4.375 ( -1.077 -0.245 -3.539) 3.707 4.440 ( 0.063 -5.916 -4.651) 7.526 4.525 ( -2.476 2.709 5.409) 6.537 4.569 ( -1.221 -1.150 5.164) 5.429 4.625 ( -1.247 2.199 -1.500) 2.940 4.649 ( -1.314 0.874 3.395) 3.744 4.723 ( -1.863 2.373 0.955) 3.165 4.823 ( -0.746 -3.117 2.018) 3.787 4.909 ( 2.844 5.346 1.294) 6.192 4.959 ( 2.996 1.628 -0.256) 3.419 5.001 ( 2.887 -0.684 -1.028) 3.140 5.075 ( 2.335 -3.619 -1.875) 4.698 5.162 ( 2.087 3.883 4.155) 6.058 5.213 ( -0.990 0.353 4.204) 4.333 5.246 ( 0.623 0.318 -0.066) 0.703 5.300 ( -0.168 -4.457 -0.455) 4.484 5.406 ( -3.496 2.510 2.174) 4.822 5.437 ( -2.286 0.478 1.039) 2.556 5.495 ( -0.057 -0.007 -2.635) 2.636 5.521 ( -2.029 1.066 0.091) 2.294 5.596 ( 1.573 -1.405 -0.101) 2.112 5.652 ( -1.273 -4.884 3.767) 6.298 5.720 ( -0.049 0.914 -0.450) 1.020 5.753 ( 0.320 -1.094 1.312) 1.738 5.812 ( -0.398 -0.190 0.891) 0.994 5.828 ( 0.244 -1.396 2.218) 2.633 5.949 ( 0.511 4.936 4.729) 6.855 5.984 ( -0.963 1.154 3.568) 3.872 6.026 ( 0.442 5.714 -0.986) 5.815 6.105 ( -1.135 -2.249 3.816) 4.572 6.152 ( 2.241 2.294 -3.624) 4.839 6.185 ( -0.802 0.557 -1.266) 1.598 6.207 ( 3.358 -1.727 1.000) 3.906 6.262 ( 2.754 -5.374 -3.074) 6.776 6.382 ( -0.647 2.536 0.412) 2.649 6.410 ( 0.502 1.316 2.449) 2.825 6.466 ( -0.229 2.015 1.103) 2.308 6.496 ( 0.069 -1.826 -2.092) 2.778 6.539 ( 0.472 1.419 1.081) 1.845 6.591 ( -2.631 -2.937 0.522) 3.977 6.639 ( 1.361 1.239 -0.398) 1.883 6.674 ( 1.071 -1.687 1.973) 2.808 6.762 ( -2.135 0.686 -0.073) 2.244 6.775 ( -1.186 -0.404 1.004) 1.606 6.824 ( -2.615 4.083 0.318) 4.859 6.891 ( -1.159 0.036 0.987) 1.523 6.945 ( -1.774 1.316 -0.739) 2.330 7.001 ( -0.444 3.843 1.891) 4.306 7.022 ( -2.987 -1.538 -2.319) 4.082 7.078 ( -0.967 -0.112 0.298) 1.018 7.128 ( -4.623 -2.294 3.288) 6.119 7.162 ( -1.520 -1.382 -0.956) 2.266 7.204 ( -0.930 -0.795 -0.765) 1.443 7.235 ( -2.905 0.460 0.513) 2.985 7.295 ( -1.135 -0.177 0.702) 1.346 7.350 ( -3.554 -1.587 2.832) 4.813 7.368 ( -3.960 2.706 -1.079) 4.916 7.480 ( 0.133 -3.953 0.585) 3.998 7.561 ( 0.273 -0.429 1.665) 1.741 7.603 ( 1.275 -1.751 0.658) 2.264 7.652 ( -0.181 -1.188 -2.924) 3.161 7.665 ( -0.794 -0.825 -1.791) 2.125 7.733 ( 0.440 1.188 0.423) 1.335 7.777 ( 0.331 -1.585 0.145) 1.626 7.877 ( -0.076 3.032 0.051) 3.033 7.902 ( -0.024 0.993 -1.002) 1.412 7.962 ( 2.913 1.213 -2.080) 3.780 7.993 ( 1.905 -2.235 0.329) 2.955 8.023 ( 0.038 2.280 4.922) 5.424 8.076 ( -0.371 -1.947 3.481) 4.006 8.171 ( 1.409 4.821 1.516) 5.247 8.238 ( 1.740 -1.291 1.108) 2.433 8.268 ( 0.644 -0.860 0.484) 1.179 8.322 ( 0.089 -3.464 1.771) 3.891 8.383 ( -1.865 2.409 -0.563) 3.098 8.423 ( -3.064 0.592 -0.182) 3.126 8.469 ( -1.296 2.515 3.692) 4.651 8.511 ( -2.099 -1.049 4.043) 4.675 8.560 ( -0.397 -1.852 -0.976) 2.131 8.600 ( -0.185 -4.892 2.423) 5.462 8.648 ( -3.302 3.960 3.716) 6.356 8.726 ( -2.781 -2.587 0.275) 3.808 8.809 ( 2.798 1.356 2.050) 3.724 8.841 ( 3.233 -0.007 2.494) 4.084 8.885 ( -0.792 -0.279 4.321) 4.402 8.903 ( 1.537 -1.631 4.602) 5.118 8.983 ( -0.440 3.687 1.444) 3.984 9.056 ( 1.706 -0.718 1.177) 2.193 9.116 ( 1.883 2.811 2.318) 4.102 9.145 ( 2.431 1.713 3.700) 4.747 9.209 ( -0.430 1.853 2.561) 3.190 9.249 ( 2.412 0.755 1.808) 3.108 9.316 ( 1.360 -1.516 5.506) 5.870 9.354 ( 1.028 2.339 3.441) 4.286 9.388 ( 0.804 -3.423 3.377) 4.875 9.404 ( -2.504 -2.915 5.524) 6.729 9.474 ( 0.106 -0.704 5.263) 5.311 9.547 ( -0.342 -7.073 4.476) 8.378 9.652 ( 0.637 1.342 5.157) 5.367 9.702 ( -0.840 -2.399 7.066) 7.510 9.741 ( -2.361 2.238 2.629) 4.182 9.785 ( 0.510 -1.064 2.643) 2.894 9.879 ( -5.698 2.801 2.744) 6.917 9.909 ( 0.826 1.699 3.243) 3.753 9.964 ( -3.880 1.951 3.155) 5.368 10.061 ( -0.095 -4.604 1.837) 4.958 10.147 ( -0.569 1.648 3.256) 3.694 10.198 ( 0.665 -1.409 2.634) 3.060 10.290 ( -2.226 6.151 4.835) 8.135 10.318 ( -0.229 2.591 -0.938) 2.765 10.376 ( 2.269 0.790 0.855) 2.550 10.429 ( 0.950 -0.858 -0.326) 1.320 10.469 ( 1.672 -1.255 -1.370) 2.499 10.517 ( -0.234 -2.250 0.679) 2.362 10.594 ( -4.131 -1.562 -1.291) 4.601 10.624 ( -2.300 -2.038 -4.509) 5.457 10.798 ( 1.384 2.016 0.424) 2.482 10.824 ( 0.500 -0.032 2.165) 2.223 11.220 ( 1.176 7.138 -9.854) 12.224 11.349 ( -0.654 -3.933 -10.482) 11.215 11.475 ( 3.789 2.882 -9.439) 10.571 11.524 ( 5.160 -0.679 -10.549) 11.763 11.671 ( 3.960 2.052 -5.174) 6.831 11.748 ( 4.133 -4.662 -6.188) 8.781 11.896 ( 1.592 -4.893 -9.326) 10.651 11.920 ( 3.462 -5.185 -8.831) 10.810 12.066 ( 4.893 4.300 -7.857) 10.206 12.181 ( 6.746 -5.571 -9.265) 12.743 12.294 ( 4.051 3.191 -14.789) 15.662 12.336 ( 5.922 -1.316 -10.145) 11.821 12.552 ( 3.140 7.811 -3.599) 9.156 12.692 ( 1.924 -5.945 -4.934) 7.962 12.813 ( -0.674 2.262 2.642) 3.543 12.841 ( -1.951 -0.799 1.735) 2.731 12.926 ( -0.775 3.680 -1.383) 4.007 12.972 ( -2.763 -0.237 0.196) 2.780 13.136 ( -2.490 5.741 -1.866) 6.530 13.264 ( 1.134 -2.083 -1.742) 2.943 13.380 ( -1.029 0.409 3.290) 3.471 13.417 ( -0.741 -0.762 2.787) 2.983 13.517 ( -0.140 2.057 4.891) 5.308 13.596 ( -0.068 -4.764 2.456) 5.361 13.698 ( -2.186 3.877 1.595) 4.728 13.796 ( -1.218 -5.010 -1.692) 5.426 14.074 ( -1.626 5.329 4.701) 7.289 14.102 ( 0.529 3.115 -4.143) 5.211 14.169 ( -1.514 -3.324 0.680) 3.716 14.226 ( -2.418 -5.212 0.281) 5.753 14.394 ( 0.958 1.709 -2.304) 3.024 14.439 ( 0.696 -2.577 -2.318) 3.535 14.639 ( -1.132 3.424 -0.539) 3.646 14.724 ( -2.080 -1.994 0.302) 2.898 14.758 ( -1.739 2.989 1.971) 3.980 14.860 ( -1.663 -5.087 5.511) 7.682 15.038 ( -0.274 4.313 3.749) 5.721 15.117 ( -1.135 -2.478 3.512) 4.445 15.248 ( -1.231 2.525 4.566) 5.361 15.316 ( -1.214 -2.377 6.086) 6.645 15.332 ( -2.302 1.172 2.684) 3.725 15.396 ( -1.861 -4.403 3.769) 6.087 15.592 ( -1.095 0.936 3.820) 4.082 15.635 ( -2.195 -2.172 0.522) 3.132 15.890 ( 1.994 7.704 -1.135) 8.038 16.015 ( 1.611 -3.046 -2.052) 4.010 16.169 ( 7.454 10.384 -7.093) 14.619 16.399 ( 4.731 -9.959 -11.112) 15.654 ======================= Grid point 54 (35/50) ======================= q-point: (-0.29 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( -6.125 3.605 1.164) 7.202 0.945 ( -6.123 -8.561 -2.695) 10.865 1.142 ( -9.870 3.355 0.283) 10.428 1.322 ( -8.856 -10.492 5.558) 14.813 1.521 ( -3.071 0.405 -8.839) 9.366 1.545 ( -3.857 -2.778 -4.539) 6.572 1.668 ( -0.936 3.796 -7.130) 8.132 1.750 ( -0.336 -4.094 -4.983) 6.458 1.920 ( -3.352 4.836 -4.893) 7.653 1.982 ( -2.126 0.244 -7.627) 7.922 2.120 ( -1.824 4.909 -5.657) 7.709 2.205 ( 0.852 5.729 -6.962) 9.057 2.227 ( 1.396 -0.612 -8.593) 8.727 2.292 ( -1.794 -1.363 -3.296) 3.993 2.360 ( 1.561 4.774 -5.756) 7.639 2.448 ( 0.208 4.405 -7.157) 8.406 2.517 ( 1.961 -4.057 -3.332) 5.604 2.541 ( 1.141 -3.066 -10.127) 10.642 2.611 ( -0.569 2.998 -0.793) 3.153 2.705 ( -1.639 0.505 -2.857) 3.332 2.749 ( -0.208 -2.153 -5.074) 5.515 2.818 ( 0.684 -3.126 -2.981) 4.373 2.945 ( -5.164 3.237 1.087) 6.191 2.980 ( -0.388 1.347 3.620) 3.882 3.009 ( 2.196 -0.931 3.481) 4.220 3.056 ( -1.938 0.320 4.225) 4.659 3.097 ( -3.019 -1.443 0.407) 3.371 3.131 ( -0.536 -1.432 1.638) 2.241 3.208 ( -2.364 1.307 -0.661) 2.781 3.284 ( -1.758 2.404 -3.606) 4.678 3.327 ( -2.272 -2.991 2.333) 4.421 3.404 ( -3.665 -3.485 0.005) 5.057 3.436 ( -2.227 1.580 0.318) 2.749 3.486 ( -2.616 -3.432 -0.591) 4.356 3.577 ( -1.885 4.062 -1.221) 4.641 3.646 ( -2.817 -0.371 -0.651) 2.915 3.666 ( -4.116 1.077 -2.016) 4.708 3.706 ( -1.468 -2.903 0.993) 3.401 3.767 ( -1.973 1.004 -4.653) 5.153 3.806 ( -1.537 -2.527 -2.045) 3.596 3.860 ( 1.995 0.172 -3.832) 4.324 3.911 ( 0.588 -2.433 -2.139) 3.292 3.977 ( 4.646 3.919 0.775) 6.127 4.007 ( 0.645 1.557 2.257) 2.817 4.095 ( 1.310 0.610 -4.605) 4.826 4.126 ( 1.772 -0.386 1.051) 2.096 4.158 ( -1.049 1.442 -4.138) 4.506 4.199 ( -0.823 -1.583 -3.951) 4.335 4.236 ( -0.237 -3.966 -8.432) 9.321 4.301 ( -0.585 -2.225 -3.477) 4.170 4.364 ( 1.939 -2.417 -2.449) 3.950 4.414 ( 0.055 -4.175 -0.922) 4.276 4.503 ( -1.750 4.339 3.382) 5.773 4.565 ( -1.507 -0.568 1.668) 2.319 4.631 ( 2.253 2.159 1.374) 3.410 4.669 ( 1.526 -0.027 2.155) 2.641 4.700 ( -0.343 2.896 0.858) 3.040 4.819 ( -0.727 -3.473 2.730) 4.477 4.930 ( -0.438 5.454 0.798) 5.529 4.971 ( -1.906 0.846 -0.241) 2.099 5.044 ( 1.041 -2.718 1.865) 3.456 5.090 ( -1.063 -4.015 0.689) 4.210 5.204 ( -1.483 3.709 6.034) 7.236 5.232 ( -0.242 1.557 0.939) 1.834 5.276 ( 1.853 0.965 2.978) 3.638 5.312 ( 1.148 -2.822 3.526) 4.660 5.384 ( 1.249 0.758 0.267) 1.485 5.413 ( 1.161 -2.129 1.086) 2.657 5.460 ( -1.041 4.499 -2.553) 5.276 5.526 ( 1.200 1.315 -0.019) 1.781 5.590 ( -1.316 -0.205 0.320) 1.370 5.655 ( 0.924 -4.176 0.952) 4.382 5.734 ( 0.803 0.589 -2.135) 2.356 5.770 ( -0.918 -0.811 2.929) 3.174 5.819 ( 0.399 -1.866 2.323) 3.006 5.851 ( 2.538 -2.182 0.096) 3.348 5.965 ( -0.505 3.522 0.064) 3.559 5.981 ( -0.654 2.711 1.095) 2.996 6.071 ( 2.165 1.294 7.372) 7.791 6.093 ( -0.267 0.169 2.610) 2.629 6.160 ( -1.234 0.173 1.299) 1.800 6.184 ( 0.732 1.797 -1.708) 2.585 6.268 ( 1.255 -2.223 -0.703) 2.648 6.309 ( 4.005 -1.317 -2.518) 4.910 6.368 ( -0.253 1.150 -1.038) 1.570 6.394 ( 0.313 0.119 1.293) 1.336 6.463 ( 0.617 0.822 -0.966) 1.410 6.504 ( 0.798 -0.889 -0.754) 1.413 6.557 ( 0.054 1.809 0.439) 1.862 6.598 ( 0.191 -1.014 3.314) 3.471 6.657 ( 0.547 0.307 1.051) 1.224 6.695 ( -1.672 -2.488 -3.593) 4.679 6.719 ( -0.426 2.954 1.691) 3.430 6.756 ( 0.034 -0.164 -1.158) 1.170 6.817 ( 0.830 3.186 2.318) 4.026 6.880 ( -1.358 0.487 2.082) 2.533 6.907 ( -2.928 2.638 -0.238) 3.949 6.960 ( -1.890 -0.022 1.379) 2.340 6.990 ( -2.315 0.094 4.784) 5.316 7.050 ( -3.922 -1.774 4.226) 6.032 7.065 ( -0.900 -0.420 2.023) 2.254 7.110 ( -4.016 -1.586 1.391) 4.537 7.164 ( -3.040 0.612 0.481) 3.138 7.196 ( -2.287 -2.953 -1.117) 3.899 7.243 ( -2.040 1.271 -0.134) 2.408 7.290 ( -1.306 -1.100 1.571) 2.320 7.358 ( 0.466 2.743 -1.412) 3.121 7.463 ( -1.481 -4.363 0.852) 4.686 7.538 ( -3.533 0.603 2.231) 4.222 7.584 ( -3.908 -2.364 1.427) 4.785 7.632 ( -0.214 -0.491 -2.088) 2.155 7.657 ( -1.746 -0.451 -1.121) 2.123 7.727 ( 0.502 0.310 0.349) 0.686 7.761 ( -1.926 -1.244 2.366) 3.295 7.851 ( -1.286 5.047 -1.357) 5.382 7.927 ( 1.441 -1.624 -2.502) 3.313 7.969 ( -0.230 1.150 -2.629) 2.879 8.019 ( 0.260 -2.088 -1.871) 2.816 8.077 ( 2.594 1.662 3.440) 4.618 8.105 ( 1.554 -1.146 2.378) 3.063 8.186 ( 0.028 2.887 -0.097) 2.888 8.241 ( -1.372 -2.204 -0.208) 2.604 8.277 ( 0.808 1.668 2.247) 2.913 8.321 ( -0.291 0.395 0.894) 1.020 8.362 ( 0.618 2.948 2.234) 3.750 8.426 ( 1.358 0.523 1.943) 2.428 8.472 ( -1.393 -1.844 3.156) 3.912 8.489 ( -0.806 -0.145 4.926) 4.993 8.563 ( 0.709 -1.457 0.366) 1.661 8.615 ( 0.050 -1.698 1.821) 2.490 8.644 ( 1.600 -0.715 0.570) 1.843 8.684 ( -1.143 -2.253 -0.001) 2.527 8.822 ( -1.933 3.100 4.793) 6.027 8.877 ( -1.137 -1.316 4.154) 4.504 8.929 ( 2.188 0.653 2.937) 3.720 8.965 ( 0.067 -0.451 4.995) 5.016 9.000 ( 1.732 1.396 2.172) 3.109 9.054 ( -1.710 -1.041 -1.998) 2.828 9.131 ( -1.274 2.263 1.239) 2.877 9.172 ( -1.089 1.044 2.386) 2.823 9.224 ( 0.815 1.547 1.340) 2.203 9.285 ( -1.328 -1.070 2.751) 3.237 9.351 ( -1.681 1.165 3.108) 3.721 9.366 ( 0.241 -3.301 1.161) 3.507 9.378 ( 0.469 -2.436 1.475) 2.886 9.425 ( 0.605 -3.926 0.509) 4.005 9.464 ( -1.132 1.393 -2.163) 2.811 9.530 ( -1.683 -5.542 2.103) 6.161 9.710 ( -1.740 1.535 7.828) 8.165 9.733 ( -1.632 -1.216 8.210) 8.459 9.764 ( 1.515 2.570 2.551) 3.926 9.783 ( -3.044 2.454 5.292) 6.580 9.864 ( 2.760 0.544 3.420) 4.429 9.910 ( -0.480 -0.529 2.347) 2.454 9.981 ( 2.509 -0.358 6.074) 6.581 10.020 ( -3.194 -2.221 0.996) 4.016 10.212 ( 2.507 4.343 4.771) 6.922 10.268 ( 5.294 1.494 6.170) 8.266 10.279 ( 2.074 2.433 1.746) 3.642 10.315 ( 1.415 0.882 0.763) 1.833 10.412 ( 1.873 0.326 0.405) 1.943 10.459 ( 1.940 -1.603 1.872) 3.137 10.503 ( 2.225 -0.045 0.629) 2.313 10.548 ( 3.293 -1.622 -1.320) 3.901 10.597 ( 4.273 -0.331 2.280) 4.855 10.641 ( 5.420 -2.636 -2.592) 6.560 10.823 ( 0.719 3.005 -1.185) 3.310 10.852 ( 1.547 0.717 1.716) 2.420 11.225 ( 4.349 4.672 -8.650) 10.750 11.324 ( 3.238 -3.838 -8.304) 9.705 11.511 ( 4.555 3.461 -8.212) 10.008 11.572 ( 4.540 -1.583 -8.724) 9.961 11.706 ( 1.536 1.803 -5.957) 6.410 11.779 ( 1.392 -4.597 -5.893) 7.603 11.883 ( 2.971 -2.134 -10.267) 10.899 11.947 ( 3.002 -5.904 -9.586) 11.651 12.082 ( 1.119 4.580 -8.089) 9.362 12.205 ( -0.654 -4.135 -8.866) 9.805 12.266 ( 2.228 3.076 -18.200) 18.592 12.341 ( 0.712 -2.957 -13.348) 13.690 12.541 ( -1.861 8.952 -6.541) 11.242 12.687 ( 1.040 -5.150 -6.157) 8.094 12.818 ( -0.570 2.988 1.027) 3.211 12.852 ( 2.615 -0.932 0.377) 2.801 12.906 ( 0.752 1.446 -0.833) 1.831 12.950 ( -0.985 -1.074 2.904) 3.249 13.117 ( 0.375 6.802 2.935) 7.418 13.258 ( -0.909 -4.052 0.459) 4.178 13.352 ( -2.638 1.729 1.709) 3.588 13.419 ( -1.098 -3.212 2.813) 4.408 13.540 ( 0.229 2.226 2.540) 3.385 13.601 ( -0.838 -3.031 0.520) 3.188 13.677 ( -0.523 4.342 3.504) 5.604 13.785 ( 0.890 -5.583 1.637) 5.886 14.065 ( -1.269 5.197 2.228) 5.795 14.103 ( 0.209 1.705 -1.836) 2.514 14.145 ( -0.906 -2.376 0.821) 2.672 14.169 ( -2.882 -3.783 -0.908) 4.842 14.398 ( 0.684 1.624 -2.149) 2.779 14.438 ( 0.468 -2.184 -1.907) 2.937 14.610 ( -1.359 2.510 -1.966) 3.466 14.677 ( -2.840 -2.798 1.057) 4.125 14.738 ( -1.587 4.767 2.974) 5.839 14.854 ( -1.939 -5.425 4.834) 7.520 15.047 ( -0.785 2.599 4.670) 5.401 15.130 ( -0.382 -4.277 4.842) 6.471 15.248 ( -0.818 2.722 4.519) 5.339 15.287 ( -2.633 -0.240 0.967) 2.815 15.316 ( -2.187 0.073 6.157) 6.535 15.382 ( -2.033 -3.292 6.438) 7.512 15.570 ( -2.775 1.984 2.475) 4.215 15.611 ( -1.253 -1.655 3.474) 4.047 15.927 ( 1.417 8.044 -0.473) 8.181 16.048 ( 3.914 -3.042 -3.923) 6.322 16.288 ( 8.652 6.159 -9.414) 14.192 16.441 ( 5.631 -7.220 -12.351) 15.374 ======================= Grid point 55 (36/50) ======================= q-point: (-0.14 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -8.562 -6.182 14.246) 17.734 0.814 ( -2.624 -13.461 -5.242) 14.682 1.040 ( -5.055 7.481 13.548) 16.281 1.277 ( -0.865 -11.545 7.015) 13.537 1.455 ( 4.223 0.655 -9.262) 10.201 1.507 ( 4.522 -2.227 -3.299) 6.024 1.637 ( 0.717 4.334 -6.955) 8.226 1.721 ( -0.296 -2.430 -6.187) 6.654 1.877 ( -0.358 5.526 -2.680) 6.152 1.934 ( 1.757 1.667 -6.663) 7.090 2.041 ( -1.230 7.106 -7.808) 10.629 2.172 ( 0.468 -2.675 -10.152) 10.509 2.202 ( -1.757 11.532 -1.365) 11.745 2.257 ( 0.021 4.032 -4.404) 5.971 2.348 ( 0.906 2.523 -3.604) 4.492 2.400 ( -0.857 5.347 -7.134) 8.956 2.474 ( -2.328 -3.355 -4.902) 6.380 2.525 ( 0.716 1.857 -5.118) 5.491 2.608 ( -1.131 1.930 -6.400) 6.780 2.669 ( 1.913 -1.425 -2.786) 3.668 2.731 ( -0.897 -3.603 -4.422) 5.774 2.784 ( -1.065 -4.321 -5.172) 6.823 2.881 ( 1.080 -0.314 -5.910) 6.016 2.933 ( -1.931 3.070 -0.849) 3.725 2.988 ( -3.388 -5.438 -0.841) 6.462 3.058 ( -1.898 -2.740 0.888) 3.449 3.085 ( -0.595 1.589 5.164) 5.436 3.119 ( -2.402 -0.432 1.749) 3.003 3.184 ( -0.901 -1.910 -0.162) 2.118 3.206 ( -4.892 -5.321 1.647) 7.413 3.280 ( -2.058 0.831 0.940) 2.410 3.327 ( -2.525 -1.724 2.657) 4.051 3.405 ( -2.400 1.475 -0.474) 2.857 3.439 ( -1.792 -0.233 -0.976) 2.054 3.514 ( -2.884 1.091 -3.195) 4.440 3.555 ( -4.914 -2.484 1.444) 5.692 3.602 ( -2.499 3.982 0.201) 4.705 3.659 ( -2.563 -1.409 -2.912) 4.127 3.718 ( -1.231 -1.710 -1.742) 2.734 3.769 ( 0.378 -4.906 -4.206) 6.473 3.835 ( -1.969 1.788 -5.421) 6.038 3.886 ( -2.140 -1.416 -4.211) 4.931 3.965 ( -2.039 5.800 -2.767) 6.742 4.042 ( -0.964 2.931 -4.785) 5.694 4.065 ( -1.554 1.425 -4.069) 4.582 4.105 ( -2.101 0.387 -0.552) 2.207 4.155 ( 0.620 -2.041 0.894) 2.312 4.201 ( 1.801 -1.878 -3.710) 4.531 4.227 ( 2.533 -0.070 -4.846) 5.469 4.282 ( 1.328 -2.342 0.024) 2.693 4.362 ( -0.081 0.327 -0.768) 0.839 4.435 ( 2.850 -3.823 -4.305) 6.424 4.521 ( 1.401 2.555 2.420) 3.787 4.553 ( 0.445 -1.093 0.465) 1.268 4.671 ( -0.332 3.672 1.519) 3.988 4.706 ( 1.283 1.032 4.718) 4.997 4.746 ( 3.181 -0.631 0.347) 3.261 4.830 ( 0.402 -3.692 2.721) 4.604 4.906 ( -2.687 2.266 -2.905) 4.560 4.931 ( -1.231 1.950 3.999) 4.616 5.036 ( -2.327 -1.063 2.471) 3.557 5.077 ( -1.477 -2.625 2.147) 3.699 5.178 ( -3.460 1.645 5.033) 6.325 5.216 ( 0.142 0.355 1.184) 1.244 5.300 ( -1.846 0.445 -0.764) 2.047 5.315 ( -1.234 -0.555 2.839) 3.146 5.426 ( -2.246 6.761 1.419) 7.264 5.450 ( 2.359 0.800 1.499) 2.907 5.485 ( 5.210 -1.721 -2.494) 6.028 5.557 ( 0.140 -1.609 0.910) 1.854 5.590 ( 2.194 1.608 0.224) 2.729 5.676 ( 0.839 -2.591 -1.348) 3.039 5.723 ( -0.615 -1.185 0.058) 1.336 5.761 ( -1.039 -1.220 3.866) 4.185 5.850 ( 0.249 1.055 5.177) 5.290 5.906 ( 1.721 -2.328 1.563) 3.290 5.959 ( 0.478 2.915 1.277) 3.218 5.990 ( 2.975 1.275 -1.557) 3.591 6.093 ( -0.342 0.225 1.747) 1.794 6.130 ( 1.024 -1.503 -2.077) 2.761 6.180 ( 1.508 2.077 1.380) 2.914 6.238 ( 3.053 -0.429 4.658) 5.586 6.273 ( 1.208 3.785 2.421) 4.653 6.332 ( -0.132 1.062 0.194) 1.088 6.376 ( -0.223 -0.652 0.337) 0.767 6.417 ( -0.259 -3.937 1.251) 4.139 6.448 ( -0.867 5.050 -2.880) 5.878 6.520 ( -1.595 0.895 -2.805) 3.349 6.546 ( 0.739 -1.125 0.072) 1.348 6.575 ( -2.227 -3.413 -0.665) 4.129 6.645 ( -1.544 0.829 0.476) 1.816 6.667 ( 0.991 -0.002 0.403) 1.070 6.738 ( 0.009 1.563 0.782) 1.748 6.760 ( 1.625 -1.579 -0.210) 2.276 6.819 ( -1.419 5.449 2.110) 6.013 6.870 ( -0.497 0.092 1.911) 1.977 6.892 ( -0.293 1.444 2.694) 3.071 6.913 ( -1.825 -1.139 2.615) 3.386 6.994 ( -1.341 0.817 2.212) 2.713 7.010 ( 0.026 -0.047 5.975) 5.976 7.052 ( -1.952 -3.138 4.942) 6.170 7.103 ( -1.823 -6.716 3.593) 7.832 7.129 ( -0.981 1.256 3.897) 4.210 7.158 ( -0.191 -1.442 2.027) 2.494 7.241 ( 1.363 3.100 0.872) 3.496 7.274 ( -0.461 2.993 0.879) 3.153 7.346 ( -0.686 0.339 0.139) 0.778 7.447 ( 0.172 -2.331 -2.690) 3.563 7.487 ( -4.030 -1.009 2.604) 4.903 7.507 ( -5.020 -1.629 4.651) 7.035 7.591 ( -1.355 -0.341 0.909) 1.667 7.624 ( -0.342 -2.725 -3.423) 4.389 7.727 ( -0.834 0.894 -1.403) 1.861 7.747 ( -1.498 -0.989 -0.871) 1.995 7.825 ( -0.723 3.216 0.576) 3.346 7.871 ( -1.669 -1.916 -3.217) 4.099 7.965 ( -3.052 0.715 -1.562) 3.502 7.999 ( 0.000 -1.002 1.984) 2.223 8.108 ( 0.785 0.979 -3.388) 3.613 8.146 ( -0.105 -1.913 -2.030) 2.791 8.206 ( 2.004 2.566 2.243) 3.954 8.230 ( -0.229 1.292 6.311) 6.446 8.315 ( 2.131 1.729 2.859) 3.963 8.358 ( 2.449 -0.881 1.175) 2.855 8.393 ( 1.852 2.029 1.287) 3.034 8.435 ( -0.249 0.087 -0.730) 0.776 8.502 ( 0.689 0.688 2.313) 2.510 8.513 ( 0.645 -2.428 3.185) 4.056 8.564 ( -0.856 -0.570 0.621) 1.202 8.637 ( -0.108 -2.363 2.899) 3.742 8.661 ( 0.487 -3.913 1.451) 4.202 8.686 ( 0.876 -2.092 1.156) 2.546 8.806 ( -2.049 2.637 3.584) 4.898 8.861 ( -2.757 -0.941 1.667) 3.356 8.928 ( -2.523 1.620 -1.693) 3.443 8.960 ( -3.777 -0.047 4.338) 5.752 8.988 ( 1.232 2.409 -0.335) 2.726 9.058 ( -0.173 -2.347 3.090) 3.884 9.130 ( 2.716 1.138 0.176) 2.950 9.152 ( -1.343 -0.494 -0.280) 1.458 9.239 ( -2.685 2.406 3.663) 5.140 9.253 ( -2.773 0.193 3.676) 4.609 9.319 ( -2.323 -1.417 1.289) 3.011 9.337 ( -2.559 -2.873 -2.421) 4.546 9.381 ( -0.842 1.060 2.128) 2.522 9.430 ( 1.485 -2.854 -0.256) 3.228 9.472 ( 1.423 0.979 0.816) 1.911 9.526 ( -1.251 -4.238 2.081) 4.884 9.662 ( -3.551 2.177 4.785) 6.344 9.700 ( -2.437 -1.533 4.009) 4.936 9.771 ( -1.534 3.965 7.125) 8.297 9.811 ( -0.779 0.024 4.190) 4.262 9.890 ( -0.240 1.123 3.220) 3.418 9.945 ( 0.123 -2.752 0.953) 2.915 10.016 ( 0.208 1.094 3.079) 3.274 10.047 ( 3.013 -1.267 2.507) 4.119 10.225 ( -1.162 4.980 4.411) 6.753 10.307 ( -0.055 0.537 -0.982) 1.120 10.366 ( 2.491 0.604 0.942) 2.730 10.404 ( -0.139 -4.241 2.403) 4.877 10.486 ( 6.173 3.298 -1.166) 7.096 10.511 ( 1.942 0.243 -0.967) 2.183 10.587 ( 2.825 0.599 0.547) 2.939 10.626 ( 5.366 -3.213 1.031) 6.339 10.765 ( 10.369 1.018 -1.905) 10.591 10.778 ( 8.621 -0.333 -0.897) 8.674 10.855 ( 4.367 2.166 0.132) 4.877 10.891 ( 2.376 -0.648 -1.293) 2.781 11.308 ( 9.037 6.802 -4.344) 12.116 11.379 ( 4.943 1.079 -4.541) 6.798 11.522 ( -2.700 -0.748 -4.785) 5.545 11.579 ( 1.427 -3.116 -6.811) 7.625 11.668 ( 0.689 1.816 -6.832) 7.103 11.736 ( -1.418 -4.966 -7.124) 8.799 11.907 ( 3.683 1.156 -10.117) 10.828 11.942 ( 2.751 -3.145 -9.057) 9.974 12.042 ( -2.564 -1.597 -8.697) 9.206 12.065 ( -4.441 -0.356 -8.584) 9.671 12.214 ( 1.367 -0.383 -15.622) 15.686 12.247 ( -2.532 -1.619 -13.567) 13.896 12.496 ( 1.241 10.320 -6.553) 12.287 12.650 ( -1.937 -4.525 -3.901) 6.281 12.794 ( -1.561 5.830 1.503) 6.219 12.894 ( -0.391 -2.583 0.264) 2.626 12.936 ( 1.360 1.737 1.805) 2.850 12.982 ( 2.975 -2.901 1.643) 4.469 13.159 ( 2.705 3.299 0.218) 4.272 13.243 ( -1.835 -3.634 2.515) 4.785 13.319 ( -0.515 3.169 0.258) 3.221 13.401 ( -1.684 -4.026 1.561) 4.635 13.546 ( -0.143 0.679 -0.303) 0.757 13.574 ( -1.544 -1.924 -1.030) 2.673 13.712 ( 1.397 5.409 3.396) 6.538 13.829 ( 1.058 -5.443 1.338) 5.704 14.036 ( -0.814 3.107 -3.460) 4.721 14.060 ( -1.614 1.681 -1.633) 2.846 14.153 ( 1.370 -0.894 3.296) 3.680 14.175 ( 1.040 -2.153 4.589) 5.175 14.398 ( 0.309 2.051 -2.321) 3.113 14.444 ( 1.218 -2.136 -1.621) 2.945 14.576 ( -0.472 1.462 -2.027) 2.543 14.636 ( -2.384 -3.746 2.827) 5.264 14.730 ( -1.109 4.379 4.130) 6.121 14.838 ( -1.855 -4.538 4.286) 6.512 15.054 ( -1.625 0.639 5.792) 6.049 15.137 ( -1.888 -5.825 6.761) 9.122 15.218 ( -3.219 3.131 2.561) 5.170 15.284 ( -0.631 -3.015 3.321) 4.530 15.328 ( 1.193 1.653 6.195) 6.522 15.378 ( -2.613 -2.657 7.654) 8.513 15.543 ( -1.241 3.534 3.668) 5.243 15.600 ( -1.746 -2.297 3.562) 4.584 15.929 ( -0.259 10.002 -1.573) 10.129 16.111 ( 4.111 -7.343 -5.523) 10.066 16.381 ( 6.633 5.644 -13.552) 16.109 16.470 ( 3.894 -2.843 -14.592) 15.368 ======================= Grid point 63 (37/50) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 0.376 0.000 -0.231) 0.442 0.992 ( 4.382 0.000 -13.762) 14.443 1.113 ( 8.189 0.000 -12.132) 14.637 1.390 ( 11.118 0.000 6.175) 12.718 1.427 ( -2.688 0.000 -4.022) 4.837 1.481 ( -1.337 0.000 9.794) 9.885 1.648 ( -0.057 0.000 -0.711) 0.713 1.726 ( -0.806 0.000 -2.395) 2.527 1.841 ( -1.167 0.000 -2.708) 2.949 1.880 ( -5.254 0.000 3.735) 6.446 1.910 ( 1.340 0.000 -4.966) 5.144 2.039 ( 6.049 0.000 -6.311) 8.742 2.090 ( -3.086 0.000 4.451) 5.416 2.126 ( -0.290 0.000 5.585) 5.593 2.236 ( 2.565 0.000 -3.552) 4.381 2.276 ( 1.887 0.000 -4.023) 4.444 2.364 ( -1.249 0.000 3.046) 3.293 2.489 ( 0.838 0.000 -2.135) 2.294 2.566 ( 1.977 0.000 -4.695) 5.094 2.598 ( 1.287 0.000 -2.091) 2.455 2.624 ( 2.778 0.000 0.544) 2.830 2.720 ( 2.436 0.000 -6.840) 7.261 2.802 ( 1.780 0.000 -5.782) 6.050 2.836 ( -1.151 0.000 -0.634) 1.314 2.922 ( -0.457 0.000 2.872) 2.908 3.000 ( -2.023 0.000 -3.506) 4.047 3.048 ( 0.203 0.000 0.319) 0.378 3.086 ( -2.750 0.000 3.941) 4.806 3.158 ( 2.090 0.000 -2.123) 2.979 3.178 ( -3.119 0.000 -3.935) 5.021 3.267 ( 0.305 0.000 5.485) 5.493 3.291 ( 0.646 0.000 0.005) 0.646 3.358 ( -2.953 0.000 2.184) 3.673 3.412 ( 1.132 0.000 0.697) 1.329 3.461 ( 1.383 0.000 -1.544) 2.073 3.538 ( -0.400 0.000 2.672) 2.702 3.571 ( -1.961 0.000 -7.230) 7.491 3.685 ( 3.155 0.000 0.274) 3.167 3.693 ( -2.247 0.000 1.845) 2.907 3.742 ( -2.373 0.000 0.615) 2.451 3.788 ( -0.808 0.000 -1.613) 1.804 3.859 ( -4.245 0.000 2.456) 4.905 3.894 ( 3.568 0.000 -2.529) 4.373 3.918 ( 0.562 0.000 2.099) 2.173 3.950 ( -1.164 0.000 0.920) 1.484 4.054 ( 1.509 0.000 -3.118) 3.464 4.090 ( 0.307 0.000 -6.030) 6.038 4.141 ( -0.100 0.000 -3.778) 3.779 4.200 ( 0.479 0.000 -3.641) 3.672 4.277 ( 2.467 0.000 -4.288) 4.947 4.352 ( -0.364 0.000 3.081) 3.102 4.431 ( -0.361 0.000 -4.630) 4.644 4.571 ( 0.820 0.000 2.814) 2.931 4.624 ( 0.801 0.000 -0.917) 1.217 4.666 ( 0.461 0.000 2.417) 2.461 4.717 ( 0.685 0.000 -0.116) 0.694 4.755 ( -1.558 0.000 -1.482) 2.150 4.880 ( -1.864 0.000 5.543) 5.848 4.906 ( -2.029 0.000 1.359) 2.442 4.965 ( 0.798 0.000 3.268) 3.364 5.018 ( 0.815 0.000 0.600) 1.012 5.069 ( -1.282 0.000 -3.526) 3.752 5.141 ( 0.049 0.000 -1.000) 1.001 5.160 ( -1.777 0.000 -2.319) 2.922 5.273 ( 0.477 0.000 4.524) 4.549 5.414 ( -3.666 0.000 5.917) 6.960 5.439 ( -1.694 0.000 3.828) 4.187 5.464 ( 0.088 0.000 -1.306) 1.309 5.534 ( 3.157 0.000 -2.303) 3.908 5.593 ( 0.326 0.000 -0.992) 1.044 5.616 ( 0.656 0.000 -1.771) 1.889 5.672 ( 2.562 0.000 2.462) 3.553 5.717 ( -3.671 0.000 -1.259) 3.881 5.767 ( -0.424 0.000 -1.674) 1.727 5.889 ( 0.847 0.000 0.337) 0.912 5.939 ( 0.866 0.000 0.578) 1.042 5.965 ( -1.116 0.000 1.375) 1.771 6.025 ( 1.815 0.000 -3.457) 3.904 6.113 ( -0.684 0.000 -1.332) 1.498 6.166 ( -1.063 0.000 2.924) 3.111 6.235 ( -0.317 0.000 2.718) 2.736 6.262 ( 0.993 0.000 1.798) 2.054 6.313 ( -1.367 0.000 1.072) 1.737 6.330 ( -1.139 0.000 4.147) 4.300 6.365 ( 1.066 0.000 -0.210) 1.086 6.412 ( -0.212 0.000 1.074) 1.095 6.443 ( -2.562 0.000 -1.191) 2.825 6.488 ( 1.780 0.000 -3.408) 3.844 6.573 ( -0.729 0.000 2.939) 3.028 6.628 ( -0.008 0.000 -2.408) 2.408 6.695 ( -3.317 0.000 11.121) 11.605 6.759 ( 2.856 0.000 3.250) 4.327 6.804 ( 0.013 0.000 0.669) 0.669 6.815 ( 2.954 0.000 0.368) 2.977 6.850 ( -0.024 0.000 -0.146) 0.148 6.889 ( 1.560 0.000 -2.447) 2.902 6.928 ( 3.939 0.000 -0.950) 4.052 6.953 ( -0.907 0.000 -0.674) 1.130 7.014 ( -0.154 0.000 0.523) 0.545 7.031 ( 2.335 0.000 1.518) 2.785 7.089 ( 0.555 0.000 -6.104) 6.129 7.117 ( 0.476 0.000 3.022) 3.059 7.183 ( 2.802 0.000 1.613) 3.233 7.235 ( 1.593 0.000 5.459) 5.687 7.248 ( -4.407 0.000 -2.035) 4.854 7.312 ( -0.312 0.000 1.480) 1.513 7.380 ( -2.638 0.000 -3.603) 4.466 7.459 ( -4.847 0.000 3.119) 5.763 7.479 ( 0.369 0.000 2.603) 2.629 7.593 ( 1.806 0.000 4.396) 4.752 7.645 ( -3.241 0.000 6.309) 7.093 7.675 ( 0.845 0.000 1.310) 1.559 7.699 ( -1.968 0.000 -1.597) 2.535 7.718 ( -0.125 0.000 -5.651) 5.652 7.761 ( 3.443 0.000 -0.345) 3.461 7.818 ( 2.082 0.000 0.017) 2.082 7.858 ( -0.350 0.000 -2.039) 2.069 8.006 ( -1.515 0.000 -2.690) 3.088 8.028 ( 0.363 0.000 -3.084) 3.105 8.135 ( -0.138 0.000 2.077) 2.082 8.244 ( -1.859 0.000 0.463) 1.915 8.279 ( 1.196 0.000 -2.754) 3.002 8.295 ( -0.793 0.000 2.950) 3.054 8.395 ( 2.587 0.000 1.431) 2.957 8.446 ( 2.889 0.000 -0.105) 2.891 8.521 ( -1.688 0.000 -1.093) 2.011 8.548 ( -3.083 0.000 2.344) 3.873 8.562 ( 1.289 0.000 1.361) 1.874 8.608 ( -2.407 0.000 1.924) 3.081 8.662 ( 1.377 0.000 -0.111) 1.381 8.694 ( -1.938 0.000 -0.473) 1.995 8.781 ( -1.593 0.000 0.642) 1.717 8.804 ( 0.156 0.000 0.753) 0.769 8.854 ( -1.914 0.000 1.428) 2.388 8.900 ( 0.345 0.000 1.604) 1.640 8.968 ( -0.334 0.000 -1.686) 1.719 9.028 ( 2.515 0.000 1.648) 3.007 9.052 ( -1.033 0.000 5.169) 5.271 9.103 ( -0.384 0.000 0.138) 0.408 9.131 ( -4.344 0.000 -1.705) 4.667 9.209 ( 2.847 0.000 -1.928) 3.438 9.238 ( 1.856 0.000 -7.416) 7.645 9.240 ( -1.915 0.000 1.147) 2.232 9.319 ( -0.347 0.000 -0.463) 0.579 9.449 ( 2.054 0.000 1.015) 2.291 9.494 ( -2.421 0.000 3.153) 3.975 9.561 ( 1.630 0.000 5.362) 5.604 9.644 ( -4.583 0.000 -2.653) 5.295 9.704 ( -2.743 0.000 5.950) 6.551 9.733 ( 0.042 0.000 7.001) 7.001 9.865 ( -0.566 0.000 2.468) 2.532 9.886 ( 0.466 0.000 5.849) 5.868 9.983 ( 0.703 0.000 -2.306) 2.410 9.995 ( 1.249 0.000 3.461) 3.679 10.042 ( 2.267 0.000 4.729) 5.244 10.172 ( 0.581 0.000 1.235) 1.365 10.195 ( 0.346 0.000 1.693) 1.728 10.239 ( 0.038 0.000 -3.025) 3.025 10.326 ( -6.745 0.000 -5.183) 8.506 10.358 ( -1.139 0.000 -0.874) 1.436 10.445 ( -0.507 0.000 0.377) 0.632 10.476 ( 1.462 0.000 -1.321) 1.971 10.547 ( -1.401 0.000 0.188) 1.413 10.629 ( -0.123 0.000 -2.608) 2.611 10.664 ( -2.630 0.000 -2.469) 3.607 10.758 ( 1.268 0.000 -7.111) 7.223 10.971 ( 2.740 0.000 0.301) 2.756 11.007 ( 2.592 0.000 0.134) 2.595 11.303 ( -1.859 0.000 -0.910) 2.070 11.312 ( 1.127 0.000 -0.800) 1.382 11.536 ( 2.322 0.000 -2.883) 3.702 11.558 ( -1.726 0.000 -3.509) 3.911 11.608 ( 0.771 0.000 -1.064) 1.315 11.638 ( 4.466 0.000 -1.713) 4.783 11.709 ( 1.897 0.000 -6.754) 7.016 11.834 ( -2.590 0.000 -0.216) 2.599 11.898 ( 2.378 0.000 -6.592) 7.007 11.920 ( 2.197 0.000 -4.579) 5.079 12.017 ( -1.657 0.000 0.139) 1.663 12.094 ( 3.287 0.000 -4.412) 5.502 12.302 ( 1.407 0.000 -3.151) 3.451 12.622 ( -0.655 0.000 0.311) 0.725 12.740 ( 0.592 0.000 -0.538) 0.800 12.851 ( -0.550 0.000 -0.614) 0.824 12.993 ( -2.045 0.000 3.521) 4.072 13.098 ( 3.402 0.000 -0.656) 3.465 13.134 ( -0.088 0.000 -1.226) 1.229 13.211 ( -0.568 0.000 -1.761) 1.850 13.307 ( -2.391 0.000 1.285) 2.714 13.447 ( -1.454 0.000 2.070) 2.530 13.521 ( -3.924 0.000 -1.143) 4.087 13.524 ( 5.257 0.000 -2.809) 5.961 13.738 ( -0.398 0.000 0.766) 0.863 13.845 ( -1.208 0.000 1.597) 2.002 14.005 ( 0.417 0.000 -0.893) 0.985 14.049 ( 2.175 0.000 0.651) 2.270 14.224 ( -0.071 0.000 0.058) 0.092 14.246 ( 0.689 0.000 0.164) 0.708 14.304 ( -1.288 0.000 -0.302) 1.323 14.402 ( 3.521 0.000 -4.339) 5.588 14.641 ( 0.387 0.000 1.716) 1.759 14.703 ( 0.366 0.000 1.016) 1.080 14.867 ( -0.054 0.000 1.244) 1.245 14.930 ( 1.674 0.000 3.323) 3.721 15.146 ( -1.945 0.000 2.780) 3.393 15.176 ( -2.728 0.000 5.581) 6.212 15.322 ( 0.209 0.000 2.038) 2.049 15.432 ( -6.056 0.000 2.211) 6.447 15.458 ( -0.966 0.000 6.446) 6.518 15.471 ( 2.710 0.000 -0.665) 2.790 15.583 ( 1.454 0.000 5.985) 6.159 15.680 ( 0.036 0.000 -0.294) 0.296 15.845 ( -1.113 0.000 6.551) 6.645 15.995 ( -2.959 0.000 -10.057) 10.483 16.076 ( 4.832 0.000 -10.332) 11.406 16.214 ( -0.009 0.000 -7.677) 7.677 ======================= Grid point 64 (38/50) ======================= q-point: ( 0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 13.558 0.000 -4.141) 14.176 1.072 ( 9.735 0.000 -12.294) 15.681 1.228 ( 11.451 0.000 -19.205) 22.360 1.335 ( -3.293 0.000 -6.717) 7.480 1.437 ( -2.688 0.000 2.613) 3.749 1.601 ( 2.511 0.000 -5.821) 6.339 1.635 ( 1.691 0.000 -1.378) 2.181 1.738 ( 1.154 0.000 6.217) 6.323 1.793 ( 0.506 0.000 0.982) 1.105 1.852 ( 1.435 0.000 -1.288) 1.928 1.954 ( 3.930 0.000 -0.948) 4.043 2.039 ( -0.494 0.000 -5.499) 5.521 2.072 ( -1.992 0.000 1.801) 2.686 2.182 ( 2.202 0.000 3.716) 4.320 2.254 ( 2.274 0.000 -5.654) 6.094 2.327 ( 2.135 0.000 -0.508) 2.195 2.345 ( 1.531 0.000 0.648) 1.663 2.514 ( 5.027 0.000 -9.476) 10.726 2.605 ( 2.761 0.000 -6.030) 6.632 2.643 ( 5.055 0.000 1.176) 5.190 2.684 ( 2.562 0.000 -3.164) 4.071 2.740 ( 3.292 0.000 -4.868) 5.877 2.790 ( 2.257 0.000 -2.603) 3.445 2.902 ( 3.647 0.000 0.433) 3.673 2.948 ( -1.107 0.000 0.387) 1.173 2.990 ( 3.949 0.000 -1.532) 4.236 3.016 ( -3.316 0.000 3.039) 4.497 3.089 ( 0.621 0.000 3.364) 3.421 3.130 ( 0.857 0.000 1.349) 1.598 3.203 ( 2.929 0.000 -0.365) 2.951 3.283 ( 0.155 0.000 1.886) 1.892 3.322 ( 0.218 0.000 1.998) 2.010 3.384 ( 4.217 0.000 2.207) 4.759 3.451 ( 2.033 0.000 1.780) 2.702 3.495 ( 2.007 0.000 -3.110) 3.701 3.561 ( 3.182 0.000 0.091) 3.183 3.578 ( 2.149 0.000 2.990) 3.682 3.650 ( -2.834 0.000 4.750) 5.531 3.692 ( -1.585 0.000 -4.040) 4.340 3.728 ( 0.236 0.000 3.716) 3.723 3.790 ( 1.132 0.000 -0.916) 1.456 3.823 ( -0.221 0.000 1.279) 1.298 3.919 ( -0.231 0.000 2.778) 2.788 3.945 ( 1.084 0.000 1.555) 1.895 3.964 ( 3.004 0.000 -1.761) 3.482 4.045 ( 0.035 0.000 -2.635) 2.635 4.100 ( 3.325 0.000 -4.666) 5.730 4.169 ( 3.840 0.000 -3.357) 5.101 4.184 ( 0.361 0.000 -4.285) 4.300 4.295 ( 1.623 0.000 -6.709) 6.902 4.382 ( 1.422 0.000 3.488) 3.767 4.421 ( 2.111 0.000 -2.077) 2.962 4.569 ( -1.391 0.000 -0.527) 1.487 4.664 ( 0.253 0.000 0.627) 0.676 4.671 ( 0.163 0.000 -0.620) 0.641 4.705 ( 1.189 0.000 -0.742) 1.402 4.757 ( 0.253 0.000 1.065) 1.095 4.863 ( -2.265 0.000 6.254) 6.652 4.890 ( -2.162 0.000 3.499) 4.112 4.953 ( -4.686 0.000 0.387) 4.702 5.013 ( 0.510 0.000 -3.144) 3.186 5.054 ( -0.363 0.000 3.892) 3.909 5.118 ( -0.833 0.000 -1.024) 1.320 5.163 ( 2.309 0.000 1.000) 2.516 5.297 ( -0.630 0.000 2.633) 2.708 5.387 ( -0.875 0.000 5.394) 5.464 5.437 ( -0.144 0.000 2.242) 2.247 5.459 ( 0.074 0.000 -0.253) 0.263 5.536 ( -4.057 0.000 -0.419) 4.079 5.588 ( 1.321 0.000 -0.509) 1.415 5.602 ( -0.100 0.000 -3.418) 3.419 5.640 ( -2.947 0.000 -0.878) 3.074 5.733 ( 1.588 0.000 4.925) 5.175 5.764 ( 1.159 0.000 -4.224) 4.380 5.888 ( -0.500 0.000 0.332) 0.600 5.938 ( -1.268 0.000 -1.999) 2.367 5.989 ( 1.713 0.000 3.066) 3.512 6.029 ( -1.275 0.000 -1.624) 2.065 6.102 ( 1.175 0.000 -0.569) 1.305 6.135 ( -3.277 0.000 2.385) 4.053 6.193 ( -2.593 0.000 -0.393) 2.623 6.246 ( -5.388 0.000 3.684) 6.526 6.278 ( -1.866 0.000 0.535) 1.941 6.295 ( -1.533 0.000 2.555) 2.979 6.336 ( -3.906 0.000 -0.256) 3.914 6.427 ( 1.007 0.000 -0.851) 1.318 6.473 ( 0.560 0.000 5.323) 5.353 6.539 ( 4.252 0.000 -2.187) 4.782 6.573 ( -1.661 0.000 0.046) 1.662 6.593 ( -1.235 0.000 -0.496) 1.331 6.664 ( -1.652 0.000 3.427) 3.805 6.731 ( -5.005 0.000 2.240) 5.483 6.807 ( -1.299 0.000 -1.930) 2.326 6.845 ( 0.273 0.000 -0.725) 0.775 6.855 ( 3.651 0.000 -4.970) 6.167 6.894 ( -2.033 0.000 -2.731) 3.405 6.950 ( 3.165 0.000 -2.003) 3.746 7.006 ( 5.635 0.000 -0.775) 5.688 7.025 ( 1.330 0.000 1.455) 1.971 7.062 ( -1.219 0.000 -2.932) 3.175 7.097 ( 2.833 0.000 -3.202) 4.275 7.161 ( -1.912 0.000 -4.535) 4.921 7.192 ( 3.803 0.000 1.859) 4.233 7.263 ( 0.062 0.000 0.902) 0.904 7.287 ( 3.626 0.000 6.028) 7.034 7.362 ( 4.355 0.000 -1.851) 4.732 7.376 ( -0.910 0.000 3.567) 3.681 7.431 ( 7.335 0.000 3.396) 8.083 7.467 ( -2.140 0.000 3.237) 3.880 7.536 ( -5.397 0.000 2.804) 6.082 7.656 ( 0.052 0.000 0.968) 0.969 7.683 ( -0.739 0.000 -1.654) 1.812 7.699 ( -1.683 0.000 1.447) 2.219 7.733 ( 2.515 0.000 -1.135) 2.759 7.828 ( 4.896 0.000 -2.211) 5.373 7.848 ( 0.875 0.000 -0.842) 1.215 7.880 ( 2.259 0.000 2.560) 3.414 7.989 ( 1.333 0.000 -3.628) 3.866 8.007 ( -2.739 0.000 -1.344) 3.051 8.153 ( -0.433 0.000 3.787) 3.812 8.219 ( -1.029 0.000 -0.452) 1.123 8.251 ( 0.610 0.000 -1.219) 1.363 8.327 ( -0.469 0.000 0.829) 0.952 8.359 ( -6.305 0.000 -1.947) 6.599 8.454 ( 0.445 0.000 3.227) 3.257 8.487 ( -0.332 0.000 -2.336) 2.359 8.537 ( -1.158 0.000 2.753) 2.987 8.576 ( -0.474 0.000 -0.368) 0.600 8.598 ( 0.625 0.000 3.817) 3.868 8.640 ( -1.569 0.000 -1.176) 1.961 8.702 ( 0.886 0.000 2.104) 2.283 8.729 ( -1.053 0.000 1.583) 1.901 8.776 ( -3.335 0.000 0.660) 3.399 8.821 ( 0.688 0.000 4.322) 4.376 8.894 ( -4.678 0.000 -0.028) 4.678 8.983 ( -6.031 0.000 2.253) 6.438 8.997 ( 2.981 0.000 0.930) 3.122 9.057 ( 0.193 0.000 -1.081) 1.099 9.086 ( -0.797 0.000 0.776) 1.112 9.117 ( 0.229 0.000 3.592) 3.599 9.225 ( -0.588 0.000 -3.308) 3.360 9.270 ( 2.545 0.000 -3.434) 4.274 9.283 ( 1.577 0.000 3.000) 3.389 9.337 ( 2.353 0.000 0.152) 2.358 9.450 ( 1.273 0.000 0.017) 1.274 9.512 ( 1.374 0.000 4.680) 4.877 9.553 ( -2.284 0.000 1.255) 2.606 9.619 ( 1.017 0.000 6.223) 6.306 9.727 ( -0.429 0.000 5.475) 5.492 9.754 ( -0.813 0.000 2.618) 2.742 9.876 ( 1.391 0.000 5.039) 5.227 9.909 ( -0.219 0.000 -1.457) 1.474 9.961 ( -2.538 0.000 0.785) 2.657 10.030 ( -2.133 0.000 1.230) 2.462 10.077 ( -1.848 0.000 -7.023) 7.263 10.120 ( -1.759 0.000 0.199) 1.770 10.134 ( -3.670 0.000 1.108) 3.833 10.216 ( -2.191 0.000 3.646) 4.253 10.275 ( 0.875 0.000 6.552) 6.610 10.367 ( 0.947 0.000 2.675) 2.838 10.392 ( -3.913 0.000 0.651) 3.967 10.483 ( -0.560 0.000 -1.856) 1.938 10.522 ( -4.884 0.000 -0.069) 4.884 10.571 ( 2.038 0.000 -1.568) 2.571 10.607 ( -2.892 0.000 3.980) 4.920 10.803 ( 4.320 0.000 -6.125) 7.495 10.908 ( -5.652 0.000 -2.509) 6.184 11.016 ( -0.424 0.000 -4.985) 5.003 11.300 ( -2.748 0.000 -1.050) 2.941 11.343 ( -10.893 0.000 -4.579) 11.816 11.413 ( 6.882 0.000 -2.012) 7.170 11.543 ( 1.699 0.000 -2.493) 3.016 11.559 ( -3.453 0.000 -0.675) 3.519 11.681 ( -1.269 0.000 -5.762) 5.900 11.742 ( 4.700 0.000 -6.260) 7.828 11.823 ( 1.690 0.000 -4.067) 4.405 11.872 ( -0.129 0.000 -1.463) 1.469 11.947 ( -5.125 0.000 -0.076) 5.125 12.095 ( 0.498 0.000 -5.074) 5.099 12.107 ( 12.597 0.000 -4.070) 13.238 12.272 ( -1.258 0.000 -4.865) 5.025 12.616 ( -0.309 0.000 0.975) 1.023 12.770 ( 1.846 0.000 -1.108) 2.153 12.869 ( 1.745 0.000 0.612) 1.849 12.952 ( -2.425 0.000 2.472) 3.463 13.115 ( -1.904 0.000 0.408) 1.947 13.152 ( 1.194 0.000 -4.048) 4.220 13.214 ( 1.033 0.000 -1.074) 1.490 13.247 ( -2.409 0.000 2.657) 3.587 13.451 ( 0.280 0.000 3.650) 3.660 13.491 ( 1.757 0.000 0.487) 1.824 13.613 ( 3.920 0.000 -1.708) 4.276 13.728 ( -0.642 0.000 1.280) 1.432 13.841 ( -0.468 0.000 2.697) 2.737 14.004 ( 0.355 0.000 -1.308) 1.356 14.069 ( 0.496 0.000 -2.320) 2.372 14.221 ( -0.115 0.000 0.252) 0.277 14.251 ( -0.125 0.000 -0.113) 0.168 14.311 ( 2.663 0.000 -3.518) 4.412 14.460 ( 3.748 0.000 -4.463) 5.828 14.611 ( -2.783 0.000 -0.556) 2.838 14.736 ( 2.213 0.000 -0.047) 2.213 14.894 ( 1.660 0.000 0.432) 1.715 14.915 ( -2.464 0.000 -0.235) 2.475 15.159 ( 0.812 0.000 4.767) 4.835 15.215 ( -1.106 0.000 9.985) 10.047 15.302 ( -3.632 0.000 -0.335) 3.648 15.335 ( -0.390 0.000 1.872) 1.912 15.439 ( -2.826 0.000 2.580) 3.827 15.494 ( -0.796 0.000 3.632) 3.719 15.642 ( -0.107 0.000 4.792) 4.794 15.712 ( 4.862 0.000 -3.357) 5.908 15.830 ( -4.299 0.000 6.834) 8.074 15.885 ( -4.044 0.000 -4.218) 5.843 16.069 ( 0.154 0.000 -9.356) 9.358 16.223 ( 3.822 0.000 -4.877) 6.196 ======================= Grid point 65 (39/50) ======================= q-point: ( 0.29 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 3.287 0.000 -14.823) 15.183 1.193 ( 1.733 0.000 -8.965) 9.131 1.264 ( 2.225 0.000 -12.829) 13.020 1.270 ( 8.638 0.000 -11.940) 14.737 1.491 ( 6.411 0.000 3.212) 7.171 1.611 ( 2.502 0.000 -3.377) 4.203 1.657 ( 3.480 0.000 -7.529) 8.294 1.729 ( -3.368 0.000 -0.361) 3.388 1.877 ( 3.496 0.000 -0.189) 3.501 1.907 ( 4.704 0.000 4.900) 6.792 2.019 ( 0.228 0.000 -1.122) 1.145 2.033 ( 2.636 0.000 -3.503) 4.385 2.046 ( 3.236 0.000 -1.151) 3.434 2.222 ( 1.944 0.000 -0.713) 2.070 2.279 ( 3.337 0.000 -2.218) 4.007 2.375 ( 3.469 0.000 -0.276) 3.479 2.436 ( 5.657 0.000 -1.110) 5.765 2.577 ( 6.276 0.000 -7.692) 9.927 2.579 ( -0.042 0.000 -8.648) 8.648 2.693 ( -0.435 0.000 0.589) 0.733 2.775 ( 3.849 0.000 -0.135) 3.851 2.780 ( 2.709 0.000 1.422) 3.059 2.865 ( -1.863 0.000 3.258) 3.753 2.897 ( 1.184 0.000 2.012) 2.335 2.973 ( 0.923 0.000 -3.182) 3.313 2.987 ( 6.615 0.000 -0.970) 6.686 3.033 ( 0.932 0.000 -0.271) 0.971 3.101 ( -1.109 0.000 -0.249) 1.137 3.172 ( -0.532 0.000 4.923) 4.952 3.243 ( -2.296 0.000 0.006) 2.296 3.310 ( 3.946 0.000 2.358) 4.597 3.389 ( 4.632 0.000 2.055) 5.068 3.454 ( 1.203 0.000 2.885) 3.125 3.496 ( 2.599 0.000 3.280) 4.185 3.531 ( 0.311 0.000 1.138) 1.179 3.589 ( -2.163 0.000 -7.256) 7.571 3.619 ( 3.744 0.000 2.532) 4.520 3.661 ( 2.122 0.000 3.774) 4.330 3.714 ( 6.854 0.000 -1.241) 6.966 3.765 ( 1.675 0.000 -0.142) 1.681 3.823 ( 1.514 0.000 2.157) 2.635 3.835 ( 1.487 0.000 1.662) 2.230 3.940 ( -0.117 0.000 4.125) 4.127 3.967 ( 0.404 0.000 6.859) 6.871 4.041 ( 1.655 0.000 -1.281) 2.093 4.049 ( 4.438 0.000 -1.944) 4.845 4.126 ( 0.464 0.000 -4.905) 4.927 4.191 ( 4.044 0.000 -4.617) 6.138 4.226 ( 2.593 0.000 -2.232) 3.421 4.281 ( 1.448 0.000 -5.523) 5.709 4.424 ( 0.729 0.000 0.014) 0.729 4.473 ( 1.793 0.000 -1.432) 2.295 4.518 ( -2.751 0.000 -0.194) 2.757 4.619 ( -2.131 0.000 -3.468) 4.070 4.652 ( -0.987 0.000 -4.275) 4.387 4.721 ( -2.424 0.000 3.003) 3.859 4.769 ( -0.987 0.000 1.189) 1.545 4.813 ( -2.246 0.000 -2.361) 3.259 4.850 ( -2.522 0.000 1.618) 2.996 4.923 ( 0.492 0.000 8.391) 8.406 5.010 ( -0.641 0.000 0.866) 1.077 5.061 ( -0.644 0.000 3.564) 3.622 5.126 ( 0.583 0.000 5.935) 5.963 5.218 ( 1.671 0.000 -0.679) 1.804 5.294 ( 0.339 0.000 1.613) 1.649 5.407 ( -1.470 0.000 1.151) 1.867 5.452 ( 2.123 0.000 -2.986) 3.664 5.458 ( 0.272 0.000 0.863) 0.905 5.491 ( -0.585 0.000 3.929) 3.973 5.529 ( -2.537 0.000 -2.752) 3.743 5.614 ( 0.655 0.000 1.583) 1.713 5.642 ( 1.737 0.000 -1.768) 2.478 5.747 ( -0.572 0.000 -1.878) 1.963 5.780 ( 0.474 0.000 0.321) 0.573 5.862 ( -0.815 0.000 -4.805) 4.874 5.916 ( -2.709 0.000 0.634) 2.782 5.953 ( -5.380 0.000 4.925) 7.294 5.974 ( -2.774 0.000 1.253) 3.043 6.114 ( -0.842 0.000 3.556) 3.655 6.126 ( 0.912 0.000 -1.440) 1.705 6.160 ( -0.115 0.000 -0.119) 0.165 6.190 ( -2.610 0.000 3.974) 4.754 6.224 ( -2.142 0.000 -2.559) 3.337 6.278 ( -1.555 0.000 3.774) 4.082 6.311 ( 1.466 0.000 1.400) 2.027 6.401 ( -2.004 0.000 -3.373) 3.924 6.457 ( -3.054 0.000 4.140) 5.144 6.501 ( -3.416 0.000 -1.592) 3.769 6.586 ( -0.436 0.000 1.937) 1.986 6.637 ( 3.862 0.000 0.248) 3.870 6.651 ( -1.284 0.000 0.935) 1.588 6.696 ( 0.585 0.000 -1.043) 1.196 6.764 ( -0.493 0.000 -5.383) 5.406 6.835 ( -0.923 0.000 -0.763) 1.197 6.866 ( -0.081 0.000 -0.215) 0.230 6.879 ( 0.091 0.000 -2.257) 2.259 6.982 ( -2.265 0.000 -6.101) 6.508 7.008 ( 3.147 0.000 -1.698) 3.576 7.061 ( 2.201 0.000 -0.054) 2.202 7.074 ( -2.532 0.000 0.058) 2.532 7.132 ( 4.149 0.000 -4.279) 5.960 7.143 ( 1.582 0.000 -2.666) 3.100 7.239 ( 2.069 0.000 4.051) 4.548 7.297 ( 0.797 0.000 -0.782) 1.117 7.355 ( 4.328 0.000 2.749) 5.127 7.394 ( -0.148 0.000 -0.580) 0.598 7.446 ( -4.931 0.000 3.458) 6.022 7.475 ( 1.190 0.000 3.218) 3.431 7.493 ( 3.447 0.000 -3.576) 4.967 7.540 ( 3.425 0.000 0.323) 3.440 7.630 ( -0.423 0.000 -0.836) 0.937 7.680 ( 1.158 0.000 4.815) 4.952 7.728 ( 2.113 0.000 2.137) 3.005 7.767 ( 0.773 0.000 -1.965) 2.112 7.839 ( -1.804 0.000 -3.650) 4.072 7.869 ( 0.659 0.000 -0.870) 1.091 7.907 ( 2.871 0.000 0.868) 2.999 7.965 ( -1.685 0.000 4.787) 5.075 7.992 ( -0.007 0.000 -3.174) 3.174 8.142 ( -0.819 0.000 0.087) 0.824 8.174 ( -3.619 0.000 2.949) 4.669 8.220 ( -2.534 0.000 -1.133) 2.775 8.308 ( 0.989 0.000 2.143) 2.360 8.326 ( -1.186 0.000 -0.336) 1.233 8.434 ( -1.418 0.000 -1.671) 2.191 8.492 ( 1.013 0.000 3.276) 3.428 8.524 ( -1.036 0.000 -0.277) 1.072 8.573 ( -3.509 0.000 -2.487) 4.301 8.617 ( 4.246 0.000 -1.077) 4.380 8.669 ( 4.619 0.000 0.957) 4.717 8.714 ( -1.519 0.000 3.845) 4.135 8.740 ( 1.533 0.000 -3.561) 3.877 8.789 ( -4.244 0.000 0.856) 4.329 8.800 ( 1.219 0.000 6.009) 6.131 8.868 ( 0.822 0.000 7.169) 7.216 8.931 ( -0.053 0.000 1.251) 1.252 8.981 ( -4.769 0.000 -0.059) 4.770 9.035 ( -0.964 0.000 1.030) 1.411 9.103 ( -2.655 0.000 1.628) 3.115 9.104 ( -0.674 0.000 1.907) 2.022 9.191 ( 1.330 0.000 2.368) 2.716 9.267 ( -0.842 0.000 -1.440) 1.668 9.328 ( 0.356 0.000 3.851) 3.868 9.377 ( 0.959 0.000 4.137) 4.247 9.469 ( -1.838 0.000 2.239) 2.897 9.560 ( 1.727 0.000 1.801) 2.495 9.600 ( 3.771 0.000 3.550) 5.179 9.656 ( 0.735 0.000 3.764) 3.835 9.707 ( -3.308 0.000 4.792) 5.823 9.761 ( 0.693 0.000 -1.964) 2.082 9.861 ( -5.125 0.000 3.396) 6.148 9.887 ( -3.504 0.000 -2.765) 4.463 9.904 ( -1.417 0.000 -0.459) 1.490 9.962 ( 2.234 0.000 0.014) 2.234 10.041 ( -2.874 0.000 5.166) 5.911 10.087 ( -0.235 0.000 -4.073) 4.080 10.146 ( 2.401 0.000 -1.722) 2.955 10.215 ( -0.957 0.000 5.041) 5.131 10.287 ( -4.724 0.000 5.416) 7.186 10.367 ( -0.394 0.000 -0.214) 0.449 10.387 ( 2.617 0.000 4.300) 5.034 10.429 ( -2.115 0.000 0.320) 2.139 10.484 ( -1.481 0.000 2.279) 2.718 10.555 ( -5.148 0.000 3.677) 6.327 10.656 ( 5.657 0.000 -1.079) 5.759 10.787 ( -5.586 0.000 -0.461) 5.605 10.831 ( 1.652 0.000 -7.289) 7.474 10.930 ( -6.094 0.000 -5.028) 7.901 11.159 ( 0.266 0.000 -11.553) 11.556 11.229 ( -5.373 0.000 0.233) 5.378 11.353 ( -7.479 0.000 -5.087) 9.045 11.536 ( -7.408 0.000 -4.071) 8.453 11.557 ( 2.567 0.000 -5.374) 5.956 11.612 ( 2.043 0.000 0.981) 2.266 11.801 ( 3.981 0.000 -6.517) 7.637 11.851 ( -0.957 0.000 -1.884) 2.113 11.877 ( 1.138 0.000 -3.585) 3.762 11.890 ( 3.304 0.000 -0.728) 3.383 12.103 ( 3.501 0.000 -3.329) 4.831 12.223 ( -0.989 0.000 -2.072) 2.296 12.276 ( 6.409 0.000 -3.923) 7.514 12.640 ( 2.369 0.000 0.975) 2.561 12.764 ( -1.160 0.000 -2.253) 2.534 12.894 ( -0.032 0.000 1.112) 1.112 12.947 ( 0.211 0.000 2.241) 2.250 13.044 ( -4.896 0.000 1.415) 5.096 13.121 ( 0.265 0.000 -5.479) 5.485 13.195 ( -0.787 0.000 -4.260) 4.332 13.302 ( 3.110 0.000 3.744) 4.867 13.502 ( 2.520 0.000 2.914) 3.853 13.536 ( 0.482 0.000 3.392) 3.426 13.661 ( 2.173 0.000 2.237) 3.119 13.734 ( 0.600 0.000 0.156) 0.620 13.853 ( -0.026 0.000 2.827) 2.827 14.007 ( 0.647 0.000 -2.408) 2.493 14.064 ( 0.351 0.000 -1.575) 1.614 14.222 ( 0.134 0.000 -0.343) 0.369 14.252 ( 0.815 0.000 -1.599) 1.795 14.338 ( 1.944 0.000 -4.673) 5.061 14.464 ( -1.517 0.000 -2.374) 2.817 14.578 ( 0.931 0.000 -2.557) 2.721 14.757 ( -0.200 0.000 -1.324) 1.339 14.869 ( -0.986 0.000 -0.317) 1.036 14.941 ( 2.162 0.000 0.740) 2.286 15.114 ( -7.618 0.000 7.145) 10.445 15.240 ( 3.663 0.000 1.976) 4.162 15.265 ( -3.364 0.000 0.389) 3.386 15.379 ( 0.428 0.000 4.185) 4.207 15.411 ( 0.534 0.000 0.306) 0.616 15.499 ( 0.180 0.000 2.036) 2.044 15.662 ( 0.918 0.000 2.206) 2.389 15.740 ( -4.149 0.000 1.748) 4.502 15.795 ( -2.731 0.000 2.356) 3.606 15.817 ( 1.852 0.000 -1.581) 2.435 16.026 ( -0.814 0.000 -3.154) 3.257 16.272 ( 3.398 0.000 -4.815) 5.893 ======================= Grid point 66 (40/50) ======================= q-point: ( 0.43 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( -5.728 0.000 -11.207) 12.586 1.100 ( -3.894 0.000 -7.307) 8.279 1.281 ( 6.353 0.000 -10.261) 12.068 1.434 ( 7.307 0.000 -9.800) 12.225 1.513 ( -8.431 0.000 -5.528) 10.082 1.596 ( 1.191 0.000 4.786) 4.932 1.684 ( 4.418 0.000 -2.078) 4.882 1.758 ( 4.498 0.000 -5.500) 7.105 1.908 ( 1.214 0.000 -4.238) 4.408 1.970 ( -3.122 0.000 6.743) 7.431 2.042 ( 4.500 0.000 -4.769) 6.557 2.071 ( 2.661 0.000 -1.988) 3.321 2.150 ( 4.420 0.000 -3.519) 5.650 2.288 ( 4.989 0.000 2.721) 5.683 2.340 ( 3.114 0.000 1.700) 3.547 2.413 ( 0.026 0.000 -1.576) 1.576 2.481 ( -1.980 0.000 -2.509) 3.197 2.560 ( 2.315 0.000 -6.694) 7.083 2.631 ( 2.296 0.000 -7.582) 7.922 2.684 ( -1.427 0.000 3.833) 4.090 2.759 ( -2.139 0.000 5.452) 5.857 2.812 ( 1.830 0.000 -1.539) 2.391 2.895 ( 1.394 0.000 3.258) 3.544 2.955 ( -1.615 0.000 2.944) 3.357 2.985 ( 2.118 0.000 -1.458) 2.572 2.999 ( 0.904 0.000 -2.900) 3.038 3.059 ( 3.104 0.000 -0.659) 3.174 3.168 ( 4.916 0.000 1.632) 5.180 3.208 ( 1.588 0.000 1.890) 2.469 3.233 ( 1.837 0.000 -1.270) 2.233 3.344 ( -0.321 0.000 -0.287) 0.431 3.393 ( -6.752 0.000 -0.009) 6.752 3.448 ( -1.080 0.000 6.972) 7.055 3.494 ( 2.014 0.000 -9.161) 9.379 3.539 ( 0.779 0.000 -1.521) 1.709 3.655 ( 3.657 0.000 1.638) 4.007 3.678 ( 3.431 0.000 -0.747) 3.512 3.714 ( 1.161 0.000 5.559) 5.679 3.795 ( 2.580 0.000 -2.464) 3.568 3.801 ( -1.667 0.000 -3.424) 3.808 3.839 ( 3.949 0.000 2.202) 4.522 3.924 ( 3.280 0.000 1.414) 3.572 3.958 ( -0.451 0.000 3.478) 3.507 4.035 ( -1.604 0.000 6.611) 6.803 4.045 ( 1.884 0.000 7.502) 7.735 4.072 ( -0.847 0.000 -6.589) 6.644 4.129 ( 2.785 0.000 -1.007) 2.961 4.226 ( -0.900 0.000 -1.516) 1.763 4.267 ( 2.710 0.000 -0.018) 2.710 4.321 ( 1.006 0.000 -3.990) 4.115 4.337 ( -0.587 0.000 -3.157) 3.211 4.464 ( -0.189 0.000 -7.024) 7.026 4.515 ( -0.415 0.000 1.203) 1.273 4.567 ( -2.611 0.000 -2.948) 3.938 4.604 ( -1.731 0.000 -1.746) 2.459 4.670 ( -0.664 0.000 -2.245) 2.341 4.744 ( -0.914 0.000 -5.251) 5.330 4.778 ( -0.305 0.000 5.133) 5.142 4.871 ( 2.507 0.000 -0.945) 2.679 4.949 ( -1.157 0.000 2.255) 2.534 5.027 ( -0.252 0.000 9.501) 9.504 5.087 ( 1.758 0.000 1.907) 2.594 5.182 ( 0.798 0.000 9.206) 9.241 5.217 ( -0.666 0.000 1.253) 1.419 5.294 ( -0.815 0.000 -2.327) 2.466 5.382 ( -2.124 0.000 1.611) 2.666 5.449 ( -1.915 0.000 -1.496) 2.430 5.459 ( 2.106 0.000 -1.425) 2.543 5.493 ( 0.848 0.000 -0.525) 0.997 5.553 ( 0.367 0.000 3.889) 3.906 5.625 ( -0.847 0.000 -4.077) 4.164 5.669 ( 3.325 0.000 -4.366) 5.488 5.700 ( -2.573 0.000 3.994) 4.751 5.763 ( -0.911 0.000 -0.661) 1.125 5.831 ( 0.540 0.000 -5.039) 5.068 5.847 ( -3.292 0.000 -2.238) 3.981 5.924 ( -0.912 0.000 6.731) 6.793 5.960 ( -1.100 0.000 4.733) 4.859 6.100 ( -1.160 0.000 1.176) 1.652 6.124 ( 0.293 0.000 -2.996) 3.010 6.153 ( -2.325 0.000 -0.938) 2.507 6.175 ( -1.250 0.000 5.180) 5.328 6.226 ( 2.447 0.000 3.088) 3.940 6.291 ( 1.858 0.000 -0.249) 1.874 6.363 ( 0.040 0.000 -2.447) 2.447 6.381 ( 4.486 0.000 3.975) 5.993 6.418 ( -0.675 0.000 -1.381) 1.537 6.456 ( -2.576 0.000 3.266) 4.160 6.592 ( -0.836 0.000 3.319) 3.422 6.611 ( -1.178 0.000 -3.811) 3.989 6.641 ( -3.306 0.000 -3.900) 5.112 6.711 ( 0.303 0.000 -2.668) 2.685 6.754 ( 1.932 0.000 0.192) 1.942 6.802 ( -2.077 0.000 -0.405) 2.117 6.847 ( 0.054 0.000 -1.389) 1.390 6.861 ( -2.780 0.000 1.286) 3.063 6.930 ( -0.460 0.000 -4.040) 4.066 6.959 ( -3.199 0.000 -3.798) 4.965 7.078 ( -2.575 0.000 0.950) 2.745 7.112 ( 2.875 0.000 -2.028) 3.518 7.119 ( 1.516 0.000 1.192) 1.929 7.181 ( 0.990 0.000 -1.951) 2.187 7.284 ( -0.999 0.000 4.504) 4.614 7.324 ( 2.536 0.000 0.148) 2.540 7.368 ( -2.092 0.000 2.742) 3.449 7.393 ( -0.046 0.000 -1.421) 1.422 7.425 ( -1.887 0.000 -2.372) 3.031 7.491 ( 2.524 0.000 3.335) 4.182 7.502 ( 0.447 0.000 -6.197) 6.213 7.586 ( 0.977 0.000 4.309) 4.418 7.636 ( 1.765 0.000 -0.256) 1.783 7.717 ( -0.367 0.000 0.888) 0.960 7.734 ( -1.224 0.000 -3.195) 3.421 7.782 ( 0.750 0.000 3.371) 3.453 7.805 ( -1.080 0.000 -2.543) 2.763 7.897 ( 1.973 0.000 -0.453) 2.024 7.953 ( -0.053 0.000 -0.705) 0.707 7.964 ( -0.424 0.000 1.413) 1.475 7.998 ( 3.051 0.000 3.438) 4.596 8.137 ( -0.208 0.000 0.753) 0.781 8.151 ( -0.772 0.000 4.394) 4.461 8.208 ( 1.354 0.000 -0.444) 1.425 8.302 ( 1.417 0.000 1.495) 2.060 8.348 ( 0.305 0.000 -0.414) 0.515 8.420 ( -0.508 0.000 0.373) 0.630 8.460 ( -4.415 0.000 -3.030) 5.355 8.521 ( 0.102 0.000 -0.752) 0.759 8.541 ( 1.469 0.000 3.473) 3.771 8.601 ( -3.770 0.000 -1.079) 3.921 8.695 ( -1.061 0.000 0.785) 1.320 8.738 ( -2.163 0.000 3.447) 4.070 8.766 ( -0.713 0.000 -2.232) 2.343 8.768 ( 3.009 0.000 -2.595) 3.973 8.801 ( -0.300 0.000 2.049) 2.070 8.878 ( -0.035 0.000 -0.150) 0.154 8.954 ( 0.192 0.000 0.040) 0.196 8.986 ( 4.027 0.000 9.695) 10.498 9.038 ( -1.863 0.000 -1.295) 2.269 9.047 ( -0.090 0.000 -0.163) 0.187 9.130 ( 1.651 0.000 4.749) 5.028 9.207 ( -0.733 0.000 -0.543) 0.912 9.289 ( 0.554 0.000 1.777) 1.861 9.352 ( 1.893 0.000 6.521) 6.790 9.403 ( -0.415 0.000 4.384) 4.403 9.440 ( -0.635 0.000 2.484) 2.564 9.567 ( -3.696 0.000 0.372) 3.715 9.632 ( 0.371 0.000 4.100) 4.116 9.697 ( -2.375 0.000 2.110) 3.177 9.709 ( 0.970 0.000 0.630) 1.156 9.734 ( 1.846 0.000 -1.442) 2.342 9.818 ( -1.414 0.000 4.471) 4.689 9.873 ( -1.808 0.000 0.471) 1.869 9.886 ( 1.469 0.000 5.461) 5.655 9.979 ( -0.770 0.000 1.858) 2.012 10.038 ( -0.877 0.000 -0.758) 1.159 10.073 ( 2.357 0.000 1.477) 2.782 10.186 ( 2.446 0.000 -5.782) 6.278 10.213 ( -2.927 0.000 3.439) 4.516 10.232 ( -1.888 0.000 3.808) 4.250 10.340 ( -2.949 0.000 -0.999) 3.113 10.372 ( -4.540 0.000 0.311) 4.551 10.432 ( -2.171 0.000 1.867) 2.863 10.473 ( -0.255 0.000 1.788) 1.806 10.489 ( 0.955 0.000 1.270) 1.590 10.684 ( -4.316 0.000 1.225) 4.486 10.754 ( 1.151 0.000 1.884) 2.208 10.776 ( -0.077 0.000 -4.338) 4.338 10.857 ( -0.635 0.000 -2.057) 2.153 11.063 ( -4.936 0.000 -3.213) 5.889 11.218 ( -0.460 0.000 -7.513) 7.527 11.253 ( 5.710 0.000 -6.824) 8.898 11.373 ( -5.511 0.000 -4.531) 7.134 11.580 ( 1.106 0.000 -1.910) 2.207 11.640 ( 2.714 0.000 -2.496) 3.687 11.792 ( -0.867 0.000 -3.197) 3.312 11.809 ( -1.143 0.000 -10.528) 10.590 11.910 ( 3.343 0.000 -2.742) 4.323 11.941 ( 3.815 0.000 -6.392) 7.443 12.197 ( 2.958 0.000 0.134) 2.961 12.221 ( 4.383 0.000 0.267) 4.391 12.334 ( 1.102 0.000 -0.868) 1.403 12.666 ( -0.148 0.000 -4.710) 4.712 12.753 ( 1.372 0.000 0.010) 1.372 12.888 ( -0.639 0.000 2.772) 2.845 12.957 ( -0.569 0.000 0.976) 1.130 12.995 ( -1.214 0.000 1.401) 1.854 13.091 ( -1.359 0.000 -5.648) 5.809 13.150 ( -0.713 0.000 -2.523) 2.622 13.375 ( 2.960 0.000 1.609) 3.369 13.532 ( -1.629 0.000 2.497) 2.982 13.548 ( 0.443 0.000 2.699) 2.735 13.726 ( 1.356 0.000 5.108) 5.285 13.751 ( 0.881 0.000 2.156) 2.329 13.854 ( -0.943 0.000 0.912) 1.312 13.992 ( -0.291 0.000 -3.444) 3.457 14.073 ( 0.767 0.000 0.315) 0.829 14.215 ( -0.796 0.000 -0.693) 1.055 14.266 ( 1.290 0.000 -1.620) 2.071 14.328 ( -0.482 0.000 -4.489) 4.515 14.427 ( -0.480 0.000 -1.596) 1.666 14.596 ( 1.285 0.000 -1.204) 1.761 14.726 ( -1.823 0.000 -0.920) 2.042 14.865 ( -0.193 0.000 0.848) 0.870 14.980 ( 1.294 0.000 1.397) 1.905 15.033 ( -3.344 0.000 3.495) 4.838 15.188 ( -3.795 0.000 0.435) 3.819 15.310 ( 1.605 0.000 1.916) 2.499 15.403 ( 0.733 0.000 3.381) 3.459 15.420 ( -0.685 0.000 1.543) 1.688 15.514 ( 0.231 0.000 0.154) 0.278 15.668 ( -3.278 0.000 1.758) 3.720 15.704 ( 2.272 0.000 0.122) 2.276 15.728 ( -3.252 0.000 1.603) 3.626 15.874 ( 2.659 0.000 -1.461) 3.034 16.019 ( 1.051 0.000 0.092) 1.055 16.298 ( 2.243 0.000 -5.686) 6.113 ======================= Grid point 67 (41/50) ======================= q-point: (-0.43 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 0.827 0.000 -1.449) 1.669 1.012 ( -2.832 0.000 -0.171) 2.837 1.271 ( -9.044 0.000 -6.970) 11.418 1.342 ( -0.412 0.000 -3.888) 3.909 1.490 ( 1.855 0.000 -2.575) 3.174 1.600 ( -2.583 0.000 2.900) 3.883 1.740 ( 2.131 0.000 -1.677) 2.711 1.775 ( 0.585 0.000 -9.277) 9.295 1.882 ( -0.602 0.000 -3.193) 3.249 1.981 ( -0.232 0.000 2.762) 2.772 2.033 ( -4.868 0.000 2.164) 5.328 2.072 ( -0.608 0.000 -1.804) 1.904 2.144 ( -1.857 0.000 -4.294) 4.678 2.319 ( -2.825 0.000 3.149) 4.231 2.363 ( -4.061 0.000 -2.454) 4.745 2.368 ( -3.996 0.000 -1.039) 4.129 2.450 ( 3.364 0.000 -2.533) 4.211 2.531 ( -2.905 0.000 -2.470) 3.813 2.584 ( -3.401 0.000 -3.590) 4.945 2.704 ( 0.561 0.000 2.560) 2.621 2.768 ( 2.006 0.000 1.921) 2.777 2.834 ( 1.432 0.000 -3.182) 3.489 2.949 ( -1.306 0.000 1.022) 1.658 2.956 ( 3.739 0.000 -0.274) 3.749 2.990 ( 1.628 0.000 -0.687) 1.766 3.064 ( 1.197 0.000 1.747) 2.118 3.114 ( 4.104 0.000 -8.737) 9.653 3.157 ( -2.004 0.000 -4.462) 4.891 3.178 ( -5.887 0.000 0.498) 5.908 3.240 ( -0.952 0.000 4.324) 4.428 3.355 ( 0.627 0.000 -0.374) 0.730 3.372 ( 3.812 0.000 -0.766) 3.888 3.441 ( 1.526 0.000 -1.847) 2.396 3.531 ( 0.686 0.000 -0.408) 0.798 3.546 ( 1.139 0.000 -4.007) 4.166 3.641 ( -4.234 0.000 2.081) 4.718 3.659 ( -1.726 0.000 4.027) 4.381 3.758 ( -0.703 0.000 -2.087) 2.202 3.777 ( -1.822 0.000 -0.211) 1.834 3.830 ( 1.090 0.000 -0.260) 1.121 3.865 ( -2.126 0.000 -1.015) 2.356 3.917 ( -4.677 0.000 0.337) 4.689 3.945 ( 1.409 0.000 -0.147) 1.417 4.022 ( 0.183 0.000 0.518) 0.549 4.073 ( -1.085 0.000 0.039) 1.085 4.094 ( 1.449 0.000 2.665) 3.034 4.141 ( -1.075 0.000 1.924) 2.204 4.217 ( -1.155 0.000 -1.855) 2.185 4.247 ( -0.335 0.000 -3.333) 3.350 4.313 ( 3.082 0.000 -0.112) 3.084 4.384 ( -3.757 0.000 -3.987) 5.478 4.418 ( 3.387 0.000 -4.252) 5.436 4.489 ( 0.219 0.000 1.895) 1.908 4.540 ( -1.279 0.000 1.614) 2.059 4.575 ( -0.030 0.000 -0.482) 0.483 4.682 ( 0.990 0.000 -0.771) 1.255 4.714 ( 1.447 0.000 -5.064) 5.267 4.801 ( -1.065 0.000 4.390) 4.518 4.929 ( 5.400 0.000 -6.056) 8.114 4.956 ( 1.360 0.000 0.559) 1.470 5.035 ( -2.726 0.000 4.671) 5.408 5.127 ( 1.456 0.000 -0.202) 1.470 5.227 ( 1.498 0.000 2.063) 2.549 5.252 ( 0.933 0.000 7.311) 7.370 5.274 ( -0.753 0.000 1.826) 1.975 5.357 ( -0.956 0.000 3.236) 3.374 5.404 ( -2.280 0.000 -1.620) 2.797 5.448 ( -3.195 0.000 -1.178) 3.405 5.512 ( 0.697 0.000 3.093) 3.170 5.538 ( -1.133 0.000 -3.362) 3.547 5.586 ( 0.296 0.000 0.840) 0.891 5.693 ( -0.140 0.000 1.955) 1.960 5.703 ( -4.293 0.000 -2.805) 5.128 5.759 ( 1.119 0.000 0.224) 1.141 5.783 ( 3.668 0.000 -0.336) 3.683 5.849 ( 1.477 0.000 -3.919) 4.188 5.952 ( 0.589 0.000 5.184) 5.218 5.998 ( 1.627 0.000 5.186) 5.435 6.085 ( -0.816 0.000 -0.516) 0.965 6.088 ( -0.458 0.000 -4.739) 4.761 6.156 ( 1.878 0.000 -3.497) 3.969 6.171 ( -0.414 0.000 8.097) 8.107 6.279 ( -1.924 0.000 0.738) 2.060 6.301 ( 0.853 0.000 -0.667) 1.083 6.367 ( 1.362 0.000 -3.870) 4.103 6.407 ( 1.554 0.000 0.141) 1.561 6.444 ( -2.010 0.000 5.570) 5.922 6.488 ( -3.960 0.000 -3.214) 5.100 6.539 ( 5.476 0.000 4.109) 6.846 6.586 ( 2.394 0.000 -2.702) 3.610 6.637 ( 1.983 0.000 -1.730) 2.632 6.681 ( -2.321 0.000 0.405) 2.356 6.753 ( -2.404 0.000 1.639) 2.910 6.774 ( -0.584 0.000 2.116) 2.195 6.829 ( -1.536 0.000 2.825) 3.216 6.878 ( 1.812 0.000 -3.105) 3.595 6.887 ( -1.616 0.000 -2.128) 2.672 6.942 ( 3.061 0.000 -2.836) 4.173 7.037 ( -1.164 0.000 4.146) 4.306 7.103 ( -2.514 0.000 -0.111) 2.516 7.144 ( -0.532 0.000 0.166) 0.558 7.192 ( 0.606 0.000 -0.632) 0.876 7.262 ( -3.640 0.000 1.872) 4.093 7.308 ( -4.839 0.000 5.722) 7.493 7.332 ( -6.577 0.000 5.024) 8.276 7.371 ( -0.294 0.000 0.299) 0.419 7.378 ( 1.042 0.000 -1.541) 1.861 7.522 ( 4.417 0.000 -5.903) 7.372 7.560 ( 2.412 0.000 -0.214) 2.421 7.615 ( -3.815 0.000 0.646) 3.869 7.641 ( 1.696 0.000 4.036) 4.378 7.663 ( -3.736 0.000 -1.329) 3.965 7.743 ( 2.581 0.000 -2.291) 3.451 7.793 ( 1.854 0.000 -2.015) 2.738 7.796 ( -0.515 0.000 1.082) 1.198 7.905 ( -1.958 0.000 2.161) 2.916 7.933 ( -3.246 0.000 3.269) 4.607 7.973 ( 2.988 0.000 -5.851) 6.570 8.060 ( 1.521 0.000 1.537) 2.163 8.139 ( -0.277 0.000 0.112) 0.299 8.173 ( -0.001 0.000 3.377) 3.377 8.217 ( 0.287 0.000 -2.041) 2.062 8.317 ( -0.854 0.000 -1.412) 1.650 8.356 ( -0.128 0.000 -0.231) 0.264 8.388 ( -2.039 0.000 2.280) 3.058 8.412 ( 0.531 0.000 1.589) 1.675 8.533 ( 0.815 0.000 -2.097) 2.249 8.555 ( -2.048 0.000 4.565) 5.003 8.576 ( 1.304 0.000 1.451) 1.951 8.665 ( -1.251 0.000 1.193) 1.728 8.689 ( -2.987 0.000 2.650) 3.993 8.754 ( -1.351 0.000 0.053) 1.352 8.813 ( 3.805 0.000 -1.101) 3.961 8.831 ( 5.130 0.000 -1.330) 5.300 8.902 ( -1.524 0.000 -1.183) 1.929 8.957 ( -2.129 0.000 0.743) 2.255 8.969 ( 2.384 0.000 1.674) 2.913 9.079 ( 2.219 0.000 -1.617) 2.746 9.109 ( 2.309 0.000 0.669) 2.404 9.166 ( 1.342 0.000 -0.295) 1.374 9.191 ( -1.336 0.000 -0.322) 1.374 9.301 ( 2.388 0.000 0.779) 2.512 9.400 ( -0.033 0.000 2.869) 2.869 9.439 ( -2.521 0.000 1.950) 3.187 9.450 ( -4.483 0.000 -1.363) 4.686 9.495 ( 3.668 0.000 5.905) 6.951 9.624 ( -3.693 0.000 3.749) 5.263 9.685 ( -0.099 0.000 1.977) 1.980 9.716 ( 1.376 0.000 -1.148) 1.792 9.761 ( 0.687 0.000 0.263) 0.735 9.820 ( -1.444 0.000 3.720) 3.991 9.852 ( -0.373 0.000 2.644) 2.670 9.919 ( -2.985 0.000 4.758) 5.616 9.974 ( -3.043 0.000 -2.837) 4.160 10.048 ( 4.530 0.000 8.220) 9.386 10.106 ( -3.482 0.000 -3.386) 4.857 10.131 ( -3.873 0.000 -3.078) 4.948 10.204 ( 4.533 0.000 4.776) 6.584 10.228 ( 0.707 0.000 1.945) 2.069 10.310 ( -0.115 0.000 3.528) 3.530 10.357 ( 3.439 0.000 -1.485) 3.746 10.438 ( 1.121 0.000 0.652) 1.296 10.471 ( 0.613 0.000 1.193) 1.341 10.499 ( -0.594 0.000 0.271) 0.653 10.656 ( -1.635 0.000 6.793) 6.986 10.709 ( -2.687 0.000 2.266) 3.515 10.791 ( 0.454 0.000 -3.264) 3.295 10.883 ( 2.286 0.000 0.565) 2.355 10.996 ( 0.071 0.000 -1.996) 1.997 11.214 ( 3.635 0.000 -6.741) 7.659 11.283 ( 0.916 0.000 -6.904) 6.964 11.370 ( 6.940 0.000 -4.177) 8.100 11.595 ( 1.083 0.000 -0.246) 1.110 11.681 ( 0.969 0.000 -11.008) 11.050 11.725 ( 3.582 0.000 -3.286) 4.861 11.819 ( 2.782 0.000 -4.498) 5.289 11.924 ( 0.784 0.000 -4.741) 4.805 11.976 ( 3.620 0.000 -10.128) 10.755 12.203 ( -0.135 0.000 -0.327) 0.354 12.272 ( -3.367 0.000 -4.769) 5.837 12.364 ( 3.462 0.000 -2.570) 4.312 12.627 ( -0.185 0.000 -2.337) 2.344 12.766 ( -0.425 0.000 -0.953) 1.044 12.900 ( -0.277 0.000 3.636) 3.647 12.932 ( -1.570 0.000 -0.502) 1.648 12.991 ( -1.040 0.000 2.538) 2.743 13.059 ( 1.320 0.000 0.163) 1.330 13.150 ( 1.689 0.000 -3.719) 4.084 13.407 ( -0.287 0.000 -1.635) 1.660 13.531 ( -0.407 0.000 3.649) 3.672 13.553 ( -0.054 0.000 2.091) 2.091 13.728 ( -2.302 0.000 1.810) 2.928 13.757 ( -3.494 0.000 4.275) 5.521 13.862 ( 1.922 0.000 1.196) 2.264 13.981 ( 0.494 0.000 -1.419) 1.502 14.080 ( -0.137 0.000 -2.340) 2.344 14.189 ( -1.616 0.000 2.105) 2.654 14.265 ( -1.690 0.000 1.630) 2.348 14.299 ( 0.739 0.000 -5.279) 5.331 14.428 ( 1.082 0.000 -1.687) 2.004 14.593 ( -1.496 0.000 -0.602) 1.612 14.701 ( -0.411 0.000 1.257) 1.322 14.847 ( -2.456 0.000 2.524) 3.522 14.988 ( -2.172 0.000 0.597) 2.253 15.042 ( 3.526 0.000 2.471) 4.306 15.165 ( 0.919 0.000 2.747) 2.897 15.314 ( -1.889 0.000 1.134) 2.203 15.386 ( -2.752 0.000 3.527) 4.473 15.438 ( -0.155 0.000 0.807) 0.822 15.504 ( -1.374 0.000 1.614) 2.119 15.643 ( -1.131 0.000 3.595) 3.768 15.680 ( -1.098 0.000 1.792) 2.102 15.780 ( 4.977 0.000 -1.762) 5.280 15.888 ( 0.093 0.000 -2.986) 2.988 16.058 ( 3.314 0.000 -3.205) 4.610 16.306 ( 1.907 0.000 -6.538) 6.811 ======================= Grid point 68 (42/50) ======================= q-point: (-0.29 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 6.667 0.000 1.018) 6.744 1.003 ( 0.111 0.000 10.596) 10.596 1.066 ( -10.042 0.000 -0.390) 10.050 1.227 ( -6.884 0.000 -7.292) 10.028 1.518 ( -1.621 0.000 2.046) 2.611 1.547 ( -2.206 0.000 0.167) 2.212 1.706 ( -2.847 0.000 -7.962) 8.456 1.750 ( -1.300 0.000 3.493) 3.727 1.861 ( 0.012 0.000 -2.463) 2.463 1.911 ( -2.797 0.000 -2.804) 3.961 1.964 ( -6.157 0.000 7.211) 9.482 2.017 ( -1.261 0.000 -0.706) 1.445 2.128 ( 1.772 0.000 -5.781) 6.046 2.240 ( -5.093 0.000 -2.712) 5.770 2.261 ( -4.968 0.000 -3.366) 6.000 2.332 ( -0.311 0.000 7.132) 7.138 2.447 ( -2.937 0.000 0.466) 2.974 2.478 ( -2.022 0.000 -4.974) 5.369 2.511 ( 0.829 0.000 -6.832) 6.882 2.668 ( -5.559 0.000 3.606) 6.626 2.829 ( 2.339 0.000 2.197) 3.209 2.844 ( -3.428 0.000 -1.352) 3.685 2.871 ( -0.874 0.000 -5.743) 5.809 2.959 ( -4.883 0.000 -1.967) 5.264 2.980 ( -4.834 0.000 -4.608) 6.678 3.024 ( 0.238 0.000 -1.033) 1.061 3.070 ( -0.229 0.000 -4.210) 4.216 3.134 ( 1.485 0.000 -5.025) 5.240 3.227 ( 4.110 0.000 1.728) 4.458 3.242 ( -1.786 0.000 4.323) 4.678 3.279 ( -6.286 0.000 1.103) 6.383 3.413 ( 1.240 0.000 -0.996) 1.591 3.455 ( -4.175 0.000 -1.663) 4.494 3.501 ( -0.504 0.000 -1.434) 1.520 3.540 ( -0.878 0.000 2.825) 2.959 3.609 ( -4.481 0.000 2.184) 4.985 3.633 ( -2.414 0.000 -6.154) 6.611 3.663 ( 1.269 0.000 -0.095) 1.272 3.773 ( -2.771 0.000 -3.014) 4.095 3.785 ( -2.385 0.000 -4.356) 4.966 3.841 ( -1.156 0.000 0.364) 1.212 3.871 ( 1.442 0.000 -0.581) 1.554 3.944 ( -0.577 0.000 -1.485) 1.593 4.005 ( -2.483 0.000 -0.340) 2.506 4.031 ( -3.990 0.000 -2.542) 4.731 4.047 ( -2.555 0.000 -0.171) 2.561 4.151 ( -0.128 0.000 0.352) 0.375 4.188 ( -1.315 0.000 1.082) 1.703 4.227 ( 0.357 0.000 -8.273) 8.280 4.312 ( -0.491 0.000 -5.173) 5.197 4.385 ( -1.117 0.000 4.623) 4.756 4.435 ( 4.474 0.000 1.153) 4.620 4.513 ( -1.149 0.000 -0.944) 1.487 4.569 ( 1.574 0.000 3.158) 3.529 4.600 ( 3.059 0.000 0.655) 3.128 4.686 ( -0.341 0.000 2.536) 2.558 4.741 ( 2.773 0.000 2.688) 3.862 4.804 ( 0.193 0.000 0.844) 0.866 4.958 ( -0.182 0.000 -3.889) 3.893 4.972 ( 0.461 0.000 -1.629) 1.693 5.030 ( 0.800 0.000 0.291) 0.852 5.124 ( -0.393 0.000 -2.469) 2.500 5.226 ( -3.040 0.000 -2.182) 3.742 5.264 ( -1.931 0.000 -2.375) 3.061 5.276 ( -1.015 0.000 3.408) 3.556 5.364 ( 1.972 0.000 2.699) 3.343 5.410 ( 0.931 0.000 4.027) 4.133 5.427 ( 2.683 0.000 0.424) 2.716 5.514 ( 1.065 0.000 -1.867) 2.149 5.525 ( -3.905 0.000 4.929) 6.289 5.562 ( -1.330 0.000 3.784) 4.012 5.619 ( -1.369 0.000 -4.677) 4.873 5.758 ( 4.714 0.000 4.180) 6.300 5.794 ( 2.029 0.000 -0.613) 2.120 5.846 ( 1.232 0.000 -3.009) 3.252 5.885 ( 4.032 0.000 1.627) 4.348 5.948 ( -2.807 0.000 2.479) 3.745 6.021 ( -0.065 0.000 0.295) 0.302 6.080 ( -0.300 0.000 1.341) 1.374 6.115 ( 1.855 0.000 -1.880) 2.641 6.161 ( 1.368 0.000 0.716) 1.544 6.192 ( 2.165 0.000 1.837) 2.840 6.286 ( -1.930 0.000 -2.469) 3.134 6.304 ( 0.136 0.000 -1.749) 1.754 6.335 ( 1.178 0.000 1.809) 2.159 6.391 ( 1.433 0.000 -0.914) 1.700 6.459 ( 2.404 0.000 0.355) 2.430 6.519 ( 1.429 0.000 2.197) 2.621 6.576 ( 1.478 0.000 -3.256) 3.576 6.653 ( -1.125 0.000 -0.143) 1.134 6.654 ( 0.942 0.000 2.653) 2.815 6.681 ( 1.369 0.000 2.088) 2.497 6.699 ( -3.668 0.000 0.701) 3.735 6.786 ( 1.012 0.000 3.151) 3.310 6.823 ( -2.574 0.000 3.025) 3.972 6.839 ( 2.324 0.000 1.411) 2.719 6.906 ( -1.351 0.000 1.912) 2.341 6.986 ( -3.133 0.000 1.315) 3.398 7.019 ( 1.230 0.000 0.100) 1.234 7.061 ( -1.003 0.000 -1.138) 1.517 7.122 ( -1.031 0.000 -1.375) 1.718 7.159 ( -4.820 0.000 -1.917) 5.188 7.205 ( -4.336 0.000 4.724) 6.413 7.252 ( -3.422 0.000 5.144) 6.178 7.305 ( 4.358 0.000 2.978) 5.279 7.382 ( -1.695 0.000 3.579) 3.961 7.391 ( 0.947 0.000 6.212) 6.284 7.510 ( -4.137 0.000 1.645) 4.452 7.552 ( -0.379 0.000 -4.768) 4.783 7.562 ( -0.555 0.000 -2.063) 2.136 7.639 ( -0.662 0.000 0.338) 0.743 7.689 ( -0.381 0.000 1.455) 1.504 7.730 ( -1.719 0.000 0.258) 1.738 7.770 ( -1.477 0.000 -2.247) 2.689 7.825 ( 0.768 0.000 -1.684) 1.851 7.859 ( -2.975 0.000 1.770) 3.462 7.905 ( 1.320 0.000 -0.642) 1.468 7.989 ( 0.770 0.000 -4.654) 4.717 8.070 ( -0.529 0.000 -1.240) 1.348 8.127 ( -0.020 0.000 -0.025) 0.032 8.194 ( 1.713 0.000 1.920) 2.572 8.230 ( 2.129 0.000 -1.669) 2.706 8.310 ( -0.767 0.000 -0.375) 0.854 8.336 ( -2.068 0.000 2.954) 3.606 8.373 ( 1.919 0.000 0.599) 2.011 8.460 ( 1.603 0.000 4.713) 4.979 8.527 ( -1.420 0.000 0.775) 1.618 8.558 ( -0.068 0.000 0.951) 0.953 8.586 ( -0.168 0.000 -0.082) 0.187 8.643 ( -1.622 0.000 3.479) 3.839 8.680 ( 1.079 0.000 1.095) 1.537 8.771 ( 3.146 0.000 0.491) 3.184 8.815 ( -2.589 0.000 -1.854) 3.184 8.883 ( 2.081 0.000 -2.555) 3.296 8.945 ( 0.112 0.000 0.307) 0.326 8.966 ( 5.424 0.000 -3.528) 6.471 9.039 ( -0.067 0.000 3.757) 3.757 9.046 ( -2.798 0.000 -6.332) 6.923 9.077 ( 0.203 0.000 -0.044) 0.208 9.177 ( 2.629 0.000 -1.915) 3.253 9.219 ( 0.498 0.000 1.162) 1.264 9.276 ( -4.915 0.000 -4.102) 6.402 9.382 ( -0.114 0.000 -1.857) 1.861 9.406 ( -0.024 0.000 2.728) 2.728 9.437 ( -1.019 0.000 2.520) 2.718 9.511 ( -6.157 0.000 5.446) 8.220 9.574 ( -2.272 0.000 4.065) 4.657 9.701 ( -0.961 0.000 3.289) 3.427 9.735 ( 0.250 0.000 -0.946) 0.978 9.771 ( -0.617 0.000 1.258) 1.402 9.815 ( 1.551 0.000 4.326) 4.596 9.853 ( -0.895 0.000 3.249) 3.370 9.900 ( -1.521 0.000 -1.030) 1.837 9.950 ( 3.510 0.000 3.890) 5.240 10.021 ( -2.870 0.000 -3.296) 4.370 10.059 ( -1.852 0.000 0.898) 2.058 10.147 ( 2.473 0.000 -0.750) 2.584 10.257 ( -0.785 0.000 4.164) 4.238 10.321 ( 1.426 0.000 1.926) 2.396 10.354 ( 6.233 0.000 1.520) 6.416 10.434 ( 3.008 0.000 -0.556) 3.059 10.475 ( 0.257 0.000 -0.833) 0.872 10.514 ( 2.974 0.000 -0.296) 2.989 10.522 ( 4.044 0.000 0.333) 4.057 10.663 ( 2.026 0.000 4.144) 4.613 10.752 ( 6.124 0.000 2.922) 6.786 10.763 ( -1.886 0.000 -0.896) 2.088 10.906 ( 0.070 0.000 2.211) 2.212 11.039 ( 4.921 0.000 -3.096) 5.814 11.264 ( 4.011 0.000 -3.646) 5.421 11.339 ( 7.666 0.000 -3.273) 8.335 11.493 ( 6.880 0.000 -1.213) 6.986 11.577 ( -0.147 0.000 -7.495) 7.497 11.671 ( 0.250 0.000 -4.239) 4.246 11.771 ( 0.711 0.000 -2.890) 2.976 11.858 ( 4.354 0.000 -6.004) 7.417 11.918 ( 1.774 0.000 -6.324) 6.568 11.972 ( 1.572 0.000 -9.157) 9.291 12.138 ( -5.194 0.000 -8.226) 9.729 12.192 ( -1.558 0.000 0.503) 1.637 12.297 ( -6.359 0.000 -4.563) 7.826 12.667 ( 1.663 0.000 -1.849) 2.487 12.742 ( 0.216 0.000 -0.218) 0.307 12.916 ( -0.525 0.000 -0.416) 0.670 12.928 ( 1.357 0.000 3.736) 3.975 12.997 ( 1.258 0.000 3.490) 3.710 13.104 ( 1.800 0.000 1.445) 2.308 13.165 ( 1.903 0.000 -3.886) 4.327 13.371 ( -1.698 0.000 -2.336) 2.888 13.506 ( -2.744 0.000 1.702) 3.229 13.591 ( 1.564 0.000 0.031) 1.564 13.653 ( -6.372 0.000 2.724) 6.930 13.719 ( -1.217 0.000 1.901) 2.257 13.900 ( 0.792 0.000 0.067) 0.795 13.989 ( 0.339 0.000 0.388) 0.515 14.030 ( -2.730 0.000 -3.003) 4.058 14.194 ( 0.241 0.000 3.644) 3.652 14.245 ( -1.440 0.000 3.797) 4.061 14.295 ( 1.556 0.000 -5.036) 5.270 14.437 ( -0.002 0.000 -0.236) 0.236 14.554 ( -1.203 0.000 -0.131) 1.210 14.714 ( 0.028 0.000 2.957) 2.957 14.822 ( -1.429 0.000 4.316) 4.547 14.940 ( -2.740 0.000 0.747) 2.840 15.152 ( 6.054 0.000 2.372) 6.502 15.226 ( 2.639 0.000 4.082) 4.860 15.258 ( -3.337 0.000 -0.173) 3.341 15.361 ( -2.103 0.000 4.718) 5.165 15.408 ( -2.375 0.000 0.459) 2.419 15.494 ( -1.127 0.000 3.288) 3.476 15.635 ( -1.745 0.000 5.064) 5.356 15.704 ( 0.688 0.000 2.794) 2.877 15.822 ( -1.567 0.000 -0.257) 1.588 15.907 ( 6.709 0.000 -7.624) 10.155 16.095 ( 3.254 0.000 -8.347) 8.959 16.302 ( 1.203 0.000 -7.625) 7.719 ======================= Grid point 69 (43/50) ======================= q-point: (-0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( -9.920 0.000 0.852) 9.957 1.022 ( 5.916 0.000 -5.043) 7.774 1.061 ( -4.540 0.000 -9.213) 10.271 1.156 ( 6.558 0.000 12.637) 14.237 1.473 ( -2.263 0.000 4.650) 5.171 1.508 ( -2.797 0.000 -4.075) 4.942 1.644 ( 0.315 0.000 -1.290) 1.328 1.731 ( -1.566 0.000 3.655) 3.976 1.857 ( -0.187 0.000 2.337) 2.344 1.894 ( -0.275 0.000 2.677) 2.691 1.955 ( 2.833 0.000 -2.617) 3.857 1.980 ( -1.852 0.000 -4.375) 4.751 2.132 ( -0.193 0.000 -1.994) 2.003 2.146 ( -3.446 0.000 0.069) 3.447 2.203 ( 1.018 0.000 -2.120) 2.352 2.298 ( -4.746 0.000 2.452) 5.342 2.387 ( -1.573 0.000 -0.939) 1.832 2.492 ( 1.095 0.000 -5.329) 5.440 2.501 ( 1.851 0.000 5.169) 5.491 2.593 ( -1.091 0.000 -0.409) 1.165 2.706 ( -7.258 0.000 -2.262) 7.602 2.773 ( -6.411 0.000 -3.767) 7.435 2.836 ( -0.831 0.000 -8.959) 8.997 2.888 ( -0.136 0.000 -3.306) 3.309 2.907 ( -0.628 0.000 0.850) 1.057 3.020 ( -0.360 0.000 0.758) 0.839 3.075 ( 0.165 0.000 -2.484) 2.490 3.121 ( -0.456 0.000 -3.172) 3.204 3.179 ( -4.438 0.000 1.714) 4.757 3.211 ( -1.734 0.000 0.141) 1.739 3.272 ( -0.880 0.000 3.225) 3.343 3.330 ( -4.309 0.000 -2.253) 4.863 3.396 ( -1.775 0.000 -2.252) 2.867 3.463 ( -5.102 0.000 1.050) 5.209 3.507 ( -4.282 0.000 -2.701) 5.063 3.540 ( 0.158 0.000 0.257) 0.301 3.624 ( 2.145 0.000 -0.628) 2.235 3.653 ( -1.575 0.000 -7.029) 7.203 3.707 ( -0.656 0.000 3.501) 3.562 3.780 ( -3.534 0.000 3.423) 4.920 3.816 ( 3.983 0.000 -4.230) 5.810 3.848 ( -2.903 0.000 -1.683) 3.356 3.928 ( -3.227 0.000 2.033) 3.814 3.948 ( -3.022 0.000 -0.885) 3.150 3.959 ( -0.266 0.000 -2.308) 2.323 4.030 ( 0.846 0.000 -0.450) 0.958 4.133 ( -0.938 0.000 -5.663) 5.740 4.175 ( 0.561 0.000 -2.313) 2.380 4.202 ( 0.702 0.000 -5.145) 5.193 4.277 ( -0.551 0.000 -4.287) 4.322 4.357 ( -1.721 0.000 2.181) 2.778 4.470 ( -1.871 0.000 -1.145) 2.194 4.534 ( 2.421 0.000 0.795) 2.548 4.609 ( 0.929 0.000 5.673) 5.749 4.644 ( 0.639 0.000 0.230) 0.679 4.690 ( 0.965 0.000 0.610) 1.142 4.798 ( -0.847 0.000 -2.109) 2.273 4.843 ( 2.887 0.000 6.499) 7.111 4.950 ( -1.266 0.000 -1.129) 1.696 4.954 ( -0.718 0.000 3.957) 4.022 5.004 ( -0.492 0.000 -6.265) 6.284 5.109 ( -0.422 0.000 -3.666) 3.690 5.173 ( -1.827 0.000 -1.407) 2.306 5.191 ( -1.270 0.000 -3.445) 3.671 5.258 ( -2.492 0.000 6.434) 6.900 5.432 ( 0.297 0.000 2.945) 2.960 5.443 ( 2.954 0.000 -0.126) 2.957 5.459 ( -2.173 0.000 3.118) 3.800 5.496 ( 0.711 0.000 -0.226) 0.746 5.550 ( 3.241 0.000 1.363) 3.516 5.589 ( 1.162 0.000 2.626) 2.871 5.617 ( 2.873 0.000 -2.294) 3.677 5.784 ( -1.328 0.000 -3.147) 3.416 5.810 ( -2.207 0.000 -4.542) 5.050 5.851 ( 1.882 0.000 2.175) 2.876 5.939 ( -0.244 0.000 3.226) 3.235 5.954 ( 1.113 0.000 4.272) 4.414 6.019 ( -0.058 0.000 -0.900) 0.902 6.108 ( 0.249 0.000 1.649) 1.668 6.133 ( 5.127 0.000 1.284) 5.285 6.189 ( -0.191 0.000 -3.150) 3.156 6.253 ( -0.717 0.000 0.674) 0.984 6.280 ( 2.244 0.000 3.331) 4.016 6.291 ( 4.416 0.000 1.208) 4.578 6.385 ( 0.604 0.000 -3.335) 3.389 6.413 ( -1.975 0.000 1.104) 2.263 6.480 ( 1.009 0.000 0.070) 1.011 6.521 ( -2.541 0.000 -0.802) 2.665 6.585 ( -0.254 0.000 -2.696) 2.708 6.646 ( -2.719 0.000 6.696) 7.227 6.665 ( -1.381 0.000 5.327) 5.503 6.676 ( 6.947 0.000 2.787) 7.485 6.746 ( -1.179 0.000 2.158) 2.459 6.793 ( 4.387 0.000 1.305) 4.577 6.803 ( 0.440 0.000 -0.823) 0.933 6.881 ( -2.360 0.000 3.942) 4.595 6.896 ( -0.642 0.000 -0.043) 0.643 6.975 ( 2.664 0.000 3.255) 4.206 6.996 ( -1.722 0.000 -0.922) 1.953 7.047 ( -2.022 0.000 -1.239) 2.372 7.092 ( -0.752 0.000 -0.224) 0.785 7.120 ( 1.342 0.000 -0.925) 1.630 7.147 ( -2.501 0.000 4.421) 5.079 7.227 ( -1.496 0.000 3.137) 3.476 7.314 ( -5.012 0.000 3.567) 6.152 7.397 ( 2.097 0.000 0.744) 2.225 7.415 ( -5.271 0.000 1.370) 5.446 7.469 ( -0.315 0.000 -0.442) 0.543 7.485 ( -3.078 0.000 -0.709) 3.158 7.590 ( 1.430 0.000 -1.616) 2.158 7.619 ( -0.034 0.000 4.853) 4.853 7.656 ( -1.314 0.000 3.886) 4.102 7.708 ( 1.325 0.000 -1.968) 2.372 7.743 ( -0.452 0.000 -4.752) 4.773 7.795 ( -3.418 0.000 2.936) 4.506 7.840 ( -1.866 0.000 0.085) 1.867 7.890 ( -3.725 0.000 -2.380) 4.420 8.007 ( 4.367 0.000 -3.510) 5.603 8.048 ( -0.327 0.000 -4.044) 4.057 8.137 ( -0.692 0.000 2.863) 2.946 8.238 ( 1.167 0.000 1.221) 1.689 8.271 ( 2.492 0.000 -0.494) 2.540 8.294 ( 0.323 0.000 -0.559) 0.645 8.344 ( -0.647 0.000 1.665) 1.786 8.397 ( 1.613 0.000 2.589) 3.050 8.504 ( 1.348 0.000 -0.926) 1.635 8.536 ( 1.481 0.000 6.879) 7.037 8.563 ( 0.163 0.000 0.457) 0.485 8.622 ( 2.949 0.000 -0.693) 3.029 8.637 ( -0.167 0.000 -1.968) 1.975 8.694 ( 0.615 0.000 0.147) 0.632 8.791 ( -1.183 0.000 -1.138) 1.641 8.807 ( 0.701 0.000 -1.500) 1.656 8.845 ( -1.443 0.000 0.149) 1.451 8.951 ( 1.541 0.000 -3.523) 3.845 8.969 ( -4.218 0.000 4.654) 6.281 9.014 ( -1.921 0.000 0.745) 2.061 9.031 ( 2.759 0.000 -2.418) 3.668 9.102 ( 0.447 0.000 0.202) 0.490 9.181 ( -1.992 0.000 -0.581) 2.075 9.212 ( -1.285 0.000 -1.865) 2.265 9.256 ( 2.876 0.000 -3.306) 4.382 9.332 ( -3.332 0.000 -2.591) 4.221 9.353 ( -3.412 0.000 -1.120) 3.591 9.401 ( -3.115 0.000 4.035) 5.097 9.495 ( 0.836 0.000 6.533) 6.587 9.547 ( -2.435 0.000 1.847) 3.057 9.674 ( -1.404 0.000 4.588) 4.798 9.716 ( -2.623 0.000 2.376) 3.539 9.795 ( 1.897 0.000 7.442) 7.680 9.819 ( -4.989 0.000 -2.287) 5.488 9.883 ( 1.265 0.000 0.221) 1.284 9.929 ( 3.395 0.000 4.970) 6.019 9.975 ( -0.398 0.000 2.945) 2.971 10.010 ( -0.345 0.000 1.510) 1.549 10.094 ( 4.437 0.000 1.854) 4.809 10.174 ( 1.421 0.000 -1.010) 1.744 10.253 ( 0.214 0.000 -0.305) 0.373 10.372 ( 1.509 0.000 1.362) 2.033 10.428 ( -1.799 0.000 -2.999) 3.498 10.439 ( 1.166 0.000 -1.902) 2.230 10.455 ( 0.521 0.000 -1.343) 1.441 10.547 ( 2.923 0.000 -4.484) 5.353 10.591 ( 3.838 0.000 -4.956) 6.268 10.706 ( -0.840 0.000 -4.376) 4.456 10.777 ( 4.935 0.000 -1.408) 5.132 10.872 ( 1.617 0.000 0.677) 1.753 10.950 ( 3.017 0.000 4.319) 5.268 11.222 ( 15.470 0.000 3.039) 15.766 11.312 ( 1.336 0.000 -0.626) 1.475 11.437 ( -1.568 0.000 -3.909) 4.212 11.531 ( 3.152 0.000 -2.448) 3.991 11.588 ( 2.284 0.000 1.104) 2.536 11.658 ( 1.008 0.000 -7.278) 7.347 11.715 ( -2.153 0.000 -3.768) 4.339 11.875 ( 1.138 0.000 -9.319) 9.389 11.930 ( 1.649 0.000 -5.776) 6.007 11.981 ( 0.950 0.000 -1.290) 1.602 12.040 ( -2.643 0.000 -3.375) 4.287 12.074 ( -5.487 0.000 -2.647) 6.092 12.255 ( 2.998 0.000 -1.710) 3.452 12.643 ( -1.057 0.000 -1.823) 2.107 12.754 ( -0.851 0.000 0.450) 0.963 12.887 ( -1.991 0.000 -0.935) 2.199 12.967 ( 1.932 0.000 1.472) 2.429 13.065 ( 1.442 0.000 2.315) 2.728 13.134 ( 0.348 0.000 1.343) 1.387 13.200 ( 3.938 0.000 -2.918) 4.901 13.326 ( -1.382 0.000 -1.656) 2.157 13.465 ( -1.691 0.000 0.872) 1.902 13.536 ( -4.453 0.000 -2.461) 5.088 13.592 ( -2.440 0.000 0.584) 2.509 13.727 ( 0.696 0.000 1.461) 1.619 13.878 ( -2.048 0.000 -1.373) 2.466 13.996 ( 0.014 0.000 1.357) 1.358 14.004 ( 1.175 0.000 0.850) 1.451 14.217 ( 0.598 0.000 0.923) 1.100 14.241 ( -0.816 0.000 2.465) 2.597 14.309 ( 1.889 0.000 -3.278) 3.783 14.409 ( -2.252 0.000 -0.502) 2.307 14.582 ( 3.155 0.000 2.097) 3.788 14.714 ( -1.486 0.000 2.264) 2.708 14.847 ( 1.197 0.000 5.503) 5.631 14.900 ( -1.680 0.000 1.171) 2.048 15.184 ( -2.979 0.000 0.033) 2.980 15.232 ( -2.329 0.000 6.022) 6.457 15.310 ( -0.193 0.000 0.869) 0.890 15.357 ( 6.143 0.000 0.686) 6.181 15.415 ( 1.387 0.000 4.396) 4.610 15.487 ( -1.717 0.000 4.021) 4.372 15.613 ( -4.443 0.000 5.293) 6.910 15.689 ( -1.830 0.000 1.521) 2.379 15.819 ( 0.712 0.000 3.259) 3.336 16.003 ( 7.328 0.000 -10.332) 12.667 16.083 ( 0.360 0.000 -10.570) 10.576 16.267 ( -0.384 0.000 -8.713) 8.722 ======================= Grid point 70 (44/50) ======================= q-point: ( 0.00 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 0.264 5.282 4.942) 7.238 0.952 ( 5.178 -9.100 -4.679) 11.468 1.121 ( 4.160 6.019 -9.511) 12.000 1.292 ( 1.469 -9.865 -3.529) 10.580 1.475 ( 4.481 6.057 3.979) 8.521 1.521 ( -0.669 2.028 6.301) 6.653 1.684 ( 2.676 1.314 -2.523) 3.905 1.718 ( 4.053 -2.956 0.460) 5.038 1.839 ( -0.133 3.575 -1.048) 3.727 1.901 ( -4.390 2.010 -0.483) 4.852 1.933 ( 2.468 -1.529 -1.655) 3.341 2.017 ( -1.168 -1.260 -1.495) 2.278 2.063 ( 0.544 0.644 -1.612) 1.819 2.121 ( 1.658 -0.850 -1.481) 2.380 2.219 ( 1.364 1.085 -2.408) 2.972 2.288 ( 0.542 -1.915 -6.276) 6.584 2.398 ( 1.346 -1.446 -5.313) 5.668 2.452 ( 0.688 -1.660 -1.763) 2.517 2.520 ( 0.814 -0.704 -4.798) 4.917 2.571 ( 1.440 -2.085 -2.353) 3.458 2.647 ( -1.488 2.806 -2.537) 4.065 2.723 ( -0.505 1.495 -0.610) 1.692 2.751 ( 0.347 -2.087 -0.486) 2.171 2.844 ( 1.746 -3.492 -6.018) 7.173 2.934 ( -3.487 1.905 2.572) 4.733 2.995 ( -3.448 -3.276 -2.777) 5.508 3.093 ( 0.660 5.191 3.960) 6.562 3.136 ( 2.947 1.511 -1.138) 3.502 3.175 ( 1.413 4.829 0.633) 5.072 3.225 ( 0.338 -0.029 0.768) 0.839 3.291 ( -1.127 5.060 -1.357) 5.359 3.323 ( -0.096 0.445 -0.163) 0.483 3.373 ( -0.846 1.423 2.631) 3.108 3.411 ( -0.562 0.634 0.826) 1.183 3.480 ( -0.855 -1.976 -3.512) 4.119 3.523 ( -0.632 2.888 7.408) 7.976 3.544 ( 0.233 -3.791 -2.818) 4.729 3.607 ( -0.281 -1.404 -0.898) 1.690 3.705 ( 0.396 -1.283 -2.390) 2.741 3.747 ( -0.470 -0.181 3.650) 3.685 3.783 ( 0.083 -3.986 1.840) 4.391 3.812 ( 0.336 -4.499 2.135) 4.991 3.885 ( -0.930 4.508 0.401) 4.620 3.958 ( -1.082 1.012 -1.663) 2.227 4.011 ( -0.710 5.233 0.457) 5.301 4.028 ( -0.903 -1.346 -0.926) 1.867 4.100 ( 0.833 1.205 -3.378) 3.682 4.116 ( 0.045 -1.716 -2.103) 2.715 4.224 ( 0.991 -2.613 -0.614) 2.862 4.308 ( -1.390 -6.661 -2.806) 7.361 4.330 ( 0.114 5.460 -0.358) 5.473 4.402 ( 2.720 4.632 -2.365) 5.869 4.505 ( 0.151 -3.821 -0.189) 3.829 4.573 ( 1.659 -5.037 -2.509) 5.867 4.705 ( 1.121 2.231 -0.818) 2.628 4.746 ( -0.819 -1.176 -1.367) 1.980 4.787 ( -1.185 4.561 -0.035) 4.713 4.851 ( -1.882 -1.276 4.470) 5.015 4.878 ( -0.676 -0.800 1.172) 1.572 4.925 ( -0.593 -4.538 -0.258) 4.584 5.035 ( 1.070 1.849 0.530) 2.201 5.080 ( 0.255 -1.073 -2.141) 2.408 5.135 ( -1.137 0.501 -0.030) 1.243 5.162 ( -1.142 -0.234 -4.034) 4.199 5.271 ( 0.160 1.611 1.718) 2.360 5.351 ( -1.112 -4.869 0.752) 5.051 5.448 ( -0.049 2.792 2.193) 3.551 5.497 ( -0.513 2.288 0.121) 2.348 5.522 ( 0.032 -2.808 -3.261) 4.303 5.569 ( 0.340 -3.370 0.248) 3.397 5.642 ( 0.431 2.258 4.719) 5.249 5.674 ( 0.331 -0.647 3.103) 3.187 5.738 ( -1.514 3.122 0.210) 3.476 5.777 ( -0.743 0.297 -2.254) 2.392 5.929 ( 0.292 2.464 0.153) 2.486 5.954 ( -0.487 0.444 1.870) 1.983 6.008 ( 1.325 3.417 -0.315) 3.679 6.042 ( 0.155 1.786 0.761) 1.947 6.128 ( -0.769 1.260 -0.321) 1.511 6.162 ( -1.465 -2.666 1.103) 3.236 6.225 ( 1.032 1.056 2.987) 3.332 6.267 ( -0.948 -0.550 1.507) 1.864 6.305 ( 3.049 0.106 0.941) 3.193 6.336 ( -1.529 0.948 -0.697) 1.929 6.371 ( -1.702 -3.150 2.946) 4.636 6.400 ( -0.334 -0.923 -0.330) 1.036 6.432 ( 0.711 2.484 -0.325) 2.604 6.482 ( -0.382 -0.838 -3.365) 3.488 6.592 ( 0.567 0.282 0.258) 0.684 6.615 ( -2.499 1.266 -0.050) 2.801 6.688 ( -0.409 -0.192 7.655) 7.668 6.735 ( 0.833 -3.409 3.698) 5.099 6.781 ( 1.298 0.042 1.313) 1.846 6.819 ( 2.203 -1.323 1.463) 2.957 6.839 ( 0.469 -1.023 -1.685) 2.027 6.854 ( 0.120 -1.264 -1.979) 2.351 6.965 ( 2.078 4.259 -0.665) 4.785 7.002 ( 1.779 1.936 1.259) 2.916 7.029 ( 0.583 2.748 0.595) 2.872 7.075 ( -0.060 4.063 2.039) 4.546 7.135 ( -0.369 -3.625 1.640) 3.996 7.153 ( -1.945 2.809 -0.490) 3.451 7.179 ( 1.622 -1.059 3.732) 4.205 7.222 ( 0.420 4.492 1.061) 4.635 7.271 ( -0.238 1.462 0.345) 1.521 7.336 ( -0.189 0.053 1.826) 1.837 7.377 ( -0.442 -0.196 -2.668) 2.712 7.426 ( -1.927 -0.166 1.854) 2.679 7.460 ( -0.502 -1.709 3.339) 3.785 7.491 ( -0.836 -7.458 1.581) 7.669 7.596 ( 1.128 -3.472 -1.230) 3.852 7.611 ( 1.181 -4.188 0.123) 4.353 7.689 ( 3.196 -0.297 -1.739) 3.650 7.709 ( 1.109 -2.043 -2.227) 3.219 7.786 ( -3.629 3.953 1.672) 5.620 7.851 ( -1.587 -1.880 -0.450) 2.501 7.891 ( 0.134 4.318 -0.733) 4.382 7.963 ( -0.636 -3.298 -2.211) 4.021 8.056 ( 0.791 3.842 -1.851) 4.337 8.124 ( 0.406 -1.845 2.224) 2.918 8.252 ( -1.580 0.494 0.051) 1.656 8.279 ( 1.135 -1.318 -1.475) 2.281 8.320 ( -1.762 2.408 -1.437) 3.311 8.370 ( 1.312 -2.534 -1.485) 3.216 8.431 ( 0.712 0.695 1.114) 1.493 8.461 ( -0.817 -2.104 2.048) 3.048 8.561 ( -0.611 0.817 1.441) 1.766 8.583 ( -0.608 0.229 3.158) 3.224 8.610 ( 0.749 -0.628 3.048) 3.201 8.651 ( -1.204 -2.249 -0.627) 2.627 8.687 ( -1.244 -0.099 -1.493) 1.946 8.712 ( 0.080 -3.109 -0.454) 3.143 8.829 ( 0.048 0.917 1.186) 1.500 8.855 ( -2.203 -1.326 3.387) 4.253 8.901 ( 0.496 2.865 1.929) 3.490 8.956 ( -0.199 -1.062 -1.295) 1.687 8.995 ( -0.872 0.713 0.305) 1.167 9.071 ( -1.476 -2.755 -0.697) 3.202 9.135 ( 1.097 3.167 1.846) 3.827 9.144 ( -2.453 1.242 -0.789) 2.860 9.177 ( 3.234 -1.377 -1.986) 4.037 9.198 ( 0.192 -2.661 -1.817) 3.228 9.275 ( -2.135 1.593 -1.321) 2.973 9.309 ( -0.678 -1.516 -2.091) 2.670 9.463 ( 2.092 2.696 4.593) 5.722 9.522 ( -0.174 -1.700 2.931) 3.393 9.584 ( 0.998 4.088 4.420) 6.103 9.650 ( -2.067 -0.417 3.903) 4.436 9.696 ( -2.246 0.452 3.015) 3.787 9.739 ( -1.069 -1.712 0.780) 2.163 9.842 ( 0.069 0.751 3.934) 4.005 9.892 ( 0.041 -3.624 1.966) 4.123 9.960 ( -0.577 4.611 5.884) 7.497 10.036 ( -0.292 -1.645 5.186) 5.449 10.100 ( 3.116 4.581 0.162) 5.542 10.161 ( -0.365 -1.722 0.507) 1.831 10.252 ( -0.523 5.669 2.002) 6.034 10.297 ( -2.465 3.775 -0.622) 4.551 10.336 ( -3.829 -0.100 -2.842) 4.770 10.368 ( -2.273 1.093 -4.821) 5.441 10.437 ( -0.220 -2.838 1.469) 3.203 10.443 ( -0.956 -2.492 -1.156) 2.909 10.569 ( 2.354 4.259 -2.082) 5.293 10.647 ( -3.034 1.008 -4.204) 5.281 10.650 ( 1.671 -1.049 -0.817) 2.135 10.710 ( -0.831 -4.155 -6.344) 7.629 10.978 ( 3.480 0.825 0.140) 3.579 10.999 ( 2.864 -0.934 0.195) 3.019 11.309 ( -2.168 0.824 -1.100) 2.567 11.320 ( -0.644 0.222 -1.917) 2.035 11.518 ( 0.941 -1.376 -3.518) 3.893 11.528 ( 0.691 -2.314 -3.903) 4.589 11.603 ( 3.640 0.693 -0.024) 3.705 11.631 ( 3.650 -1.110 -2.376) 4.495 11.707 ( 1.234 1.152 -7.232) 7.426 11.775 ( -0.102 -5.254 -4.905) 7.188 11.876 ( 0.445 2.709 -1.890) 3.333 11.954 ( -0.358 -2.565 -1.968) 3.253 12.004 ( 0.847 1.220 -2.825) 3.192 12.056 ( 2.024 -2.802 -3.306) 4.783 12.410 ( 0.741 8.838 -2.733) 9.280 12.569 ( -0.303 -5.955 -0.985) 6.044 12.800 ( -0.188 5.377 0.211) 5.385 12.872 ( -0.675 -0.273 0.087) 0.733 13.010 ( -0.575 1.690 2.321) 2.928 13.058 ( 2.934 -2.931 -0.751) 4.214 13.165 ( -0.655 3.051 0.271) 3.132 13.239 ( -2.525 -1.384 1.318) 3.167 13.281 ( 0.161 2.102 -2.238) 3.074 13.390 ( 1.189 -5.610 -1.497) 5.927 13.513 ( -0.783 0.271 0.362) 0.904 13.524 ( -0.764 -0.507 -0.593) 1.092 13.761 ( -0.634 2.244 0.953) 2.519 13.813 ( -1.040 -2.635 0.961) 2.991 14.034 ( 0.826 2.011 -0.465) 2.223 14.055 ( 2.066 0.027 0.206) 2.076 14.222 ( 0.780 0.158 -1.525) 1.720 14.236 ( 1.701 -1.024 -1.711) 2.621 14.369 ( -2.058 5.784 1.679) 6.365 14.434 ( 2.404 1.323 -1.390) 3.076 14.605 ( 0.730 -1.648 0.960) 2.042 14.670 ( -0.224 -5.498 1.375) 5.672 14.820 ( 0.260 1.342 2.202) 2.591 14.903 ( -0.090 -4.216 2.043) 4.685 15.133 ( -0.351 1.706 1.825) 2.523 15.218 ( -0.415 -4.230 2.123) 4.751 15.287 ( -1.281 4.692 5.298) 7.192 15.397 ( -0.611 -4.670 3.723) 6.003 15.449 ( -3.689 0.530 3.998) 5.466 15.465 ( 0.844 -0.713 2.660) 2.881 15.637 ( -0.398 3.868 5.464) 6.706 15.690 ( 0.894 -0.736 2.071) 2.373 15.898 ( -1.477 4.800 2.236) 5.497 15.990 ( -1.550 -2.962 -4.507) 5.612 16.095 ( 2.948 3.595 -12.883) 13.696 16.178 ( 0.609 -3.536 -9.754) 10.392 ======================= Grid point 71 (45/50) ======================= q-point: ( 0.14 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 12.566 4.477 -2.627) 13.596 1.077 ( 10.434 -9.307 -9.101) 16.683 1.169 ( 6.085 6.365 -11.083) 14.155 1.313 ( 2.053 -5.854 -4.947) 7.935 1.479 ( -1.224 6.313 -5.586) 8.518 1.594 ( 0.493 -3.382 5.522) 6.494 1.661 ( 0.314 1.736 -7.244) 7.456 1.715 ( 0.081 -3.019 -4.393) 5.331 1.819 ( -1.154 3.502 -0.703) 3.753 1.859 ( 0.176 0.406 -2.297) 2.340 2.002 ( 3.019 3.477 0.595) 4.644 2.027 ( 3.183 3.646 -0.003) 4.839 2.126 ( 3.936 -3.237 0.407) 5.112 2.149 ( 3.227 1.209 -2.345) 4.168 2.245 ( 1.387 -2.317 -3.360) 4.311 2.306 ( 5.394 -2.842 -6.625) 9.003 2.409 ( 1.592 2.173 -1.302) 2.992 2.451 ( 1.315 1.232 -2.723) 3.265 2.553 ( 2.508 -4.447 -2.463) 5.669 2.581 ( 2.491 -3.224 -3.887) 5.631 2.657 ( 3.761 -0.022 -1.972) 4.247 2.717 ( 1.602 -4.007 0.069) 4.316 2.790 ( 1.617 2.451 0.398) 2.963 2.878 ( 3.297 -2.969 -3.491) 5.646 2.927 ( 0.661 -1.324 4.200) 4.453 2.962 ( 1.129 -2.309 1.915) 3.205 3.102 ( -0.639 7.453 1.193) 7.575 3.153 ( -0.218 1.473 -3.188) 3.519 3.216 ( -0.526 6.923 1.345) 7.072 3.246 ( 3.769 1.038 -2.043) 4.411 3.306 ( 2.176 1.308 0.416) 2.572 3.326 ( 0.825 2.972 1.624) 3.486 3.374 ( 1.334 -1.800 2.388) 3.275 3.441 ( -1.940 -3.416 1.287) 4.133 3.460 ( 2.394 -1.726 0.952) 3.101 3.543 ( 1.181 -4.995 -1.292) 5.292 3.575 ( 1.683 2.414 3.986) 4.955 3.603 ( 0.868 0.964 -1.391) 1.902 3.703 ( 0.266 0.807 -0.834) 1.191 3.773 ( -0.581 3.739 1.793) 4.188 3.788 ( 1.974 -1.413 3.647) 4.381 3.850 ( 1.776 0.006 2.245) 2.862 3.907 ( 1.446 -2.070 -3.797) 4.560 3.953 ( 0.864 -0.632 0.248) 1.099 3.994 ( 0.033 4.561 1.355) 4.758 4.031 ( 2.202 0.231 1.528) 2.690 4.104 ( 1.975 0.292 -2.155) 2.937 4.139 ( 1.822 -0.001 -1.632) 2.446 4.222 ( 0.232 -3.167 -2.125) 3.821 4.299 ( 0.220 -5.787 -0.249) 5.797 4.347 ( 2.479 7.045 -0.144) 7.470 4.454 ( 4.241 4.785 -4.123) 7.608 4.518 ( 0.524 -4.574 1.473) 4.834 4.604 ( 3.173 -5.747 -4.145) 7.763 4.680 ( -2.217 1.340 -2.666) 3.717 4.730 ( -0.526 -2.444 0.063) 2.500 4.788 ( 0.462 5.101 2.533) 5.714 4.842 ( -1.529 -0.824 5.120) 5.406 4.873 ( -1.272 -0.415 2.590) 2.915 4.925 ( -0.166 -3.991 0.985) 4.114 4.999 ( -3.921 0.756 -2.601) 4.766 5.043 ( -2.339 -1.919 -1.171) 3.244 5.131 ( 0.477 1.232 0.145) 1.329 5.163 ( 1.917 0.221 0.632) 2.030 5.283 ( 0.081 0.086 0.798) 0.807 5.338 ( -1.083 -4.209 2.469) 4.998 5.446 ( -1.595 1.392 -0.254) 2.132 5.463 ( -1.487 0.558 1.665) 2.301 5.517 ( -0.770 -1.018 -0.656) 1.435 5.546 ( -1.220 -2.911 -0.054) 3.157 5.653 ( -0.190 2.990 0.415) 3.024 5.682 ( -1.039 0.674 1.692) 2.096 5.735 ( 0.413 2.443 1.847) 3.090 5.776 ( 1.123 -0.288 -1.873) 2.202 5.922 ( -0.691 1.504 1.193) 2.041 5.936 ( -1.182 -0.051 0.681) 1.365 6.024 ( 0.019 3.538 -2.019) 4.074 6.058 ( -0.446 3.564 3.643) 5.116 6.108 ( -3.172 -3.038 1.235) 4.563 6.120 ( 0.054 0.018 -0.989) 0.990 6.198 ( -3.230 0.521 -0.130) 3.274 6.238 ( -3.504 -3.648 3.096) 5.930 6.286 ( -2.826 3.015 -0.014) 4.132 6.324 ( -5.342 -0.263 2.397) 5.861 6.353 ( -0.800 3.824 1.079) 4.053 6.416 ( 1.828 -0.180 -0.736) 1.979 6.456 ( 1.970 -0.716 0.676) 2.203 6.502 ( 3.934 -3.790 -2.349) 5.946 6.551 ( -2.120 -0.319 -0.547) 2.213 6.583 ( -2.398 -1.086 2.256) 3.467 6.693 ( -2.761 1.207 2.645) 4.009 6.736 ( -0.600 -1.199 0.837) 1.580 6.789 ( -1.220 2.125 0.634) 2.531 6.835 ( 1.312 -0.481 -0.149) 1.405 6.862 ( 0.826 -1.092 -1.645) 2.140 6.897 ( 3.830 -2.342 -2.196) 4.998 6.972 ( 1.516 3.996 -5.124) 6.672 7.024 ( 1.529 2.257 -1.500) 3.111 7.053 ( 1.826 1.111 -1.859) 2.833 7.093 ( 0.911 3.041 -0.477) 3.210 7.132 ( -2.230 -1.422 -0.344) 2.667 7.153 ( -0.161 0.918 0.541) 1.077 7.199 ( 2.634 0.843 3.726) 4.640 7.270 ( 3.343 -0.120 1.104) 3.522 7.303 ( 1.016 2.012 3.214) 3.926 7.332 ( -0.915 1.258 0.255) 1.576 7.380 ( 2.709 -1.213 -2.755) 4.050 7.437 ( 1.749 -2.258 5.071) 5.820 7.481 ( 1.343 1.015 2.281) 2.835 7.505 ( 0.766 -0.653 -0.164) 1.020 7.607 ( 0.348 -4.744 -2.993) 5.620 7.627 ( 0.696 -4.528 -1.307) 4.764 7.688 ( 1.160 0.717 -1.662) 2.149 7.722 ( 0.307 -0.787 -2.351) 2.498 7.801 ( 1.315 0.219 2.194) 2.567 7.844 ( 1.616 -1.712 1.613) 2.854 7.916 ( 1.649 1.319 0.225) 2.123 7.951 ( -0.775 -2.500 0.007) 2.617 8.056 ( 0.345 5.987 -1.932) 6.301 8.157 ( 1.344 -2.235 1.155) 2.852 8.224 ( -1.058 0.100 1.010) 1.466 8.241 ( -2.921 -1.048 -1.297) 3.363 8.302 ( -1.074 1.180 0.742) 1.759 8.382 ( -1.876 -2.238 1.093) 3.118 8.390 ( -1.413 -0.380 0.153) 1.471 8.456 ( -1.153 -3.121 1.751) 3.760 8.552 ( -1.515 1.503 1.973) 2.906 8.577 ( 0.234 -0.282 -0.969) 1.036 8.601 ( -1.831 1.673 0.202) 2.488 8.653 ( -0.205 0.426 1.226) 1.314 8.679 ( 1.577 -1.150 1.137) 2.259 8.706 ( 0.238 -3.881 0.711) 3.952 8.802 ( -1.739 2.824 2.029) 3.888 8.848 ( -1.248 0.046 5.336) 5.480 8.905 ( -3.890 0.881 0.115) 3.990 8.945 ( -4.403 -2.804 1.555) 5.447 8.985 ( 3.845 1.196 -0.468) 4.054 9.029 ( -0.313 -1.340 0.673) 1.532 9.086 ( -1.299 2.944 0.849) 3.328 9.189 ( 1.087 -2.386 -0.241) 2.633 9.204 ( 1.974 1.840 -0.950) 2.861 9.245 ( 1.205 -0.967 -0.410) 1.598 9.289 ( 1.800 0.181 1.623) 2.430 9.318 ( 2.101 -2.716 -0.211) 3.441 9.469 ( -1.825 2.358 -1.875) 3.522 9.509 ( -1.208 0.521 4.288) 4.485 9.556 ( -3.915 0.944 0.705) 4.089 9.623 ( -1.698 -3.067 6.704) 7.565 9.710 ( 0.630 2.433 3.554) 4.353 9.769 ( 0.492 -2.347 2.272) 3.303 9.890 ( 2.783 1.429 3.028) 4.354 9.910 ( 0.696 -1.176 1.700) 2.182 9.969 ( -0.596 5.457 2.790) 6.158 10.047 ( -1.447 -0.859 1.544) 2.284 10.092 ( -5.880 0.943 -1.887) 6.247 10.130 ( -0.718 -0.160 -3.022) 3.110 10.211 ( -4.609 2.808 5.147) 7.458 10.232 ( -2.050 2.484 4.198) 5.291 10.300 ( -0.163 2.505 3.394) 4.221 10.347 ( -0.583 -2.219 3.159) 3.904 10.398 ( -1.104 1.159 0.021) 1.601 10.462 ( -0.479 -2.821 0.544) 2.912 10.515 ( -3.458 1.366 -1.636) 4.062 10.567 ( -2.892 -2.473 -1.648) 4.146 10.642 ( 0.840 5.395 1.042) 5.559 10.755 ( 2.580 -4.673 -2.244) 5.790 10.936 ( -3.125 2.499 -5.535) 6.830 10.991 ( -0.820 -2.461 -5.751) 6.309 11.314 ( -3.501 1.197 -0.659) 3.758 11.337 ( -7.918 -0.798 -1.971) 8.198 11.431 ( 4.971 2.127 -3.597) 6.494 11.495 ( 0.983 -3.527 -2.181) 4.262 11.585 ( -1.969 1.757 -3.399) 4.303 11.636 ( -1.143 -3.427 -4.383) 5.680 11.731 ( 2.828 0.939 -6.142) 6.827 11.793 ( 1.752 -3.634 -5.281) 6.645 11.890 ( 0.041 1.693 -2.064) 2.670 11.939 ( -1.102 -2.346 -1.479) 2.985 12.022 ( 4.024 -0.243 -4.051) 5.715 12.071 ( 1.416 -2.735 -2.820) 4.176 12.416 ( 1.945 8.816 -2.975) 9.505 12.567 ( 0.315 -5.805 -0.217) 5.818 12.804 ( 0.769 4.353 0.398) 4.439 12.874 ( 0.399 -1.470 1.152) 1.909 13.002 ( -0.350 5.087 -0.383) 5.114 13.100 ( 1.186 -2.142 -2.772) 3.698 13.154 ( -1.144 -0.584 1.795) 2.207 13.208 ( -2.275 -3.444 2.538) 4.845 13.277 ( 1.653 7.003 -2.250) 7.539 13.410 ( 1.477 -5.132 -0.762) 5.395 13.502 ( 0.659 2.044 2.795) 3.525 13.562 ( 2.655 -3.729 0.298) 4.587 13.756 ( -0.418 2.404 1.541) 2.886 13.809 ( -0.322 -2.630 2.104) 3.383 14.043 ( 0.752 3.135 -1.864) 3.724 14.091 ( 2.150 -0.390 -3.098) 3.791 14.226 ( 0.587 1.829 -1.384) 2.367 14.263 ( 2.245 -1.086 -2.805) 3.753 14.322 ( -2.235 4.577 0.040) 5.094 14.449 ( -1.180 -4.277 -1.559) 4.703 14.615 ( 1.120 2.188 -1.108) 2.696 14.700 ( 2.236 -4.784 0.759) 5.335 14.833 ( 0.099 1.542 0.729) 1.708 14.916 ( 0.427 -4.295 1.222) 4.486 15.145 ( 0.516 2.480 1.590) 2.991 15.243 ( 1.302 -6.177 1.080) 6.405 15.276 ( -2.875 4.065 5.496) 7.416 15.342 ( -4.005 -0.932 3.686) 5.522 15.425 ( -1.615 2.328 2.970) 4.105 15.493 ( -0.404 -2.570 3.946) 4.726 15.658 ( -0.161 2.660 4.186) 4.962 15.712 ( 0.899 -1.708 0.037) 1.931 15.870 ( -2.738 4.493 1.403) 5.446 15.936 ( -1.792 0.645 0.300) 1.928 16.069 ( 0.459 2.479 -9.911) 10.227 16.169 ( 2.638 -5.050 -5.759) 8.101 ======================= Grid point 72 (46/50) ======================= q-point: ( 0.29 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 1.952 1.434 -14.999) 15.193 1.126 ( 0.708 -4.276 -14.964) 15.579 1.280 ( 9.462 4.778 -1.038) 10.651 1.391 ( 6.728 -1.349 -0.389) 6.872 1.434 ( 4.232 4.169 -9.226) 10.974 1.601 ( 2.436 -4.752 -3.994) 6.668 1.649 ( 0.304 0.309 -6.305) 6.320 1.691 ( -1.027 -4.402 -5.624) 7.215 1.831 ( 1.502 0.547 0.233) 1.616 1.878 ( 2.176 -2.894 0.243) 3.629 2.031 ( 2.479 6.292 -2.461) 7.197 2.101 ( 4.244 6.976 -0.134) 8.166 2.165 ( 3.230 -2.788 -2.194) 4.798 2.220 ( 2.343 5.773 -2.393) 6.674 2.290 ( 5.172 -4.533 -0.471) 6.893 2.371 ( 2.998 -3.696 -3.084) 5.671 2.462 ( 3.600 -0.796 -4.080) 5.499 2.470 ( 2.703 1.347 -3.473) 4.603 2.558 ( 3.239 1.852 -4.300) 5.694 2.678 ( 4.042 -3.444 3.112) 6.155 2.725 ( 3.480 -3.150 -1.739) 5.006 2.780 ( 3.134 -5.372 3.802) 7.289 2.817 ( 1.204 3.068 -0.728) 3.375 2.893 ( -0.052 -2.395 1.686) 2.930 2.974 ( 1.257 1.065 1.268) 2.079 3.005 ( 0.341 -2.058 4.878) 5.305 3.079 ( -1.512 6.252 1.054) 6.518 3.146 ( -0.140 -0.670 -0.177) 0.707 3.208 ( 0.196 8.235 -2.128) 8.508 3.283 ( 0.013 2.187 0.154) 2.193 3.346 ( 3.336 0.300 0.298) 3.362 3.377 ( 1.963 -2.904 1.213) 3.709 3.422 ( 0.174 -4.094 2.999) 5.078 3.435 ( 1.750 -2.281 2.776) 3.996 3.513 ( 1.277 -1.042 0.695) 1.789 3.553 ( 2.246 -3.713 -3.694) 5.699 3.620 ( 2.394 2.473 -3.791) 5.120 3.640 ( 4.232 1.143 0.097) 4.384 3.737 ( 3.551 1.068 1.832) 4.136 3.791 ( 1.150 -1.377 4.934) 5.250 3.827 ( -0.279 3.006 1.300) 3.287 3.884 ( 0.786 1.241 -1.467) 2.076 3.911 ( 2.408 -1.610 3.932) 4.884 3.989 ( 2.438 -1.914 0.825) 3.207 4.038 ( 1.924 4.007 0.550) 4.479 4.096 ( 2.505 1.303 1.472) 3.184 4.130 ( 1.470 0.146 -1.445) 2.067 4.160 ( 1.378 1.626 -3.187) 3.834 4.233 ( 2.257 -1.738 -2.984) 4.126 4.301 ( 0.258 -1.638 0.174) 1.667 4.401 ( 1.715 2.117 -0.090) 2.726 4.482 ( -2.331 -0.975 -2.477) 3.538 4.533 ( 2.227 1.850 -1.553) 3.285 4.617 ( 0.745 -3.473 -6.230) 7.171 4.639 ( -0.519 2.708 -0.812) 2.874 4.723 ( -0.509 -2.409 -0.989) 2.653 4.786 ( -2.614 3.171 1.899) 4.527 4.839 ( -1.066 2.076 2.984) 3.788 4.867 ( -0.380 -2.308 4.015) 4.646 4.905 ( -1.468 2.910 3.915) 5.094 4.956 ( 0.366 -4.199 -1.311) 4.414 5.001 ( -1.477 -4.181 2.040) 4.881 5.159 ( 1.079 2.077 4.399) 4.983 5.202 ( 1.898 -1.461 -1.006) 2.598 5.281 ( -1.357 -0.503 2.475) 2.867 5.325 ( -0.894 -4.515 0.395) 4.619 5.428 ( 0.121 -1.685 -0.800) 1.869 5.437 ( -1.277 -1.723 0.110) 2.147 5.509 ( 0.115 1.647 2.088) 2.662 5.533 ( -0.559 -0.481 0.442) 0.859 5.652 ( 0.707 3.412 -1.826) 3.934 5.677 ( 0.230 1.688 0.420) 1.754 5.742 ( -0.974 -0.035 1.185) 1.534 5.761 ( -0.724 -0.887 -4.642) 4.781 5.903 ( -2.741 0.992 1.327) 3.203 5.930 ( -2.261 0.214 0.313) 2.293 5.991 ( -1.767 3.953 -0.324) 4.343 6.023 ( -2.498 2.293 2.677) 4.321 6.082 ( -0.539 -0.358 -0.243) 0.691 6.116 ( -0.380 -1.438 -0.566) 1.591 6.155 ( -1.571 -0.066 2.322) 2.804 6.200 ( -1.849 -2.077 1.247) 3.048 6.219 ( -3.277 0.061 -0.508) 3.316 6.238 ( -2.624 -2.118 4.588) 5.694 6.336 ( -0.752 4.162 0.671) 4.282 6.415 ( -1.660 -1.572 -2.351) 3.279 6.474 ( 0.239 3.268 -1.235) 3.502 6.516 ( -0.972 0.661 -0.233) 1.198 6.557 ( 1.959 -1.835 2.619) 3.750 6.610 ( 2.459 -3.563 0.487) 4.356 6.648 ( -1.728 1.432 1.019) 2.465 6.705 ( -1.389 -2.704 0.030) 3.040 6.794 ( 0.094 4.413 1.085) 4.546 6.840 ( -0.069 -0.633 -1.084) 1.257 6.874 ( -0.024 3.131 -0.265) 3.142 6.926 ( 1.216 2.557 -4.241) 5.099 6.987 ( 0.523 -0.561 -3.580) 3.661 7.025 ( -0.381 -1.322 -0.074) 1.377 7.060 ( -1.899 3.117 -4.499) 5.793 7.101 ( 1.078 1.201 0.898) 1.847 7.125 ( 2.003 -0.351 -2.950) 3.583 7.156 ( 1.091 -0.145 -2.885) 3.088 7.222 ( -0.244 0.255 1.753) 1.788 7.282 ( -0.506 -3.414 0.634) 3.509 7.344 ( 3.383 1.301 -2.943) 4.668 7.375 ( 2.326 -0.801 3.679) 4.426 7.432 ( -0.681 -0.368 2.806) 2.911 7.476 ( 0.598 -0.205 -2.619) 2.695 7.488 ( -0.435 -2.897 0.863) 3.054 7.528 ( 3.561 -2.440 1.011) 4.434 7.607 ( 1.129 0.910 -1.653) 2.199 7.670 ( 2.330 -2.781 0.302) 3.641 7.715 ( 1.850 0.189 -0.690) 1.984 7.734 ( 1.195 0.490 0.495) 1.383 7.821 ( 0.750 1.417 2.283) 2.790 7.878 ( 0.066 -2.198 0.986) 2.410 7.927 ( 0.704 0.649 -0.142) 0.968 7.946 ( -0.290 -1.061 0.365) 1.158 8.050 ( 0.146 4.807 -0.866) 4.887 8.146 ( -0.820 -3.172 -1.228) 3.499 8.179 ( -1.970 1.843 1.499) 3.086 8.218 ( -2.110 -0.474 2.269) 3.135 8.286 ( -1.414 1.693 2.217) 3.127 8.357 ( -0.532 0.618 0.500) 0.956 8.391 ( 0.828 -2.714 0.038) 2.838 8.458 ( -0.704 -4.806 2.125) 5.302 8.531 ( -0.634 3.194 -0.080) 3.257 8.575 ( -0.719 -0.840 -2.516) 2.748 8.602 ( 2.014 0.645 -1.406) 2.539 8.666 ( 0.097 -1.555 1.810) 2.388 8.688 ( -0.402 -0.281 1.142) 1.243 8.721 ( 1.342 -2.055 -2.215) 3.306 8.805 ( 1.479 0.336 3.813) 4.103 8.821 ( -2.518 0.274 1.795) 3.104 8.875 ( -2.142 1.339 5.574) 6.120 8.905 ( -0.937 -0.811 7.049) 7.157 9.020 ( 0.584 1.403 -0.269) 1.544 9.042 ( 1.007 -0.664 -1.683) 2.070 9.105 ( 1.347 4.944 2.648) 5.768 9.162 ( -3.533 1.847 0.460) 4.013 9.208 ( -1.135 1.537 0.836) 2.085 9.255 ( 1.526 -2.184 0.725) 2.761 9.312 ( -1.358 -0.513 2.721) 3.084 9.350 ( 1.028 -0.799 1.934) 2.331 9.451 ( -1.322 -3.354 -0.151) 3.608 9.480 ( -0.350 -6.445 0.518) 6.475 9.570 ( 2.393 2.110 4.695) 5.676 9.634 ( 0.211 -3.671 5.242) 6.403 9.716 ( -2.038 2.600 2.830) 4.350 9.754 ( -2.329 -0.894 1.355) 2.839 9.868 ( -4.588 2.113 0.511) 5.077 9.916 ( -3.319 -1.512 -2.137) 4.227 9.965 ( -2.034 4.621 1.557) 5.284 9.994 ( 0.326 1.460 -0.831) 1.711 10.049 ( 0.327 0.628 3.931) 3.994 10.082 ( -1.779 -1.469 0.060) 2.308 10.188 ( -0.382 4.208 1.518) 4.490 10.260 ( 0.464 2.119 6.287) 6.651 10.287 ( -3.016 -0.049 3.776) 4.833 10.339 ( -0.849 -2.236 2.874) 3.739 10.405 ( 0.171 1.965 2.089) 2.873 10.438 ( -1.282 -0.417 0.590) 1.471 10.487 ( 1.106 2.766 0.249) 2.990 10.575 ( -0.288 -2.004 5.143) 5.528 10.652 ( 1.561 2.900 -3.046) 4.486 10.745 ( -2.441 -4.148 0.136) 4.815 10.870 ( -1.453 3.108 -7.801) 8.522 10.920 ( -4.947 -1.365 -6.325) 8.145 11.151 ( -2.032 -0.029 -9.253) 9.474 11.185 ( -6.140 -3.151 -3.424) 7.704 11.414 ( -5.424 4.720 -4.472) 8.468 11.497 ( -3.770 -3.352 -5.649) 7.574 11.566 ( -0.275 1.170 -1.164) 1.673 11.602 ( 1.188 -1.522 -0.218) 1.943 11.767 ( 4.106 -1.211 -3.127) 5.301 11.807 ( 2.437 -3.695 -3.832) 5.855 11.884 ( 0.673 0.234 -4.132) 4.193 11.892 ( -0.800 -0.118 -2.411) 2.542 12.063 ( 3.216 -0.457 -3.894) 5.071 12.115 ( 3.066 -4.321 -1.071) 5.406 12.442 ( 1.833 8.365 -2.546) 8.934 12.584 ( 1.645 -5.780 -0.277) 6.016 12.827 ( 1.308 5.344 0.192) 5.505 12.893 ( 0.650 -1.184 1.110) 1.748 12.986 ( -1.065 4.169 -1.755) 4.647 13.075 ( -2.612 -1.518 -0.388) 3.046 13.123 ( -0.581 2.260 -3.734) 4.403 13.197 ( -0.289 -1.055 0.871) 1.399 13.320 ( 2.865 3.774 1.408) 4.943 13.441 ( 1.610 -6.230 0.815) 6.486 13.548 ( 1.385 2.316 3.857) 4.707 13.615 ( 2.427 -3.741 2.367) 5.049 13.757 ( -0.319 2.338 0.862) 2.512 13.816 ( -0.314 -3.099 1.836) 3.616 14.042 ( 0.403 3.382 -2.803) 4.411 14.101 ( 0.895 -0.572 -4.344) 4.472 14.232 ( -0.636 4.597 2.682) 5.360 14.277 ( 1.008 1.500 -2.593) 3.161 14.314 ( 2.251 -1.525 -4.895) 5.599 14.393 ( -2.891 -6.913 -0.580) 7.516 14.637 ( 1.486 4.999 -1.877) 5.543 14.741 ( 1.532 -4.770 -0.416) 5.027 14.827 ( -0.890 3.271 0.222) 3.397 14.930 ( 0.440 -5.113 1.221) 5.275 15.133 ( -3.316 3.915 1.930) 5.482 15.218 ( -1.925 -3.528 0.870) 4.112 15.297 ( 0.021 1.134 3.100) 3.301 15.323 ( 1.236 -2.355 2.906) 3.939 15.416 ( -0.786 2.661 1.975) 3.406 15.486 ( -2.087 -2.835 3.467) 4.941 15.670 ( -0.354 1.531 1.717) 2.328 15.718 ( -0.993 -3.101 1.690) 3.669 15.827 ( -1.237 6.600 -0.159) 6.717 15.928 ( 0.130 -0.255 1.359) 1.388 16.034 ( 0.053 5.930 -4.592) 7.500 16.197 ( 2.512 -7.164 -4.151) 8.652 ======================= Grid point 73 (47/50) ======================= q-point: ( 0.43 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -4.160 2.559 -11.307) 12.317 1.028 ( -2.906 -5.215 -10.298) 11.903 1.361 ( 1.966 6.586 -6.267) 9.301 1.461 ( -1.083 0.038 -0.754) 1.320 1.546 ( 5.009 0.804 -4.819) 6.997 1.598 ( 0.065 3.465 -3.932) 5.241 1.644 ( 3.502 -5.157 -1.718) 6.466 1.686 ( 2.753 -4.376 -7.186) 8.853 1.862 ( 1.923 -1.882 -1.719) 3.193 1.894 ( 1.054 -3.912 -3.407) 5.294 2.082 ( 2.350 5.314 0.545) 5.835 2.147 ( 1.009 1.690 0.876) 2.155 2.239 ( 2.057 5.398 -2.782) 6.412 2.283 ( 5.122 0.159 0.933) 5.209 2.356 ( 1.278 0.356 -0.692) 1.496 2.404 ( 1.402 -2.087 -0.345) 2.538 2.459 ( 1.175 -2.859 -6.256) 6.978 2.502 ( -0.308 -5.896 -4.584) 7.475 2.593 ( 1.177 5.391 -0.760) 5.570 2.729 ( 0.533 -3.231 -2.252) 3.974 2.743 ( -1.034 2.285 -0.577) 2.573 2.811 ( 0.960 -0.113 -0.278) 1.006 2.886 ( 4.367 0.229 4.691) 6.414 2.938 ( 3.415 -3.016 1.327) 4.745 2.979 ( -2.515 1.514 4.513) 5.384 3.026 ( 1.186 -1.152 5.526) 5.768 3.085 ( 1.541 1.552 1.003) 2.406 3.144 ( 0.293 -1.452 2.073) 2.548 3.205 ( 1.450 4.678 -2.379) 5.445 3.303 ( 1.512 2.064 -3.844) 4.618 3.349 ( -3.558 -2.558 -1.406) 4.602 3.382 ( -2.752 1.050 -0.673) 3.022 3.419 ( 1.067 -1.541 -1.108) 2.178 3.477 ( 2.663 -2.900 -1.230) 4.125 3.538 ( 3.086 1.948 -2.243) 4.283 3.595 ( 1.304 -5.583 -3.116) 6.525 3.658 ( 3.417 2.238 -1.326) 4.294 3.731 ( 3.593 -0.141 0.038) 3.596 3.810 ( 1.418 1.940 2.644) 3.573 3.838 ( 3.123 1.468 3.253) 4.743 3.885 ( 3.350 0.666 4.015) 5.271 3.913 ( 1.773 1.732 1.962) 3.161 3.971 ( 1.035 -2.108 2.517) 3.443 4.004 ( -4.328 -0.514 2.383) 4.967 4.041 ( 1.032 1.805 0.323) 2.104 4.107 ( -0.692 -1.763 -1.985) 2.744 4.159 ( -0.025 3.805 2.209) 4.400 4.180 ( 2.990 -0.519 -0.473) 3.071 4.267 ( 1.293 -1.794 -1.413) 2.624 4.290 ( -1.815 -2.590 -1.862) 3.670 4.351 ( -3.692 2.099 -3.999) 5.834 4.411 ( -2.670 -3.468 -0.688) 4.430 4.551 ( 0.378 1.630 -3.536) 3.912 4.585 ( -0.853 -0.607 -6.138) 6.226 4.642 ( 0.246 3.920 1.342) 4.151 4.696 ( -1.062 0.378 -1.227) 1.666 4.762 ( 0.809 4.897 -0.107) 4.964 4.832 ( -0.127 4.073 1.184) 4.244 4.897 ( 1.387 -1.303 -1.586) 2.477 4.924 ( -0.524 -3.231 4.095) 5.242 4.962 ( 1.161 -2.018 5.183) 5.682 5.024 ( 1.169 -3.501 4.123) 5.534 5.200 ( 0.109 0.729 3.958) 4.026 5.220 ( 1.193 -0.462 -1.119) 1.700 5.268 ( -0.454 -0.821 1.775) 2.008 5.314 ( -0.861 -5.105 1.556) 5.406 5.417 ( -0.008 -1.633 -3.424) 3.794 5.434 ( 0.868 -2.945 -2.143) 3.744 5.506 ( -1.309 4.112 3.181) 5.361 5.569 ( 1.661 -1.635 4.412) 4.990 5.645 ( -2.148 3.146 0.460) 3.836 5.691 ( -0.501 0.391 -4.168) 4.216 5.702 ( 1.176 0.662 -0.946) 1.648 5.740 ( -0.123 -2.087 -0.381) 2.125 5.829 ( -3.939 1.605 -1.558) 4.530 5.864 ( -2.221 -0.890 -0.118) 2.395 5.979 ( -0.699 4.400 -0.752) 4.518 6.005 ( -0.358 2.752 -0.157) 2.780 6.069 ( -2.238 -2.066 1.365) 3.338 6.092 ( 0.823 -2.410 -0.235) 2.558 6.147 ( -0.893 -0.170 -1.196) 1.502 6.178 ( -1.133 -0.010 4.159) 4.311 6.215 ( 1.755 -0.416 3.217) 3.688 6.257 ( 0.358 -3.301 3.397) 4.750 6.360 ( 2.579 2.062 1.065) 3.470 6.393 ( 1.421 -0.889 0.603) 1.781 6.459 ( -0.622 3.664 -2.632) 4.554 6.503 ( 0.074 1.283 -1.319) 1.841 6.578 ( -2.497 1.268 3.328) 4.350 6.629 ( 0.542 -1.105 -1.853) 2.224 6.640 ( -1.677 1.015 0.900) 2.157 6.688 ( -0.229 -3.342 0.530) 3.392 6.791 ( -0.601 2.419 0.922) 2.658 6.825 ( -0.661 -0.969 -0.123) 1.180 6.860 ( -0.471 5.900 -0.165) 5.921 6.902 ( -1.864 4.279 -3.369) 5.756 6.939 ( -2.868 0.643 -2.052) 3.585 6.986 ( -1.498 -0.738 -3.128) 3.546 7.033 ( 0.302 -0.768 -0.668) 1.062 7.101 ( -1.962 -3.094 -0.184) 3.668 7.121 ( 0.939 0.085 -1.271) 1.582 7.157 ( 0.137 -2.871 -1.726) 3.353 7.264 ( 2.765 1.172 0.325) 3.020 7.315 ( 0.822 -2.714 2.395) 3.712 7.364 ( -1.815 0.844 0.703) 2.121 7.388 ( -0.197 -0.870 -0.689) 1.127 7.427 ( 1.354 0.317 -0.532) 1.489 7.445 ( -2.303 -2.884 -1.891) 4.147 7.534 ( 3.028 1.970 2.097) 4.177 7.596 ( 1.765 -3.684 -1.533) 4.363 7.614 ( 0.892 2.572 2.176) 3.485 7.668 ( -1.769 -2.603 -1.102) 3.335 7.734 ( -0.334 0.359 0.687) 0.845 7.752 ( 0.614 -0.419 1.028) 1.269 7.859 ( 1.314 2.441 0.516) 2.820 7.890 ( 1.168 -0.787 0.333) 1.447 7.932 ( -0.103 -1.220 0.280) 1.256 7.943 ( 0.661 -1.203 -2.811) 3.128 8.069 ( 1.330 4.712 2.971) 5.728 8.142 ( -0.742 -1.086 1.992) 2.387 8.190 ( 1.251 0.507 1.499) 2.017 8.214 ( 1.300 2.120 1.782) 3.060 8.274 ( -0.346 0.167 1.887) 1.925 8.351 ( -0.240 -0.304 -0.811) 0.899 8.387 ( -1.254 -2.666 -1.852) 3.480 8.429 ( -2.128 -1.550 0.721) 2.729 8.527 ( -0.000 -0.076 -1.502) 1.503 8.538 ( -1.775 -0.984 -0.779) 2.174 8.598 ( -1.022 1.232 0.029) 1.601 8.646 ( -1.499 -3.952 0.588) 4.267 8.730 ( 1.451 0.092 0.181) 1.465 8.750 ( 3.692 -1.358 -1.293) 4.141 8.801 ( -2.117 3.281 3.258) 5.086 8.838 ( -2.702 0.452 2.523) 3.724 8.888 ( 3.390 1.716 3.406) 5.103 8.939 ( 1.044 -2.523 5.341) 5.999 9.014 ( -1.424 3.448 -0.318) 3.744 9.051 ( 0.310 0.310 -0.829) 0.938 9.106 ( -0.437 3.714 0.892) 3.845 9.155 ( 0.742 -0.475 3.311) 3.427 9.199 ( 0.890 2.831 0.492) 3.008 9.279 ( -2.179 -0.270 1.088) 2.450 9.315 ( 3.456 -2.577 3.778) 5.733 9.394 ( -0.241 -1.580 1.541) 2.220 9.417 ( 1.248 -1.195 2.315) 2.889 9.509 ( 0.737 -8.681 1.187) 8.793 9.586 ( -4.191 1.240 1.315) 4.564 9.627 ( -2.999 -3.016 1.251) 4.434 9.704 ( 0.164 2.480 3.935) 4.654 9.763 ( 1.028 -1.956 4.823) 5.305 9.813 ( -0.583 2.642 1.792) 3.245 9.878 ( 0.540 -2.568 2.841) 3.868 9.933 ( -1.775 3.874 3.279) 5.377 9.980 ( -1.542 -0.834 0.939) 1.989 10.045 ( -1.523 1.472 -1.033) 2.356 10.084 ( 0.244 -1.273 3.183) 3.437 10.199 ( 1.339 2.802 -1.775) 3.577 10.244 ( -2.796 -0.989 1.794) 3.466 10.293 ( -0.358 4.212 2.111) 4.725 10.345 ( -0.561 -0.696 0.910) 1.275 10.395 ( -1.915 1.837 -0.623) 2.726 10.429 ( -0.164 -2.058 0.905) 2.254 10.501 ( -2.396 7.501 2.640) 8.305 10.545 ( -0.995 4.294 1.951) 4.820 10.657 ( -3.136 -2.280 0.985) 4.000 10.727 ( 0.994 -5.910 -0.611) 6.024 10.774 ( -1.966 0.776 -1.720) 2.725 10.805 ( -3.381 -2.604 -2.106) 4.759 11.097 ( 0.079 3.251 -6.051) 6.870 11.171 ( 3.580 -3.579 -8.933) 10.268 11.302 ( -0.610 3.328 -6.679) 7.488 11.357 ( -4.626 -1.801 -5.569) 7.461 11.580 ( 1.346 0.606 -0.657) 1.616 11.614 ( 1.010 -2.168 -0.742) 2.504 11.775 ( -0.964 -0.101 -4.863) 4.959 11.813 ( 0.861 -1.796 -6.186) 6.499 11.893 ( 3.313 0.652 -1.290) 3.614 11.933 ( 4.213 -1.698 -4.588) 6.456 12.103 ( 2.326 -1.070 -4.095) 4.829 12.162 ( 2.722 -5.509 -2.181) 6.521 12.470 ( 2.232 8.554 -0.553) 8.858 12.611 ( 1.249 -5.343 -2.010) 5.844 12.855 ( 1.022 5.511 1.044) 5.701 12.895 ( -1.046 0.081 0.948) 1.414 12.946 ( -1.852 1.588 -0.628) 2.519 13.017 ( -2.631 -3.374 -1.589) 4.564 13.103 ( 0.193 6.458 -2.830) 7.054 13.197 ( 0.647 0.587 -1.629) 1.849 13.389 ( 2.967 1.649 2.311) 4.106 13.463 ( -0.441 -4.787 1.526) 5.044 13.584 ( 0.545 2.924 3.749) 4.785 13.674 ( 1.305 -5.268 4.491) 7.045 13.749 ( -0.785 1.510 0.881) 1.916 13.806 ( -1.226 -3.755 0.353) 3.965 14.032 ( 0.199 3.466 -3.067) 4.633 14.090 ( 0.296 -0.994 -3.442) 3.595 14.223 ( -1.854 3.254 4.098) 5.552 14.288 ( -0.134 0.086 -1.899) 1.906 14.311 ( 0.956 -0.178 -4.085) 4.199 14.374 ( 1.146 -4.686 -1.578) 5.076 14.644 ( 0.084 4.357 -1.257) 4.535 14.749 ( -0.303 -4.995 -0.494) 5.029 14.809 ( -1.006 5.054 0.616) 5.190 14.941 ( -0.315 -6.183 1.903) 6.477 15.087 ( -1.536 5.132 1.669) 5.611 15.180 ( -2.029 -4.072 0.729) 4.607 15.311 ( -0.110 3.177 2.309) 3.929 15.372 ( 1.365 -2.766 1.506) 3.432 15.412 ( -0.856 0.740 2.486) 2.731 15.464 ( -1.170 -3.623 2.220) 4.407 15.661 ( -1.187 0.983 1.904) 2.449 15.694 ( -2.211 -2.043 2.458) 3.887 15.825 ( 1.207 7.621 -1.738) 7.909 15.950 ( 1.914 -3.152 -1.310) 3.913 16.028 ( 0.968 8.735 -1.406) 8.900 16.217 ( 1.897 -7.805 -4.439) 9.178 ======================= Grid point 74 (48/50) ======================= q-point: (-0.43 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 0.480 3.324 -2.698) 4.308 0.951 ( -1.208 -4.676 -2.658) 5.513 1.313 ( -6.043 4.320 -1.914) 7.671 1.381 ( -3.747 1.167 1.736) 4.291 1.549 ( -2.941 0.592 -2.100) 3.662 1.577 ( -1.337 2.637 -2.221) 3.698 1.652 ( -1.179 -6.087 -1.858) 6.473 1.707 ( 1.080 -4.579 -5.034) 6.891 1.867 ( 0.867 -0.408 -4.631) 4.729 1.901 ( 0.339 -3.909 -3.912) 5.541 2.102 ( -1.634 5.524 1.701) 6.006 2.137 ( -2.555 3.616 -2.360) 5.017 2.233 ( -1.052 2.999 -0.451) 3.210 2.282 ( -3.695 -3.133 -0.532) 4.873 2.333 ( -2.777 1.789 -0.488) 3.339 2.415 ( -0.756 1.655 -2.578) 3.156 2.438 ( -0.805 -3.652 -2.858) 4.707 2.459 ( -2.019 -4.366 0.652) 4.854 2.602 ( 0.950 2.485 -1.952) 3.299 2.686 ( -2.980 -4.042 -0.174) 5.025 2.741 ( 0.666 2.859 -0.526) 2.983 2.812 ( -0.445 -2.127 -0.421) 2.214 2.969 ( 2.357 1.066 -3.058) 4.005 2.994 ( 2.942 -0.576 -3.209) 4.392 3.015 ( 2.205 2.411 3.573) 4.842 3.056 ( -0.335 0.621 3.873) 3.936 3.120 ( 0.977 -0.202 1.956) 2.196 3.182 ( 1.999 1.918 -3.691) 4.615 3.222 ( -3.033 3.241 2.159) 4.936 3.269 ( 2.142 -1.650 -3.630) 4.526 3.288 ( -0.575 -0.430 -3.725) 3.794 3.346 ( 0.363 -1.877 -0.623) 2.011 3.451 ( 1.238 1.250 -1.471) 2.293 3.491 ( 0.695 -2.384 -4.124) 4.814 3.563 ( 1.051 0.165 -4.057) 4.194 3.622 ( 3.381 -5.281 -5.253) 8.180 3.670 ( -1.977 4.867 -0.360) 5.266 3.744 ( -2.622 0.618 -0.344) 2.716 3.817 ( -2.752 0.747 2.791) 3.990 3.849 ( -3.865 -0.701 1.558) 4.226 3.892 ( -3.725 2.565 3.058) 5.459 3.940 ( -0.891 1.063 0.889) 1.647 3.962 ( -0.966 2.818 2.055) 3.619 4.016 ( 2.742 -0.912 2.172) 3.615 4.049 ( 0.373 -0.365 -0.457) 0.694 4.089 ( -0.502 -1.582 -3.032) 3.456 4.155 ( -1.712 1.808 3.600) 4.378 4.191 ( -2.246 -1.463 -1.152) 2.917 4.236 ( -1.398 -0.715 -1.131) 1.935 4.278 ( 1.126 -2.974 3.858) 4.999 4.324 ( 0.293 -2.941 0.886) 3.085 4.366 ( 0.190 -3.457 -2.986) 4.572 4.533 ( 0.345 2.668 -2.273) 3.522 4.562 ( -0.045 0.383 -2.653) 2.681 4.637 ( -0.436 3.202 1.537) 3.578 4.678 ( -0.983 -0.437 0.465) 1.172 4.783 ( -0.405 6.172 -1.450) 6.353 4.836 ( 1.045 4.264 1.559) 4.659 4.906 ( 0.606 -3.046 -2.939) 4.276 4.962 ( 3.020 -2.743 -0.011) 4.080 4.999 ( 0.473 -0.474 1.386) 1.540 5.064 ( 1.226 -4.081 0.902) 4.355 5.211 ( 0.333 0.520 1.403) 1.533 5.246 ( 1.383 -1.297 -1.100) 2.192 5.282 ( 1.365 0.976 0.995) 1.951 5.325 ( 1.082 -3.118 4.071) 5.240 5.382 ( -1.788 -0.142 -4.039) 4.419 5.431 ( -0.818 -3.317 -1.836) 3.878 5.509 ( -0.427 2.451 4.917) 5.511 5.563 ( -2.589 -0.698 4.518) 5.253 5.631 ( -0.221 3.402 0.700) 3.480 5.668 ( -0.352 -0.437 -1.545) 1.644 5.707 ( -1.941 1.151 -1.348) 2.629 5.749 ( 1.370 -1.846 -2.112) 3.122 5.795 ( 2.461 1.653 0.948) 3.113 5.853 ( 0.349 -3.699 0.735) 3.788 5.972 ( 0.340 2.723 0.715) 2.836 5.997 ( 0.048 1.576 -0.980) 1.856 6.073 ( 2.682 0.671 0.755) 2.866 6.115 ( 0.357 0.273 -1.233) 1.312 6.135 ( 1.325 -0.162 -1.820) 2.257 6.186 ( 0.132 -1.328 4.363) 4.562 6.252 ( -1.759 -0.766 0.551) 1.996 6.265 ( 0.610 -1.649 1.798) 2.514 6.394 ( 0.800 1.596 -0.659) 1.903 6.428 ( -2.022 -0.150 -1.185) 2.348 6.441 ( -0.352 -0.012 -0.029) 0.354 6.489 ( -0.484 -2.193 -1.163) 2.529 6.562 ( 1.620 3.863 3.083) 5.201 6.599 ( 2.048 2.134 2.256) 3.720 6.654 ( -0.035 0.596 -2.353) 2.427 6.684 ( -0.918 -0.997 0.386) 1.410 6.784 ( -0.689 1.471 3.776) 4.111 6.805 ( -2.228 -0.346 1.771) 2.867 6.841 ( -0.587 5.145 0.893) 5.255 6.893 ( 0.708 2.275 -1.096) 2.623 6.905 ( 0.821 0.982 -1.343) 1.856 6.959 ( -0.369 -1.837 -1.643) 2.492 7.037 ( 0.715 2.101 1.874) 2.904 7.099 ( 1.350 -1.291 -1.324) 2.290 7.122 ( -0.671 -0.903 0.007) 1.125 7.144 ( -0.561 -3.272 -1.194) 3.528 7.250 ( -5.411 -0.727 2.491) 6.001 7.275 ( -5.349 -3.096 4.488) 7.638 7.335 ( -2.242 1.197 3.415) 4.257 7.353 ( -2.238 -0.897 0.697) 2.509 7.409 ( -1.661 0.982 0.495) 1.992 7.470 ( 2.952 -4.278 -1.712) 5.472 7.577 ( -0.578 -0.493 -1.464) 1.649 7.597 ( -1.482 -2.557 -0.880) 3.084 7.614 ( 1.428 2.703 0.490) 3.096 7.670 ( 0.499 -0.835 0.861) 1.299 7.734 ( -0.089 2.532 1.032) 2.736 7.769 ( 1.786 -0.187 -1.875) 2.596 7.865 ( -0.029 2.057 -0.035) 2.057 7.909 ( -1.105 -1.032 1.757) 2.318 7.918 ( -0.875 -0.467 -2.145) 2.363 7.950 ( 2.119 -1.999 -3.559) 4.599 8.098 ( -0.038 2.840 1.566) 3.243 8.142 ( -0.372 -0.784 2.129) 2.299 8.202 ( -1.273 2.630 1.183) 3.153 8.227 ( -0.271 0.274 -1.131) 1.195 8.287 ( 0.805 -2.496 0.517) 2.673 8.328 ( -1.229 -2.158 -0.815) 2.614 8.377 ( 0.975 1.818 0.750) 2.195 8.424 ( 1.393 0.456 1.257) 1.931 8.512 ( 0.068 0.146 -0.156) 0.224 8.537 ( 1.271 -2.309 0.314) 2.654 8.587 ( -1.037 -0.084 2.078) 2.323 8.621 ( -0.931 -3.976 0.627) 4.131 8.710 ( -4.450 2.404 2.299) 5.556 8.744 ( -3.130 -0.492 0.283) 3.182 8.832 ( 3.693 1.945 1.078) 4.310 8.849 ( 3.881 0.437 -0.875) 4.002 8.940 ( -0.583 2.503 1.519) 2.986 8.974 ( -0.139 0.177 1.494) 1.510 9.005 ( 1.016 2.165 -0.368) 2.419 9.046 ( 1.668 -1.753 -0.675) 2.512 9.136 ( 1.062 2.200 -0.917) 2.610 9.164 ( 1.544 -0.748 -0.706) 1.856 9.229 ( -1.158 4.257 0.068) 4.412 9.277 ( 2.580 -0.706 0.940) 2.835 9.365 ( -0.870 -3.997 1.165) 4.254 9.387 ( -0.153 -6.089 -0.616) 6.122 9.459 ( -3.431 0.038 -0.582) 3.480 9.489 ( -1.139 -2.549 3.897) 4.794 9.527 ( -0.455 0.089 4.339) 4.364 9.595 ( 0.087 -4.212 1.894) 4.619 9.729 ( 0.704 1.615 3.051) 3.523 9.777 ( -0.431 -1.420 2.388) 2.811 9.824 ( -0.608 2.603 1.602) 3.116 9.883 ( -3.241 -2.225 2.229) 4.519 9.944 ( -0.384 4.377 4.736) 6.460 9.998 ( -0.524 1.082 1.448) 1.882 10.037 ( 0.743 -0.805 0.855) 1.390 10.075 ( -0.682 -2.206 2.275) 3.242 10.198 ( 0.289 2.619 -0.503) 2.683 10.236 ( 3.330 -0.142 1.175) 3.534 10.281 ( 0.043 3.685 0.494) 3.719 10.335 ( 0.637 -1.705 -0.081) 1.822 10.376 ( 0.299 6.062 2.311) 6.495 10.447 ( 1.509 -1.190 0.637) 2.024 10.480 ( -0.512 4.388 2.019) 4.857 10.556 ( -0.214 4.556 2.442) 5.174 10.615 ( -2.492 -3.486 5.355) 6.858 10.691 ( -2.373 -4.324 5.813) 7.624 10.775 ( 0.350 0.197 -2.658) 2.688 10.816 ( 3.588 -3.523 -3.943) 6.389 11.059 ( -0.435 4.844 -3.631) 6.070 11.164 ( 0.864 -4.787 -6.728) 8.302 11.308 ( 4.124 2.389 -6.708) 8.229 11.355 ( 6.240 -1.717 -5.539) 8.518 11.604 ( 1.610 1.076 -1.070) 2.213 11.648 ( 3.076 -3.138 -3.767) 5.788 11.740 ( 0.754 2.975 -3.547) 4.690 11.811 ( 1.885 -2.221 -5.985) 6.656 11.941 ( 2.558 0.728 -4.935) 5.606 11.963 ( 2.617 -0.638 -9.295) 9.678 12.104 ( 0.081 -1.329 -4.120) 4.330 12.184 ( 1.022 -7.382 -4.876) 8.906 12.495 ( -0.176 8.093 -2.511) 8.475 12.605 ( 0.100 -3.037 -2.183) 3.741 12.860 ( -1.310 3.520 0.562) 3.798 12.885 ( -0.690 -1.102 3.033) 3.300 12.918 ( -0.681 1.986 0.729) 2.223 12.983 ( -0.393 -2.668 0.987) 2.872 13.108 ( 1.580 7.084 -1.426) 7.396 13.204 ( 1.231 1.118 -2.768) 3.229 13.421 ( -1.657 0.608 -0.755) 1.920 13.454 ( -0.181 -3.717 2.734) 4.618 13.600 ( -0.919 2.770 2.852) 4.080 13.680 ( -2.389 -4.768 2.356) 5.831 13.745 ( -1.101 0.687 2.636) 2.938 13.802 ( 1.134 -4.534 1.499) 4.909 14.025 ( 0.545 3.486 -2.352) 4.241 14.078 ( -0.012 -1.281 -3.179) 3.427 14.207 ( -2.022 2.211 4.557) 5.454 14.253 ( -2.537 -1.582 1.819) 3.499 14.320 ( 1.488 2.455 -4.727) 5.531 14.387 ( 1.072 -3.612 -2.345) 4.438 14.629 ( -1.171 3.759 0.001) 3.938 14.734 ( -1.101 -5.438 0.868) 5.616 14.798 ( -0.729 5.981 1.650) 6.247 14.938 ( -1.092 -6.069 2.217) 6.553 15.088 ( 0.538 4.347 1.379) 4.592 15.170 ( 0.465 -3.264 1.759) 3.736 15.314 ( -0.615 2.800 1.912) 3.446 15.363 ( -2.477 -1.975 1.750) 3.620 15.414 ( -0.774 0.114 2.508) 2.627 15.467 ( 0.189 -3.611 2.189) 4.227 15.647 ( -1.527 1.152 2.598) 3.226 15.678 ( -0.975 -1.416 3.425) 3.833 15.852 ( 2.931 6.924 -3.127) 8.143 15.969 ( 0.875 -1.465 -2.515) 3.040 16.057 ( 3.371 6.389 -4.206) 8.358 16.228 ( 2.024 -7.405 -5.611) 9.509 ======================= Grid point 75 (49/50) ======================= q-point: (-0.29 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 0.137 -0.060 5.186) 5.188 0.948 ( -1.155 -3.552 3.880) 5.386 1.200 ( -3.781 10.125 6.233) 12.477 1.288 ( -5.639 4.233 -5.006) 8.647 1.464 ( -4.726 -5.687 -1.979) 7.654 1.503 ( -5.913 -7.822 6.514) 11.772 1.620 ( -1.168 -1.740 -0.035) 2.096 1.678 ( -0.646 -3.890 -3.308) 5.147 1.856 ( -0.016 0.547 -2.889) 2.941 1.880 ( 0.504 -0.998 -3.319) 3.502 2.002 ( -6.848 4.694 1.788) 8.493 2.089 ( -0.685 4.084 -3.581) 5.475 2.150 ( -5.176 -3.873 -2.537) 6.945 2.228 ( -3.740 -0.735 -0.716) 3.879 2.304 ( 0.836 4.076 -5.924) 7.239 2.364 ( -1.453 4.483 0.976) 4.812 2.416 ( 0.522 -3.995 -4.786) 6.257 2.456 ( 0.531 -1.516 1.407) 2.135 2.573 ( -2.279 3.298 -5.282) 6.631 2.624 ( -3.965 -3.244 2.148) 5.555 2.760 ( 0.718 -1.733 1.762) 2.574 2.795 ( -1.628 -3.297 -1.032) 3.820 2.924 ( -4.460 3.304 -4.116) 6.910 2.984 ( -1.173 -2.012 -9.550) 9.830 3.022 ( -3.123 4.698 1.558) 5.853 3.062 ( 1.304 1.661 -0.720) 2.231 3.109 ( -3.127 4.187 -3.554) 6.320 3.171 ( -0.306 0.269 -2.226) 2.263 3.208 ( -1.237 -0.245 6.264) 6.390 3.254 ( -1.107 -0.207 -1.406) 1.801 3.320 ( 2.851 0.847 -1.933) 3.547 3.350 ( -0.627 -1.031 0.071) 1.209 3.436 ( -3.292 -1.637 1.949) 4.162 3.481 ( 0.187 -2.822 -2.015) 3.473 3.532 ( -5.871 4.532 0.017) 7.417 3.574 ( 1.334 -0.458 -4.974) 5.170 3.639 ( -2.789 -1.061 -6.184) 6.866 3.697 ( 0.030 -2.186 -3.476) 4.106 3.757 ( -4.825 -0.959 0.780) 4.981 3.801 ( -2.488 -3.031 2.973) 4.921 3.819 ( -2.791 1.966 2.075) 3.995 3.885 ( -2.628 0.070 -2.411) 3.567 3.930 ( -2.813 1.521 0.359) 3.218 4.018 ( -1.519 -2.145 -3.665) 4.510 4.045 ( -1.001 2.771 -0.871) 3.072 4.090 ( 0.531 1.763 -2.293) 2.941 4.122 ( -1.329 1.385 1.258) 2.295 4.172 ( 0.009 -1.399 -0.522) 1.493 4.204 ( -1.474 0.787 0.827) 1.865 4.314 ( 0.151 -4.569 3.344) 5.663 4.362 ( 1.928 -1.764 2.054) 3.324 4.394 ( 1.411 -2.362 0.565) 2.808 4.523 ( -1.522 0.987 1.095) 2.119 4.552 ( 0.317 0.471 -1.198) 1.326 4.646 ( 1.040 3.180 -0.492) 3.382 4.689 ( 1.984 -0.593 1.479) 2.545 4.769 ( 0.344 3.427 3.790) 5.121 4.867 ( 0.742 5.355 -2.623) 6.008 4.885 ( -1.008 -5.568 1.408) 5.831 4.991 ( 0.803 -4.343 -1.766) 4.756 5.008 ( 0.337 2.716 -3.955) 4.810 5.072 ( 0.439 -4.089 -3.456) 5.372 5.208 ( -0.869 0.388 -2.128) 2.331 5.249 ( -0.488 -1.595 -1.131) 2.016 5.309 ( -1.835 2.159 -0.427) 2.866 5.344 ( 1.962 1.724 -1.093) 2.832 5.398 ( 2.875 -2.027 2.137) 4.116 5.410 ( 1.709 -4.285 0.036) 4.614 5.514 ( -1.470 1.898 3.629) 4.351 5.555 ( -1.131 -0.251 3.081) 3.292 5.616 ( -0.527 4.441 -0.393) 4.489 5.642 ( -0.962 1.069 -0.862) 1.676 5.703 ( 1.618 -0.017 0.669) 1.751 5.778 ( 1.567 -3.959 -0.258) 4.266 5.871 ( 3.909 0.805 3.218) 5.127 5.896 ( 3.421 0.149 3.144) 4.649 5.988 ( -0.579 2.322 1.138) 2.650 5.997 ( 0.688 -0.064 2.338) 2.438 6.092 ( -1.526 1.607 -0.887) 2.387 6.130 ( -0.405 -0.875 -1.742) 1.991 6.168 ( 2.275 2.436 -1.240) 3.556 6.205 ( 1.266 2.583 1.779) 3.382 6.253 ( 4.588 -2.926 -0.062) 5.442 6.271 ( 0.107 -2.814 -0.675) 2.895 6.377 ( -0.139 1.500 -0.053) 1.507 6.396 ( 0.437 -0.772 -1.228) 1.514 6.457 ( 1.223 0.763 -0.022) 1.442 6.500 ( 1.008 -2.032 -0.554) 2.335 6.588 ( -2.864 -0.112 -2.147) 3.581 6.602 ( -0.198 0.067 0.174) 0.272 6.654 ( -0.250 1.349 2.954) 3.257 6.690 ( 0.827 -1.047 3.047) 3.326 6.782 ( -1.590 1.180 3.260) 3.814 6.793 ( -0.917 -0.205 1.909) 2.128 6.848 ( -1.241 5.724 1.027) 5.946 6.884 ( 1.067 3.652 2.048) 4.321 6.928 ( -0.434 1.890 1.445) 2.419 6.980 ( 1.098 -0.658 3.197) 3.444 7.037 ( -1.109 1.793 0.424) 2.150 7.078 ( -1.763 0.302 -0.816) 1.965 7.113 ( -2.107 -2.907 -1.880) 4.053 7.134 ( -0.596 -2.010 0.243) 2.110 7.203 ( 0.293 -1.268 6.843) 6.966 7.222 ( -0.877 -0.622 3.702) 3.855 7.272 ( -3.628 1.259 2.394) 4.525 7.355 ( -0.952 -3.422 3.893) 5.269 7.385 ( -1.188 0.328 3.899) 4.090 7.475 ( -2.267 -6.037 0.310) 6.457 7.545 ( -0.561 0.572 -3.310) 3.405 7.568 ( -0.653 -1.086 -0.341) 1.312 7.617 ( -1.800 1.160 -1.340) 2.526 7.653 ( -2.604 -1.283 0.763) 3.002 7.725 ( -2.083 1.087 -1.074) 2.584 7.760 ( -2.370 -1.240 -3.122) 4.111 7.858 ( -0.720 1.332 -1.231) 1.951 7.875 ( -0.280 -0.093 2.405) 2.423 7.925 ( 1.939 2.786 -0.504) 3.432 7.975 ( 1.780 -1.495 -3.129) 3.899 8.085 ( -1.154 1.382 -2.402) 3.002 8.125 ( -1.729 -1.674 -0.567) 2.473 8.196 ( 1.329 1.777 0.593) 2.297 8.242 ( 2.320 -1.860 0.316) 2.990 8.301 ( 0.598 -0.681 0.193) 0.927 8.326 ( 0.887 -0.665 0.625) 1.272 8.404 ( 1.249 4.625 1.020) 4.898 8.467 ( 0.237 0.409 2.143) 2.194 8.521 ( 0.476 -0.482 0.557) 0.877 8.537 ( -0.755 -0.016 1.856) 2.003 8.586 ( -0.367 -0.475 -0.023) 0.600 8.633 ( 1.301 -3.657 2.927) 4.861 8.665 ( -0.698 1.190 1.841) 2.300 8.713 ( -0.131 -3.343 1.177) 3.546 8.865 ( -0.762 0.629 -1.560) 1.847 8.882 ( 0.117 -0.345 -3.237) 3.257 8.934 ( 0.750 2.466 -0.927) 2.739 8.976 ( -0.984 -1.388 0.209) 1.714 9.031 ( 1.895 1.117 -0.758) 2.327 9.046 ( -0.604 -0.901 -1.884) 2.174 9.124 ( -2.067 4.069 0.026) 4.564 9.192 ( 0.078 -1.662 -0.348) 1.700 9.225 ( 2.116 3.260 -1.869) 4.313 9.289 ( -2.243 1.594 -3.339) 4.327 9.340 ( 1.508 -3.927 0.942) 4.311 9.381 ( -1.738 -4.503 -0.778) 4.889 9.409 ( 0.140 -1.034 1.809) 2.088 9.451 ( -2.812 -5.573 2.510) 6.728 9.543 ( -3.080 3.230 6.299) 7.720 9.616 ( -1.999 -3.774 5.474) 6.943 9.763 ( 1.971 1.798 0.656) 2.747 9.790 ( 0.493 0.053 -1.453) 1.536 9.819 ( -0.995 1.185 3.197) 3.552 9.857 ( 2.076 -2.010 1.606) 3.306 9.940 ( -2.745 2.939 4.151) 5.780 9.978 ( 0.029 0.440 2.942) 2.975 10.033 ( 1.377 2.399 2.362) 3.637 10.088 ( -1.670 -1.386 1.775) 2.804 10.231 ( 2.583 6.229 -4.121) 7.903 10.294 ( -0.244 -0.243 1.706) 1.740 10.342 ( 3.029 3.026 3.383) 5.456 10.368 ( 3.893 1.039 -0.290) 4.040 10.422 ( 2.306 2.192 1.235) 3.413 10.487 ( 0.979 0.578 -0.878) 1.436 10.514 ( 3.511 0.058 -2.034) 4.058 10.551 ( -0.297 -0.217 2.570) 2.596 10.640 ( 3.328 -0.248 2.578) 4.217 10.706 ( 0.208 -4.020 3.451) 5.302 10.787 ( 3.358 2.346 0.992) 4.215 10.850 ( 1.745 -3.962 -1.076) 4.461 11.081 ( 5.081 4.122 -3.139) 7.257 11.190 ( 5.714 -5.810 -4.020) 9.087 11.394 ( 6.367 3.868 -2.953) 8.014 11.463 ( 6.194 -2.717 -1.968) 7.044 11.608 ( 0.090 2.949 -4.636) 5.495 11.680 ( 1.643 -2.050 -5.375) 5.983 11.742 ( -0.885 0.456 -1.758) 2.021 11.806 ( 1.014 -3.649 -5.293) 6.508 11.929 ( 1.152 -0.157 -10.330) 10.395 11.960 ( 1.623 -1.734 -8.006) 8.351 12.063 ( -1.575 0.862 -4.747) 5.075 12.145 ( -2.338 -5.025 -4.794) 7.328 12.445 ( -2.163 9.749 -2.866) 10.389 12.604 ( 0.344 -5.958 -2.488) 6.466 12.825 ( -1.686 5.340 -0.044) 5.600 12.891 ( -0.201 -1.833 1.784) 2.566 12.940 ( 1.320 1.809 2.973) 3.722 12.997 ( 0.443 -2.574 3.286) 4.198 13.148 ( 2.897 5.863 -0.697) 6.577 13.215 ( 1.316 2.106 -2.562) 3.568 13.365 ( -2.921 0.031 -1.568) 3.315 13.441 ( -2.339 -5.633 0.922) 6.169 13.586 ( -1.182 0.556 0.672) 1.469 13.626 ( -3.901 -2.550 1.213) 4.815 13.748 ( 0.148 3.305 2.419) 4.098 13.837 ( 1.022 -4.972 1.133) 5.201 14.023 ( -0.051 2.539 -0.971) 2.718 14.049 ( -1.525 0.453 -1.640) 2.285 14.199 ( -1.019 0.771 3.983) 4.183 14.225 ( -1.679 -1.522 3.647) 4.294 14.324 ( 1.794 2.814 -4.533) 5.629 14.396 ( 1.163 -3.721 -1.400) 4.142 14.602 ( -1.823 4.659 1.216) 5.149 14.716 ( -1.739 -5.431 2.106) 6.079 14.799 ( -0.405 4.987 2.804) 5.736 14.920 ( -1.713 -4.766 2.039) 5.459 15.121 ( 1.336 1.800 2.655) 3.475 15.202 ( 1.362 -4.706 2.450) 5.478 15.310 ( -2.107 1.191 1.025) 2.628 15.321 ( -1.046 -0.319 2.689) 2.902 15.409 ( -0.685 2.724 2.926) 4.056 15.491 ( 0.546 -3.069 3.367) 4.589 15.636 ( -1.379 1.382 4.249) 4.676 15.672 ( -1.695 -1.739 3.389) 4.169 15.896 ( 2.769 5.397 -3.535) 7.021 15.973 ( 1.661 0.784 -2.859) 3.398 16.098 ( 4.207 3.980 -9.808) 11.390 16.234 ( 1.947 -6.420 -7.727) 10.233 ======================= Grid point 76 (50/50) ======================= q-point: (-0.14 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -8.945 0.722 7.727) 11.843 0.919 ( -0.976 -5.542 4.174) 7.006 1.148 ( -2.699 6.917 -9.350) 11.939 1.306 ( 7.799 8.521 4.114) 12.262 1.342 ( -5.525 -7.949 3.228) 10.204 1.512 ( 0.917 -5.460 5.273) 7.646 1.617 ( 1.313 -2.089 3.768) 4.504 1.657 ( -0.237 -3.202 -0.535) 3.255 1.849 ( 0.661 2.942 -2.164) 3.712 1.899 ( 3.481 -0.454 -5.767) 6.751 1.937 ( -1.959 2.317 5.437) 6.226 2.036 ( -2.734 -0.994 -0.616) 2.974 2.099 ( 0.299 -0.403 -4.075) 4.106 2.154 ( -2.913 -1.049 -1.935) 3.651 2.249 ( -1.971 5.598 -7.019) 9.192 2.334 ( -2.294 1.129 -1.694) 3.067 2.419 ( 0.561 -2.199 -4.620) 5.147 2.445 ( -0.767 -0.472 -3.223) 3.346 2.543 ( 2.774 0.558 -3.041) 4.153 2.567 ( -2.824 -2.671 0.012) 3.887 2.711 ( -3.705 1.194 -3.745) 5.402 2.771 ( -1.565 -3.280 0.575) 3.679 2.791 ( -6.288 4.598 -1.328) 7.902 2.895 ( -2.470 -2.627 -8.035) 8.807 2.977 ( -2.237 6.435 3.193) 7.524 3.054 ( -0.130 -0.375 -2.181) 2.217 3.090 ( 0.179 0.385 -0.749) 0.861 3.103 ( -2.260 -0.118 -3.348) 4.041 3.183 ( -1.850 1.617 0.159) 2.462 3.238 ( -2.044 -0.072 1.651) 2.629 3.311 ( -0.900 2.626 -0.136) 2.779 3.356 ( -2.918 3.751 3.270) 5.769 3.370 ( -0.797 -1.328 -1.241) 1.985 3.444 ( -2.006 -0.635 1.691) 2.699 3.508 ( -0.416 -0.584 3.074) 3.157 3.539 ( -2.540 -2.232 -3.178) 4.640 3.573 ( -1.612 0.170 -6.010) 6.225 3.637 ( -1.946 0.110 -3.214) 3.759 3.699 ( -0.175 -1.651 -0.791) 1.839 3.763 ( -2.829 -4.349 4.616) 6.944 3.796 ( -2.640 -4.308 3.362) 6.068 3.832 ( -2.978 -2.723 0.652) 4.088 3.911 ( 0.785 5.955 -3.277) 6.842 3.981 ( -0.576 2.190 -1.881) 2.944 4.011 ( -0.538 2.835 -1.181) 3.117 4.062 ( -1.710 -1.516 -1.736) 2.870 4.107 ( -0.176 2.641 -3.904) 4.716 4.157 ( -1.492 -2.178 -1.820) 3.207 4.203 ( 0.982 0.972 0.319) 1.418 4.323 ( 0.098 -2.546 0.477) 2.592 4.365 ( -2.240 -1.960 -0.091) 2.978 4.388 ( -0.746 2.421 -0.183) 2.540 4.512 ( -0.665 -2.363 0.922) 2.622 4.555 ( 0.772 -3.242 0.046) 3.333 4.675 ( 2.175 4.021 -1.612) 4.848 4.743 ( 2.087 -0.208 0.057) 2.098 4.805 ( -0.340 1.300 2.320) 2.681 4.859 ( 0.037 -0.054 1.329) 1.331 4.884 ( -0.788 -0.201 1.246) 1.488 4.961 ( -2.021 -2.724 -2.479) 4.201 5.004 ( 1.438 1.189 -3.023) 3.553 5.065 ( 1.478 -4.492 -2.447) 5.324 5.174 ( -1.564 1.858 -2.157) 3.248 5.209 ( -1.618 0.211 -4.215) 4.520 5.272 ( -1.242 1.945 1.292) 2.645 5.364 ( -0.440 -3.808 0.983) 3.957 5.434 ( 1.925 0.658 -1.263) 2.395 5.481 ( 1.287 -0.293 1.548) 2.034 5.515 ( 1.690 -1.099 1.168) 2.330 5.552 ( 0.143 -1.028 -0.411) 1.116 5.614 ( 0.024 4.043 2.275) 4.639 5.652 ( 1.135 0.878 0.683) 1.590 5.744 ( 1.233 0.871 2.303) 2.754 5.790 ( 0.401 -1.830 -1.379) 2.327 5.928 ( -0.209 3.199 1.098) 3.389 5.948 ( -0.257 0.610 1.210) 1.379 5.994 ( 0.179 2.514 1.321) 2.845 6.037 ( 0.769 0.536 4.400) 4.498 6.102 ( 2.881 -1.170 3.033) 4.343 6.126 ( 2.712 -2.579 -0.967) 3.865 6.167 ( 1.259 4.070 -0.235) 4.267 6.265 ( 1.328 0.687 -0.135) 1.501 6.274 ( 0.415 1.095 0.052) 1.172 6.349 ( 3.816 -0.766 -1.149) 4.059 6.387 ( -2.741 -2.271 0.959) 3.686 6.403 ( 1.495 -0.211 -0.725) 1.675 6.455 ( -0.855 -0.193 -1.266) 1.540 6.486 ( -0.641 -1.314 -0.160) 1.471 6.560 ( 0.766 0.837 -0.346) 1.186 6.629 ( 2.870 -4.600 2.385) 5.923 6.664 ( -1.165 2.757 3.715) 4.771 6.696 ( -0.481 1.191 1.798) 2.210 6.768 ( -1.347 -0.167 2.918) 3.218 6.792 ( -0.483 -1.348 3.730) 3.995 6.828 ( 0.468 3.466 0.154) 3.500 6.879 ( -2.056 -0.319 1.334) 2.471 6.930 ( 0.400 2.488 -0.064) 2.520 6.991 ( -1.514 0.596 2.388) 2.890 7.030 ( -0.318 3.860 1.125) 4.033 7.063 ( 0.571 2.013 1.312) 2.470 7.099 ( 1.680 -1.153 1.909) 2.792 7.141 ( 0.427 -1.657 2.317) 2.880 7.195 ( -1.986 5.757 3.036) 6.805 7.230 ( -1.418 2.281 1.418) 3.037 7.284 ( -0.680 -1.860 2.342) 3.067 7.331 ( -0.843 -3.275 4.379) 5.533 7.405 ( -1.528 -2.793 -1.099) 3.368 7.428 ( -1.336 -4.179 5.890) 7.344 7.501 ( -3.791 0.997 -1.141) 4.083 7.544 ( -2.429 -4.226 -1.102) 4.997 7.586 ( -0.591 -2.521 0.214) 2.598 7.604 ( 0.431 -3.697 -2.611) 4.546 7.671 ( -1.701 0.250 -0.254) 1.738 7.697 ( -0.985 -1.101 -1.226) 1.920 7.857 ( -0.121 1.385 -1.423) 1.989 7.870 ( -1.816 0.331 0.289) 1.869 7.929 ( -2.562 4.645 -0.021) 5.305 7.990 ( 0.751 -1.689 -3.277) 3.763 8.046 ( 0.498 2.250 -3.231) 3.968 8.111 ( -0.399 -2.813 2.623) 3.867 8.240 ( 2.476 0.442 -0.159) 2.520 8.268 ( 0.441 -1.291 -0.983) 1.682 8.332 ( 2.163 1.846 -2.506) 3.790 8.360 ( 1.358 -1.674 0.874) 2.326 8.411 ( -0.794 4.862 0.640) 4.968 8.451 ( -0.304 -1.709 2.205) 2.806 8.550 ( 1.899 -0.336 1.595) 2.502 8.564 ( 1.102 0.141 0.913) 1.438 8.583 ( -0.026 -0.019 1.303) 1.303 8.668 ( 1.353 -3.302 0.252) 3.578 8.688 ( 0.550 -0.193 1.025) 1.179 8.705 ( -0.704 -3.492 0.359) 3.580 8.826 ( -1.084 1.258 -1.179) 2.036 8.864 ( -0.779 -1.366 2.346) 2.824 8.933 ( -2.270 1.106 -0.243) 2.537 8.955 ( 0.535 -0.600 -1.644) 1.830 9.022 ( -0.599 2.053 -2.200) 3.068 9.063 ( 1.485 -0.141 -1.449) 2.080 9.094 ( 0.821 1.562 0.123) 1.769 9.154 ( -2.973 -3.311 1.947) 4.857 9.223 ( -2.042 1.832 -3.623) 4.545 9.260 ( -2.002 -0.734 -2.876) 3.580 9.332 ( 0.090 0.013 -1.207) 1.210 9.349 ( -2.592 -0.504 -0.782) 2.754 9.415 ( -0.861 0.912 1.935) 2.306 9.461 ( 1.604 -3.524 5.587) 6.797 9.541 ( 1.340 1.945 4.782) 5.334 9.608 ( 0.088 -4.203 5.860) 7.212 9.749 ( -3.477 3.067 1.160) 4.779 9.787 ( -1.271 -0.995 2.347) 2.849 9.843 ( -1.006 1.896 3.507) 4.112 9.893 ( -1.173 -2.236 3.412) 4.245 9.932 ( 0.313 3.410 4.262) 5.467 10.004 ( 1.571 -1.599 2.486) 3.348 10.062 ( -0.257 4.030 1.143) 4.197 10.114 ( 3.228 -0.588 3.465) 4.772 10.256 ( 1.057 7.258 -1.497) 7.486 10.297 ( 1.012 2.954 0.049) 3.123 10.383 ( 0.645 1.093 -0.538) 1.378 10.423 ( 0.082 -1.974 -2.114) 2.894 10.439 ( 0.318 1.386 -3.721) 3.984 10.468 ( -0.580 1.535 -0.329) 1.674 10.543 ( 2.310 -0.682 -5.716) 6.202 10.573 ( 3.184 -3.047 -5.135) 6.767 10.693 ( 1.432 1.326 -3.296) 3.830 10.757 ( 2.684 -2.981 -1.974) 4.470 10.869 ( 3.479 0.728 1.373) 3.810 10.912 ( 4.127 -2.980 3.508) 6.182 11.267 ( 14.414 3.929 1.100) 14.981 11.318 ( 6.321 -0.236 -0.913) 6.391 11.445 ( -4.146 1.186 -3.168) 5.351 11.500 ( 0.988 -2.986 -1.591) 3.524 11.589 ( 1.096 0.346 -0.896) 1.457 11.627 ( -2.410 -3.651 -5.237) 6.824 11.717 ( 1.493 2.870 -5.444) 6.332 11.810 ( 1.354 -5.683 -6.580) 8.800 11.916 ( 0.283 -0.809 -4.169) 4.256 11.944 ( 0.769 -3.637 -3.245) 4.934 12.014 ( -0.990 3.041 -4.053) 5.163 12.072 ( -1.934 -1.779 -3.789) 4.611 12.410 ( -0.022 10.618 -2.304) 10.865 12.587 ( -0.535 -6.408 -2.360) 6.850 12.805 ( -0.589 5.054 0.088) 5.089 12.889 ( -0.452 -1.823 -0.452) 1.931 12.978 ( 1.524 1.803 2.005) 3.098 13.029 ( 0.607 -2.834 3.396) 4.465 13.178 ( -0.374 4.196 0.372) 4.229 13.247 ( 3.547 1.973 -2.201) 4.617 13.300 ( -2.954 -0.438 -1.594) 3.385 13.398 ( -1.683 -5.883 -0.427) 6.134 13.545 ( -2.933 0.770 -0.947) 3.177 13.569 ( -2.231 -1.666 -0.019) 2.784 13.762 ( 0.131 3.306 1.074) 3.478 13.837 ( -1.003 -3.581 -0.806) 3.805 14.023 ( -0.006 1.599 1.588) 2.254 14.026 ( 0.010 1.457 0.894) 1.709 14.209 ( 0.606 -0.280 0.826) 1.063 14.221 ( -0.076 -1.331 1.219) 1.806 14.351 ( 2.700 3.676 -2.172) 5.052 14.417 ( 0.631 -1.258 0.787) 1.612 14.585 ( -0.326 2.374 1.797) 2.995 14.688 ( -2.049 -5.634 1.913) 6.292 14.808 ( -0.360 2.816 3.171) 4.256 14.903 ( -1.102 -3.911 2.290) 4.664 15.137 ( -0.891 1.052 2.404) 2.772 15.230 ( -0.974 -6.622 2.513) 7.150 15.279 ( -0.640 3.519 3.330) 4.887 15.349 ( 1.833 -2.814 2.958) 4.475 15.428 ( 0.976 3.918 3.028) 5.047 15.501 ( -2.100 -2.261 3.882) 4.959 15.631 ( -1.894 2.187 5.346) 6.078 15.664 ( -0.120 -1.004 3.102) 3.263 15.909 ( -0.086 5.798 -0.283) 5.805 16.003 ( 2.595 -2.727 -4.858) 6.146 16.108 ( 3.065 4.696 -13.629) 14.737 16.218 ( 1.049 -4.778 -10.205) 11.317 =================== 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 3/31752 10.0 78.416 100.740 68.107 0.000 23.116 0.000 3/31752 20.0 14.746 24.051 12.507 0.000 4.341 0.000 3/31752 30.0 6.281 10.582 5.623 0.000 1.727 0.000 3/31752 40.0 3.673 6.151 3.432 0.000 0.943 0.000 3/31752 50.0 2.515 4.144 2.420 0.000 0.610 0.000 3/31752 60.0 1.887 3.055 1.855 0.000 0.437 0.000 3/31752 70.0 1.502 2.392 1.500 0.000 0.335 0.000 3/31752 80.0 1.245 1.954 1.260 0.000 0.268 0.000 3/31752 90.0 1.063 1.648 1.088 0.000 0.222 0.000 3/31752 100.0 0.928 1.424 0.960 0.000 0.188 0.000 3/31752 110.0 0.824 1.253 0.861 0.000 0.162 0.000 3/31752 120.0 0.742 1.119 0.783 0.000 0.142 0.000 3/31752 130.0 0.675 1.012 0.718 0.000 0.126 0.000 3/31752 140.0 0.620 0.923 0.665 0.000 0.112 0.000 3/31752 150.0 0.573 0.850 0.620 0.000 0.101 0.000 3/31752 160.0 0.533 0.788 0.581 0.000 0.092 0.000 3/31752 170.0 0.499 0.734 0.547 0.000 0.084 0.000 3/31752 180.0 0.469 0.688 0.518 0.000 0.078 0.000 3/31752 190.0 0.442 0.647 0.491 0.000 0.072 0.000 3/31752 200.0 0.419 0.611 0.467 0.000 0.067 0.000 3/31752 210.0 0.398 0.579 0.446 0.000 0.062 0.000 3/31752 220.0 0.379 0.551 0.427 0.000 0.059 0.000 3/31752 230.0 0.361 0.525 0.409 0.000 0.055 0.000 3/31752 240.0 0.346 0.502 0.393 0.000 0.052 0.000 3/31752 250.0 0.331 0.480 0.378 0.000 0.049 0.000 3/31752 260.0 0.318 0.461 0.364 0.000 0.047 0.000 3/31752 270.0 0.306 0.443 0.351 0.000 0.044 0.000 3/31752 280.0 0.295 0.426 0.339 0.000 0.042 0.000 3/31752 290.0 0.284 0.411 0.328 0.000 0.040 0.000 3/31752 300.0 0.275 0.396 0.318 0.000 0.039 0.000 3/31752 310.0 0.266 0.383 0.308 0.000 0.037 0.000 3/31752 320.0 0.257 0.371 0.299 0.000 0.036 0.000 3/31752 330.0 0.249 0.359 0.290 0.000 0.034 0.000 3/31752 340.0 0.242 0.348 0.282 0.000 0.033 0.000 3/31752 350.0 0.235 0.338 0.274 0.000 0.032 0.000 3/31752 360.0 0.228 0.328 0.267 0.000 0.031 0.000 3/31752 370.0 0.222 0.319 0.260 0.000 0.030 0.000 3/31752 380.0 0.216 0.311 0.253 0.000 0.029 0.000 3/31752 390.0 0.211 0.303 0.247 0.000 0.028 0.000 3/31752 400.0 0.205 0.295 0.241 0.000 0.027 0.000 3/31752 410.0 0.200 0.288 0.235 0.000 0.026 0.000 3/31752 420.0 0.195 0.281 0.230 0.000 0.026 0.000 3/31752 430.0 0.191 0.274 0.225 0.000 0.025 0.000 3/31752 440.0 0.186 0.268 0.220 0.000 0.024 0.000 3/31752 450.0 0.182 0.262 0.215 0.000 0.024 0.000 3/31752 460.0 0.178 0.256 0.211 0.000 0.023 0.000 3/31752 470.0 0.174 0.250 0.206 0.000 0.022 0.000 3/31752 480.0 0.171 0.245 0.202 0.000 0.022 0.000 3/31752 490.0 0.167 0.240 0.198 0.000 0.021 0.000 3/31752 500.0 0.164 0.235 0.194 0.000 0.021 0.000 3/31752 510.0 0.161 0.230 0.190 0.000 0.020 0.000 3/31752 520.0 0.158 0.226 0.187 0.000 0.020 0.000 3/31752 530.0 0.155 0.222 0.183 0.000 0.020 0.000 3/31752 540.0 0.152 0.218 0.180 0.000 0.019 0.000 3/31752 550.0 0.149 0.214 0.177 0.000 0.019 0.000 3/31752 560.0 0.146 0.210 0.174 0.000 0.018 0.000 3/31752 570.0 0.144 0.206 0.171 0.000 0.018 0.000 3/31752 580.0 0.141 0.202 0.168 0.000 0.018 0.000 3/31752 590.0 0.139 0.199 0.165 0.000 0.017 0.000 3/31752 600.0 0.136 0.196 0.162 0.000 0.017 0.000 3/31752 610.0 0.134 0.192 0.160 0.000 0.017 0.000 3/31752 620.0 0.132 0.189 0.157 0.000 0.016 0.000 3/31752 630.0 0.130 0.186 0.155 0.000 0.016 0.000 3/31752 640.0 0.128 0.183 0.153 0.000 0.016 0.000 3/31752 650.0 0.126 0.180 0.150 0.000 0.016 0.000 3/31752 660.0 0.124 0.178 0.148 0.000 0.015 0.000 3/31752 670.0 0.122 0.175 0.146 0.000 0.015 0.000 3/31752 680.0 0.120 0.172 0.144 0.000 0.015 0.000 3/31752 690.0 0.119 0.170 0.142 0.000 0.015 0.000 3/31752 700.0 0.117 0.167 0.140 0.000 0.014 0.000 3/31752 710.0 0.115 0.165 0.138 0.000 0.014 0.000 3/31752 720.0 0.114 0.163 0.136 0.000 0.014 0.000 3/31752 730.0 0.112 0.161 0.134 0.000 0.014 0.000 3/31752 740.0 0.111 0.158 0.132 0.000 0.014 0.000 3/31752 750.0 0.109 0.156 0.130 0.000 0.013 0.000 3/31752 760.0 0.108 0.154 0.129 0.000 0.013 0.000 3/31752 770.0 0.106 0.152 0.127 0.000 0.013 0.000 3/31752 780.0 0.105 0.150 0.126 0.000 0.013 0.000 3/31752 790.0 0.104 0.148 0.124 0.000 0.013 0.000 3/31752 800.0 0.102 0.146 0.122 0.000 0.012 0.000 3/31752 810.0 0.101 0.145 0.121 0.000 0.012 0.000 3/31752 820.0 0.100 0.143 0.119 0.000 0.012 0.000 3/31752 830.0 0.099 0.141 0.118 0.000 0.012 0.000 3/31752 840.0 0.097 0.139 0.117 0.000 0.012 0.000 3/31752 850.0 0.096 0.138 0.115 0.000 0.012 0.000 3/31752 860.0 0.095 0.136 0.114 0.000 0.012 0.000 3/31752 870.0 0.094 0.135 0.113 0.000 0.011 0.000 3/31752 880.0 0.093 0.133 0.111 0.000 0.011 0.000 3/31752 890.0 0.092 0.132 0.110 0.000 0.011 0.000 3/31752 900.0 0.091 0.130 0.109 0.000 0.011 0.000 3/31752 910.0 0.090 0.129 0.108 0.000 0.011 0.000 3/31752 920.0 0.089 0.127 0.107 0.000 0.011 0.000 3/31752 930.0 0.088 0.126 0.105 0.000 0.011 0.000 3/31752 940.0 0.087 0.125 0.104 0.000 0.011 0.000 3/31752 950.0 0.086 0.123 0.103 0.000 0.010 0.000 3/31752 960.0 0.085 0.122 0.102 0.000 0.010 0.000 3/31752 970.0 0.084 0.121 0.101 0.000 0.010 0.000 3/31752 980.0 0.083 0.120 0.100 0.000 0.010 0.000 3/31752 990.0 0.083 0.118 0.099 0.000 0.010 0.000 3/31752 1000.0 0.082 0.117 0.098 0.000 0.010 0.000 3/31752 Thermal conductivity related properties were written into "kappa-m737.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:44:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|