----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:29:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.528109361079026 0.000000000000000 0.000000000000000 b 0.000000000000000 8.202143189999999 0.000000000000000 c -3.718331021642132 0.000000000000000 9.134675535466165 Atomic positions (fractional): *1 O 0.62537854740146 0.89117563288020 0.89404659584313 15.999 *2 O 0.96839184671205 0.41112667019979 0.62718958189747 15.999 3 O 0.03160815328795 0.91112667019979 0.87281041810253 15.999 4 O 0.03160815328795 0.58887332980021 0.37281041810253 15.999 5 O 0.96839184671205 0.08887332980021 0.12718958189747 15.999 *6 O 0.12873034511255 0.16450592806375 0.56621791984420 15.999 7 O 0.87126965488745 0.66450592806375 0.93378208015580 15.999 8 O 0.87126965488745 0.83549407193625 0.43378208015580 15.999 *9 O 0.81857285437335 0.37113501195718 0.09226990436301 15.999 10 O 0.18142714562665 0.87113501195718 0.40773009563700 15.999 11 O 0.18142714562665 0.62886498804282 0.90773009563700 15.999 12 O 0.81857285437335 0.12886498804282 0.59226990436300 15.999 *13 O 0.82423380067417 0.22350813409895 0.87354022471703 15.999 14 O 0.17576619932583 0.72350813409895 0.62645977528297 15.999 15 O 0.17576619932583 0.77649186590105 0.12645977528297 15.999 16 O 0.82423380067417 0.27649186590105 0.37354022471703 15.999 *17 O 0.30049157230765 0.21194668901014 0.38687589213948 15.999 18 O 0.69950842769235 0.71194668901014 0.11312410786052 15.999 19 O 0.69950842769235 0.78805331098986 0.61312410786052 15.999 *20 O 0.54011832997601 0.58804688694500 0.85418618154535 15.999 21 O 0.37462145259854 0.10882436711979 0.10595340415687 15.999 22 O 0.62537854740146 0.60882436711980 0.39404659584313 15.999 23 O 0.30049157230765 0.28805331098986 0.88687589213948 15.999 24 O 0.37462145259854 0.39117563288021 0.60595340415687 15.999 25 O 0.54011832997601 0.91195311305500 0.35418618154536 15.999 26 O 0.45988167002399 0.41195311305500 0.14581381845465 15.999 27 O 0.45988167002399 0.08804688694500 0.64581381845465 15.999 28 O 0.12873034511255 0.33549407193625 0.06621791984420 15.999 *29 Na 0.71482959905637 0.47800344098712 0.71339016765715 22.990 30 Na 0.71482959905637 0.02199655901288 0.21339016765715 22.990 31 Na 0.28517040094363 0.97800344098712 0.78660983234285 22.990 32 Na 0.28517040094363 0.52199655901288 0.28660983234285 22.990 *33 P 0.67293192352167 0.71589595523485 0.95186424921866 30.974 *34 P 0.92507572190312 0.24794726359381 0.03847321931431 30.974 35 P 0.07492427809688 0.74794726359381 0.46152678068569 30.974 36 P 0.07492427809688 0.75205273640619 0.96152678068569 30.974 37 P 0.92507572190312 0.25205273640619 0.53847321931431 30.974 38 P 0.32706807647832 0.28410404476515 0.04813575078134 30.974 39 P 0.32706807647832 0.21589595523485 0.54813575078134 30.974 40 P 0.67293192352167 0.78410404476515 0.45186424921866 30.974 *41 In 0.25342956148770 0.50343851277530 0.75066334466124 114.818 42 In 0.74657043851230 0.00343851277529 0.74933665533876 114.818 43 In 0.74657043851230 0.49656148722471 0.24933665533875 114.818 44 In 0.25342956148770 0.99656148722470 0.25066334466125 114.818 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.528109361079026 0.000000000000000 0.000000000000000 b 0.000000000000000 8.202143189999999 0.000000000000000 c -3.718331021642132 0.000000000000000 9.134675535466165 Atomic positions (fractional): *1 O 0.62537854740146 0.89117563288020 0.89404659584313 15.999 > 1 *2 O 0.96839184671205 0.41112667019979 0.62718958189747 15.999 > 2 3 O 0.03160815328795 0.91112667019979 0.87281041810253 15.999 > 3 4 O 0.03160815328795 0.58887332980021 0.37281041810253 15.999 > 4 5 O 0.96839184671205 0.08887332980021 0.12718958189747 15.999 > 5 *6 O 0.12873034511255 0.16450592806375 0.56621791984420 15.999 > 6 7 O 0.87126965488745 0.66450592806375 0.93378208015580 15.999 > 7 8 O 0.87126965488745 0.83549407193625 0.43378208015580 15.999 > 8 *9 O 0.81857285437335 0.37113501195718 0.09226990436301 15.999 > 9 10 O 0.18142714562665 0.87113501195718 0.40773009563700 15.999 > 10 11 O 0.18142714562665 0.62886498804282 0.90773009563700 15.999 > 11 12 O 0.81857285437335 0.12886498804282 0.59226990436300 15.999 > 12 *13 O 0.82423380067417 0.22350813409895 0.87354022471703 15.999 > 13 14 O 0.17576619932583 0.72350813409895 0.62645977528297 15.999 > 14 15 O 0.17576619932583 0.77649186590105 0.12645977528297 15.999 > 15 16 O 0.82423380067417 0.27649186590105 0.37354022471703 15.999 > 16 *17 O 0.30049157230765 0.21194668901014 0.38687589213948 15.999 > 17 18 O 0.69950842769235 0.71194668901014 0.11312410786052 15.999 > 18 19 O 0.69950842769235 0.78805331098986 0.61312410786052 15.999 > 19 *20 O 0.54011832997601 0.58804688694500 0.85418618154535 15.999 > 20 21 O 0.37462145259854 0.10882436711979 0.10595340415687 15.999 > 21 22 O 0.62537854740146 0.60882436711980 0.39404659584313 15.999 > 22 23 O 0.30049157230765 0.28805331098986 0.88687589213948 15.999 > 23 24 O 0.37462145259854 0.39117563288021 0.60595340415687 15.999 > 24 25 O 0.54011832997601 0.91195311305500 0.35418618154536 15.999 > 25 26 O 0.45988167002399 0.41195311305500 0.14581381845465 15.999 > 26 27 O 0.45988167002399 0.08804688694500 0.64581381845465 15.999 > 27 28 O 0.12873034511255 0.33549407193625 0.06621791984420 15.999 > 28 *29 Na 0.71482959905637 0.47800344098712 0.71339016765715 22.990 > 29 30 Na 0.71482959905637 0.02199655901288 0.21339016765715 22.990 > 30 31 Na 0.28517040094363 0.97800344098712 0.78660983234285 22.990 > 31 32 Na 0.28517040094363 0.52199655901288 0.28660983234285 22.990 > 32 *33 P 0.67293192352167 0.71589595523485 0.95186424921866 30.974 > 33 *34 P 0.92507572190312 0.24794726359381 0.03847321931431 30.974 > 34 35 P 0.07492427809688 0.74794726359381 0.46152678068569 30.974 > 35 36 P 0.07492427809688 0.75205273640619 0.96152678068569 30.974 > 36 37 P 0.92507572190312 0.25205273640619 0.53847321931431 30.974 > 37 38 P 0.32706807647832 0.28410404476515 0.04813575078134 30.974 > 38 39 P 0.32706807647832 0.21589595523485 0.54813575078134 30.974 > 39 40 P 0.67293192352167 0.78410404476515 0.45186424921866 30.974 > 40 *41 In 0.25342956148770 0.50343851277530 0.75066334466124 114.818 > 41 42 In 0.74657043851230 0.00343851277529 0.74933665533876 114.818 > 42 43 In 0.74657043851230 0.49656148722471 0.24933665533875 114.818 > 43 44 In 0.25342956148770 0.99656148722470 0.25066334466125 114.818 > 44 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.056218722158052 0.000000000000000 0.000000000000000 b 0.000000000000000 8.202143189999999 0.000000000000000 c -3.718331021642132 0.000000000000000 9.134675535466165 Atomic positions (fractional): *1 O 0.31268927370073 0.89117563288020 0.89404659584313 15.999 > 1 2 O 0.81268927370073 0.89117563288020 0.89404659584313 15.999 > 1 *3 O 0.48419592335602 0.41112667019979 0.62718958189747 15.999 > 2 4 O 0.98419592335602 0.41112667019979 0.62718958189747 15.999 > 2 5 O 0.01580407664398 0.91112667019979 0.87281041810253 15.999 > 3 6 O 0.51580407664398 0.91112667019979 0.87281041810253 15.999 > 3 7 O 0.01580407664398 0.58887332980021 0.37281041810253 15.999 > 4 8 O 0.51580407664398 0.58887332980021 0.37281041810253 15.999 > 4 9 O 0.48419592335602 0.08887332980021 0.12718958189747 15.999 > 5 10 O 0.98419592335602 0.08887332980021 0.12718958189747 15.999 > 5 *11 O 0.06436517255628 0.16450592806375 0.56621791984420 15.999 > 6 12 O 0.56436517255628 0.16450592806375 0.56621791984420 15.999 > 6 13 O 0.43563482744372 0.66450592806375 0.93378208015580 15.999 > 7 14 O 0.93563482744372 0.66450592806375 0.93378208015580 15.999 > 7 15 O 0.43563482744372 0.83549407193625 0.43378208015580 15.999 > 8 16 O 0.93563482744372 0.83549407193625 0.43378208015580 15.999 > 8 *17 O 0.40928642718668 0.37113501195718 0.09226990436301 15.999 > 9 18 O 0.90928642718668 0.37113501195718 0.09226990436301 15.999 > 9 19 O 0.09071357281332 0.87113501195718 0.40773009563700 15.999 > 10 20 O 0.59071357281332 0.87113501195718 0.40773009563700 15.999 > 10 21 O 0.09071357281332 0.62886498804282 0.90773009563700 15.999 > 11 22 O 0.59071357281332 0.62886498804282 0.90773009563700 15.999 > 11 23 O 0.40928642718668 0.12886498804282 0.59226990436300 15.999 > 12 24 O 0.90928642718668 0.12886498804282 0.59226990436300 15.999 > 12 *25 O 0.41211690033708 0.22350813409895 0.87354022471703 15.999 > 13 26 O 0.91211690033708 0.22350813409895 0.87354022471703 15.999 > 13 27 O 0.08788309966292 0.72350813409895 0.62645977528297 15.999 > 14 28 O 0.58788309966292 0.72350813409895 0.62645977528297 15.999 > 14 29 O 0.08788309966292 0.77649186590105 0.12645977528297 15.999 > 15 30 O 0.58788309966292 0.77649186590105 0.12645977528297 15.999 > 15 31 O 0.41211690033708 0.27649186590105 0.37354022471703 15.999 > 16 32 O 0.91211690033708 0.27649186590105 0.37354022471703 15.999 > 16 *33 O 0.15024578615383 0.21194668901014 0.38687589213948 15.999 > 17 34 O 0.65024578615383 0.21194668901014 0.38687589213948 15.999 > 17 35 O 0.34975421384617 0.71194668901014 0.11312410786052 15.999 > 18 36 O 0.84975421384617 0.71194668901014 0.11312410786052 15.999 > 18 37 O 0.34975421384617 0.78805331098986 0.61312410786052 15.999 > 19 38 O 0.84975421384617 0.78805331098986 0.61312410786052 15.999 > 19 *39 O 0.27005916498800 0.58804688694500 0.85418618154535 15.999 > 20 40 O 0.77005916498800 0.58804688694500 0.85418618154535 15.999 > 20 41 O 0.18731072629927 0.10882436711979 0.10595340415687 15.999 > 21 42 O 0.68731072629927 0.10882436711979 0.10595340415687 15.999 > 21 43 O 0.31268927370073 0.60882436711980 0.39404659584313 15.999 > 22 44 O 0.81268927370073 0.60882436711980 0.39404659584313 15.999 > 22 45 O 0.15024578615383 0.28805331098986 0.88687589213948 15.999 > 23 46 O 0.65024578615383 0.28805331098986 0.88687589213948 15.999 > 23 47 O 0.18731072629927 0.39117563288021 0.60595340415687 15.999 > 24 48 O 0.68731072629927 0.39117563288021 0.60595340415687 15.999 > 24 49 O 0.27005916498800 0.91195311305500 0.35418618154536 15.999 > 25 50 O 0.77005916498800 0.91195311305500 0.35418618154536 15.999 > 25 51 O 0.22994083501200 0.41195311305500 0.14581381845465 15.999 > 26 52 O 0.72994083501200 0.41195311305500 0.14581381845465 15.999 > 26 53 O 0.22994083501200 0.08804688694500 0.64581381845465 15.999 > 27 54 O 0.72994083501200 0.08804688694500 0.64581381845465 15.999 > 27 55 O 0.06436517255628 0.33549407193625 0.06621791984420 15.999 > 28 56 O 0.56436517255628 0.33549407193625 0.06621791984420 15.999 > 28 *57 Na 0.35741479952818 0.47800344098712 0.71339016765715 22.990 > 29 58 Na 0.85741479952818 0.47800344098712 0.71339016765715 22.990 > 29 59 Na 0.35741479952818 0.02199655901288 0.21339016765715 22.990 > 30 60 Na 0.85741479952818 0.02199655901288 0.21339016765715 22.990 > 30 61 Na 0.14258520047182 0.97800344098712 0.78660983234285 22.990 > 31 62 Na 0.64258520047182 0.97800344098712 0.78660983234285 22.990 > 31 63 Na 0.14258520047182 0.52199655901288 0.28660983234285 22.990 > 32 64 Na 0.64258520047182 0.52199655901288 0.28660983234285 22.990 > 32 *65 P 0.33646596176084 0.71589595523485 0.95186424921866 30.974 > 33 66 P 0.83646596176084 0.71589595523485 0.95186424921866 30.974 > 33 *67 P 0.46253786095156 0.24794726359381 0.03847321931431 30.974 > 34 68 P 0.96253786095156 0.24794726359381 0.03847321931431 30.974 > 34 69 P 0.03746213904844 0.74794726359381 0.46152678068569 30.974 > 35 70 P 0.53746213904844 0.74794726359381 0.46152678068569 30.974 > 35 71 P 0.03746213904844 0.75205273640619 0.96152678068569 30.974 > 36 72 P 0.53746213904844 0.75205273640619 0.96152678068569 30.974 > 36 73 P 0.46253786095156 0.25205273640619 0.53847321931431 30.974 > 37 74 P 0.96253786095156 0.25205273640619 0.53847321931431 30.974 > 37 75 P 0.16353403823916 0.28410404476515 0.04813575078134 30.974 > 38 76 P 0.66353403823916 0.28410404476515 0.04813575078134 30.974 > 38 77 P 0.16353403823916 0.21589595523485 0.54813575078134 30.974 > 39 78 P 0.66353403823916 0.21589595523485 0.54813575078134 30.974 > 39 79 P 0.33646596176084 0.78410404476515 0.45186424921866 30.974 > 40 80 P 0.83646596176084 0.78410404476515 0.45186424921866 30.974 > 40 *81 In 0.12671478074385 0.50343851277530 0.75066334466124 114.818 > 41 82 In 0.62671478074385 0.50343851277530 0.75066334466124 114.818 > 41 83 In 0.37328521925615 0.00343851277529 0.74933665533876 114.818 > 42 84 In 0.87328521925615 0.00343851277529 0.74933665533876 114.818 > 42 85 In 0.37328521925615 0.49656148722471 0.24933665533875 114.818 > 43 86 In 0.87328521925615 0.49656148722471 0.24933665533875 114.818 > 43 87 In 0.12671478074385 0.99656148722470 0.25066334466125 114.818 > 44 88 In 0.62671478074385 0.99656148722470 0.25066334466125 114.818 > 44 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7105352 0.0000000 -0.0104758 0.0000000 2.7575505 0.0000000 -0.0104750 0.0000000 2.8093316 -------------------------- Born effective charges -------------------------- 1 O -1.3243181 -0.2356116 0.1473505 -0.1745840 -2.0734040 0.6091812 0.1417944 0.5856045 -1.4463793 2 O -1.2736174 -0.1898276 -0.1831096 -0.2006929 -1.8515092 -0.5250331 -0.1711506 -0.5258736 -1.5454383 3 O -1.2736174 0.1898276 -0.1831096 0.2006929 -1.8515092 0.5250331 -0.1711506 0.5258736 -1.5454383 4 O -1.2736174 -0.1898276 -0.1831096 -0.2006929 -1.8515092 -0.5250331 -0.1711506 -0.5258736 -1.5454383 5 O -1.2736174 0.1898276 -0.1831096 0.2006929 -1.8515092 0.5250331 -0.1711506 0.5258736 -1.5454383 6 O -3.1056528 0.2214177 -0.0882395 0.3876380 -1.1657314 0.0577925 -0.0506477 0.0184651 -0.9897293 7 O -3.1056528 -0.2214177 -0.0882395 -0.3876380 -1.1657314 -0.0577925 -0.0506477 -0.0184651 -0.9897293 8 O -3.1056528 0.2214177 -0.0882395 0.3876380 -1.1657314 0.0577925 -0.0506477 0.0184651 -0.9897293 9 O -1.7855045 0.8416995 0.5276823 0.7638747 -1.8269931 -0.4889673 0.5564477 -0.4474779 -1.4156069 10 O -1.7855045 -0.8416995 0.5276823 -0.7638747 -1.8269931 0.4889673 0.5564477 0.4474779 -1.4156069 11 O -1.7855045 0.8416995 0.5276823 0.7638747 -1.8269931 -0.4889673 0.5564477 -0.4474779 -1.4156069 12 O -1.7855045 -0.8416995 0.5276823 -0.7638747 -1.8269931 0.4889673 0.5564477 0.4474779 -1.4156069 13 O -1.0152272 -0.0099716 -0.2294691 -0.0200741 -1.4824267 -0.5703029 -0.1047599 -0.4196098 -2.3659967 14 O -1.0152272 0.0099716 -0.2294691 0.0200741 -1.4824267 0.5703029 -0.1047599 0.4196098 -2.3659967 15 O -1.0152272 -0.0099716 -0.2294691 -0.0200741 -1.4824267 -0.5703029 -0.1047599 -0.4196098 -2.3659967 16 O -1.0152272 0.0099716 -0.2294691 0.0200741 -1.4824267 0.5703029 -0.1047599 0.4196098 -2.3659967 17 O -1.0803498 0.1481084 0.3888952 0.1542033 -1.3360569 -0.4382005 0.2980012 -0.3542106 -2.4068035 18 O -1.0803498 -0.1481084 0.3888952 -0.1542033 -1.3360569 0.4382005 0.2980012 0.3542106 -2.4068035 19 O -1.0803498 0.1481084 0.3888952 0.1542033 -1.3360569 -0.4382005 0.2980012 -0.3542106 -2.4068035 20 O -1.7926844 -0.7951419 -0.7155156 -0.5071012 -1.6237513 -0.5351175 -0.4602197 -0.5092874 -1.5976010 21 O -1.3243181 -0.2356116 0.1473505 -0.1745840 -2.0734040 0.6091812 0.1417944 0.5856045 -1.4463793 22 O -1.3243181 0.2356116 0.1473505 0.1745840 -2.0734040 -0.6091812 0.1417944 -0.5856045 -1.4463793 23 O -1.0803498 -0.1481084 0.3888952 -0.1542033 -1.3360569 0.4382005 0.2980012 0.3542106 -2.4068035 24 O -1.3243181 0.2356116 0.1473505 0.1745840 -2.0734040 -0.6091812 0.1417944 -0.5856045 -1.4463793 25 O -1.7926844 0.7951419 -0.7155156 0.5071012 -1.6237513 0.5351175 -0.4602197 0.5092874 -1.5976010 26 O -1.7926844 -0.7951419 -0.7155156 -0.5071012 -1.6237513 -0.5351175 -0.4602197 -0.5092874 -1.5976010 27 O -1.7926844 0.7951419 -0.7155156 0.5071012 -1.6237513 0.5351175 -0.4602197 0.5092874 -1.5976010 28 O -3.1056528 -0.2214177 -0.0882395 -0.3876380 -1.1657314 -0.0577925 -0.0506477 -0.0184651 -0.9897293 29 Na 1.1695649 -0.0099184 -0.0451032 -0.0045274 1.2050292 0.0195121 -0.0493539 -0.0750204 1.1386663 30 Na 1.1695649 0.0099184 -0.0451032 0.0045274 1.2050292 -0.0195121 -0.0493539 0.0750204 1.1386663 31 Na 1.1695649 0.0099184 -0.0451032 0.0045274 1.2050292 -0.0195121 -0.0493539 0.0750204 1.1386663 32 Na 1.1695649 -0.0099184 -0.0451032 -0.0045274 1.2050292 0.0195121 -0.0493539 -0.0750204 1.1386663 33 P 3.4964450 0.5383628 0.0225278 0.4500315 3.3283556 -0.3920555 -0.0191566 -0.1216570 3.5186246 34 P 3.4985652 -0.2823243 0.2377148 -0.2725176 3.3853875 0.3959173 -0.2730679 -0.0259753 3.4151654 35 P 3.4985652 0.2823243 0.2377148 0.2725176 3.3853875 -0.3959173 -0.2730679 0.0259753 3.4151654 36 P 3.4985652 -0.2823243 0.2377148 -0.2725176 3.3853875 0.3959173 -0.2730679 -0.0259753 3.4151654 37 P 3.4985652 0.2823243 0.2377148 0.2725176 3.3853875 -0.3959173 -0.2730679 0.0259753 3.4151654 38 P 3.4964450 0.5383628 0.0225278 0.4500315 3.3283556 -0.3920555 -0.0191566 -0.1216570 3.5186246 39 P 3.4964450 -0.5383628 0.0225278 -0.4500315 3.3283556 0.3920555 -0.0191566 0.1216570 3.5186246 40 P 3.4964450 -0.5383628 0.0225278 -0.4500315 3.3283556 0.3920555 -0.0191566 0.1216570 3.5186246 41 In 3.2127790 -0.0341820 -0.0627336 -0.0066058 3.4411003 0.4906767 0.1321129 -0.2907501 3.6950987 42 In 3.2127790 0.0341820 -0.0627336 0.0066058 3.4411003 -0.4906767 0.1321129 0.2907501 3.6950987 43 In 3.2127790 -0.0341820 -0.0627336 -0.0066058 3.4411003 0.4906767 0.1321129 -0.2907501 3.6950987 44 In 3.2127790 0.0341820 -0.0627336 0.0066058 3.4411003 -0.4906767 0.1321129 0.2907501 3.6950987 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4488 Number of blocks in projector: 4488 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 446 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 968 / 968 (1) 453 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 446 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4488, 4390), data: False |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (968, 946), data: False |-- (968, 22), data: (968, 44) @ (44, 22) |-- (468, 446), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True |-- (968, 947), data: False |-- (968, 15), data: (968, 36) @ (36, 15) |-- (468, 453), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True |-- (968, 946), data: False |-- (968, 22), data: (968, 44) @ (44, 22) |-- (468, 446), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1360 - Time: 0.927 Solver_block: 200 / 1360 - Time: 0.736 Solver_block: 300 / 1360 - Time: 0.736 Solver_block: 400 / 1360 - Time: 0.735 Solver_block: 500 / 1360 - Time: 0.741 Solver_block: 600 / 1360 - Time: 0.736 Solver_block: 700 / 1360 - Time: 0.737 Solver_block: 800 / 1360 - Time: 0.738 Solver_block: 900 / 1360 - Time: 0.733 Solver_block: 1000 / 1360 - Time: 0.735 Solver_block: 1100 / 1360 - Time: 0.736 Solver_block: 1200 / 1360 - Time: 0.739 Solver_block: 1300 / 1360 - Time: 0.736 Solver_block: 1360 / 1360 - Time: 0.499 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 10.552 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4488 Number of blocks in projector: 4488 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 446 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 968 / 968 (1) 453 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 446 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4488, 4390), data: False |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (968, 946), data: False |-- (968, 22), data: (968, 44) @ (44, 22) |-- (468, 446), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True |-- (968, 947), data: False |-- (968, 15), data: (968, 36) @ (36, 15) |-- (468, 453), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True |-- (968, 946), data: False |-- (968, 22), data: (968, 44) @ (44, 22) |-- (468, 446), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:30:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:30:00]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.528109361079026 0.000000000000000 0.000000000000000 b 0.000000000000000 8.202143189999999 0.000000000000000 c -3.718331021642132 0.000000000000000 9.134675535466165 Atomic positions (fractional): 1 O 0.62537854740146 0.89117563288020 0.89404659584313 15.999 2 O 0.96839184671205 0.41112667019979 0.62718958189747 15.999 3 O 0.03160815328795 0.91112667019979 0.87281041810253 15.999 4 O 0.03160815328795 0.58887332980021 0.37281041810253 15.999 5 O 0.96839184671205 0.08887332980021 0.12718958189747 15.999 6 O 0.12873034511255 0.16450592806375 0.56621791984420 15.999 7 O 0.87126965488745 0.66450592806375 0.93378208015580 15.999 8 O 0.87126965488745 0.83549407193625 0.43378208015580 15.999 9 O 0.81857285437335 0.37113501195718 0.09226990436301 15.999 10 O 0.18142714562665 0.87113501195718 0.40773009563700 15.999 11 O 0.18142714562665 0.62886498804282 0.90773009563700 15.999 12 O 0.81857285437335 0.12886498804282 0.59226990436300 15.999 13 O 0.82423380067417 0.22350813409895 0.87354022471703 15.999 14 O 0.17576619932583 0.72350813409895 0.62645977528297 15.999 15 O 0.17576619932583 0.77649186590105 0.12645977528297 15.999 16 O 0.82423380067417 0.27649186590105 0.37354022471703 15.999 17 O 0.30049157230765 0.21194668901014 0.38687589213948 15.999 18 O 0.69950842769235 0.71194668901014 0.11312410786052 15.999 19 O 0.69950842769235 0.78805331098986 0.61312410786052 15.999 20 O 0.54011832997601 0.58804688694500 0.85418618154535 15.999 21 O 0.37462145259854 0.10882436711979 0.10595340415687 15.999 22 O 0.62537854740146 0.60882436711980 0.39404659584313 15.999 23 O 0.30049157230765 0.28805331098986 0.88687589213948 15.999 24 O 0.37462145259854 0.39117563288021 0.60595340415687 15.999 25 O 0.54011832997601 0.91195311305500 0.35418618154536 15.999 26 O 0.45988167002399 0.41195311305500 0.14581381845465 15.999 27 O 0.45988167002399 0.08804688694500 0.64581381845465 15.999 28 O 0.12873034511255 0.33549407193625 0.06621791984420 15.999 29 Na 0.71482959905637 0.47800344098712 0.71339016765715 22.990 30 Na 0.71482959905637 0.02199655901288 0.21339016765715 22.990 31 Na 0.28517040094363 0.97800344098712 0.78660983234285 22.990 32 Na 0.28517040094363 0.52199655901288 0.28660983234285 22.990 33 P 0.67293192352167 0.71589595523485 0.95186424921866 30.974 34 P 0.92507572190312 0.24794726359381 0.03847321931431 30.974 35 P 0.07492427809688 0.74794726359381 0.46152678068569 30.974 36 P 0.07492427809688 0.75205273640619 0.96152678068569 30.974 37 P 0.92507572190312 0.25205273640619 0.53847321931431 30.974 38 P 0.32706807647832 0.28410404476515 0.04813575078134 30.974 39 P 0.32706807647832 0.21589595523485 0.54813575078134 30.974 40 P 0.67293192352167 0.78410404476515 0.45186424921866 30.974 41 In 0.25342956148770 0.50343851277530 0.75066334466124 114.818 42 In 0.74657043851230 0.00343851277529 0.74933665533876 114.818 43 In 0.74657043851230 0.49656148722471 0.24933665533875 114.818 44 In 0.25342956148770 0.99656148722470 0.25066334466125 114.818 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.056218722158052 0.000000000000000 0.000000000000000 b 0.000000000000000 8.202143189999999 0.000000000000000 c -3.718331021642132 0.000000000000000 9.134675535466165 Atomic positions (fractional): 1 O 0.31268927370073 0.89117563288020 0.89404659584313 15.999 > 1 2 O 0.81268927370073 0.89117563288020 0.89404659584313 15.999 > 1 3 O 0.48419592335602 0.41112667019979 0.62718958189747 15.999 > 3 4 O 0.98419592335602 0.41112667019979 0.62718958189747 15.999 > 3 5 O 0.01580407664398 0.91112667019979 0.87281041810253 15.999 > 5 6 O 0.51580407664398 0.91112667019979 0.87281041810253 15.999 > 5 7 O 0.01580407664398 0.58887332980021 0.37281041810253 15.999 > 7 8 O 0.51580407664398 0.58887332980021 0.37281041810253 15.999 > 7 9 O 0.48419592335602 0.08887332980021 0.12718958189747 15.999 > 9 10 O 0.98419592335602 0.08887332980021 0.12718958189747 15.999 > 9 11 O 0.06436517255628 0.16450592806375 0.56621791984420 15.999 > 11 12 O 0.56436517255628 0.16450592806375 0.56621791984420 15.999 > 11 13 O 0.43563482744372 0.66450592806375 0.93378208015580 15.999 > 13 14 O 0.93563482744372 0.66450592806375 0.93378208015580 15.999 > 13 15 O 0.43563482744372 0.83549407193625 0.43378208015580 15.999 > 15 16 O 0.93563482744372 0.83549407193625 0.43378208015580 15.999 > 15 17 O 0.40928642718668 0.37113501195718 0.09226990436301 15.999 > 17 18 O 0.90928642718668 0.37113501195718 0.09226990436301 15.999 > 17 19 O 0.09071357281332 0.87113501195718 0.40773009563700 15.999 > 19 20 O 0.59071357281332 0.87113501195718 0.40773009563700 15.999 > 19 21 O 0.09071357281332 0.62886498804282 0.90773009563700 15.999 > 21 22 O 0.59071357281332 0.62886498804282 0.90773009563700 15.999 > 21 23 O 0.40928642718668 0.12886498804282 0.59226990436300 15.999 > 23 24 O 0.90928642718668 0.12886498804282 0.59226990436300 15.999 > 23 25 O 0.41211690033708 0.22350813409895 0.87354022471703 15.999 > 25 26 O 0.91211690033708 0.22350813409895 0.87354022471703 15.999 > 25 27 O 0.08788309966292 0.72350813409895 0.62645977528297 15.999 > 27 28 O 0.58788309966292 0.72350813409895 0.62645977528297 15.999 > 27 29 O 0.08788309966292 0.77649186590105 0.12645977528297 15.999 > 29 30 O 0.58788309966292 0.77649186590105 0.12645977528297 15.999 > 29 31 O 0.41211690033708 0.27649186590105 0.37354022471703 15.999 > 31 32 O 0.91211690033708 0.27649186590105 0.37354022471703 15.999 > 31 33 O 0.15024578615383 0.21194668901014 0.38687589213948 15.999 > 33 34 O 0.65024578615383 0.21194668901014 0.38687589213948 15.999 > 33 35 O 0.34975421384617 0.71194668901014 0.11312410786052 15.999 > 35 36 O 0.84975421384617 0.71194668901014 0.11312410786052 15.999 > 35 37 O 0.34975421384617 0.78805331098986 0.61312410786052 15.999 > 37 38 O 0.84975421384617 0.78805331098986 0.61312410786052 15.999 > 37 39 O 0.27005916498800 0.58804688694500 0.85418618154535 15.999 > 39 40 O 0.77005916498800 0.58804688694500 0.85418618154535 15.999 > 39 41 O 0.18731072629927 0.10882436711979 0.10595340415687 15.999 > 41 42 O 0.68731072629927 0.10882436711979 0.10595340415687 15.999 > 41 43 O 0.31268927370073 0.60882436711980 0.39404659584313 15.999 > 43 44 O 0.81268927370073 0.60882436711980 0.39404659584313 15.999 > 43 45 O 0.15024578615383 0.28805331098986 0.88687589213948 15.999 > 45 46 O 0.65024578615383 0.28805331098986 0.88687589213948 15.999 > 45 47 O 0.18731072629927 0.39117563288021 0.60595340415687 15.999 > 47 48 O 0.68731072629927 0.39117563288021 0.60595340415687 15.999 > 47 49 O 0.27005916498800 0.91195311305500 0.35418618154536 15.999 > 49 50 O 0.77005916498800 0.91195311305500 0.35418618154536 15.999 > 49 51 O 0.22994083501200 0.41195311305500 0.14581381845465 15.999 > 51 52 O 0.72994083501200 0.41195311305500 0.14581381845465 15.999 > 51 53 O 0.22994083501200 0.08804688694500 0.64581381845465 15.999 > 53 54 O 0.72994083501200 0.08804688694500 0.64581381845465 15.999 > 53 55 O 0.06436517255628 0.33549407193625 0.06621791984420 15.999 > 55 56 O 0.56436517255628 0.33549407193625 0.06621791984420 15.999 > 55 57 Na 0.35741479952818 0.47800344098712 0.71339016765715 22.990 > 57 58 Na 0.85741479952818 0.47800344098712 0.71339016765715 22.990 > 57 59 Na 0.35741479952818 0.02199655901288 0.21339016765715 22.990 > 59 60 Na 0.85741479952818 0.02199655901288 0.21339016765715 22.990 > 59 61 Na 0.14258520047182 0.97800344098712 0.78660983234285 22.990 > 61 62 Na 0.64258520047182 0.97800344098712 0.78660983234285 22.990 > 61 63 Na 0.14258520047182 0.52199655901288 0.28660983234285 22.990 > 63 64 Na 0.64258520047182 0.52199655901288 0.28660983234285 22.990 > 63 65 P 0.33646596176084 0.71589595523485 0.95186424921866 30.974 > 65 66 P 0.83646596176084 0.71589595523485 0.95186424921866 30.974 > 65 67 P 0.46253786095156 0.24794726359381 0.03847321931431 30.974 > 67 68 P 0.96253786095156 0.24794726359381 0.03847321931431 30.974 > 67 69 P 0.03746213904844 0.74794726359381 0.46152678068569 30.974 > 69 70 P 0.53746213904844 0.74794726359381 0.46152678068569 30.974 > 69 71 P 0.03746213904844 0.75205273640619 0.96152678068569 30.974 > 71 72 P 0.53746213904844 0.75205273640619 0.96152678068569 30.974 > 71 73 P 0.46253786095156 0.25205273640619 0.53847321931431 30.974 > 73 74 P 0.96253786095156 0.25205273640619 0.53847321931431 30.974 > 73 75 P 0.16353403823916 0.28410404476515 0.04813575078134 30.974 > 75 76 P 0.66353403823916 0.28410404476515 0.04813575078134 30.974 > 75 77 P 0.16353403823916 0.21589595523485 0.54813575078134 30.974 > 77 78 P 0.66353403823916 0.21589595523485 0.54813575078134 30.974 > 77 79 P 0.33646596176084 0.78410404476515 0.45186424921866 30.974 > 79 80 P 0.83646596176084 0.78410404476515 0.45186424921866 30.974 > 79 81 In 0.12671478074385 0.50343851277530 0.75066334466124 114.818 > 81 82 In 0.62671478074385 0.50343851277530 0.75066334466124 114.818 > 81 83 In 0.37328521925615 0.00343851277529 0.74933665533876 114.818 > 83 84 In 0.87328521925615 0.00343851277529 0.74933665533876 114.818 > 83 85 In 0.37328521925615 0.49656148722471 0.24933665533875 114.818 > 85 86 In 0.87328521925615 0.49656148722471 0.24933665533875 114.818 > 85 87 In 0.12671478074385 0.99656148722470 0.25066334466125 114.818 > 87 88 In 0.62671478074385 0.99656148722470 0.25066334466125 114.818 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7105352 0.0000000 -0.0104758 0.0000000 2.7575505 0.0000000 -0.0104750 0.0000000 2.8093316 -------------------------- Born effective charges -------------------------- 1 O -1.3243181 -0.2356116 0.1473505 -0.1745840 -2.0734040 0.6091812 0.1417944 0.5856045 -1.4463793 2 O -1.2736174 -0.1898276 -0.1831096 -0.2006929 -1.8515092 -0.5250331 -0.1711506 -0.5258736 -1.5454383 3 O -1.2736174 0.1898276 -0.1831096 0.2006929 -1.8515092 0.5250331 -0.1711506 0.5258736 -1.5454383 4 O -1.2736174 -0.1898276 -0.1831096 -0.2006929 -1.8515092 -0.5250331 -0.1711506 -0.5258736 -1.5454383 5 O -1.2736174 0.1898276 -0.1831096 0.2006929 -1.8515092 0.5250331 -0.1711506 0.5258736 -1.5454383 6 O -3.1056528 0.2214177 -0.0882395 0.3876380 -1.1657314 0.0577925 -0.0506477 0.0184651 -0.9897293 7 O -3.1056528 -0.2214177 -0.0882395 -0.3876380 -1.1657314 -0.0577925 -0.0506477 -0.0184651 -0.9897293 8 O -3.1056528 0.2214177 -0.0882395 0.3876380 -1.1657314 0.0577925 -0.0506477 0.0184651 -0.9897293 9 O -1.7855045 0.8416995 0.5276823 0.7638747 -1.8269931 -0.4889673 0.5564477 -0.4474779 -1.4156069 10 O -1.7855045 -0.8416995 0.5276823 -0.7638747 -1.8269931 0.4889673 0.5564477 0.4474779 -1.4156069 11 O -1.7855045 0.8416995 0.5276823 0.7638747 -1.8269931 -0.4889673 0.5564477 -0.4474779 -1.4156069 12 O -1.7855045 -0.8416995 0.5276823 -0.7638747 -1.8269931 0.4889673 0.5564477 0.4474779 -1.4156069 13 O -1.0152272 -0.0099716 -0.2294691 -0.0200741 -1.4824267 -0.5703029 -0.1047599 -0.4196098 -2.3659967 14 O -1.0152272 0.0099716 -0.2294691 0.0200741 -1.4824267 0.5703029 -0.1047599 0.4196098 -2.3659967 15 O -1.0152272 -0.0099716 -0.2294691 -0.0200741 -1.4824267 -0.5703029 -0.1047599 -0.4196098 -2.3659967 16 O -1.0152272 0.0099716 -0.2294691 0.0200741 -1.4824267 0.5703029 -0.1047599 0.4196098 -2.3659967 17 O -1.0803498 0.1481084 0.3888952 0.1542033 -1.3360569 -0.4382005 0.2980012 -0.3542106 -2.4068035 18 O -1.0803498 -0.1481084 0.3888952 -0.1542033 -1.3360569 0.4382005 0.2980012 0.3542106 -2.4068035 19 O -1.0803498 0.1481084 0.3888952 0.1542033 -1.3360569 -0.4382005 0.2980012 -0.3542106 -2.4068035 20 O -1.7926844 -0.7951419 -0.7155156 -0.5071012 -1.6237513 -0.5351175 -0.4602197 -0.5092874 -1.5976010 21 O -1.3243181 -0.2356116 0.1473505 -0.1745840 -2.0734040 0.6091812 0.1417944 0.5856045 -1.4463793 22 O -1.3243181 0.2356116 0.1473505 0.1745840 -2.0734040 -0.6091812 0.1417944 -0.5856045 -1.4463793 23 O -1.0803498 -0.1481084 0.3888952 -0.1542033 -1.3360569 0.4382005 0.2980012 0.3542106 -2.4068035 24 O -1.3243181 0.2356116 0.1473505 0.1745840 -2.0734040 -0.6091812 0.1417944 -0.5856045 -1.4463793 25 O -1.7926844 0.7951419 -0.7155156 0.5071012 -1.6237513 0.5351175 -0.4602197 0.5092874 -1.5976010 26 O -1.7926844 -0.7951419 -0.7155156 -0.5071012 -1.6237513 -0.5351175 -0.4602197 -0.5092874 -1.5976010 27 O -1.7926844 0.7951419 -0.7155156 0.5071012 -1.6237513 0.5351175 -0.4602197 0.5092874 -1.5976010 28 O -3.1056528 -0.2214177 -0.0882395 -0.3876380 -1.1657314 -0.0577925 -0.0506477 -0.0184651 -0.9897293 29 Na 1.1695649 -0.0099184 -0.0451032 -0.0045274 1.2050292 0.0195121 -0.0493539 -0.0750204 1.1386663 30 Na 1.1695649 0.0099184 -0.0451032 0.0045274 1.2050292 -0.0195121 -0.0493539 0.0750204 1.1386663 31 Na 1.1695649 0.0099184 -0.0451032 0.0045274 1.2050292 -0.0195121 -0.0493539 0.0750204 1.1386663 32 Na 1.1695649 -0.0099184 -0.0451032 -0.0045274 1.2050292 0.0195121 -0.0493539 -0.0750204 1.1386663 33 P 3.4964450 0.5383628 0.0225278 0.4500315 3.3283556 -0.3920555 -0.0191566 -0.1216570 3.5186246 34 P 3.4985652 -0.2823243 0.2377148 -0.2725176 3.3853875 0.3959173 -0.2730679 -0.0259753 3.4151654 35 P 3.4985652 0.2823243 0.2377148 0.2725176 3.3853875 -0.3959173 -0.2730679 0.0259753 3.4151654 36 P 3.4985652 -0.2823243 0.2377148 -0.2725176 3.3853875 0.3959173 -0.2730679 -0.0259753 3.4151654 37 P 3.4985652 0.2823243 0.2377148 0.2725176 3.3853875 -0.3959173 -0.2730679 0.0259753 3.4151654 38 P 3.4964450 0.5383628 0.0225278 0.4500315 3.3283556 -0.3920555 -0.0191566 -0.1216570 3.5186246 39 P 3.4964450 -0.5383628 0.0225278 -0.4500315 3.3283556 0.3920555 -0.0191566 0.1216570 3.5186246 40 P 3.4964450 -0.5383628 0.0225278 -0.4500315 3.3283556 0.3920555 -0.0191566 0.1216570 3.5186246 41 In 3.2127790 -0.0341820 -0.0627336 -0.0066058 3.4411003 0.4906767 0.1321129 -0.2907501 3.6950987 42 In 3.2127790 0.0341820 -0.0627336 0.0066058 3.4411003 -0.4906767 0.1321129 0.2907501 3.6950987 43 In 3.2127790 -0.0341820 -0.0627336 -0.0066058 3.4411003 0.4906767 0.1321129 -0.2907501 3.6950987 44 In 3.2127790 0.0341820 -0.0627336 0.0066058 3.4411003 -0.4906767 0.1321129 0.2907501 3.6950987 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] 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] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] Computing fc3[ 11, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] 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] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] Computing fc3[ 39, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] 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] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] 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] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] Computing fc3[ 67, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] 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] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:30:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:30:35]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.528109361079026 0.000000000000000 0.000000000000000 b 0.000000000000000 8.202143189999999 0.000000000000000 c -3.718331021642132 0.000000000000000 9.134675535466165 Atomic positions (fractional): 1 O 0.62537854740146 0.89117563288020 0.89404659584313 15.999 2 O 0.96839184671205 0.41112667019979 0.62718958189747 15.999 3 O 0.03160815328795 0.91112667019979 0.87281041810253 15.999 4 O 0.03160815328795 0.58887332980021 0.37281041810253 15.999 5 O 0.96839184671205 0.08887332980021 0.12718958189747 15.999 6 O 0.12873034511255 0.16450592806375 0.56621791984420 15.999 7 O 0.87126965488745 0.66450592806375 0.93378208015580 15.999 8 O 0.87126965488745 0.83549407193625 0.43378208015580 15.999 9 O 0.81857285437335 0.37113501195718 0.09226990436301 15.999 10 O 0.18142714562665 0.87113501195718 0.40773009563700 15.999 11 O 0.18142714562665 0.62886498804282 0.90773009563700 15.999 12 O 0.81857285437335 0.12886498804282 0.59226990436300 15.999 13 O 0.82423380067417 0.22350813409895 0.87354022471703 15.999 14 O 0.17576619932583 0.72350813409895 0.62645977528297 15.999 15 O 0.17576619932583 0.77649186590105 0.12645977528297 15.999 16 O 0.82423380067417 0.27649186590105 0.37354022471703 15.999 17 O 0.30049157230765 0.21194668901014 0.38687589213948 15.999 18 O 0.69950842769235 0.71194668901014 0.11312410786052 15.999 19 O 0.69950842769235 0.78805331098986 0.61312410786052 15.999 20 O 0.54011832997601 0.58804688694500 0.85418618154535 15.999 21 O 0.37462145259854 0.10882436711979 0.10595340415687 15.999 22 O 0.62537854740146 0.60882436711980 0.39404659584313 15.999 23 O 0.30049157230765 0.28805331098986 0.88687589213948 15.999 24 O 0.37462145259854 0.39117563288021 0.60595340415687 15.999 25 O 0.54011832997601 0.91195311305500 0.35418618154536 15.999 26 O 0.45988167002399 0.41195311305500 0.14581381845465 15.999 27 O 0.45988167002399 0.08804688694500 0.64581381845465 15.999 28 O 0.12873034511255 0.33549407193625 0.06621791984420 15.999 29 Na 0.71482959905637 0.47800344098712 0.71339016765715 22.990 30 Na 0.71482959905637 0.02199655901288 0.21339016765715 22.990 31 Na 0.28517040094363 0.97800344098712 0.78660983234285 22.990 32 Na 0.28517040094363 0.52199655901288 0.28660983234285 22.990 33 P 0.67293192352167 0.71589595523485 0.95186424921866 30.974 34 P 0.92507572190312 0.24794726359381 0.03847321931431 30.974 35 P 0.07492427809688 0.74794726359381 0.46152678068569 30.974 36 P 0.07492427809688 0.75205273640619 0.96152678068569 30.974 37 P 0.92507572190312 0.25205273640619 0.53847321931431 30.974 38 P 0.32706807647832 0.28410404476515 0.04813575078134 30.974 39 P 0.32706807647832 0.21589595523485 0.54813575078134 30.974 40 P 0.67293192352167 0.78410404476515 0.45186424921866 30.974 41 In 0.25342956148770 0.50343851277530 0.75066334466124 114.818 42 In 0.74657043851230 0.00343851277529 0.74933665533876 114.818 43 In 0.74657043851230 0.49656148722471 0.24933665533875 114.818 44 In 0.25342956148770 0.99656148722470 0.25066334466125 114.818 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.056218722158052 0.000000000000000 0.000000000000000 b 0.000000000000000 8.202143189999999 0.000000000000000 c -3.718331021642132 0.000000000000000 9.134675535466165 Atomic positions (fractional): 1 O 0.31268927370073 0.89117563288020 0.89404659584313 15.999 > 1 2 O 0.81268927370073 0.89117563288020 0.89404659584313 15.999 > 1 3 O 0.48419592335602 0.41112667019979 0.62718958189747 15.999 > 3 4 O 0.98419592335602 0.41112667019979 0.62718958189747 15.999 > 3 5 O 0.01580407664398 0.91112667019979 0.87281041810253 15.999 > 5 6 O 0.51580407664398 0.91112667019979 0.87281041810253 15.999 > 5 7 O 0.01580407664398 0.58887332980021 0.37281041810253 15.999 > 7 8 O 0.51580407664398 0.58887332980021 0.37281041810253 15.999 > 7 9 O 0.48419592335602 0.08887332980021 0.12718958189747 15.999 > 9 10 O 0.98419592335602 0.08887332980021 0.12718958189747 15.999 > 9 11 O 0.06436517255628 0.16450592806375 0.56621791984420 15.999 > 11 12 O 0.56436517255628 0.16450592806375 0.56621791984420 15.999 > 11 13 O 0.43563482744372 0.66450592806375 0.93378208015580 15.999 > 13 14 O 0.93563482744372 0.66450592806375 0.93378208015580 15.999 > 13 15 O 0.43563482744372 0.83549407193625 0.43378208015580 15.999 > 15 16 O 0.93563482744372 0.83549407193625 0.43378208015580 15.999 > 15 17 O 0.40928642718668 0.37113501195718 0.09226990436301 15.999 > 17 18 O 0.90928642718668 0.37113501195718 0.09226990436301 15.999 > 17 19 O 0.09071357281332 0.87113501195718 0.40773009563700 15.999 > 19 20 O 0.59071357281332 0.87113501195718 0.40773009563700 15.999 > 19 21 O 0.09071357281332 0.62886498804282 0.90773009563700 15.999 > 21 22 O 0.59071357281332 0.62886498804282 0.90773009563700 15.999 > 21 23 O 0.40928642718668 0.12886498804282 0.59226990436300 15.999 > 23 24 O 0.90928642718668 0.12886498804282 0.59226990436300 15.999 > 23 25 O 0.41211690033708 0.22350813409895 0.87354022471703 15.999 > 25 26 O 0.91211690033708 0.22350813409895 0.87354022471703 15.999 > 25 27 O 0.08788309966292 0.72350813409895 0.62645977528297 15.999 > 27 28 O 0.58788309966292 0.72350813409895 0.62645977528297 15.999 > 27 29 O 0.08788309966292 0.77649186590105 0.12645977528297 15.999 > 29 30 O 0.58788309966292 0.77649186590105 0.12645977528297 15.999 > 29 31 O 0.41211690033708 0.27649186590105 0.37354022471703 15.999 > 31 32 O 0.91211690033708 0.27649186590105 0.37354022471703 15.999 > 31 33 O 0.15024578615383 0.21194668901014 0.38687589213948 15.999 > 33 34 O 0.65024578615383 0.21194668901014 0.38687589213948 15.999 > 33 35 O 0.34975421384617 0.71194668901014 0.11312410786052 15.999 > 35 36 O 0.84975421384617 0.71194668901014 0.11312410786052 15.999 > 35 37 O 0.34975421384617 0.78805331098986 0.61312410786052 15.999 > 37 38 O 0.84975421384617 0.78805331098986 0.61312410786052 15.999 > 37 39 O 0.27005916498800 0.58804688694500 0.85418618154535 15.999 > 39 40 O 0.77005916498800 0.58804688694500 0.85418618154535 15.999 > 39 41 O 0.18731072629927 0.10882436711979 0.10595340415687 15.999 > 41 42 O 0.68731072629927 0.10882436711979 0.10595340415687 15.999 > 41 43 O 0.31268927370073 0.60882436711980 0.39404659584313 15.999 > 43 44 O 0.81268927370073 0.60882436711980 0.39404659584313 15.999 > 43 45 O 0.15024578615383 0.28805331098986 0.88687589213948 15.999 > 45 46 O 0.65024578615383 0.28805331098986 0.88687589213948 15.999 > 45 47 O 0.18731072629927 0.39117563288021 0.60595340415687 15.999 > 47 48 O 0.68731072629927 0.39117563288021 0.60595340415687 15.999 > 47 49 O 0.27005916498800 0.91195311305500 0.35418618154536 15.999 > 49 50 O 0.77005916498800 0.91195311305500 0.35418618154536 15.999 > 49 51 O 0.22994083501200 0.41195311305500 0.14581381845465 15.999 > 51 52 O 0.72994083501200 0.41195311305500 0.14581381845465 15.999 > 51 53 O 0.22994083501200 0.08804688694500 0.64581381845465 15.999 > 53 54 O 0.72994083501200 0.08804688694500 0.64581381845465 15.999 > 53 55 O 0.06436517255628 0.33549407193625 0.06621791984420 15.999 > 55 56 O 0.56436517255628 0.33549407193625 0.06621791984420 15.999 > 55 57 Na 0.35741479952818 0.47800344098712 0.71339016765715 22.990 > 57 58 Na 0.85741479952818 0.47800344098712 0.71339016765715 22.990 > 57 59 Na 0.35741479952818 0.02199655901288 0.21339016765715 22.990 > 59 60 Na 0.85741479952818 0.02199655901288 0.21339016765715 22.990 > 59 61 Na 0.14258520047182 0.97800344098712 0.78660983234285 22.990 > 61 62 Na 0.64258520047182 0.97800344098712 0.78660983234285 22.990 > 61 63 Na 0.14258520047182 0.52199655901288 0.28660983234285 22.990 > 63 64 Na 0.64258520047182 0.52199655901288 0.28660983234285 22.990 > 63 65 P 0.33646596176084 0.71589595523485 0.95186424921866 30.974 > 65 66 P 0.83646596176084 0.71589595523485 0.95186424921866 30.974 > 65 67 P 0.46253786095156 0.24794726359381 0.03847321931431 30.974 > 67 68 P 0.96253786095156 0.24794726359381 0.03847321931431 30.974 > 67 69 P 0.03746213904844 0.74794726359381 0.46152678068569 30.974 > 69 70 P 0.53746213904844 0.74794726359381 0.46152678068569 30.974 > 69 71 P 0.03746213904844 0.75205273640619 0.96152678068569 30.974 > 71 72 P 0.53746213904844 0.75205273640619 0.96152678068569 30.974 > 71 73 P 0.46253786095156 0.25205273640619 0.53847321931431 30.974 > 73 74 P 0.96253786095156 0.25205273640619 0.53847321931431 30.974 > 73 75 P 0.16353403823916 0.28410404476515 0.04813575078134 30.974 > 75 76 P 0.66353403823916 0.28410404476515 0.04813575078134 30.974 > 75 77 P 0.16353403823916 0.21589595523485 0.54813575078134 30.974 > 77 78 P 0.66353403823916 0.21589595523485 0.54813575078134 30.974 > 77 79 P 0.33646596176084 0.78410404476515 0.45186424921866 30.974 > 79 80 P 0.83646596176084 0.78410404476515 0.45186424921866 30.974 > 79 81 In 0.12671478074385 0.50343851277530 0.75066334466124 114.818 > 81 82 In 0.62671478074385 0.50343851277530 0.75066334466124 114.818 > 81 83 In 0.37328521925615 0.00343851277529 0.74933665533876 114.818 > 83 84 In 0.87328521925615 0.00343851277529 0.74933665533876 114.818 > 83 85 In 0.37328521925615 0.49656148722471 0.24933665533875 114.818 > 85 86 In 0.87328521925615 0.49656148722471 0.24933665533875 114.818 > 85 87 In 0.12671478074385 0.99656148722470 0.25066334466125 114.818 > 87 88 In 0.62671478074385 0.99656148722470 0.25066334466125 114.818 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7105352 0.0000000 -0.0104758 0.0000000 2.7575505 0.0000000 -0.0104750 0.0000000 2.8093316 -------------------------- Born effective charges -------------------------- 1 O -1.3243181 -0.2356116 0.1473505 -0.1745840 -2.0734040 0.6091812 0.1417944 0.5856045 -1.4463793 2 O -1.2736174 -0.1898276 -0.1831096 -0.2006929 -1.8515092 -0.5250331 -0.1711506 -0.5258736 -1.5454383 3 O -1.2736174 0.1898276 -0.1831096 0.2006929 -1.8515092 0.5250331 -0.1711506 0.5258736 -1.5454383 4 O -1.2736174 -0.1898276 -0.1831096 -0.2006929 -1.8515092 -0.5250331 -0.1711506 -0.5258736 -1.5454383 5 O -1.2736174 0.1898276 -0.1831096 0.2006929 -1.8515092 0.5250331 -0.1711506 0.5258736 -1.5454383 6 O -3.1056528 0.2214177 -0.0882395 0.3876380 -1.1657314 0.0577925 -0.0506477 0.0184651 -0.9897293 7 O -3.1056528 -0.2214177 -0.0882395 -0.3876380 -1.1657314 -0.0577925 -0.0506477 -0.0184651 -0.9897293 8 O -3.1056528 0.2214177 -0.0882395 0.3876380 -1.1657314 0.0577925 -0.0506477 0.0184651 -0.9897293 9 O -1.7855045 0.8416995 0.5276823 0.7638747 -1.8269931 -0.4889673 0.5564477 -0.4474779 -1.4156069 10 O -1.7855045 -0.8416995 0.5276823 -0.7638747 -1.8269931 0.4889673 0.5564477 0.4474779 -1.4156069 11 O -1.7855045 0.8416995 0.5276823 0.7638747 -1.8269931 -0.4889673 0.5564477 -0.4474779 -1.4156069 12 O -1.7855045 -0.8416995 0.5276823 -0.7638747 -1.8269931 0.4889673 0.5564477 0.4474779 -1.4156069 13 O -1.0152272 -0.0099716 -0.2294691 -0.0200741 -1.4824267 -0.5703029 -0.1047599 -0.4196098 -2.3659967 14 O -1.0152272 0.0099716 -0.2294691 0.0200741 -1.4824267 0.5703029 -0.1047599 0.4196098 -2.3659967 15 O -1.0152272 -0.0099716 -0.2294691 -0.0200741 -1.4824267 -0.5703029 -0.1047599 -0.4196098 -2.3659967 16 O -1.0152272 0.0099716 -0.2294691 0.0200741 -1.4824267 0.5703029 -0.1047599 0.4196098 -2.3659967 17 O -1.0803498 0.1481084 0.3888952 0.1542033 -1.3360569 -0.4382005 0.2980012 -0.3542106 -2.4068035 18 O -1.0803498 -0.1481084 0.3888952 -0.1542033 -1.3360569 0.4382005 0.2980012 0.3542106 -2.4068035 19 O -1.0803498 0.1481084 0.3888952 0.1542033 -1.3360569 -0.4382005 0.2980012 -0.3542106 -2.4068035 20 O -1.7926844 -0.7951419 -0.7155156 -0.5071012 -1.6237513 -0.5351175 -0.4602197 -0.5092874 -1.5976010 21 O -1.3243181 -0.2356116 0.1473505 -0.1745840 -2.0734040 0.6091812 0.1417944 0.5856045 -1.4463793 22 O -1.3243181 0.2356116 0.1473505 0.1745840 -2.0734040 -0.6091812 0.1417944 -0.5856045 -1.4463793 23 O -1.0803498 -0.1481084 0.3888952 -0.1542033 -1.3360569 0.4382005 0.2980012 0.3542106 -2.4068035 24 O -1.3243181 0.2356116 0.1473505 0.1745840 -2.0734040 -0.6091812 0.1417944 -0.5856045 -1.4463793 25 O -1.7926844 0.7951419 -0.7155156 0.5071012 -1.6237513 0.5351175 -0.4602197 0.5092874 -1.5976010 26 O -1.7926844 -0.7951419 -0.7155156 -0.5071012 -1.6237513 -0.5351175 -0.4602197 -0.5092874 -1.5976010 27 O -1.7926844 0.7951419 -0.7155156 0.5071012 -1.6237513 0.5351175 -0.4602197 0.5092874 -1.5976010 28 O -3.1056528 -0.2214177 -0.0882395 -0.3876380 -1.1657314 -0.0577925 -0.0506477 -0.0184651 -0.9897293 29 Na 1.1695649 -0.0099184 -0.0451032 -0.0045274 1.2050292 0.0195121 -0.0493539 -0.0750204 1.1386663 30 Na 1.1695649 0.0099184 -0.0451032 0.0045274 1.2050292 -0.0195121 -0.0493539 0.0750204 1.1386663 31 Na 1.1695649 0.0099184 -0.0451032 0.0045274 1.2050292 -0.0195121 -0.0493539 0.0750204 1.1386663 32 Na 1.1695649 -0.0099184 -0.0451032 -0.0045274 1.2050292 0.0195121 -0.0493539 -0.0750204 1.1386663 33 P 3.4964450 0.5383628 0.0225278 0.4500315 3.3283556 -0.3920555 -0.0191566 -0.1216570 3.5186246 34 P 3.4985652 -0.2823243 0.2377148 -0.2725176 3.3853875 0.3959173 -0.2730679 -0.0259753 3.4151654 35 P 3.4985652 0.2823243 0.2377148 0.2725176 3.3853875 -0.3959173 -0.2730679 0.0259753 3.4151654 36 P 3.4985652 -0.2823243 0.2377148 -0.2725176 3.3853875 0.3959173 -0.2730679 -0.0259753 3.4151654 37 P 3.4985652 0.2823243 0.2377148 0.2725176 3.3853875 -0.3959173 -0.2730679 0.0259753 3.4151654 38 P 3.4964450 0.5383628 0.0225278 0.4500315 3.3283556 -0.3920555 -0.0191566 -0.1216570 3.5186246 39 P 3.4964450 -0.5383628 0.0225278 -0.4500315 3.3283556 0.3920555 -0.0191566 0.1216570 3.5186246 40 P 3.4964450 -0.5383628 0.0225278 -0.4500315 3.3283556 0.3920555 -0.0191566 0.1216570 3.5186246 41 In 3.2127790 -0.0341820 -0.0627336 -0.0066058 3.4411003 0.4906767 0.1321129 -0.2907501 3.6950987 42 In 3.2127790 0.0341820 -0.0627336 0.0066058 3.4411003 -0.4906767 0.1321129 0.2907501 3.6950987 43 In 3.2127790 -0.0341820 -0.0627336 -0.0066058 3.4411003 0.4906767 0.1321129 -0.2907501 3.6950987 44 In 3.2127790 0.0341820 -0.0627336 0.0066058 3.4411003 -0.4906767 0.1321129 0.2907501 3.6950987 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 6 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.50, Number of G-points: 307, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 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 1.863 ( 0.000 0.000 0.000) 0.000 2.045 ( 0.000 0.000 0.000) 0.000 2.118 ( 0.000 0.000 0.000) 0.000 2.148 ( 0.000 0.000 0.000) 0.000 2.219 ( 0.000 0.000 0.000) 0.000 2.437 ( 0.000 0.000 0.000) 0.000 2.463 ( 0.000 0.000 0.000) 0.000 2.489 ( 0.000 0.000 0.000) 0.000 2.603 ( 0.000 0.000 0.000) 0.000 2.893 ( 0.000 0.000 0.000) 0.000 3.042 ( 0.000 0.000 0.000) 0.000 3.203 ( 0.000 0.000 0.000) 0.000 3.299 ( 0.000 0.000 0.000) 0.000 3.566 ( 0.000 0.000 0.000) 0.000 3.657 ( 0.000 0.000 0.000) 0.000 3.720 ( 0.000 0.000 0.000) 0.000 3.833 ( 0.000 0.000 0.000) 0.000 3.968 ( 0.000 0.000 0.000) 0.000 4.052 ( 0.000 0.000 0.000) 0.000 4.115 ( 0.000 0.000 0.000) 0.000 4.209 ( 0.000 0.000 0.000) 0.000 4.323 ( 0.000 0.000 0.000) 0.000 4.380 ( 0.000 0.000 0.000) 0.000 4.483 ( 0.000 0.000 0.000) 0.000 4.533 ( 0.000 0.000 0.000) 0.000 4.539 ( 0.000 0.000 0.000) 0.000 4.557 ( 0.000 0.000 0.000) 0.000 4.570 ( 0.000 0.000 0.000) 0.000 4.570 ( 0.000 0.000 0.000) 0.000 4.951 ( 0.000 0.000 0.000) 0.000 4.967 ( 0.000 0.000 0.000) 0.000 5.050 ( 0.000 0.000 0.000) 0.000 5.091 ( 0.000 0.000 0.000) 0.000 5.165 ( 0.000 0.000 0.000) 0.000 5.260 ( 0.000 0.000 0.000) 0.000 5.446 ( 0.000 0.000 0.000) 0.000 5.496 ( 0.000 0.000 0.000) 0.000 5.583 ( 0.000 0.000 0.000) 0.000 5.731 ( 0.000 0.000 0.000) 0.000 5.807 ( 0.000 0.000 0.000) 0.000 5.824 ( 0.000 0.000 0.000) 0.000 6.298 ( 0.000 0.000 0.000) 0.000 6.319 ( 0.000 0.000 0.000) 0.000 6.331 ( 0.000 0.000 0.000) 0.000 6.412 ( 0.000 0.000 0.000) 0.000 6.959 ( 0.000 0.000 0.000) 0.000 7.068 ( 0.000 0.000 0.000) 0.000 7.203 ( 0.000 0.000 0.000) 0.000 7.275 ( 0.000 0.000 0.000) 0.000 7.510 ( 0.000 0.000 0.000) 0.000 7.519 ( 0.000 0.000 0.000) 0.000 7.544 ( 0.000 0.000 0.000) 0.000 7.939 ( 0.000 0.000 0.000) 0.000 8.535 ( 0.000 0.000 0.000) 0.000 8.708 ( 0.000 0.000 0.000) 0.000 9.191 ( 0.000 0.000 0.000) 0.000 9.513 ( 0.000 0.000 0.000) 0.000 9.691 ( 0.000 0.000 0.000) 0.000 9.792 ( 0.000 0.000 0.000) 0.000 9.849 ( 0.000 0.000 0.000) 0.000 10.114 ( 0.000 0.000 0.000) 0.000 10.424 ( 0.000 0.000 0.000) 0.000 10.528 ( 0.000 0.000 0.000) 0.000 10.608 ( 0.000 0.000 0.000) 0.000 10.769 ( 0.000 0.000 0.000) 0.000 11.410 ( 0.000 0.000 0.000) 0.000 11.488 ( 0.000 0.000 0.000) 0.000 11.710 ( 0.000 0.000 0.000) 0.000 11.729 ( 0.000 0.000 0.000) 0.000 12.206 ( 0.000 0.000 0.000) 0.000 12.352 ( 0.000 0.000 0.000) 0.000 12.539 ( 0.000 0.000 0.000) 0.000 12.580 ( 0.000 0.000 0.000) 0.000 13.721 ( 0.000 0.000 0.000) 0.000 13.746 ( 0.000 0.000 0.000) 0.000 13.838 ( 0.000 0.000 0.000) 0.000 13.858 ( 0.000 0.000 0.000) 0.000 14.698 ( 0.000 0.000 0.000) 0.000 14.712 ( 0.000 0.000 0.000) 0.000 14.738 ( 0.000 0.000 0.000) 0.000 14.747 ( 0.000 0.000 0.000) 0.000 15.061 ( 0.000 0.000 0.000) 0.000 15.165 ( 0.000 0.000 0.000) 0.000 15.267 ( 0.000 0.000 0.000) 0.000 15.277 ( 0.000 0.000 0.000) 0.000 15.813 ( 0.000 0.000 0.000) 0.000 15.949 ( 0.000 0.000 0.000) 0.000 15.983 ( 0.000 0.000 0.000) 0.000 16.015 ( 0.000 0.000 0.000) 0.000 16.669 ( 0.000 0.000 0.000) 0.000 16.843 ( 0.000 0.000 0.000) 0.000 16.882 ( 0.000 0.000 0.000) 0.000 17.173 ( 0.000 0.000 0.000) 0.000 17.520 ( 0.000 0.000 0.000) 0.000 17.628 ( 0.000 0.000 0.000) 0.000 17.679 ( 0.000 0.000 0.000) 0.000 17.782 ( 0.000 0.000 0.000) 0.000 20.860 ( 0.000 0.000 0.000) 0.000 20.930 ( 0.000 0.000 0.000) 0.000 21.121 ( 0.000 0.000 0.000) 0.000 21.295 ( 0.000 0.000 0.000) 0.000 26.907 ( 0.000 0.000 0.000) 0.000 26.976 ( 0.000 0.000 0.000) 0.000 27.401 ( 0.000 0.000 0.000) 0.000 27.479 ( 0.000 0.000 0.000) 0.000 29.409 ( 0.000 0.000 0.000) 0.000 29.423 ( 0.000 0.000 0.000) 0.000 29.541 ( 0.000 0.000 0.000) 0.000 29.564 ( 0.000 0.000 0.000) 0.000 29.962 ( 0.000 0.000 0.000) 0.000 30.163 ( 0.000 0.000 0.000) 0.000 30.598 ( 0.000 0.000 0.000) 0.000 30.685 ( 0.000 0.000 0.000) 0.000 31.124 ( 0.000 0.000 0.000) 0.000 31.284 ( 0.000 0.000 0.000) 0.000 31.471 ( 0.000 0.000 0.000) 0.000 31.603 ( 0.000 0.000 0.000) 0.000 31.608 ( 0.000 0.000 0.000) 0.000 32.283 ( 0.000 0.000 0.000) 0.000 32.578 ( 0.000 0.000 0.000) 0.000 32.593 ( 0.000 0.000 0.000) 0.000 33.149 ( 0.000 0.000 0.000) 0.000 33.585 ( 0.000 0.000 0.000) 0.000 33.774 ( 0.000 0.000 0.000) 0.000 33.867 ( 0.000 0.000 0.000) 0.000 34.338 ( 0.000 0.000 0.000) 0.000 35.263 ( 0.000 0.000 0.000) 0.000 36.041 ( 0.000 0.000 0.000) 0.000 36.134 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( 24.754 0.000 15.140) 29.017 0.639 ( 25.513 0.000 18.030) 31.240 1.153 ( 51.917 0.000 16.117) 54.361 1.939 ( 5.807 0.000 2.062) 6.163 2.063 ( -2.398 0.000 2.081) 3.175 2.189 ( -2.545 0.000 -6.174) 6.678 2.215 ( 3.646 0.000 1.037) 3.791 2.219 ( 4.126 0.000 5.236) 6.666 2.269 ( -2.914 0.000 0.497) 2.956 2.522 ( 2.787 0.000 -6.453) 7.029 2.696 ( 7.775 0.000 8.203) 11.303 2.725 ( 14.880 0.000 -5.964) 16.030 3.020 ( -1.920 0.000 2.281) 2.982 3.026 ( 12.701 0.000 4.803) 13.579 3.164 ( -2.151 0.000 0.590) 2.230 3.329 ( -0.718 0.000 1.050) 1.272 3.562 ( 0.702 0.000 -3.201) 3.278 3.655 ( 3.094 0.000 2.642) 4.069 3.737 ( -6.136 0.000 -5.999) 8.581 3.815 ( 8.611 0.000 0.671) 8.637 3.935 ( -6.512 0.000 -8.347) 10.587 4.025 ( 3.062 0.000 -1.245) 3.306 4.086 ( -2.166 0.000 1.754) 2.787 4.223 ( 0.550 0.000 -0.848) 1.011 4.354 ( -7.248 0.000 -7.002) 10.078 4.389 ( 4.997 0.000 0.614) 5.035 4.429 ( -5.571 0.000 8.097) 9.829 4.498 ( -1.011 0.000 -2.225) 2.444 4.585 ( 0.382 0.000 3.065) 3.089 4.637 ( 1.386 0.000 5.466) 5.638 4.649 ( 4.067 0.000 10.051) 10.843 4.783 ( 10.032 0.000 6.141) 11.762 4.887 ( -2.816 0.000 -8.804) 9.243 4.920 ( -1.164 0.000 1.150) 1.637 5.024 ( -1.417 0.000 0.322) 1.453 5.205 ( 6.236 0.000 -6.803) 9.229 5.216 ( 3.371 0.000 0.991) 3.514 5.319 ( -4.532 0.000 -7.430) 8.703 5.431 ( -2.584 0.000 -1.778) 3.137 5.538 ( 0.715 0.000 4.325) 4.384 5.578 ( -1.433 0.000 1.944) 2.415 5.720 ( -6.004 0.000 -0.563) 6.030 5.817 ( -2.908 0.000 -0.365) 2.931 6.081 ( -16.221 0.000 20.686) 26.287 6.256 ( -4.035 0.000 -3.741) 5.502 6.311 ( 0.060 0.000 -4.420) 4.420 6.439 ( 1.791 0.000 0.169) 1.799 6.655 ( -3.208 0.000 -2.318) 3.958 6.933 ( 3.202 0.000 -14.288) 14.643 7.117 ( 3.814 0.000 -0.065) 3.815 7.200 ( -0.852 0.000 1.596) 1.809 7.280 ( 0.390 0.000 -2.697) 2.725 7.441 ( -1.640 0.000 -5.873) 6.098 7.581 ( -11.415 0.000 14.614) 18.544 7.647 ( 2.447 0.000 6.734) 7.165 7.894 ( -4.174 0.000 1.833) 4.559 8.538 ( -0.700 0.000 2.823) 2.909 8.741 ( -0.479 0.000 4.880) 4.904 9.197 ( -0.059 0.000 1.616) 1.617 9.492 ( -1.548 0.000 -1.023) 1.856 9.723 ( -6.043 0.000 -2.213) 6.436 9.744 ( 4.029 0.000 2.263) 4.621 9.898 ( 3.096 0.000 3.176) 4.435 10.063 ( -4.593 0.000 -0.803) 4.663 10.372 ( -5.588 0.000 5.070) 7.545 10.550 ( -5.503 0.000 -0.618) 5.537 10.560 ( 1.525 0.000 -0.394) 1.575 10.690 ( -6.585 0.000 -0.468) 6.601 11.440 ( 2.520 0.000 0.749) 2.628 11.557 ( 5.595 0.000 1.169) 5.716 11.703 ( 1.352 0.000 -4.022) 4.243 11.758 ( 0.801 0.000 2.699) 2.815 12.210 ( 0.459 0.000 0.143) 0.481 12.386 ( -3.337 0.000 -1.250) 3.563 12.537 ( -1.130 0.000 1.189) 1.641 12.558 ( -2.062 0.000 -0.569) 2.139 13.722 ( -1.708 0.000 -0.009) 1.708 13.736 ( 1.205 0.000 -0.864) 1.483 13.847 ( 0.780 0.000 0.335) 0.849 13.892 ( 2.681 0.000 -0.179) 2.687 14.685 ( -1.114 0.000 0.310) 1.156 14.735 ( 2.241 0.000 -1.039) 2.471 14.867 ( 8.046 0.000 -0.548) 8.064 15.029 ( 4.980 0.000 -10.033) 11.201 15.079 ( 0.911 0.000 1.686) 1.916 15.187 ( 3.113 0.000 -2.320) 3.882 15.319 ( 4.866 0.000 -0.385) 4.881 15.522 ( -1.015 0.000 4.351) 4.468 15.961 ( 1.469 0.000 0.074) 1.471 16.004 ( 2.561 0.000 -4.420) 5.108 16.044 ( 3.043 0.000 2.659) 4.041 16.283 ( -1.504 0.000 5.065) 5.283 16.720 ( 4.052 0.000 2.331) 4.674 16.884 ( -0.175 0.000 1.022) 1.037 16.922 ( 2.950 0.000 -7.668) 8.216 17.141 ( -2.366 0.000 -1.480) 2.791 17.639 ( -1.437 0.000 1.715) 2.238 17.700 ( 4.290 0.000 -1.102) 4.429 17.763 ( -1.498 0.000 -0.849) 1.722 17.923 ( 7.439 0.000 -22.903) 24.081 20.835 ( -2.613 0.000 0.548) 2.670 20.896 ( -3.782 0.000 -1.351) 4.016 21.097 ( -1.310 0.000 -2.617) 2.926 21.253 ( -4.334 0.000 0.258) 4.341 26.997 ( 2.626 0.000 -1.327) 2.943 27.459 ( 4.963 0.000 1.730) 5.256 27.460 ( -0.020 0.000 -5.158) 5.158 28.283 ( 19.603 0.000 -44.950) 49.039 29.432 ( 2.243 0.000 0.196) 2.252 29.433 ( 1.128 0.000 -0.374) 1.188 29.572 ( 3.238 0.000 -0.479) 3.273 29.960 ( -0.198 0.000 -0.074) 0.211 30.029 ( 12.392 0.000 -30.627) 33.038 30.181 ( 2.000 0.000 -5.559) 5.908 30.586 ( -1.066 0.000 -0.316) 1.111 30.680 ( -0.735 0.000 0.806) 1.090 31.131 ( -0.244 0.000 2.276) 2.289 31.268 ( 0.446 0.000 -4.556) 4.577 31.487 ( 2.451 0.000 -2.248) 3.326 31.645 ( 2.195 0.000 4.815) 5.291 31.657 ( 2.334 0.000 6.074) 6.507 32.464 ( -4.077 0.000 -5.394) 6.762 32.734 ( 5.314 0.000 9.131) 10.565 32.782 ( -27.870 0.000 63.108) 68.989 33.163 ( 0.646 0.000 1.755) 1.870 33.601 ( 1.999 0.000 -1.184) 2.323 33.772 ( 0.124 0.000 -0.968) 0.976 34.310 ( -2.147 0.000 -1.527) 2.634 34.936 ( -10.958 0.000 29.709) 31.665 35.295 ( 8.457 0.000 -21.429) 23.037 35.935 ( -7.004 0.000 -3.887) 8.010 36.161 ( -1.127 0.000 4.682) 4.815 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 21.448 0.000 10.486) 23.874 1.225 ( 21.906 0.000 15.321) 26.732 1.947 ( 1.208 0.000 1.216) 1.714 2.058 ( 1.357 0.000 3.089) 3.373 2.098 ( -1.293 0.000 -2.949) 3.220 2.163 ( 14.738 0.000 11.087) 18.443 2.266 ( 16.785 0.000 0.781) 16.803 2.270 ( 0.345 0.000 3.027) 3.047 2.357 ( 3.968 0.000 6.465) 7.586 2.565 ( 7.449 0.000 -0.500) 7.465 2.768 ( -2.178 0.000 -12.235) 12.427 2.932 ( 9.022 0.000 6.480) 11.108 3.060 ( 0.208 0.000 0.929) 0.952 3.163 ( 4.838 0.000 -2.092) 5.271 3.319 ( 0.774 0.000 0.281) 0.823 3.349 ( 12.073 0.000 -4.090) 12.746 3.524 ( -2.202 0.000 -7.191) 7.521 3.664 ( 5.646 0.000 4.803) 7.413 3.791 ( -3.222 0.000 3.434) 4.709 3.802 ( -0.722 0.000 -10.128) 10.154 3.922 ( 2.823 0.000 4.747) 5.523 4.059 ( 6.114 0.000 -3.533) 7.062 4.067 ( 0.468 0.000 4.010) 4.037 4.202 ( 1.573 0.000 0.377) 1.617 4.252 ( 3.103 0.000 -6.801) 7.475 4.371 ( -2.804 0.000 1.425) 3.145 4.464 ( 1.198 0.000 -5.751) 5.874 4.465 ( 1.500 0.000 -1.313) 1.993 4.612 ( -1.804 0.000 5.337) 5.634 4.699 ( 1.902 0.000 2.441) 3.094 4.753 ( 0.927 0.000 -2.949) 3.092 4.823 ( -2.885 0.000 2.392) 3.747 4.875 ( 4.106 0.000 5.254) 6.669 5.018 ( 3.819 0.000 -3.714) 5.327 5.074 ( 5.197 0.000 2.359) 5.707 5.141 ( -6.808 0.000 -3.410) 7.615 5.256 ( -2.655 0.000 -1.016) 2.843 5.284 ( 3.985 0.000 0.962) 4.099 5.426 ( 6.535 0.000 1.766) 6.769 5.539 ( -1.062 0.000 -3.195) 3.367 5.557 ( -3.873 0.000 4.600) 6.014 5.599 ( -6.873 0.000 0.282) 6.879 5.723 ( -5.583 0.000 -0.540) 5.609 5.867 ( -17.375 0.000 10.571) 20.338 6.129 ( -5.831 0.000 -3.487) 6.794 6.276 ( -0.927 0.000 -2.683) 2.838 6.471 ( 1.673 0.000 -0.318) 1.703 6.583 ( -2.003 0.000 -1.310) 2.393 6.897 ( 0.104 0.000 -3.364) 3.365 7.185 ( 2.620 0.000 -8.788) 9.170 7.198 ( -1.464 0.000 3.515) 3.808 7.210 ( -2.580 0.000 -0.330) 2.601 7.357 ( -2.381 0.000 -6.448) 6.873 7.476 ( -6.602 0.000 4.758) 8.138 7.672 ( -4.123 0.000 5.446) 6.831 7.884 ( 1.679 0.000 1.637) 2.345 8.556 ( 0.377 0.000 2.819) 2.844 8.763 ( 0.734 0.000 -0.743) 1.045 9.210 ( -0.209 0.000 2.370) 2.379 9.446 ( -2.839 0.000 0.233) 2.849 9.563 ( -7.637 0.000 -2.258) 7.964 9.848 ( 3.945 0.000 2.463) 4.651 9.957 ( -4.184 0.000 -2.232) 4.742 9.979 ( 2.079 0.000 2.523) 3.269 10.346 ( -1.017 0.000 5.424) 5.519 10.412 ( -7.845 0.000 0.779) 7.884 10.562 ( -0.434 0.000 -1.301) 1.372 10.571 ( -4.293 0.000 -2.206) 4.827 11.499 ( 2.843 0.000 0.554) 2.896 11.675 ( 4.728 0.000 1.967) 5.121 11.705 ( 2.030 0.000 -3.891) 4.389 11.782 ( -0.823 0.000 3.118) 3.225 12.231 ( 1.588 0.000 0.625) 1.707 12.325 ( -1.373 0.000 -1.315) 1.901 12.497 ( -3.413 0.000 -1.233) 3.629 12.510 ( -2.340 0.000 0.772) 2.464 13.696 ( -1.051 0.000 0.272) 1.085 13.757 ( 1.574 0.000 -0.986) 1.857 13.869 ( 0.933 0.000 0.795) 1.226 13.934 ( 1.888 0.000 -0.591) 1.978 14.700 ( 1.832 0.000 0.690) 1.958 14.762 ( 1.430 0.000 -1.238) 1.892 15.010 ( 6.284 0.000 -0.822) 6.338 15.051 ( 2.754 0.000 -3.638) 4.562 15.119 ( 2.207 0.000 2.077) 3.031 15.232 ( 3.053 0.000 -2.328) 3.839 15.401 ( 3.527 0.000 -0.981) 3.661 15.546 ( 0.582 0.000 2.084) 2.164 16.011 ( 3.249 0.000 0.871) 3.364 16.011 ( 1.207 0.000 -2.607) 2.873 16.144 ( 5.208 0.000 0.222) 5.213 16.298 ( -0.317 0.000 3.154) 3.170 16.827 ( 3.553 0.000 3.177) 4.766 16.890 ( -0.289 0.000 1.415) 1.444 16.927 ( 2.914 0.000 -3.912) 4.878 17.081 ( -2.168 0.000 -1.873) 2.865 17.607 ( -2.239 0.000 0.924) 2.422 17.727 ( -1.358 0.000 -0.288) 1.389 17.808 ( 6.495 0.000 -0.000) 6.495 17.872 ( 0.794 0.000 -10.330) 10.360 20.780 ( -3.342 0.000 0.883) 3.457 20.800 ( -5.095 0.000 0.008) 5.095 21.041 ( -1.862 0.000 -3.213) 3.714 21.151 ( -5.781 0.000 -0.295) 5.789 27.051 ( 3.898 0.000 -1.007) 4.026 27.400 ( -1.195 0.000 -7.022) 7.123 27.583 ( 5.585 0.000 1.976) 5.924 28.315 ( 9.227 0.000 -17.995) 20.223 29.457 ( 1.561 0.000 -0.352) 1.601 29.489 ( 3.225 0.000 0.362) 3.245 29.642 ( 4.137 0.000 -0.663) 4.190 29.953 ( -0.366 0.000 -0.157) 0.398 30.025 ( 4.391 0.000 -11.624) 12.426 30.176 ( 0.489 0.000 -1.697) 1.766 30.556 ( -1.610 0.000 -0.418) 1.663 30.672 ( -0.765 0.000 1.099) 1.339 31.148 ( -0.604 0.000 3.891) 3.937 31.240 ( 0.924 0.000 -5.729) 5.803 31.520 ( 2.671 0.000 -2.510) 3.666 31.746 ( 3.710 0.000 5.942) 7.006 31.769 ( 3.353 0.000 7.452) 8.171 32.342 ( -4.721 0.000 -4.355) 6.423 32.729 ( -11.244 0.000 19.955) 22.905 32.926 ( 6.544 0.000 10.124) 12.055 33.194 ( 1.118 0.000 1.385) 1.779 33.636 ( 2.635 0.000 -1.801) 3.191 33.759 ( -0.311 0.000 -2.136) 2.159 34.245 ( -2.941 0.000 -1.721) 3.408 34.962 ( -3.579 0.000 12.304) 12.814 35.288 ( 2.919 0.000 -8.293) 8.792 35.761 ( -7.676 0.000 -2.916) 8.211 36.152 ( -2.953 0.000 3.754) 4.776 ======================= Grid point 3 (4/72) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 9.892 0.000 3.269) 10.418 1.647 ( 10.565 0.000 7.352) 12.872 1.893 ( -1.973 0.000 0.005) 1.973 2.071 ( -1.322 0.000 1.113) 1.728 2.103 ( 1.700 0.000 1.293) 2.136 2.178 ( -0.737 0.000 -0.873) 1.142 2.325 ( 1.696 0.000 9.093) 9.250 2.443 ( 1.642 0.000 0.051) 1.643 2.549 ( -7.857 0.000 -13.377) 15.514 2.609 ( 4.174 0.000 5.702) 7.066 2.833 ( 8.290 0.000 -0.083) 8.291 3.042 ( -0.878 0.000 -0.043) 0.879 3.162 ( 8.763 0.000 11.853) 14.740 3.259 ( 5.914 0.000 -0.477) 5.934 3.370 ( 3.582 0.000 0.531) 3.621 3.388 ( 0.547 0.000 -7.259) 7.279 3.471 ( 1.316 0.000 -5.947) 6.091 3.542 ( -13.272 0.000 -2.880) 13.580 3.712 ( -0.932 0.000 -2.388) 2.563 3.828 ( 6.018 0.000 -2.077) 6.366 4.056 ( 1.535 0.000 2.055) 2.566 4.132 ( -0.456 0.000 0.202) 0.499 4.262 ( 9.603 0.000 9.995) 13.861 4.280 ( 8.831 0.000 3.579) 9.529 4.328 ( -2.151 0.000 -2.153) 3.044 4.341 ( 4.341 0.000 -2.892) 5.216 4.431 ( -2.251 0.000 -5.051) 5.530 4.509 ( 8.543 0.000 -7.403) 11.304 4.577 ( -6.169 0.000 4.697) 7.753 4.692 ( -4.778 0.000 -1.309) 4.955 4.731 ( 1.724 0.000 2.897) 3.371 4.849 ( 2.653 0.000 2.153) 3.417 4.899 ( -9.514 0.000 -5.571) 11.025 4.989 ( 5.517 0.000 3.071) 6.314 5.097 ( -2.772 0.000 0.850) 2.900 5.144 ( 8.558 0.000 -3.374) 9.199 5.279 ( 4.908 0.000 -5.312) 7.232 5.331 ( -2.685 0.000 6.717) 7.234 5.428 ( -14.319 0.000 10.650) 17.846 5.439 ( -8.662 0.000 0.956) 8.714 5.485 ( -0.116 0.000 -6.974) 6.975 5.586 ( 4.914 0.000 2.147) 5.363 5.637 ( -2.380 0.000 -0.471) 2.427 5.721 ( -1.189 0.000 0.086) 1.192 6.024 ( -2.253 0.000 -1.235) 2.570 6.236 ( -1.521 0.000 -0.367) 1.564 6.492 ( 0.616 0.000 -0.139) 0.632 6.571 ( 0.877 0.000 -0.660) 1.098 6.887 ( -0.455 0.000 2.266) 2.311 7.035 ( -3.855 0.000 -7.546) 8.474 7.190 ( -2.014 0.000 2.539) 3.241 7.270 ( 3.263 0.000 -0.737) 3.345 7.280 ( -0.693 0.000 -3.251) 3.324 7.406 ( -3.579 0.000 2.168) 4.184 7.644 ( -1.342 0.000 1.778) 2.227 7.922 ( 0.854 0.000 0.379) 0.935 8.589 ( 0.987 0.000 1.263) 1.603 8.752 ( -0.663 0.000 -1.185) 1.358 9.223 ( 0.013 0.000 1.137) 1.137 9.400 ( -1.928 0.000 0.686) 2.046 9.444 ( -3.037 0.000 -0.756) 3.130 9.875 ( -0.846 0.000 -0.640) 1.061 9.927 ( 0.744 0.000 0.078) 0.748 10.006 ( -0.020 0.000 0.661) 0.662 10.315 ( -2.653 0.000 1.001) 2.836 10.396 ( 1.300 0.000 3.477) 3.712 10.496 ( -1.738 0.000 -1.544) 2.324 10.535 ( -0.859 0.000 -1.476) 1.708 11.544 ( 1.239 0.000 0.200) 1.255 11.715 ( 1.371 0.000 -2.327) 2.701 11.747 ( 1.558 0.000 0.988) 1.845 11.778 ( -1.259 0.000 1.926) 2.301 12.278 ( 2.137 0.000 0.914) 2.324 12.314 ( 0.375 0.000 -0.414) 0.559 12.422 ( -2.829 0.000 -1.204) 3.075 12.473 ( -1.505 0.000 0.242) 1.524 13.685 ( -0.332 0.000 0.151) 0.365 13.774 ( 0.726 0.000 -0.528) 0.898 13.888 ( 0.419 0.000 0.499) 0.651 13.954 ( 0.629 0.000 -0.316) 0.704 14.741 ( 1.303 0.000 0.508) 1.398 14.772 ( 0.381 0.000 -0.525) 0.649 15.067 ( 1.126 0.000 -0.645) 1.298 15.071 ( 1.062 0.000 -1.029) 1.479 15.195 ( 2.835 0.000 1.896) 3.410 15.253 ( 0.652 0.000 -1.712) 1.832 15.437 ( 1.004 0.000 -0.398) 1.080 15.562 ( 0.140 0.000 0.379) 0.404 16.012 ( 0.378 0.000 -0.988) 1.058 16.074 ( 1.939 0.000 0.663) 2.049 16.216 ( 2.080 0.000 -0.133) 2.084 16.314 ( 0.019 0.000 1.239) 1.239 16.869 ( 0.206 0.000 0.612) 0.646 16.893 ( -0.240 0.000 0.673) 0.714 16.976 ( 2.490 0.000 -0.581) 2.557 17.043 ( -0.615 0.000 -0.872) 1.067 17.581 ( -0.900 0.000 0.357) 0.968 17.721 ( 0.301 0.000 1.254) 1.290 17.805 ( -1.089 0.000 -4.685) 4.810 17.909 ( 3.197 0.000 0.169) 3.202 20.726 ( -2.240 0.000 0.152) 2.245 20.737 ( -1.480 0.000 0.518) 1.569 20.993 ( -0.885 0.000 -1.439) 1.690 21.059 ( -2.785 0.000 -0.420) 2.817 27.117 ( 2.598 0.000 0.383) 2.626 27.322 ( -1.581 0.000 -3.939) 4.244 27.672 ( 2.246 0.000 0.793) 2.382 28.345 ( 3.106 0.000 -5.275) 6.122 29.479 ( 0.743 0.000 -0.122) 0.753 29.543 ( 1.669 0.000 0.238) 1.686 29.700 ( 1.889 0.000 -0.304) 1.914 29.946 ( -0.215 0.000 -0.096) 0.236 30.018 ( 1.076 0.000 -3.463) 3.626 30.175 ( 0.122 0.000 -0.283) 0.308 30.528 ( -0.847 0.000 -0.197) 0.869 30.669 ( -0.287 0.000 0.523) 0.597 31.164 ( -0.544 0.000 2.809) 2.861 31.219 ( 0.708 0.000 -3.447) 3.519 31.542 ( 1.031 0.000 -1.071) 1.487 31.852 ( 2.666 0.000 3.197) 4.163 31.869 ( 1.765 0.000 3.535) 3.951 32.233 ( -3.016 0.000 -2.397) 3.853 32.678 ( -3.543 0.000 4.564) 5.777 33.097 ( 3.563 0.000 5.392) 6.462 33.219 ( 0.615 0.000 0.393) 0.729 33.664 ( 1.394 0.000 -1.278) 1.891 33.731 ( -0.720 0.000 -1.462) 1.630 34.190 ( -1.434 0.000 -0.703) 1.597 34.983 ( -0.867 0.000 3.742) 3.841 35.280 ( 0.735 0.000 -2.436) 2.545 35.633 ( -3.420 0.000 -1.111) 3.596 36.125 ( -1.527 0.000 1.418) 2.084 ======================= Grid point 7 (5/72) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( 0.000 30.270 0.000) 30.270 0.732 ( 0.000 31.790 0.000) 31.790 0.834 ( 0.000 40.246 0.000) 40.246 1.865 ( 0.000 0.978 0.000) 0.978 2.031 ( 0.000 -1.519 0.000) 1.519 2.157 ( 0.000 -0.196 0.000) 0.196 2.205 ( 0.000 7.807 0.000) 7.807 2.336 ( 0.000 -4.461 0.000) 4.461 2.345 ( 0.000 -5.276 0.000) 5.276 2.574 ( 0.000 -2.592 0.000) 2.592 2.627 ( 0.000 -0.159 0.000) 0.159 2.629 ( 0.000 2.024 0.000) 2.024 2.912 ( 0.000 -6.883 0.000) 6.883 2.988 ( 0.000 11.822 0.000) 11.822 3.242 ( 0.000 1.512 0.000) 1.512 3.309 ( 0.000 -0.312 0.000) 0.312 3.572 ( 0.000 -12.102 0.000) 12.102 3.653 ( 0.000 0.112 0.000) 0.112 3.749 ( 0.000 12.087 0.000) 12.087 3.761 ( 0.000 -6.668 0.000) 6.668 3.908 ( 0.000 -4.924 0.000) 4.924 4.077 ( 0.000 2.309 0.000) 2.309 4.117 ( 0.000 -6.462 0.000) 6.462 4.201 ( 0.000 1.445 0.000) 1.445 4.331 ( 0.000 -3.726 0.000) 3.726 4.339 ( 0.000 -6.609 0.000) 6.609 4.398 ( 0.000 -1.166 0.000) 1.166 4.400 ( 0.000 -1.038 0.000) 1.038 4.550 ( 0.000 5.070 0.000) 5.070 4.667 ( 0.000 3.837 0.000) 3.837 4.734 ( 0.000 8.219 0.000) 8.219 4.899 ( 0.000 -2.177 0.000) 2.177 4.972 ( 0.000 -0.989 0.000) 0.989 5.033 ( 0.000 -1.502 0.000) 1.502 5.095 ( 0.000 0.797 0.000) 0.797 5.175 ( 0.000 2.037 0.000) 2.037 5.275 ( 0.000 1.351 0.000) 1.351 5.405 ( 0.000 -1.968 0.000) 1.968 5.449 ( 0.000 1.682 0.000) 1.682 5.483 ( 0.000 -3.169 0.000) 3.169 5.580 ( 0.000 -0.697 0.000) 0.697 5.676 ( 0.000 -5.295 0.000) 5.295 5.745 ( 0.000 -6.946 0.000) 6.946 5.817 ( 0.000 0.485 0.000) 0.485 6.184 ( 0.000 -7.741 0.000) 7.741 6.402 ( 0.000 -2.051 0.000) 2.051 6.437 ( 0.000 4.971 0.000) 4.971 6.476 ( 0.000 4.027 0.000) 4.027 6.952 ( 0.000 -0.818 0.000) 0.818 7.044 ( 0.000 -2.428 0.000) 2.428 7.218 ( 0.000 -3.200 0.000) 3.200 7.355 ( 0.000 -8.345 0.000) 8.345 7.408 ( 0.000 6.731 0.000) 6.731 7.642 ( 0.000 3.480 0.000) 3.480 7.803 ( 0.000 0.874 0.000) 0.874 7.937 ( 0.000 -0.338 0.000) 0.338 8.582 ( 0.000 4.464 0.000) 4.464 8.762 ( 0.000 4.476 0.000) 4.476 9.338 ( 0.000 2.356 0.000) 2.356 9.494 ( 0.000 -1.467 0.000) 1.467 9.809 ( 0.000 1.558 0.000) 1.558 9.842 ( 0.000 1.120 0.000) 1.120 9.903 ( 0.000 3.197 0.000) 3.197 10.101 ( 0.000 -1.203 0.000) 1.203 10.392 ( 0.000 -3.100 0.000) 3.100 10.461 ( 0.000 -6.165 0.000) 6.165 10.772 ( 0.000 0.251 0.000) 0.251 10.793 ( 0.000 -0.375 0.000) 0.375 11.469 ( 0.000 -1.143 0.000) 1.143 11.475 ( 0.000 -1.125 0.000) 1.125 11.716 ( 0.000 0.431 0.000) 0.431 11.731 ( 0.000 0.075 0.000) 0.075 12.307 ( 0.000 -0.830 0.000) 0.830 12.335 ( 0.000 -1.493 0.000) 1.493 12.531 ( 0.000 -0.785 0.000) 0.785 12.546 ( 0.000 -2.804 0.000) 2.804 13.741 ( 0.000 1.661 0.000) 1.661 13.763 ( 0.000 1.636 0.000) 1.636 13.839 ( 0.000 0.043 0.000) 0.043 13.877 ( 0.000 -0.683 0.000) 0.683 14.670 ( 0.000 -1.610 0.000) 1.610 14.713 ( 0.000 -0.192 0.000) 0.192 14.780 ( 0.000 0.113 0.000) 0.113 14.782 ( 0.000 2.327 0.000) 2.327 15.016 ( 0.000 -3.436 0.000) 3.436 15.100 ( 0.000 -4.540 0.000) 4.540 15.318 ( 0.000 2.986 0.000) 2.986 15.318 ( 0.000 3.215 0.000) 3.215 15.824 ( 0.000 1.070 0.000) 1.070 15.941 ( 0.000 -0.667 0.000) 0.667 15.989 ( 0.000 0.231 0.000) 0.231 15.997 ( 0.000 -1.321 0.000) 1.321 16.697 ( 0.000 2.618 0.000) 2.618 16.871 ( 0.000 2.006 0.000) 2.006 17.128 ( 0.000 0.004 0.000) 0.004 17.168 ( 0.000 -0.452 0.000) 0.452 17.461 ( 0.000 -3.866 0.000) 3.866 17.602 ( 0.000 -6.974 0.000) 6.974 17.768 ( 0.000 6.768 0.000) 6.768 17.911 ( 0.000 6.433 0.000) 6.433 20.946 ( 0.000 1.504 0.000) 1.504 21.059 ( 0.000 -0.157 0.000) 0.157 21.123 ( 0.000 0.236 0.000) 0.236 21.275 ( 0.000 -1.884 0.000) 1.884 26.926 ( 0.000 1.975 0.000) 1.975 27.014 ( 0.000 3.496 0.000) 3.496 27.352 ( 0.000 -4.497 0.000) 4.497 27.508 ( 0.000 -4.395 0.000) 4.395 29.419 ( 0.000 0.951 0.000) 0.951 29.431 ( 0.000 0.688 0.000) 0.688 29.551 ( 0.000 0.724 0.000) 0.724 29.564 ( 0.000 0.012 0.000) 0.012 30.186 ( 0.000 2.021 0.000) 2.021 30.381 ( 0.000 -3.898 0.000) 3.898 30.658 ( 0.000 3.836 0.000) 3.836 30.685 ( 0.000 0.174 0.000) 0.174 31.163 ( 0.000 3.647 0.000) 3.647 31.286 ( 0.000 0.301 0.000) 0.301 31.569 ( 0.000 -2.795 0.000) 2.795 31.594 ( 0.000 -0.930 0.000) 0.930 31.814 ( 0.000 4.286 0.000) 4.286 32.250 ( 0.000 -3.040 0.000) 3.040 32.664 ( 0.000 7.883 0.000) 7.883 33.145 ( 0.000 0.061 0.000) 0.061 33.240 ( 0.000 3.741 0.000) 3.741 33.569 ( 0.000 -1.624 0.000) 1.624 33.843 ( 0.000 -2.148 0.000) 2.148 34.239 ( 0.000 -8.938 0.000) 8.938 34.818 ( 0.000 3.740 0.000) 3.740 35.231 ( 0.000 -3.086 0.000) 3.086 36.157 ( 0.000 2.206 0.000) 2.206 36.607 ( 0.000 -4.873 0.000) 4.873 ======================= Grid point 8 (6/72) ======================= q-point: ( 0.14 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 16.519 17.312 9.470) 25.735 1.012 ( 15.536 29.640 7.406) 34.274 1.403 ( 41.023 18.810 14.692) 47.461 1.938 ( 4.828 0.976 3.577) 6.088 2.036 ( 0.889 -1.120 -0.806) 1.641 2.148 ( -3.685 -1.469 -1.546) 4.257 2.223 ( 2.128 0.365 -1.158) 2.450 2.267 ( -0.088 2.736 2.885) 3.977 2.488 ( -0.518 13.540 -1.605) 13.645 2.546 ( 3.305 -5.687 2.351) 6.985 2.608 ( 9.369 1.466 -6.052) 11.249 2.796 ( 14.553 0.560 -0.380) 14.569 2.909 ( 1.191 -7.828 -0.895) 7.968 3.021 ( 4.896 3.016 2.788) 6.390 3.203 ( -3.166 2.757 2.908) 5.107 3.378 ( 1.878 3.264 1.803) 4.175 3.538 ( -2.144 -6.199 -1.249) 6.677 3.651 ( 0.626 1.618 -5.950) 6.197 3.720 ( 5.583 -6.694 -2.088) 8.963 3.793 ( -1.448 2.634 6.064) 6.768 3.889 ( -1.813 -4.799 -5.924) 7.837 4.050 ( -2.946 3.781 -0.131) 4.795 4.110 ( -0.820 -1.504 0.814) 1.897 4.133 ( -1.674 -4.671 0.209) 4.967 4.305 ( -1.149 -1.323 -5.414) 5.691 4.337 ( 2.082 -5.092 1.232) 5.637 4.458 ( 2.872 1.712 4.454) 5.569 4.496 ( 3.336 1.490 -1.742) 4.048 4.604 ( 2.023 -0.478 1.605) 2.626 4.653 ( 0.093 2.386 -1.763) 2.968 4.778 ( -5.654 3.122 5.151) 8.261 4.820 ( 5.320 3.164 4.034) 7.388 4.898 ( -2.687 0.763 -5.977) 6.597 4.996 ( -0.308 -2.175 -0.914) 2.379 5.003 ( -8.210 7.931 1.549) 11.520 5.204 ( 4.185 0.959 -6.313) 7.635 5.255 ( 4.847 2.465 3.831) 6.652 5.346 ( -5.881 1.087 -4.570) 7.526 5.422 ( -2.105 0.173 -2.831) 3.532 5.524 ( 1.412 -2.779 -0.071) 3.117 5.567 ( -1.097 -1.436 0.847) 1.996 5.639 ( -4.571 -5.555 1.019) 7.265 5.747 ( -1.979 -6.150 0.290) 6.467 5.974 ( -2.782 -6.885 11.758) 13.906 6.200 ( -2.271 -4.931 3.401) 6.406 6.375 ( -2.497 3.652 -1.658) 4.724 6.423 ( -3.029 -6.184 3.700) 7.818 6.513 ( 7.310 -0.104 -8.206) 10.990 6.903 ( -3.654 -0.021 1.725) 4.041 7.082 ( 3.245 -2.736 0.414) 4.265 7.234 ( 0.111 -2.268 0.823) 2.415 7.295 ( 0.023 0.094 -9.764) 9.765 7.454 ( -1.192 -2.428 5.399) 6.039 7.573 ( -2.525 7.410 -5.601) 9.626 7.731 ( -7.005 2.103 7.874) 10.747 7.895 ( -4.266 -0.227 1.737) 4.612 8.571 ( -1.543 3.608 2.268) 4.532 8.777 ( 0.898 3.204 0.190) 3.333 9.273 ( -3.512 4.114 -0.911) 5.485 9.484 ( -1.800 -0.758 0.890) 2.146 9.750 ( -5.449 2.737 -0.916) 6.167 9.811 ( -0.966 4.766 -0.713) 4.915 9.903 ( 3.610 0.880 1.948) 4.195 10.065 ( -3.243 -0.193 -1.256) 3.484 10.326 ( -5.446 -3.543 3.828) 7.541 10.493 ( 1.148 -6.095 -0.277) 6.208 10.608 ( -9.623 3.013 -1.092) 10.143 10.697 ( -6.560 0.400 -0.865) 6.629 11.451 ( 1.708 0.309 1.095) 2.052 11.564 ( 4.369 -0.233 0.648) 4.423 11.713 ( 1.918 0.521 -3.311) 3.862 11.755 ( 1.274 0.120 0.954) 1.596 12.219 ( -1.498 0.618 -0.625) 1.737 12.347 ( -2.412 -3.006 -0.378) 3.872 12.525 ( -1.231 -1.223 0.495) 1.805 12.534 ( -1.560 -2.038 -0.171) 2.572 13.741 ( -1.299 1.607 -0.152) 2.072 13.757 ( 0.391 1.758 -0.723) 1.940 13.846 ( 0.733 -0.101 0.343) 0.815 13.885 ( 1.974 -0.735 -0.224) 2.118 14.666 ( -0.667 -1.025 0.320) 1.264 14.747 ( 1.437 -0.770 -1.592) 2.279 14.817 ( 8.309 -1.865 -0.968) 8.571 14.997 ( 5.579 -3.278 -1.684) 6.687 15.081 ( 4.552 -0.324 -0.928) 4.657 15.141 ( 4.289 -3.172 -1.761) 5.617 15.346 ( 4.022 2.135 -0.689) 4.605 15.482 ( 5.015 -2.299 4.295) 6.991 15.925 ( 2.449 -4.121 2.500) 5.406 15.990 ( 2.560 -1.927 -1.849) 3.699 16.022 ( 6.571 -3.466 -0.264) 7.433 16.064 ( 6.622 -3.561 4.215) 8.620 16.747 ( 4.322 2.564 1.534) 5.254 16.880 ( 1.281 2.179 -1.026) 2.727 17.038 ( -3.176 3.994 -1.645) 5.362 17.167 ( -1.455 1.254 -1.413) 2.384 17.527 ( 3.068 -7.020 0.052) 7.661 17.636 ( 1.725 -6.239 -1.959) 6.763 17.806 ( 4.494 3.683 -3.647) 6.860 17.932 ( 3.044 4.611 -2.890) 6.235 20.887 ( -6.948 2.159 1.299) 7.391 20.918 ( -6.527 1.967 -2.107) 7.136 21.097 ( -1.815 0.152 -1.701) 2.492 21.235 ( -4.170 -1.720 0.345) 4.524 27.019 ( 2.192 2.135 -1.286) 3.320 27.294 ( 9.152 -11.106 -4.368) 15.040 27.467 ( 5.181 -2.542 1.113) 5.877 27.703 ( 28.596 -22.742 -6.376) 37.089 29.442 ( 1.268 0.851 -0.231) 1.544 29.444 ( 2.269 1.071 0.163) 2.515 29.579 ( 2.964 0.517 -0.399) 3.035 29.659 ( 7.767 -4.877 0.328) 9.177 30.187 ( -0.093 2.234 0.340) 2.262 30.313 ( -2.410 1.802 -8.583) 9.096 30.622 ( -1.902 3.255 -1.935) 4.237 30.684 ( -0.222 0.334 -0.323) 0.515 31.167 ( -0.360 3.471 2.118) 4.082 31.274 ( 0.407 0.573 -3.743) 3.808 31.581 ( 2.491 -0.263 -0.701) 2.601 31.651 ( 2.722 0.295 4.288) 5.087 31.774 ( 0.407 9.200 -3.456) 9.836 32.298 ( -1.267 -8.095 7.897) 11.380 32.690 ( -0.031 5.477 5.884) 8.038 33.068 ( -8.416 6.342 6.774) 12.528 33.239 ( -0.960 6.468 4.997) 8.229 33.588 ( 1.241 -1.717 1.007) 2.346 33.786 ( -2.183 0.289 -2.280) 3.169 34.262 ( 1.151 -6.764 -1.673) 7.062 34.825 ( -3.265 -2.314 10.889) 11.601 35.230 ( 1.741 -4.283 -5.274) 7.014 36.071 ( -9.429 3.848 -3.345) 10.719 36.300 ( -14.327 6.875 -0.171) 15.892 ======================= Grid point 9 (7/72) ======================= q-point: ( 0.29 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 18.250 3.965 11.739) 22.058 1.386 ( 14.620 18.965 10.137) 26.003 1.997 ( -0.589 2.086 -1.532) 2.654 2.016 ( 1.302 0.154 6.605) 6.734 2.076 ( 0.086 -0.223 -2.734) 2.744 2.264 ( 1.875 1.668 -3.447) 4.264 2.280 ( 20.252 5.002 11.408) 23.776 2.338 ( 8.645 5.467 4.065) 11.007 2.517 ( 1.653 -0.016 -2.989) 3.416 2.544 ( 6.237 12.058 5.118) 14.508 2.775 ( 5.577 1.755 -2.363) 6.306 2.936 ( 7.571 -2.132 0.106) 7.866 3.007 ( 5.523 -0.971 -1.170) 5.729 3.180 ( 1.105 -0.670 0.250) 1.316 3.319 ( 4.915 2.257 2.379) 5.908 3.372 ( 8.119 -0.026 -4.773) 9.418 3.540 ( 3.301 0.984 -5.387) 6.394 3.631 ( 1.382 -2.630 1.047) 3.150 3.739 ( -4.457 -1.107 -0.952) 4.690 3.766 ( -3.076 -5.788 -8.769) 10.948 3.888 ( 5.148 -7.673 6.200) 11.127 3.981 ( -0.234 0.466 -0.374) 0.642 4.118 ( -0.057 -4.006 2.915) 4.954 4.192 ( 6.790 3.992 3.640) 8.677 4.256 ( 0.454 0.944 -5.320) 5.423 4.414 ( 4.142 -1.730 -2.430) 5.104 4.459 ( -1.805 2.125 -2.125) 3.506 4.492 ( 0.385 4.374 -7.694) 8.859 4.578 ( 0.947 -2.294 2.075) 3.235 4.692 ( -1.742 -0.821 4.246) 4.662 4.785 ( -0.770 1.563 -0.754) 1.898 4.830 ( -0.313 2.080 4.972) 5.399 4.922 ( -1.361 3.312 1.973) 4.088 4.992 ( 3.075 -2.312 -2.865) 4.797 5.044 ( 9.000 -4.375 2.757) 10.380 5.148 ( -8.266 0.510 -3.522) 9.000 5.223 ( -0.269 -2.119 -2.618) 3.379 5.307 ( -4.897 0.947 2.016) 5.379 5.425 ( 3.430 -1.309 4.570) 5.862 5.496 ( 3.154 -3.214 -11.302) 12.166 5.550 ( -2.720 -1.035 3.230) 4.348 5.583 ( -5.240 0.786 5.027) 7.304 5.675 ( -4.959 -3.055 -1.397) 5.990 5.902 ( -10.548 0.283 9.362) 14.106 6.097 ( -8.594 -0.316 1.125) 8.673 6.305 ( -2.093 2.397 -3.675) 4.862 6.379 ( -3.099 -7.769 1.973) 8.594 6.589 ( 5.255 -1.667 -4.637) 7.204 6.873 ( -1.258 0.203 2.005) 2.376 7.165 ( 2.903 -1.873 2.006) 3.994 7.199 ( -0.815 0.145 -9.462) 9.498 7.219 ( -2.350 -0.456 0.260) 2.407 7.409 ( -2.958 2.828 -1.284) 4.289 7.506 ( -3.738 4.720 0.034) 6.021 7.679 ( -4.010 0.383 4.284) 5.881 7.860 ( 0.009 -2.175 1.494) 2.639 8.566 ( -0.711 1.295 2.339) 2.767 8.780 ( -0.319 0.843 -1.739) 1.959 9.231 ( -0.850 2.116 0.142) 2.285 9.443 ( -3.207 0.055 1.598) 3.583 9.620 ( -6.395 4.804 -0.999) 8.061 9.845 ( 2.550 0.592 1.499) 3.016 9.969 ( -2.470 0.836 -1.622) 3.071 9.997 ( 1.501 1.318 1.229) 2.345 10.287 ( -2.320 -4.312 5.680) 7.499 10.433 ( -6.653 0.724 -1.144) 6.789 10.499 ( -0.985 -5.198 -0.956) 5.376 10.573 ( -4.372 -0.188 -2.070) 4.840 11.505 ( 2.649 0.232 0.784) 2.772 11.638 ( 2.561 -1.875 0.799) 3.273 11.730 ( 1.264 0.143 -1.698) 2.122 11.789 ( 1.566 1.189 0.975) 2.195 12.221 ( 1.399 -0.880 0.264) 1.673 12.300 ( -1.190 -2.189 -0.968) 2.673 12.474 ( -3.246 -1.932 -1.188) 3.960 12.502 ( -2.321 -0.890 0.843) 2.624 13.708 ( -1.381 1.103 -0.161) 1.775 13.771 ( 0.908 1.175 -0.371) 1.530 13.868 ( 0.982 -0.084 0.830) 1.289 13.917 ( 1.600 -1.557 -0.744) 2.353 14.688 ( 1.947 -0.731 0.834) 2.240 14.762 ( 1.018 -0.479 -0.922) 1.455 14.951 ( 6.427 -2.369 -1.440) 6.999 15.092 ( 3.705 -2.346 1.902) 4.780 15.120 ( 2.965 3.360 -3.087) 5.442 15.205 ( 3.331 -2.187 -1.609) 4.297 15.421 ( 3.380 1.705 -0.737) 3.856 15.544 ( 0.854 -0.185 1.339) 1.599 15.982 ( 2.813 -2.169 1.293) 3.780 16.011 ( 1.942 -0.133 -2.093) 2.858 16.131 ( 5.146 -1.505 -0.154) 5.364 16.201 ( 2.891 -6.735 3.666) 8.195 16.852 ( 4.070 1.810 1.813) 4.809 16.901 ( 1.454 3.335 -0.486) 3.670 17.005 ( 0.144 4.449 -0.127) 4.453 17.121 ( -1.692 2.951 -1.461) 3.702 17.548 ( -0.698 -4.969 -0.207) 5.022 17.638 ( 0.467 -5.077 -0.844) 5.168 17.859 ( 4.248 3.970 -4.339) 7.255 17.962 ( 2.648 5.737 -2.455) 6.778 20.771 ( -5.233 -0.608 1.206) 5.404 20.797 ( -5.941 -0.265 -0.201) 5.951 21.039 ( -2.306 0.015 -2.214) 3.197 21.139 ( -5.412 -1.152 -0.129) 5.535 27.063 ( 3.300 1.092 -1.197) 3.676 27.322 ( 0.362 -6.245 -5.424) 8.280 27.573 ( 5.889 -1.139 0.279) 6.005 28.066 ( 14.666 -18.468 -7.580) 24.772 29.468 ( 1.599 1.006 -0.368) 1.925 29.501 ( 3.051 1.092 0.362) 3.261 29.644 ( 3.840 0.040 -0.542) 3.878 29.804 ( 6.945 -5.727 -0.017) 9.002 30.186 ( -1.195 5.135 -1.095) 5.385 30.199 ( -1.833 3.496 -5.644) 6.887 30.571 ( -2.070 1.591 -1.132) 2.846 30.675 ( -0.554 0.030 0.213) 0.594 31.181 ( -0.587 3.176 3.666) 4.886 31.252 ( 1.020 1.165 -5.153) 5.381 31.633 ( 3.582 5.910 -3.158) 7.598 31.736 ( 2.342 0.789 5.554) 6.079 31.820 ( 3.279 4.269 4.284) 6.880 32.286 ( -3.215 -5.173 0.961) 6.166 32.717 ( -3.684 1.879 7.986) 8.993 33.025 ( -0.876 5.178 6.498) 8.355 33.272 ( 1.119 7.189 2.195) 7.600 33.622 ( 1.313 -1.663 0.998) 2.342 33.749 ( 0.381 -0.296 -3.866) 3.896 34.244 ( -1.161 -1.405 -1.689) 2.485 34.864 ( -0.765 -6.690 8.241) 10.642 35.212 ( 0.377 -6.163 -4.227) 7.482 35.826 ( -10.499 4.652 -3.131) 11.903 36.157 ( -5.575 -0.352 2.739) 6.222 ======================= Grid point 10 (8/72) ======================= q-point: ( 0.43 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 7.379 -2.342 11.097) 13.530 1.657 ( 7.447 8.892 -1.090) 11.649 1.939 ( 2.140 3.673 -4.546) 6.224 2.036 ( -4.938 3.719 5.035) 7.973 2.116 ( 2.401 -0.027 2.085) 3.180 2.242 ( -0.218 4.652 -3.874) 6.058 2.392 ( 0.684 3.921 8.250) 9.160 2.499 ( -1.539 -1.864 -4.199) 4.845 2.534 ( 4.705 3.879 3.230) 6.901 2.692 ( -0.440 10.484 -3.732) 11.137 2.975 ( 6.779 2.304 3.734) 8.075 3.046 ( 0.739 6.844 -3.200) 7.591 3.118 ( 5.341 -2.359 7.243) 9.303 3.252 ( 8.577 -2.270 1.236) 8.959 3.323 ( 1.212 -0.092 -5.327) 5.464 3.402 ( 2.162 0.087 1.523) 2.646 3.480 ( -4.553 1.006 -7.350) 8.705 3.567 ( -9.062 -0.177 -4.805) 10.258 3.707 ( 0.450 0.297 -0.326) 0.631 3.787 ( 7.394 -2.574 0.097) 7.829 4.021 ( 1.464 -2.155 1.513) 3.013 4.071 ( 6.011 -10.509 5.280) 13.209 4.168 ( 0.826 0.212 0.167) 0.869 4.211 ( 0.924 -11.121 -0.729) 11.183 4.389 ( 4.585 4.863 4.456) 8.033 4.420 ( 1.437 5.137 -0.370) 5.348 4.426 ( 3.447 2.013 -8.567) 9.451 4.524 ( 5.145 2.281 -3.304) 6.526 4.565 ( -3.980 -0.089 0.709) 4.044 4.642 ( -5.499 -0.739 2.611) 6.132 4.777 ( 3.542 -3.221 -2.123) 5.237 4.878 ( 0.227 3.481 5.346) 6.384 4.895 ( -6.670 -1.096 -3.049) 7.416 4.985 ( 3.273 -0.707 -0.657) 3.412 5.089 ( 1.880 -2.274 1.186) 3.180 5.126 ( -0.038 1.445 -3.302) 3.605 5.230 ( -1.359 -8.461 6.266) 10.616 5.288 ( 3.920 -1.163 -1.449) 4.338 5.405 ( -5.792 -3.555 -2.688) 7.308 5.452 ( -3.005 -1.865 1.535) 3.855 5.501 ( -6.570 1.133 2.251) 7.036 5.560 ( -1.647 -1.209 -0.510) 2.105 5.579 ( 0.666 1.697 0.276) 1.844 5.817 ( -1.990 4.788 2.187) 5.627 5.986 ( -2.468 -1.649 0.006) 2.968 6.248 ( -1.659 0.797 -0.735) 1.982 6.351 ( -0.642 -7.735 -0.114) 7.763 6.634 ( 1.863 -1.392 -1.447) 2.739 6.881 ( -0.120 2.248 3.202) 3.914 7.061 ( -2.745 1.849 -6.985) 7.729 7.165 ( -1.740 -1.934 0.085) 2.603 7.295 ( 4.414 2.953 3.383) 6.297 7.368 ( 0.303 4.666 -2.933) 5.520 7.419 ( -5.089 2.864 0.325) 5.848 7.649 ( -1.362 0.577 1.521) 2.121 7.883 ( 0.702 -3.682 0.434) 3.773 8.579 ( 0.341 -0.762 1.120) 1.397 8.744 ( -1.301 -1.258 -1.428) 2.305 9.230 ( 0.321 1.862 -0.017) 1.890 9.401 ( -2.049 0.143 1.372) 2.470 9.526 ( -2.457 6.648 -0.415) 7.100 9.879 ( -0.334 0.491 0.856) 1.042 9.916 ( -0.376 0.370 -1.216) 1.325 10.031 ( 0.501 0.660 0.594) 1.020 10.294 ( -1.538 -1.956 2.141) 3.283 10.358 ( -0.433 -2.627 1.112) 2.886 10.462 ( -1.395 -4.017 -1.719) 4.586 10.514 ( -0.798 -1.303 -0.933) 1.790 11.549 ( 1.210 0.170 0.273) 1.252 11.677 ( 1.388 -3.428 -0.091) 3.700 11.723 ( -0.853 -0.145 -0.043) 0.866 11.822 ( 0.944 2.154 0.399) 2.385 12.266 ( 2.373 -1.156 0.780) 2.752 12.289 ( 0.264 -2.092 -0.468) 2.160 12.400 ( -2.968 -1.768 -1.080) 3.619 12.466 ( -1.418 -0.743 0.302) 1.630 13.690 ( -0.421 0.570 -0.016) 0.709 13.780 ( 0.276 0.465 -0.237) 0.590 13.890 ( 0.506 0.024 0.475) 0.695 13.933 ( 0.544 -1.923 -0.370) 2.032 14.732 ( 1.536 -0.601 0.793) 1.830 14.765 ( -0.089 -0.652 -0.541) 0.852 15.042 ( 3.860 -0.722 -0.358) 3.943 15.096 ( -1.176 1.140 -0.961) 1.899 15.194 ( 2.653 -0.301 0.644) 2.747 15.240 ( 1.316 -1.301 -0.942) 2.077 15.455 ( 0.911 1.582 -0.282) 1.847 15.554 ( -0.104 -0.721 0.126) 0.739 16.013 ( 0.592 0.437 -0.738) 1.043 16.053 ( 1.825 -1.726 0.665) 2.598 16.200 ( 2.029 -1.599 -0.251) 2.596 16.249 ( 0.591 -5.430 1.336) 5.623 16.899 ( 0.670 1.505 0.140) 1.653 16.921 ( 0.252 4.387 0.463) 4.418 17.030 ( 1.427 4.051 0.355) 4.310 17.092 ( -0.495 3.847 -0.622) 3.928 17.524 ( -0.842 -4.040 -0.434) 4.149 17.645 ( 0.347 -5.211 0.190) 5.226 17.878 ( 0.953 6.213 -2.743) 6.858 18.009 ( 2.253 6.401 0.031) 6.786 20.708 ( -2.745 -1.713 0.539) 3.280 20.710 ( -1.924 -2.258 0.088) 2.968 20.992 ( -0.999 0.038 -0.956) 1.383 21.055 ( -2.544 -0.433 -0.322) 2.600 27.117 ( 2.267 0.015 0.196) 2.276 27.271 ( -1.156 -4.324 -3.301) 5.561 27.661 ( 2.512 -0.788 0.243) 2.644 28.198 ( 4.261 -12.659 -2.753) 13.637 29.490 ( 0.745 1.011 -0.142) 1.263 29.548 ( 1.364 0.680 0.161) 1.533 29.698 ( 1.756 -0.348 -0.244) 1.806 29.922 ( 4.762 -4.306 0.980) 6.494 30.086 ( -3.538 7.859 -3.443) 9.281 30.197 ( 0.171 2.463 0.125) 2.472 30.534 ( -0.985 0.702 -0.382) 1.269 30.669 ( -0.245 -0.295 0.197) 0.431 31.197 ( -0.555 3.054 2.901) 4.249 31.235 ( 0.794 1.564 -3.449) 3.869 31.657 ( 1.229 8.998 -1.778) 9.254 31.819 ( 1.633 -1.668 3.496) 4.204 31.912 ( 2.467 2.913 2.513) 4.570 32.219 ( -2.581 -2.032 -1.043) 3.447 32.689 ( -2.462 1.701 2.657) 4.002 33.088 ( 1.462 -1.476 3.381) 3.968 33.304 ( 0.822 8.030 0.473) 8.086 33.647 ( 0.428 -1.389 0.908) 1.714 33.733 ( 0.612 0.546 -2.593) 2.719 34.211 ( -0.913 1.170 -0.682) 1.633 34.907 ( 0.226 -6.470 3.008) 7.138 35.187 ( -0.213 -8.133 -1.695) 8.310 35.666 ( -4.115 3.048 -1.043) 5.226 36.096 ( -2.214 -3.012 1.134) 3.906 ======================= Grid point 14 (9/72) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 0.000 23.128 0.000) 23.128 1.219 ( 0.000 15.733 0.000) 15.733 1.580 ( 0.000 28.533 0.000) 28.533 1.943 ( 0.000 6.340 0.000) 6.340 1.997 ( 0.000 3.790 0.000) 3.790 2.183 ( 0.000 3.335 0.000) 3.335 2.276 ( 0.000 -1.514 0.000) 1.514 2.285 ( 0.000 -1.333 0.000) 1.333 2.304 ( 0.000 -3.128 0.000) 3.128 2.395 ( 0.000 -9.714 0.000) 9.714 2.527 ( 0.000 -7.532 0.000) 7.532 2.770 ( 0.000 12.383 0.000) 12.383 2.936 ( 0.000 8.016 0.000) 8.016 3.199 ( 0.000 -12.349 0.000) 12.349 3.213 ( 0.000 -3.919 0.000) 3.919 3.272 ( 0.000 -1.334 0.000) 1.334 3.331 ( 0.000 -2.184 0.000) 2.184 3.616 ( 0.000 1.466 0.000) 1.466 3.635 ( 0.000 -4.131 0.000) 4.131 3.804 ( 0.000 -6.570 0.000) 6.570 3.809 ( 0.000 -4.087 0.000) 4.087 4.011 ( 0.000 -4.598 0.000) 4.598 4.143 ( 0.000 2.072 0.000) 2.072 4.173 ( 0.000 -3.300 0.000) 3.300 4.209 ( 0.000 -0.618 0.000) 0.618 4.311 ( 0.000 2.757 0.000) 2.757 4.427 ( 0.000 6.311 0.000) 6.311 4.515 ( 0.000 5.396 0.000) 5.396 4.648 ( 0.000 3.757 0.000) 3.757 4.721 ( 0.000 0.685 0.000) 0.685 4.799 ( 0.000 -4.518 0.000) 4.518 4.879 ( 0.000 -2.357 0.000) 2.357 4.958 ( 0.000 4.281 0.000) 4.281 5.016 ( 0.000 3.069 0.000) 3.069 5.139 ( 0.000 2.496 0.000) 2.496 5.256 ( 0.000 5.404 0.000) 5.404 5.302 ( 0.000 -8.140 0.000) 8.140 5.313 ( 0.000 2.407 0.000) 2.407 5.409 ( 0.000 -3.582 0.000) 3.582 5.489 ( 0.000 1.478 0.000) 1.478 5.535 ( 0.000 -5.023 0.000) 5.023 5.558 ( 0.000 -4.871 0.000) 4.871 5.615 ( 0.000 -3.695 0.000) 3.695 5.759 ( 0.000 -7.151 0.000) 7.151 6.095 ( 0.000 0.799 0.000) 0.799 6.297 ( 0.000 -6.029 0.000) 6.029 6.560 ( 0.000 4.188 0.000) 4.188 6.570 ( 0.000 5.387 0.000) 5.387 6.924 ( 0.000 -1.790 0.000) 1.790 6.970 ( 0.000 -4.471 0.000) 4.471 7.165 ( 0.000 -1.715 0.000) 1.715 7.215 ( 0.000 -5.001 0.000) 5.001 7.544 ( 0.000 6.004 0.000) 6.004 7.674 ( 0.000 -0.196 0.000) 0.196 7.832 ( 0.000 2.027 0.000) 2.027 7.919 ( 0.000 -1.477 0.000) 1.477 8.699 ( 0.000 6.419 0.000) 6.419 8.837 ( 0.000 1.759 0.000) 1.759 9.400 ( 0.000 3.408 0.000) 3.408 9.472 ( 0.000 -0.557 0.000) 0.557 9.854 ( 0.000 3.020 0.000) 3.020 9.891 ( 0.000 3.218 0.000) 3.218 9.966 ( 0.000 2.780 0.000) 2.780 10.068 ( 0.000 -1.996 0.000) 1.996 10.304 ( 0.000 -5.191 0.000) 5.191 10.309 ( 0.000 -7.549 0.000) 7.549 10.776 ( 0.000 0.054 0.000) 0.054 10.783 ( 0.000 -0.505 0.000) 0.505 11.446 ( 0.000 -0.901 0.000) 0.901 11.450 ( 0.000 -1.073 0.000) 1.073 11.723 ( 0.000 0.277 0.000) 0.277 11.730 ( 0.000 -0.098 0.000) 0.098 12.289 ( 0.000 -0.754 0.000) 0.754 12.302 ( 0.000 -1.470 0.000) 1.470 12.495 ( 0.000 -1.691 0.000) 1.691 12.508 ( 0.000 -1.335 0.000) 1.335 13.778 ( 0.000 1.863 0.000) 1.863 13.803 ( 0.000 1.943 0.000) 1.943 13.835 ( 0.000 -0.541 0.000) 0.541 13.858 ( 0.000 -1.064 0.000) 1.064 14.650 ( 0.000 -0.183 0.000) 0.183 14.694 ( 0.000 -1.567 0.000) 1.567 14.798 ( 0.000 1.470 0.000) 1.470 14.823 ( 0.000 1.418 0.000) 1.418 14.954 ( 0.000 -2.040 0.000) 2.040 15.012 ( 0.000 -3.897 0.000) 3.897 15.370 ( 0.000 1.879 0.000) 1.879 15.371 ( 0.000 1.810 0.000) 1.810 15.854 ( 0.000 1.777 0.000) 1.777 15.922 ( 0.000 -1.227 0.000) 1.227 15.978 ( 0.000 -0.290 0.000) 0.290 15.989 ( 0.000 -0.202 0.000) 0.202 16.767 ( 0.000 4.066 0.000) 4.066 16.891 ( 0.000 -0.550 0.000) 0.550 17.132 ( 0.000 0.408 0.000) 0.408 17.158 ( 0.000 -0.504 0.000) 0.504 17.401 ( 0.000 -1.617 0.000) 1.617 17.479 ( 0.000 -4.976 0.000) 4.976 17.909 ( 0.000 6.465 0.000) 6.465 18.007 ( 0.000 2.567 0.000) 2.567 20.985 ( 0.000 2.129 0.000) 2.129 21.051 ( 0.000 -0.756 0.000) 0.756 21.135 ( 0.000 1.097 0.000) 1.097 21.225 ( 0.000 -2.789 0.000) 2.789 26.991 ( 0.000 4.375 0.000) 4.375 27.111 ( 0.000 5.851 0.000) 5.851 27.235 ( 0.000 -6.611 0.000) 6.611 27.389 ( 0.000 -6.852 0.000) 6.852 29.441 ( 0.000 0.987 0.000) 0.987 29.447 ( 0.000 0.706 0.000) 0.706 29.564 ( 0.000 0.409 0.000) 0.409 29.564 ( 0.000 0.072 0.000) 0.072 30.231 ( 0.000 2.074 0.000) 2.074 30.312 ( 0.000 -2.698 0.000) 2.698 30.696 ( 0.000 0.894 0.000) 0.894 30.712 ( 0.000 1.287 0.000) 1.287 31.253 ( 0.000 4.343 0.000) 4.343 31.298 ( 0.000 0.772 0.000) 0.772 31.522 ( 0.000 -1.361 0.000) 1.361 31.564 ( 0.000 -1.904 0.000) 1.904 31.917 ( 0.000 5.737 0.000) 5.737 32.165 ( 0.000 -5.244 0.000) 5.244 32.868 ( 0.000 11.174 0.000) 11.174 33.143 ( 0.000 -1.002 0.000) 1.002 33.332 ( 0.000 5.086 0.000) 5.086 33.520 ( 0.000 -3.232 0.000) 3.232 33.799 ( 0.000 -1.331 0.000) 1.331 34.019 ( 0.000 -11.471 0.000) 11.471 34.912 ( 0.000 5.287 0.000) 5.287 35.144 ( 0.000 -5.256 0.000) 5.256 36.225 ( 0.000 4.498 0.000) 4.498 36.480 ( 0.000 -7.098 0.000) 7.098 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.14 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 4.519 19.502 6.796) 21.141 1.558 ( 14.769 15.015 -2.340) 21.191 1.733 ( 19.348 13.272 6.977) 24.478 1.994 ( 0.200 0.954 0.125) 0.983 2.041 ( 5.230 8.466 8.502) 13.089 2.177 ( 1.631 4.437 -1.075) 4.848 2.253 ( 2.204 4.936 -1.324) 5.566 2.323 ( 1.183 2.264 2.272) 3.419 2.422 ( 3.784 -5.425 2.041) 6.922 2.552 ( 13.002 -6.100 -1.917) 14.490 2.606 ( 12.185 -13.347 4.304) 18.578 2.784 ( 2.393 14.541 1.478) 14.811 2.946 ( 4.326 7.163 -5.793) 10.177 3.144 ( -1.277 2.935 -4.688) 5.676 3.235 ( -0.562 0.865 1.773) 2.051 3.326 ( 6.167 -14.090 -4.776) 16.105 3.389 ( 6.481 -10.348 1.640) 12.320 3.555 ( -3.280 4.513 -0.189) 5.582 3.646 ( -0.366 -1.284 0.848) 1.582 3.776 ( -1.271 -5.977 -0.445) 6.127 3.870 ( 0.039 0.424 -2.051) 2.095 3.993 ( -2.892 -4.069 2.157) 5.438 4.103 ( -0.471 0.262 1.592) 1.681 4.118 ( -1.843 -1.411 -4.026) 4.647 4.251 ( 3.746 0.346 4.801) 6.099 4.370 ( 0.870 2.526 -1.707) 3.170 4.435 ( 6.205 1.974 3.622) 7.451 4.553 ( 0.300 0.452 -0.746) 0.922 4.623 ( -4.063 1.385 -6.874) 8.105 4.719 ( 2.355 2.860 2.126) 4.271 4.804 ( -0.714 -0.549 1.703) 1.927 4.833 ( -5.661 1.940 1.724) 6.228 4.917 ( -3.719 -2.510 -2.308) 5.046 4.976 ( 3.026 3.674 -4.481) 6.537 5.108 ( -7.981 0.136 -2.840) 8.473 5.207 ( 2.948 -1.591 -3.085) 4.554 5.294 ( -3.457 -0.194 6.419) 7.293 5.332 ( -2.375 0.971 1.794) 3.131 5.429 ( -1.093 -0.686 -5.238) 5.395 5.477 ( -1.185 -5.739 -1.721) 6.108 5.492 ( 3.663 2.500 -2.108) 4.910 5.594 ( -0.736 0.016 5.436) 5.485 5.623 ( 0.590 -4.745 1.623) 5.049 5.858 ( 3.579 -7.665 7.733) 11.461 6.084 ( 0.161 -2.399 -0.240) 2.417 6.248 ( -4.681 -6.602 -0.757) 8.128 6.518 ( -5.638 5.340 1.425) 7.895 6.557 ( -0.353 2.563 -1.496) 2.989 6.915 ( -2.031 0.925 4.129) 4.694 7.013 ( 3.606 -3.662 2.329) 5.643 7.176 ( 0.795 -2.690 -0.353) 2.827 7.212 ( 0.591 -4.846 -2.525) 5.496 7.516 ( -1.433 5.206 -2.836) 6.099 7.659 ( -1.353 0.077 -0.184) 1.367 7.770 ( -4.797 3.214 -1.113) 5.880 7.879 ( -4.131 -1.351 0.930) 4.445 8.673 ( -2.803 5.883 0.722) 6.557 8.825 ( -0.945 0.411 -1.771) 2.049 9.352 ( -2.866 4.093 -2.050) 5.401 9.468 ( -1.277 -0.913 0.950) 1.835 9.829 ( -2.851 4.876 0.240) 5.653 9.900 ( -2.662 4.021 -0.662) 4.868 9.934 ( 1.965 1.480 0.742) 2.570 10.048 ( -1.790 -1.540 -0.371) 2.391 10.243 ( -3.967 -4.045 1.951) 5.992 10.339 ( 0.408 -8.046 0.542) 8.075 10.651 ( -9.063 1.537 -2.515) 9.530 10.696 ( -6.786 -0.523 -1.428) 6.954 11.456 ( 2.118 0.588 1.071) 2.445 11.532 ( 4.182 -2.512 0.745) 4.935 11.724 ( 1.354 0.708 -1.854) 2.402 11.756 ( 2.205 -0.365 -0.362) 2.264 12.231 ( -2.384 0.647 -1.395) 2.837 12.289 ( -1.966 -2.420 -0.445) 3.150 12.486 ( -1.381 -1.575 -0.299) 2.116 12.501 ( -1.184 -1.476 0.994) 2.137 13.777 ( -0.918 1.794 -0.111) 2.019 13.795 ( -0.602 1.671 -0.126) 1.780 13.841 ( 0.785 -0.431 0.309) 0.947 13.863 ( 0.980 -1.252 -0.564) 1.687 14.655 ( -0.176 -0.009 0.286) 0.335 14.698 ( 3.085 -2.340 -0.829) 3.959 14.829 ( 4.353 1.463 -0.185) 4.596 14.922 ( 4.212 -3.531 0.499) 5.519 15.059 ( 8.462 -0.704 1.381) 8.603 15.099 ( 6.546 -1.504 -2.307) 7.102 15.393 ( 3.615 2.291 -0.729) 4.341 15.455 ( 5.561 -0.842 2.016) 5.975 15.869 ( 1.488 -0.474 2.632) 3.061 15.936 ( 1.303 -2.538 1.709) 3.326 16.007 ( 3.818 0.627 -2.279) 4.490 16.046 ( 4.074 -0.606 1.016) 4.242 16.816 ( 4.447 3.930 0.410) 5.948 16.918 ( 2.814 0.662 -0.659) 2.965 17.096 ( -1.716 2.196 -0.337) 2.807 17.167 ( -0.011 -1.097 -0.374) 1.159 17.428 ( 2.299 -2.361 -0.017) 3.296 17.510 ( 2.602 -5.297 -0.426) 5.917 17.917 ( 1.704 5.839 -1.610) 6.292 18.011 ( 0.994 2.236 -0.551) 2.508 20.921 ( -6.790 1.464 0.606) 6.973 20.946 ( -8.501 0.586 -0.771) 8.556 21.108 ( -2.354 0.976 -0.724) 2.649 21.189 ( -3.699 -2.575 0.351) 4.521 27.075 ( 1.684 2.924 -0.601) 3.428 27.148 ( 6.786 -2.639 -2.075) 7.571 27.384 ( 10.480 -4.421 3.136) 11.799 27.449 ( 10.584 -7.236 -2.372) 13.039 29.463 ( 1.620 1.058 -0.188) 1.944 29.468 ( 2.488 1.040 0.120) 2.700 29.588 ( 2.504 0.346 -0.192) 2.535 29.612 ( 4.453 -1.128 0.568) 4.628 30.234 ( 0.231 2.175 0.169) 2.193 30.301 ( -0.569 -1.411 -1.264) 1.978 30.673 ( -2.288 1.599 -0.377) 2.817 30.696 ( -0.692 0.627 -1.429) 1.707 31.253 ( -0.153 4.183 0.718) 4.247 31.292 ( 0.592 1.121 -2.585) 2.879 31.566 ( 3.165 -0.368 3.153) 4.482 31.631 ( 3.672 -2.077 6.191) 7.492 31.922 ( 1.186 6.257 -1.702) 6.592 32.168 ( -0.228 -5.657 1.120) 5.772 32.858 ( -1.718 9.917 1.238) 10.141 33.121 ( -2.771 -0.332 0.990) 2.962 33.362 ( 3.029 5.500 -0.056) 6.279 33.533 ( 1.127 -3.349 0.912) 3.650 33.785 ( -0.423 0.570 -1.495) 1.655 34.057 ( 3.924 -11.580 -0.867) 12.258 34.871 ( -4.649 5.069 2.489) 7.315 35.124 ( -1.604 -6.047 -1.258) 6.381 36.142 ( -8.203 3.853 -1.380) 9.167 36.321 ( -12.576 -3.055 -0.731) 12.963 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.29 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 7.356 10.864 9.808) 16.381 1.724 ( 3.831 6.702 3.888) 8.644 1.999 ( 1.852 -0.267 2.047) 2.774 2.073 ( 5.651 0.091 -0.975) 5.735 2.170 ( 4.197 14.056 8.528) 16.968 2.266 ( 6.279 2.174 -7.030) 9.673 2.341 ( 4.818 0.408 3.337) 5.875 2.459 ( 4.388 4.023 3.171) 6.745 2.505 ( 5.354 4.928 1.887) 7.517 2.785 ( 16.716 -0.111 2.884) 16.964 2.800 ( 6.056 -6.310 1.784) 8.926 2.921 ( 4.601 12.793 4.481) 14.314 3.088 ( 5.731 5.387 -7.913) 11.157 3.152 ( 5.455 0.881 -2.067) 5.900 3.263 ( 13.337 -5.925 -3.317) 14.966 3.471 ( 3.668 1.778 -2.667) 4.871 3.485 ( 3.367 -10.243 1.027) 10.831 3.521 ( 3.406 -5.741 -1.167) 6.776 3.626 ( -1.785 -0.757 -0.993) 2.178 3.693 ( -4.787 -2.582 -2.204) 5.868 3.820 ( -0.114 1.779 -2.175) 2.812 3.964 ( 0.121 -1.814 1.287) 2.227 4.073 ( -0.321 1.371 1.734) 2.234 4.207 ( 4.672 -2.372 -0.468) 5.261 4.341 ( -1.080 3.849 3.557) 5.351 4.407 ( 3.575 1.008 -0.713) 3.783 4.454 ( -0.804 0.078 -3.505) 3.597 4.559 ( 3.608 -0.565 -1.151) 3.830 4.568 ( -0.411 -0.494 0.253) 0.691 4.679 ( -2.416 3.995 -4.533) 6.508 4.829 ( 0.730 -1.304 2.951) 3.308 4.842 ( -1.251 -4.523 2.665) 5.396 4.881 ( 1.744 -4.750 2.985) 5.875 4.941 ( -2.010 -2.707 -4.733) 5.811 4.985 ( -2.901 3.055 1.445) 4.454 5.171 ( -7.729 0.481 1.043) 7.814 5.179 ( -2.337 -2.726 -3.443) 4.975 5.299 ( -2.275 0.404 -1.540) 2.777 5.366 ( -1.481 -2.026 -3.499) 4.306 5.427 ( -4.718 -5.253 1.993) 7.337 5.581 ( 3.120 2.499 -1.421) 4.242 5.625 ( -2.179 -0.058 2.782) 3.534 5.636 ( 1.651 4.440 1.467) 4.959 5.893 ( -3.482 -0.823 6.307) 7.251 6.087 ( -6.815 -1.658 1.730) 7.224 6.178 ( 2.291 -10.279 1.066) 10.585 6.388 ( -6.977 4.762 -1.263) 8.541 6.530 ( -0.996 -3.060 -1.533) 3.565 6.934 ( 0.365 5.004 5.161) 7.198 7.131 ( 4.905 -1.725 2.594) 5.811 7.162 ( -1.733 -2.831 -0.784) 3.411 7.193 ( 1.011 -2.388 -4.389) 5.098 7.469 ( -1.689 3.942 -0.602) 4.331 7.619 ( -2.443 2.181 -1.653) 3.668 7.683 ( -2.593 1.775 -1.052) 3.314 7.812 ( -3.099 -2.266 1.437) 4.099 8.616 ( -3.238 3.553 0.504) 4.833 8.767 ( -3.138 -2.258 -2.510) 4.609 9.304 ( -0.388 4.719 -1.427) 4.945 9.438 ( -2.403 -0.921 0.898) 2.726 9.744 ( -5.799 7.221 2.050) 9.486 9.879 ( 1.311 2.154 -1.432) 2.900 9.971 ( -1.316 -0.746 0.094) 1.516 10.024 ( 0.465 0.713 1.152) 1.433 10.200 ( -2.494 -3.533 3.610) 5.633 10.341 ( -0.462 -7.663 0.522) 7.694 10.475 ( -6.265 1.703 -3.597) 7.422 10.557 ( -5.127 -1.397 -2.580) 5.907 11.508 ( 2.095 0.395 0.936) 2.329 11.590 ( 1.191 -2.976 1.169) 3.412 11.738 ( 1.262 1.359 -1.331) 2.283 11.804 ( 2.968 -0.307 -0.623) 3.048 12.207 ( 0.609 -0.187 -0.578) 0.860 12.253 ( -0.668 -2.092 -1.020) 2.421 12.439 ( -3.092 -1.082 -0.485) 3.312 12.473 ( -2.374 -1.776 0.878) 3.092 13.739 ( -1.868 1.898 -0.458) 2.702 13.793 ( -0.479 0.548 0.498) 0.882 13.864 ( 1.070 -0.328 0.748) 1.346 13.878 ( 1.151 -1.906 -1.031) 2.453 14.683 ( 1.843 0.403 1.092) 2.180 14.737 ( 1.310 -1.695 0.146) 2.147 14.934 ( 6.565 0.488 -1.134) 6.680 15.032 ( 6.333 -3.438 0.976) 7.272 15.158 ( 2.138 0.496 -2.788) 3.548 15.179 ( 3.996 -0.015 -1.072) 4.138 15.462 ( 3.045 2.209 -0.573) 3.805 15.534 ( 1.497 -0.908 0.213) 1.764 15.942 ( 3.631 -1.118 2.398) 4.492 16.005 ( 3.547 -1.552 0.393) 3.891 16.070 ( 3.617 -1.896 0.317) 4.096 16.123 ( 2.710 -1.946 0.882) 3.451 16.909 ( 4.149 3.558 -0.022) 5.466 16.972 ( 2.750 2.415 -0.074) 3.661 17.084 ( 0.210 3.325 1.108) 3.511 17.161 ( -0.304 0.424 0.040) 0.523 17.462 ( 1.217 -2.366 -0.903) 2.810 17.541 ( 1.119 -4.434 -0.998) 4.680 17.958 ( 4.232 5.145 -2.677) 7.180 18.047 ( 3.306 2.100 -0.831) 4.004 20.765 ( -8.171 0.110 1.133) 8.250 20.788 ( -7.807 -0.614 -0.138) 7.833 21.047 ( -2.927 0.819 -0.934) 3.180 21.107 ( -4.516 -1.795 0.077) 4.861 27.093 ( 1.877 1.788 -1.667) 3.082 27.203 ( 1.446 -4.715 -3.362) 5.969 27.548 ( 7.934 -0.646 -0.297) 7.966 27.742 ( 14.144 -12.169 0.292) 18.661 29.494 ( 1.759 1.499 -0.415) 2.348 29.524 ( 2.857 0.807 0.067) 2.969 29.646 ( 3.363 0.415 -0.150) 3.392 29.722 ( 5.994 -2.980 0.847) 6.748 30.242 ( 0.463 2.485 -0.093) 2.529 30.275 ( -1.007 1.825 -1.104) 2.359 30.614 ( -2.826 2.270 -1.355) 3.870 30.671 ( -1.079 -0.498 -0.548) 1.308 31.260 ( -0.243 3.798 1.823) 4.219 31.284 ( 1.108 1.802 -3.552) 4.134 31.676 ( 4.719 0.932 4.623) 6.672 31.760 ( 4.160 -0.432 5.155) 6.638 31.937 ( 1.650 6.247 -0.932) 6.528 32.166 ( -1.179 -5.851 1.215) 6.091 32.817 ( -3.328 7.065 0.790) 7.849 33.064 ( -3.541 -1.616 1.034) 4.027 33.435 ( 4.497 7.376 -0.514) 8.654 33.576 ( 1.733 -2.237 2.539) 3.802 33.774 ( 1.019 3.411 -2.747) 4.497 34.131 ( 3.997 -9.625 -0.834) 10.455 34.808 ( -3.400 2.023 2.951) 4.936 35.066 ( -3.118 -7.817 -1.558) 8.559 35.921 ( -11.427 4.760 -1.879) 12.520 36.115 ( -8.832 -3.707 1.121) 9.644 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 5.185 3.371 8.468) 10.486 1.739 ( -2.451 -0.091 -1.858) 3.077 2.078 ( 2.761 5.194 1.496) 6.070 2.103 ( 1.515 0.976 -1.010) 2.066 2.298 ( 1.920 19.414 4.495) 20.020 2.330 ( 3.979 2.983 -2.467) 5.551 2.416 ( 2.110 -3.344 -1.050) 4.091 2.456 ( -4.083 2.071 3.010) 5.479 2.648 ( 7.656 5.029 5.787) 10.835 2.872 ( -3.381 -2.203 -6.021) 7.249 2.913 ( -0.720 6.095 0.030) 6.138 3.079 ( 7.050 -5.103 2.204) 8.978 3.165 ( 7.269 -0.233 -1.128) 7.360 3.264 ( 5.609 0.024 -4.240) 7.032 3.380 ( 0.144 5.333 2.558) 5.917 3.447 ( 1.077 1.712 1.197) 2.351 3.475 ( -5.532 3.230 -5.358) 8.351 3.554 ( -4.165 0.686 -3.256) 5.331 3.627 ( 4.892 -13.106 -1.897) 14.117 3.739 ( 8.058 -0.537 3.963) 8.996 3.895 ( 4.275 2.694 1.532) 5.281 4.026 ( 4.030 1.550 1.341) 4.521 4.081 ( -0.952 -2.636 -0.777) 2.909 4.183 ( -1.445 -0.157 -0.472) 1.528 4.380 ( 3.004 -4.411 -2.341) 5.828 4.429 ( -1.563 -4.450 1.110) 4.845 4.446 ( 1.007 -1.237 -1.802) 2.406 4.569 ( -2.677 1.762 5.163) 6.077 4.602 ( 1.003 2.950 -3.181) 4.453 4.673 ( 1.592 0.249 3.716) 4.050 4.737 ( -0.611 2.803 -6.195) 6.827 4.833 ( -1.598 -3.473 -1.856) 4.249 4.923 ( 4.374 -2.995 4.320) 6.838 4.945 ( -1.140 0.433 -3.092) 3.324 5.036 ( 0.301 -5.409 6.575) 8.520 5.078 ( -0.818 -2.227 -1.461) 2.787 5.133 ( -1.726 -2.588 -1.285) 3.366 5.230 ( -3.740 -0.932 -0.182) 3.859 5.340 ( 2.711 -3.451 -3.233) 5.451 5.358 ( -1.297 -4.769 2.280) 5.443 5.514 ( -6.968 1.332 -0.516) 7.113 5.576 ( -3.089 0.779 0.118) 3.188 5.671 ( 0.523 5.607 -0.082) 5.632 5.857 ( -4.509 -1.333 3.050) 5.604 6.016 ( 0.540 4.434 0.737) 4.527 6.221 ( 0.382 -5.119 0.938) 5.218 6.280 ( -2.532 2.745 -1.307) 3.957 6.511 ( -0.083 -8.051 -0.633) 8.076 6.997 ( 1.527 7.112 5.475) 9.105 7.095 ( -1.648 1.810 -6.834) 7.259 7.125 ( -1.194 -1.926 -0.318) 2.288 7.295 ( 4.435 -3.302 2.626) 6.121 7.456 ( 0.182 5.280 2.391) 5.799 7.535 ( -3.584 5.789 -3.684) 7.741 7.661 ( -0.158 0.240 0.396) 0.489 7.786 ( -0.689 -5.317 0.346) 5.373 8.576 ( -1.162 0.863 0.354) 1.490 8.692 ( -2.214 -3.550 -1.392) 4.409 9.306 ( 0.970 4.706 -0.735) 4.860 9.402 ( -1.678 -0.143 0.637) 1.801 9.675 ( -2.273 7.531 0.776) 7.904 9.899 ( 1.217 0.164 -0.221) 1.248 9.928 ( -1.963 0.380 -0.141) 2.004 10.032 ( -0.844 1.080 1.089) 1.751 10.210 ( 0.523 -5.256 1.760) 5.567 10.337 ( -0.393 -4.883 1.392) 5.093 10.369 ( -2.236 0.579 -2.987) 3.776 10.481 ( -1.240 -2.178 -1.607) 2.978 11.543 ( 0.978 -0.411 0.325) 1.109 11.603 ( -0.194 -3.485 0.467) 3.521 11.749 ( 0.503 2.494 -0.437) 2.582 11.843 ( 1.159 -0.370 -0.122) 1.223 12.234 ( 1.486 -1.571 0.281) 2.181 12.249 ( 0.834 -1.649 -0.864) 2.040 12.374 ( -2.727 -0.302 -0.332) 2.764 12.438 ( -1.419 -2.030 0.359) 2.503 13.712 ( -0.669 1.604 -0.158) 1.745 13.784 ( -0.434 -0.450 0.147) 0.642 13.886 ( 0.543 -0.430 0.331) 0.767 13.889 ( 0.486 -1.816 -0.361) 1.914 14.725 ( 1.340 -0.049 0.995) 1.670 14.748 ( -0.222 -0.930 -0.049) 0.957 15.046 ( 5.270 1.180 -0.440) 5.419 15.119 ( -0.002 0.725 -0.018) 0.725 15.171 ( 2.996 -1.709 -1.531) 3.774 15.209 ( -0.191 -1.422 -0.093) 1.438 15.490 ( 0.640 1.698 -0.233) 1.829 15.538 ( -0.354 -0.785 -0.228) 0.891 16.019 ( 2.221 -0.471 1.173) 2.555 16.043 ( 0.783 1.641 -0.573) 1.906 16.132 ( 1.606 -4.942 0.758) 5.251 16.160 ( 0.917 -2.552 0.147) 2.716 16.957 ( 1.221 3.726 -0.231) 3.928 17.007 ( 0.636 3.094 0.324) 3.175 17.108 ( 0.809 3.269 0.904) 3.486 17.157 ( -0.165 1.811 0.242) 1.835 17.461 ( -0.135 -1.453 -0.958) 1.746 17.548 ( 0.337 -4.217 -0.299) 4.241 18.011 ( 2.382 6.198 -1.583) 6.826 18.107 ( 2.486 2.634 -0.176) 3.627 20.663 ( -3.097 -1.830 0.612) 3.649 20.671 ( -3.688 -1.788 0.063) 4.099 20.999 ( -1.252 0.675 -0.396) 1.477 21.040 ( -2.026 -0.973 -0.133) 2.251 27.119 ( 1.427 0.276 -0.333) 1.491 27.184 ( -0.430 -3.606 -2.184) 4.237 27.659 ( 3.243 1.149 -0.017) 3.441 27.923 ( 4.774 -12.560 -0.130) 13.437 29.517 ( 0.744 1.588 -0.193) 1.764 29.563 ( 1.084 0.286 -0.065) 1.123 29.696 ( 1.609 0.755 -0.017) 1.777 29.823 ( 3.154 -4.678 0.549) 5.669 30.239 ( -0.403 5.323 -0.836) 5.403 30.259 ( -0.145 3.072 0.254) 3.086 30.562 ( -1.338 2.206 -0.656) 2.662 30.652 ( -0.506 -1.370 -0.121) 1.465 31.270 ( -0.601 3.304 2.696) 4.307 31.278 ( 1.027 2.449 -3.371) 4.292 31.788 ( 3.494 1.900 2.305) 4.597 31.830 ( 0.338 3.560 0.816) 3.668 31.978 ( 2.037 3.452 1.153) 4.171 32.140 ( -1.693 -5.127 0.100) 5.401 32.763 ( -1.972 5.344 0.088) 5.696 33.020 ( -1.435 -5.229 0.418) 5.439 33.503 ( 2.428 9.266 -0.592) 9.598 33.623 ( 0.752 -0.847 2.167) 2.445 33.776 ( 0.910 5.044 -1.787) 5.428 34.178 ( 1.286 -5.915 -0.379) 6.065 34.796 ( -0.209 -2.370 1.457) 2.790 34.999 ( -2.176 -9.398 -0.924) 9.691 35.750 ( -4.692 5.145 -0.575) 6.986 36.003 ( -3.415 -5.947 0.596) 6.883 ======================= Grid point 21 (13/72) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 0.000 -2.718 0.000) 2.718 1.410 ( 0.000 2.718 0.000) 2.718 1.918 ( 0.000 -13.452 0.000) 13.452 1.918 ( 0.000 13.452 0.000) 13.452 2.168 ( 0.000 -0.888 0.000) 0.888 2.168 ( 0.000 0.888 0.000) 0.888 2.259 ( 0.000 -7.482 0.000) 7.482 2.259 ( 0.000 7.482 0.000) 7.482 2.324 ( 0.000 -2.426 0.000) 2.426 2.324 ( 0.000 2.426 0.000) 2.426 2.615 ( 0.000 -25.952 0.000) 25.952 2.615 ( 0.000 25.952 0.000) 25.952 3.095 ( 0.000 -8.502 0.000) 8.502 3.095 ( 0.000 8.502 0.000) 8.502 3.137 ( 0.000 -9.924 0.000) 9.924 3.137 ( 0.000 9.924 0.000) 9.924 3.437 ( 0.000 -10.791 0.000) 10.791 3.437 ( 0.000 10.791 0.000) 10.791 3.713 ( 0.000 -1.914 0.000) 1.914 3.713 ( 0.000 1.914 0.000) 1.914 3.878 ( 0.000 -9.138 0.000) 9.138 3.878 ( 0.000 9.138 0.000) 9.138 4.153 ( 0.000 -0.206 0.000) 0.206 4.153 ( 0.000 0.206 0.000) 0.206 4.262 ( 0.000 -5.724 0.000) 5.724 4.262 ( 0.000 5.724 0.000) 5.724 4.565 ( 0.000 -1.916 0.000) 1.916 4.565 ( 0.000 1.916 0.000) 1.916 4.698 ( 0.000 -1.603 0.000) 1.603 4.698 ( 0.000 1.603 0.000) 1.603 4.778 ( 0.000 -5.443 0.000) 5.443 4.778 ( 0.000 5.443 0.000) 5.443 5.085 ( 0.000 -4.938 0.000) 4.938 5.085 ( 0.000 4.938 0.000) 4.938 5.157 ( 0.000 -0.075 0.000) 0.075 5.157 ( 0.000 0.075 0.000) 0.075 5.344 ( 0.000 -2.665 0.000) 2.665 5.344 ( 0.000 2.665 0.000) 2.665 5.396 ( 0.000 -6.557 0.000) 6.557 5.396 ( 0.000 6.557 0.000) 6.557 5.508 ( 0.000 -0.439 0.000) 0.439 5.508 ( 0.000 0.439 0.000) 0.439 5.619 ( 0.000 -4.138 0.000) 4.138 5.619 ( 0.000 4.138 0.000) 4.138 6.175 ( 0.000 -5.635 0.000) 5.635 6.175 ( 0.000 5.635 0.000) 5.635 6.622 ( 0.000 -0.777 0.000) 0.777 6.622 ( 0.000 0.777 0.000) 0.777 6.904 ( 0.000 -0.918 0.000) 0.918 6.904 ( 0.000 0.918 0.000) 0.918 7.156 ( 0.000 -1.010 0.000) 1.010 7.156 ( 0.000 1.010 0.000) 1.010 7.638 ( 0.000 -3.219 0.000) 3.219 7.638 ( 0.000 3.219 0.000) 3.219 7.879 ( 0.000 -2.348 0.000) 2.348 7.879 ( 0.000 2.348 0.000) 2.348 8.812 ( 0.000 -3.996 0.000) 3.996 8.812 ( 0.000 3.996 0.000) 3.996 9.456 ( 0.000 -1.674 0.000) 1.674 9.456 ( 0.000 1.674 0.000) 1.674 9.919 ( 0.000 -1.952 0.000) 1.952 9.919 ( 0.000 1.952 0.000) 1.952 10.018 ( 0.000 -2.766 0.000) 2.766 10.018 ( 0.000 2.766 0.000) 2.766 10.225 ( 0.000 -0.722 0.000) 0.722 10.225 ( 0.000 0.722 0.000) 0.722 10.776 ( 0.000 -0.125 0.000) 0.125 10.776 ( 0.000 0.125 0.000) 0.125 11.437 ( 0.000 -0.124 0.000) 0.124 11.437 ( 0.000 0.124 0.000) 0.124 11.727 ( 0.000 -0.170 0.000) 0.170 11.727 ( 0.000 0.170 0.000) 0.170 12.284 ( 0.000 -0.295 0.000) 0.295 12.284 ( 0.000 0.295 0.000) 0.295 12.485 ( 0.000 -0.601 0.000) 0.601 12.485 ( 0.000 0.601 0.000) 0.601 13.814 ( 0.000 -1.525 0.000) 1.525 13.814 ( 0.000 1.525 0.000) 1.525 13.836 ( 0.000 -1.260 0.000) 1.260 13.836 ( 0.000 1.260 0.000) 1.260 14.662 ( 0.000 -1.261 0.000) 1.261 14.662 ( 0.000 1.261 0.000) 1.261 14.827 ( 0.000 -1.017 0.000) 1.017 14.827 ( 0.000 1.017 0.000) 1.017 14.951 ( 0.000 -1.758 0.000) 1.758 14.951 ( 0.000 1.758 0.000) 1.758 15.390 ( 0.000 -0.018 0.000) 0.018 15.390 ( 0.000 0.018 0.000) 0.018 15.891 ( 0.000 -1.783 0.000) 1.783 15.891 ( 0.000 1.783 0.000) 1.783 15.982 ( 0.000 -0.437 0.000) 0.437 15.982 ( 0.000 0.437 0.000) 0.437 16.848 ( 0.000 -3.431 0.000) 3.431 16.848 ( 0.000 3.431 0.000) 3.431 17.145 ( 0.000 -0.782 0.000) 0.782 17.145 ( 0.000 0.782 0.000) 0.782 17.406 ( 0.000 -2.089 0.000) 2.089 17.406 ( 0.000 2.089 0.000) 2.089 18.006 ( 0.000 -2.615 0.000) 2.615 18.006 ( 0.000 2.615 0.000) 2.615 21.025 ( 0.000 -1.735 0.000) 1.735 21.025 ( 0.000 1.735 0.000) 1.735 21.171 ( 0.000 -2.372 0.000) 2.372 21.171 ( 0.000 2.372 0.000) 2.372 27.100 ( 0.000 -6.249 0.000) 6.249 27.100 ( 0.000 6.249 0.000) 6.249 27.244 ( 0.000 -7.113 0.000) 7.113 27.244 ( 0.000 7.113 0.000) 7.113 29.453 ( 0.000 -0.136 0.000) 0.136 29.453 ( 0.000 0.136 0.000) 0.136 29.566 ( 0.000 -0.067 0.000) 0.067 29.566 ( 0.000 0.067 0.000) 0.067 30.268 ( 0.000 -1.772 0.000) 1.772 30.268 ( 0.000 1.772 0.000) 1.772 30.715 ( 0.000 -0.688 0.000) 0.688 30.715 ( 0.000 0.688 0.000) 0.688 31.305 ( 0.000 -0.622 0.000) 0.622 31.305 ( 0.000 0.622 0.000) 0.622 31.525 ( 0.000 -1.532 0.000) 1.532 31.525 ( 0.000 1.532 0.000) 1.532 32.043 ( 0.000 -6.444 0.000) 6.444 32.043 ( 0.000 6.444 0.000) 6.444 33.067 ( 0.000 -7.161 0.000) 7.161 33.067 ( 0.000 7.161 0.000) 7.161 33.436 ( 0.000 -4.879 0.000) 4.879 33.436 ( 0.000 4.879 0.000) 4.879 33.833 ( 0.000 -5.551 0.000) 5.551 33.833 ( 0.000 5.551 0.000) 5.551 35.028 ( 0.000 -5.921 0.000) 5.921 35.028 ( 0.000 5.921 0.000) 5.921 36.338 ( 0.000 -6.506 0.000) 6.506 36.338 ( 0.000 6.506 0.000) 6.506 ======================= Grid point 23 (14/72) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 6.813 -11.547 3.256) 13.797 1.526 ( 6.813 11.547 3.256) 13.797 1.938 ( 2.753 -6.877 -1.027) 7.478 1.938 ( 2.753 6.877 -1.027) 7.478 2.247 ( -0.087 -3.125 3.530) 4.715 2.247 ( -0.087 3.125 3.530) 4.715 2.344 ( 14.525 -4.956 4.529) 16.002 2.344 ( 14.525 4.956 4.529) 16.002 2.416 ( 7.938 -5.528 1.232) 9.752 2.416 ( 7.938 5.528 1.232) 9.752 2.655 ( 4.475 -26.245 -1.564) 26.670 2.655 ( 4.475 26.245 -1.564) 26.670 3.086 ( 0.932 -7.408 0.181) 7.469 3.086 ( 0.932 7.408 0.181) 7.469 3.206 ( 7.404 -6.628 -5.338) 11.280 3.206 ( 7.404 6.628 -5.338) 11.280 3.428 ( 0.652 -12.137 -2.474) 12.404 3.428 ( 0.652 12.137 -2.474) 12.404 3.725 ( -1.625 -2.340 5.129) 5.867 3.725 ( -1.625 2.340 5.129) 5.867 3.896 ( 0.157 -5.391 -2.332) 5.875 3.896 ( 0.157 5.391 -2.332) 5.875 4.098 ( -0.457 -0.311 -0.834) 1.001 4.098 ( -0.457 0.311 -0.834) 1.001 4.320 ( 4.383 -5.168 0.847) 6.829 4.320 ( 4.383 5.168 0.847) 6.829 4.519 ( -3.091 -2.778 0.841) 4.240 4.519 ( -3.091 2.778 0.841) 4.240 4.695 ( -3.128 -6.230 -1.245) 7.082 4.695 ( -3.128 6.230 -1.245) 7.082 4.804 ( 1.636 -4.661 4.105) 6.423 4.804 ( 1.636 4.661 4.105) 6.423 4.994 ( -6.490 -6.156 -6.118) 10.838 4.994 ( -6.490 6.156 -6.118) 10.838 5.114 ( -0.313 -6.042 -5.545) 8.207 5.114 ( -0.313 6.042 -5.545) 8.207 5.330 ( -1.171 -3.768 4.907) 6.296 5.330 ( -1.171 3.768 4.907) 6.296 5.416 ( -3.637 -1.808 -1.443) 4.310 5.416 ( -3.637 1.808 -1.443) 4.310 5.559 ( 3.723 -2.183 2.894) 5.196 5.559 ( 3.723 2.183 2.894) 5.196 5.665 ( 5.097 -8.256 3.320) 10.255 5.665 ( 5.097 8.256 3.320) 10.255 6.129 ( -4.172 -4.951 -0.662) 6.508 6.129 ( -4.172 4.951 -0.662) 6.508 6.582 ( -4.555 -0.846 0.733) 4.691 6.582 ( -4.555 0.846 0.733) 4.691 6.947 ( 2.786 -2.511 3.930) 5.432 6.947 ( 2.786 2.511 3.930) 5.432 7.152 ( 0.195 -0.843 -1.299) 1.561 7.152 ( 0.195 0.843 -1.299) 1.561 7.612 ( -1.687 -3.904 -2.113) 4.749 7.612 ( -1.687 3.904 -2.113) 4.749 7.838 ( -3.515 -2.784 -0.759) 4.547 7.838 ( -3.515 2.784 -0.759) 4.547 8.782 ( -2.778 -4.234 -0.999) 5.162 8.782 ( -2.778 4.234 -0.999) 5.162 9.430 ( -1.820 -3.091 -0.928) 3.705 9.430 ( -1.820 3.091 -0.928) 3.705 9.923 ( 0.747 -3.078 -1.906) 3.696 9.923 ( 0.747 3.078 -1.906) 3.696 9.988 ( -3.759 -4.440 3.328) 6.702 9.988 ( -3.759 4.440 3.328) 6.702 10.216 ( -0.622 -2.737 -0.061) 2.808 10.216 ( -0.622 2.737 -0.061) 2.808 10.678 ( -7.616 -1.159 -2.212) 8.015 10.678 ( -7.616 1.159 -2.212) 8.015 11.482 ( 3.114 -2.015 0.849) 3.805 11.482 ( 3.114 2.015 0.849) 3.805 11.741 ( 1.782 -0.922 -0.855) 2.181 11.741 ( 1.782 0.922 -0.855) 2.181 12.251 ( -2.013 -1.358 -1.200) 2.709 12.251 ( -2.013 1.358 -1.200) 2.709 12.477 ( -1.353 -0.630 0.537) 1.586 12.477 ( -1.353 0.630 0.537) 1.586 13.808 ( -1.116 -0.855 0.509) 1.495 13.808 ( -1.116 0.855 0.509) 1.495 13.840 ( 0.882 -0.810 -0.675) 1.374 13.840 ( 0.882 0.810 -0.675) 1.374 14.666 ( 1.312 -1.002 0.009) 1.651 14.666 ( 1.312 1.002 0.009) 1.651 14.864 ( 3.598 -2.183 0.347) 4.223 14.864 ( 3.598 2.183 0.347) 4.223 15.068 ( 8.409 -1.339 -0.287) 8.520 15.068 ( 8.409 1.339 -0.287) 8.520 15.433 ( 4.162 -1.525 0.166) 4.436 15.433 ( 4.162 1.525 0.166) 4.436 15.889 ( 0.257 -1.954 1.985) 2.797 15.889 ( 0.257 1.954 1.985) 2.797 16.027 ( 3.777 -1.119 -0.628) 3.989 16.027 ( 3.777 1.119 -0.628) 3.989 16.892 ( 4.337 -3.014 -0.447) 5.300 16.892 ( 4.337 3.014 -0.447) 5.300 17.136 ( -0.559 -1.772 0.098) 1.861 17.136 ( -0.559 1.772 0.098) 1.861 17.431 ( 2.139 -2.322 0.079) 3.158 17.431 ( 2.139 2.322 0.079) 3.158 18.008 ( 0.833 -2.593 -0.819) 2.844 18.008 ( 0.833 2.593 -0.819) 2.844 20.944 ( -7.776 -0.704 -0.047) 7.808 20.944 ( -7.776 0.704 -0.047) 7.808 21.139 ( -2.997 -2.109 -0.003) 3.665 21.139 ( -2.997 2.109 -0.003) 3.665 27.123 ( 1.344 -1.550 -0.452) 2.101 27.123 ( 1.344 1.550 -0.452) 2.101 27.350 ( 10.740 -2.031 -0.097) 10.931 27.350 ( 10.740 2.031 -0.097) 10.931 29.477 ( 2.252 -0.187 -0.064) 2.261 29.477 ( 2.252 0.187 -0.064) 2.261 29.596 ( 2.901 -0.528 0.252) 2.960 29.596 ( 2.901 0.528 0.252) 2.960 30.271 ( 0.290 -1.558 0.019) 1.585 30.271 ( 0.290 1.558 0.019) 1.585 30.696 ( -1.594 -0.670 -0.650) 1.847 30.696 ( -1.594 0.670 -0.650) 1.847 31.304 ( 0.429 -0.544 -1.181) 1.369 31.304 ( 0.429 0.544 -1.181) 1.369 31.583 ( 3.507 -2.079 5.409) 6.773 31.583 ( 3.507 2.079 5.409) 6.773 32.048 ( 0.664 -6.182 -0.580) 6.245 32.048 ( 0.664 6.182 -0.580) 6.245 33.044 ( -2.712 -7.226 0.214) 7.721 33.044 ( -2.712 7.226 0.214) 7.721 33.460 ( 2.873 -4.011 -0.502) 4.959 33.460 ( 2.873 4.011 -0.502) 4.959 33.855 ( 2.548 -7.038 -0.631) 7.512 33.855 ( 2.548 7.038 -0.631) 7.512 34.993 ( -3.472 -6.528 0.076) 7.395 34.993 ( -3.472 6.528 0.076) 7.395 36.232 ( -9.630 -4.848 -0.785) 10.810 36.232 ( -9.630 4.848 -0.785) 10.810 ======================= Grid point 25 (15/72) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 1.903 -11.276 4.651) 12.345 1.634 ( 1.903 11.276 4.651) 12.345 2.031 ( 4.793 -3.155 4.112) 7.059 2.031 ( 4.793 3.155 4.112) 7.059 2.273 ( 2.129 -2.932 0.344) 3.640 2.273 ( 2.129 2.932 0.344) 3.640 2.549 ( 3.338 -3.684 2.295) 5.475 2.549 ( 3.338 3.684 2.295) 5.475 2.685 ( 10.376 -12.583 3.508) 16.682 2.685 ( 10.376 12.583 3.508) 16.682 2.767 ( 10.405 -13.326 -2.960) 17.164 2.767 ( 10.405 13.326 -2.960) 17.164 3.200 ( 8.863 -3.878 0.044) 9.674 3.200 ( 8.863 3.878 0.044) 9.674 3.300 ( 7.637 -7.757 -7.713) 13.341 3.300 ( 7.637 7.757 -7.713) 13.341 3.425 ( 2.141 -3.845 0.401) 4.419 3.425 ( 2.141 3.845 0.401) 4.419 3.683 ( -4.030 -0.750 -0.272) 4.108 3.683 ( -4.030 0.750 -0.272) 4.108 3.903 ( 3.650 -6.106 0.591) 7.138 3.903 ( 3.650 6.106 0.591) 7.138 4.129 ( 1.430 -3.974 0.310) 4.235 4.129 ( 1.430 3.974 0.310) 4.235 4.404 ( -1.151 -3.010 0.848) 3.332 4.404 ( -1.151 3.010 0.848) 3.332 4.488 ( 2.092 -3.465 0.412) 4.068 4.488 ( 2.092 3.465 0.412) 4.068 4.620 ( -3.354 -7.399 -1.118) 8.200 4.620 ( -3.354 7.399 -1.118) 8.200 4.828 ( -1.853 -4.192 6.913) 8.295 4.828 ( -1.853 4.192 6.913) 8.295 4.866 ( 0.638 -4.964 -7.621) 9.118 4.866 ( 0.638 4.964 -7.621) 9.118 5.058 ( -3.121 -4.503 -1.446) 5.666 5.058 ( -3.121 4.503 -1.446) 5.666 5.276 ( -6.016 -6.211 0.699) 8.675 5.276 ( -6.016 6.211 0.699) 8.675 5.342 ( -2.292 -2.909 -2.520) 4.479 5.342 ( -2.292 2.909 -2.520) 4.479 5.613 ( 0.015 -1.000 0.950) 1.379 5.613 ( 0.015 1.000 0.950) 1.379 5.800 ( 1.707 -8.724 4.849) 10.126 5.800 ( 1.707 8.724 4.849) 10.126 6.059 ( -0.293 -0.614 0.125) 0.692 6.059 ( -0.293 0.614 0.125) 0.692 6.470 ( -6.918 -3.184 0.241) 7.619 6.470 ( -6.918 3.184 0.241) 7.619 7.049 ( 2.778 -5.726 5.599) 8.476 7.049 ( 2.778 5.726 5.599) 8.476 7.148 ( 1.494 -1.297 -2.628) 3.289 7.148 ( 1.494 1.297 -2.628) 3.289 7.563 ( -1.096 -4.778 -1.870) 5.246 7.563 ( -1.096 4.778 -1.870) 5.246 7.759 ( -3.735 -3.363 -0.641) 5.067 7.759 ( -3.735 3.363 -0.641) 5.067 8.698 ( -4.452 -4.111 -1.578) 6.262 8.698 ( -4.452 4.111 -1.578) 6.262 9.394 ( -1.032 -3.552 -0.612) 3.749 9.394 ( -1.032 3.552 -0.612) 3.749 9.879 ( -3.687 -4.166 -0.577) 5.593 9.879 ( -3.687 4.166 -0.577) 5.593 9.981 ( 0.136 -3.371 2.830) 4.404 9.981 ( 0.136 3.371 2.830) 4.404 10.208 ( -0.422 -4.500 0.464) 4.544 10.208 ( -0.422 4.500 0.464) 4.544 10.519 ( -5.842 -2.262 -3.364) 7.111 10.519 ( -5.842 2.262 -3.364) 7.111 11.534 ( 1.314 -2.193 0.923) 2.718 11.534 ( 1.314 2.193 0.923) 2.718 11.777 ( 2.395 -2.018 -0.829) 3.240 11.777 ( 2.395 2.018 -0.829) 3.240 12.219 ( -0.097 -1.270 -1.192) 1.744 12.219 ( -0.097 1.270 -1.192) 1.744 12.440 ( -2.774 -1.153 0.467) 3.040 12.440 ( -2.774 1.153 0.467) 3.040 13.779 ( -1.775 -1.768 0.049) 2.506 13.779 ( -1.775 1.768 0.049) 2.506 13.859 ( 1.198 -0.107 -0.108) 1.208 13.859 ( 1.198 0.107 -0.108) 1.208 14.703 ( 1.654 -1.478 0.963) 2.418 14.703 ( 1.654 1.478 0.963) 2.418 14.966 ( 6.740 -2.620 -0.251) 7.235 14.966 ( 6.740 2.620 -0.251) 7.235 15.172 ( 3.229 -0.811 -1.779) 3.775 15.172 ( 3.229 0.811 -1.779) 3.775 15.505 ( 2.397 -1.887 -0.425) 3.080 15.505 ( 2.397 1.887 -0.425) 3.080 15.953 ( 4.047 -2.130 2.544) 5.233 15.953 ( 4.047 2.130 2.544) 5.233 16.084 ( 2.264 -1.837 -0.320) 2.933 16.084 ( 2.264 1.837 -0.320) 2.933 16.974 ( 3.943 -2.147 -0.472) 4.514 16.974 ( 3.943 2.147 -0.472) 4.514 17.139 ( 0.389 -2.097 1.185) 2.440 17.139 ( 0.389 2.097 1.185) 2.440 17.467 ( 1.621 -2.475 -0.895) 3.091 17.467 ( 1.621 2.475 -0.895) 3.091 18.041 ( 3.720 -2.520 -1.339) 4.689 18.041 ( 3.720 2.520 -1.339) 4.689 20.774 ( -9.038 -0.670 0.455) 9.074 20.774 ( -9.038 0.670 0.455) 9.074 21.072 ( -3.586 -1.568 -0.169) 3.918 21.072 ( -3.586 1.568 -0.169) 3.918 27.134 ( 1.054 -2.385 -2.194) 3.407 27.134 ( 1.054 2.385 -2.194) 3.407 27.577 ( 10.943 -4.263 0.679) 11.764 27.577 ( 10.943 4.263 0.679) 11.764 29.522 ( 2.246 -0.968 -0.363) 2.472 29.522 ( 2.246 0.968 -0.363) 2.472 29.671 ( 4.230 -2.043 0.542) 4.729 29.671 ( 4.230 2.043 0.542) 4.729 30.280 ( 0.563 -1.067 0.196) 1.222 30.280 ( 0.563 1.067 0.196) 1.222 30.652 ( -2.161 -1.394 -0.830) 2.702 30.652 ( -2.161 1.394 -0.830) 2.702 31.305 ( 0.614 -0.371 -1.153) 1.358 31.305 ( 0.614 0.371 -1.153) 1.358 31.717 ( 4.921 -2.898 6.542) 8.684 31.717 ( 4.921 2.898 6.542) 8.684 32.054 ( 0.395 -5.406 -0.822) 5.483 32.054 ( 0.395 5.406 -0.822) 5.483 32.969 ( -4.521 -6.985 -0.738) 8.353 32.969 ( -4.521 6.985 -0.738) 8.353 33.534 ( 4.497 -2.563 0.160) 5.179 33.534 ( 4.497 2.563 0.160) 5.179 33.914 ( 3.901 -10.081 -0.726) 10.834 33.914 ( 3.901 10.081 -0.726) 10.834 34.911 ( -4.708 -7.006 -0.033) 8.441 34.911 ( -4.708 7.006 -0.033) 8.441 36.021 ( -10.568 -5.049 -0.351) 11.718 36.021 ( -10.568 5.049 -0.351) 11.718 ======================= Grid point 27 (16/72) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 0.685 -4.780 2.888) 5.627 1.690 ( 0.685 4.780 2.888) 5.627 2.126 ( 1.475 -1.911 3.105) 3.933 2.126 ( 1.475 1.911 3.105) 3.933 2.336 ( 3.451 -1.803 -0.271) 3.903 2.336 ( 3.451 1.803 -0.271) 3.903 2.544 ( -1.778 -7.792 -1.387) 8.112 2.544 ( -1.778 7.792 -1.387) 8.112 2.838 ( 3.592 -20.214 5.090) 21.152 2.838 ( 3.592 20.214 5.090) 21.152 2.960 ( 8.716 -10.861 -0.956) 13.959 2.960 ( 8.716 10.861 -0.956) 13.959 3.126 ( -5.372 -10.218 -6.535) 13.266 3.126 ( -5.372 10.218 -6.535) 13.266 3.443 ( 5.714 -3.474 -4.845) 8.258 3.443 ( 5.714 3.474 -4.845) 8.258 3.510 ( -0.766 -3.319 4.287) 5.476 3.510 ( -0.766 3.319 4.287) 5.476 3.703 ( 5.569 -8.919 0.576) 10.531 3.703 ( 5.569 8.919 0.576) 10.531 3.994 ( 4.690 -6.523 1.400) 8.155 3.994 ( 4.690 6.523 1.400) 8.155 4.111 ( -3.092 -5.399 -1.626) 6.431 4.111 ( -3.092 5.399 -1.626) 6.431 4.343 ( -2.313 -1.648 -0.749) 2.937 4.343 ( -2.313 1.648 -0.749) 2.937 4.493 ( 0.265 -7.212 1.023) 7.289 4.493 ( 0.265 7.212 1.023) 7.289 4.659 ( 3.226 -2.517 3.742) 5.544 4.659 ( 3.226 2.517 3.742) 5.544 4.792 ( -1.753 -2.234 -6.227) 6.844 4.792 ( -1.753 2.234 -6.227) 6.844 4.908 ( 0.656 -4.037 4.252) 5.900 4.908 ( 0.656 4.037 4.252) 5.900 4.996 ( -1.156 -3.131 -1.190) 3.544 4.996 ( -1.156 3.131 -1.190) 3.544 5.198 ( -1.259 -4.466 -1.018) 4.750 5.198 ( -1.259 4.466 -1.018) 4.750 5.290 ( -0.971 -0.345 0.703) 1.247 5.290 ( -0.971 0.345 0.703) 1.247 5.561 ( -3.766 -2.193 -1.701) 4.678 5.561 ( -3.766 2.193 -1.701) 4.678 5.783 ( -3.048 -5.132 2.134) 6.339 5.783 ( -3.048 5.132 2.134) 6.339 6.121 ( 3.117 -5.139 0.528) 6.033 6.121 ( 3.117 5.139 0.528) 6.033 6.366 ( -3.100 -5.712 -0.003) 6.499 6.366 ( -3.100 5.712 -0.003) 6.499 7.087 ( -0.514 -1.951 1.108) 2.302 7.087 ( -0.514 1.951 1.108) 2.302 7.187 ( 2.212 -6.583 -0.208) 6.948 7.187 ( 2.212 6.583 -0.208) 6.948 7.561 ( 1.080 -3.970 0.700) 4.174 7.561 ( 1.080 3.970 0.700) 4.174 7.691 ( -2.433 -3.730 -1.113) 4.591 7.691 ( -2.433 3.730 -1.113) 4.591 8.619 ( -2.231 -3.213 -0.719) 3.977 8.619 ( -2.231 3.213 -0.719) 3.977 9.382 ( -0.097 -2.249 -0.221) 2.262 9.382 ( -0.097 2.249 -0.221) 2.262 9.817 ( -1.952 -6.144 -0.024) 6.447 9.817 ( -1.952 6.144 -0.024) 6.447 10.001 ( -0.034 -4.975 1.337) 5.152 10.001 ( -0.034 4.975 1.337) 5.152 10.206 ( -0.154 -5.493 0.351) 5.506 10.206 ( -0.154 5.493 0.351) 5.506 10.426 ( -1.628 -3.098 -1.915) 3.989 10.426 ( -1.628 3.098 -1.915) 3.989 11.551 ( 0.188 -1.434 0.328) 1.483 11.551 ( 0.188 1.434 0.328) 1.483 11.808 ( 1.022 -2.792 -0.226) 2.981 11.808 ( 1.022 2.792 -0.226) 2.981 12.224 ( 0.867 -0.630 -0.575) 1.216 12.224 ( 0.867 0.630 -0.575) 1.216 12.393 ( -1.867 -1.985 0.233) 2.735 12.393 ( -1.867 1.985 0.233) 2.735 13.753 ( -0.774 -2.232 -0.026) 2.363 13.753 ( -0.774 2.232 -0.026) 2.363 13.876 ( 0.516 -0.293 0.036) 0.594 13.876 ( 0.516 0.293 0.036) 0.594 14.731 ( 0.498 -0.637 0.661) 1.045 14.731 ( 0.498 0.637 0.661) 1.045 15.088 ( 5.446 -2.694 -0.342) 6.085 15.088 ( 5.446 2.694 -0.342) 6.085 15.178 ( -1.183 -1.668 -0.840) 2.211 15.178 ( -1.183 1.668 -0.840) 2.211 15.520 ( 0.086 -1.135 -0.309) 1.179 15.520 ( 0.086 1.135 -0.309) 1.179 16.036 ( 2.213 -2.147 1.072) 3.265 16.036 ( 2.213 2.147 1.072) 3.265 16.108 ( 0.566 -2.343 -0.196) 2.418 16.108 ( 0.566 2.343 -0.196) 2.418 17.021 ( 1.206 -1.756 -0.096) 2.132 17.021 ( 1.206 1.756 -0.096) 2.132 17.157 ( 0.299 -1.450 0.877) 1.721 17.157 ( 0.299 1.450 0.877) 1.721 17.476 ( 0.292 -2.641 -0.740) 2.759 17.476 ( 0.292 2.641 -0.740) 2.759 18.106 ( 2.795 -2.644 -0.733) 3.917 18.106 ( 2.795 2.644 -0.733) 3.917 20.647 ( -3.955 -0.318 0.354) 3.984 20.647 ( -3.955 0.318 0.354) 3.984 21.018 ( -1.572 -1.109 -0.137) 1.928 21.018 ( -1.572 1.109 -0.137) 1.928 27.134 ( 0.401 -1.384 -1.145) 1.840 27.134 ( 0.401 1.384 -1.145) 1.840 27.729 ( 4.105 -6.235 0.263) 7.470 27.729 ( 4.105 6.235 0.263) 7.470 29.549 ( 0.833 -1.411 -0.228) 1.655 29.549 ( 0.833 1.411 -0.228) 1.655 29.740 ( 2.084 -3.369 0.298) 3.972 29.740 ( 2.084 3.369 0.298) 3.972 30.292 ( 0.338 -0.424 0.170) 0.569 30.292 ( 0.338 0.424 0.170) 0.569 30.614 ( -1.073 -2.401 -0.417) 2.662 30.614 ( -1.073 2.401 -0.417) 2.662 31.308 ( 0.279 -0.271 -0.464) 0.605 31.308 ( 0.279 0.271 -0.464) 0.605 31.837 ( 2.787 -2.549 3.077) 4.872 31.837 ( 2.787 2.549 3.077) 4.872 32.049 ( -0.296 -3.608 -0.493) 3.654 32.049 ( -0.296 3.608 -0.493) 3.654 32.891 ( -2.297 -6.849 -0.620) 7.250 32.891 ( -2.297 6.849 -0.620) 7.250 33.604 ( 2.110 -1.624 0.143) 2.666 33.604 ( 2.110 1.624 0.143) 2.666 33.974 ( 2.159 -12.405 -0.211) 12.593 33.974 ( 2.159 12.405 -0.211) 12.593 34.838 ( -2.310 -5.790 -0.080) 6.234 34.838 ( -2.310 5.790 -0.080) 6.234 35.871 ( -4.371 -6.568 0.018) 7.890 35.871 ( -4.371 6.568 0.018) 7.890 ======================= Grid point 49 (17/72) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 3.529 0.000 26.670) 26.903 0.820 ( 1.739 0.000 36.615) 36.657 1.110 ( -0.372 0.000 47.326) 47.328 2.000 ( 5.236 0.000 -11.032) 12.211 2.005 ( 1.437 0.000 3.607) 3.882 2.143 ( -3.164 0.000 12.810) 13.195 2.228 ( -1.322 0.000 4.884) 5.060 2.286 ( -3.840 0.000 -1.296) 4.053 2.318 ( -5.003 0.000 -4.012) 6.412 2.467 ( -4.466 0.000 1.668) 4.768 2.484 ( 2.427 0.000 0.661) 2.516 2.813 ( -1.265 0.000 12.213) 12.278 3.006 ( 1.999 0.000 9.786) 9.988 3.077 ( -4.021 0.000 0.557) 4.059 3.249 ( -5.703 0.000 -2.762) 6.337 3.274 ( 11.968 0.000 4.979) 12.963 3.409 ( 1.832 0.000 -14.283) 14.400 3.596 ( 4.090 0.000 -2.394) 4.739 3.788 ( -4.570 0.000 -4.556) 6.453 3.825 ( -0.071 0.000 7.668) 7.668 3.979 ( -8.356 0.000 -8.120) 11.651 4.048 ( -6.946 0.000 5.088) 8.610 4.131 ( 0.976 0.000 2.328) 2.524 4.172 ( 0.275 0.000 -5.331) 5.338 4.309 ( 3.787 0.000 -1.822) 4.202 4.324 ( 2.241 0.000 -6.748) 7.110 4.401 ( -2.092 0.000 -10.782) 10.983 4.448 ( 3.226 0.000 -2.748) 4.238 4.599 ( 2.630 0.000 1.995) 3.301 4.678 ( 7.035 0.000 1.981) 7.309 4.764 ( 5.558 0.000 11.522) 12.792 4.821 ( -0.462 0.000 0.281) 0.540 4.848 ( -7.969 0.000 -7.257) 10.778 4.962 ( 3.221 0.000 -8.155) 8.768 5.002 ( -2.233 0.000 -0.321) 2.256 5.080 ( -2.742 0.000 -2.370) 3.624 5.114 ( 2.937 0.000 0.850) 3.057 5.209 ( 1.309 0.000 -3.788) 4.008 5.428 ( 0.509 0.000 -5.044) 5.069 5.535 ( 0.154 0.000 -4.940) 4.942 5.568 ( 1.607 0.000 1.027) 1.907 5.724 ( 4.956 0.000 -7.356) 8.870 5.753 ( 19.107 0.000 -13.105) 23.169 5.794 ( -3.488 0.000 2.063) 4.053 6.266 ( -0.174 0.000 -1.829) 1.838 6.359 ( 1.927 0.000 2.804) 3.403 6.504 ( -2.683 0.000 5.917) 6.497 6.510 ( -6.719 0.000 7.154) 9.814 7.075 ( -1.766 0.000 0.439) 1.820 7.171 ( -5.197 0.000 3.340) 6.178 7.216 ( 0.718 0.000 -0.224) 0.753 7.344 ( -1.336 0.000 5.353) 5.517 7.394 ( -2.272 0.000 -5.405) 5.863 7.606 ( 6.223 0.000 0.492) 6.243 7.972 ( 1.488 0.000 2.779) 3.152 7.975 ( -1.824 0.000 4.814) 5.148 8.619 ( -2.157 0.000 7.771) 8.065 9.173 ( 2.473 0.000 -1.876) 3.104 9.317 ( -7.689 0.000 2.420) 8.061 9.496 ( -0.669 0.000 -1.050) 1.245 9.756 ( 0.258 0.000 4.163) 4.171 9.793 ( -3.691 0.000 -1.712) 4.069 9.856 ( 2.117 0.000 0.432) 2.161 10.068 ( 1.631 0.000 -3.896) 4.224 10.536 ( -3.867 0.000 0.583) 3.910 10.554 ( -0.170 0.000 -4.032) 4.035 10.694 ( 5.594 0.000 -0.959) 5.675 10.752 ( 0.378 0.000 -1.559) 1.604 11.420 ( 1.928 0.000 0.930) 2.141 11.506 ( -0.258 0.000 1.906) 1.923 11.699 ( -3.715 0.000 -2.803) 4.654 11.783 ( -6.050 0.000 -6.740) 9.057 12.225 ( -0.582 0.000 1.581) 1.685 12.350 ( 3.036 0.000 -1.864) 3.563 12.568 ( 1.349 0.000 1.774) 2.229 12.585 ( -0.720 0.000 0.372) 0.810 13.731 ( -1.400 0.000 0.398) 1.455 13.744 ( -0.063 0.000 -0.103) 0.121 13.826 ( 0.328 0.000 -1.012) 1.064 13.843 ( 0.464 0.000 -1.263) 1.345 14.698 ( -7.760 0.000 -0.213) 7.763 14.722 ( 3.560 0.000 0.680) 3.624 14.728 ( 5.013 0.000 -0.825) 5.080 14.747 ( -5.352 0.000 0.043) 5.352 15.078 ( 1.343 0.000 1.668) 2.142 15.197 ( -3.925 0.000 2.636) 4.728 15.248 ( 0.489 0.000 -1.676) 1.746 15.445 ( 12.200 0.000 -3.162) 12.603 15.828 ( 8.370 0.000 -0.677) 8.397 15.908 ( -0.306 0.000 -3.702) 3.714 15.993 ( 1.923 0.000 3.312) 3.830 16.077 ( -1.364 0.000 2.480) 2.830 16.726 ( -0.263 0.000 4.950) 4.957 16.881 ( 1.334 0.000 -0.046) 1.335 16.899 ( -7.475 0.000 -0.282) 7.480 17.135 ( -0.550 0.000 -3.452) 3.495 17.531 ( -4.880 0.000 0.518) 4.907 17.608 ( 2.209 0.000 -1.438) 2.635 17.695 ( -1.213 0.000 1.201) 1.707 17.775 ( -0.142 0.000 -0.677) 0.692 20.867 ( 0.319 0.000 0.672) 0.744 20.939 ( -1.516 0.000 -1.112) 1.881 21.149 ( -1.770 0.000 2.279) 2.886 21.286 ( 0.894 0.000 -0.845) 1.230 26.911 ( 7.063 0.000 -0.048) 7.063 26.961 ( -1.278 0.000 -1.264) 1.797 27.419 ( 6.535 0.000 1.575) 6.722 27.486 ( -6.504 0.000 0.376) 6.515 29.405 ( 0.477 0.000 -0.263) 0.545 29.417 ( -0.328 0.000 -0.496) 0.595 29.551 ( -0.912 0.000 0.760) 1.187 29.572 ( 2.764 0.000 0.218) 2.773 29.979 ( -0.702 0.000 1.476) 1.635 30.138 ( 1.226 0.000 -2.136) 2.462 30.612 ( -0.863 0.000 1.138) 1.428 30.680 ( 1.072 0.000 -0.427) 1.154 31.237 ( -1.883 0.000 8.484) 8.690 31.380 ( -7.502 0.000 -0.120) 7.503 31.412 ( 0.970 0.000 -3.488) 3.621 31.677 ( 1.591 0.000 4.532) 4.804 31.727 ( 0.944 0.000 8.118) 8.173 32.392 ( -0.233 0.000 -11.079) 11.082 32.744 ( 5.941 0.000 7.976) 9.945 33.111 ( -3.896 0.000 -2.928) 4.874 33.506 ( 1.203 0.000 -5.716) 5.841 33.819 ( -16.739 0.000 -8.249) 18.661 33.822 ( -2.449 0.000 3.201) 4.031 33.992 ( 27.950 0.000 -9.817) 29.624 34.801 ( 8.203 0.000 20.062) 21.674 35.905 ( -0.911 0.000 -10.387) 10.427 36.173 ( 5.552 0.000 1.714) 5.810 36.251 ( -24.252 0.000 -0.955) 24.270 ======================= Grid point 50 (18/72) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 19.062 0.000 24.008) 30.655 1.242 ( 11.694 0.000 31.616) 33.710 1.744 ( 29.115 0.000 28.143) 40.493 1.983 ( 2.546 0.000 -10.351) 10.659 2.072 ( 0.070 0.000 1.541) 1.543 2.187 ( -0.877 0.000 16.036) 16.060 2.245 ( -1.472 0.000 3.397) 3.702 2.269 ( 10.057 0.000 -8.986) 13.487 2.337 ( 0.935 0.000 4.133) 4.237 2.486 ( 3.163 0.000 6.005) 6.787 2.528 ( 2.537 0.000 -2.384) 3.481 2.899 ( 2.751 0.000 7.526) 8.013 3.041 ( 0.527 0.000 -1.800) 1.876 3.129 ( -2.541 0.000 -5.384) 5.954 3.184 ( 6.853 0.000 7.968) 10.510 3.373 ( 5.608 0.000 -9.387) 10.935 3.430 ( -4.449 0.000 6.680) 8.026 3.611 ( -7.360 0.000 -8.819) 11.487 3.713 ( 10.856 0.000 2.586) 11.159 3.795 ( -3.311 0.000 -1.933) 3.834 3.866 ( 1.635 0.000 -0.647) 1.758 4.032 ( 0.667 0.000 2.972) 3.046 4.135 ( -1.701 0.000 3.251) 3.669 4.162 ( 1.343 0.000 -6.084) 6.230 4.252 ( -5.731 0.000 -2.595) 6.291 4.282 ( 1.160 0.000 -11.029) 11.090 4.385 ( -1.373 0.000 -7.905) 8.023 4.443 ( 3.228 0.000 4.554) 5.581 4.605 ( -1.287 0.000 -3.165) 3.416 4.674 ( -1.186 0.000 -2.482) 2.751 4.724 ( 1.563 0.000 0.511) 1.644 4.869 ( 1.743 0.000 0.686) 1.873 4.925 ( 0.765 0.000 3.867) 3.942 5.008 ( 0.758 0.000 4.745) 4.805 5.024 ( 0.755 0.000 -1.613) 1.781 5.058 ( 8.356 0.000 -6.598) 10.647 5.143 ( -0.488 0.000 3.263) 3.299 5.230 ( 5.629 0.000 -3.688) 6.730 5.384 ( -2.008 0.000 -2.625) 3.305 5.444 ( -1.196 0.000 -10.715) 10.781 5.573 ( 1.267 0.000 -3.173) 3.417 5.699 ( -3.743 0.000 -4.420) 5.792 5.767 ( 0.445 0.000 -1.900) 1.952 5.975 ( 12.376 0.000 -18.222) 22.027 6.204 ( -5.705 0.000 1.473) 5.892 6.384 ( -6.022 0.000 6.898) 9.157 6.472 ( 1.186 0.000 0.304) 1.224 6.512 ( -1.179 0.000 5.019) 5.155 7.046 ( -4.280 0.000 5.740) 7.160 7.113 ( -2.766 0.000 2.082) 3.462 7.222 ( 0.890 0.000 -2.399) 2.559 7.322 ( -1.981 0.000 -2.246) 2.995 7.324 ( -5.371 0.000 4.007) 6.701 7.729 ( 5.567 0.000 -0.201) 5.571 7.791 ( -15.980 0.000 6.107) 17.108 7.947 ( -6.102 0.000 3.114) 6.850 8.624 ( -2.479 0.000 7.356) 7.763 9.036 ( -17.062 0.000 12.026) 20.874 9.207 ( 2.008 0.000 -1.388) 2.441 9.471 ( -0.924 0.000 -0.666) 1.139 9.689 ( -6.575 0.000 -0.384) 6.586 9.818 ( 3.114 0.000 2.720) 4.134 9.939 ( 5.291 0.000 0.329) 5.302 10.036 ( -3.339 0.000 -0.597) 3.392 10.449 ( -4.099 0.000 2.256) 4.679 10.459 ( -4.367 0.000 -6.974) 8.228 10.637 ( -6.780 0.000 3.337) 7.557 10.660 ( -6.859 0.000 -2.347) 7.250 11.472 ( 1.846 0.000 2.331) 2.974 11.594 ( 1.007 0.000 -5.605) 5.695 11.598 ( 6.408 0.000 2.617) 6.922 11.781 ( 2.895 0.000 -1.724) 3.370 12.231 ( 0.087 0.000 1.620) 1.622 12.337 ( -1.552 0.000 -2.244) 2.729 12.550 ( -2.974 0.000 -0.209) 2.982 12.567 ( -2.073 0.000 1.331) 2.463 13.724 ( 0.319 0.000 -0.330) 0.459 13.728 ( -1.248 0.000 0.716) 1.439 13.848 ( 2.007 0.000 -0.154) 2.013 13.868 ( 2.635 0.000 -1.995) 3.305 14.690 ( -0.505 0.000 0.165) 0.531 14.694 ( 2.620 0.000 -1.827) 3.195 14.857 ( 8.522 0.000 -0.203) 8.525 14.895 ( 8.673 0.000 -2.396) 8.997 15.129 ( 1.372 0.000 2.587) 2.928 15.168 ( 0.296 0.000 0.765) 0.821 15.284 ( 4.487 0.000 -2.723) 5.249 15.524 ( 2.193 0.000 -2.883) 3.622 15.911 ( 3.165 0.000 -3.636) 4.821 15.962 ( 4.276 0.000 -0.673) 4.329 16.094 ( 1.773 0.000 1.508) 2.328 16.201 ( 12.902 0.000 -4.520) 13.671 16.786 ( 3.130 0.000 2.175) 3.811 16.842 ( 0.230 0.000 2.259) 2.271 16.905 ( 0.658 0.000 0.880) 1.099 17.078 ( -1.822 0.000 -4.206) 4.583 17.596 ( 7.387 0.000 -4.803) 8.811 17.661 ( 0.269 0.000 -0.774) 0.819 17.692 ( 3.508 0.000 1.619) 3.864 17.758 ( -0.835 0.000 -1.059) 1.348 20.852 ( -2.418 0.000 0.928) 2.590 20.885 ( -3.802 0.000 -0.654) 3.858 21.076 ( -5.384 0.000 1.350) 5.551 21.245 ( -4.417 0.000 -1.078) 4.547 26.968 ( 3.217 0.000 -1.007) 3.371 27.273 ( 20.221 0.000 -14.046) 24.621 27.372 ( -3.988 0.000 -2.802) 4.874 27.716 ( 22.007 0.000 -0.968) 22.029 29.421 ( 1.193 0.000 -0.651) 1.359 29.433 ( 2.475 0.000 -0.026) 2.475 29.573 ( 2.603 0.000 0.450) 2.642 29.701 ( 10.057 0.000 -3.945) 10.803 29.974 ( -0.927 0.000 1.306) 1.601 30.142 ( 0.992 0.000 -1.989) 2.223 30.592 ( -1.872 0.000 0.622) 1.972 30.689 ( 0.063 0.000 -0.048) 0.079 31.238 ( -2.569 0.000 0.846) 2.705 31.311 ( -3.930 0.000 11.196) 11.866 31.429 ( 2.955 0.000 -2.263) 3.722 31.755 ( 2.893 0.000 3.923) 4.874 31.816 ( 1.845 0.000 6.543) 6.798 32.298 ( -1.205 0.000 -10.077) 10.149 32.940 ( 7.172 0.000 10.117) 12.401 32.993 ( -5.612 0.000 -4.707) 7.325 33.464 ( -14.362 0.000 1.284) 14.420 33.500 ( 2.771 0.000 -6.254) 6.841 33.799 ( -2.081 0.000 2.027) 2.905 34.178 ( 5.421 0.000 -8.773) 10.313 35.065 ( 5.451 0.000 10.552) 11.876 35.680 ( -31.020 0.000 16.475) 35.124 35.771 ( -3.904 0.000 -11.054) 11.724 36.238 ( -0.572 0.000 2.499) 2.564 ======================= Grid point 51 (19/72) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 9.682 0.000 22.400) 24.403 1.652 ( 7.742 0.000 19.397) 20.884 2.011 ( 5.923 0.000 -3.608) 6.935 2.023 ( -1.174 0.000 3.365) 3.564 2.158 ( 0.444 0.000 -3.443) 3.471 2.249 ( -6.088 0.000 14.621) 15.837 2.337 ( 4.288 0.000 -16.236) 16.793 2.406 ( 2.333 0.000 6.530) 6.934 2.523 ( 14.000 0.000 2.089) 14.155 2.561 ( 0.192 0.000 6.445) 6.448 2.650 ( 11.876 0.000 15.801) 19.766 3.016 ( -0.021 0.000 -5.358) 5.358 3.065 ( 9.764 0.000 2.902) 10.186 3.138 ( 6.450 0.000 -2.328) 6.858 3.285 ( 3.457 0.000 2.162) 4.078 3.339 ( -4.556 0.000 1.838) 4.912 3.379 ( -2.374 0.000 -5.885) 6.346 3.574 ( 9.677 0.000 -3.081) 10.155 3.678 ( -9.356 0.000 -13.810) 16.681 3.795 ( 1.212 0.000 3.503) 3.707 4.002 ( 7.707 0.000 2.487) 8.099 4.131 ( 6.672 0.000 -4.190) 7.879 4.174 ( 4.278 0.000 -0.113) 4.279 4.191 ( 6.978 0.000 2.473) 7.404 4.209 ( 1.851 0.000 -6.303) 6.569 4.231 ( 0.964 0.000 6.379) 6.451 4.306 ( 1.267 0.000 -2.120) 2.470 4.479 ( -3.945 0.000 3.367) 5.187 4.639 ( 6.860 0.000 -3.932) 7.907 4.684 ( 3.751 0.000 -2.353) 4.428 4.749 ( -3.440 0.000 -2.037) 3.998 4.848 ( -4.479 0.000 -2.137) 4.963 4.888 ( 1.621 0.000 0.650) 1.747 4.927 ( -2.331 0.000 -7.104) 7.477 5.089 ( -0.384 0.000 4.958) 4.973 5.131 ( -4.230 0.000 -6.780) 7.992 5.191 ( 8.620 0.000 -6.968) 11.084 5.228 ( -2.447 0.000 0.390) 2.478 5.399 ( 3.693 0.000 -3.790) 5.292 5.470 ( 9.549 0.000 2.475) 9.865 5.577 ( -5.965 0.000 -3.273) 6.804 5.602 ( 2.695 0.000 0.283) 2.710 5.710 ( -3.269 0.000 -3.824) 5.031 5.914 ( -7.699 0.000 -8.264) 11.295 6.095 ( -7.048 0.000 2.847) 7.601 6.286 ( -7.687 0.000 5.664) 9.548 6.526 ( 5.316 0.000 -3.090) 6.149 6.532 ( -0.786 0.000 4.620) 4.687 6.998 ( -7.308 0.000 7.509) 10.478 7.068 ( -3.113 0.000 1.635) 3.517 7.196 ( -0.782 0.000 -4.978) 5.039 7.252 ( -1.935 0.000 2.488) 3.152 7.302 ( -0.145 0.000 2.535) 2.539 7.600 ( -9.155 0.000 5.762) 10.817 7.748 ( -5.364 0.000 0.567) 5.394 7.869 ( 0.516 0.000 -2.379) 2.435 8.648 ( -1.023 0.000 7.195) 7.268 8.887 ( -8.845 0.000 8.932) 12.570 9.214 ( 0.479 0.000 -2.870) 2.910 9.446 ( -1.748 0.000 -0.383) 1.789 9.558 ( -7.002 0.000 2.210) 7.342 9.878 ( 0.083 0.000 -1.023) 1.026 9.966 ( -2.517 0.000 4.316) 4.996 10.019 ( 2.017 0.000 0.971) 2.239 10.317 ( -3.376 0.000 -9.182) 9.783 10.424 ( -1.248 0.000 2.301) 2.618 10.524 ( -4.526 0.000 -1.621) 4.807 10.533 ( -3.645 0.000 -2.946) 4.687 11.527 ( 1.943 0.000 2.075) 2.843 11.604 ( 3.446 0.000 -4.541) 5.701 11.718 ( 3.501 0.000 1.764) 3.920 11.811 ( 0.991 0.000 -1.040) 1.436 12.260 ( 1.559 0.000 1.861) 2.428 12.303 ( -0.388 0.000 -0.773) 0.865 12.477 ( -3.955 0.000 -0.506) 3.987 12.525 ( -2.937 0.000 0.726) 3.025 13.712 ( -1.262 0.000 1.188) 1.734 13.734 ( 1.357 0.000 -0.985) 1.677 13.886 ( 1.432 0.000 0.693) 1.590 13.901 ( 2.580 0.000 -2.261) 3.430 14.716 ( 2.043 0.000 0.784) 2.189 14.732 ( 2.345 0.000 -1.248) 2.656 15.000 ( 4.589 0.000 -1.028) 4.703 15.011 ( 5.997 0.000 1.202) 6.116 15.167 ( 1.888 0.000 1.965) 2.725 15.214 ( 2.563 0.000 0.923) 2.725 15.348 ( 4.485 0.000 -3.720) 5.827 15.533 ( 1.140 0.000 -2.720) 2.949 15.952 ( 3.198 0.000 -2.256) 3.914 16.046 ( 3.727 0.000 1.760) 4.122 16.161 ( 3.789 0.000 0.700) 3.853 16.316 ( 2.660 0.000 -0.757) 2.766 16.827 ( 2.255 0.000 -3.361) 4.048 16.911 ( -0.774 0.000 0.402) 0.872 16.924 ( 3.799 0.000 4.394) 5.808 17.025 ( -0.218 0.000 -2.891) 2.899 17.627 ( -2.467 0.000 0.808) 2.596 17.681 ( 5.559 0.000 -3.963) 6.827 17.731 ( -0.877 0.000 -1.295) 1.564 17.823 ( 6.944 0.000 1.645) 7.136 20.792 ( -4.777 0.000 -0.908) 4.863 20.799 ( -3.547 0.000 0.796) 3.636 21.003 ( -2.658 0.000 0.518) 2.708 21.125 ( -5.850 0.000 -2.095) 6.214 27.064 ( 5.589 0.000 2.634) 6.179 27.303 ( -1.124 0.000 -1.835) 2.152 27.465 ( 11.400 0.000 -10.370) 15.412 28.079 ( 16.534 0.000 -2.345) 16.700 29.448 ( 1.879 0.000 -0.414) 1.925 29.490 ( 3.223 0.000 -0.247) 3.232 29.645 ( 3.985 0.000 0.843) 4.073 29.851 ( 8.660 0.000 -3.895) 9.495 29.965 ( -0.976 0.000 1.152) 1.510 30.146 ( 1.011 0.000 -1.915) 2.165 30.557 ( -2.005 0.000 0.319) 2.030 30.682 ( -0.653 0.000 -0.276) 0.709 31.196 ( -2.120 0.000 1.012) 2.349 31.347 ( -2.936 0.000 13.096) 13.421 31.481 ( 3.532 0.000 -0.841) 3.631 31.834 ( 2.806 0.000 1.192) 3.048 31.874 ( 0.459 0.000 1.367) 1.442 32.195 ( -1.324 0.000 -8.860) 8.959 32.832 ( -7.729 0.000 -3.040) 8.306 33.136 ( 3.591 0.000 9.055) 9.741 33.307 ( -4.929 0.000 3.446) 6.014 33.502 ( 3.567 0.000 -8.176) 8.921 33.788 ( -0.523 0.000 2.861) 2.909 34.174 ( 0.764 0.000 -4.739) 4.800 35.168 ( -3.744 0.000 9.895) 10.579 35.381 ( -11.690 0.000 10.458) 15.685 35.612 ( -3.186 0.000 -10.682) 11.147 36.198 ( -4.281 0.000 0.510) 4.312 ======================= Grid point 52 (20/72) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -2.353 0.000 11.566) 11.803 1.757 ( -4.007 0.000 1.411) 4.248 2.047 ( -0.698 0.000 -10.264) 10.288 2.088 ( -0.182 0.000 6.516) 6.519 2.135 ( -10.924 0.000 14.714) 18.326 2.174 ( -0.999 0.000 0.393) 1.074 2.271 ( 0.003 0.000 -1.077) 1.077 2.501 ( 0.461 0.000 3.016) 3.051 2.591 ( -0.490 0.000 -1.538) 1.614 2.652 ( 1.638 0.000 16.739) 16.819 2.836 ( 2.754 0.000 -6.280) 6.857 2.998 ( 1.588 0.000 -2.796) 3.215 3.160 ( -3.266 0.000 -0.497) 3.304 3.260 ( 6.602 0.000 -0.514) 6.622 3.364 ( 3.493 0.000 -2.489) 4.290 3.375 ( 6.228 0.000 -2.893) 6.867 3.417 ( -4.088 0.000 -4.849) 6.342 3.492 ( 8.284 0.000 9.238) 12.408 3.752 ( 3.962 0.000 5.314) 6.628 3.883 ( 5.739 0.000 6.170) 8.426 4.016 ( 0.225 0.000 -7.763) 7.766 4.127 ( 0.334 0.000 -5.599) 5.609 4.185 ( 1.941 0.000 -11.751) 11.910 4.250 ( 6.391 0.000 -2.035) 6.707 4.365 ( -4.514 0.000 -0.209) 4.519 4.367 ( -0.646 0.000 0.087) 0.651 4.437 ( 10.062 0.000 2.640) 10.403 4.456 ( 3.437 0.000 4.879) 5.968 4.607 ( -2.883 0.000 6.755) 7.345 4.711 ( -3.082 0.000 -5.918) 6.672 4.753 ( 4.284 0.000 -3.078) 5.275 4.773 ( 6.114 0.000 1.527) 6.302 4.858 ( -3.534 0.000 -0.743) 3.611 4.962 ( 2.518 0.000 -3.902) 4.643 4.999 ( 2.509 0.000 -9.246) 9.580 5.070 ( 0.670 0.000 -2.009) 2.117 5.157 ( -3.700 0.000 -5.321) 6.481 5.253 ( 1.733 0.000 -6.847) 7.063 5.424 ( -5.684 0.000 -1.384) 5.850 5.467 ( 1.433 0.000 3.856) 4.114 5.550 ( -11.037 0.000 2.116) 11.238 5.629 ( 0.927 0.000 -0.770) 1.205 5.674 ( 3.030 0.000 -1.192) 3.256 5.724 ( -1.246 0.000 -0.044) 1.247 6.007 ( -3.263 0.000 1.626) 3.645 6.200 ( -2.582 0.000 -1.251) 2.869 6.547 ( -1.366 0.000 4.237) 4.451 6.623 ( 5.371 0.000 0.516) 5.395 6.893 ( -6.419 0.000 5.531) 8.473 7.090 ( 1.228 0.000 6.966) 7.073 7.139 ( -1.178 0.000 -2.808) 3.045 7.283 ( 2.346 0.000 1.897) 3.017 7.333 ( 0.429 0.000 3.740) 3.764 7.494 ( -6.806 0.000 4.917) 8.396 7.635 ( -3.888 0.000 -2.887) 4.843 7.876 ( 1.837 0.000 -4.270) 4.648 8.679 ( -3.319 0.000 7.822) 8.497 8.823 ( -2.899 0.000 6.248) 6.888 9.191 ( 0.257 0.000 -4.144) 4.152 9.387 ( -2.849 0.000 -2.287) 3.653 9.485 ( -3.256 0.000 4.640) 5.668 9.852 ( 0.263 0.000 -0.281) 0.385 9.989 ( -1.030 0.000 4.332) 4.453 10.032 ( -1.190 0.000 1.293) 1.757 10.211 ( 0.330 0.000 -9.493) 9.499 10.365 ( -3.552 0.000 -5.763) 6.769 10.480 ( 0.336 0.000 -0.227) 0.406 10.511 ( 2.350 0.000 -0.701) 2.452 11.565 ( 0.154 0.000 1.798) 1.805 11.644 ( 3.743 0.000 -3.243) 4.952 11.750 ( -0.184 0.000 -0.820) 0.841 11.803 ( -1.021 0.000 -0.456) 1.118 12.299 ( 0.139 0.000 0.810) 0.821 12.309 ( 1.086 0.000 -0.179) 1.101 12.419 ( -1.082 0.000 1.007) 1.478 12.479 ( -2.040 0.000 0.494) 2.099 13.699 ( -1.017 0.000 1.048) 1.460 13.757 ( 1.652 0.000 -0.969) 1.915 13.902 ( -0.384 0.000 0.585) 0.700 13.929 ( 1.943 0.000 -1.727) 2.599 14.748 ( 0.343 0.000 0.228) 0.412 14.762 ( 1.465 0.000 -0.369) 1.511 15.065 ( 2.589 0.000 0.474) 2.632 15.089 ( 1.199 0.000 2.591) 2.854 15.203 ( 0.082 0.000 -0.632) 0.638 15.275 ( 2.025 0.000 3.026) 3.641 15.392 ( 2.973 0.000 -3.536) 4.620 15.529 ( 0.900 0.000 -2.944) 3.079 15.995 ( 2.412 0.000 -0.250) 2.425 16.102 ( 0.333 0.000 1.372) 1.412 16.225 ( 2.038 0.000 0.614) 2.129 16.320 ( -1.430 0.000 -0.488) 1.511 16.838 ( 1.256 0.000 -2.450) 2.753 16.886 ( -1.056 0.000 -1.281) 1.660 17.002 ( 1.278 0.000 2.135) 2.488 17.029 ( 1.392 0.000 -0.341) 1.433 17.591 ( -1.679 0.000 0.639) 1.796 17.694 ( 0.033 0.000 -3.123) 3.124 17.785 ( 5.290 0.000 2.458) 5.833 17.933 ( 2.113 0.000 1.863) 2.817 20.715 ( -1.982 0.000 -0.953) 2.200 20.741 ( -2.456 0.000 -0.178) 2.463 20.988 ( 0.423 0.000 0.851) 0.950 21.035 ( -1.269 0.000 -1.577) 2.025 27.157 ( 0.258 0.000 2.988) 2.999 27.341 ( 4.292 0.000 6.240) 7.573 27.555 ( 5.834 0.000 -8.896) 10.639 28.310 ( 9.293 0.000 -0.836) 9.331 29.476 ( 1.044 0.000 -0.086) 1.048 29.534 ( 1.478 0.000 -0.896) 1.728 29.716 ( 1.881 0.000 1.710) 2.543 29.959 ( -0.553 0.000 1.239) 1.357 29.970 ( 6.214 0.000 -1.680) 6.438 30.151 ( 1.073 0.000 -2.027) 2.293 30.532 ( -0.692 0.000 0.584) 0.906 30.662 ( -0.777 0.000 -1.086) 1.335 31.175 ( -1.635 0.000 2.643) 3.108 31.396 ( -2.944 0.000 14.334) 14.633 31.542 ( 2.550 0.000 1.028) 2.750 31.839 ( -1.582 0.000 -5.192) 5.428 31.844 ( -2.349 0.000 -3.979) 4.621 32.158 ( 3.615 0.000 -3.654) 5.140 32.665 ( -6.890 0.000 -4.399) 8.175 33.126 ( -6.613 0.000 -3.946) 7.701 33.290 ( -1.517 0.000 5.230) 5.446 33.549 ( 6.014 0.000 -4.188) 7.329 33.824 ( 0.165 0.000 5.827) 5.830 34.159 ( 1.138 0.000 -2.413) 2.668 35.076 ( -9.649 0.000 5.388) 11.051 35.371 ( -0.214 0.000 9.111) 9.113 35.521 ( 2.307 0.000 -8.803) 9.100 36.111 ( -3.294 0.000 -2.844) 4.352 ======================= Grid point 53 (21/72) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -18.945 0.000 -1.066) 18.975 1.617 ( -23.476 0.000 6.651) 24.400 1.939 ( -0.463 0.000 -2.582) 2.624 1.982 ( 4.992 0.000 -5.926) 7.749 2.191 ( -3.229 0.000 8.891) 9.459 2.210 ( -1.101 0.000 8.547) 8.618 2.279 ( -0.485 0.000 0.254) 0.547 2.437 ( -7.424 0.000 1.673) 7.610 2.520 ( -8.462 0.000 4.082) 9.395 2.749 ( -6.467 0.000 -6.045) 8.852 2.805 ( 2.237 0.000 6.841) 7.197 3.026 ( 1.554 0.000 0.865) 1.779 3.076 ( -8.580 0.000 4.600) 9.735 3.284 ( 0.153 0.000 1.195) 1.205 3.359 ( -0.652 0.000 0.418) 0.775 3.460 ( 3.108 0.000 -0.460) 3.141 3.567 ( -1.356 0.000 1.081) 1.734 3.590 ( 12.385 0.000 1.442) 12.469 3.776 ( -5.985 0.000 2.409) 6.451 3.948 ( -1.919 0.000 -6.075) 6.371 3.988 ( -1.717 0.000 7.756) 7.944 4.040 ( -5.421 0.000 -10.239) 11.585 4.105 ( -1.832 0.000 -4.045) 4.441 4.174 ( -2.994 0.000 -6.681) 7.321 4.304 ( -2.314 0.000 -5.090) 5.591 4.373 ( 5.077 0.000 -1.484) 5.290 4.469 ( 1.896 0.000 -2.255) 2.946 4.551 ( -0.385 0.000 -2.351) 2.382 4.611 ( -11.302 0.000 9.527) 14.782 4.667 ( -1.280 0.000 -5.841) 5.979 4.757 ( -0.409 0.000 2.222) 2.259 4.789 ( 3.039 0.000 -0.005) 3.039 4.921 ( -0.901 0.000 1.137) 1.450 4.972 ( 7.964 0.000 -0.514) 7.981 5.061 ( 4.707 0.000 0.086) 4.708 5.095 ( 1.671 0.000 -7.090) 7.284 5.168 ( 12.768 0.000 -7.266) 14.690 5.225 ( -0.561 0.000 -2.038) 2.114 5.303 ( 2.004 0.000 -6.867) 7.154 5.368 ( -8.522 0.000 1.958) 8.744 5.527 ( -5.977 0.000 -4.469) 7.463 5.614 ( 7.282 0.000 4.654) 8.642 5.728 ( -1.286 0.000 0.370) 1.338 5.732 ( -0.194 0.000 3.637) 3.642 6.013 ( 4.107 0.000 -1.167) 4.269 6.188 ( 3.046 0.000 -3.057) 4.315 6.548 ( -1.507 0.000 3.547) 3.854 6.702 ( -0.471 0.000 5.600) 5.620 6.895 ( 2.074 0.000 7.468) 7.751 7.127 ( 1.313 0.000 -0.787) 1.531 7.177 ( 2.655 0.000 1.436) 3.019 7.364 ( 3.498 0.000 4.769) 5.914 7.383 ( 2.215 0.000 4.023) 4.592 7.419 ( -5.076 0.000 5.891) 7.776 7.564 ( -0.345 0.000 -5.507) 5.518 7.854 ( -0.357 0.000 -5.735) 5.747 8.621 ( -6.507 0.000 4.907) 8.150 8.880 ( 0.641 0.000 9.409) 9.430 9.164 ( -0.013 0.000 -3.534) 3.534 9.354 ( 2.936 0.000 -4.057) 5.008 9.512 ( 2.192 0.000 5.462) 5.885 9.864 ( -0.074 0.000 -0.537) 0.542 9.992 ( -1.778 0.000 4.464) 4.805 10.001 ( -2.710 0.000 -0.378) 2.736 10.202 ( 6.491 0.000 -7.894) 10.220 10.255 ( -1.435 0.000 -7.568) 7.703 10.515 ( 3.110 0.000 -0.387) 3.134 10.559 ( 2.386 0.000 0.357) 2.412 11.554 ( -2.468 0.000 0.957) 2.647 11.688 ( 3.157 0.000 -2.686) 4.145 11.716 ( -2.181 0.000 -1.509) 2.652 11.774 ( -1.521 0.000 -0.351) 1.561 12.268 ( -2.447 0.000 0.071) 2.448 12.328 ( 0.621 0.000 0.593) 0.859 12.460 ( 2.796 0.000 1.886) 3.372 12.468 ( 0.703 0.000 -0.052) 0.704 13.691 ( -0.403 0.000 0.630) 0.748 13.776 ( 0.702 0.000 -0.438) 0.828 13.882 ( -1.605 0.000 -0.137) 1.611 13.944 ( 0.562 0.000 -1.038) 1.180 14.731 ( -1.852 0.000 -0.149) 1.858 14.780 ( 0.458 0.000 0.104) 0.470 15.106 ( 0.875 0.000 2.003) 2.186 15.107 ( -1.337 0.000 2.585) 2.911 15.156 ( -4.025 0.000 -1.286) 4.226 15.312 ( -0.807 0.000 3.197) 3.297 15.405 ( 1.231 0.000 -3.294) 3.516 15.515 ( -0.381 0.000 -3.415) 3.436 16.034 ( 1.040 0.000 1.194) 1.583 16.077 ( -3.295 0.000 0.494) 3.332 16.238 ( -1.856 0.000 1.753) 2.553 16.266 ( -2.624 0.000 -2.734) 3.790 16.833 ( -0.302 0.000 -1.632) 1.660 16.862 ( -0.120 0.000 -1.989) 1.993 17.005 ( -1.920 0.000 1.271) 2.303 17.060 ( 1.709 0.000 0.501) 1.781 17.578 ( 0.006 0.000 0.189) 0.189 17.687 ( 1.413 0.000 -1.740) 2.242 17.916 ( -4.389 0.000 0.353) 4.404 17.918 ( 5.215 0.000 4.735) 7.043 20.716 ( 2.765 0.000 -0.436) 2.799 20.721 ( 1.053 0.000 -0.890) 1.379 21.023 ( 2.371 0.000 0.486) 2.420 21.054 ( 3.673 0.000 -0.715) 3.742 27.145 ( -3.094 0.000 2.785) 4.163 27.499 ( 3.065 0.000 12.051) 12.434 27.548 ( 0.569 0.000 -8.072) 8.092 28.421 ( 4.149 0.000 -4.031) 5.784 29.481 ( -0.493 0.000 0.195) 0.530 29.525 ( -1.426 0.000 -1.182) 1.853 29.729 ( -2.222 0.000 2.299) 3.197 29.963 ( -0.129 0.000 1.508) 1.514 30.048 ( 3.358 0.000 -3.158) 4.610 30.161 ( 1.933 0.000 -2.768) 3.376 30.543 ( 1.046 0.000 1.177) 1.575 30.642 ( -0.006 0.000 -1.800) 1.800 31.173 ( -1.523 0.000 4.446) 4.700 31.469 ( -2.248 0.000 18.924) 19.057 31.582 ( 0.009 0.000 2.089) 2.089 31.723 ( -3.769 0.000 -7.938) 8.788 31.746 ( -3.767 0.000 -4.225) 5.661 32.256 ( 7.116 0.000 -0.177) 7.118 32.495 ( -6.051 0.000 -7.851) 9.912 32.906 ( -8.122 0.000 -12.026) 14.511 33.297 ( -2.948 0.000 6.261) 6.920 33.608 ( 2.306 0.000 -2.795) 3.623 33.860 ( -1.610 0.000 6.296) 6.499 34.188 ( 3.334 0.000 -1.541) 3.673 34.925 ( -8.407 0.000 -0.105) 8.408 35.469 ( 1.731 0.000 12.924) 13.039 35.575 ( 9.129 0.000 -5.844) 10.839 36.047 ( 0.302 0.000 -5.831) 5.839 ======================= Grid point 54 (22/72) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -25.957 0.000 5.742) 26.584 1.127 ( -29.068 0.000 5.115) 29.515 1.902 ( -16.735 0.000 2.059) 16.861 2.040 ( -11.740 0.000 2.507) 12.005 2.123 ( 7.867 0.000 1.560) 8.020 2.216 ( -3.763 0.000 -4.490) 5.858 2.227 ( -4.866 0.000 9.678) 10.832 2.322 ( -13.272 0.000 6.212) 14.653 2.330 ( -4.148 0.000 4.793) 6.338 2.631 ( -4.024 0.000 8.305) 9.229 2.865 ( 3.096 0.000 -1.581) 3.477 2.887 ( -11.499 0.000 4.302) 12.277 3.033 ( -5.600 0.000 -1.241) 5.736 3.232 ( -5.763 0.000 3.478) 6.731 3.332 ( -1.187 0.000 1.664) 2.044 3.338 ( -21.261 0.000 -5.457) 21.950 3.493 ( 1.255 0.000 -7.025) 7.136 3.660 ( -3.667 0.000 -7.729) 8.555 3.762 ( 5.551 0.000 8.760) 10.370 3.910 ( -0.477 0.000 0.322) 0.575 3.923 ( 2.514 0.000 0.000) 2.514 4.037 ( 3.166 0.000 -3.804) 4.949 4.099 ( -0.337 0.000 1.543) 1.579 4.187 ( 5.972 0.000 -0.869) 6.035 4.223 ( 0.607 0.000 -7.903) 7.926 4.279 ( -5.324 0.000 -7.856) 9.490 4.444 ( -2.122 0.000 -3.548) 4.134 4.472 ( -0.134 0.000 3.318) 3.321 4.603 ( -1.115 0.000 3.467) 3.642 4.685 ( 1.602 0.000 4.775) 5.036 4.751 ( -8.858 0.000 0.239) 8.861 4.822 ( 3.772 0.000 0.447) 3.798 4.939 ( -0.884 0.000 1.752) 1.962 4.941 ( -7.190 0.000 -4.530) 8.499 4.992 ( -0.895 0.000 -4.092) 4.189 5.169 ( -2.513 0.000 -5.912) 6.424 5.241 ( 7.615 0.000 1.079) 7.691 5.254 ( 4.456 0.000 -3.609) 5.734 5.367 ( 5.018 0.000 -1.878) 5.358 5.374 ( 7.180 0.000 -6.900) 9.958 5.454 ( 2.687 0.000 -4.368) 5.128 5.721 ( 2.185 0.000 -2.336) 3.199 5.722 ( -2.307 0.000 3.288) 4.017 5.750 ( 3.347 0.000 3.370) 4.750 6.127 ( 8.160 0.000 -2.932) 8.670 6.253 ( 5.260 0.000 -2.322) 5.749 6.543 ( -2.226 0.000 3.816) 4.418 6.699 ( -4.362 0.000 6.079) 7.482 7.062 ( 6.893 0.000 11.013) 12.993 7.162 ( 1.904 0.000 0.667) 2.018 7.183 ( -1.664 0.000 -0.572) 1.760 7.358 ( -2.382 0.000 -2.047) 3.141 7.465 ( 2.428 0.000 2.145) 3.240 7.498 ( 2.338 0.000 11.270) 11.510 7.536 ( 1.994 0.000 -6.488) 6.787 7.800 ( 1.112 0.000 -5.237) 5.354 8.550 ( -3.974 0.000 4.498) 6.002 8.954 ( -2.134 0.000 14.138) 14.298 9.143 ( 0.927 0.000 -3.412) 3.536 9.422 ( 5.774 0.000 -2.694) 6.372 9.644 ( 6.538 0.000 5.099) 8.291 9.821 ( -3.630 0.000 -0.220) 3.637 9.920 ( -3.855 0.000 -2.624) 4.663 10.006 ( 0.833 0.000 2.067) 2.229 10.224 ( 3.237 0.000 -4.432) 5.489 10.333 ( 11.604 0.000 -5.161) 12.700 10.582 ( 4.675 0.000 -1.334) 4.861 10.601 ( 1.325 0.000 1.100) 1.722 11.497 ( -3.636 0.000 0.086) 3.637 11.645 ( -4.494 0.000 -0.366) 4.509 11.717 ( 1.360 0.000 -1.316) 1.892 11.747 ( -0.336 0.000 -0.820) 0.886 12.234 ( -1.342 0.000 0.783) 1.554 12.351 ( 1.417 0.000 0.586) 1.533 12.493 ( 1.846 0.000 -0.545) 1.925 12.526 ( 2.656 0.000 1.204) 2.916 13.696 ( 0.718 0.000 0.194) 0.744 13.771 ( -1.023 0.000 0.233) 1.050 13.852 ( -0.984 0.000 -0.814) 1.277 13.929 ( -1.418 0.000 -0.790) 1.623 14.691 ( -1.810 0.000 0.008) 1.810 14.775 ( -1.147 0.000 -0.157) 1.158 15.031 ( -7.795 0.000 0.502) 7.811 15.092 ( -1.777 0.000 0.324) 1.807 15.140 ( 0.752 0.000 3.784) 3.858 15.300 ( -2.989 0.000 3.456) 4.569 15.384 ( -1.207 0.000 -3.183) 3.404 15.442 ( -3.384 0.000 -6.363) 7.207 16.010 ( -3.373 0.000 0.050) 3.373 16.041 ( -1.309 0.000 0.443) 1.382 16.179 ( -5.969 0.000 3.121) 6.735 16.179 ( -3.318 0.000 -6.150) 6.988 16.789 ( -3.619 0.000 -0.032) 3.619 16.851 ( 0.745 0.000 -2.025) 2.157 16.982 ( -0.700 0.000 0.952) 1.182 17.102 ( 2.447 0.000 -0.014) 2.447 17.593 ( 1.329 0.000 -0.246) 1.352 17.717 ( 2.578 0.000 -1.098) 2.802 17.805 ( -6.094 0.000 -0.630) 6.126 18.030 ( 2.801 0.000 1.702) 3.278 20.764 ( 3.642 0.000 -0.552) 3.684 20.807 ( 6.279 0.000 0.763) 6.325 21.067 ( 2.312 0.000 -1.659) 2.845 21.140 ( 5.680 0.000 -1.158) 5.797 27.092 ( -4.519 0.000 2.550) 5.188 27.467 ( -2.519 0.000 -6.620) 7.083 27.604 ( -2.088 0.000 11.186) 11.379 28.373 ( -1.686 0.000 -20.575) 20.644 29.463 ( -1.462 0.000 0.285) 1.490 29.474 ( -2.698 0.000 -0.921) 2.851 29.674 ( -4.969 0.000 2.159) 5.418 29.973 ( -0.238 0.000 1.640) 1.657 30.026 ( -0.895 0.000 -13.858) 13.887 30.150 ( 0.360 0.000 -6.454) 6.464 30.578 ( 1.272 0.000 1.375) 1.873 30.640 ( 1.232 0.000 -1.754) 2.144 31.184 ( -1.695 0.000 6.359) 6.581 31.541 ( -3.423 0.000 -4.221) 5.434 31.620 ( 0.279 0.000 20.535) 20.537 31.636 ( -1.310 0.000 -0.289) 1.342 31.662 ( -2.865 0.000 -0.193) 2.871 32.372 ( -1.904 0.000 9.375) 9.566 32.398 ( 7.304 0.000 0.266) 7.309 32.682 ( -5.044 0.000 -11.348) 12.419 33.267 ( -4.537 0.000 4.734) 6.557 33.594 ( -0.648 0.000 -3.754) 3.810 33.860 ( -2.788 0.000 5.152) 5.858 34.239 ( 3.385 0.000 -4.350) 5.512 34.755 ( -8.516 0.000 -1.455) 8.639 35.659 ( 5.837 0.000 20.277) 21.101 35.751 ( 12.238 0.000 -3.315) 12.679 36.028 ( 2.885 0.000 -7.700) 8.223 ======================= Grid point 55 (23/72) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( -23.526 0.000 18.071) 29.665 0.749 ( -20.244 0.000 24.266) 31.602 1.273 ( -44.109 0.000 25.617) 51.008 1.998 ( -0.940 0.000 1.405) 1.690 2.045 ( -3.153 0.000 -7.243) 7.899 2.146 ( -8.614 0.000 12.240) 14.968 2.220 ( -4.058 0.000 4.894) 6.357 2.282 ( 0.762 0.000 1.777) 1.933 2.368 ( 4.012 0.000 5.290) 6.639 2.594 ( -7.977 0.000 -0.497) 7.992 2.676 ( -17.645 0.000 -7.200) 19.057 2.771 ( -6.716 0.000 16.793) 18.086 2.993 ( -8.213 0.000 2.662) 8.633 3.018 ( 8.879 0.000 1.547) 9.013 3.185 ( -5.696 0.000 2.503) 6.222 3.338 ( -0.712 0.000 1.009) 1.235 3.471 ( 3.405 0.000 -12.473) 12.929 3.554 ( 0.887 0.000 -5.757) 5.825 3.840 ( -6.493 0.000 0.792) 6.541 3.865 ( 0.200 0.000 -1.605) 1.617 3.956 ( 5.354 0.000 -0.706) 5.400 4.088 ( -0.120 0.000 1.717) 1.721 4.155 ( 2.042 0.000 5.109) 5.502 4.228 ( 11.293 0.000 -7.069) 13.323 4.239 ( 2.122 0.000 -5.745) 6.124 4.335 ( 0.220 0.000 2.099) 2.111 4.372 ( -2.558 0.000 0.182) 2.564 4.499 ( 2.401 0.000 2.131) 3.210 4.526 ( -5.709 0.000 -4.910) 7.529 4.627 ( 0.491 0.000 5.268) 5.291 4.656 ( -9.035 0.000 -4.197) 9.962 4.745 ( -0.784 0.000 10.902) 10.931 4.912 ( 1.716 0.000 -5.677) 5.931 4.955 ( 3.144 0.000 3.176) 4.469 5.031 ( 0.856 0.000 -0.758) 1.143 5.105 ( -0.151 0.000 -5.135) 5.137 5.196 ( -4.960 0.000 -8.153) 9.543 5.306 ( 3.009 0.000 -10.474) 10.897 5.443 ( 1.928 0.000 -0.573) 2.012 5.480 ( 5.910 0.000 0.250) 5.915 5.494 ( 4.607 0.000 -3.724) 5.924 5.713 ( -1.650 0.000 -5.672) 5.907 5.714 ( 1.444 0.000 -4.054) 4.303 5.805 ( -0.057 0.000 3.512) 3.513 6.236 ( 5.392 0.000 -3.553) 6.458 6.320 ( 2.070 0.000 0.056) 2.070 6.522 ( -3.318 0.000 4.945) 5.955 6.615 ( -7.935 0.000 2.835) 8.427 7.121 ( -3.243 0.000 -0.029) 3.243 7.197 ( 1.123 0.000 0.675) 1.311 7.237 ( -1.046 0.000 1.727) 2.019 7.307 ( 0.308 0.000 4.087) 4.099 7.483 ( -1.432 0.000 -6.546) 6.701 7.515 ( 2.794 0.000 -0.562) 2.850 7.713 ( 12.010 0.000 17.572) 21.284 7.869 ( 6.738 0.000 -0.021) 6.738 8.562 ( 0.411 0.000 7.351) 7.362 9.090 ( 6.105 0.000 20.324) 21.221 9.148 ( 2.055 0.000 -2.914) 3.566 9.492 ( 2.647 0.000 -1.515) 3.050 9.757 ( -3.352 0.000 2.901) 4.433 9.785 ( 3.591 0.000 3.371) 4.925 9.854 ( -1.193 0.000 -0.723) 1.395 10.045 ( 3.063 0.000 -2.540) 3.979 10.335 ( 11.760 0.000 1.645) 11.875 10.506 ( 8.312 0.000 -3.480) 9.011 10.618 ( -0.510 0.000 0.955) 1.083 10.678 ( 6.545 0.000 -1.538) 6.724 11.429 ( -2.782 0.000 -0.395) 2.810 11.553 ( -4.859 0.000 1.139) 4.991 11.713 ( 0.200 0.000 -1.634) 1.646 11.786 ( 4.410 0.000 1.975) 4.832 12.225 ( -0.650 0.000 1.369) 1.515 12.369 ( -0.179 0.000 -2.198) 2.205 12.524 ( 1.652 0.000 0.188) 1.663 12.573 ( 1.398 0.000 0.723) 1.574 13.722 ( 1.778 0.000 -0.090) 1.780 13.751 ( -1.083 0.000 0.381) 1.148 13.835 ( -0.179 0.000 -0.844) 0.863 13.881 ( -2.627 0.000 -1.000) 2.811 14.678 ( 0.844 0.000 -0.261) 0.883 14.734 ( -2.393 0.000 -0.816) 2.528 14.878 ( -8.149 0.000 0.393) 8.158 15.066 ( -1.014 0.000 0.745) 1.258 15.212 ( 0.935 0.000 0.562) 1.091 15.255 ( -8.917 0.000 -13.857) 16.478 15.256 ( -4.445 0.000 3.657) 5.756 15.305 ( -3.632 0.000 -2.191) 4.242 15.934 ( -5.549 0.000 -6.927) 8.875 15.979 ( -3.866 0.000 -2.488) 4.597 16.023 ( -6.834 0.000 -2.773) 7.375 16.103 ( -4.076 0.000 3.787) 5.564 16.726 ( -3.156 0.000 2.863) 4.261 16.859 ( 1.368 0.000 -1.227) 1.838 16.988 ( 0.209 0.000 -0.852) 0.878 17.141 ( 1.894 0.000 -1.531) 2.435 17.605 ( 0.252 0.000 -1.315) 1.339 17.715 ( -2.519 0.000 0.338) 2.542 17.750 ( 1.331 0.000 -2.123) 2.505 17.933 ( -12.959 0.000 -14.061) 19.122 20.830 ( 3.036 0.000 0.130) 3.039 20.936 ( 4.923 0.000 -0.120) 4.924 21.089 ( 2.613 0.000 -0.540) 2.668 21.235 ( 4.885 0.000 -1.360) 5.070 27.019 ( -4.210 0.000 0.764) 4.279 27.384 ( -1.113 0.000 -3.944) 4.099 27.589 ( -6.230 0.000 6.150) 8.754 27.768 ( -39.864 0.000 -56.342) 69.019 29.422 ( -1.828 0.000 -0.630) 1.933 29.436 ( -1.355 0.000 -0.010) 1.355 29.594 ( -4.304 0.000 1.453) 4.543 29.719 ( -13.314 0.000 -15.128) 20.152 29.978 ( -0.508 0.000 1.587) 1.666 30.131 ( 1.207 0.000 -2.567) 2.837 30.606 ( 0.380 0.000 1.496) 1.544 30.658 ( 1.716 0.000 -1.113) 2.045 31.207 ( -1.914 0.000 8.332) 8.549 31.451 ( -1.620 0.000 -4.877) 5.139 31.565 ( -7.020 0.000 -6.770) 9.752 31.634 ( -0.309 0.000 3.213) 3.228 31.675 ( -2.145 0.000 6.870) 7.197 32.475 ( 1.938 0.000 -11.026) 11.195 32.601 ( 2.600 0.000 3.921) 4.705 32.965 ( 38.836 0.000 50.399) 63.626 33.211 ( -2.890 0.000 4.122) 5.034 33.544 ( -0.641 0.000 -5.042) 5.083 33.843 ( -2.756 0.000 4.224) 5.044 34.175 ( -4.140 0.000 -16.743) 17.248 34.634 ( -5.772 0.000 12.337) 13.620 35.931 ( 7.037 0.000 -5.383) 8.860 36.045 ( 5.871 0.000 -4.547) 7.426 36.069 ( 19.845 0.000 23.308) 30.611 ======================= Grid point 56 (24/72) ======================= q-point: ( 0.00 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 2.983 13.981 21.282) 25.637 0.876 ( 2.579 18.586 19.693) 27.201 1.434 ( 0.838 18.520 29.897) 35.178 1.974 ( 1.265 -2.747 2.268) 3.780 2.058 ( 4.690 2.686 -11.144) 12.386 2.069 ( -3.813 -0.884 8.574) 9.425 2.242 ( -5.109 2.905 4.687) 7.517 2.291 ( -0.671 0.480 -0.329) 0.888 2.417 ( 3.052 -4.145 1.310) 5.311 2.500 ( -2.646 -1.321 -1.185) 3.185 2.565 ( -3.340 13.692 1.461) 14.169 2.742 ( -0.220 -2.467 8.453) 8.808 2.835 ( 2.759 -11.427 0.748) 11.779 3.100 ( -3.165 2.293 2.191) 4.480 3.277 ( -1.843 1.248 -3.051) 3.777 3.351 ( 0.717 -2.050 -4.538) 5.031 3.436 ( 3.305 5.110 -3.396) 6.969 3.496 ( 5.222 -9.747 -4.426) 11.911 3.824 ( -2.951 -2.774 1.195) 4.223 3.866 ( 0.814 -0.632 2.249) 2.474 3.925 ( -10.748 5.930 3.782) 12.845 3.997 ( 4.993 -8.532 -3.708) 10.559 4.116 ( -3.042 -0.854 -3.552) 4.754 4.166 ( 2.878 -0.287 -0.335) 2.911 4.235 ( 1.567 1.858 -0.759) 2.546 4.295 ( -5.579 1.384 -5.514) 7.965 4.373 ( 2.973 -3.267 -0.289) 4.426 4.508 ( 0.392 3.528 -3.267) 4.824 4.608 ( -0.126 2.422 5.313) 5.841 4.636 ( 5.011 0.848 1.859) 5.412 4.778 ( 4.931 -0.999 4.900) 7.023 4.855 ( -4.211 1.239 -6.865) 8.149 4.945 ( -4.814 0.614 -2.953) 5.681 5.006 ( -1.470 -2.873 -3.494) 4.757 5.025 ( 2.767 4.213 -1.370) 5.223 5.124 ( 2.141 1.416 0.547) 2.625 5.240 ( 6.367 4.653 -2.451) 8.258 5.264 ( -10.187 12.540 -6.076) 17.261 5.424 ( 0.529 -1.938 -6.133) 6.454 5.448 ( 3.701 -4.831 -4.543) 7.595 5.574 ( -0.081 2.042 -0.385) 2.079 5.639 ( 6.131 -3.492 -2.285) 7.417 5.780 ( -2.132 -0.663 3.356) 4.031 5.879 ( 11.964 4.126 -7.783) 14.857 6.166 ( 0.059 -7.108 5.961) 9.276 6.290 ( -0.998 -1.907 -0.899) 2.333 6.513 ( -4.162 1.254 7.104) 8.328 6.593 ( -2.318 2.786 2.800) 4.580 7.046 ( 0.682 -2.932 0.338) 3.029 7.088 ( -0.997 -6.066 8.162) 10.218 7.227 ( -2.615 -0.440 -3.549) 4.430 7.256 ( -0.737 -2.978 3.158) 4.403 7.440 ( 1.083 0.527 -3.086) 3.312 7.581 ( 0.638 1.533 0.450) 1.721 7.949 ( 1.338 -2.155 1.796) 3.108 7.980 ( -1.953 -2.491 2.327) 3.928 8.646 ( -1.184 2.809 6.443) 7.128 9.025 ( -5.057 -8.240 14.381) 17.329 9.280 ( 0.136 1.492 -4.798) 5.027 9.517 ( -0.396 -0.517 0.785) 1.021 9.784 ( -1.508 -0.756 -2.480) 2.999 9.836 ( 1.620 2.743 -0.331) 3.202 9.884 ( -2.070 4.235 -0.478) 4.738 10.043 ( 1.696 -2.273 -4.227) 5.090 10.469 ( -4.266 -7.006 1.903) 8.420 10.508 ( 3.345 -6.102 4.630) 8.358 10.630 ( 3.499 0.781 -9.492) 10.146 10.748 ( 0.320 -0.413 -2.199) 2.260 11.429 ( 2.662 0.568 0.031) 2.722 11.494 ( -0.385 -1.077 1.627) 1.989 11.693 ( -4.838 -0.582 -2.880) 5.660 11.732 ( 0.515 -1.595 -2.051) 2.649 12.243 ( -1.396 0.618 -1.243) 1.969 12.336 ( 2.076 -1.374 -1.561) 2.938 12.542 ( 0.926 -1.705 1.068) 2.215 12.551 ( -0.556 -2.612 0.366) 2.696 13.747 ( 0.110 1.463 0.436) 1.530 13.767 ( -1.873 1.931 0.297) 2.707 13.829 ( 0.441 0.262 -0.835) 0.980 13.861 ( 0.307 0.558 -1.214) 1.371 14.667 ( -3.576 -1.557 -0.162) 3.903 14.687 ( 2.523 -0.982 -1.063) 2.908 14.774 ( -1.011 1.207 -0.034) 1.575 14.780 ( 0.806 2.411 -0.141) 2.546 15.057 ( 2.114 -3.340 2.013) 4.436 15.115 ( -3.047 -4.399 0.833) 5.415 15.282 ( 0.842 1.246 -0.664) 1.644 15.372 ( 6.472 -1.328 0.113) 6.608 15.837 ( 5.016 1.166 0.074) 5.150 15.916 ( -0.805 0.277 -1.750) 1.946 15.975 ( -1.006 -0.451 2.202) 2.462 16.069 ( -0.546 -1.270 2.417) 2.785 16.743 ( -0.079 1.972 4.268) 4.702 16.890 ( -1.429 1.950 1.302) 2.746 17.042 ( -1.199 5.339 -4.675) 7.197 17.132 ( -0.061 -0.135 -3.303) 3.306 17.466 ( -0.948 -3.998 0.447) 4.133 17.554 ( 0.821 -4.482 -2.406) 5.153 17.787 ( -2.589 6.803 1.285) 7.392 17.887 ( 0.156 7.297 -1.381) 7.428 20.930 ( 1.151 2.868 -0.905) 3.220 20.987 ( -1.633 4.179 -3.122) 5.466 21.137 ( -1.354 -1.019 1.992) 2.615 21.267 ( 0.938 -1.867 -0.823) 2.245 26.930 ( 4.219 2.050 0.252) 4.697 26.997 ( -2.399 3.416 -1.366) 4.393 27.371 ( 6.242 -4.479 1.602) 7.848 27.474 ( -5.701 -2.709 -1.430) 6.472 29.416 ( 0.426 0.970 -0.225) 1.083 29.427 ( -0.270 0.809 -0.377) 0.932 29.557 ( -0.607 0.529 0.566) 0.984 29.570 ( 0.931 0.065 0.418) 1.023 30.156 ( 0.759 6.003 -5.382) 8.098 30.170 ( 0.796 5.674 -3.835) 6.894 30.628 ( -0.852 1.911 0.046) 2.093 30.681 ( 0.797 0.158 -0.545) 0.979 31.269 ( -2.280 2.978 7.488) 8.375 31.343 ( -4.253 -0.477 3.653) 5.627 31.502 ( 0.280 3.673 -4.471) 5.793 31.676 ( 1.631 -0.045 4.595) 4.876 31.785 ( -0.012 5.523 5.146) 7.548 32.385 ( -0.948 -2.435 -4.196) 4.943 32.718 ( 4.911 0.208 6.972) 8.530 33.138 ( -4.024 2.049 -2.722) 5.273 33.386 ( 0.679 -8.402 1.757) 8.610 33.615 ( 2.305 -6.014 4.815) 8.042 33.822 ( -3.320 -2.212 -2.656) 4.793 34.019 ( 8.339 -3.077 -12.614) 15.431 34.877 ( 3.776 5.444 12.364) 14.028 35.570 ( -8.830 -17.690 11.585) 22.916 36.103 ( 0.043 0.937 -3.606) 3.726 36.418 ( -1.655 1.086 -10.921) 11.099 ======================= Grid point 57 (25/72) ======================= q-point: ( 0.14 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 11.844 4.895 22.029) 25.486 1.335 ( 20.632 11.814 18.399) 30.063 1.841 ( 19.304 3.188 12.789) 23.374 1.992 ( -0.906 -1.540 -7.614) 7.820 2.017 ( 0.348 -2.300 -1.504) 2.770 2.179 ( 4.465 3.634 13.635) 14.800 2.263 ( 6.886 3.291 6.515) 10.035 2.322 ( 1.583 2.361 0.033) 2.843 2.483 ( 6.976 0.242 -4.548) 8.331 2.505 ( -0.153 2.142 -0.017) 2.147 2.558 ( 2.341 12.114 6.514) 13.952 2.852 ( 3.945 -1.959 8.482) 9.557 2.969 ( 4.484 -7.095 1.340) 8.500 3.137 ( 6.069 -2.939 5.390) 8.633 3.174 ( -1.645 2.572 -4.946) 5.813 3.314 ( 5.335 -5.677 -10.715) 13.247 3.475 ( -1.855 3.519 1.792) 4.363 3.628 ( -10.392 -1.965 -7.380) 12.897 3.649 ( 8.791 -6.884 2.234) 11.387 3.830 ( -7.179 0.111 4.108) 8.272 3.856 ( 3.393 2.031 -2.813) 4.853 3.992 ( -1.739 -8.479 -7.431) 11.407 4.066 ( -3.115 1.983 0.389) 3.714 4.173 ( 5.030 2.090 -1.828) 5.746 4.238 ( 0.666 1.619 0.859) 1.950 4.315 ( 2.616 3.883 -2.719) 5.414 4.378 ( -0.412 0.367 -2.243) 2.310 4.482 ( -1.648 3.167 -3.019) 4.676 4.574 ( -2.165 -0.062 1.553) 2.665 4.734 ( 1.334 -3.786 -1.244) 4.202 4.766 ( 0.640 0.529 -0.380) 0.913 4.878 ( -2.695 5.999 1.961) 6.863 4.930 ( 6.666 -7.262 1.256) 9.937 4.973 ( 0.273 0.144 -0.108) 0.327 5.038 ( 0.110 3.714 1.253) 3.921 5.062 ( -3.845 3.980 -1.409) 5.711 5.217 ( 2.207 -0.470 -7.570) 7.899 5.271 ( 2.731 3.940 -4.148) 6.339 5.371 ( 0.563 3.087 -0.455) 3.170 5.436 ( -1.404 -0.026 -4.140) 4.371 5.571 ( 0.376 -0.286 -0.825) 0.951 5.697 ( 1.082 -3.380 -3.108) 4.718 5.729 ( -4.858 0.855 2.005) 5.325 6.049 ( 10.994 3.177 -14.505) 18.476 6.180 ( -3.069 -3.450 3.920) 6.057 6.269 ( -1.605 -5.701 2.055) 6.269 6.468 ( -5.350 0.545 6.813) 8.679 6.577 ( -2.288 2.798 3.200) 4.827 7.040 ( -3.710 -0.251 4.851) 6.112 7.110 ( -2.032 -0.353 2.125) 2.961 7.166 ( 0.304 -4.556 -0.706) 4.620 7.258 ( -1.628 -1.793 0.654) 2.508 7.423 ( -1.558 4.322 -2.054) 5.032 7.621 ( 0.704 -4.715 3.730) 6.053 7.823 ( -10.283 -1.482 -0.320) 10.394 7.927 ( -4.792 -1.905 1.460) 5.360 8.652 ( -2.589 2.581 6.134) 7.141 8.963 ( -10.897 -5.018 11.652) 16.723 9.233 ( -0.110 2.109 -2.730) 3.451 9.485 ( -1.820 0.241 -1.234) 2.213 9.719 ( -4.044 2.622 -0.821) 4.889 9.829 ( 0.236 1.176 -0.148) 1.209 9.934 ( 5.724 0.001 0.455) 5.742 10.023 ( -1.912 -1.138 -0.871) 2.389 10.402 ( -3.493 -4.022 2.014) 5.695 10.477 ( -5.076 1.222 -4.735) 7.048 10.556 ( -5.111 -6.251 0.414) 8.085 10.661 ( -6.113 -0.424 -2.164) 6.499 11.474 ( 1.782 -0.007 1.206) 2.152 11.584 ( 5.192 -1.046 1.475) 5.498 11.620 ( 2.052 1.845 -4.093) 4.937 11.763 ( 2.851 -1.296 -1.387) 3.425 12.222 ( -0.451 -0.725 1.005) 1.319 12.316 ( -1.711 -1.968 -1.779) 3.157 12.518 ( -2.502 -2.334 -0.243) 3.430 12.552 ( -1.361 -1.337 0.844) 2.087 13.738 ( -1.551 1.317 0.114) 2.037 13.755 ( 0.361 2.276 0.343) 2.330 13.846 ( 1.878 -0.085 -0.326) 1.908 13.867 ( 1.404 -0.261 -1.248) 1.896 14.660 ( 1.464 -1.054 -0.804) 1.975 14.725 ( 0.864 0.389 -0.025) 0.948 14.800 ( 7.303 -1.496 -0.532) 7.473 14.948 ( 9.251 1.481 -1.739) 9.529 15.090 ( 0.320 -2.790 1.266) 3.080 15.132 ( 3.058 -2.696 0.425) 4.098 15.314 ( 3.880 2.002 -2.006) 4.805 15.486 ( 4.600 -2.695 -2.666) 5.961 15.917 ( 2.988 0.817 -2.813) 4.184 15.969 ( 3.335 0.272 -0.176) 3.351 16.025 ( 5.870 -5.273 1.673) 8.066 16.140 ( 6.358 -2.768 1.723) 7.146 16.799 ( 2.263 1.478 2.591) 3.744 16.883 ( 0.525 3.183 2.112) 3.856 17.005 ( 0.009 5.731 -0.913) 5.803 17.097 ( -0.320 1.687 -4.605) 4.914 17.504 ( 3.387 -5.444 -1.457) 6.575 17.582 ( 2.890 -5.208 -1.772) 6.214 17.764 ( -0.436 6.575 0.295) 6.596 17.894 ( 1.590 7.191 -0.893) 7.419 20.893 ( -4.187 1.998 -0.278) 4.647 20.903 ( -5.266 2.675 -0.042) 5.907 21.074 ( -4.591 -0.049 0.706) 4.645 21.228 ( -4.146 -1.601 -1.013) 4.559 26.988 ( 2.521 1.968 -1.306) 3.454 27.175 ( 12.609 -5.065 -5.056) 14.498 27.393 ( 1.547 -0.600 -5.494) 5.739 27.630 ( 18.206 -7.197 1.891) 19.669 29.432 ( 1.250 0.998 -0.483) 1.671 29.446 ( 2.546 1.070 -0.068) 2.763 29.579 ( 2.465 0.511 0.348) 2.541 29.655 ( 6.870 -2.192 -0.294) 7.218 30.117 ( -0.193 8.346 -4.645) 9.554 30.172 ( 0.870 2.945 -1.536) 3.434 30.601 ( -1.948 1.109 0.048) 2.242 30.685 ( -0.080 -0.293 -0.208) 0.368 31.251 ( -2.622 1.463 1.122) 3.205 31.331 ( -3.125 1.962 10.907) 11.515 31.514 ( 3.551 6.153 -2.933) 7.685 31.752 ( 2.709 -0.152 3.482) 4.415 31.848 ( 1.336 3.264 6.040) 6.994 32.319 ( -1.777 0.910 -6.093) 6.412 32.850 ( 0.797 -4.957 7.483) 9.011 33.053 ( -0.939 3.288 -2.293) 4.117 33.355 ( -2.382 -3.882 -0.732) 4.613 33.590 ( -1.791 2.762 -3.616) 4.890 33.756 ( -1.898 -3.458 0.936) 4.054 34.120 ( 7.300 -5.793 -8.027) 12.300 35.020 ( 0.495 -2.777 12.124) 12.448 35.434 ( -13.093 -11.750 10.577) 20.527 35.934 ( -11.194 6.008 -7.351) 14.678 36.270 ( -4.616 0.899 -2.201) 5.192 ======================= Grid point 58 (26/72) ======================= q-point: ( 0.29 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 9.370 -2.541 14.738) 17.648 1.709 ( 4.741 3.426 9.411) 11.081 1.936 ( -0.281 -2.699 -0.310) 2.731 2.048 ( 3.754 0.351 2.561) 4.558 2.136 ( 7.129 -1.130 -2.382) 7.601 2.270 ( -1.157 1.281 8.784) 8.952 2.346 ( 2.513 2.341 -8.400) 9.075 2.500 ( -0.317 4.618 5.238) 6.990 2.593 ( 4.514 2.261 5.551) 7.504 2.596 ( 9.325 8.947 3.196) 13.312 2.793 ( 16.011 10.007 7.196) 20.206 2.957 ( 1.000 -5.123 -4.564) 6.934 3.016 ( 6.531 -1.316 3.652) 7.598 3.164 ( 2.230 -1.594 0.179) 2.747 3.313 ( 3.807 3.806 3.053) 6.189 3.339 ( 1.828 0.693 -4.786) 5.170 3.440 ( -3.232 1.569 -2.676) 4.479 3.522 ( 9.533 -1.673 -0.040) 9.678 3.655 ( -6.685 -2.435 -6.304) 9.505 3.806 ( -0.037 -1.872 3.722) 4.166 3.923 ( 5.733 -3.874 -4.674) 8.350 3.985 ( 4.450 -11.298 -3.751) 12.709 4.057 ( 8.144 -3.439 -1.677) 8.998 4.216 ( -1.841 1.281 1.214) 2.550 4.273 ( 3.578 3.916 4.386) 6.883 4.333 ( 2.277 5.698 -3.347) 6.990 4.399 ( 0.303 6.028 -2.570) 6.560 4.440 ( 2.127 0.089 4.405) 4.892 4.599 ( 2.809 -1.352 -2.063) 3.738 4.695 ( -3.335 -2.027 -3.145) 5.012 4.753 ( -2.616 -5.091 -1.528) 5.925 4.854 ( 0.513 6.036 0.002) 6.058 4.924 ( -1.530 0.609 0.051) 1.647 4.974 ( -3.075 3.752 -1.136) 4.982 5.065 ( 0.630 -5.877 -4.109) 7.199 5.096 ( -2.644 -1.436 -4.433) 5.358 5.141 ( 7.658 -0.550 -3.582) 8.472 5.293 ( 0.614 2.255 -2.384) 3.338 5.370 ( -1.471 -1.401 3.216) 3.804 5.493 ( 6.184 2.827 1.971) 7.079 5.586 ( 0.587 1.528 -2.719) 3.174 5.617 ( -6.524 -0.778 0.824) 6.621 5.661 ( -1.657 -0.483 0.091) 1.728 6.012 ( -5.799 3.607 -5.358) 8.680 6.121 ( -7.524 3.741 -0.791) 8.440 6.213 ( -3.907 -5.395 4.808) 8.215 6.464 ( -0.021 -4.985 3.094) 5.868 6.567 ( -0.027 1.442 2.262) 2.683 6.977 ( -5.706 -1.065 0.524) 5.828 7.057 ( -2.743 0.152 4.199) 5.018 7.192 ( -2.447 -2.540 0.535) 3.567 7.254 ( 4.119 2.190 0.064) 4.665 7.366 ( -2.056 4.566 0.020) 5.008 7.579 ( -7.363 -1.428 4.462) 8.727 7.723 ( -2.495 -2.775 -0.904) 3.839 7.844 ( -1.614 -2.042 -2.225) 3.424 8.658 ( -1.725 0.876 6.455) 6.739 8.849 ( -8.052 -3.285 6.543) 10.883 9.223 ( 0.196 1.171 -1.256) 1.728 9.437 ( -2.374 -0.796 -2.047) 3.234 9.616 ( -5.230 4.795 0.595) 7.120 9.870 ( 1.908 -0.814 -0.277) 2.093 9.959 ( -3.193 -0.022 1.304) 3.449 10.034 ( 2.663 0.658 1.857) 3.312 10.317 ( -4.053 0.512 -8.674) 9.588 10.376 ( -2.746 -4.120 2.679) 5.629 10.464 ( -2.631 -4.338 -2.569) 5.686 10.546 ( -4.027 -0.212 -0.436) 4.056 11.518 ( 2.219 -0.822 -0.046) 2.367 11.623 ( 2.188 1.386 -1.561) 3.024 11.694 ( 2.964 -1.976 -0.621) 3.616 11.808 ( 2.289 -0.101 -0.006) 2.291 12.243 ( 1.551 -1.562 1.650) 2.751 12.281 ( -0.536 -1.931 -0.647) 2.106 12.454 ( -3.656 -1.700 -0.580) 4.073 12.516 ( -2.686 -0.987 0.456) 2.898 13.713 ( -1.253 0.601 0.686) 1.550 13.763 ( 0.497 2.105 -0.339) 2.189 13.883 ( 1.165 -0.386 0.466) 1.312 13.886 ( 2.187 -1.325 -1.903) 3.187 14.702 ( 2.780 -0.535 0.210) 2.838 14.749 ( 1.067 0.779 -0.023) 1.322 14.939 ( 6.856 -2.423 0.452) 7.285 15.070 ( 3.817 2.442 -1.026) 4.646 15.125 ( 3.241 -3.589 0.830) 4.906 15.199 ( 3.334 -1.172 1.281) 3.760 15.376 ( 4.096 2.087 -3.091) 5.540 15.516 ( 1.609 -1.342 -3.233) 3.852 15.957 ( 3.025 0.855 -2.107) 3.784 16.035 ( 2.901 -1.006 2.396) 3.894 16.133 ( 4.676 -2.701 0.036) 5.400 16.251 ( 2.842 -4.745 1.016) 5.623 16.844 ( 2.096 2.049 -1.570) 3.325 16.939 ( 1.538 3.003 3.357) 4.760 17.015 ( 0.861 5.751 0.756) 5.864 17.065 ( 0.585 3.467 -3.426) 4.909 17.529 ( 0.388 -5.637 -0.926) 5.725 17.620 ( 1.881 -5.820 -0.845) 6.175 17.785 ( 3.074 6.547 -0.997) 7.301 17.946 ( 4.069 6.608 0.364) 7.769 20.789 ( -5.870 -0.129 -0.398) 5.885 20.802 ( -5.406 0.140 1.105) 5.519 21.007 ( -2.507 0.411 -0.034) 2.540 21.116 ( -5.422 -0.839 -1.917) 5.812 27.067 ( 5.008 0.315 1.944) 5.381 27.238 ( 0.627 -4.650 -1.998) 5.100 27.480 ( 9.712 0.781 -7.085) 12.047 27.968 ( 15.125 -9.709 -0.813) 17.991 29.461 ( 1.825 1.124 -0.231) 2.156 29.501 ( 3.052 0.989 -0.281) 3.220 29.646 ( 3.720 0.050 0.672) 3.780 29.796 ( 7.920 -3.169 -0.545) 8.548 30.077 ( -1.053 7.764 -2.542) 8.237 30.177 ( 0.827 2.935 -1.454) 3.378 30.561 ( -2.055 0.579 0.123) 2.139 30.677 ( -0.547 -0.583 -0.375) 0.883 31.217 ( -1.805 2.246 1.478) 3.238 31.364 ( -2.846 1.560 11.765) 12.205 31.577 ( 4.383 7.586 -1.003) 8.819 31.816 ( 1.694 -0.832 0.441) 1.938 31.908 ( 1.229 2.824 2.690) 4.089 32.228 ( -2.242 2.234 -6.392) 7.132 32.795 ( -6.433 -2.762 -0.955) 7.066 33.110 ( 1.981 -2.154 4.760) 5.588 33.323 ( -0.364 1.769 0.319) 1.834 33.548 ( 1.560 3.921 -6.575) 7.813 33.759 ( 0.518 -2.521 3.480) 4.328 34.161 ( 2.867 -2.056 -5.172) 6.260 35.072 ( -4.985 -7.160 11.652) 14.556 35.297 ( -7.488 -6.572 7.571) 12.513 35.689 ( -6.988 5.566 -8.641) 12.428 36.168 ( -5.088 -3.131 -1.510) 6.162 ======================= Grid point 59 (27/72) ======================= q-point: ( 0.43 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -5.318 -7.807 0.137) 9.447 1.752 ( 0.652 -4.736 0.871) 4.859 1.987 ( 1.235 0.301 1.286) 1.808 2.110 ( -0.203 -0.909 2.879) 3.026 2.155 ( -6.459 4.209 2.626) 8.144 2.269 ( 0.626 3.494 -8.415) 9.132 2.345 ( -1.072 8.688 12.134) 14.962 2.531 ( -0.145 1.743 4.876) 5.180 2.570 ( -3.257 2.328 -5.983) 7.199 2.790 ( 1.925 5.626 10.641) 12.190 2.945 ( 3.847 8.747 -7.104) 11.907 2.986 ( 2.820 -2.472 -0.875) 3.851 3.143 ( 3.038 0.422 4.204) 5.204 3.253 ( 3.737 1.356 2.228) 4.558 3.356 ( 5.718 -3.212 -3.731) 7.545 3.421 ( -4.386 3.461 -4.294) 7.046 3.430 ( 0.825 2.336 0.193) 2.485 3.521 ( 5.987 4.124 8.326) 11.053 3.724 ( 3.743 -1.461 0.614) 4.065 3.841 ( 3.751 -5.758 4.711) 8.331 3.974 ( 2.787 -2.545 -3.914) 5.437 4.044 ( 1.953 -4.564 -6.865) 8.472 4.165 ( 3.905 -5.534 3.183) 7.483 4.230 ( -1.685 -6.955 -3.373) 7.912 4.326 ( 1.833 5.995 -3.291) 7.081 4.415 ( 1.672 3.620 -1.235) 4.174 4.434 ( 7.541 -0.238 -0.610) 7.569 4.498 ( 1.160 3.680 1.825) 4.269 4.610 ( 0.060 -5.802 -3.693) 6.878 4.648 ( -4.963 -5.325 0.490) 7.296 4.682 ( 5.618 0.889 2.241) 6.114 4.857 ( -4.642 1.825 2.297) 5.491 4.889 ( -0.543 5.299 -2.472) 5.872 4.939 ( 2.822 -1.593 -5.179) 6.110 4.983 ( 2.776 -0.890 -6.884) 7.476 5.095 ( 0.338 1.740 -1.599) 2.387 5.195 ( 2.599 2.563 -4.812) 6.040 5.271 ( 0.395 -1.127 -3.062) 3.286 5.405 ( -8.675 -1.169 1.466) 8.875 5.450 ( 1.880 -2.309 3.313) 4.454 5.523 ( -6.910 -2.018 2.172) 7.519 5.596 ( 0.979 -2.242 -0.361) 2.473 5.679 ( -2.367 4.224 2.921) 5.655 5.834 ( -4.166 6.080 -2.303) 7.722 5.999 ( -4.223 -0.300 2.441) 4.887 6.184 ( -0.447 -0.884 -1.774) 2.032 6.480 ( -2.615 -5.827 7.415) 9.786 6.616 ( 4.087 -2.010 -0.857) 4.634 6.884 ( -3.697 0.596 1.536) 4.047 7.076 ( 0.756 -0.049 2.935) 3.031 7.164 ( -0.499 0.372 3.069) 3.131 7.301 ( 1.237 2.725 -2.215) 3.723 7.390 ( 2.106 3.116 3.617) 5.217 7.472 ( -6.017 -0.558 2.921) 6.712 7.650 ( -3.307 1.099 -1.253) 3.703 7.831 ( 1.695 -4.151 -4.740) 6.525 8.673 ( -3.849 -0.777 7.540) 8.501 8.782 ( -1.917 -3.365 4.232) 5.737 9.222 ( 0.901 2.588 -1.565) 3.156 9.360 ( -2.594 -1.026 -3.785) 4.702 9.555 ( -2.512 5.000 2.543) 6.146 9.857 ( -0.675 0.829 -0.847) 1.363 9.958 ( -0.153 -1.657 2.334) 2.867 10.057 ( -1.091 -0.712 0.376) 1.356 10.209 ( -0.232 2.014 -6.954) 7.244 10.325 ( -2.037 -3.407 -3.358) 5.199 10.450 ( 1.340 -3.969 0.406) 4.208 10.509 ( 0.171 0.448 -0.358) 0.598 11.550 ( 1.067 -1.357 -0.464) 1.788 11.646 ( 1.210 -1.178 -1.851) 2.506 11.713 ( 0.487 -0.687 -0.534) 0.997 11.834 ( 0.205 1.540 -0.042) 1.554 12.282 ( 0.612 -1.940 0.106) 2.037 12.292 ( 1.097 -1.269 0.980) 1.943 12.393 ( -1.411 -1.902 0.550) 2.431 12.470 ( -1.945 -0.931 0.125) 2.160 13.701 ( -0.736 0.389 0.971) 1.279 13.771 ( 0.731 1.142 -0.622) 1.492 13.893 ( -0.044 -1.077 -0.247) 1.106 13.913 ( 1.558 -1.283 -1.165) 2.331 14.745 ( 0.408 -0.233 0.362) 0.594 14.756 ( 0.639 -0.483 -0.199) 0.825 15.057 ( 4.477 -0.540 1.054) 4.631 15.095 ( -0.451 0.740 1.407) 1.652 15.186 ( 1.978 -1.432 -0.658) 2.529 15.267 ( 1.586 -0.953 2.694) 3.268 15.414 ( 2.492 1.804 -3.234) 4.463 15.514 ( 1.161 -1.252 -3.258) 3.678 15.999 ( 2.352 0.697 -0.356) 2.478 16.083 ( -0.049 -1.478 1.467) 2.083 16.202 ( 2.342 -2.339 0.262) 3.320 16.267 ( -1.357 -4.361 0.341) 4.580 16.862 ( 1.331 2.866 -1.831) 3.652 16.949 ( -1.537 4.503 0.429) 4.778 17.040 ( 0.758 3.575 0.376) 3.673 17.072 ( 1.351 3.439 -0.767) 3.773 17.527 ( -0.037 -4.318 0.764) 4.385 17.633 ( 0.368 -4.616 -1.145) 4.770 17.862 ( 4.731 6.494 1.346) 8.146 18.020 ( 1.858 5.930 1.002) 6.295 20.696 ( -2.665 -1.528 -0.679) 3.146 20.724 ( -3.075 -1.618 0.298) 3.487 20.984 ( 0.035 -0.174 0.275) 0.328 21.033 ( -1.239 -0.260 -1.491) 1.956 27.154 ( 0.408 -0.301 2.889) 2.933 27.276 ( 4.012 -4.919 3.860) 7.430 27.579 ( 5.410 1.675 -5.554) 7.933 28.173 ( 7.323 -11.904 -1.355) 14.041 29.489 ( 0.989 1.161 0.105) 1.529 29.542 ( 1.311 0.782 -0.665) 1.665 29.710 ( 1.752 -0.538 1.343) 2.272 29.918 ( 3.890 -4.378 -1.575) 6.064 30.054 ( 1.064 7.988 0.422) 8.070 30.179 ( 0.583 2.806 -1.675) 3.319 30.536 ( -0.589 0.507 0.610) 0.988 30.663 ( -0.324 -0.337 -0.826) 0.949 31.204 ( -1.398 3.045 2.908) 4.437 31.401 ( -3.006 0.748 12.135) 12.524 31.656 ( 3.523 8.641 1.584) 9.465 31.793 ( -2.249 -1.314 -4.799) 5.460 31.918 ( -1.508 4.242 -1.934) 4.900 32.179 ( 2.001 1.258 -2.378) 3.353 32.660 ( -5.055 0.211 -4.604) 6.840 33.089 ( -4.789 -3.400 -3.803) 6.997 33.342 ( 0.263 4.642 3.138) 5.609 33.557 ( 3.477 1.461 -4.241) 5.676 33.815 ( 0.805 -0.899 5.661) 5.788 34.169 ( 1.931 0.160 -3.205) 3.745 35.011 ( -8.166 -5.352 6.675) 11.827 35.283 ( -1.409 -7.696 8.878) 11.834 35.561 ( 0.890 3.463 -8.090) 8.845 36.065 ( -2.920 -4.371 -3.944) 6.572 ======================= Grid point 60 (28/72) ======================= q-point: (-0.43 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -14.218 -7.984 -2.123) 16.444 1.691 ( -12.835 3.570 1.376) 13.393 1.967 ( 1.166 1.116 -4.068) 4.376 1.978 ( -4.036 3.967 -1.830) 5.948 2.135 ( -0.801 -2.510 1.582) 3.073 2.280 ( 0.340 4.528 1.057) 4.662 2.320 ( -5.472 4.164 -0.042) 6.876 2.499 ( -2.537 4.939 4.295) 7.020 2.604 ( 0.170 -2.933 5.590) 6.315 2.775 ( -4.075 1.887 -0.520) 4.520 2.866 ( -12.654 15.040 2.691) 19.839 3.001 ( 0.528 -2.628 0.810) 2.800 3.189 ( -5.736 6.406 3.767) 9.388 3.273 ( -6.743 -5.511 -0.024) 8.708 3.320 ( 2.435 4.032 2.813) 5.486 3.487 ( 10.021 -2.225 0.475) 10.276 3.551 ( 3.591 3.386 -4.715) 6.826 3.634 ( 2.715 1.018 5.393) 6.123 3.710 ( -4.089 -2.159 -0.418) 4.643 3.885 ( -7.010 -7.344 2.136) 10.375 3.924 ( -2.822 -5.592 -2.180) 6.632 3.991 ( -1.476 -1.705 -4.537) 5.066 4.080 ( -4.213 -2.218 -0.943) 4.854 4.235 ( -0.709 2.944 -3.604) 4.707 4.320 ( -1.443 -1.755 0.404) 2.308 4.426 ( 2.355 5.716 0.377) 6.194 4.471 ( 0.032 1.527 -7.396) 7.552 4.529 ( -4.161 -2.486 -0.947) 4.938 4.567 ( 2.320 -0.586 -2.869) 3.736 4.640 ( 6.341 -4.300 -1.935) 7.902 4.793 ( -6.171 3.680 3.249) 7.885 4.821 ( -0.869 1.501 6.785) 7.003 4.879 ( 1.174 -1.339 -5.599) 5.876 4.932 ( 9.176 -3.979 -0.425) 10.010 5.051 ( -1.966 -2.621 -2.973) 4.424 5.116 ( 5.584 3.862 0.166) 6.792 5.219 ( 0.324 -0.630 -2.806) 2.894 5.264 ( 4.350 1.439 -4.634) 6.517 5.302 ( -0.523 2.215 -1.269) 2.606 5.392 ( -1.778 2.462 -0.686) 3.113 5.486 ( -1.497 -3.113 -3.640) 5.018 5.630 ( 4.136 2.361 3.793) 6.088 5.683 ( -0.683 -1.883 5.394) 5.754 5.787 ( -2.517 2.729 -0.780) 3.793 5.980 ( 0.942 -1.923 0.415) 2.181 6.192 ( 3.280 0.128 -2.885) 4.370 6.490 ( -2.151 -5.441 7.388) 9.424 6.683 ( 1.543 -2.863 1.988) 3.812 6.872 ( -0.042 -0.775 4.685) 4.749 7.116 ( 3.187 -0.771 -1.463) 3.591 7.186 ( -1.238 0.757 0.493) 1.532 7.328 ( 2.315 -2.036 3.916) 4.984 7.402 ( -1.336 -1.181 3.072) 3.552 7.483 ( 2.887 6.918 3.669) 8.346 7.591 ( -1.182 2.514 -3.112) 4.172 7.810 ( 0.368 -4.033 -5.878) 7.138 8.623 ( -5.292 0.170 5.227) 7.440 8.841 ( 1.975 -3.250 6.678) 7.685 9.221 ( -0.223 4.559 -1.451) 4.790 9.327 ( 3.265 -1.206 -4.111) 5.386 9.564 ( 1.537 3.629 2.790) 4.829 9.852 ( 0.031 0.015 -0.549) 0.550 9.967 ( 0.097 -0.321 0.989) 1.045 10.027 ( -1.178 -2.429 -0.982) 2.873 10.167 ( -0.303 0.472 -6.123) 6.149 10.303 ( 3.722 2.745 -2.720) 5.365 10.491 ( 2.016 -5.351 0.616) 5.752 10.531 ( 2.165 0.520 -0.335) 2.251 11.540 ( -1.753 -1.268 -0.598) 2.244 11.639 ( 0.165 -3.812 -2.937) 4.815 11.722 ( 0.403 1.545 0.505) 1.675 11.821 ( -1.095 2.568 -0.523) 2.841 12.262 ( -2.457 -0.639 0.338) 2.561 12.303 ( 0.273 -1.982 0.647) 2.102 12.432 ( 3.067 -2.337 1.652) 4.195 12.456 ( 0.756 -1.094 -0.552) 1.439 13.700 ( -0.013 0.878 0.841) 1.216 13.779 ( 0.457 0.351 -0.357) 0.678 13.876 ( -1.244 -0.670 -0.681) 1.568 13.927 ( 0.602 -1.544 -0.825) 1.852 14.721 ( -2.101 -0.752 -0.034) 2.232 14.775 ( 0.517 -0.729 0.264) 0.932 15.066 ( -3.049 -1.189 1.491) 3.597 15.116 ( -0.401 -0.553 0.130) 0.695 15.189 ( -0.978 2.106 1.134) 2.584 15.287 ( -1.684 -2.183 2.732) 3.881 15.422 ( 1.105 1.448 -3.245) 3.721 15.508 ( 0.398 -0.556 -3.513) 3.579 16.034 ( 0.312 -0.027 1.319) 1.356 16.054 ( -3.006 -1.598 0.132) 3.407 16.209 ( -2.691 -4.069 -1.152) 5.013 16.222 ( -2.423 -2.341 0.924) 3.493 16.866 ( 0.063 3.263 -1.153) 3.461 16.918 ( -1.141 4.623 -1.161) 4.901 17.033 ( -1.574 2.461 0.611) 2.984 17.094 ( 1.527 2.595 -0.341) 3.030 17.541 ( 0.307 -2.847 0.956) 3.019 17.630 ( 0.736 -4.066 -0.997) 4.251 17.956 ( 0.810 4.599 3.402) 5.778 18.013 ( -1.205 5.956 0.370) 6.088 20.691 ( 2.004 -1.938 -0.484) 2.829 20.709 ( 2.347 -1.359 -0.296) 2.728 21.010 ( 2.233 -0.912 0.215) 2.421 21.047 ( 3.231 -0.709 -0.933) 3.437 27.148 ( -2.612 0.376 2.907) 3.926 27.391 ( 2.221 -6.759 5.261) 8.848 27.600 ( 0.174 1.880 -1.472) 2.394 28.219 ( -0.565 -16.479 -4.491) 17.089 29.495 ( -0.567 1.201 0.354) 1.374 29.536 ( -1.299 1.036 -0.889) 1.884 29.721 ( -1.986 -0.749 1.859) 2.822 29.892 ( -3.483 -4.749 -1.840) 6.171 30.133 ( 4.493 5.869 -0.654) 7.420 30.177 ( 1.361 2.070 -1.674) 2.990 30.552 ( 1.361 0.834 1.138) 1.960 30.657 ( 0.583 0.554 -1.152) 1.405 31.207 ( -1.512 3.634 4.841) 6.240 31.437 ( -3.348 -0.737 12.351) 12.818 31.687 ( -3.173 -1.391 -6.201) 7.103 31.718 ( 0.056 6.177 1.945) 6.476 31.841 ( -2.946 7.963 -1.174) 8.571 32.252 ( 3.811 -0.940 3.119) 5.013 32.545 ( -0.976 5.209 -8.569) 10.075 32.922 ( -4.799 1.432 -11.384) 12.437 33.353 ( -2.717 5.424 4.546) 7.581 33.586 ( 1.636 -1.503 -2.300) 3.198 33.853 ( -1.555 -0.777 5.667) 5.928 34.192 ( 2.731 -0.461 -2.935) 4.036 34.888 ( -8.021 -2.766 2.395) 8.816 35.355 ( 0.332 -9.231 11.611) 14.837 35.611 ( 9.755 2.543 -5.293) 11.386 36.014 ( 1.973 -3.333 -6.369) 7.454 ======================= Grid point 61 (29/72) ======================= q-point: (-0.29 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -18.881 0.587 2.675) 19.079 1.337 ( -21.124 17.826 2.087) 27.719 1.954 ( -2.324 0.316 -2.495) 3.424 2.014 ( 1.749 -3.337 4.310) 5.725 2.102 ( -11.093 4.650 -0.216) 12.030 2.154 ( -8.251 -0.872 2.575) 8.688 2.240 ( -2.192 0.597 -1.839) 2.923 2.405 ( -13.006 5.582 5.343) 15.128 2.574 ( -9.120 14.699 5.629) 18.192 2.614 ( -3.975 -4.830 5.361) 8.239 2.758 ( -0.889 2.506 -0.075) 2.660 2.981 ( -7.299 -6.776 0.821) 9.993 3.080 ( -5.401 9.161 5.366) 11.911 3.183 ( -5.158 -4.402 2.022) 7.076 3.283 ( -18.170 -2.973 -5.276) 19.153 3.357 ( -0.488 3.538 0.404) 3.594 3.538 ( -3.570 1.196 -6.940) 7.895 3.666 ( 0.707 3.731 -3.948) 5.478 3.717 ( 4.394 -4.682 5.909) 8.727 3.780 ( 1.144 -7.350 -6.272) 9.730 3.930 ( -1.072 -3.727 -1.769) 4.262 4.028 ( 0.624 -2.019 1.157) 2.409 4.062 ( 3.491 0.124 7.803) 8.549 4.149 ( -3.485 -1.488 -0.908) 3.897 4.242 ( -1.734 -2.548 -7.438) 8.051 4.376 ( -0.831 7.262 -6.459) 9.754 4.445 ( -2.800 0.947 0.692) 3.036 4.509 ( 2.417 2.887 3.417) 5.084 4.594 ( 2.859 2.742 -2.147) 4.506 4.753 ( -2.384 0.940 -3.155) 4.065 4.767 ( -2.988 0.419 7.850) 8.410 4.829 ( 6.452 0.845 0.388) 6.519 4.861 ( -7.996 -3.743 -5.460) 10.381 4.921 ( 2.593 -1.020 3.699) 4.631 5.058 ( -2.445 4.112 -0.966) 4.881 5.154 ( 2.164 -4.279 -3.824) 6.133 5.215 ( 3.697 -0.365 -4.714) 6.001 5.319 ( 5.107 4.592 1.319) 6.994 5.353 ( 3.939 0.185 -0.047) 3.943 5.417 ( 2.231 1.579 -6.173) 6.751 5.489 ( 5.011 4.375 -4.667) 8.126 5.698 ( -0.502 -1.405 4.793) 5.020 5.732 ( 1.363 -0.576 0.525) 1.570 5.740 ( 0.594 0.189 0.765) 0.987 6.049 ( 5.797 -4.807 -1.798) 7.742 6.250 ( 4.441 -1.318 -2.627) 5.326 6.507 ( -2.016 -3.634 6.624) 7.820 6.688 ( -2.933 -1.336 3.480) 4.743 6.930 ( 0.676 -7.630 6.018) 9.741 7.110 ( -1.745 -3.520 -2.302) 4.554 7.209 ( 3.035 -0.422 1.058) 3.241 7.375 ( -0.241 -1.402 -0.860) 1.662 7.443 ( 0.242 -0.197 6.449) 6.457 7.563 ( 2.038 3.852 -4.139) 6.010 7.589 ( 5.097 6.152 4.473) 9.156 7.787 ( 2.905 -1.484 -4.369) 5.452 8.579 ( -2.750 2.708 4.348) 5.814 8.920 ( -0.564 -2.251 9.448) 9.729 9.212 ( 1.438 4.858 -2.164) 5.509 9.398 ( 5.476 -1.186 -1.584) 5.823 9.655 ( 5.300 0.703 2.203) 5.783 9.844 ( -0.317 2.361 0.963) 2.570 9.948 ( -3.153 1.669 -3.043) 4.688 10.007 ( 0.580 -0.760 0.735) 1.206 10.156 ( 4.939 -3.069 -4.775) 7.524 10.411 ( 8.705 4.905 -2.273) 10.247 10.525 ( 0.711 -6.654 1.136) 6.787 10.587 ( 4.465 0.387 -1.296) 4.665 11.486 ( -2.939 -0.835 -0.811) 3.162 11.604 ( -1.998 -2.815 -1.913) 3.947 11.730 ( -0.028 1.038 -0.005) 1.038 11.793 ( -1.208 2.742 -0.197) 3.003 12.229 ( -1.208 -0.352 0.896) 1.545 12.317 ( 0.869 -2.651 0.419) 2.821 12.479 ( 2.004 -1.183 -1.019) 2.540 12.502 ( 2.733 -2.222 1.105) 3.691 13.716 ( 1.177 1.725 0.535) 2.155 13.777 ( -0.608 0.498 0.103) 0.793 13.847 ( -0.782 -0.426 -1.062) 1.386 13.918 ( -1.074 -1.062 -0.536) 1.603 14.678 ( -2.126 -0.823 0.050) 2.280 14.778 ( -0.472 -0.407 0.344) 0.712 14.992 ( -6.869 -2.425 1.890) 7.526 15.053 ( -3.348 -2.696 -1.125) 4.443 15.187 ( -1.840 2.468 2.598) 4.028 15.251 ( -3.796 -3.414 2.008) 5.486 15.401 ( -1.293 1.320 -2.566) 3.162 15.453 ( -2.532 0.786 -6.141) 6.689 15.972 ( -4.396 -3.269 -0.762) 5.531 16.035 ( -2.121 -0.825 0.363) 2.305 16.112 ( -5.044 -4.094 -2.526) 6.971 16.166 ( -5.133 -1.204 2.524) 5.846 16.829 ( -3.883 3.477 0.278) 5.220 16.892 ( -0.159 3.712 -1.361) 3.957 17.020 ( 0.185 2.991 0.852) 3.115 17.128 ( 2.329 1.710 -0.718) 2.977 17.541 ( -0.416 -4.093 -0.467) 4.141 17.646 ( 0.752 -4.455 -0.374) 4.533 17.898 ( -4.000 5.799 -0.393) 7.055 18.036 ( -1.299 1.015 1.842) 2.472 20.754 ( 5.145 -0.537 -0.338) 5.184 20.809 ( 7.001 0.026 0.923) 7.061 21.056 ( 2.651 -0.732 -1.128) 2.972 21.125 ( 5.431 -1.440 -1.294) 5.766 27.106 ( -4.043 1.293 2.537) 4.946 27.399 ( -2.359 -5.869 -1.639) 6.534 27.581 ( -4.321 -2.204 5.188) 7.102 28.045 ( -12.122 -22.761 -13.328) 29.029 29.475 ( -1.697 1.085 0.239) 2.028 29.488 ( -2.661 1.247 -0.691) 3.019 29.670 ( -4.501 -0.361 1.857) 4.883 29.782 ( -6.434 -6.333 -2.275) 9.310 30.154 ( 0.930 3.357 -2.417) 4.240 30.222 ( 3.865 4.075 -5.583) 7.920 30.594 ( 1.932 1.340 0.879) 2.510 30.664 ( 1.180 1.422 -1.919) 2.664 31.221 ( -1.820 3.995 7.068) 8.320 31.446 ( -4.235 -2.424 7.115) 8.628 31.611 ( -1.536 -1.448 -0.085) 2.113 31.662 ( -3.475 -0.236 -2.856) 4.504 31.837 ( -1.151 9.649 3.290) 10.259 32.333 ( -0.400 -2.840 11.361) 11.717 32.531 ( 5.450 9.066 -7.366) 12.891 32.812 ( 4.175 10.855 -7.203) 13.680 33.309 ( -4.732 4.363 3.173) 7.176 33.575 ( -0.549 -1.615 -2.794) 3.273 33.851 ( -2.504 -1.057 4.661) 5.396 34.205 ( 1.379 -4.073 -6.271) 7.604 34.766 ( -5.887 1.853 2.422) 6.630 35.465 ( 0.539 -12.010 14.129) 18.552 35.832 ( 15.566 3.003 -1.650) 15.939 36.045 ( 7.043 0.415 -7.172) 10.060 ======================= Grid point 62 (30/72) ======================= q-point: (-0.14 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -15.412 10.006 13.829) 22.998 1.006 ( -17.982 25.209 7.146) 31.779 1.517 ( -32.341 16.190 19.856) 41.259 1.975 ( -1.828 -2.720 2.153) 3.921 2.080 ( -3.114 -1.967 4.445) 5.773 2.105 ( -0.214 2.257 -4.872) 5.374 2.227 ( -2.578 3.337 2.629) 4.969 2.300 ( 2.535 -3.140 5.515) 6.833 2.474 ( -9.836 -1.530 -0.237) 9.957 2.562 ( -2.722 9.338 3.070) 10.200 2.720 ( -13.431 -5.040 0.581) 14.358 2.739 ( -3.921 3.246 -0.170) 5.093 2.874 ( -6.245 -7.890 -2.116) 10.282 3.155 ( 0.756 0.792 -0.093) 1.099 3.221 ( -3.477 11.536 13.971) 18.448 3.332 ( 1.230 -2.569 -2.859) 4.035 3.468 ( 1.575 -3.993 -7.695) 8.811 3.560 ( -2.805 0.924 -12.128) 12.482 3.784 ( 1.208 -0.532 2.707) 3.012 3.846 ( 1.592 -3.997 3.805) 5.744 3.910 ( 1.758 -9.286 0.149) 9.452 4.016 ( 2.193 4.561 -2.296) 5.557 4.117 ( 0.036 -3.447 1.079) 3.612 4.154 ( 2.896 0.626 -1.755) 3.443 4.243 ( -1.640 -6.417 0.308) 6.630 4.337 ( -0.247 -1.840 -3.073) 3.590 4.456 ( 1.742 4.383 4.069) 6.229 4.524 ( -4.710 5.032 -0.334) 6.901 4.571 ( -2.252 5.419 -1.696) 6.109 4.606 ( -5.068 -1.553 -1.412) 5.486 4.699 ( 2.666 2.317 -2.487) 4.320 4.889 ( 2.812 1.707 6.033) 6.872 4.959 ( 3.340 4.722 -1.096) 5.887 4.973 ( 3.734 2.441 -2.609) 5.168 5.036 ( 2.059 3.246 4.380) 5.827 5.123 ( -0.810 1.359 -6.184) 6.383 5.179 ( -3.430 -1.512 -6.378) 7.398 5.380 ( 4.318 2.257 -7.652) 9.072 5.422 ( 2.175 -0.653 -0.839) 2.421 5.457 ( 3.582 -1.462 0.081) 3.869 5.548 ( 3.839 4.140 -1.703) 5.898 5.654 ( -3.708 -1.172 -9.907) 10.643 5.744 ( 0.867 -0.584 4.255) 4.382 5.803 ( 1.465 0.114 1.891) 2.395 6.119 ( 1.863 -6.788 1.070) 7.120 6.294 ( 1.989 -2.259 -2.369) 3.830 6.517 ( -2.209 -0.790 6.607) 7.011 6.638 ( -4.323 0.677 2.563) 5.071 6.992 ( 1.053 -9.413 7.231) 11.916 7.071 ( -0.766 -5.066 -1.003) 5.221 7.248 ( -0.254 -1.887 2.001) 2.762 7.314 ( -3.242 0.496 -3.364) 4.699 7.453 ( -1.212 -0.437 0.305) 1.324 7.578 ( 1.777 3.851 -3.648) 5.595 7.805 ( 10.568 3.643 9.631) 14.755 7.870 ( 6.544 -0.432 -0.240) 6.562 8.596 ( 0.359 3.451 5.632) 6.615 8.975 ( -2.397 -3.764 13.230) 13.962 9.251 ( 4.697 4.295 -3.515) 7.270 9.481 ( 3.029 -1.024 1.086) 3.376 9.760 ( 3.821 -0.010 0.566) 3.862 9.859 ( -2.908 3.499 0.299) 4.560 9.876 ( 1.638 3.468 1.270) 4.040 10.031 ( 2.727 -1.871 -4.048) 5.227 10.287 ( 11.242 -3.553 0.200) 11.792 10.526 ( -1.587 -6.272 1.409) 6.622 10.559 ( 8.052 3.070 -4.254) 9.610 10.682 ( 6.592 0.231 -1.987) 6.889 11.428 ( -2.129 -0.012 -0.568) 2.204 11.539 ( -3.336 -1.298 -0.624) 3.634 11.719 ( -0.213 0.545 -1.218) 1.351 11.782 ( -0.685 -0.620 0.667) 1.139 12.235 ( 1.314 0.734 0.601) 1.621 12.329 ( 0.133 -2.736 -1.416) 3.084 12.509 ( 1.784 -1.017 -0.368) 2.086 12.547 ( 1.122 -2.533 0.548) 2.824 13.742 ( 0.540 1.531 0.100) 1.626 13.775 ( 0.717 1.949 0.469) 2.130 13.834 ( 0.088 -0.168 -0.755) 0.779 13.879 ( -2.208 -0.219 -0.662) 2.316 14.655 ( 0.385 -1.184 -0.501) 1.342 14.764 ( -0.994 1.402 -0.105) 1.722 14.836 ( -9.486 -3.413 0.356) 10.088 15.020 ( -0.654 -3.812 1.151) 4.035 15.066 ( -13.187 -7.860 -3.541) 15.755 15.211 ( -4.120 -2.878 2.819) 5.762 15.302 ( -5.144 3.217 -7.890) 9.953 15.346 ( -2.167 2.211 -0.540) 3.143 15.856 ( -5.208 -3.067 -2.554) 6.562 15.971 ( -3.477 -1.166 0.227) 3.675 16.012 ( -4.004 0.043 -0.451) 4.030 16.095 ( -4.056 -0.935 3.234) 5.271 16.755 ( -3.841 2.845 2.404) 5.350 16.893 ( 0.428 2.575 -0.107) 2.613 17.049 ( 2.216 3.470 -0.846) 4.203 17.155 ( 1.032 0.538 -2.212) 2.500 17.515 ( -1.944 -5.809 -0.578) 6.153 17.620 ( -3.044 -6.601 -2.864) 7.813 17.843 ( -2.560 5.371 0.018) 5.950 17.945 ( -6.027 3.102 -2.470) 7.215 20.865 ( 5.827 2.378 -0.481) 6.311 20.960 ( 6.791 1.465 0.423) 6.960 21.091 ( 2.505 0.165 -0.697) 2.606 21.216 ( 4.793 -1.783 -1.347) 5.288 27.037 ( -4.343 1.486 0.208) 4.595 27.323 ( -10.287 -9.881 -2.116) 14.420 27.367 ( -17.788 -7.992 -11.103) 22.440 27.627 ( -12.074 -6.265 -3.464) 14.037 29.434 ( -1.831 1.031 -0.511) 2.162 29.447 ( -1.566 0.914 0.021) 1.813 29.597 ( -3.953 0.210 1.243) 4.149 29.630 ( -6.437 -2.437 -1.723) 7.095 30.156 ( 1.195 2.669 -2.217) 3.669 30.212 ( 1.664 7.493 -9.398) 12.134 30.628 ( 0.866 2.095 0.331) 2.291 30.669 ( 1.129 0.999 -1.720) 2.287 31.245 ( -2.140 3.927 8.678) 9.763 31.399 ( -3.725 -1.855 2.017) 4.625 31.567 ( -2.854 -1.380 -3.425) 4.666 31.627 ( -0.203 -0.572 4.095) 4.140 31.794 ( -2.823 7.998 -0.518) 8.497 32.410 ( -1.036 -7.835 5.328) 9.532 32.588 ( 5.282 6.270 -0.486) 8.213 33.097 ( 18.821 4.319 15.757) 24.923 33.233 ( -4.072 4.153 0.146) 5.818 33.542 ( 0.568 -0.804 -3.240) 3.386 33.842 ( -1.195 -1.105 2.691) 3.145 34.115 ( -2.548 -5.830 -13.441) 14.871 34.745 ( -0.111 8.422 8.706) 12.114 35.570 ( -1.972 -16.959 13.994) 22.075 36.054 ( 7.454 1.012 -4.377) 8.703 36.261 ( 19.913 3.494 -3.466) 20.512 ======================= Grid point 63 (31/72) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 7.731 19.281 3.006) 20.989 1.320 ( -3.358 19.921 7.765) 21.643 1.672 ( 1.973 6.905 5.685) 9.159 1.907 ( 2.277 -1.829 -0.042) 2.921 2.117 ( 1.205 1.953 -7.838) 8.167 2.163 ( 4.066 8.455 5.707) 10.981 2.235 ( -4.334 -1.193 0.713) 4.552 2.315 ( 1.472 -1.008 2.085) 2.744 2.354 ( 1.215 -2.243 0.303) 2.569 2.399 ( 1.596 -6.041 3.537) 7.180 2.545 ( -0.626 -12.095 2.333) 12.334 2.826 ( -0.816 6.343 -4.644) 7.903 2.849 ( -0.958 11.306 6.512) 13.082 3.150 ( -1.149 1.111 -3.784) 4.108 3.152 ( 6.853 -16.436 -4.401) 18.344 3.214 ( -0.669 -8.053 -6.633) 10.455 3.335 ( -8.484 1.462 1.352) 8.715 3.546 ( 3.154 3.174 -0.746) 4.536 3.729 ( 0.626 -7.229 -6.567) 9.786 3.842 ( 1.684 -6.521 6.545) 9.391 3.856 ( -3.741 7.236 7.858) 11.318 4.048 ( -0.598 0.375 -0.168) 0.726 4.077 ( -1.324 -2.642 0.570) 3.010 4.181 ( -1.172 0.896 0.056) 1.476 4.228 ( 2.011 -2.776 0.418) 3.454 4.356 ( -5.504 -2.916 -1.429) 6.390 4.449 ( 4.025 14.387 6.088) 16.132 4.554 ( -0.873 1.298 -1.674) 2.291 4.626 ( -2.401 0.292 -1.865) 3.054 4.698 ( 3.223 5.087 3.814) 7.129 4.770 ( -0.629 -0.180 -4.005) 4.058 4.898 ( 2.915 0.950 0.498) 3.106 4.943 ( -3.080 -0.216 -4.267) 5.267 4.970 ( -6.360 0.698 -2.335) 6.811 5.072 ( 0.768 -0.458 -2.080) 2.264 5.183 ( 2.982 0.609 2.137) 3.719 5.248 ( -1.715 -2.280 -8.255) 8.734 5.307 ( 1.963 2.897 -2.790) 4.475 5.415 ( 1.533 0.291 2.220) 2.713 5.467 ( 2.196 0.550 -2.368) 3.276 5.580 ( 3.757 0.230 -0.164) 3.767 5.650 ( -7.136 2.596 10.042) 12.589 5.748 ( -2.091 -2.493 8.052) 8.685 5.861 ( 4.659 -5.663 4.477) 8.592 6.107 ( -0.020 1.118 1.588) 1.942 6.249 ( -0.692 -2.781 -1.720) 3.342 6.556 ( -0.249 2.749 1.685) 3.234 6.610 ( -0.666 -0.198 1.853) 1.979 6.958 ( 3.540 -3.693 2.499) 5.693 7.001 ( 2.402 -3.586 3.174) 5.358 7.188 ( -2.126 -1.791 0.526) 2.830 7.211 ( -2.202 -2.456 1.764) 3.741 7.498 ( -1.516 6.030 -2.505) 6.703 7.664 ( 0.938 5.302 -3.754) 6.564 7.850 ( -2.795 -7.770 0.253) 8.261 7.897 ( 1.389 -4.149 -2.219) 4.906 8.729 ( -0.498 5.030 3.377) 6.079 8.921 ( -3.833 -3.729 7.042) 8.843 9.347 ( -0.017 4.577 -4.451) 6.384 9.492 ( -0.420 -1.673 0.539) 1.808 9.777 ( 1.004 0.687 -3.840) 4.028 9.887 ( 1.804 1.480 -1.569) 2.812 9.922 ( 0.522 -0.911 -7.178) 7.254 10.011 ( 1.379 -0.122 -1.689) 2.184 10.323 ( 0.910 -5.177 1.961) 5.611 10.387 ( -1.269 -5.655 5.130) 7.740 10.671 ( 0.466 2.140 -7.697) 8.002 10.734 ( 0.258 -0.980 -3.633) 3.772 11.439 ( 1.879 0.427 0.604) 2.020 11.469 ( -0.105 -1.197 1.555) 1.965 11.691 ( -2.094 0.429 -2.367) 3.190 11.717 ( 0.818 -0.533 -1.765) 2.017 12.249 ( -1.305 0.304 -1.559) 2.056 12.300 ( 0.356 -2.000 -1.301) 2.412 12.500 ( -0.251 -1.405 0.515) 1.517 12.517 ( 0.825 -1.302 0.630) 1.666 13.781 ( 0.347 1.763 0.292) 1.820 13.809 ( -1.507 1.789 0.443) 2.381 13.832 ( 0.444 -0.067 -0.259) 0.519 13.857 ( -0.137 -0.677 -0.190) 0.716 14.647 ( -1.700 -0.258 -0.141) 1.726 14.673 ( 1.394 -0.725 -1.156) 1.950 14.793 ( -0.448 0.995 -0.256) 1.120 14.818 ( 1.161 1.080 -0.441) 1.646 14.984 ( 2.927 -2.438 2.094) 4.347 15.033 ( -2.373 -3.661 1.256) 4.540 15.319 ( 1.042 2.198 -2.403) 3.419 15.371 ( 2.194 -0.040 -1.511) 2.664 15.871 ( 3.230 2.049 0.732) 3.895 15.926 ( -1.007 0.515 1.542) 1.912 15.969 ( -0.882 -0.019 -0.104) 0.888 16.034 ( -0.956 -2.027 2.010) 3.010 16.800 ( -0.507 3.343 2.898) 4.453 16.909 ( -1.212 -0.657 1.259) 1.867 17.100 ( -0.300 1.534 -2.318) 2.796 17.134 ( 0.448 0.069 -2.318) 2.362 17.405 ( -0.008 -1.633 0.382) 1.677 17.465 ( 0.752 -3.907 -1.068) 4.120 17.922 ( -1.751 5.965 1.017) 6.299 17.998 ( -0.086 3.134 -0.751) 3.224 20.984 ( 0.092 2.726 0.135) 2.731 21.051 ( -0.852 1.450 -0.744) 1.839 21.120 ( -0.325 -0.020 -0.038) 0.327 21.216 ( 0.902 -2.954 -0.883) 3.212 26.997 ( 2.902 4.535 0.576) 5.415 27.091 ( -4.012 5.497 -1.593) 6.990 27.255 ( 5.676 -6.389 1.652) 8.704 27.374 ( -4.256 -6.503 -1.230) 7.869 29.438 ( 0.344 0.952 -0.236) 1.040 29.444 ( -0.100 0.713 -0.257) 0.764 29.567 ( -0.012 0.380 0.445) 0.586 29.574 ( -0.087 0.183 0.540) 0.577 30.213 ( 0.662 2.350 -1.375) 2.802 30.256 ( 0.683 1.049 -3.330) 3.558 30.675 ( -0.359 1.962 -1.704) 2.623 30.689 ( 0.274 0.572 -0.916) 1.115 31.330 ( -3.419 2.266 3.585) 5.447 31.359 ( -2.857 1.495 6.869) 7.589 31.550 ( 1.829 2.153 1.763) 3.330 31.662 ( 1.932 -1.653 5.234) 5.819 31.926 ( -0.972 7.794 3.184) 8.475 32.265 ( -1.764 -8.059 6.191) 10.314 32.825 ( 3.264 9.157 -2.664) 10.080 33.141 ( -1.149 -2.893 -2.026) 3.714 33.331 ( 0.014 2.793 0.011) 2.793 33.523 ( 2.110 -4.338 0.741) 4.881 33.772 ( -1.542 -2.030 -3.011) 3.946 33.896 ( 3.412 -7.463 -7.960) 11.432 34.991 ( -0.637 5.904 8.300) 10.206 35.301 ( -5.659 -10.148 9.783) 15.190 36.150 ( 1.398 3.485 -6.067) 7.135 36.356 ( 2.082 -5.379 -9.613) 11.211 ======================= Grid point 64 (32/72) ======================= q-point: ( 0.14 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 7.026 13.236 6.522) 16.343 1.602 ( 15.605 8.826 4.423) 18.466 1.846 ( 12.915 0.573 3.013) 13.274 1.966 ( 3.782 0.953 -0.235) 3.908 2.019 ( -0.060 2.857 -11.805) 12.146 2.247 ( 1.619 2.160 4.119) 4.925 2.318 ( 0.940 -2.913 2.696) 4.079 2.392 ( 11.483 7.884 6.057) 15.189 2.467 ( 6.381 -1.477 -4.049) 7.700 2.480 ( 9.387 -0.410 3.667) 10.087 2.738 ( 12.611 -11.009 5.866) 17.738 2.824 ( 4.766 4.225 -3.886) 7.462 2.942 ( 4.935 5.764 7.510) 10.676 3.106 ( -2.118 -2.981 0.144) 3.659 3.145 ( -1.166 -7.745 -6.135) 9.949 3.223 ( 3.786 4.486 -1.892) 6.167 3.311 ( 7.449 -10.474 -3.465) 13.311 3.623 ( 1.079 1.307 4.535) 4.841 3.629 ( -3.930 -0.126 -3.655) 5.368 3.770 ( -5.565 -3.140 -3.844) 7.457 3.859 ( -3.965 1.381 3.591) 5.525 3.997 ( -4.325 4.782 1.850) 6.708 4.103 ( -1.439 0.848 -1.404) 2.182 4.185 ( 1.480 -1.800 4.727) 5.270 4.258 ( 6.900 1.598 -3.682) 7.983 4.379 ( 5.045 -2.100 0.614) 5.499 4.462 ( -4.972 1.808 -0.568) 5.321 4.546 ( -4.086 3.097 -0.901) 5.206 4.566 ( 2.153 4.477 2.353) 5.497 4.691 ( -4.155 0.906 -2.647) 5.010 4.767 ( 5.043 -4.250 -2.385) 7.014 4.842 ( -5.232 4.154 -4.030) 7.802 4.913 ( -0.511 -0.814 5.890) 5.968 4.968 ( 1.564 0.153 3.225) 3.588 5.024 ( -0.319 -7.089 -9.954) 12.224 5.120 ( -3.553 -1.983 0.898) 4.168 5.240 ( -2.542 6.503 -4.737) 8.437 5.336 ( 3.742 4.013 -1.679) 5.737 5.434 ( -3.094 0.098 1.977) 3.673 5.512 ( 3.280 2.787 0.117) 4.306 5.575 ( -5.041 2.631 6.557) 8.679 5.649 ( 1.122 1.110 3.790) 4.105 5.739 ( -3.956 -0.625 4.045) 5.692 5.996 ( 4.881 -6.829 2.192) 8.676 6.113 ( -0.465 -2.307 3.848) 4.511 6.191 ( -3.264 -3.735 -1.876) 5.303 6.517 ( -5.426 3.965 1.883) 6.980 6.605 ( -2.152 0.220 2.238) 3.112 7.040 ( -1.567 0.000 3.506) 3.841 7.065 ( 5.104 -2.872 3.258) 6.702 7.125 ( -3.287 0.133 -2.401) 4.073 7.210 ( -0.431 -3.030 3.412) 4.583 7.475 ( 0.543 2.061 -1.274) 2.483 7.636 ( -0.591 5.473 -4.076) 6.849 7.722 ( -7.248 -7.417 -2.440) 10.653 7.868 ( -2.542 -3.972 -1.784) 5.041 8.718 ( -3.335 3.595 3.570) 6.066 8.872 ( -6.611 -4.030 5.689) 9.608 9.298 ( -1.204 4.322 -2.771) 5.274 9.464 ( -1.600 -2.186 -1.910) 3.315 9.776 ( 1.122 2.509 -2.100) 3.459 9.845 ( -1.553 -0.285 -6.174) 6.373 9.952 ( 4.939 1.753 -0.611) 5.277 10.006 ( -0.437 -0.077 -1.440) 1.507 10.315 ( -2.926 -3.802 3.621) 6.010 10.386 ( -2.583 -7.414 3.082) 8.434 10.540 ( -7.169 2.711 -5.738) 9.574 10.641 ( -5.855 -1.581 -3.251) 6.881 11.476 ( 1.725 0.442 0.598) 1.879 11.545 ( 4.434 -2.503 0.829) 5.159 11.666 ( 1.742 2.412 -2.519) 3.898 11.740 ( 2.874 -1.133 -1.344) 3.369 12.212 ( -1.346 -0.048 -0.093) 1.350 12.268 ( -1.836 -2.491 -1.194) 3.317 12.483 ( -1.901 -0.715 0.113) 2.034 12.521 ( -1.124 -1.670 0.561) 2.090 13.772 ( -1.553 1.955 0.003) 2.497 13.803 ( 0.254 2.100 0.440) 2.161 13.842 ( 0.832 -0.644 -0.321) 1.100 13.853 ( 0.207 -0.956 -0.191) 0.996 14.652 ( 2.021 0.349 -0.353) 2.081 14.703 ( 2.620 -1.606 0.964) 3.221 14.816 ( 3.883 1.914 -0.852) 4.412 14.924 ( 6.079 -3.068 -0.485) 6.826 15.062 ( 3.642 -0.224 -0.658) 3.707 15.081 ( 5.114 -1.826 0.582) 5.461 15.355 ( 4.291 2.009 -2.342) 5.285 15.438 ( 5.327 -2.085 -2.856) 6.394 15.935 ( 2.246 0.163 1.319) 2.609 15.964 ( 0.316 -0.745 1.600) 1.793 15.975 ( 5.531 1.178 -0.215) 5.659 16.088 ( 3.890 -2.761 2.034) 5.186 16.843 ( 2.482 2.744 1.873) 4.147 16.927 ( 2.178 0.483 1.615) 2.754 17.087 ( 0.421 2.747 -0.444) 2.815 17.127 ( 1.308 0.779 -3.059) 3.417 17.425 ( 1.440 -1.916 -0.200) 2.406 17.487 ( 2.152 -3.986 -1.366) 4.732 17.901 ( -0.671 6.302 0.346) 6.347 17.998 ( 0.865 2.643 -0.545) 2.834 20.927 ( -5.853 1.677 0.219) 6.092 20.955 ( -8.176 1.415 1.000) 8.357 21.083 ( -2.673 1.162 -0.860) 3.039 21.183 ( -3.466 -2.730 -0.954) 4.514 27.044 ( 0.545 3.300 -1.849) 3.822 27.124 ( 5.178 -0.446 0.043) 5.197 27.351 ( 5.771 -2.487 -3.857) 7.373 27.470 ( 13.986 -7.739 2.628) 16.199 29.455 ( 1.546 1.111 -0.375) 1.940 29.467 ( 2.548 0.811 -0.203) 2.682 29.591 ( 2.291 0.652 0.385) 2.413 29.626 ( 4.603 -1.002 0.608) 4.750 30.214 ( 0.623 2.864 -1.737) 3.407 30.247 ( 0.713 2.381 -2.282) 3.374 30.638 ( -2.025 2.116 -1.428) 3.259 30.681 ( -0.618 -0.207 -0.661) 0.929 31.297 ( -2.314 2.853 2.470) 4.427 31.368 ( -2.375 0.900 8.084) 8.474 31.621 ( 4.343 4.393 0.837) 6.234 31.746 ( 3.333 -0.859 2.826) 4.453 31.952 ( -0.203 6.837 5.353) 8.685 32.269 ( -2.714 -6.243 4.629) 8.232 32.841 ( -0.478 4.719 -1.257) 4.907 33.081 ( -1.505 -1.666 -4.186) 4.750 33.348 ( 2.420 3.351 -1.089) 4.275 33.576 ( 2.143 -4.250 1.432) 4.970 33.716 ( -0.374 0.826 -4.026) 4.127 33.957 ( 7.492 -9.244 -5.684) 13.187 35.009 ( -4.944 2.055 10.244) 11.559 35.237 ( -7.880 -8.221 8.016) 13.926 36.034 ( -7.676 4.579 -7.589) 11.726 36.233 ( -5.957 -4.064 -6.268) 9.554 ======================= Grid point 65 (33/72) ======================= q-point: ( 0.29 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 6.217 3.711 2.158) 7.555 1.711 ( -0.946 -2.158 -6.914) 7.304 1.963 ( 3.686 3.128 -5.235) 7.126 2.049 ( 4.883 -0.074 0.526) 4.912 2.177 ( 11.912 3.766 1.767) 12.618 2.277 ( 2.573 -0.244 -4.806) 5.457 2.402 ( 2.478 2.384 5.528) 6.510 2.570 ( 4.275 4.452 4.950) 7.912 2.616 ( 7.190 -0.060 7.797) 10.606 2.781 ( 14.133 5.329 -4.511) 15.764 2.866 ( -2.155 -2.078 1.447) 3.325 2.940 ( 10.579 6.763 -4.770) 13.432 3.025 ( 2.592 -3.310 -1.593) 4.496 3.113 ( 3.838 -1.774 5.219) 6.717 3.307 ( 14.258 -4.178 2.469) 15.061 3.335 ( 5.585 -9.661 -4.328) 11.970 3.372 ( 6.166 1.508 -1.354) 6.490 3.583 ( -2.022 -0.145 -0.583) 2.109 3.608 ( -4.110 2.854 0.747) 5.059 3.737 ( 6.371 -1.420 2.364) 6.942 3.814 ( -2.742 -0.640 4.140) 5.007 3.961 ( 0.712 4.140 -0.086) 4.202 4.041 ( 0.730 1.082 -4.733) 4.910 4.228 ( -2.450 -0.413 1.389) 2.846 4.347 ( 1.190 2.482 1.703) 3.237 4.407 ( 3.245 3.614 -1.687) 5.142 4.434 ( -2.515 -0.089 -1.916) 3.163 4.537 ( 4.685 1.223 1.536) 5.080 4.618 ( 1.529 4.485 0.077) 4.739 4.660 ( -1.581 -1.808 4.038) 4.698 4.705 ( -1.741 -1.385 -6.374) 6.751 4.788 ( -2.286 -6.004 -2.174) 6.782 4.916 ( -2.887 -1.634 1.134) 3.506 4.949 ( 0.960 -3.235 -6.458) 7.287 5.012 ( 1.073 -0.863 -0.044) 1.378 5.098 ( 0.426 -0.709 2.565) 2.695 5.193 ( 0.750 4.330 -0.555) 4.429 5.299 ( -4.274 0.060 -1.757) 4.621 5.353 ( -5.881 0.101 4.382) 7.335 5.520 ( -5.617 -5.739 3.270) 8.670 5.584 ( -0.234 4.583 2.151) 5.068 5.654 ( -5.654 1.728 -0.312) 5.920 5.724 ( 3.408 6.594 4.675) 8.772 6.016 ( -3.946 -1.773 3.606) 5.632 6.094 ( -5.955 -3.833 0.352) 7.091 6.180 ( 3.297 -3.746 -0.859) 5.064 6.402 ( -7.310 1.925 3.972) 8.539 6.558 ( -3.944 -2.372 2.068) 5.045 6.995 ( -1.331 2.693 -6.541) 7.198 7.088 ( -1.115 2.705 5.941) 6.623 7.131 ( -0.825 -2.788 -0.433) 2.939 7.265 ( 3.853 -1.871 4.218) 6.011 7.462 ( -0.413 4.158 -1.930) 4.602 7.584 ( -4.505 2.810 -0.298) 5.318 7.638 ( 1.971 -4.823 -2.771) 5.901 7.790 ( -3.246 -3.541 -2.854) 5.588 8.678 ( -3.727 1.127 4.814) 6.192 8.774 ( -6.596 -3.671 3.233) 8.213 9.273 ( 0.308 3.707 -1.509) 4.014 9.413 ( -1.685 -1.742 -3.205) 4.018 9.718 ( -3.092 4.570 -3.401) 6.482 9.845 ( 2.682 -1.807 -1.569) 3.595 9.969 ( -2.257 0.977 -1.511) 2.887 10.035 ( 2.980 -0.402 -0.244) 3.017 10.280 ( -3.425 -3.690 3.404) 6.077 10.351 ( -2.790 -2.605 -1.973) 4.297 10.375 ( -3.966 0.788 -1.764) 4.411 10.521 ( -4.026 -2.308 -0.477) 4.665 11.506 ( 1.745 0.024 -1.287) 2.169 11.594 ( 0.864 -3.620 -0.919) 3.834 11.707 ( 3.036 2.878 -0.557) 4.220 11.801 ( 3.410 -0.921 0.122) 3.534 12.210 ( 0.995 -1.219 0.851) 1.789 12.236 ( -0.531 -2.146 -0.374) 2.242 12.432 ( -3.275 -0.139 -0.113) 3.280 12.486 ( -2.553 -1.837 0.210) 3.152 13.739 ( -1.780 1.850 0.499) 2.616 13.803 ( -0.673 1.418 0.345) 1.607 13.848 ( 1.016 -1.864 -1.453) 2.572 13.873 ( 1.306 -0.813 -0.009) 1.538 14.704 ( 2.615 0.734 0.516) 2.764 14.751 ( 0.698 -0.599 0.944) 1.318 14.918 ( 7.149 0.409 -0.070) 7.162 15.033 ( 6.291 -4.565 -0.773) 7.811 15.114 ( 2.252 1.779 -0.693) 2.952 15.177 ( 4.038 -1.050 1.043) 4.300 15.417 ( 3.881 1.908 -2.995) 5.260 15.487 ( 2.470 -1.544 -3.827) 4.809 15.989 ( 2.919 1.784 -1.284) 3.654 16.014 ( 2.695 -0.754 3.243) 4.284 16.076 ( 4.287 -1.897 -0.014) 4.688 16.163 ( 1.690 -3.902 1.893) 4.655 16.903 ( 2.846 3.591 -0.266) 4.590 16.994 ( 2.435 1.294 1.904) 3.351 17.108 ( 1.187 3.358 0.643) 3.619 17.135 ( 1.299 2.486 -2.203) 3.566 17.443 ( 0.832 -2.143 -0.495) 2.352 17.519 ( 2.027 -4.260 -0.826) 4.789 17.921 ( 3.069 6.400 -0.288) 7.104 18.037 ( 3.630 2.027 0.111) 4.159 20.789 ( -8.070 0.141 0.377) 8.080 20.802 ( -8.314 -0.224 1.594) 8.468 21.023 ( -2.493 1.207 -0.890) 2.909 21.091 ( -4.370 -1.623 -1.552) 4.913 27.078 ( 3.369 0.932 0.541) 3.537 27.158 ( 0.613 -3.038 -0.467) 3.134 27.499 ( 9.894 1.734 -3.426) 10.613 27.748 ( 12.360 -10.562 0.314) 16.262 29.488 ( 1.908 1.414 -0.159) 2.380 29.520 ( 2.823 0.473 -0.391) 2.889 29.652 ( 3.296 0.795 0.587) 3.441 29.737 ( 5.987 -2.785 0.349) 6.612 30.211 ( 0.568 4.684 -1.891) 5.083 30.246 ( 0.605 2.988 -1.442) 3.372 30.586 ( -2.201 1.905 -0.657) 2.984 30.659 ( -0.913 -1.116 -0.679) 1.594 31.284 ( -1.259 3.986 2.882) 5.077 31.390 ( -2.234 0.270 8.661) 8.948 31.717 ( 5.037 5.446 0.107) 7.419 31.817 ( 2.254 0.581 0.268) 2.343 31.986 ( -0.054 4.947 3.792) 6.233 32.224 ( -4.199 -3.631 1.140) 5.667 32.785 ( -3.153 2.953 -2.846) 5.173 33.035 ( -1.189 -5.508 -1.974) 5.970 33.402 ( 4.087 5.980 -1.864) 7.479 33.616 ( 1.973 0.137 -2.030) 2.834 33.725 ( 2.817 1.861 0.825) 3.476 34.057 ( 6.496 -8.255 -4.589) 11.463 34.973 ( -7.133 -1.332 11.236) 13.376 35.148 ( -7.029 -7.482 7.076) 12.469 35.807 ( -8.089 6.060 -7.852) 12.798 36.071 ( -6.288 -6.081 -4.703) 9.931 ======================= Grid point 66 (34/72) ======================= q-point: ( 0.43 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( -3.973 -0.356 -9.369) 10.183 1.663 ( 3.004 -3.175 -3.308) 5.482 1.988 ( 2.369 -0.692 -8.717) 9.060 2.092 ( 1.107 -1.943 -3.473) 4.130 2.289 ( 0.113 5.791 -0.041) 5.792 2.327 ( 5.141 4.267 -1.845) 6.932 2.462 ( -2.222 -2.818 4.267) 5.575 2.555 ( -6.345 8.431 3.858) 11.234 2.693 ( -1.559 2.314 -4.552) 5.339 2.872 ( 3.706 6.573 3.666) 8.389 2.917 ( 2.405 1.322 0.675) 2.826 3.101 ( 4.361 2.921 2.461) 5.798 3.169 ( 8.671 0.369 1.103) 8.748 3.239 ( 3.983 -5.114 0.289) 6.489 3.323 ( 5.750 0.169 -1.494) 5.943 3.466 ( 0.232 0.522 -2.194) 2.268 3.512 ( -2.989 0.422 2.306) 3.799 3.565 ( -0.809 -4.558 6.129) 7.680 3.596 ( 8.400 -1.559 0.645) 8.568 3.835 ( -0.054 3.778 3.123) 4.902 3.943 ( 5.170 2.139 5.754) 8.025 4.014 ( 3.993 1.466 -1.610) 4.548 4.028 ( 0.977 -3.819 -3.205) 5.081 4.179 ( -1.250 -1.089 -0.588) 1.759 4.354 ( 1.365 -3.314 -0.799) 3.672 4.421 ( -0.106 0.094 0.476) 0.497 4.446 ( 1.624 -3.218 -0.919) 3.720 4.511 ( -3.845 0.989 -5.012) 6.394 4.576 ( -1.532 2.682 -4.267) 5.268 4.644 ( -1.013 5.224 1.705) 5.588 4.729 ( 4.119 1.545 0.091) 4.400 4.826 ( 1.781 -3.256 -0.268) 3.720 4.876 ( 2.660 -4.118 -2.440) 5.477 4.950 ( -0.151 -0.298 2.580) 2.602 5.004 ( 0.202 1.184 -2.501) 2.774 5.127 ( 1.090 1.986 -2.041) 3.049 5.195 ( -0.413 -4.405 1.190) 4.581 5.232 ( -3.068 -2.156 -1.002) 3.881 5.324 ( -2.621 -3.042 6.129) 7.327 5.403 ( -4.460 -1.887 2.353) 5.385 5.521 ( -6.921 1.917 2.234) 7.521 5.602 ( 1.059 0.707 -0.720) 1.462 5.768 ( -4.153 4.134 5.795) 8.241 5.905 ( -7.723 -0.385 0.903) 7.785 6.028 ( -0.928 4.161 1.137) 4.412 6.195 ( 0.353 1.228 -1.734) 2.154 6.354 ( -2.888 -4.652 6.397) 8.420 6.523 ( -0.400 -6.558 1.071) 6.657 6.941 ( 0.168 4.409 -4.221) 6.107 7.090 ( -0.862 -0.217 -1.169) 1.469 7.150 ( 1.932 0.496 4.937) 5.324 7.340 ( 0.951 -4.049 1.007) 4.280 7.418 ( -3.324 6.116 -4.998) 8.569 7.538 ( 1.238 4.510 2.994) 5.553 7.663 ( -0.277 -0.161 0.193) 0.374 7.723 ( 0.546 -6.175 -5.618) 8.366 8.652 ( -4.110 -0.788 6.298) 7.562 8.710 ( -1.312 -3.305 2.975) 4.636 9.284 ( 2.159 3.331 -1.801) 4.359 9.355 ( -1.011 0.063 -4.545) 4.656 9.655 ( -1.474 4.673 -1.506) 5.126 9.874 ( 1.929 -3.471 -2.114) 4.499 9.912 ( -1.710 1.033 -1.861) 2.730 10.030 ( -1.671 -0.981 -2.622) 3.260 10.238 ( -3.042 -2.206 1.335) 3.988 10.308 ( 1.101 3.910 0.034) 4.062 10.356 ( 0.377 -3.971 0.236) 3.996 10.495 ( 0.251 -2.104 1.654) 2.689 11.523 ( 1.265 -0.886 -2.017) 2.541 11.583 ( -0.305 -3.612 -2.150) 4.215 11.752 ( 1.250 3.137 0.990) 3.519 11.846 ( 1.078 -0.444 0.209) 1.184 12.239 ( 0.534 -1.762 0.250) 1.859 12.255 ( 2.132 -2.089 1.192) 3.214 12.372 ( -2.280 0.193 0.207) 2.297 12.440 ( -1.893 -1.982 -0.181) 2.747 13.720 ( -0.727 1.508 0.865) 1.884 13.790 ( -0.739 0.124 0.232) 0.785 13.859 ( 1.140 -1.415 -1.524) 2.372 13.888 ( 0.562 -1.245 -0.634) 1.506 14.740 ( 0.286 -0.233 0.306) 0.480 14.745 ( -0.771 -0.509 -0.068) 0.927 15.057 ( 6.055 0.754 0.843) 6.159 15.117 ( -0.232 0.640 -0.000) 0.681 15.155 ( 4.209 -0.903 0.533) 4.338 15.233 ( 0.308 -2.265 2.141) 3.132 15.450 ( 2.109 1.508 -3.148) 4.078 15.490 ( 1.536 -0.950 -3.600) 4.028 16.032 ( 2.125 2.384 -0.427) 3.222 16.060 ( -0.593 -0.383 1.919) 2.045 16.136 ( 1.919 -3.595 0.041) 4.076 16.178 ( -0.983 -4.019 1.049) 4.269 16.941 ( 1.574 4.402 -0.776) 4.739 17.024 ( -0.426 2.126 0.748) 2.294 17.115 ( -0.708 3.094 -0.380) 3.196 17.138 ( 0.589 2.315 -1.761) 2.968 17.463 ( 1.269 -1.347 1.128) 2.167 17.546 ( 0.881 -3.855 0.098) 3.955 18.002 ( 4.390 6.536 0.814) 7.916 18.111 ( 2.528 2.325 0.568) 3.481 20.666 ( -4.022 -1.162 -0.016) 4.187 20.685 ( -4.396 -1.937 0.730) 4.860 20.987 ( -0.471 0.524 -0.538) 0.887 21.022 ( -1.160 -0.786 -1.339) 1.939 27.148 ( 0.883 -0.264 2.684) 2.838 27.188 ( 2.868 -3.229 2.642) 5.062 27.618 ( 4.723 2.623 -2.956) 6.158 27.909 ( 4.723 -12.418 -1.759) 13.402 29.517 ( 1.022 1.552 0.248) 1.875 29.558 ( 1.340 0.380 -0.336) 1.432 29.706 ( 1.388 0.590 0.803) 1.708 29.824 ( 2.342 -4.439 -0.649) 5.061 30.212 ( 1.176 5.991 -1.334) 6.249 30.244 ( 0.243 2.958 -1.417) 3.289 30.558 ( -0.376 1.712 0.293) 1.777 30.643 ( -0.095 -1.548 -0.641) 1.678 31.291 ( -0.920 4.977 4.131) 6.533 31.415 ( -2.501 -0.011 9.302) 9.633 31.778 ( -0.334 2.458 -3.185) 4.037 31.820 ( 0.261 3.619 -1.358) 3.874 32.006 ( -0.681 4.236 1.511) 4.548 32.166 ( -1.385 -2.920 2.072) 3.839 32.709 ( -0.989 4.837 -5.074) 7.079 32.987 ( -1.704 -6.556 -3.802) 7.767 33.467 ( 3.738 7.125 -1.064) 8.116 33.618 ( -0.082 3.228 -2.223) 3.920 33.801 ( 2.169 1.057 3.457) 4.216 34.119 ( 3.578 -6.050 -4.359) 8.271 34.921 ( -6.723 -1.956 9.194) 11.556 35.104 ( -3.847 -8.875 9.444) 13.518 35.653 ( -0.777 5.655 -7.869) 9.721 35.943 ( -2.262 -7.285 -5.906) 9.647 ======================= Grid point 67 (35/72) ======================= q-point: (-0.43 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( -5.285 3.604 -8.170) 10.376 1.698 ( 1.606 -2.775 -2.129) 3.848 1.930 ( 0.841 -3.234 -9.520) 10.089 2.062 ( 0.225 -2.876 -6.889) 7.468 2.199 ( -5.867 8.830 -1.915) 10.773 2.387 ( -5.676 7.763 -0.976) 9.667 2.419 ( 2.176 1.868 -0.218) 2.876 2.449 ( -5.540 -1.070 1.997) 5.985 2.656 ( -3.627 6.077 3.542) 7.914 2.863 ( -2.520 0.967 -1.586) 3.131 2.967 ( -0.532 4.320 0.920) 4.449 3.050 ( -8.472 -7.580 0.976) 11.410 3.194 ( -4.448 8.817 1.996) 10.075 3.310 ( 1.331 -0.170 -9.291) 9.387 3.403 ( -4.303 1.215 1.286) 4.652 3.496 ( 0.955 5.402 10.219) 11.598 3.558 ( 1.085 -4.287 6.781) 8.096 3.573 ( 5.160 -5.702 -4.469) 8.895 3.716 ( -2.817 -4.345 5.844) 7.808 3.753 ( -6.998 -1.289 4.838) 8.605 3.852 ( -7.801 4.466 -1.114) 9.058 3.991 ( -3.020 1.364 -2.313) 4.042 4.080 ( -2.152 3.444 2.920) 5.002 4.204 ( 3.245 -2.369 0.131) 4.020 4.361 ( -5.207 1.577 -4.752) 7.224 4.411 ( 4.690 -4.432 -3.837) 7.507 4.473 ( 3.360 -2.776 3.494) 5.586 4.516 ( 1.402 -0.962 1.036) 1.991 4.568 ( 3.239 3.042 -3.728) 5.800 4.659 ( 4.781 3.573 1.958) 6.282 4.759 ( 2.462 -4.783 -5.249) 7.516 4.827 ( -5.502 -1.186 -3.925) 6.862 4.877 ( 1.525 -1.632 1.275) 2.572 4.900 ( -3.127 0.102 -0.187) 3.135 4.969 ( -3.215 -2.475 -1.000) 4.179 5.140 ( -0.900 -3.117 1.765) 3.693 5.224 ( 0.675 1.039 3.941) 4.131 5.253 ( 6.290 1.526 2.531) 6.950 5.344 ( 1.887 1.858 2.141) 3.405 5.402 ( 0.687 -3.955 0.151) 4.017 5.486 ( 4.898 4.353 -1.383) 6.697 5.645 ( 1.429 -1.598 2.675) 3.428 5.718 ( -2.301 4.318 2.874) 5.674 5.810 ( -4.240 -1.051 0.045) 4.369 5.998 ( -2.433 4.482 0.117) 5.101 6.193 ( 0.328 -0.575 -1.204) 1.374 6.372 ( -0.021 -4.276 6.148) 7.489 6.555 ( 1.703 -8.675 2.574) 9.208 6.911 ( -1.650 4.214 -1.263) 4.698 7.092 ( 1.859 -2.308 -2.801) 4.078 7.192 ( -2.460 0.152 0.472) 2.509 7.282 ( -2.175 -2.910 2.085) 4.189 7.416 ( 4.364 3.701 -1.341) 5.877 7.602 ( 1.906 3.402 2.065) 4.412 7.644 ( 0.706 1.438 -0.760) 1.773 7.714 ( 1.969 -3.894 -5.307) 6.871 8.634 ( -1.991 1.301 5.346) 5.851 8.764 ( 2.851 -4.180 4.729) 6.926 9.308 ( 0.141 3.225 -2.684) 4.199 9.331 ( 4.142 1.465 -3.788) 5.801 9.639 ( 1.081 4.224 -1.230) 4.530 9.885 ( 0.360 2.404 -1.300) 2.757 9.901 ( 3.122 -6.100 -3.488) 7.689 9.985 ( 0.071 -0.824 -3.646) 3.739 10.186 ( -3.171 1.052 0.916) 3.464 10.347 ( 0.668 -3.879 2.898) 4.887 10.396 ( 4.187 2.312 -0.195) 4.787 10.531 ( 1.917 -1.088 1.366) 2.593 11.514 ( -0.671 -0.883 -2.030) 2.313 11.564 ( 0.411 -3.268 -2.784) 4.313 11.767 ( -0.509 2.655 1.402) 3.045 11.849 ( -0.795 -0.040 0.066) 0.799 12.241 ( -1.158 -0.926 0.853) 1.711 12.271 ( -0.684 -1.217 0.785) 1.602 12.387 ( 2.869 -1.411 0.890) 3.319 12.425 ( 0.869 -1.863 -0.775) 2.197 13.725 ( 0.552 1.567 1.020) 1.950 13.784 ( 0.021 -0.192 0.093) 0.214 13.858 ( -0.124 -0.759 -1.554) 1.733 13.890 ( 0.306 -1.829 -0.674) 1.973 14.710 ( -1.940 -0.115 -0.020) 1.944 14.749 ( -0.074 -1.606 0.169) 1.617 15.064 ( -4.884 0.769 0.653) 4.987 15.109 ( -1.994 -0.276 -0.991) 2.243 15.212 ( 0.505 0.091 2.293) 2.349 15.243 ( -0.815 -1.641 2.618) 3.196 15.454 ( 1.159 1.544 -3.396) 3.906 15.496 ( 1.475 -0.633 -3.647) 3.985 16.017 ( -4.329 -0.554 0.595) 4.404 16.057 ( -0.534 1.163 0.791) 1.504 16.115 ( -3.214 -4.003 -0.255) 5.140 16.170 ( -1.046 -2.849 0.914) 3.170 16.951 ( -0.322 4.557 -0.227) 4.574 17.007 ( -1.122 3.160 -0.401) 3.377 17.086 ( -1.368 2.395 -0.668) 2.838 17.133 ( 0.600 0.793 -1.541) 1.834 17.494 ( -0.090 -1.163 1.713) 2.072 17.554 ( 0.275 -3.229 0.130) 3.244 18.059 ( -0.907 4.810 2.375) 5.441 18.112 ( -2.046 3.105 0.096) 3.719 20.653 ( 2.369 -1.380 -0.081) 2.743 20.673 ( 3.564 -1.838 0.212) 4.016 21.000 ( 2.062 0.015 -0.380) 2.097 21.028 ( 2.514 -1.044 -1.129) 2.947 27.161 ( -1.446 0.964 3.269) 3.702 27.267 ( 1.128 -4.986 4.527) 6.828 27.627 ( -1.717 1.496 -1.770) 2.884 27.891 ( -4.307 -13.663 -4.159) 14.918 29.525 ( -0.599 1.665 0.527) 1.846 29.559 ( -1.008 0.860 -0.401) 1.384 29.708 ( -1.851 -0.066 1.068) 2.138 29.801 ( -3.375 -3.983 -1.444) 5.416 30.233 ( -0.107 2.885 -1.737) 3.369 30.237 ( 2.196 3.505 -1.153) 4.294 30.578 ( 1.857 1.690 0.629) 2.588 30.650 ( 1.251 -1.139 -0.471) 1.756 31.309 ( -1.326 5.703 6.007) 8.389 31.435 ( -3.295 -0.077 9.809) 10.348 31.677 ( -3.962 0.740 -5.921) 7.163 31.767 ( -4.234 -0.588 -5.029) 6.600 32.004 ( -1.134 6.803 3.820) 7.884 32.208 ( 0.413 -3.336 6.950) 7.720 32.685 ( 3.683 7.718 -7.271) 11.224 32.930 ( 1.769 -1.811 -8.420) 8.792 33.504 ( -0.873 8.061 1.032) 8.174 33.581 ( -1.702 1.598 -1.258) 2.652 33.837 ( -0.994 0.187 3.178) 3.335 34.124 ( 0.616 -6.894 -4.928) 8.497 34.865 ( -5.445 1.583 7.437) 9.352 35.147 ( -0.634 -10.344 11.327) 15.353 35.678 ( 9.420 4.286 -6.737) 12.349 35.915 ( 4.975 -6.074 -7.273) 10.703 ======================= Grid point 68 (36/72) ======================= q-point: (-0.29 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( -4.884 11.759 -3.422) 13.185 1.662 ( -3.602 7.356 -0.225) 8.194 1.909 ( 1.912 -5.532 -6.720) 8.912 1.993 ( -0.622 2.089 -7.527) 7.836 2.126 ( -3.725 2.358 3.259) 5.482 2.207 ( -11.368 5.760 -4.810) 13.622 2.319 ( -7.822 5.045 1.963) 9.512 2.451 ( 0.009 -3.935 1.635) 4.261 2.554 ( -11.036 6.624 4.302) 13.571 2.778 ( -8.538 -9.017 0.100) 12.419 2.828 ( -12.350 -3.432 1.654) 12.924 2.890 ( -7.043 10.918 4.512) 13.754 3.087 ( -10.674 3.785 -6.158) 12.891 3.166 ( -4.041 -6.855 -12.226) 14.587 3.277 ( -4.139 2.795 2.403) 5.542 3.464 ( -7.217 4.286 14.141) 16.445 3.496 ( -4.470 -7.701 -10.666) 13.894 3.617 ( -2.096 -0.377 2.440) 3.238 3.674 ( -0.723 0.849 0.547) 1.242 3.802 ( -3.939 -5.159 11.941) 13.591 3.822 ( 4.593 6.140 0.042) 7.668 3.957 ( 1.274 -1.989 1.051) 2.585 4.080 ( 1.834 -0.477 2.683) 3.284 4.170 ( -3.888 -1.698 -4.029) 5.851 4.220 ( -4.218 5.140 -5.508) 8.634 4.441 ( -4.926 0.623 1.460) 5.176 4.510 ( -0.406 3.284 -0.520) 3.350 4.534 ( 5.853 -2.303 0.293) 6.297 4.662 ( 6.910 0.892 -2.477) 7.395 4.667 ( -4.527 -5.941 -4.584) 8.763 4.741 ( -0.755 -1.840 6.562) 6.857 4.836 ( -1.821 4.272 -2.672) 5.357 4.879 ( 7.552 -0.179 1.718) 7.747 4.934 ( 1.239 3.647 3.996) 5.550 4.992 ( 8.502 -7.804 -3.811) 12.154 5.173 ( -1.335 3.955 2.012) 4.634 5.206 ( 1.847 -0.876 -0.674) 2.152 5.376 ( 0.514 2.649 0.561) 2.756 5.399 ( 2.536 2.361 4.273) 5.502 5.420 ( 2.695 -1.436 -5.877) 6.623 5.578 ( -0.271 3.191 1.272) 3.446 5.665 ( -1.295 -1.966 6.958) 7.345 5.721 ( -2.374 -0.120 6.697) 7.107 5.744 ( 1.236 -0.251 -5.926) 6.058 6.009 ( 5.001 0.998 -3.389) 6.123 6.179 ( -0.675 -5.641 1.134) 5.793 6.443 ( 2.732 -0.988 3.970) 4.920 6.603 ( 0.490 -6.507 3.159) 7.250 6.869 ( -1.253 1.552 -0.550) 2.069 7.031 ( -3.342 -4.228 -4.449) 6.988 7.189 ( 1.197 -0.760 1.773) 2.270 7.281 ( -2.198 -5.141 2.696) 6.207 7.514 ( 4.869 4.723 1.098) 6.872 7.627 ( 1.384 2.546 -1.471) 3.249 7.699 ( 3.425 3.139 1.766) 4.970 7.741 ( 5.882 -2.453 -4.200) 7.633 8.655 ( 0.209 4.676 3.829) 6.047 8.861 ( 2.428 -3.984 5.399) 7.136 9.303 ( 2.457 4.120 -3.788) 6.112 9.400 ( 4.294 0.648 -0.514) 4.373 9.683 ( 4.753 2.800 -2.032) 5.879 9.894 ( 1.635 1.204 -1.436) 2.487 9.938 ( 3.506 -4.614 -4.221) 7.169 9.961 ( -0.763 -0.577 -2.745) 2.907 10.162 ( 0.908 2.991 1.159) 3.334 10.372 ( -0.155 -7.243 2.624) 7.705 10.504 ( 6.882 3.842 -0.267) 7.886 10.590 ( 4.178 -0.336 -0.524) 4.224 11.475 ( -1.609 0.062 -1.696) 2.339 11.545 ( -0.499 -2.876 -2.623) 3.924 11.757 ( -1.375 1.604 0.727) 2.234 11.819 ( -2.423 -0.289 0.244) 2.453 12.227 ( -0.418 0.300 0.950) 1.081 12.271 ( 0.366 -1.634 0.393) 1.720 12.451 ( 2.640 -1.711 0.098) 3.147 12.453 ( 2.360 -1.787 -0.410) 2.988 13.755 ( 1.576 1.806 0.839) 2.539 13.787 ( 0.197 0.352 0.146) 0.429 13.839 ( -0.357 -0.139 -1.474) 1.523 13.888 ( -0.293 -1.801 -0.175) 1.833 14.673 ( -2.085 0.481 0.296) 2.160 14.746 ( -0.607 -2.370 0.860) 2.594 14.960 ( -6.821 -0.774 1.143) 6.960 15.000 ( -6.158 -2.413 -1.686) 6.826 15.197 ( -5.815 -0.456 0.691) 5.874 15.222 ( -2.281 0.066 2.361) 3.284 15.432 ( -1.149 1.515 -3.203) 3.725 15.464 ( -1.639 0.157 -5.504) 5.745 15.919 ( -5.529 -1.125 -0.259) 5.648 15.990 ( -5.270 -3.227 0.640) 6.212 16.078 ( -1.708 0.385 0.450) 1.808 16.135 ( -3.643 -1.744 1.689) 4.377 16.914 ( -3.942 4.543 0.677) 6.053 16.973 ( -1.910 3.318 -0.461) 3.856 17.076 ( 0.444 2.176 0.583) 2.296 17.141 ( 1.267 -0.672 -1.481) 2.062 17.472 ( -2.307 -1.908 -0.039) 2.994 17.553 ( -1.279 -4.453 -0.108) 4.634 18.004 ( -4.079 4.437 0.764) 6.076 18.067 ( -3.482 1.395 0.884) 3.854 20.755 ( 8.001 0.748 0.238) 8.040 20.802 ( 8.422 -0.777 1.100) 8.529 21.049 ( 3.253 0.083 -0.855) 3.365 21.090 ( 4.697 -1.767 -1.394) 5.208 27.141 ( -3.132 2.000 2.355) 4.400 27.272 ( -3.351 -5.633 1.710) 6.774 27.532 ( -7.755 -1.781 -0.850) 8.002 27.689 ( -11.927 -11.630 -4.788) 17.333 29.503 ( -2.042 1.467 0.225) 2.525 29.516 ( -2.753 1.252 -0.527) 3.070 29.661 ( -3.731 -0.387 1.259) 3.957 29.701 ( -5.446 -2.546 -1.017) 6.097 30.218 ( 0.110 2.778 -1.730) 3.275 30.264 ( 1.716 0.666 -2.163) 2.840 30.624 ( 2.510 1.602 0.023) 2.978 30.676 ( 1.799 -0.257 -0.953) 2.052 31.331 ( -2.140 5.849 7.936) 10.088 31.430 ( -4.478 0.157 7.176) 8.460 31.584 ( -2.355 -0.935 -1.414) 2.902 31.637 ( -4.311 -2.125 -3.747) 6.094 31.992 ( -2.979 6.610 2.599) 7.702 32.250 ( -2.225 -5.333 7.757) 9.672 32.722 ( 5.600 9.700 -7.458) 13.456 32.966 ( 8.083 2.097 -5.856) 10.199 33.443 ( -4.864 7.569 0.332) 9.003 33.547 ( -1.663 -0.686 -0.697) 1.929 33.825 ( -2.159 -0.686 2.268) 3.205 34.064 ( -2.221 -9.113 -6.251) 11.272 34.854 ( -1.192 6.690 6.876) 9.667 35.230 ( -0.348 -10.957 11.416) 15.827 35.883 ( 15.404 2.611 -4.964) 16.393 36.017 ( 11.692 -2.904 -7.438) 14.158 ======================= Grid point 69 (37/72) ======================= q-point: (-0.14 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -2.699 18.704 1.316) 18.943 1.579 ( -12.034 28.589 -2.439) 31.114 1.674 ( -13.983 -3.150 3.762) 14.819 1.926 ( -4.015 0.617 1.074) 4.202 2.047 ( 4.726 -2.997 0.745) 5.646 2.146 ( 0.122 2.220 -4.367) 4.900 2.274 ( 0.349 2.085 1.934) 2.865 2.361 ( -10.405 5.635 3.987) 12.486 2.401 ( -7.270 -0.928 2.142) 7.636 2.522 ( -13.425 -11.625 -0.286) 17.761 2.627 ( -8.042 -10.109 2.025) 13.076 2.841 ( -3.052 12.685 5.559) 14.182 2.905 ( -2.616 8.394 -6.462) 10.911 3.096 ( 2.380 -10.384 -5.429) 11.957 3.222 ( -2.208 -3.546 -2.376) 4.806 3.310 ( -5.429 -5.762 -7.624) 10.991 3.455 ( -5.322 1.399 7.531) 9.327 3.575 ( -3.667 3.596 -6.429) 8.228 3.662 ( 4.736 -5.745 0.811) 7.489 3.793 ( -3.811 -4.591 8.871) 10.691 3.875 ( 0.086 4.448 0.475) 4.474 4.019 ( 1.593 -5.116 4.742) 7.156 4.094 ( 0.743 -2.657 -6.066) 6.664 4.170 ( 0.949 4.443 0.757) 4.606 4.193 ( 3.472 0.612 4.091) 5.401 4.371 ( -2.847 7.969 1.987) 8.692 4.462 ( -4.063 -5.800 2.006) 7.360 4.577 ( 2.139 1.971 1.840) 3.442 4.629 ( -1.209 4.360 -1.753) 4.852 4.695 ( -3.196 3.396 -5.454) 7.175 4.756 ( 3.336 2.650 0.762) 4.329 4.880 ( 3.008 -0.832 3.915) 5.007 4.948 ( 1.290 -2.456 -5.961) 6.575 5.028 ( 2.997 0.725 4.601) 5.539 5.092 ( 5.361 -1.990 -4.033) 6.998 5.142 ( -3.519 5.381 -1.724) 6.657 5.215 ( 2.484 3.207 -1.858) 4.461 5.365 ( -1.353 -1.495 -5.493) 5.852 5.414 ( 0.956 -2.209 1.886) 3.058 5.453 ( 1.123 0.781 -1.355) 1.925 5.548 ( -0.545 0.157 -1.630) 1.725 5.681 ( -4.144 -0.235 7.201) 8.311 5.705 ( -1.490 -2.482 9.205) 9.649 5.784 ( 0.910 -2.908 2.932) 4.229 6.070 ( 3.622 1.619 -1.642) 4.294 6.227 ( 3.438 -4.165 0.138) 5.402 6.517 ( 2.425 1.293 2.001) 3.399 6.614 ( -1.280 -2.493 2.397) 3.688 6.881 ( 2.513 -1.726 1.075) 3.233 6.968 ( -0.355 -4.775 -1.521) 5.024 7.208 ( -0.886 -1.771 1.870) 2.724 7.245 ( -2.787 -4.238 1.876) 5.408 7.547 ( -1.567 6.951 -0.311) 7.132 7.653 ( 3.288 3.596 -3.904) 6.244 7.812 ( 4.517 -2.246 3.409) 6.089 7.837 ( 6.143 -2.636 -2.589) 7.169 8.695 ( 1.028 5.890 3.021) 6.699 8.918 ( -1.083 -3.345 5.979) 6.936 9.340 ( 3.963 4.790 -4.389) 7.610 9.469 ( 1.995 -0.340 1.634) 2.601 9.761 ( 4.294 0.758 -3.102) 5.351 9.894 ( -0.239 0.461 -3.084) 3.128 9.940 ( 1.328 -0.235 -2.433) 2.782 9.973 ( 3.563 -1.906 -2.855) 4.948 10.237 ( 5.182 -0.553 1.092) 5.325 10.382 ( -1.305 -6.584 3.559) 7.597 10.629 ( 7.241 2.868 -3.944) 8.730 10.683 ( 6.237 -0.221 -2.408) 6.689 11.435 ( -1.391 0.794 -0.537) 1.690 11.503 ( -2.135 -2.116 -1.218) 3.243 11.730 ( -1.151 0.525 -0.742) 1.467 11.762 ( -3.460 -1.125 -0.433) 3.663 12.249 ( 1.981 0.628 -0.078) 2.079 12.285 ( 0.938 -1.492 -0.601) 1.862 12.486 ( 1.663 -1.232 -0.204) 2.080 12.493 ( 1.226 -2.030 0.339) 2.396 13.774 ( 0.204 1.477 -0.038) 1.492 13.811 ( 1.442 1.005 0.972) 2.008 13.828 ( 0.176 0.125 -0.818) 0.846 13.870 ( -1.413 -0.638 -0.049) 1.551 14.647 ( 0.047 0.416 -0.286) 0.507 14.726 ( -3.832 -3.439 1.223) 5.293 14.822 ( -4.910 1.151 -0.743) 5.097 14.917 ( -3.371 -4.322 0.110) 5.483 15.020 ( -9.913 1.012 -1.490) 10.075 15.142 ( -7.884 -3.693 1.168) 8.784 15.360 ( -2.727 2.275 -5.087) 6.204 15.382 ( -1.544 1.170 -1.540) 2.475 15.844 ( -1.285 1.128 0.238) 1.726 15.932 ( -1.750 -2.354 1.743) 3.412 16.025 ( -3.766 1.018 -0.429) 3.925 16.073 ( -4.069 -1.174 2.450) 4.893 16.832 ( -4.595 4.373 1.862) 6.611 16.936 ( -2.075 1.037 0.589) 2.394 17.100 ( 1.364 1.573 -0.118) 2.085 17.147 ( 0.371 -1.071 -1.930) 2.238 17.427 ( -2.082 -2.441 -0.054) 3.209 17.497 ( -2.964 -5.042 -1.517) 6.043 17.951 ( -2.354 4.954 1.062) 5.587 18.014 ( -1.582 2.503 -0.358) 2.982 20.915 ( 6.898 2.490 0.227) 7.338 20.976 ( 7.753 0.009 1.409) 7.880 21.098 ( 2.535 0.649 -1.136) 2.853 21.170 ( 4.386 -2.532 -1.355) 5.243 27.067 ( -5.765 1.597 -1.343) 6.131 27.192 ( -5.119 -2.691 1.695) 6.026 27.289 ( -10.470 -1.111 -4.791) 11.568 27.490 ( -7.767 -7.210 1.370) 10.686 29.457 ( -2.019 1.129 -0.443) 2.355 29.467 ( -2.016 0.854 -0.114) 2.193 29.598 ( -3.390 -0.133 0.479) 3.426 29.606 ( -3.531 -0.462 0.314) 3.575 30.212 ( 0.536 2.527 -1.461) 2.968 30.267 ( 0.990 0.025 -3.277) 3.423 30.665 ( 1.847 1.464 -0.566) 2.424 30.693 ( 0.938 0.778 -1.818) 2.189 31.345 ( -3.100 4.773 8.243) 10.017 31.387 ( -3.904 0.313 3.569) 5.299 31.537 ( -1.531 -0.833 0.011) 1.743 31.603 ( -0.285 -1.857 4.857) 5.208 31.946 ( -2.722 7.296 1.139) 7.870 32.255 ( -2.376 -7.509 6.262) 10.062 32.774 ( 5.064 10.848 -5.356) 13.115 33.101 ( 6.151 -2.703 0.611) 6.746 33.360 ( -3.200 6.443 -0.470) 7.210 33.511 ( -0.542 -1.946 -1.703) 2.642 33.802 ( -1.209 -1.859 0.379) 2.250 33.960 ( -2.280 -8.562 -8.039) 11.964 34.917 ( 1.450 8.373 7.202) 11.138 35.295 ( -2.247 -11.099 10.857) 15.688 36.089 ( 9.399 2.551 -5.684) 11.276 36.242 ( 15.505 -3.614 -7.419) 17.564 ======================= Grid point 70 (38/72) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 2.582 -6.047 2.732) 7.120 1.451 ( 2.582 6.047 2.732) 7.120 1.884 ( -1.122 -8.566 -3.805) 9.440 1.884 ( -1.122 8.566 -3.805) 9.440 2.146 ( 7.907 -6.375 -2.472) 10.453 2.146 ( 7.907 6.375 -2.472) 10.453 2.257 ( 2.633 -1.655 0.536) 3.155 2.257 ( 2.633 1.655 0.536) 3.155 2.314 ( -1.725 -4.445 0.136) 4.770 2.314 ( -1.725 4.445 0.136) 4.770 2.635 ( -0.652 -18.131 0.996) 18.170 2.635 ( -0.652 18.131 0.996) 18.170 3.000 ( -0.350 -7.779 -8.155) 11.275 3.000 ( -0.350 7.779 -8.155) 11.275 3.143 ( -0.502 -2.961 1.908) 3.558 3.143 ( -0.502 2.961 1.908) 3.558 3.484 ( -3.356 -10.576 5.156) 12.235 3.484 ( -3.356 10.576 5.156) 12.235 3.689 ( 2.339 -5.421 0.731) 5.949 3.689 ( 2.339 5.421 0.731) 5.949 4.013 ( 1.062 -3.530 7.979) 8.789 4.013 ( 1.062 3.530 7.979) 8.789 4.120 ( -5.266 -8.153 -0.571) 9.723 4.120 ( -5.266 8.153 -0.571) 9.723 4.244 ( 1.856 -3.676 -4.153) 5.849 4.244 ( 1.856 3.676 -4.153) 5.849 4.584 ( -4.451 -1.767 -1.688) 5.078 4.584 ( -4.451 1.767 -1.688) 5.078 4.699 ( 4.773 -5.480 2.826) 7.797 4.699 ( 4.773 5.480 2.826) 7.797 4.849 ( -1.174 -5.037 0.539) 5.200 4.849 ( -1.174 5.037 0.539) 5.200 4.974 ( 0.157 -1.338 -5.338) 5.506 4.974 ( 0.157 1.338 -5.338) 5.506 5.075 ( -6.155 -4.166 -1.391) 7.561 5.075 ( -6.155 4.166 -1.391) 7.561 5.332 ( 5.012 -2.083 -2.324) 5.904 5.332 ( 5.012 2.083 -2.324) 5.904 5.428 ( 1.668 -1.522 1.849) 2.918 5.428 ( 1.668 1.522 1.849) 2.918 5.678 ( -1.272 -5.817 8.187) 10.124 5.678 ( -1.272 5.817 8.187) 10.124 5.701 ( -2.277 -5.342 9.980) 11.546 5.701 ( -2.277 5.342 9.980) 11.546 6.173 ( -1.116 -4.277 0.158) 4.423 6.173 ( -1.116 4.277 0.158) 4.423 6.600 ( 1.658 -1.117 -1.330) 2.401 6.600 ( 1.658 1.117 -1.330) 2.401 6.938 ( 3.370 -1.738 2.695) 4.652 6.938 ( 3.370 1.738 2.695) 4.652 7.176 ( -2.126 -0.673 1.993) 2.990 7.176 ( -2.126 0.673 1.993) 2.990 7.654 ( -3.233 -8.156 -0.193) 8.775 7.654 ( -3.233 8.156 -0.193) 8.775 7.801 ( 1.855 -4.923 -6.513) 8.372 7.801 ( 1.855 4.923 -6.513) 8.372 8.834 ( -1.501 -4.949 2.373) 5.690 8.834 ( -1.501 4.949 2.373) 5.690 9.439 ( -0.741 -3.817 -2.061) 4.401 9.439 ( -0.741 3.817 -2.061) 4.401 9.824 ( 2.131 -3.881 -5.960) 7.425 9.824 ( 2.131 3.881 -5.960) 7.425 9.976 ( 3.009 -3.459 -4.091) 6.145 9.976 ( 3.009 3.459 -4.091) 6.145 10.298 ( -1.975 -2.414 5.423) 6.256 10.298 ( -1.975 2.414 5.423) 6.256 10.708 ( 0.078 -1.550 -5.410) 5.628 10.708 ( 0.078 1.550 -5.410) 5.628 11.450 ( 0.677 -0.727 1.312) 1.646 11.450 ( 0.677 0.727 1.312) 1.646 11.704 ( -0.256 -0.735 -1.940) 2.090 11.704 ( -0.256 0.735 -1.940) 2.090 12.264 ( -0.780 -1.273 -1.370) 2.026 12.264 ( -0.780 1.273 -1.370) 2.026 12.495 ( 0.370 -0.673 0.722) 1.055 12.495 ( 0.370 0.673 0.722) 1.055 13.813 ( 0.426 -1.281 0.092) 1.353 13.813 ( 0.426 1.281 0.092) 1.353 13.841 ( -0.782 -0.911 0.307) 1.239 13.841 ( -0.782 0.911 0.307) 1.239 14.655 ( -0.304 -0.854 -0.376) 0.982 14.655 ( -0.304 0.854 -0.376) 0.982 14.817 ( 0.710 -1.038 -0.812) 1.497 14.817 ( 0.710 1.038 -0.812) 1.497 14.977 ( 0.421 -1.562 1.868) 2.471 14.977 ( 0.421 1.562 1.868) 2.471 15.357 ( 1.105 -1.353 -2.535) 3.078 15.357 ( 1.105 1.353 -2.535) 3.078 15.912 ( 1.708 -1.723 1.759) 2.997 15.912 ( 1.708 1.723 1.759) 2.997 15.991 ( -1.723 -1.984 0.563) 2.687 15.991 ( -1.723 1.984 0.563) 2.687 16.868 ( -0.989 -3.017 1.634) 3.571 16.868 ( -0.989 3.017 1.634) 3.571 17.125 ( 0.268 -0.931 -1.677) 1.937 17.125 ( 0.268 0.931 -1.677) 1.937 17.406 ( 0.473 -1.682 0.041) 1.748 17.406 ( 0.473 1.682 0.041) 1.748 18.008 ( -0.781 -2.086 0.139) 2.231 18.008 ( -0.781 2.086 0.139) 2.231 21.036 ( -0.692 -2.145 0.920) 2.434 21.036 ( -0.692 2.145 0.920) 2.434 21.155 ( 0.661 -2.813 -1.279) 3.160 21.155 ( 0.661 2.813 -1.279) 3.160 27.107 ( 1.786 -5.839 0.557) 6.131 27.107 ( 1.786 5.839 0.557) 6.131 27.235 ( -1.837 -6.497 -0.780) 6.796 27.235 ( -1.837 6.497 -0.780) 6.796 29.450 ( 0.169 -0.177 -0.261) 0.358 29.450 ( 0.169 0.177 -0.261) 0.358 29.573 ( -0.081 -0.211 0.531) 0.578 29.573 ( -0.081 0.211 0.531) 0.578 30.250 ( 0.585 -1.209 -1.229) 1.820 30.250 ( 0.585 1.209 -1.229) 1.820 30.696 ( 0.006 -0.185 -1.421) 1.433 30.696 ( 0.006 0.185 -1.421) 1.433 31.364 ( -2.952 -1.021 4.399) 5.395 31.364 ( -2.952 1.021 4.399) 5.395 31.609 ( 1.936 -3.270 5.459) 6.651 31.609 ( 1.936 3.270 5.459) 6.651 32.093 ( -1.592 -8.532 5.236) 10.136 32.093 ( -1.592 8.532 5.236) 10.136 33.021 ( 1.791 -8.669 -4.387) 9.880 33.021 ( 1.791 8.669 -4.387) 9.880 33.425 ( 0.005 -5.236 -0.463) 5.256 33.425 ( 0.005 5.236 -0.463) 5.256 33.777 ( 0.847 -3.205 -4.268) 5.404 33.777 ( 0.847 3.205 -4.268) 5.404 35.125 ( -3.123 -7.470 7.813) 11.251 35.125 ( -3.123 7.470 7.813) 11.251 36.241 ( 2.226 -5.346 -7.916) 9.808 36.241 ( 2.226 5.346 -7.916) 9.808 ======================= Grid point 72 (39/72) ======================= q-point: ( 0.14 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 6.041 -8.242 0.192) 10.220 1.581 ( 6.041 8.242 0.192) 10.220 1.918 ( 7.386 -5.359 -1.017) 9.181 1.918 ( 7.386 5.359 -1.017) 9.181 2.176 ( 1.601 -7.859 -9.083) 12.117 2.176 ( 1.601 7.859 -9.083) 12.117 2.398 ( 11.137 -7.249 1.545) 13.378 2.398 ( 11.137 7.249 1.545) 13.378 2.490 ( 14.705 -6.088 3.468) 16.289 2.490 ( 14.705 6.088 3.468) 16.289 2.665 ( 2.769 -14.723 2.862) 15.252 2.665 ( 2.769 14.723 2.862) 15.252 2.985 ( 5.843 -4.982 -7.749) 10.909 2.985 ( 5.843 4.982 -7.749) 10.909 3.165 ( 0.945 -4.143 1.604) 4.542 3.165 ( 0.945 4.143 1.604) 4.542 3.491 ( -1.266 -13.357 7.520) 15.380 3.491 ( -1.266 13.357 7.520) 15.380 3.672 ( -2.819 -3.663 -3.680) 5.909 3.672 ( -2.819 3.663 -3.680) 5.909 4.007 ( -5.741 -7.123 4.538) 10.212 4.007 ( -5.741 7.123 4.538) 10.212 4.120 ( 1.882 -2.476 2.736) 4.143 4.120 ( 1.882 2.476 2.736) 4.143 4.306 ( 8.735 -3.556 -0.269) 9.435 4.306 ( 8.735 3.556 -0.269) 9.435 4.490 ( -4.512 -2.165 -1.280) 5.165 4.490 ( -4.512 2.165 -1.280) 5.165 4.721 ( -0.149 -3.498 -7.757) 8.511 4.721 ( -0.149 3.498 -7.757) 8.511 4.780 ( -6.309 -7.198 -2.330) 9.852 4.780 ( -6.309 7.198 -2.330) 9.852 4.919 ( 0.469 -1.411 2.761) 3.136 4.919 ( 0.469 1.411 2.761) 3.136 5.048 ( -1.263 -6.055 2.391) 6.631 5.048 ( -1.263 6.055 2.391) 6.631 5.341 ( -0.965 -3.727 -2.742) 4.727 5.341 ( -0.965 3.727 -2.742) 4.727 5.463 ( -2.287 -2.689 2.838) 4.530 5.463 ( -2.287 2.689 2.838) 4.530 5.685 ( -3.130 -4.372 6.835) 8.697 5.685 ( -3.130 4.372 6.835) 8.697 5.795 ( 3.960 -11.249 7.602) 14.143 5.795 ( 3.960 11.249 7.602) 14.143 6.120 ( -3.880 -2.898 0.692) 4.891 6.120 ( -3.880 2.898 0.692) 4.891 6.587 ( -2.971 -2.204 -0.202) 3.705 6.587 ( -2.971 2.204 -0.202) 3.705 7.037 ( 3.875 -0.424 2.229) 4.491 7.037 ( 3.875 0.424 2.229) 4.491 7.150 ( -1.896 -2.400 2.776) 4.131 7.150 ( -1.896 2.400 2.776) 4.131 7.567 ( -3.013 -6.851 -3.452) 8.242 7.567 ( -3.013 6.851 -3.452) 8.242 7.764 ( -0.929 -6.143 -4.713) 7.798 7.764 ( -0.929 6.143 -4.713) 7.798 8.793 ( -4.678 -3.784 2.398) 6.477 8.793 ( -4.678 3.784 2.398) 6.477 9.395 ( -1.405 -4.586 -2.703) 5.506 9.395 ( -1.405 4.586 -2.703) 5.506 9.818 ( 1.644 -1.861 -5.339) 5.888 9.818 ( 1.644 1.861 -5.339) 5.888 9.996 ( 2.138 -1.761 -3.136) 4.184 9.996 ( 2.138 1.761 -3.136) 4.184 10.283 ( -3.494 -1.626 5.435) 6.662 10.283 ( -3.494 1.626 5.435) 6.662 10.597 ( -6.439 -2.675 -4.412) 8.251 10.597 ( -6.439 2.675 -4.412) 8.251 11.498 ( 2.555 -1.817 0.609) 3.194 11.498 ( 2.555 1.817 0.609) 3.194 11.710 ( 2.486 -1.835 -1.605) 3.482 11.710 ( 2.486 1.835 -1.605) 3.482 12.226 ( -1.741 -1.457 -0.770) 2.398 12.226 ( -1.741 1.457 -0.770) 2.398 12.490 ( -1.508 -1.162 0.519) 1.973 12.490 ( -1.508 1.162 0.519) 1.973 13.813 ( -0.876 -1.909 -0.195) 2.110 13.813 ( -0.876 1.909 -0.195) 2.110 13.835 ( 0.268 -1.082 0.373) 1.175 13.835 ( 0.268 1.082 0.373) 1.175 14.672 ( 2.483 -1.400 0.469) 2.889 14.672 ( 2.483 1.400 0.469) 2.889 14.862 ( 3.775 -2.657 -0.541) 4.648 14.862 ( 3.775 2.657 -0.541) 4.648 15.062 ( 5.643 -0.274 -0.067) 5.650 15.062 ( 5.643 0.274 -0.067) 5.650 15.396 ( 4.720 -2.073 -2.926) 5.927 15.396 ( 4.720 2.073 -2.926) 5.927 15.945 ( 0.999 -0.990 2.215) 2.624 15.945 ( 0.999 0.990 2.215) 2.624 16.027 ( 3.787 -3.101 0.591) 4.931 16.027 ( 3.787 3.101 0.591) 4.931 16.901 ( 2.984 -2.562 1.226) 4.119 16.901 ( 2.984 2.562 1.226) 4.119 17.125 ( 1.205 -0.980 -1.023) 1.860 17.125 ( 1.205 0.980 -1.023) 1.860 17.426 ( 1.419 -1.818 -0.419) 2.344 17.426 ( 1.419 1.818 -0.419) 2.344 17.997 ( -0.090 -2.641 -0.069) 2.643 17.997 ( -0.090 2.641 -0.069) 2.643 20.956 ( -7.741 -0.998 1.073) 7.878 20.956 ( -7.741 0.998 1.073) 7.878 21.125 ( -2.607 -2.742 -1.187) 3.965 21.125 ( -2.607 2.742 -1.187) 3.965 27.107 ( -0.754 -2.263 -0.842) 2.529 27.107 ( -0.754 2.263 -0.842) 2.529 27.349 ( 11.765 -3.279 0.055) 12.214 27.349 ( 11.765 3.279 0.055) 12.214 29.472 ( 2.116 -0.392 -0.360) 2.182 29.472 ( 2.116 0.392 -0.360) 2.182 29.606 ( 3.017 -0.897 0.605) 3.205 29.606 ( 3.017 0.897 0.605) 3.205 30.256 ( 0.950 -1.113 -1.070) 1.813 30.256 ( 0.950 1.113 -1.070) 1.813 30.671 ( -1.428 -0.980 -1.347) 2.194 30.671 ( -1.428 0.980 -1.347) 2.194 31.353 ( -1.940 -2.212 4.602) 5.462 31.353 ( -1.940 2.212 4.602) 5.462 31.702 ( 4.037 -3.390 3.327) 6.234 31.702 ( 4.037 3.390 3.327) 6.234 32.110 ( -1.871 -8.349 6.514) 10.754 32.110 ( -1.871 8.349 6.514) 10.754 32.982 ( -1.596 -7.255 -5.464) 9.222 32.982 ( -1.596 7.255 -5.464) 9.222 33.459 ( 3.288 -6.407 0.461) 7.217 33.459 ( 3.288 6.407 0.461) 7.217 33.790 ( 4.128 -6.328 -4.282) 8.684 33.790 ( 4.128 6.328 -4.282) 8.684 35.093 ( -6.511 -5.841 7.938) 11.812 35.093 ( -6.511 5.841 7.938) 11.812 36.133 ( -6.255 -5.188 -7.402) 10.992 36.133 ( -6.255 5.188 -7.402) 10.992 ======================= Grid point 74 (40/72) ======================= q-point: ( 0.29 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 1.962 -5.774 -5.903) 8.487 1.631 ( 1.962 5.774 -5.903) 8.487 2.033 ( 4.360 -2.889 -7.207) 8.904 2.033 ( 4.360 2.889 -7.207) 8.904 2.217 ( 7.848 -2.729 -0.025) 8.309 2.217 ( 7.848 2.729 -0.025) 8.309 2.521 ( 1.677 -7.140 -1.762) 7.543 2.521 ( 1.677 7.140 -1.762) 7.543 2.773 ( 11.607 -11.250 3.409) 16.520 2.773 ( 11.607 11.250 3.409) 16.520 2.884 ( 12.608 -6.611 7.849) 16.256 2.884 ( 12.608 6.611 7.849) 16.256 3.083 ( 3.210 -5.966 -5.837) 8.942 3.083 ( 3.210 5.966 -5.837) 8.942 3.166 ( 4.811 -8.557 -2.425) 10.112 3.166 ( 4.811 8.557 -2.425) 10.112 3.544 ( 2.233 -8.360 -1.612) 8.802 3.544 ( 2.233 8.360 -1.612) 8.802 3.629 ( 0.931 -3.616 6.064) 7.121 3.629 ( 0.931 3.616 6.064) 7.121 3.969 ( -0.129 -5.244 0.460) 5.265 3.969 ( -0.129 5.244 0.460) 5.265 4.138 ( -1.141 -8.290 1.897) 8.580 4.138 ( -1.141 8.290 1.897) 8.580 4.397 ( -3.026 -2.866 -1.359) 4.384 4.397 ( -3.026 2.866 -1.359) 4.384 4.513 ( 5.844 -4.241 1.860) 7.456 4.513 ( 5.844 4.241 1.860) 7.456 4.604 ( -1.034 -2.328 -0.709) 2.644 4.604 ( -1.034 2.328 -0.709) 2.644 4.722 ( -0.347 -3.643 -5.225) 6.379 4.722 ( -0.347 3.643 -5.225) 6.379 4.933 ( -0.828 -1.554 2.106) 2.745 4.933 ( -0.828 1.554 2.106) 2.745 5.033 ( -1.388 -5.159 1.809) 5.640 5.033 ( -1.388 5.159 1.809) 5.640 5.264 ( -5.049 -3.170 -1.358) 6.114 5.264 ( -5.049 3.170 -1.358) 6.114 5.405 ( -5.521 -4.455 4.685) 8.501 5.405 ( -5.521 4.455 4.685) 8.501 5.656 ( -4.391 -2.001 2.665) 5.513 5.656 ( -4.391 2.001 2.665) 5.513 5.898 ( -0.180 -9.281 3.460) 9.907 5.898 ( -0.180 9.281 3.460) 9.907 6.085 ( 0.312 -2.890 3.033) 4.201 6.085 ( 0.312 2.890 3.033) 4.201 6.485 ( -7.073 -4.428 0.871) 8.389 6.485 ( -7.073 4.428 0.871) 8.389 7.058 ( 0.397 -3.179 -4.873) 5.832 7.058 ( 0.397 3.179 -4.873) 5.832 7.186 ( 0.993 -5.073 5.858) 7.813 7.186 ( 0.993 5.073 5.858) 7.813 7.537 ( 2.016 -4.017 -1.242) 4.663 7.537 ( 2.016 4.017 -1.242) 4.663 7.694 ( -2.753 -5.771 -4.249) 7.677 7.694 ( -2.753 5.771 -4.249) 7.677 8.712 ( -5.384 -2.342 2.961) 6.576 8.712 ( -5.384 2.342 2.961) 6.576 9.356 ( -0.203 -3.853 -3.062) 4.926 9.356 ( -0.203 3.853 -3.062) 4.926 9.793 ( -0.069 -3.089 -4.801) 5.709 9.793 ( -0.069 3.089 -4.801) 5.709 10.007 ( 0.690 -2.419 -2.033) 3.235 10.007 ( 0.690 2.419 -2.033) 3.235 10.266 ( -2.378 -2.633 4.483) 5.717 10.266 ( -2.378 2.633 4.483) 5.717 10.454 ( -4.594 -4.119 -1.920) 6.462 10.454 ( -4.594 4.119 -1.920) 6.462 11.529 ( 1.036 -2.299 -1.336) 2.854 11.529 ( 1.036 2.299 -1.336) 2.854 11.765 ( 3.322 -2.489 0.040) 4.152 11.765 ( 3.322 2.489 0.040) 4.152 12.205 ( 0.045 -0.767 0.078) 0.773 12.205 ( 0.045 0.767 0.078) 0.773 12.449 ( -2.898 -1.587 0.228) 3.312 12.449 ( -2.898 1.587 0.228) 3.312 13.784 ( -1.795 -2.382 0.367) 3.006 13.784 ( -1.795 2.382 0.367) 3.006 13.851 ( 1.113 -1.273 -0.569) 1.784 13.851 ( 1.113 1.273 -0.569) 1.784 14.728 ( 1.683 -1.433 0.988) 2.421 14.728 ( 1.683 1.433 0.988) 2.421 14.953 ( 6.757 -2.997 -0.707) 7.426 14.953 ( 6.757 2.997 -0.707) 7.426 15.150 ( 3.362 -1.627 0.141) 3.738 15.150 ( 3.362 1.627 0.141) 3.738 15.454 ( 3.406 -1.708 -3.588) 5.233 15.454 ( 3.406 1.708 -3.588) 5.233 16.005 ( 3.443 -0.448 1.362) 3.729 16.005 ( 3.443 0.448 1.362) 3.729 16.091 ( 1.726 -2.973 0.972) 3.573 16.091 ( 1.726 2.973 0.972) 3.573 16.975 ( 3.338 -2.858 0.399) 4.412 16.975 ( 3.338 2.858 0.399) 4.412 17.151 ( 1.403 -0.811 -0.171) 1.629 17.151 ( 1.403 0.811 -0.171) 1.629 17.449 ( 1.497 -2.354 -0.499) 2.835 17.449 ( 1.497 2.354 -0.499) 2.835 18.024 ( 3.326 -3.197 -0.045) 4.614 18.024 ( 3.326 3.197 -0.045) 4.614 20.795 ( -9.294 -0.375 1.210) 9.380 20.795 ( -9.294 0.375 1.210) 9.380 21.054 ( -3.203 -1.810 -1.276) 3.894 21.054 ( -3.203 1.810 -1.276) 3.894 27.108 ( 1.315 -1.979 0.014) 2.376 27.108 ( 1.315 1.979 0.014) 2.376 27.575 ( 10.742 -6.115 -0.769) 12.384 27.575 ( 10.742 6.115 -0.769) 12.384 29.513 ( 2.312 -0.977 -0.323) 2.531 29.513 ( 2.312 0.977 -0.323) 2.531 29.684 ( 4.099 -2.274 0.527) 4.718 29.684 ( 4.099 2.274 0.527) 4.718 30.268 ( 1.100 -0.984 -1.139) 1.864 30.268 ( 1.100 0.984 -1.139) 1.864 30.629 ( -1.727 -1.935 -1.018) 2.787 30.629 ( -1.727 1.935 -1.018) 2.787 31.360 ( -1.281 -3.041 5.190) 6.150 31.360 ( -1.281 3.041 5.190) 6.150 31.801 ( 4.131 -2.667 0.850) 4.990 31.801 ( 4.131 2.667 0.850) 4.990 32.107 ( -3.081 -6.613 4.438) 8.540 32.107 ( -3.081 6.613 4.438) 8.540 32.899 ( -2.338 -7.134 -4.562) 8.785 32.899 ( -2.338 7.134 -4.562) 8.785 33.535 ( 4.182 -6.196 -0.551) 7.495 33.535 ( 4.182 6.196 -0.551) 7.495 33.862 ( 5.803 -9.595 -2.827) 11.565 33.862 ( 5.803 9.595 -2.827) 11.565 35.016 ( -7.742 -4.921 8.602) 12.576 35.016 ( -7.742 4.921 8.602) 12.576 35.938 ( -7.386 -6.729 -6.784) 12.077 35.938 ( -7.386 6.729 -6.784) 12.077 ======================= Grid point 76 (41/72) ======================= q-point: ( 0.43 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 0.532 -5.003 -9.977) 11.173 1.584 ( 0.532 5.003 -9.977) 11.173 2.016 ( 1.762 -4.008 -10.483) 11.361 2.016 ( 1.762 4.008 -10.483) 11.361 2.344 ( 2.559 -1.792 1.101) 3.313 2.344 ( 2.559 1.793 1.101) 3.313 2.527 ( 0.671 -8.699 0.040) 8.725 2.527 ( 0.671 8.699 0.040) 8.725 2.886 ( -2.724 -15.534 -2.260) 15.932 2.886 ( -2.724 15.534 -2.260) 15.932 3.034 ( 2.190 -5.692 -0.981) 6.177 3.034 ( 2.190 5.692 -0.981) 6.177 3.148 ( 7.012 -12.447 8.929) 16.846 3.148 ( 7.012 12.447 8.929) 16.846 3.348 ( 8.597 -6.438 3.857) 11.412 3.348 ( 8.597 6.438 3.857) 11.412 3.517 ( -0.355 -4.130 -6.004) 7.297 3.517 ( -0.355 4.130 -6.004) 7.297 3.748 ( 2.419 -8.025 4.758) 9.638 3.748 ( 2.419 8.025 4.758) 9.638 4.010 ( 3.498 -3.344 -0.133) 4.841 4.010 ( 3.498 3.344 -0.133) 4.841 4.101 ( -2.552 -6.394 0.330) 6.892 4.101 ( -2.552 6.394 0.330) 6.892 4.365 ( -0.471 -2.363 2.334) 3.354 4.365 ( -0.471 2.363 2.334) 3.354 4.498 ( -2.017 -6.078 -0.296) 6.411 4.498 ( -2.017 6.078 -0.296) 6.411 4.638 ( -1.316 -3.503 -5.421) 6.587 4.638 ( -1.316 3.503 -5.421) 6.587 4.749 ( 5.955 -2.831 1.871) 6.854 4.749 ( 5.955 2.831 1.871) 6.854 4.899 ( -3.264 -5.369 -0.741) 6.327 4.899 ( -3.264 5.369 -0.741) 6.327 5.058 ( -0.046 -6.217 2.325) 6.638 5.058 ( -0.046 6.217 2.325) 6.638 5.179 ( -0.144 -2.201 -0.022) 2.206 5.179 ( -0.144 2.201 -0.022) 2.206 5.349 ( -4.152 -2.994 4.287) 6.677 5.349 ( -4.152 2.994 4.287) 6.677 5.580 ( -3.554 -2.807 1.688) 4.833 5.580 ( -3.554 2.807 1.688) 4.833 5.850 ( -5.600 -3.876 3.623) 7.714 5.850 ( -5.600 3.876 3.623) 7.714 6.139 ( 1.124 -5.617 1.468) 5.914 6.139 ( 1.124 5.617 1.468) 5.914 6.385 ( -3.392 -6.047 1.546) 7.103 6.385 ( -3.392 6.047 1.546) 7.103 7.033 ( 0.982 -4.180 -4.263) 6.051 7.033 ( 0.982 4.180 -4.263) 6.051 7.229 ( -0.175 -5.718 2.633) 6.297 7.229 ( -0.175 5.718 2.633) 6.297 7.560 ( -0.714 -5.906 -3.627) 6.968 7.560 ( -0.714 5.906 -3.627) 6.968 7.639 ( 1.570 -1.392 -0.650) 2.197 7.639 ( 1.570 1.392 -0.650) 2.197 8.658 ( -2.645 -1.570 4.188) 5.196 8.658 ( -2.645 1.570 4.188) 5.196 9.341 ( 1.328 -1.838 -3.757) 4.388 9.341 ( 1.328 1.838 -3.757) 4.388 9.757 ( 0.281 -5.745 -3.859) 6.926 9.757 ( 0.281 5.745 -3.859) 6.926 9.981 ( -0.970 -3.780 -3.107) 4.988 9.981 ( -0.970 3.780 -3.107) 4.988 10.252 ( -2.144 -3.587 3.250) 5.294 10.252 ( -2.144 3.587 3.250) 5.294 10.424 ( 1.023 -4.732 1.509) 5.070 10.424 ( 1.023 4.732 1.509) 5.071 11.528 ( 0.476 -1.522 -2.197) 2.715 11.528 ( 0.476 1.522 -2.197) 2.715 11.814 ( 1.182 -2.614 0.767) 2.970 11.814 ( 1.182 2.614 0.767) 2.970 12.225 ( 1.359 -0.503 0.670) 1.597 12.225 ( 1.359 0.503 0.670) 1.597 12.397 ( -2.142 -1.976 0.071) 2.915 12.397 ( -2.142 1.976 0.071) 2.915 13.760 ( -0.932 -2.294 0.675) 2.567 13.760 ( -0.932 2.294 0.675) 2.567 13.862 ( 0.753 -1.179 -1.205) 1.847 13.862 ( 0.753 1.179 -1.205) 1.847 14.739 ( -0.620 -0.132 0.029) 0.635 14.739 ( -0.620 0.132 0.029) 0.635 15.088 ( 6.127 -2.102 -0.011) 6.478 15.088 ( 6.127 2.102 -0.011) 6.478 15.183 ( -0.415 -2.444 1.692) 3.002 15.183 ( -0.415 2.444 1.692) 3.002 15.473 ( 1.910 -0.867 -3.454) 4.041 15.473 ( 1.910 0.867 -3.454) 4.041 16.068 ( 1.107 -1.191 1.328) 2.099 16.068 ( 1.107 1.191 1.328) 2.099 16.105 ( -0.140 -2.671 0.140) 2.679 16.105 ( -0.140 2.671 0.140) 2.679 17.018 ( 1.172 -2.592 -0.209) 2.852 17.018 ( 1.172 2.592 -0.209) 2.852 17.154 ( -0.665 -0.639 -1.056) 1.402 17.154 ( -0.665 0.639 -1.056) 1.402 17.479 ( 1.343 -2.510 0.939) 2.998 17.479 ( 1.343 2.510 0.939) 2.998 18.104 ( 3.626 -2.981 0.572) 4.728 18.104 ( 3.626 2.981 0.572) 4.728 20.658 ( -4.869 -0.491 0.549) 4.925 20.658 ( -4.869 0.491 0.549) 4.925 21.003 ( -0.884 -0.977 -1.041) 1.680 21.003 ( -0.884 0.977 -1.041) 1.680 27.150 ( 1.665 -0.719 2.509) 3.096 27.150 ( 1.665 0.719 2.509) 3.096 27.709 ( 4.133 -6.907 -2.024) 8.300 27.709 ( 4.133 6.907 -2.024) 8.300 29.548 ( 1.234 -1.244 0.095) 1.755 29.548 ( 1.234 1.244 0.095) 1.755 29.745 ( 1.522 -3.133 0.061) 3.484 29.745 ( 1.522 3.133 0.061) 3.484 30.275 ( 0.614 -0.445 -1.480) 1.663 30.275 ( 0.614 0.445 -1.480) 1.663 30.602 ( -0.207 -2.348 -0.433) 2.397 30.602 ( -0.207 2.348 -0.433) 2.397 31.381 ( -1.255 -3.366 6.276) 7.231 31.381 ( -1.255 3.366 6.276) 7.231 31.832 ( -1.172 -2.218 -3.178) 4.049 31.832 ( -1.172 2.218 -3.178) 4.049 32.088 ( -1.042 -3.993 4.046) 5.780 32.088 ( -1.042 3.993 4.046) 5.780 32.839 ( -0.061 -7.410 -4.426) 8.631 32.839 ( -0.061 7.410 -4.426) 8.631 33.596 ( 2.383 -4.859 -0.537) 5.439 33.596 ( 2.383 4.859 -0.537) 5.439 33.935 ( 3.292 -10.423 -2.493) 11.211 33.935 ( 3.292 10.423 -2.493) 11.211 34.956 ( -5.646 -5.036 9.851) 12.421 34.956 ( -5.646 5.036 9.851) 12.421 35.788 ( -1.673 -7.452 -7.281) 10.552 35.788 ( -1.673 7.452 -7.281) 10.552 ======================= Grid point 78 (42/72) ======================= q-point: (-0.43 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 1.611 -11.768 -8.280) 14.479 1.530 ( 1.611 11.768 -8.280) 14.479 1.957 ( 0.822 -5.427 -9.697) 11.143 1.957 ( 0.822 5.427 -9.697) 11.143 2.315 ( -3.573 -4.569 -1.004) 5.887 2.315 ( -3.573 4.569 -1.004) 5.887 2.543 ( -0.336 -2.558 -1.063) 2.790 2.543 ( -0.336 2.558 -1.063) 2.790 2.808 ( -4.517 -10.643 -0.478) 11.571 2.808 ( -4.517 10.643 -0.478) 11.571 2.954 ( -6.824 -7.238 -2.884) 10.357 2.954 ( -6.824 7.238 -2.884) 10.357 3.331 ( 2.982 -10.006 3.630) 11.054 3.331 ( 2.982 10.006 3.630) 11.054 3.387 ( -4.689 -5.092 -4.384) 8.193 3.387 ( -4.689 5.092 -4.384) 8.193 3.560 ( 3.589 -2.335 10.409) 11.255 3.560 ( 3.589 2.335 10.409) 11.255 3.705 ( -8.267 -1.562 3.584) 9.145 3.705 ( -8.267 1.562 3.584) 9.145 3.987 ( -4.257 -4.475 -0.423) 6.191 3.987 ( -4.257 4.475 -0.423) 6.191 4.156 ( 3.325 -2.475 1.017) 4.268 4.156 ( 3.325 2.475 1.017) 4.268 4.379 ( -3.008 -3.675 0.767) 4.810 4.379 ( -3.008 3.675 0.767) 4.810 4.452 ( 3.240 -3.244 -0.635) 4.628 4.452 ( 3.240 3.244 -0.635) 4.628 4.632 ( 1.999 -3.953 -2.738) 5.208 4.632 ( 1.999 3.953 -2.738) 5.208 4.756 ( -3.419 -4.964 1.009) 6.111 4.756 ( -3.419 4.964 1.009) 6.111 4.871 ( 2.194 -1.144 -5.544) 6.071 4.871 ( 2.194 1.144 -5.544) 6.071 5.032 ( -1.680 -6.043 4.173) 7.534 5.032 ( -1.680 6.043 4.173) 7.534 5.274 ( 2.474 -3.021 4.645) 6.069 5.274 ( 2.474 3.021 4.645) 6.069 5.347 ( 3.239 -0.927 3.903) 5.156 5.347 ( 3.239 0.927 3.903) 5.156 5.584 ( 2.829 -4.659 -0.812) 5.511 5.584 ( 2.829 4.659 -0.812) 5.511 5.777 ( -4.198 -1.777 1.805) 4.903 5.777 ( -4.198 1.777 1.805) 4.903 6.119 ( -3.843 -6.089 0.780) 7.242 6.119 ( -3.843 6.089 0.780) 7.242 6.393 ( 2.413 -5.893 2.406) 6.808 6.393 ( 2.413 5.893 2.406) 6.808 7.012 ( -0.714 -5.069 -3.965) 6.475 7.012 ( -0.714 5.069 -3.965) 6.475 7.220 ( -2.078 -2.611 1.688) 3.740 7.220 ( -2.078 2.611 1.688) 3.740 7.532 ( 2.719 -6.615 -3.019) 7.763 7.532 ( 2.719 6.615 -3.019) 7.763 7.684 ( 2.346 -1.646 -0.439) 2.900 7.684 ( 2.346 1.646 -0.439) 2.900 8.683 ( 1.385 -3.419 4.753) 6.017 8.683 ( 1.385 3.419 4.753) 6.017 9.347 ( 2.399 -0.656 -3.778) 4.523 9.347 ( 2.399 0.656 -3.778) 4.523 9.754 ( 2.669 -7.034 -4.081) 8.559 9.754 ( 2.669 7.034 -4.081) 8.559 9.947 ( 0.262 -2.759 -3.092) 4.152 9.947 ( 0.262 2.759 -3.092) 4.152 10.242 ( -1.475 -4.491 2.977) 5.586 10.242 ( -1.475 4.491 2.977) 5.586 10.480 ( 2.920 -3.775 2.218) 5.263 10.480 ( 2.920 3.775 2.218) 5.263 11.516 ( 0.191 -1.259 -2.476) 2.784 11.516 ( 0.191 1.259 -2.476) 2.784 11.821 ( -0.993 -2.356 0.884) 2.706 11.821 ( -0.993 2.356 0.884) 2.706 12.244 ( -0.339 -1.129 0.992) 1.540 12.244 ( -0.339 1.129 0.992) 1.540 12.389 ( 1.470 -1.360 -0.099) 2.005 12.389 ( 1.470 1.360 -0.099) 2.005 13.762 ( 0.452 -1.808 0.734) 2.003 13.762 ( 0.452 1.808 0.734) 2.003 13.860 ( 0.130 -0.956 -1.315) 1.631 13.860 ( 0.130 0.956 -1.315) 1.631 14.720 ( -1.083 -1.062 -0.072) 1.518 14.720 ( -1.083 1.062 -0.072) 1.518 15.090 ( -4.965 -1.495 -0.489) 5.208 15.090 ( -4.965 1.495 -0.489) 5.208 15.218 ( 1.186 -0.918 2.749) 3.132 15.218 ( 1.186 0.918 2.749) 3.132 15.480 ( 1.549 -0.993 -3.613) 4.055 15.480 ( 1.549 0.993 -3.613) 4.055 16.033 ( -4.873 -2.117 0.781) 5.370 16.033 ( -4.873 2.117 0.781) 5.370 16.114 ( 0.095 -2.500 0.395) 2.533 16.114 ( 0.095 2.500 0.395) 2.533 17.023 ( -0.537 -1.760 -0.020) 1.840 17.023 ( -0.537 1.760 -0.020) 1.840 17.124 ( -0.802 -1.345 -1.615) 2.250 17.124 ( -0.802 1.345 -1.615) 2.250 17.502 ( -0.238 -1.759 1.269) 2.182 17.502 ( -0.238 1.759 1.269) 2.182 18.128 ( -2.039 -1.522 1.020) 2.741 18.128 ( -2.039 1.522 1.020) 2.741 20.646 ( 3.467 -0.647 0.245) 3.535 20.646 ( 3.467 0.647 0.245) 3.535 21.009 ( 2.101 -0.786 -0.903) 2.419 21.009 ( 2.101 0.786 -0.903) 2.419 27.193 ( -0.155 -2.381 3.845) 4.526 27.193 ( -0.155 2.381 3.845) 4.526 27.694 ( -3.642 -5.906 -2.913) 7.525 27.694 ( -3.642 5.906 -2.913) 7.525 29.556 ( -0.659 -1.130 0.336) 1.350 29.556 ( -0.659 1.130 0.336) 1.350 29.733 ( -2.468 -2.536 -0.297) 3.551 29.733 ( -2.468 2.536 -0.297) 3.551 30.269 ( 0.129 -0.370 -1.604) 1.652 30.269 ( 0.129 0.370 -1.604) 1.652 30.617 ( 1.777 -1.959 -0.123) 2.647 30.617 ( 1.777 1.959 -0.123) 2.647 31.406 ( -1.978 -3.219 7.715) 8.590 31.406 ( -1.978 3.219 7.715) 8.590 31.721 ( -5.220 -3.103 -6.142) 8.637 31.721 ( -5.220 3.103 -6.142) 8.637 32.122 ( -0.814 -5.020 6.025) 7.885 32.122 ( -0.814 5.020 6.025) 7.885 32.837 ( 4.413 -6.723 -6.356) 10.250 32.837 ( 4.413 6.723 -6.356) 10.250 33.603 ( -1.891 -1.821 0.450) 2.664 33.603 ( -1.891 1.821 0.450) 2.664 33.937 ( -0.639 -9.561 -2.821) 9.989 33.937 ( -0.639 9.561 -2.821) 9.989 34.961 ( -2.091 -7.436 10.194) 12.790 34.961 ( -2.091 7.436 10.194) 12.790 35.786 ( 7.648 -6.159 -7.497) 12.355 35.786 ( 7.648 6.159 -7.497) 12.355 ======================= Grid point 80 (43/72) ======================= q-point: (-0.29 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 1.194 -15.868 -5.120) 16.717 1.511 ( 1.194 15.869 -5.120) 16.717 1.922 ( 2.688 -5.681 -6.171) 8.808 1.922 ( 2.688 5.681 -6.171) 8.808 2.250 ( -3.897 -5.307 0.989) 6.658 2.250 ( -3.897 5.307 0.989) 6.658 2.454 ( -6.332 -4.210 -4.432) 8.801 2.454 ( -6.332 4.210 -4.432) 8.801 2.629 ( -14.072 -1.420 -1.570) 14.230 2.629 ( -14.072 1.420 -1.570) 14.230 2.809 ( -7.238 -8.121 0.419) 10.887 2.809 ( -7.238 8.121 0.419) 10.887 3.220 ( -8.829 -2.669 2.333) 9.514 3.220 ( -8.829 2.669 2.333) 9.514 3.275 ( -3.165 -8.887 -10.769) 14.317 3.275 ( -3.165 8.887 -10.769) 14.317 3.567 ( -7.105 -6.232 10.877) 14.409 3.567 ( -7.105 6.232 10.877) 14.409 3.737 ( -1.463 -2.034 7.002) 7.437 3.737 ( -1.463 2.034 7.002) 7.437 3.938 ( 0.458 -3.915 1.007) 4.069 3.938 ( 0.458 3.915 1.007) 4.069 4.100 ( -2.331 -4.320 -3.267) 5.897 4.100 ( -2.331 4.320 -3.267) 5.897 4.358 ( -1.385 -8.823 -2.973) 9.413 4.358 ( -1.385 8.823 -2.973) 9.413 4.494 ( -0.076 -3.479 3.582) 4.994 4.494 ( -0.076 3.479 3.582) 4.994 4.669 ( 5.052 -1.264 -2.716) 5.873 4.669 ( 5.052 1.264 -2.716) 5.873 4.766 ( 0.372 -4.931 5.928) 7.720 4.766 ( 0.372 4.931 5.928) 7.720 4.907 ( 6.103 -1.558 -6.734) 9.221 4.907 ( 6.103 1.558 -6.734) 9.221 5.081 ( 2.515 -7.765 5.650) 9.927 5.081 ( 2.515 7.765 5.650) 9.927 5.312 ( 0.708 -6.673 -0.435) 6.724 5.312 ( 0.708 6.673 -0.435) 6.724 5.432 ( -0.166 -1.244 3.448) 3.669 5.432 ( -0.166 1.244 3.448) 3.669 5.623 ( -1.356 -1.877 3.148) 3.908 5.623 ( -1.356 1.877 3.148) 3.908 5.732 ( -1.115 -0.863 -0.149) 1.418 5.732 ( -1.115 0.863 -0.149) 1.418 6.064 ( -0.099 -4.444 1.092) 4.577 6.064 ( -0.099 4.444 1.092) 4.577 6.483 ( 4.516 -4.488 1.351) 6.508 6.483 ( 4.516 4.488 1.351) 6.508 6.940 ( -2.624 -4.509 -4.018) 6.585 6.940 ( -2.624 4.509 -4.018) 6.585 7.202 ( -1.491 -2.315 2.480) 3.705 7.202 ( -1.491 2.315 2.480) 3.705 7.609 ( 4.703 -4.072 0.973) 6.297 7.609 ( 4.703 4.072 0.973) 6.297 7.723 ( 3.613 -0.802 -2.855) 4.674 7.723 ( 3.613 0.802 -2.855) 4.674 8.761 ( 2.621 -5.441 3.704) 7.084 8.761 ( 2.621 5.441 3.704) 7.084 9.379 ( 3.618 -2.894 -2.509) 5.269 9.379 ( 3.618 2.894 -2.509) 5.269 9.788 ( 4.504 -7.023 -5.671) 10.088 9.788 ( 4.504 7.023 -5.671) 10.088 9.941 ( 0.947 -1.277 -2.050) 2.594 9.941 ( 0.947 1.277 -2.050) 2.594 10.246 ( -0.467 -5.081 3.338) 6.097 10.246 ( -0.467 5.081 3.338) 6.097 10.565 ( 5.051 -2.136 0.392) 5.498 10.565 ( 5.051 2.136 0.392) 5.498 11.495 ( -0.566 -1.825 -2.259) 2.958 11.495 ( -0.566 1.825 -2.259) 2.958 11.793 ( -2.467 -1.821 0.559) 3.117 11.793 ( -2.467 1.821 0.559) 3.117 12.244 ( 0.116 -1.212 0.739) 1.424 12.244 ( 0.116 1.212 0.739) 1.424 12.432 ( 2.558 -0.254 -0.161) 2.576 12.432 ( 2.558 0.254 -0.161) 2.576 13.783 ( 1.049 -0.865 0.403) 1.418 13.783 ( 1.049 0.865 0.403) 1.418 13.852 ( 0.045 -1.469 -0.681) 1.620 13.852 ( 0.045 1.469 -0.681) 1.620 14.699 ( -1.468 -1.989 0.631) 2.551 14.699 ( -1.468 1.989 0.631) 2.551 14.962 ( -6.984 -1.076 -0.529) 7.086 14.962 ( -6.984 1.076 -0.529) 7.086 15.209 ( -4.397 -1.121 1.344) 4.732 15.209 ( -4.397 1.121 1.344) 4.732 15.457 ( -1.197 -0.868 -4.362) 4.606 15.457 ( -1.197 0.868 -4.362) 4.606 15.932 ( -5.263 -2.087 0.768) 5.714 15.932 ( -5.263 2.087 0.768) 5.714 16.100 ( -2.170 -1.572 0.985) 2.855 16.100 ( -2.170 1.572 0.985) 2.855 16.990 ( -3.371 -2.072 0.649) 4.010 16.990 ( -3.371 2.072 0.649) 4.010 17.112 ( 0.549 -1.680 -0.894) 1.981 17.112 ( 0.549 1.680 -0.894) 1.981 17.479 ( -2.664 -2.433 0.061) 3.608 17.479 ( -2.664 2.433 0.061) 3.608 18.068 ( -3.805 -1.603 0.744) 4.196 18.068 ( -3.805 1.603 0.744) 4.196 20.779 ( 9.203 -1.357 0.851) 9.341 20.779 ( 9.203 1.357 0.851) 9.341 21.060 ( 3.846 -1.045 -1.151) 4.148 21.060 ( 3.846 1.045 -1.151) 4.148 27.188 ( -3.054 -2.860 2.055) 4.661 27.188 ( -3.054 2.860 2.055) 4.661 27.543 ( -9.384 -3.417 -2.167) 10.219 27.543 ( -9.384 3.417 -2.167) 10.219 29.526 ( -2.532 -0.503 -0.103) 2.584 29.526 ( -2.532 0.503 -0.103) 2.584 29.665 ( -4.060 -0.998 0.122) 4.183 29.665 ( -4.060 0.998 0.122) 4.183 30.259 ( 0.117 -1.132 -1.482) 1.869 30.259 ( 0.117 1.132 -1.482) 1.869 30.657 ( 2.407 -1.455 -0.477) 2.853 30.657 ( 2.407 1.455 -0.477) 2.853 31.419 ( -3.430 -2.180 8.148) 9.105 31.419 ( -3.430 2.180 8.148) 9.105 31.590 ( -3.594 -1.819 -3.301) 5.208 31.590 ( -3.594 1.819 -3.301) 5.208 32.126 ( -3.039 -6.548 4.784) 8.660 32.126 ( -3.039 6.548 4.784) 8.660 32.903 ( 7.108 -7.157 -6.298) 11.892 32.903 ( 7.108 7.157 -6.298) 11.892 33.540 ( -4.476 -1.369 0.360) 4.694 33.540 ( -4.476 1.369 0.360) 4.694 33.883 ( -2.446 -7.109 -2.675) 7.979 33.883 ( -2.446 7.109 -2.675) 7.979 35.022 ( 0.241 -9.468 9.062) 13.108 35.022 ( 0.241 9.468 9.062) 13.108 35.947 ( 14.066 -3.577 -6.827) 16.039 35.947 ( 14.066 3.577 -6.827) 16.039 ======================= Grid point 82 (44/72) ======================= q-point: (-0.14 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -2.593 -14.718 -1.588) 15.029 1.473 ( -2.593 14.718 -1.588) 15.029 1.971 ( 2.577 -4.450 0.103) 5.144 1.971 ( 2.577 4.450 0.103) 5.144 2.075 ( -7.271 -14.088 -8.565) 18.019 2.075 ( -7.271 14.088 -8.565) 18.019 2.313 ( -6.757 -2.011 2.834) 7.598 2.313 ( -6.757 2.011 2.834) 7.598 2.400 ( -7.265 -6.856 0.446) 9.999 2.400 ( -7.265 6.856 0.446) 9.999 2.687 ( -5.394 -16.603 0.635) 17.469 2.687 ( -5.394 16.603 0.635) 17.469 3.114 ( -4.196 -8.077 -8.966) 12.777 3.114 ( -4.196 8.077 -8.966) 12.777 3.149 ( -2.031 -5.242 1.737) 5.884 3.149 ( -2.031 5.242 1.737) 5.884 3.526 ( -3.972 -6.348 4.204) 8.588 3.526 ( -3.972 6.348 4.204) 8.588 3.670 ( -4.069 -3.345 2.842) 5.985 3.670 ( -4.069 3.345 2.842) 5.985 3.963 ( -0.065 -1.358 2.880) 3.185 3.963 ( -0.065 1.358 2.880) 3.185 4.141 ( 4.402 -5.577 -0.397) 7.116 4.141 ( 4.402 5.577 -0.397) 7.116 4.278 ( -3.514 -8.633 -1.479) 9.437 4.278 ( -3.514 8.633 -1.479) 9.437 4.560 ( 2.702 -6.219 6.030) 9.074 4.560 ( 2.702 6.219 6.030) 9.074 4.705 ( -1.988 -1.982 -4.206) 5.057 4.705 ( -1.988 1.982 -4.206) 5.057 4.819 ( 2.176 -4.081 6.292) 7.809 4.819 ( 2.176 4.081 6.292) 7.809 4.951 ( 3.933 -3.970 -6.743) 8.758 4.951 ( 3.933 3.970 -6.743) 8.758 5.183 ( 3.218 -4.928 0.519) 5.908 5.183 ( 3.218 4.928 0.519) 5.908 5.275 ( -2.531 -5.787 -2.667) 6.856 5.275 ( -2.531 5.787 -2.667) 6.856 5.420 ( -0.704 -2.100 -0.683) 2.318 5.420 ( -0.704 2.100 -0.683) 2.318 5.630 ( -0.950 -4.608 7.396) 8.766 5.630 ( -0.950 4.608 7.396) 8.766 5.698 ( -4.386 -2.998 7.381) 9.094 5.698 ( -4.386 2.998 7.381) 9.094 6.138 ( 4.416 -4.302 0.442) 6.181 6.138 ( 4.416 4.302 0.442) 6.181 6.561 ( 3.279 -2.581 -0.751) 4.240 6.561 ( 3.279 2.581 -0.751) 4.240 6.892 ( 0.325 -2.381 -1.008) 2.606 6.892 ( 0.325 2.381 -1.008) 2.606 7.193 ( -1.618 -0.726 2.560) 3.114 7.193 ( -1.618 0.726 2.560) 3.114 7.673 ( 0.109 -3.955 2.674) 4.776 7.673 ( 0.109 3.955 2.674) 4.776 7.781 ( 5.239 -1.777 -5.890) 8.081 7.781 ( 5.239 1.777 -5.890) 8.081 8.820 ( 0.940 -5.957 2.379) 6.483 8.820 ( 0.940 5.957 2.379) 6.483 9.433 ( 2.811 -3.640 -1.309) 4.782 9.433 ( 2.811 3.640 -1.309) 4.782 9.821 ( 3.679 -5.036 -6.743) 9.184 9.821 ( 3.679 5.036 -6.743) 9.184 9.950 ( 2.030 -1.514 -2.401) 3.490 9.950 ( 2.030 1.514 -2.401) 3.490 10.274 ( 0.031 -3.866 4.389) 5.849 10.274 ( 0.031 3.866 4.389) 5.849 10.670 ( 6.247 -1.196 -2.975) 7.022 10.670 ( 6.247 1.196 -2.975) 7.022 11.462 ( -1.488 -1.791 -0.715) 2.435 11.462 ( -1.488 1.791 -0.715) 2.435 11.743 ( -2.488 -0.744 -0.645) 2.676 11.743 ( -2.488 0.744 -0.645) 2.676 12.263 ( 1.303 -0.838 -0.286) 1.576 12.263 ( 1.303 0.838 -0.286) 1.576 12.472 ( 1.562 -0.233 0.198) 1.591 12.472 ( 1.562 0.233 0.198) 1.591 13.801 ( 0.766 -1.144 -0.039) 1.378 13.801 ( 0.766 1.144 -0.039) 1.378 13.851 ( -0.276 -1.240 0.221) 1.289 13.851 ( -0.276 1.240 0.221) 1.289 14.671 ( -1.636 -1.957 0.470) 2.594 14.671 ( -1.636 1.957 0.470) 2.594 14.853 ( -3.555 -2.133 -0.511) 4.177 14.853 ( -3.555 2.133 -0.511) 4.177 15.069 ( -9.251 -3.314 -0.077) 9.827 15.069 ( -9.251 3.314 -0.077) 9.827 15.389 ( -1.850 -0.505 -3.170) 3.705 15.389 ( -1.850 0.505 -3.170) 3.705 15.883 ( -0.612 -2.392 1.311) 2.796 15.883 ( -0.612 2.392 1.311) 2.796 16.048 ( -3.868 -1.222 1.021) 4.183 16.048 ( -3.868 1.222 1.021) 4.183 16.914 ( -4.616 -3.142 1.284) 5.729 16.914 ( -4.616 3.142 1.284) 5.729 17.124 ( 1.008 -1.128 -0.849) 1.734 17.124 ( 1.008 1.128 -0.849) 1.734 17.423 ( -2.193 -1.986 -0.502) 3.001 17.423 ( -2.193 1.986 -0.502) 3.001 18.023 ( -1.362 -1.726 0.403) 2.235 18.023 ( -1.362 1.726 0.403) 2.235 20.959 ( 7.462 -1.636 1.214) 7.735 20.959 ( 7.462 1.636 1.214) 7.735 21.123 ( 3.429 -1.862 -1.378) 4.138 21.123 ( 3.429 1.862 -1.378) 4.138 27.121 ( -3.325 -3.728 -0.656) 5.039 27.121 ( -3.325 3.728 -0.656) 5.039 27.351 ( -8.822 -5.877 0.049) 10.601 27.351 ( -8.822 5.877 0.049) 10.601 29.473 ( -2.239 -0.314 -0.371) 2.291 29.473 ( -2.239 0.314 -0.371) 2.291 29.599 ( -2.871 -0.270 0.520) 2.930 29.599 ( -2.871 0.270 0.520) 2.930 30.252 ( 0.319 -1.365 -1.367) 1.958 30.252 ( 0.319 1.365 -1.367) 1.958 30.691 ( 1.587 -0.882 -1.112) 2.129 30.691 ( 1.587 0.882 -1.112) 2.129 31.395 ( -4.038 -0.187 5.163) 6.557 31.395 ( -4.038 0.187 5.163) 6.557 31.556 ( -0.485 -2.399 3.762) 4.488 31.556 ( -0.485 2.399 3.762) 4.488 32.099 ( -2.680 -7.737 3.732) 8.999 32.099 ( -2.680 7.737 3.732) 8.999 32.985 ( 5.366 -8.746 -4.580) 11.237 32.985 ( 5.366 8.746 -4.580) 11.237 33.462 ( -3.132 -3.359 -0.607) 4.632 33.462 ( -3.132 3.359 -0.607) 4.632 33.817 ( -1.795 -4.255 -3.212) 5.625 33.817 ( -1.795 4.255 -3.212) 5.625 35.093 ( -0.187 -9.098 8.098) 12.181 35.093 ( -0.187 9.098 8.098) 12.181 36.157 ( 12.050 -4.066 -7.084) 14.557 36.157 ( 12.050 4.066 -7.084) 14.557 ======================= Grid point 98 (45/72) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 1.432 0.000 24.121) 24.164 1.512 ( 5.745 0.000 12.777) 14.009 1.729 ( -1.918 0.000 -1.391) 2.369 1.835 ( 0.701 0.000 14.293) 14.310 2.041 ( 2.062 0.000 -3.414) 3.988 2.079 ( -6.053 0.000 -10.587) 12.195 2.352 ( 3.131 0.000 2.516) 4.017 2.370 ( -5.043 0.000 4.081) 6.488 2.436 ( -2.916 0.000 10.823) 11.209 2.518 ( -0.015 0.000 0.703) 0.703 2.685 ( 0.480 0.000 18.682) 18.688 2.965 ( 2.836 0.000 -2.358) 3.689 3.010 ( -3.640 0.000 -8.031) 8.817 3.096 ( 2.194 0.000 13.182) 13.364 3.101 ( -6.131 0.000 -8.567) 10.535 3.437 ( -6.898 0.000 12.226) 14.038 3.438 ( 12.134 0.000 5.093) 13.159 3.532 ( 4.098 0.000 -5.536) 6.888 3.665 ( -7.728 0.000 -5.829) 9.680 3.749 ( 2.386 0.000 -24.032) 24.151 3.826 ( -4.179 0.000 -2.117) 4.684 3.950 ( 5.867 0.000 -4.984) 7.698 4.174 ( 0.075 0.000 5.819) 5.820 4.182 ( 2.232 0.000 2.367) 3.253 4.239 ( -1.156 0.000 -0.415) 1.228 4.265 ( 3.894 0.000 -2.491) 4.623 4.284 ( -11.302 0.000 4.947) 12.337 4.484 ( -1.572 0.000 4.352) 4.627 4.557 ( 8.579 0.000 -8.237) 11.894 4.672 ( 5.478 0.000 3.288) 6.389 4.725 ( -10.896 0.000 -8.493) 13.815 4.813 ( -1.244 0.000 -5.996) 6.124 4.858 ( 0.203 0.000 4.109) 4.114 4.955 ( 1.354 0.000 2.918) 3.217 5.007 ( -0.374 0.000 -2.581) 2.608 5.017 ( 8.773 0.000 -4.252) 9.749 5.068 ( 4.368 0.000 6.076) 7.483 5.211 ( -1.160 0.000 -3.021) 3.236 5.285 ( 5.486 0.000 -2.689) 6.109 5.363 ( -5.270 0.000 -7.042) 8.795 5.424 ( -4.646 0.000 -2.735) 5.391 5.539 ( 4.430 0.000 -8.804) 9.856 5.759 ( 4.677 0.000 5.726) 7.394 5.841 ( -4.943 0.000 -0.638) 4.984 6.273 ( 1.313 0.000 2.796) 3.089 6.354 ( 0.646 0.000 -3.114) 3.180 6.627 ( -1.812 0.000 4.038) 4.426 6.635 ( -2.093 0.000 3.453) 4.038 7.085 ( -0.607 0.000 1.066) 1.227 7.149 ( 0.445 0.000 -4.514) 4.536 7.261 ( -2.324 0.000 4.132) 4.741 7.327 ( -0.239 0.000 -1.914) 1.929 7.465 ( -4.160 0.000 5.220) 6.675 7.565 ( 6.817 0.000 -3.651) 7.733 8.038 ( 3.163 0.000 2.592) 4.089 8.056 ( -4.151 0.000 1.506) 4.416 8.856 ( -4.891 0.000 12.458) 13.383 9.083 ( 4.678 0.000 -7.131) 8.529 9.397 ( -5.365 0.000 4.246) 6.842 9.468 ( 1.363 0.000 -1.961) 2.388 9.770 ( -2.140 0.000 0.106) 2.143 9.795 ( 0.540 0.000 -1.042) 1.174 9.883 ( -1.293 0.000 2.636) 2.936 9.970 ( 4.234 0.000 -4.567) 6.228 10.495 ( -2.794 0.000 -0.012) 2.794 10.532 ( -1.560 0.000 -1.581) 2.221 10.676 ( 8.063 0.000 0.108) 8.063 10.707 ( -1.735 0.000 -2.200) 2.802 11.466 ( 4.768 0.000 3.773) 6.080 11.569 ( -1.318 0.000 3.520) 3.759 11.588 ( -8.385 0.000 -6.831) 10.815 11.653 ( 3.383 0.000 -4.261) 5.441 12.267 ( -0.702 0.000 2.050) 2.167 12.310 ( 0.682 0.000 -1.861) 1.982 12.593 ( -1.156 0.000 0.323) 1.200 12.594 ( 1.327 0.000 0.464) 1.405 13.744 ( -1.953 0.000 0.618) 2.048 13.746 ( 1.055 0.000 0.278) 1.091 13.802 ( 1.551 0.000 -0.761) 1.728 13.810 ( -0.646 0.000 -1.384) 1.527 14.697 ( -4.846 0.000 0.212) 4.850 14.708 ( 4.253 0.000 -0.802) 4.328 14.737 ( 4.209 0.000 0.609) 4.253 14.746 ( -4.669 0.000 -0.205) 4.673 15.132 ( 0.786 0.000 3.041) 3.141 15.198 ( 0.261 0.000 -2.775) 2.787 15.269 ( -5.605 0.000 3.836) 6.792 15.360 ( 7.156 0.000 -4.292) 8.344 15.821 ( 3.020 0.000 0.214) 3.027 15.844 ( -1.427 0.000 -2.002) 2.458 16.065 ( 1.852 0.000 2.816) 3.370 16.102 ( -1.690 0.000 -0.303) 1.717 16.859 ( -1.743 0.000 5.382) 5.658 16.881 ( 2.714 0.000 0.047) 2.714 16.899 ( -2.073 0.000 1.572) 2.602 17.026 ( -0.766 0.000 -6.301) 6.347 17.548 ( -2.914 0.000 1.013) 3.085 17.575 ( 2.453 0.000 -1.445) 2.847 17.725 ( -0.457 0.000 1.398) 1.471 17.754 ( -0.080 0.000 -1.188) 1.191 20.887 ( 0.440 0.000 1.075) 1.162 20.912 ( -0.488 0.000 -1.226) 1.320 21.206 ( -2.090 0.000 2.633) 3.362 21.257 ( 1.664 0.000 -1.869) 2.502 26.914 ( 3.783 0.000 0.433) 3.807 26.932 ( -2.524 0.000 -1.174) 2.784 27.459 ( 10.432 0.000 1.722) 10.573 27.485 ( -10.405 0.000 -0.590) 10.422 29.401 ( 0.726 0.000 -0.013) 0.726 29.406 ( -0.648 0.000 -0.416) 0.770 29.567 ( -1.486 0.000 0.601) 1.603 29.574 ( 1.820 0.000 -0.054) 1.821 30.023 ( -1.316 0.000 2.478) 2.806 30.082 ( 1.585 0.000 -2.763) 3.186 30.640 ( -1.522 0.000 1.266) 1.980 30.665 ( 1.654 0.000 -0.976) 1.920 31.315 ( -3.759 0.000 0.880) 3.861 31.348 ( 2.326 0.000 -2.250) 3.236 31.569 ( -3.635 0.000 12.939) 13.440 31.736 ( 2.064 0.000 -0.840) 2.228 31.899 ( -0.490 0.000 7.398) 7.414 32.114 ( 2.278 0.000 -12.941) 13.140 32.933 ( 7.521 0.000 8.198) 11.125 33.048 ( -6.888 0.000 -2.910) 7.477 33.405 ( 1.091 0.000 -1.402) 1.776 33.530 ( -3.846 0.000 -12.385) 12.969 33.886 ( -4.109 0.000 2.362) 4.740 33.923 ( 8.695 0.000 -1.174) 8.774 35.230 ( 1.880 0.000 18.891) 18.985 35.614 ( -0.382 0.000 -15.798) 15.803 36.201 ( 8.567 0.000 1.104) 8.637 36.226 ( -12.693 0.000 -1.204) 12.750 ======================= Grid point 99 (46/72) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 17.416 0.000 13.357) 21.948 1.664 ( 14.491 0.000 -20.065) 24.750 1.866 ( 0.383 0.000 17.930) 17.934 1.975 ( 2.898 0.000 -11.839) 12.188 2.025 ( 8.999 0.000 -2.807) 9.426 2.084 ( 8.217 0.000 10.121) 13.037 2.319 ( 0.786 0.000 1.104) 1.355 2.451 ( 2.974 0.000 6.834) 7.453 2.535 ( 3.570 0.000 5.885) 6.883 2.551 ( 4.952 0.000 -1.512) 5.178 2.845 ( -1.066 0.000 20.202) 20.230 2.895 ( -0.681 0.000 -12.277) 12.296 2.971 ( 1.432 0.000 -7.197) 7.338 3.066 ( 1.690 0.000 11.630) 11.752 3.310 ( 6.373 0.000 8.225) 10.405 3.381 ( -0.626 0.000 5.540) 5.575 3.439 ( -7.172 0.000 -1.457) 7.319 3.447 ( 1.976 0.000 -23.916) 23.997 3.535 ( -4.725 0.000 3.192) 5.702 3.820 ( -0.320 0.000 3.508) 3.523 3.861 ( 13.116 0.000 1.252) 13.176 3.938 ( -0.117 0.000 -12.419) 12.420 4.127 ( -2.445 0.000 -0.050) 2.446 4.161 ( -6.197 0.000 -6.704) 9.129 4.172 ( -1.659 0.000 0.667) 1.788 4.248 ( 3.244 0.000 2.398) 4.034 4.331 ( 0.601 0.000 6.427) 6.455 4.529 ( -1.536 0.000 1.069) 1.872 4.547 ( 4.382 0.000 2.476) 5.034 4.670 ( 0.326 0.000 3.046) 3.063 4.749 ( 0.821 0.000 -8.907) 8.945 4.793 ( 2.658 0.000 2.802) 3.862 4.879 ( -0.890 0.000 -4.217) 4.310 4.946 ( -4.178 0.000 -2.534) 4.887 4.974 ( 1.039 0.000 6.201) 6.288 5.095 ( 3.965 0.000 -5.681) 6.928 5.168 ( 0.980 0.000 -5.068) 5.161 5.198 ( 10.290 0.000 -13.932) 17.321 5.283 ( 3.693 0.000 4.886) 6.124 5.284 ( -7.146 0.000 1.126) 7.234 5.495 ( 8.966 0.000 4.011) 9.822 5.557 ( 2.542 0.000 -5.721) 6.260 5.719 ( -6.273 0.000 -4.234) 7.568 5.859 ( 1.785 0.000 3.274) 3.729 6.277 ( -3.921 0.000 3.888) 5.522 6.323 ( 0.251 0.000 -6.327) 6.332 6.603 ( -4.805 0.000 4.294) 6.444 6.621 ( -1.386 0.000 4.027) 4.259 7.090 ( -0.756 0.000 2.292) 2.413 7.127 ( 0.674 0.000 -3.581) 3.644 7.241 ( -3.290 0.000 6.206) 7.024 7.314 ( 0.225 0.000 -0.781) 0.813 7.405 ( -5.936 0.000 3.152) 6.721 7.651 ( 5.736 0.000 -6.066) 8.348 7.880 ( -12.744 0.000 1.875) 12.881 8.002 ( -8.283 0.000 0.968) 8.339 8.847 ( -4.855 0.000 11.456) 12.443 9.096 ( 2.976 0.000 -9.411) 9.870 9.254 ( -12.511 0.000 8.667) 15.219 9.454 ( -0.747 0.000 -1.559) 1.728 9.725 ( -4.857 0.000 3.574) 6.030 9.826 ( 3.075 0.000 -0.662) 3.146 9.937 ( 5.190 0.000 0.230) 5.195 10.017 ( 3.122 0.000 -4.164) 5.205 10.344 ( -12.244 0.000 -0.461) 12.253 10.486 ( -2.344 0.000 0.415) 2.380 10.594 ( -5.107 0.000 -3.060) 5.953 10.639 ( -8.965 0.000 -1.734) 9.131 11.483 ( 1.779 0.000 -3.976) 4.356 11.544 ( 0.492 0.000 4.244) 4.272 11.670 ( 5.742 0.000 3.823) 6.898 11.702 ( 4.845 0.000 -4.585) 6.671 12.274 ( 0.084 0.000 2.159) 2.161 12.298 ( -0.379 0.000 -1.561) 1.607 12.546 ( -3.538 0.000 -0.174) 3.542 12.587 ( -1.966 0.000 0.392) 2.004 13.719 ( -0.755 0.000 -0.125) 0.765 13.756 ( -0.862 0.000 1.811) 2.006 13.815 ( 2.354 0.000 -2.505) 3.437 13.847 ( 2.961 0.000 0.174) 2.966 14.673 ( 1.409 0.000 -0.275) 1.435 14.695 ( 0.641 0.000 0.402) 0.756 14.869 ( 10.390 0.000 1.594) 10.511 14.876 ( 7.525 0.000 0.021) 7.525 15.183 ( 1.927 0.000 2.475) 3.137 15.206 ( 3.247 0.000 -4.225) 5.329 15.215 ( -2.309 0.000 2.832) 3.654 15.436 ( 4.097 0.000 -4.523) 6.102 15.854 ( 3.389 0.000 -1.577) 3.738 15.938 ( 8.106 0.000 -0.797) 8.145 16.101 ( 2.170 0.000 -0.926) 2.360 16.171 ( 7.262 0.000 0.184) 7.264 16.811 ( -2.819 0.000 0.881) 2.953 16.922 ( 0.645 0.000 0.305) 0.713 16.953 ( 1.506 0.000 6.138) 6.320 16.967 ( 0.182 0.000 -5.233) 5.236 17.561 ( 2.797 0.000 0.235) 2.807 17.645 ( 3.672 0.000 -0.069) 3.672 17.735 ( -0.879 0.000 -0.955) 1.298 17.737 ( 2.284 0.000 2.126) 3.120 20.863 ( -3.684 0.000 -1.128) 3.853 20.874 ( -2.499 0.000 1.099) 2.730 21.131 ( -6.575 0.000 3.051) 7.249 21.204 ( -5.188 0.000 -2.578) 5.793 26.972 ( 7.171 0.000 1.983) 7.440 27.090 ( 12.718 0.000 -4.167) 13.383 27.334 ( -4.528 0.000 -0.738) 4.588 27.739 ( 16.667 0.000 0.441) 16.673 29.409 ( 1.281 0.000 -0.282) 1.312 29.433 ( 2.369 0.000 0.016) 2.369 29.586 ( 2.916 0.000 0.708) 3.001 29.657 ( 6.863 0.000 -1.206) 6.968 30.014 ( -1.552 0.000 2.287) 2.764 30.088 ( 1.372 0.000 -2.816) 3.132 30.609 ( -2.422 0.000 0.946) 2.600 30.676 ( 0.361 0.000 -1.113) 1.170 31.270 ( -2.352 0.000 2.607) 3.511 31.398 ( 3.982 0.000 -0.544) 4.019 31.605 ( -2.874 0.000 12.160) 12.495 31.761 ( 2.742 0.000 -4.984) 5.688 31.925 ( -2.154 0.000 5.131) 5.565 32.048 ( 0.892 0.000 -11.012) 11.048 32.894 ( -6.176 0.000 -5.126) 8.026 33.152 ( 9.032 0.000 6.792) 11.300 33.391 ( -3.213 0.000 -2.882) 4.316 33.408 ( -2.374 0.000 0.643) 2.460 33.829 ( -1.850 0.000 0.605) 1.946 34.029 ( 5.242 0.000 -4.980) 7.230 35.378 ( -0.629 0.000 15.707) 15.720 35.459 ( -1.969 0.000 -17.116) 17.229 35.891 ( -21.267 0.000 5.376) 21.936 36.278 ( -1.853 0.000 1.175) 2.194 ======================= Grid point 100 (47/72) ======================= q-point: ( 0.29 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 5.718 0.000 -19.280) 20.110 1.758 ( 4.711 0.000 -8.927) 10.094 1.890 ( -0.054 0.000 2.186) 2.187 2.079 ( 10.188 0.000 1.214) 10.260 2.244 ( 1.986 0.000 8.945) 9.163 2.251 ( 6.098 0.000 3.587) 7.074 2.393 ( 2.078 0.000 4.939) 5.359 2.541 ( 0.996 0.000 2.913) 3.078 2.618 ( 0.650 0.000 -4.852) 4.896 2.750 ( 13.140 0.000 9.210) 16.046 2.879 ( 6.849 0.000 -4.180) 8.024 2.898 ( -9.569 0.000 19.759) 21.954 3.055 ( 12.150 0.000 -3.626) 12.679 3.109 ( 5.731 0.000 -2.525) 6.263 3.301 ( -1.968 0.000 -14.156) 14.292 3.358 ( -0.584 0.000 4.661) 4.698 3.425 ( -7.801 0.000 2.036) 8.063 3.478 ( 4.086 0.000 11.848) 12.532 3.624 ( 11.792 0.000 2.564) 12.067 3.775 ( 0.455 0.000 -17.403) 17.408 3.870 ( 3.947 0.000 4.032) 5.642 4.015 ( 2.313 0.000 -4.883) 5.403 4.020 ( -2.789 0.000 -4.870) 5.612 4.156 ( 5.707 0.000 -2.569) 6.258 4.264 ( 6.785 0.000 1.477) 6.944 4.307 ( 0.818 0.000 -3.507) 3.601 4.375 ( 6.458 0.000 4.776) 8.032 4.534 ( -9.157 0.000 -1.137) 9.228 4.645 ( 1.568 0.000 6.649) 6.832 4.652 ( 3.799 0.000 -0.234) 3.806 4.762 ( 2.774 0.000 -4.957) 5.680 4.788 ( -1.030 0.000 7.905) 7.972 4.824 ( 0.630 0.000 -8.805) 8.828 4.846 ( -3.887 0.000 2.907) 4.854 5.052 ( -6.876 0.000 -1.830) 7.115 5.066 ( 3.539 0.000 6.687) 7.566 5.105 ( -2.672 0.000 -9.991) 10.342 5.216 ( 3.465 0.000 -2.651) 4.363 5.380 ( 2.947 0.000 2.058) 3.595 5.415 ( 13.007 0.000 -4.161) 13.656 5.534 ( -6.686 0.000 -4.739) 8.195 5.569 ( 1.300 0.000 -2.645) 2.947 5.641 ( 3.532 0.000 2.188) 4.155 5.833 ( -7.262 0.000 1.511) 7.418 6.187 ( -7.980 0.000 3.618) 8.762 6.259 ( -2.670 0.000 -6.874) 7.375 6.552 ( -1.304 0.000 2.938) 3.214 6.643 ( -0.620 0.000 5.030) 5.068 7.082 ( -2.352 0.000 5.063) 5.583 7.120 ( 0.536 0.000 -1.389) 1.489 7.254 ( -3.120 0.000 8.744) 9.284 7.315 ( -3.482 0.000 3.498) 4.936 7.334 ( 2.094 0.000 0.146) 2.099 7.658 ( -1.184 0.000 -8.406) 8.488 7.686 ( -8.761 0.000 1.927) 8.971 7.814 ( -6.453 0.000 -3.188) 7.197 8.869 ( -1.791 0.000 11.031) 11.176 9.059 ( 2.352 0.000 -11.256) 11.499 9.092 ( -12.099 0.000 9.665) 15.485 9.410 ( -2.682 0.000 -3.593) 4.484 9.664 ( -5.237 0.000 6.797) 8.581 9.861 ( 0.240 0.000 -0.141) 0.278 10.018 ( 1.891 0.000 -7.302) 7.543 10.027 ( 3.132 0.000 0.199) 3.138 10.121 ( -7.767 0.000 -0.952) 7.825 10.402 ( -7.900 0.000 -7.778) 11.087 10.478 ( -1.975 0.000 2.349) 3.069 10.511 ( -2.920 0.000 1.075) 3.111 11.527 ( 4.232 0.000 -2.300) 4.817 11.592 ( 1.008 0.000 3.771) 3.903 11.742 ( 0.232 0.000 0.230) 0.327 11.749 ( 3.257 0.000 -3.857) 5.048 12.285 ( 0.344 0.000 -0.968) 1.027 12.305 ( 0.986 0.000 2.064) 2.288 12.476 ( -3.301 0.000 0.343) 3.318 12.541 ( -2.935 0.000 0.575) 2.991 13.716 ( 0.786 0.000 -0.724) 1.069 13.745 ( -1.525 0.000 1.637) 2.237 13.850 ( 3.012 0.000 -1.911) 3.567 13.898 ( 1.737 0.000 0.465) 1.798 14.712 ( 2.605 0.000 -0.670) 2.690 14.735 ( 1.842 0.000 1.003) 2.098 14.998 ( 5.170 0.000 0.655) 5.211 15.075 ( 6.797 0.000 4.903) 8.381 15.196 ( -0.310 0.000 0.790) 0.848 15.249 ( 4.785 0.000 -5.007) 6.925 15.266 ( 3.351 0.000 3.306) 4.707 15.455 ( 1.797 0.000 -3.869) 4.266 15.926 ( 4.407 0.000 0.114) 4.409 16.067 ( 4.941 0.000 -0.011) 4.941 16.159 ( 4.238 0.000 -0.915) 4.336 16.291 ( 4.567 0.000 -1.415) 4.781 16.787 ( 0.062 0.000 -0.229) 0.237 16.890 ( -1.485 0.000 -2.620) 3.012 16.981 ( 2.328 0.000 -0.631) 2.411 17.017 ( 0.930 0.000 3.724) 3.838 17.626 ( 2.947 0.000 -1.558) 3.334 17.648 ( -2.251 0.000 1.287) 2.593 17.732 ( 2.232 0.000 1.274) 2.570 17.881 ( 7.263 0.000 3.607) 8.109 20.770 ( -4.672 0.000 -0.839) 4.746 20.815 ( -4.423 0.000 0.608) 4.465 21.046 ( -4.245 0.000 2.704) 5.033 21.066 ( -5.263 0.000 -2.876) 5.997 27.185 ( 5.765 0.000 7.935) 9.808 27.272 ( 10.330 0.000 -6.626) 12.273 27.332 ( 5.551 0.000 6.066) 8.223 28.030 ( 14.267 0.000 -4.585) 14.986 29.444 ( 2.107 0.000 0.120) 2.110 29.481 ( 2.585 0.000 -0.472) 2.628 29.677 ( 4.875 0.000 2.190) 5.345 29.792 ( 8.148 0.000 -2.441) 8.506 30.002 ( -1.401 0.000 2.270) 2.667 30.091 ( 1.239 0.000 -3.011) 3.256 30.571 ( -2.129 0.000 1.037) 2.368 30.661 ( -0.830 0.000 -1.586) 1.790 31.264 ( -1.385 0.000 4.770) 4.967 31.484 ( 4.666 0.000 0.839) 4.741 31.647 ( -1.559 0.000 9.801) 9.924 31.742 ( 0.734 0.000 -9.862) 9.890 31.900 ( -4.515 0.000 6.024) 7.528 32.011 ( 3.487 0.000 -6.778) 7.623 32.727 ( -6.736 0.000 -6.235) 9.179 33.242 ( -12.194 0.000 -5.056) 13.200 33.364 ( 9.007 0.000 -0.373) 9.015 33.373 ( 0.223 0.000 4.291) 4.297 33.869 ( 2.991 0.000 5.266) 6.056 34.065 ( 3.019 0.000 -4.794) 5.665 35.309 ( 0.867 0.000 -16.347) 16.370 35.423 ( -8.999 0.000 11.804) 14.843 35.597 ( -11.620 0.000 9.535) 15.032 36.169 ( -7.409 0.000 -3.538) 8.210 ======================= Grid point 101 (48/72) ======================= q-point: ( 0.43 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 4.685 0.000 -6.114) 7.702 1.781 ( 5.137 0.000 -5.920) 7.838 1.855 ( -4.093 0.000 -1.815) 4.477 2.084 ( -16.389 0.000 -6.916) 17.788 2.233 ( 3.603 0.000 1.845) 4.048 2.300 ( -0.621 0.000 0.300) 0.689 2.481 ( -5.347 0.000 11.174) 12.387 2.542 ( -0.385 0.000 -1.848) 1.888 2.623 ( 8.681 0.000 -0.344) 8.687 2.891 ( -7.475 0.000 21.765) 23.013 2.946 ( -6.412 0.000 4.385) 7.768 3.091 ( 6.236 0.000 14.551) 15.831 3.173 ( 12.349 0.000 -9.277) 15.445 3.233 ( 2.826 0.000 -0.714) 2.915 3.271 ( -1.299 0.000 -0.942) 1.605 3.399 ( 8.595 0.000 -0.084) 8.595 3.404 ( 1.431 0.000 9.409) 9.517 3.564 ( -0.239 0.000 -2.111) 2.124 3.727 ( 3.854 0.000 -13.540) 14.078 3.752 ( 8.993 0.000 -10.662) 13.948 3.978 ( -1.060 0.000 1.011) 1.465 4.014 ( 2.584 0.000 -5.051) 5.674 4.045 ( 5.924 0.000 6.731) 8.967 4.155 ( -5.135 0.000 -11.338) 12.447 4.265 ( 6.912 0.000 -0.978) 6.981 4.366 ( -6.323 0.000 -0.168) 6.325 4.432 ( -3.227 0.000 -3.919) 5.077 4.492 ( 10.506 0.000 0.281) 10.509 4.582 ( -4.432 0.000 -5.585) 7.130 4.680 ( -5.254 0.000 -0.768) 5.310 4.785 ( 2.545 0.000 -6.087) 6.597 4.830 ( 10.004 0.000 0.645) 10.025 4.871 ( -3.815 0.000 0.196) 3.820 4.909 ( 3.787 0.000 5.126) 6.373 4.941 ( -0.132 0.000 14.859) 14.860 5.041 ( 0.393 0.000 -0.658) 0.766 5.138 ( -3.022 0.000 3.024) 4.275 5.176 ( -2.733 0.000 -0.799) 2.848 5.310 ( -3.584 0.000 -8.205) 8.954 5.504 ( 0.338 0.000 -9.683) 9.689 5.555 ( 8.407 0.000 -2.373) 8.735 5.614 ( -10.887 0.000 4.257) 11.690 5.620 ( 3.565 0.000 3.150) 4.757 5.727 ( 0.487 0.000 -0.298) 0.571 6.073 ( -5.511 0.000 2.997) 6.274 6.147 ( -2.599 0.000 -4.149) 4.896 6.613 ( 5.479 0.000 -0.451) 5.498 6.642 ( -3.386 0.000 4.017) 5.254 7.106 ( -1.184 0.000 10.296) 10.363 7.127 ( 0.389 0.000 1.317) 1.373 7.204 ( -4.589 0.000 3.758) 5.931 7.377 ( 2.257 0.000 5.792) 6.216 7.383 ( 2.303 0.000 0.935) 2.485 7.500 ( -4.143 0.000 -9.755) 10.599 7.576 ( -4.377 0.000 2.930) 5.267 7.752 ( 0.696 0.000 -6.633) 6.669 8.925 ( -9.535 0.000 13.067) 16.176 8.970 ( 0.167 0.000 6.662) 6.664 9.044 ( 4.940 0.000 -9.264) 10.499 9.288 ( -4.799 0.000 -6.638) 8.191 9.643 ( -3.356 0.000 9.276) 9.864 9.869 ( -0.184 0.000 0.958) 0.975 9.959 ( 3.289 0.000 -11.421) 11.885 10.041 ( -1.837 0.000 -0.694) 1.964 10.084 ( -0.462 0.000 3.513) 3.544 10.212 ( -4.587 0.000 -6.674) 8.098 10.487 ( -0.858 0.000 1.377) 1.622 10.495 ( 2.184 0.000 -0.701) 2.294 11.591 ( 3.890 0.000 -1.439) 4.148 11.620 ( -1.580 0.000 2.861) 3.268 11.720 ( -0.749 0.000 -1.404) 1.591 11.760 ( 0.633 0.000 -2.924) 2.991 12.299 ( 1.725 0.000 -0.772) 1.889 12.314 ( -1.509 0.000 0.703) 1.664 12.452 ( 0.301 0.000 1.496) 1.526 12.494 ( -2.315 0.000 0.562) 2.383 13.728 ( -1.569 0.000 1.467) 2.148 13.734 ( 1.725 0.000 -1.100) 2.046 13.893 ( 2.593 0.000 -1.254) 2.880 13.911 ( -0.736 0.000 0.274) 0.786 14.752 ( 2.000 0.000 -0.592) 2.086 14.757 ( -0.341 0.000 0.664) 0.746 15.086 ( 3.359 0.000 1.280) 3.595 15.154 ( -0.864 0.000 1.764) 1.964 15.207 ( -0.118 0.000 2.288) 2.291 15.295 ( 3.734 0.000 -4.855) 6.125 15.351 ( 1.865 0.000 3.710) 4.152 15.456 ( 1.250 0.000 -3.462) 3.681 16.011 ( 3.505 0.000 1.808) 3.944 16.110 ( 0.016 0.000 -0.926) 0.926 16.232 ( 3.575 0.000 -0.111) 3.577 16.304 ( -1.979 0.000 -0.790) 2.131 16.801 ( 1.312 0.000 -0.504) 1.405 16.847 ( -1.157 0.000 -1.886) 2.213 17.025 ( 2.371 0.000 -0.057) 2.372 17.042 ( -0.417 0.000 1.362) 1.424 17.612 ( -2.219 0.000 1.299) 2.571 17.633 ( 0.867 0.000 -2.338) 2.494 17.853 ( 6.819 0.000 3.200) 7.532 17.977 ( -0.312 0.000 1.683) 1.712 20.699 ( -1.686 0.000 -0.277) 1.709 20.731 ( -3.414 0.000 -0.716) 3.488 21.005 ( 0.135 0.000 -0.743) 0.755 21.013 ( -1.078 0.000 1.125) 1.558 27.243 ( -1.346 0.000 4.981) 5.160 27.370 ( 5.654 0.000 -7.403) 9.316 27.611 ( 8.047 0.000 18.315) 20.005 28.176 ( 7.280 0.000 -12.178) 14.188 29.480 ( 1.190 0.000 0.518) 1.298 29.511 ( 0.954 0.000 -1.072) 1.435 29.775 ( 2.164 0.000 3.863) 4.428 29.901 ( 5.368 0.000 -4.619) 7.082 30.001 ( -0.730 0.000 2.598) 2.698 30.086 ( 0.941 0.000 -3.560) 3.682 30.555 ( -0.400 0.000 1.551) 1.602 30.626 ( -1.123 0.000 -2.102) 2.383 31.289 ( -0.943 0.000 7.418) 7.477 31.561 ( 2.356 0.000 -3.223) 3.993 31.658 ( -0.747 0.000 -6.060) 6.105 31.691 ( 0.005 0.000 3.600) 3.600 31.878 ( -5.241 0.000 14.592) 15.504 32.080 ( 7.610 0.000 -4.378) 8.780 32.558 ( -6.119 0.000 -3.296) 6.950 32.906 ( -12.371 0.000 -15.205) 19.602 33.425 ( -0.290 0.000 6.345) 6.352 33.500 ( 5.572 0.000 -1.774) 5.847 33.960 ( 0.555 0.000 6.645) 6.668 34.084 ( 2.895 0.000 -4.190) 5.093 35.223 ( -15.231 0.000 7.817) 17.119 35.276 ( 7.916 0.000 -12.587) 14.870 35.616 ( 0.387 0.000 12.227) 12.233 35.994 ( -5.236 0.000 -7.907) 9.483 ======================= Grid point 102 (49/72) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -14.695 0.000 7.244) 16.384 1.642 ( -20.307 0.000 -1.117) 20.338 1.881 ( 4.664 0.000 -2.204) 5.158 1.949 ( 13.561 0.000 3.204) 13.934 2.258 ( -3.770 0.000 -1.313) 3.992 2.290 ( 0.874 0.000 1.174) 1.463 2.417 ( -7.689 0.000 8.335) 11.340 2.494 ( -5.007 0.000 2.039) 5.406 2.801 ( -1.399 0.000 12.459) 12.538 2.803 ( -3.657 0.000 -6.149) 7.154 2.875 ( -8.987 0.000 18.513) 20.579 3.129 ( -3.790 0.000 5.444) 6.633 3.208 ( -6.333 0.000 3.974) 7.477 3.332 ( 6.289 0.000 -2.911) 6.929 3.393 ( -5.504 0.000 1.589) 5.728 3.411 ( -5.990 0.000 -7.191) 9.359 3.462 ( 11.534 0.000 -2.399) 11.780 3.491 ( -3.425 0.000 -3.449) 4.861 3.666 ( 1.564 0.000 -9.742) 9.866 3.790 ( -1.051 0.000 -13.382) 13.424 3.968 ( -1.465 0.000 4.630) 4.856 4.001 ( -8.559 0.000 -3.343) 9.189 4.045 ( 2.768 0.000 -2.060) 3.451 4.089 ( 5.051 0.000 2.094) 5.468 4.247 ( -6.019 0.000 0.789) 6.071 4.357 ( -3.588 0.000 0.167) 3.592 4.427 ( 1.669 0.000 -5.962) 6.191 4.434 ( 0.183 0.000 0.696) 0.720 4.567 ( 3.963 0.000 -1.362) 4.191 4.665 ( 6.577 0.000 -0.586) 6.603 4.777 ( -1.637 0.000 -3.769) 4.109 4.827 ( -1.112 0.000 -0.219) 1.133 4.915 ( 0.052 0.000 -1.336) 1.337 5.009 ( -6.454 0.000 -3.356) 7.275 5.030 ( 3.800 0.000 7.234) 8.171 5.116 ( 6.169 0.000 4.530) 7.654 5.131 ( 8.795 0.000 1.434) 8.911 5.161 ( -4.483 0.000 -6.888) 8.218 5.270 ( 2.974 0.000 8.605) 9.104 5.328 ( -8.280 0.000 -9.157) 12.345 5.466 ( -6.623 0.000 2.998) 7.270 5.691 ( 5.717 0.000 1.732) 5.974 5.710 ( -1.613 0.000 -2.629) 3.084 5.722 ( 5.965 0.000 -3.228) 6.783 6.045 ( -0.460 0.000 4.104) 4.129 6.128 ( 3.465 0.000 -2.412) 4.222 6.600 ( -2.370 0.000 1.111) 2.618 6.715 ( 5.138 0.000 -2.323) 5.639 7.156 ( 1.043 0.000 2.026) 2.279 7.159 ( -2.023 0.000 0.684) 2.136 7.205 ( 2.318 0.000 13.794) 13.988 7.397 ( 1.247 0.000 -9.792) 9.871 7.398 ( -2.395 0.000 0.278) 2.411 7.435 ( 2.209 0.000 0.536) 2.273 7.598 ( 1.255 0.000 7.589) 7.692 7.694 ( -0.052 0.000 -7.808) 7.808 8.807 ( -9.514 0.000 11.118) 14.633 9.081 ( 1.867 0.000 -4.265) 4.656 9.105 ( 4.161 0.000 9.924) 10.761 9.200 ( 5.166 0.000 -10.135) 11.375 9.685 ( -0.040 0.000 10.240) 10.240 9.827 ( -0.713 0.000 -5.035) 5.085 9.954 ( -3.967 0.000 -3.725) 5.442 10.045 ( 8.629 0.000 -3.708) 9.392 10.094 ( -0.927 0.000 4.697) 4.787 10.141 ( -0.074 0.000 -2.620) 2.621 10.494 ( 1.366 0.000 -0.806) 1.586 10.537 ( 3.205 0.000 -2.328) 3.961 11.573 ( -3.854 0.000 0.603) 3.901 11.655 ( 3.730 0.000 -0.436) 3.755 11.707 ( -1.294 0.000 1.203) 1.767 11.733 ( -1.065 0.000 -2.620) 2.828 12.280 ( -2.137 0.000 0.878) 2.311 12.329 ( 1.583 0.000 -0.475) 1.653 12.470 ( -0.206 0.000 -0.087) 0.224 12.492 ( 2.366 0.000 0.845) 2.512 13.710 ( -1.201 0.000 1.037) 1.586 13.757 ( 1.502 0.000 -1.159) 1.897 13.880 ( -2.334 0.000 0.037) 2.334 13.921 ( 0.964 0.000 -0.803) 1.254 14.737 ( -2.046 0.000 0.625) 2.139 14.773 ( 0.609 0.000 -0.665) 0.902 15.115 ( -3.109 0.000 -1.255) 3.353 15.147 ( 2.035 0.000 1.444) 2.495 15.195 ( -3.717 0.000 4.081) 5.519 15.305 ( 1.120 0.000 -5.270) 5.387 15.383 ( -1.018 0.000 3.226) 3.383 15.434 ( -1.235 0.000 -3.824) 4.018 16.063 ( -3.318 0.000 -2.154) 3.956 16.071 ( 0.705 0.000 2.117) 2.231 16.228 ( -4.968 0.000 -0.287) 4.976 16.279 ( 0.171 0.000 1.626) 1.635 16.817 ( -0.506 0.000 -1.734) 1.806 16.819 ( 0.472 0.000 0.424) 0.635 17.022 ( -2.204 0.000 0.357) 2.233 17.061 ( 1.528 0.000 -0.387) 1.576 17.593 ( -0.682 0.000 1.278) 1.448 17.647 ( 2.292 0.000 -1.807) 2.919 17.907 ( -6.051 0.000 -1.447) 6.221 17.986 ( 4.097 0.000 1.215) 4.274 20.703 ( 1.262 0.000 -0.587) 1.392 20.716 ( 3.435 0.000 0.456) 3.465 21.011 ( 0.616 0.000 -1.023) 1.194 21.035 ( 3.167 0.000 -0.947) 3.305 27.233 ( -4.132 0.000 5.177) 6.624 27.377 ( 1.313 0.000 -7.143) 7.262 27.831 ( -0.261 0.000 17.197) 17.199 28.093 ( -2.488 0.000 -22.791) 22.926 29.491 ( -0.555 0.000 0.707) 0.899 29.498 ( -1.270 0.000 -1.140) 1.706 29.799 ( -3.033 0.000 4.106) 5.105 29.899 ( -0.842 0.000 -7.700) 7.746 30.012 ( -0.438 0.000 2.932) 2.964 30.072 ( 0.689 0.000 -3.898) 3.958 30.578 ( 1.155 0.000 2.030) 2.336 30.597 ( 0.092 0.000 -2.142) 2.144 31.341 ( -1.071 0.000 10.592) 10.646 31.486 ( -1.725 0.000 -9.862) 10.012 31.669 ( 0.440 0.000 2.437) 2.476 31.677 ( -1.867 0.000 -1.914) 2.674 31.910 ( -5.384 0.000 13.237) 14.290 32.194 ( 7.893 0.000 -7.858) 11.138 32.541 ( 3.854 0.000 13.740) 14.270 32.622 ( -4.892 0.000 -10.623) 11.695 33.429 ( -4.180 0.000 4.927) 6.461 33.540 ( 0.967 0.000 -3.936) 4.053 33.983 ( -2.401 0.000 5.030) 5.573 34.104 ( 2.466 0.000 -5.873) 6.369 35.024 ( -11.919 0.000 9.043) 14.961 35.408 ( 13.955 0.000 -8.677) 16.433 35.765 ( 5.306 0.000 12.748) 13.808 35.869 ( -0.427 0.000 -10.245) 10.254 ======================= Grid point 103 (50/72) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -17.007 0.000 14.309) 22.225 1.409 ( -15.379 0.000 18.519) 24.072 1.936 ( 1.788 0.000 -1.168) 2.136 2.115 ( -9.321 0.000 -2.141) 9.563 2.229 ( 8.219 0.000 4.251) 9.253 2.235 ( -13.795 0.000 6.299) 15.165 2.350 ( -6.076 0.000 11.756) 13.234 2.433 ( -2.828 0.000 4.612) 5.410 2.638 ( -18.420 0.000 17.577) 25.461 2.718 ( -0.185 0.000 -11.498) 11.500 2.824 ( -12.638 0.000 5.916) 13.954 3.034 ( -9.470 0.000 2.097) 9.700 3.114 ( -4.329 0.000 5.492) 6.993 3.199 ( -10.691 0.000 -9.879) 14.557 3.279 ( 4.824 0.000 -9.203) 10.391 3.379 ( -5.680 0.000 6.222) 8.425 3.381 ( -5.922 0.000 9.667) 11.337 3.521 ( -5.276 0.000 -1.409) 5.461 3.626 ( 8.199 0.000 -15.557) 17.585 3.774 ( 11.426 0.000 -11.330) 16.091 3.911 ( 0.257 0.000 2.215) 2.229 3.994 ( -8.095 0.000 -7.652) 11.139 4.048 ( 2.668 0.000 6.383) 6.918 4.074 ( 2.845 0.000 -4.411) 5.249 4.208 ( 0.828 0.000 1.984) 2.150 4.387 ( -2.070 0.000 -2.823) 3.501 4.402 ( 3.834 0.000 6.520) 7.564 4.501 ( 3.552 0.000 0.550) 3.595 4.656 ( -5.571 0.000 -0.013) 5.571 4.711 ( -3.399 0.000 -3.439) 4.836 4.724 ( 8.465 0.000 -1.177) 8.547 4.786 ( 0.090 0.000 -6.828) 6.828 4.829 ( -11.490 0.000 5.982) 12.953 4.940 ( 3.326 0.000 -3.150) 4.581 5.004 ( -9.712 0.000 -3.795) 10.427 5.110 ( -0.609 0.000 3.664) 3.714 5.122 ( 4.223 0.000 -4.484) 6.160 5.233 ( -0.325 0.000 -2.904) 2.923 5.343 ( 7.978 0.000 3.237) 8.610 5.359 ( 1.158 0.000 1.653) 2.019 5.397 ( -0.464 0.000 -0.097) 0.474 5.659 ( -0.694 0.000 -4.695) 4.746 5.687 ( -2.959 0.000 -2.534) 3.896 5.867 ( 6.582 0.000 1.453) 6.740 6.106 ( 2.943 0.000 4.027) 4.988 6.228 ( 7.041 0.000 -0.519) 7.060 6.584 ( 0.320 0.000 0.075) 0.329 6.729 ( -1.796 0.000 -2.335) 2.946 7.129 ( -0.875 0.000 -1.577) 1.804 7.177 ( 0.658 0.000 -1.431) 1.575 7.328 ( -3.808 0.000 -0.056) 3.809 7.390 ( 3.621 0.000 -5.578) 6.651 7.401 ( 3.505 0.000 14.741) 15.152 7.432 ( -0.229 0.000 -5.514) 5.519 7.704 ( 5.969 0.000 6.935) 9.150 7.715 ( 7.138 0.000 -1.839) 7.371 8.766 ( -4.813 0.000 13.701) 14.522 9.052 ( 1.057 0.000 -5.582) 5.681 9.254 ( 2.535 0.000 11.150) 11.435 9.301 ( 10.248 0.000 -8.393) 13.246 9.793 ( 0.769 0.000 -3.559) 3.641 9.794 ( 2.815 0.000 8.838) 9.275 9.875 ( -1.988 0.000 -1.268) 2.358 10.040 ( -3.243 0.000 -0.007) 3.243 10.161 ( 5.279 0.000 -1.906) 5.613 10.267 ( 11.424 0.000 1.834) 11.570 10.533 ( 4.419 0.000 -2.584) 5.119 10.572 ( 2.626 0.000 -3.379) 4.279 11.500 ( -4.214 0.000 0.411) 4.234 11.671 ( -4.042 0.000 2.744) 4.885 11.683 ( -0.759 0.000 -4.023) 4.094 11.728 ( 2.909 0.000 1.133) 3.122 12.259 ( -0.870 0.000 1.332) 1.591 12.342 ( 0.327 0.000 -1.205) 1.248 12.486 ( 2.001 0.000 -0.356) 2.032 12.544 ( 2.495 0.000 0.372) 2.522 13.703 ( 0.008 0.000 0.425) 0.425 13.770 ( 0.422 0.000 -0.431) 0.603 13.834 ( -2.016 0.000 -0.470) 2.070 13.910 ( -1.511 0.000 -0.753) 1.689 14.699 ( -2.223 0.000 0.547) 2.290 14.759 ( -1.444 0.000 -1.076) 1.800 15.019 ( -5.972 0.000 -1.082) 6.070 15.146 ( -4.174 0.000 4.027) 5.800 15.193 ( 2.207 0.000 0.651) 2.301 15.229 ( -5.110 0.000 -8.127) 9.600 15.344 ( -4.272 0.000 -3.640) 5.612 15.375 ( -2.389 0.000 3.446) 4.193 15.964 ( -4.858 0.000 -3.225) 5.831 16.054 ( -4.020 0.000 0.800) 4.099 16.130 ( -5.317 0.000 1.133) 5.436 16.247 ( -5.048 0.000 2.685) 5.718 16.807 ( 1.110 0.000 -1.766) 2.085 16.823 ( -1.328 0.000 2.812) 3.109 16.983 ( -1.343 0.000 -0.385) 1.397 17.080 ( 1.374 0.000 -1.949) 2.385 17.599 ( -0.145 0.000 0.825) 0.837 17.683 ( 2.570 0.000 -1.798) 3.137 17.774 ( -5.090 0.000 -2.038) 5.483 17.975 ( -4.963 0.000 -4.613) 6.776 20.759 ( 4.213 0.000 0.131) 4.215 20.822 ( 6.317 0.000 0.206) 6.321 21.028 ( 2.629 0.000 -0.201) 2.637 21.103 ( 5.241 0.000 -2.255) 5.706 27.161 ( -7.022 0.000 3.865) 8.016 27.330 ( -0.485 0.000 -5.774) 5.795 27.706 ( -17.010 0.000 -28.438) 33.137 27.855 ( -8.344 0.000 10.758) 13.615 29.454 ( -2.326 0.000 -0.794) 2.458 29.471 ( -1.862 0.000 0.425) 1.910 29.731 ( -6.399 0.000 2.932) 7.039 29.760 ( -6.795 0.000 -6.537) 9.429 30.024 ( -0.816 0.000 2.879) 2.992 30.062 ( 1.338 0.000 -3.159) 3.430 30.601 ( 1.828 0.000 -1.656) 2.467 30.619 ( 1.095 0.000 2.106) 2.373 31.393 ( -0.950 0.000 -6.915) 6.980 31.398 ( -2.447 0.000 11.223) 11.487 31.605 ( -3.711 0.000 -1.945) 4.190 31.684 ( -0.383 0.000 2.233) 2.266 31.862 ( -5.867 0.000 7.534) 9.549 32.211 ( 4.584 0.000 -16.462) 17.088 32.599 ( 3.729 0.000 3.906) 5.400 32.936 ( 19.048 0.000 23.115) 29.952 33.352 ( -6.242 0.000 2.682) 6.794 33.490 ( -1.593 0.000 -5.567) 5.791 33.965 ( -3.181 0.000 4.510) 5.519 34.047 ( -2.498 0.000 -10.445) 10.739 34.943 ( -5.807 0.000 15.379) 16.439 35.634 ( 14.527 0.000 -7.303) 16.259 35.821 ( 4.602 0.000 -10.620) 11.574 36.016 ( 10.926 0.000 11.237) 15.673 ======================= Grid point 104 (51/72) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( -17.262 0.000 23.345) 29.034 1.362 ( -7.698 0.000 26.744) 27.830 1.894 ( -9.468 0.000 -6.213) 11.324 1.914 ( -22.390 0.000 20.574) 30.407 1.963 ( 2.971 0.000 -0.374) 2.995 2.290 ( -0.460 0.000 -2.677) 2.716 2.361 ( -7.403 0.000 -6.428) 9.805 2.365 ( -2.732 0.000 11.174) 11.503 2.538 ( -9.689 0.000 16.905) 19.485 2.556 ( -6.026 0.000 -0.951) 6.101 2.613 ( -7.452 0.000 0.403) 7.463 3.002 ( -0.734 0.000 -10.992) 11.016 3.053 ( -5.934 0.000 8.817) 10.628 3.083 ( 10.372 0.000 3.686) 11.008 3.179 ( -7.676 0.000 -6.311) 9.937 3.358 ( -8.214 0.000 0.583) 8.235 3.422 ( -4.685 0.000 19.206) 19.769 3.440 ( 7.925 0.000 -4.023) 8.888 3.693 ( 5.871 0.000 -7.365) 9.419 3.836 ( 2.989 0.000 -7.012) 7.622 3.913 ( 4.894 0.000 -13.047) 13.935 3.970 ( 1.707 0.000 -0.502) 1.780 4.105 ( 4.763 0.000 -3.876) 6.140 4.146 ( 5.317 0.000 -1.462) 5.514 4.171 ( -4.866 0.000 -1.560) 5.110 4.333 ( -5.982 0.000 -6.537) 8.861 4.383 ( 4.971 0.000 -0.541) 5.000 4.523 ( -15.629 0.000 7.342) 17.268 4.576 ( 0.746 0.000 3.077) 3.166 4.616 ( -3.922 0.000 -1.353) 4.148 4.725 ( 8.543 0.000 0.218) 8.546 4.847 ( 6.998 0.000 0.269) 7.003 4.851 ( 0.738 0.000 7.637) 7.672 4.882 ( -1.002 0.000 -5.174) 5.270 4.992 ( 0.087 0.000 0.595) 0.601 5.053 ( -7.133 0.000 -5.428) 8.964 5.060 ( -3.515 0.000 -2.322) 4.213 5.198 ( 2.361 0.000 -6.502) 6.918 5.342 ( -3.682 0.000 0.433) 3.708 5.394 ( 5.409 0.000 -6.306) 8.308 5.535 ( -0.125 0.000 -1.894) 1.898 5.598 ( -3.366 0.000 -4.698) 5.779 5.607 ( 3.754 0.000 2.122) 4.312 5.916 ( -2.411 0.000 1.327) 2.752 6.200 ( 3.836 0.000 2.531) 4.596 6.333 ( 3.571 0.000 -0.582) 3.618 6.610 ( 0.688 0.000 2.746) 2.831 6.660 ( -3.014 0.000 0.504) 3.056 7.101 ( -1.006 0.000 -0.827) 1.303 7.170 ( 0.836 0.000 -3.684) 3.778 7.272 ( -2.386 0.000 2.529) 3.477 7.358 ( -0.574 0.000 -4.782) 4.816 7.468 ( 5.710 0.000 -2.885) 6.398 7.486 ( -3.171 0.000 8.712) 9.271 7.886 ( 9.737 0.000 0.850) 9.774 7.956 ( 10.872 0.000 5.835) 12.338 8.817 ( -2.286 0.000 14.306) 14.488 9.052 ( 3.735 0.000 -6.528) 7.521 9.367 ( 1.889 0.000 7.145) 7.390 9.416 ( 7.046 0.000 -5.632) 9.020 9.795 ( 0.882 0.000 -1.051) 1.372 9.828 ( -2.397 0.000 -0.472) 2.443 9.884 ( -0.546 0.000 5.186) 5.214 9.973 ( -1.576 0.000 -3.121) 3.496 10.374 ( 17.202 0.000 0.289) 17.204 10.462 ( 6.146 0.000 0.614) 6.176 10.576 ( 0.131 0.000 -2.305) 2.308 10.638 ( 8.089 0.000 -1.566) 8.240 11.430 ( -2.745 0.000 0.923) 2.896 11.608 ( -4.764 0.000 3.667) 6.012 11.646 ( 0.707 0.000 -4.404) 4.460 11.755 ( -1.167 0.000 -3.628) 3.811 12.262 ( -0.344 0.000 1.777) 1.810 12.321 ( -0.700 0.000 -2.091) 2.205 12.538 ( 3.165 0.000 0.684) 3.238 12.586 ( 1.404 0.000 0.391) 1.458 13.719 ( 1.434 0.000 -0.127) 1.439 13.767 ( -1.070 0.000 1.341) 1.716 13.803 ( -0.263 0.000 -1.924) 1.942 13.858 ( -2.908 0.000 -0.864) 3.033 14.673 ( -0.173 0.000 -0.185) 0.253 14.711 ( -1.920 0.000 -1.033) 2.180 14.880 ( -7.774 0.000 -0.179) 7.776 14.953 ( -15.468 0.000 -7.243) 17.080 15.115 ( -1.877 0.000 3.567) 4.031 15.238 ( -0.834 0.000 -2.218) 2.370 15.267 ( 2.777 0.000 -1.673) 3.242 15.341 ( -4.536 0.000 4.088) 6.106 15.845 ( -4.695 0.000 -1.009) 4.802 15.940 ( -6.669 0.000 -0.980) 6.741 16.060 ( -3.123 0.000 2.559) 4.037 16.162 ( -4.857 0.000 1.469) 5.074 16.826 ( -1.292 0.000 5.741) 5.884 16.833 ( 2.598 0.000 -1.146) 2.840 16.957 ( -1.580 0.000 -1.410) 2.117 17.074 ( 0.408 0.000 -4.506) 4.525 17.579 ( -1.262 0.000 -1.116) 1.684 17.673 ( -5.266 0.000 -2.938) 6.030 17.721 ( -0.349 0.000 0.344) 0.490 17.784 ( -5.344 0.000 -2.515) 5.906 20.841 ( 3.457 0.000 0.793) 3.547 20.903 ( 2.635 0.000 -1.606) 3.086 21.137 ( 5.955 0.000 3.329) 6.822 21.193 ( 5.816 0.000 -2.453) 6.313 27.038 ( -7.462 0.000 1.220) 7.561 27.100 ( -19.142 0.000 -11.862) 22.519 27.342 ( 1.453 0.000 -1.643) 2.193 27.703 ( -12.571 0.000 3.769) 13.124 29.410 ( -1.475 0.000 -0.368) 1.521 29.434 ( -1.903 0.000 -0.115) 1.906 29.606 ( -4.795 0.000 -1.423) 5.001 29.629 ( -5.518 0.000 1.520) 5.724 30.026 ( -1.119 0.000 2.667) 2.892 30.071 ( 1.784 0.000 -2.793) 3.314 30.633 ( 2.393 0.000 -1.171) 2.664 30.644 ( -0.125 0.000 1.746) 1.751 31.346 ( 0.537 0.000 -4.233) 4.267 31.388 ( -4.460 0.000 2.692) 5.209 31.551 ( -4.031 0.000 9.016) 9.876 31.703 ( 0.835 0.000 1.763) 1.951 31.852 ( -1.706 0.000 8.214) 8.390 32.164 ( 3.715 0.000 -15.213) 15.660 32.745 ( 5.857 0.000 7.729) 9.697 33.193 ( -6.482 0.000 0.346) 6.491 33.423 ( -0.583 0.000 -4.914) 4.948 33.493 ( 18.652 0.000 1.429) 18.706 33.875 ( -5.473 0.000 -7.151) 9.005 33.934 ( -3.653 0.000 4.091) 5.485 35.041 ( 0.682 0.000 20.453) 20.464 35.706 ( 2.983 0.000 -13.584) 13.908 35.975 ( 14.483 0.000 -2.922) 14.775 36.278 ( 7.528 0.000 1.996) 7.788 ======================= Grid point 105 (52/72) ======================= q-point: ( 0.00 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 1.571 9.885 19.218) 21.668 1.438 ( 2.510 -4.884 21.468) 22.160 1.733 ( -2.625 0.693 -7.720) 8.184 1.874 ( 2.476 0.410 3.546) 4.344 1.977 ( 2.421 -3.111 -1.218) 4.126 2.108 ( -4.338 1.801 -8.848) 10.018 2.347 ( 0.306 -2.271 8.435) 8.741 2.411 ( -3.778 2.628 2.308) 5.148 2.427 ( 0.269 -3.163 0.040) 3.175 2.553 ( 0.114 5.218 -5.982) 7.939 2.641 ( -1.123 -4.718 15.199) 15.954 2.868 ( 2.319 -10.962 -1.293) 11.279 2.992 ( -1.020 1.812 4.200) 4.687 3.024 ( 2.411 -2.548 -1.558) 3.838 3.200 ( 1.514 -7.550 4.502) 8.919 3.248 ( -2.361 5.985 4.384) 7.786 3.389 ( 0.940 -8.472 -2.270) 8.821 3.628 ( 1.738 4.059 7.423) 8.637 3.704 ( -0.000 -0.695 -4.997) 5.045 3.743 ( -1.616 -3.653 -5.274) 6.616 3.834 ( 1.444 6.992 -20.815) 22.005 3.920 ( -4.606 -0.270 -8.828) 9.961 4.122 ( 4.746 -3.229 5.815) 8.171 4.188 ( -3.370 1.298 4.238) 5.568 4.212 ( -4.286 0.063 0.589) 4.327 4.329 ( 0.668 4.917 -4.087) 6.428 4.386 ( -2.945 9.377 10.281) 14.223 4.473 ( 3.140 -0.708 2.645) 4.166 4.593 ( 4.352 0.907 -2.396) 5.050 4.694 ( -4.291 -1.228 -10.604) 11.505 4.794 ( -0.695 3.200 9.403) 9.957 4.834 ( 0.817 -1.443 3.496) 3.869 4.941 ( 1.475 2.391 1.045) 2.997 4.970 ( -1.016 2.058 -0.756) 2.416 5.003 ( 1.913 4.076 -0.224) 4.508 5.087 ( 3.289 2.212 -11.197) 11.878 5.176 ( -4.749 10.659 -1.212) 11.732 5.214 ( -1.411 -3.044 0.612) 3.410 5.235 ( 4.124 5.421 -2.041) 7.111 5.321 ( 1.812 1.758 -4.649) 5.291 5.525 ( 2.196 3.270 -2.383) 4.604 5.575 ( 1.902 3.961 -6.185) 7.587 5.787 ( 3.008 3.435 3.568) 5.794 5.851 ( -4.234 1.437 -0.127) 4.473 6.253 ( 1.255 -2.112 3.162) 4.004 6.311 ( -0.714 -3.743 -0.581) 3.854 6.635 ( -1.337 0.246 2.933) 3.232 6.640 ( -1.303 0.272 1.776) 2.219 7.057 ( 1.755 -2.305 1.555) 3.288 7.129 ( -1.784 -2.368 -4.233) 5.168 7.257 ( -1.495 -0.392 5.296) 5.517 7.332 ( -2.497 0.491 -0.528) 2.599 7.426 ( 1.304 -2.737 5.303) 6.108 7.554 ( 2.740 -1.420 -4.042) 5.085 7.973 ( 3.019 -5.764 0.715) 6.546 7.986 ( -4.029 -6.542 -0.473) 7.697 8.858 ( -3.775 0.139 12.089) 12.666 9.114 ( 3.577 1.506 -9.893) 10.627 9.292 ( -3.330 -6.656 10.174) 12.605 9.475 ( -0.425 -1.011 -5.421) 5.531 9.757 ( -0.603 -1.012 0.461) 1.265 9.802 ( -0.791 0.071 -3.132) 3.232 9.872 ( -0.213 -1.012 1.543) 1.857 9.953 ( 3.337 -1.470 -4.531) 5.816 10.471 ( -0.283 -3.501 0.545) 3.554 10.513 ( -1.289 -0.315 -2.120) 2.501 10.603 ( 4.007 -5.202 3.487) 7.435 10.682 ( -0.845 -2.183 -3.584) 4.280 11.474 ( 3.383 0.490 3.537) 4.919 11.538 ( -1.327 -1.778 0.623) 2.305 11.612 ( -5.474 1.390 -2.371) 6.125 11.657 ( 2.711 0.339 -3.783) 4.666 12.256 ( -0.783 -0.937 1.592) 2.006 12.295 ( 0.707 -1.341 -1.907) 2.436 12.558 ( -0.955 -2.728 0.383) 2.916 12.560 ( 1.180 -2.255 0.252) 2.558 13.762 ( 0.406 1.470 0.903) 1.773 13.775 ( -1.985 2.151 0.110) 2.929 13.811 ( 1.417 0.820 -0.332) 1.670 13.829 ( -0.137 1.391 -1.519) 2.064 14.666 ( -4.287 -1.593 0.098) 4.574 14.672 ( 4.079 -1.627 -0.436) 4.413 14.776 ( -2.125 1.548 0.120) 2.632 14.778 ( 1.868 2.134 -0.042) 2.837 15.096 ( 1.117 -3.425 1.615) 3.948 15.122 ( -1.346 -4.867 -0.446) 5.069 15.288 ( -2.110 0.275 1.365) 2.528 15.336 ( 4.723 -0.988 -2.569) 5.467 15.840 ( 2.838 1.890 0.678) 3.477 15.871 ( -1.571 2.254 -1.969) 3.380 16.046 ( 0.267 -1.462 3.158) 3.490 16.089 ( -0.568 -1.304 -0.592) 1.541 16.865 ( -1.140 0.590 5.996) 6.132 16.918 ( 0.989 2.089 1.019) 2.527 16.970 ( -0.210 5.288 -1.695) 5.557 17.030 ( -0.912 0.894 -5.599) 5.743 17.482 ( -1.251 -4.132 1.028) 4.438 17.511 ( 1.372 -4.225 -1.651) 4.739 17.820 ( -1.997 6.909 1.655) 7.380 17.856 ( 0.978 7.025 -1.565) 7.263 20.925 ( 0.781 3.103 0.447) 3.231 20.944 ( -0.771 3.042 -1.274) 3.387 21.190 ( -1.954 -1.557 2.493) 3.529 21.238 ( 1.655 -1.793 -1.803) 3.034 26.940 ( 4.127 2.567 0.762) 4.920 26.964 ( -3.555 3.101 -1.431) 4.930 27.413 ( 9.482 -4.326 1.940) 10.602 27.448 ( -9.300 -3.703 -1.272) 10.091 29.413 ( 0.542 1.005 0.001) 1.142 29.417 ( -0.450 0.973 -0.370) 1.134 29.571 ( -0.895 0.319 0.507) 1.077 29.576 ( 0.961 0.223 0.051) 0.988 30.097 ( -0.808 5.698 0.066) 5.756 30.124 ( 1.319 3.684 -1.880) 4.342 30.641 ( -1.359 0.323 0.932) 1.679 30.664 ( 1.400 -0.016 -1.003) 1.723 31.341 ( -3.776 2.509 2.013) 4.960 31.395 ( 2.424 3.666 -2.841) 5.233 31.584 ( -3.221 1.465 11.264) 11.807 31.729 ( 1.888 -0.594 -1.073) 2.252 31.945 ( -0.838 4.675 8.554) 9.784 32.174 ( 2.238 5.359 -11.969) 13.303 32.910 ( 5.787 -2.341 9.007) 10.959 33.061 ( -5.726 0.661 -4.560) 7.350 33.364 ( -1.188 -2.842 0.900) 3.209 33.511 ( 0.332 -1.699 -11.108) 11.242 33.827 ( -1.096 -4.882 3.338) 6.014 33.889 ( 4.173 -3.652 -2.498) 6.082 35.225 ( 0.760 -0.245 17.035) 17.053 35.553 ( -1.403 -5.613 -11.032) 12.457 36.102 ( -2.622 -5.138 3.942) 6.987 36.226 ( 1.130 -2.759 -6.950) 7.563 ======================= Grid point 106 (53/72) ======================= q-point: ( 0.14 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 12.712 1.753 6.969) 14.603 1.685 ( 14.313 0.866 -7.477) 16.172 1.732 ( -0.669 -7.770 10.019) 12.696 1.924 ( 8.008 -3.771 -5.164) 10.248 2.055 ( 3.771 1.261 -4.048) 5.674 2.123 ( 7.543 1.696 2.684) 8.184 2.378 ( 3.846 2.129 2.522) 5.068 2.423 ( 0.088 -2.948 7.035) 7.629 2.531 ( 5.748 3.196 3.072) 7.259 2.551 ( 7.094 0.413 -7.112) 10.054 2.747 ( 2.224 -8.321 11.163) 14.100 2.891 ( 0.811 -1.046 -4.882) 5.059 2.979 ( 0.986 1.341 -3.259) 3.659 3.137 ( 6.272 3.015 0.882) 7.015 3.211 ( 1.921 -6.660 0.090) 6.932 3.285 ( 0.326 -8.610 -8.518) 12.116 3.373 ( -3.355 -0.327 15.610) 15.970 3.596 ( 0.468 7.196 -4.146) 8.318 3.639 ( -2.084 6.471 -3.879) 7.827 3.768 ( -2.096 -7.675 -4.189) 8.992 3.799 ( 7.451 1.207 -2.717) 8.022 3.913 ( 4.210 -0.499 5.936) 7.294 4.037 ( -8.178 -1.400 1.593) 8.448 4.174 ( 1.445 3.139 0.695) 3.525 4.223 ( 0.916 -0.528 -3.342) 3.505 4.327 ( 0.737 6.319 -0.403) 6.375 4.421 ( -1.572 7.131 2.454) 7.704 4.503 ( -1.380 -1.085 4.738) 5.053 4.601 ( -1.588 -1.082 3.647) 4.122 4.652 ( 4.392 -0.900 -4.623) 6.440 4.807 ( -2.749 4.445 0.826) 5.291 4.863 ( 0.448 -0.855 -5.679) 5.761 4.909 ( -3.712 5.760 -0.796) 6.899 4.952 ( -1.889 -3.203 -0.313) 3.731 4.981 ( -0.009 0.741 -0.828) 1.111 5.076 ( 0.804 3.796 -1.345) 4.107 5.115 ( 1.056 0.528 -0.379) 1.240 5.254 ( 2.836 0.613 2.748) 3.996 5.331 ( 7.063 7.960 -1.561) 10.756 5.375 ( 3.114 3.182 -3.985) 5.976 5.487 ( 1.493 3.936 -4.926) 6.479 5.619 ( 4.195 3.771 -2.567) 6.197 5.749 ( -6.011 2.811 -1.635) 6.834 5.873 ( 2.914 2.009 1.356) 3.790 6.262 ( -3.628 -1.927 2.636) 4.881 6.274 ( -0.929 -3.886 -2.483) 4.704 6.612 ( -3.840 -0.000 4.655) 6.035 6.626 ( -1.729 0.579 1.309) 2.245 7.029 ( -3.237 -3.923 -1.676) 5.355 7.141 ( 3.066 -0.713 0.983) 3.298 7.263 ( -2.622 2.236 4.918) 6.005 7.282 ( -2.336 -1.937 2.094) 3.687 7.418 ( -3.476 0.533 -0.114) 3.519 7.609 ( 5.244 -4.008 -4.720) 8.114 7.818 ( -11.097 -5.574 1.372) 12.494 7.952 ( -6.150 -4.685 0.411) 7.743 8.845 ( -5.499 -0.212 10.102) 11.504 9.073 ( -1.645 -3.299 -6.345) 7.338 9.242 ( -7.121 -0.071 6.695) 9.774 9.433 ( -0.489 -1.980 -2.469) 3.203 9.722 ( -4.210 -0.199 1.267) 4.401 9.815 ( 3.238 -0.974 0.682) 3.449 9.928 ( 4.310 -0.857 -0.725) 4.454 9.981 ( 3.088 -3.050 -4.812) 6.480 10.359 ( -9.823 1.487 -1.673) 10.075 10.465 ( -2.397 -1.898 0.850) 3.173 10.546 ( -7.190 -3.742 -1.027) 8.171 10.625 ( -4.453 -1.696 -0.959) 4.861 11.470 ( 0.276 -0.571 -2.193) 2.283 11.582 ( 1.773 2.534 2.046) 3.708 11.625 ( 3.811 -2.809 0.423) 4.753 11.718 ( 5.534 0.504 -0.957) 5.638 12.257 ( -0.205 -1.550 1.880) 2.445 12.282 ( -0.506 -1.480 -1.375) 2.082 12.515 ( -3.161 -2.148 -0.114) 3.824 12.562 ( -1.300 -2.023 0.042) 2.405 13.745 ( -1.292 1.943 0.318) 2.355 13.771 ( -0.594 1.472 1.204) 1.992 13.821 ( 1.401 0.532 -1.778) 2.325 13.853 ( 2.283 0.409 0.078) 2.321 14.647 ( 1.694 -0.931 -0.256) 1.950 14.735 ( 0.567 1.932 0.690) 2.129 14.800 ( 8.464 -2.681 0.611) 8.900 14.931 ( 8.905 1.475 0.123) 9.028 15.107 ( 0.352 -4.977 -0.248) 4.995 15.152 ( 3.387 -2.736 1.339) 4.555 15.276 ( 1.121 2.436 -0.955) 2.846 15.408 ( 4.248 -2.171 -3.792) 6.094 15.866 ( 2.646 1.481 -1.873) 3.565 15.954 ( 7.303 1.225 -0.226) 7.409 16.063 ( 1.668 -2.884 0.519) 3.372 16.157 ( 5.843 -1.357 0.191) 6.001 16.844 ( -2.477 2.217 1.589) 3.684 16.968 ( 1.502 1.847 4.434) 5.033 16.977 ( 0.898 2.383 -5.822) 6.354 17.006 ( 1.900 4.624 0.993) 5.096 17.493 ( 1.379 -4.340 0.432) 4.574 17.552 ( 3.639 -5.681 -0.926) 6.810 17.793 ( -1.749 6.549 1.841) 7.024 17.883 ( 2.776 7.167 -0.093) 7.686 20.883 ( -4.474 2.014 -0.871) 4.983 20.906 ( -3.238 2.719 0.763) 4.297 21.118 ( -6.221 -1.166 2.703) 6.883 21.190 ( -4.787 -1.413 -2.444) 5.557 26.977 ( 5.636 0.779 0.637) 5.726 27.107 ( 10.634 1.697 -1.219) 10.837 27.316 ( -2.561 -1.855 -1.846) 3.662 27.671 ( 15.084 -6.254 0.847) 16.351 29.424 ( 1.396 1.223 -0.212) 1.868 29.443 ( 2.395 0.922 -0.052) 2.567 29.590 ( 2.719 0.326 0.556) 2.794 29.647 ( 6.009 -0.702 -0.513) 6.071 30.081 ( -1.085 5.458 0.436) 5.582 30.132 ( 1.112 3.830 -1.776) 4.366 30.612 ( -2.340 0.338 0.849) 2.512 30.672 ( 0.210 -0.371 -0.967) 1.057 31.299 ( -2.538 2.730 3.254) 4.948 31.449 ( 4.383 3.880 -1.056) 5.948 31.616 ( -2.072 1.167 10.179) 10.453 31.753 ( 2.518 -0.456 -4.321) 5.022 31.976 ( -2.310 4.767 6.713) 8.551 32.111 ( 0.645 5.684 -11.004) 12.402 32.882 ( -6.677 -1.456 -4.579) 8.226 33.124 ( 7.002 -3.189 6.473) 10.055 33.345 ( -2.748 -1.979 3.274) 4.710 33.442 ( 0.069 1.980 -6.723) 7.009 33.792 ( -1.035 -3.350 1.200) 3.705 33.989 ( 6.274 -4.133 -4.244) 8.628 35.335 ( -2.670 -3.584 13.904) 14.604 35.419 ( -2.606 -3.537 -10.413) 11.302 35.883 ( -17.345 -0.280 3.042) 17.612 36.218 ( -2.068 -5.383 -2.148) 6.154 ======================= Grid point 107 (54/72) ======================= q-point: ( 0.29 0.17 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 4.102 -3.581 -8.996) 10.516 1.764 ( -2.711 -5.546 0.980) 6.251 1.804 ( 6.224 -3.671 -9.008) 11.548 2.094 ( 5.593 -1.328 -3.023) 6.495 2.152 ( 4.982 -3.674 -0.088) 6.191 2.244 ( 4.627 -0.784 10.019) 11.064 2.483 ( 1.583 -1.543 0.116) 2.214 2.525 ( 4.626 8.801 2.806) 10.331 2.596 ( 2.200 -1.352 -0.944) 2.749 2.738 ( 5.530 -0.749 2.141) 5.977 2.851 ( 4.585 -1.393 -1.580) 5.045 2.936 ( 6.779 1.380 11.958) 13.815 3.034 ( 7.261 -0.396 -2.508) 7.692 3.134 ( 5.336 -0.714 -7.116) 8.923 3.248 ( 5.049 -1.579 -2.235) 5.743 3.375 ( 4.343 -2.588 -2.347) 5.574 3.489 ( 6.185 -7.240 -0.654) 9.545 3.512 ( -6.251 8.190 -2.608) 10.627 3.631 ( -0.734 13.005 13.521) 18.775 3.762 ( 6.537 -3.903 -6.347) 9.912 3.887 ( 2.562 1.188 1.632) 3.262 3.927 ( 0.395 -1.017 1.182) 1.609 4.088 ( 4.112 -5.902 2.328) 7.560 4.195 ( 0.144 1.374 -2.466) 2.826 4.258 ( 0.310 6.326 -3.299) 7.141 4.319 ( 5.521 4.157 1.299) 7.032 4.431 ( 1.114 2.131 4.540) 5.137 4.549 ( -2.129 1.573 2.209) 3.447 4.559 ( -3.600 -1.594 -0.722) 4.003 4.662 ( 3.253 -4.039 -0.516) 5.212 4.725 ( -1.352 -5.025 -7.175) 8.864 4.802 ( -3.214 1.630 -5.648) 6.700 4.861 ( -2.645 3.209 -0.274) 4.168 4.925 ( 0.300 4.215 6.503) 7.755 4.984 ( -0.834 0.909 0.402) 1.297 5.117 ( 1.540 2.737 -1.050) 3.312 5.129 ( -1.170 0.411 3.742) 3.942 5.229 ( -1.985 -0.694 -3.459) 4.048 5.441 ( 5.927 4.215 -0.342) 7.281 5.487 ( 2.591 2.834 -3.573) 5.245 5.503 ( 6.626 2.550 -0.469) 7.115 5.590 ( -6.445 2.414 -5.258) 8.661 5.693 ( 2.795 4.219 2.564) 5.673 5.854 ( -5.647 2.397 -1.992) 6.450 6.174 ( -6.787 -1.927 1.435) 7.200 6.222 ( -2.732 -2.423 -3.164) 4.832 6.560 ( -2.915 0.351 3.326) 4.437 6.624 ( -0.834 -1.968 3.422) 4.035 6.979 ( -1.621 -5.478 2.142) 6.101 7.182 ( -1.522 1.137 1.615) 2.493 7.232 ( -0.781 -5.737 1.606) 6.009 7.277 ( -3.114 2.466 5.237) 6.573 7.385 ( 1.824 3.449 1.190) 4.079 7.603 ( -3.967 -4.035 -5.561) 7.934 7.682 ( -2.567 -1.781 1.160) 3.333 7.793 ( -7.319 -1.763 -2.690) 7.995 8.837 ( -2.123 -2.384 7.037) 7.728 8.979 ( -6.211 -5.056 3.597) 8.779 9.162 ( -2.488 3.768 -3.028) 5.437 9.385 ( -3.702 -2.370 -1.709) 4.716 9.665 ( -3.528 0.302 4.249) 5.531 9.866 ( 0.552 0.246 0.159) 0.625 9.939 ( 0.686 -5.501 -4.791) 7.327 10.012 ( 1.469 -1.444 -4.532) 4.979 10.187 ( -4.108 5.199 -0.826) 6.677 10.387 ( -6.692 -1.393 -2.022) 7.128 10.449 ( -1.620 -2.297 2.372) 3.678 10.530 ( -3.421 0.947 -0.547) 3.592 11.491 ( 2.765 -2.085 -1.485) 3.768 11.624 ( 0.644 -0.483 0.175) 0.824 11.676 ( 2.511 -0.698 -0.164) 2.611 11.799 ( 2.611 1.493 -0.558) 3.059 12.269 ( 0.216 -1.421 -0.551) 1.539 12.284 ( 1.375 -2.083 1.779) 3.065 12.449 ( -3.357 -1.720 0.154) 3.775 12.522 ( -2.656 -1.724 0.125) 3.169 13.731 ( -0.528 1.244 0.534) 1.453 13.761 ( -0.848 1.473 0.316) 1.729 13.844 ( 2.261 -0.618 -1.578) 2.826 13.892 ( 1.241 -0.678 0.341) 1.455 14.698 ( 3.279 -0.411 -0.416) 3.330 14.759 ( 0.538 1.242 0.753) 1.549 14.965 ( 7.028 -2.305 1.506) 7.548 15.090 ( 5.625 1.020 3.180) 6.541 15.124 ( 2.208 -4.960 -0.976) 5.516 15.250 ( 4.605 -1.061 2.865) 5.526 15.304 ( 2.903 2.888 -2.826) 4.975 15.433 ( 1.880 -1.759 -3.816) 4.604 15.924 ( 4.245 0.436 -0.779) 4.338 16.065 ( 3.801 -0.147 0.283) 3.815 16.128 ( 4.518 -2.806 -0.615) 5.354 16.255 ( 3.588 -2.894 -0.544) 4.642 16.828 ( -0.004 3.460 0.280) 3.472 16.960 ( 0.637 5.102 -4.093) 6.571 17.009 ( 1.100 2.777 1.597) 3.387 17.051 ( 1.157 2.875 1.839) 3.603 17.525 ( 1.309 -5.275 0.386) 5.449 17.607 ( 1.717 -4.970 -0.045) 5.258 17.807 ( 2.289 6.559 2.307) 7.320 17.971 ( 5.124 5.641 1.876) 7.848 20.773 ( -5.748 0.448 -0.862) 5.829 20.823 ( -5.859 0.623 0.720) 5.936 21.036 ( -4.094 -0.853 2.188) 4.719 21.062 ( -4.830 -0.397 -2.584) 5.492 27.157 ( 8.185 -2.376 5.498) 10.142 27.227 ( 2.767 -2.355 0.561) 3.677 27.376 ( 9.432 2.580 -0.079) 9.779 27.934 ( 12.417 -8.571 -3.705) 15.536 29.460 ( 2.107 1.343 0.178) 2.505 29.492 ( 2.612 0.970 -0.442) 2.821 29.671 ( 4.391 -0.489 1.588) 4.695 29.773 ( 7.338 -1.710 -1.775) 7.741 30.066 ( -0.945 5.497 0.971) 5.661 30.138 ( 0.826 3.989 -1.756) 4.436 30.575 ( -2.051 0.417 1.135) 2.381 30.658 ( -0.661 -0.375 -1.265) 1.476 31.296 ( -1.268 3.086 5.205) 6.183 31.530 ( 3.640 2.689 0.936) 4.621 31.668 ( 0.532 2.492 7.349) 7.778 31.737 ( 0.056 0.138 -7.731) 7.732 31.970 ( -3.531 5.694 6.430) 9.287 32.057 ( 2.679 4.552 -7.445) 9.128 32.711 ( -6.768 -1.369 -5.915) 9.092 33.181 ( -9.393 -6.407 -2.127) 11.567 33.333 ( 4.653 0.085 1.176) 4.800 33.442 ( 3.522 4.531 -0.567) 5.767 33.848 ( 3.400 -2.096 5.026) 6.420 34.050 ( 4.038 -2.033 -4.714) 6.532 35.258 ( -3.242 -3.876 -6.168) 7.974 35.402 ( -3.559 -2.694 8.164) 9.305 35.600 ( -13.424 0.901 4.919) 14.325 36.095 ( -6.911 -6.655 -5.152) 10.890 ======================= Grid point 108 (55/72) ======================= q-point: ( 0.43 0.17 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -6.442 -7.554 2.860) 10.332 1.744 ( 5.167 -3.939 -1.636) 6.700 1.800 ( 2.843 -3.472 -9.414) 10.429 2.049 ( -6.531 -3.270 -7.796) 10.683 2.182 ( 0.152 -1.918 1.697) 2.566 2.342 ( -3.369 3.986 -3.917) 6.525 2.428 ( -3.404 -0.927 6.261) 7.187 2.600 ( 2.723 -0.072 -5.606) 6.233 2.659 ( 3.533 3.754 10.905) 12.062 2.738 ( -1.867 -2.240 4.365) 5.249 3.015 ( 4.816 -3.191 7.490) 9.459 3.131 ( 3.427 -0.243 -2.421) 4.203 3.194 ( 0.403 2.381 1.577) 2.884 3.228 ( 6.964 -4.851 -1.765) 8.668 3.306 ( 5.334 1.206 -2.124) 5.867 3.392 ( 0.236 11.656 5.535) 12.905 3.468 ( 1.177 3.727 4.749) 6.151 3.548 ( 6.669 -7.373 -7.170) 12.258 3.727 ( -0.593 11.246 4.245) 12.035 3.835 ( 5.361 2.578 -8.724) 10.559 3.944 ( 0.320 -1.947 -0.330) 2.000 4.024 ( -1.526 -0.112 2.500) 2.931 4.106 ( 7.551 -3.270 0.825) 8.269 4.176 ( -2.033 5.580 -3.946) 7.131 4.259 ( 6.010 1.478 -1.897) 6.473 4.402 ( -3.687 2.100 -0.599) 4.285 4.416 ( -0.018 -1.435 -3.068) 3.388 4.490 ( -0.203 -0.056 -0.873) 0.898 4.561 ( -2.503 -0.865 1.889) 3.253 4.662 ( -5.102 -2.246 0.586) 5.606 4.706 ( 2.603 -3.426 -5.642) 7.096 4.776 ( 3.556 -3.970 0.567) 5.360 4.872 ( 5.070 1.120 2.106) 5.603 4.926 ( 3.021 1.098 0.636) 3.276 5.001 ( -0.713 7.690 2.905) 8.251 5.116 ( -3.378 -1.475 4.077) 5.496 5.137 ( -1.545 -0.514 -1.326) 2.100 5.192 ( 1.821 2.157 -0.607) 2.887 5.342 ( -7.353 4.411 -5.966) 10.446 5.487 ( -2.571 -3.053 -4.894) 6.315 5.570 ( 6.901 1.443 -2.246) 7.399 5.610 ( -6.745 -0.366 5.181) 8.513 5.665 ( 0.369 5.990 0.610) 6.032 5.778 ( 1.086 4.425 -1.326) 4.745 6.071 ( -4.662 -0.204 2.758) 5.420 6.138 ( -2.088 -0.533 -3.217) 3.873 6.590 ( 3.466 -2.428 0.914) 4.330 6.620 ( -2.316 -2.446 2.963) 4.486 7.009 ( 0.783 -5.456 7.379) 9.211 7.130 ( -4.225 -1.437 4.286) 6.188 7.234 ( -1.165 1.992 -1.933) 3.011 7.278 ( 0.646 -6.110 -0.500) 6.165 7.448 ( 1.394 2.667 3.616) 4.704 7.501 ( -1.031 0.541 0.156) 1.175 7.617 ( -3.780 3.315 -1.383) 5.215 7.704 ( 0.051 -4.451 -6.166) 7.605 8.876 ( 2.245 -5.074 3.009) 6.312 8.890 ( -9.137 -3.235 10.172) 14.050 9.135 ( 3.784 4.874 -5.098) 8.004 9.272 ( -4.894 -1.418 -4.094) 6.536 9.653 ( -2.439 0.631 6.697) 7.156 9.856 ( -0.728 -0.661 -0.335) 1.039 9.907 ( 1.882 -5.054 -8.790) 10.313 9.968 ( -1.176 -2.335 -2.551) 3.653 10.185 ( 0.507 6.875 2.293) 7.265 10.266 ( -3.595 2.632 -1.704) 4.770 10.459 ( 1.070 -3.040 0.628) 3.284 10.493 ( -0.391 0.736 -0.564) 1.007 11.534 ( 2.105 -3.260 -0.386) 3.900 11.603 ( -1.305 -3.573 -2.189) 4.389 11.725 ( 1.575 2.722 1.849) 3.648 11.810 ( 0.017 2.542 -1.962) 3.211 12.284 ( 1.395 -1.368 -0.081) 1.956 12.308 ( -0.664 -0.821 0.420) 1.137 12.418 ( 0.222 -2.617 1.360) 2.957 12.472 ( -2.399 -1.893 -0.042) 3.056 13.729 ( -0.718 0.451 1.340) 1.586 13.753 ( 0.462 1.383 -0.934) 1.731 13.877 ( 1.995 -1.507 -0.879) 2.650 13.898 ( -0.541 -1.168 -0.151) 1.296 14.748 ( 2.106 -0.318 -0.458) 2.179 14.758 ( -1.031 -0.127 0.624) 1.212 15.074 ( 3.346 -0.874 0.902) 3.574 15.129 ( -0.035 -1.757 -0.201) 1.769 15.207 ( 2.085 0.185 3.651) 4.209 15.328 ( 2.078 2.054 -4.087) 5.024 15.339 ( 1.522 -1.081 3.497) 3.964 15.436 ( 1.594 -1.577 -3.568) 4.214 16.005 ( 3.827 -0.113 0.970) 3.950 16.094 ( -0.685 -1.159 -0.635) 1.489 16.207 ( 3.689 -2.486 -0.034) 4.448 16.268 ( -1.777 -3.098 -0.195) 3.577 16.843 ( 1.203 3.980 0.315) 4.170 16.921 ( -1.691 5.656 -2.486) 6.405 17.049 ( 1.691 2.105 0.328) 2.720 17.068 ( -0.056 2.081 0.298) 2.103 17.551 ( 1.105 -3.762 1.156) 4.087 17.608 ( -0.753 -2.706 -0.884) 2.945 17.918 ( 6.148 5.560 3.103) 8.851 18.043 ( -0.019 4.908 0.704) 4.958 20.686 ( -2.168 -1.143 -0.242) 2.462 20.720 ( -4.046 -1.037 -0.571) 4.216 20.995 ( -0.718 -0.802 0.257) 1.107 21.007 ( -0.622 -0.504 -0.234) 0.835 27.238 ( -0.838 -0.494 4.789) 4.887 27.334 ( 5.481 -3.184 -2.705) 6.892 27.594 ( 7.476 -1.232 11.167) 13.495 28.052 ( 5.082 -10.670 -10.183) 15.601 29.496 ( 1.164 1.395 0.566) 1.903 29.524 ( 1.016 1.164 -0.874) 1.775 29.755 ( 2.121 -1.538 2.764) 3.808 29.859 ( 2.984 -3.189 -3.589) 5.653 30.074 ( 1.097 5.815 1.304) 6.060 30.134 ( 0.244 3.947 -2.062) 4.460 30.562 ( -0.336 0.595 1.746) 1.875 30.632 ( -0.602 0.222 -1.922) 2.027 31.328 ( -0.649 3.718 7.767) 8.636 31.589 ( 0.759 1.476 1.131) 2.009 31.647 ( -1.585 -0.258 -6.942) 7.125 31.723 ( 0.551 2.501 0.132) 2.565 31.960 ( -3.773 7.177 12.081) 14.550 32.125 ( 8.091 4.313 -3.346) 9.760 32.552 ( -5.319 -0.241 -2.935) 6.079 32.894 ( -11.065 -1.589 -13.428) 17.472 33.438 ( 2.143 1.207 4.592) 5.209 33.510 ( 3.200 1.761 -0.881) 3.758 33.941 ( 0.923 -1.921 6.041) 6.406 34.078 ( 2.961 -1.163 -4.768) 5.732 35.175 ( -8.040 -2.780 6.206) 10.530 35.320 ( 1.063 2.883 -8.856) 9.374 35.550 ( -0.989 -5.904 11.946) 13.361 35.924 ( -4.345 -6.528 -8.923) 11.879 ======================= Grid point 109 (56/72) ======================= q-point: (-0.43 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -13.492 -8.425 10.252) 18.924 1.719 ( -14.548 4.838 -0.719) 15.348 1.850 ( 6.861 -5.235 -5.635) 10.307 1.917 ( 6.015 -2.425 0.998) 6.561 2.200 ( -1.687 -1.085 3.854) 4.344 2.241 ( -1.627 -1.713 -1.714) 2.918 2.426 ( -3.937 3.078 8.035) 9.463 2.593 ( -0.543 3.325 -3.910) 5.162 2.672 ( -5.686 -6.704 3.974) 9.647 2.838 ( 3.214 2.446 7.098) 8.167 3.023 ( -11.663 7.663 6.396) 15.351 3.064 ( -1.409 -6.327 -3.671) 7.449 3.187 ( -5.304 -2.128 1.450) 5.896 3.269 ( -3.964 -5.427 2.190) 7.068 3.340 ( 4.983 -0.468 -3.125) 5.900 3.411 ( 1.155 -1.819 -10.343) 10.566 3.526 ( -4.366 9.851 8.259) 13.576 3.628 ( -5.565 4.598 -4.651) 8.588 3.676 ( -1.770 2.645 -6.371) 7.122 3.762 ( -0.128 1.069 0.053) 1.078 3.961 ( 1.111 2.157 2.918) 3.795 3.970 ( 2.115 0.464 0.879) 2.337 4.121 ( -4.354 -0.406 1.149) 4.521 4.199 ( -0.986 2.887 -1.096) 3.241 4.264 ( -10.511 2.092 -3.979) 11.432 4.353 ( -1.541 3.618 -1.368) 4.164 4.430 ( 7.364 4.578 -1.394) 8.782 4.491 ( 9.846 -1.185 -1.922) 10.102 4.545 ( -4.381 0.861 2.241) 4.996 4.641 ( 2.749 -2.874 1.764) 4.351 4.735 ( 1.938 -3.074 -1.816) 4.062 4.786 ( 1.904 -3.219 -4.923) 6.183 4.954 ( -3.528 0.446 -1.028) 3.702 4.970 ( -2.656 -0.349 0.393) 2.707 5.032 ( 0.569 -1.257 -3.508) 3.770 5.068 ( 5.183 -2.648 5.355) 7.909 5.167 ( -1.680 1.590 -5.582) 6.043 5.198 ( 8.704 4.983 0.678) 10.053 5.319 ( 1.070 2.666 5.764) 6.440 5.367 ( -2.448 2.636 -4.195) 5.527 5.467 ( -8.074 1.654 4.362) 9.325 5.690 ( 7.223 -0.437 -0.374) 7.246 5.740 ( 0.356 1.791 -1.653) 2.463 5.747 ( -1.026 3.654 -0.127) 3.797 6.035 ( -1.995 -0.733 4.114) 4.631 6.134 ( 3.997 0.658 -2.250) 4.634 6.584 ( -1.852 -2.032 1.459) 3.112 6.681 ( 4.533 -3.350 -1.955) 5.966 7.074 ( -2.968 -7.622 10.110) 13.005 7.127 ( -1.792 -3.616 0.335) 4.049 7.165 ( 1.399 0.057 0.202) 1.415 7.307 ( 5.413 -3.063 -4.899) 7.917 7.478 ( -2.436 0.733 1.938) 3.198 7.542 ( 2.196 6.846 0.274) 7.195 7.578 ( 0.086 0.243 3.093) 3.104 7.658 ( 1.934 -3.351 -6.184) 7.295 8.792 ( -7.824 -1.210 8.777) 11.820 8.978 ( 4.978 -5.772 3.752) 8.495 9.156 ( -1.632 1.298 -4.757) 5.194 9.235 ( 7.707 2.698 -2.758) 8.618 9.673 ( -1.197 -1.006 7.435) 7.597 9.825 ( 1.039 -0.459 -4.905) 5.035 9.923 ( -1.116 -1.615 -3.481) 3.997 9.935 ( 4.113 -5.412 -2.051) 7.100 10.168 ( -3.915 4.835 3.392) 7.086 10.265 ( 3.951 7.152 -1.109) 8.246 10.487 ( 1.623 -2.705 -1.065) 3.329 10.500 ( 2.206 -0.724 -1.566) 2.801 11.534 ( -2.567 -2.972 0.135) 3.930 11.583 ( 1.312 -4.305 -1.323) 4.691 11.753 ( -0.715 2.695 1.676) 3.253 11.787 ( -0.155 3.472 -1.976) 3.998 12.275 ( -2.094 -0.430 0.663) 2.238 12.312 ( 0.897 -1.589 0.089) 1.827 12.442 ( -0.130 -2.153 -0.787) 2.296 12.463 ( 2.729 -2.563 0.903) 3.851 13.723 ( -0.641 1.210 1.170) 1.801 13.763 ( 1.190 0.511 -1.150) 1.732 13.867 ( -2.026 -1.247 -0.003) 2.379 13.906 ( 1.095 -1.421 -0.827) 1.975 14.731 ( -2.280 -0.443 0.829) 2.466 14.773 ( 0.906 -0.354 -0.478) 1.084 15.099 ( -2.848 -1.220 -1.216) 3.328 15.102 ( -1.282 -2.200 1.666) 3.043 15.243 ( -0.674 2.524 3.342) 4.243 15.309 ( -0.956 -0.159 -4.155) 4.267 15.366 ( -0.485 -0.908 2.004) 2.253 15.424 ( -0.462 -0.845 -3.943) 4.059 16.037 ( -3.971 -1.659 -1.620) 4.599 16.066 ( 1.155 -0.230 1.538) 1.937 16.197 ( -5.097 -2.774 0.463) 5.822 16.254 ( 0.137 -2.403 1.227) 2.702 16.862 ( -0.609 4.194 0.103) 4.239 16.883 ( 0.178 5.099 -0.781) 5.162 17.047 ( -1.572 2.098 0.451) 2.660 17.081 ( 1.347 1.547 -0.730) 2.177 17.559 ( -1.564 -2.578 0.547) 3.064 17.608 ( 2.058 -2.905 -0.862) 3.663 17.975 ( -5.357 5.385 -1.609) 7.765 18.038 ( 2.944 4.199 1.281) 5.286 20.686 ( 1.341 -1.487 -0.155) 2.008 20.707 ( 3.966 -0.899 0.368) 4.083 21.001 ( 0.919 -0.760 -0.654) 1.360 21.022 ( 2.858 -1.057 -1.100) 3.239 27.235 ( -3.635 0.228 4.759) 5.993 27.357 ( 0.848 -1.877 -5.528) 5.899 27.765 ( -0.877 -5.565 12.932) 14.106 27.956 ( -3.959 -11.211 -17.075) 20.807 29.506 ( -0.734 1.342 0.621) 1.651 29.514 ( -1.171 1.386 -0.935) 2.041 29.778 ( -2.337 -1.696 3.338) 4.414 29.829 ( -2.665 -3.928 -3.674) 6.003 30.106 ( 0.854 5.445 -0.590) 5.543 30.122 ( 0.937 4.401 -2.433) 5.115 30.585 ( 0.990 0.537 1.891) 2.201 30.612 ( 0.493 0.997 -2.451) 2.691 31.388 ( -0.851 4.366 10.854) 11.730 31.509 ( -2.740 1.804 -7.289) 7.993 31.659 ( -0.174 -0.864 3.080) 3.204 31.683 ( -1.914 0.166 -2.470) 3.129 31.982 ( -5.034 6.330 9.693) 12.624 32.253 ( 7.919 5.243 -8.927) 13.034 32.533 ( -0.535 -0.732 9.508) 9.551 32.664 ( 1.496 3.386 -7.029) 7.944 33.449 ( -4.161 2.326 3.319) 5.809 33.538 ( 0.873 0.176 -2.608) 2.756 33.968 ( -2.250 -1.667 5.027) 5.755 34.083 ( 1.522 -2.366 -6.359) 6.954 35.031 ( -10.996 1.090 10.023) 14.919 35.409 ( 12.811 0.239 -8.383) 15.311 35.670 ( 3.120 -8.174 11.300) 14.291 35.825 ( 2.863 -4.465 -9.985) 11.306 ======================= Grid point 110 (57/72) ======================= q-point: (-0.29 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( -14.390 -4.172 18.671) 23.939 1.461 ( -13.578 11.836 9.931) 20.568 1.905 ( 2.204 -4.537 -4.122) 6.514 2.055 ( 2.491 -8.644 1.746) 9.164 2.145 ( -3.400 -1.049 0.412) 3.582 2.245 ( -6.489 -1.640 5.802) 8.858 2.370 ( -7.729 2.876 12.068) 14.617 2.508 ( -6.685 5.228 3.500) 9.180 2.602 ( -1.636 -6.681 -5.014) 8.512 2.778 ( -15.421 10.809 8.544) 20.679 2.839 ( -9.366 1.508 4.609) 10.547 3.006 ( -13.299 -1.910 2.446) 13.656 3.016 ( -1.464 -9.102 -7.121) 11.649 3.190 ( -4.085 -9.009 0.947) 9.937 3.246 ( -3.693 0.877 -12.439) 13.005 3.296 ( -7.644 -2.758 -0.909) 8.177 3.512 ( 0.427 5.418 2.036) 5.804 3.535 ( 3.266 1.997 -2.664) 4.664 3.589 ( -2.512 5.144 -0.153) 5.727 3.842 ( 1.038 0.405 1.872) 2.178 3.955 ( -4.438 1.666 -3.878) 6.124 3.998 ( 0.409 -0.396 -4.817) 4.851 4.059 ( 0.381 7.184 4.556) 8.515 4.166 ( 2.781 2.188 -0.244) 3.547 4.184 ( 2.724 1.171 -1.501) 3.323 4.330 ( -2.249 -2.584 3.590) 4.962 4.496 ( -1.566 4.478 1.829) 5.085 4.546 ( 6.015 3.625 -0.262) 7.027 4.615 ( 0.230 -4.034 -0.808) 4.120 4.631 ( -3.083 -1.574 -4.417) 5.612 4.698 ( -5.479 -2.500 -3.617) 7.025 4.791 ( 4.650 0.346 -3.424) 5.784 4.892 ( 2.392 -1.502 -1.699) 3.296 4.970 ( 1.963 4.009 -2.931) 5.340 5.061 ( -1.243 3.490 6.872) 7.807 5.097 ( -3.594 3.518 -4.492) 6.743 5.154 ( 1.533 -0.636 2.761) 3.221 5.237 ( 2.324 0.553 -5.176) 5.701 5.358 ( -1.997 4.456 -1.531) 5.118 5.402 ( 1.624 -0.142 3.557) 3.913 5.457 ( 5.723 7.837 4.197) 10.573 5.629 ( -4.501 -0.692 -6.224) 7.712 5.732 ( -1.785 2.953 -0.736) 3.529 5.856 ( 6.267 -1.055 2.060) 6.681 6.076 ( 2.640 -2.686 4.744) 6.057 6.222 ( 5.188 -0.513 -0.341) 5.225 6.581 ( 0.733 -0.790 0.710) 1.291 6.701 ( -0.581 -2.704 -2.315) 3.607 7.047 ( -1.533 -5.800 -3.107) 6.756 7.110 ( -0.939 -8.879 7.661) 11.765 7.244 ( 2.798 -2.775 0.807) 4.023 7.394 ( 1.392 3.524 0.315) 3.802 7.403 ( -2.497 0.832 -3.268) 4.196 7.519 ( 0.378 -0.200 -1.491) 1.551 7.702 ( 8.187 2.119 2.745) 8.891 7.723 ( 6.999 -0.783 0.554) 7.064 8.754 ( -3.600 -0.495 10.157) 10.788 9.087 ( 2.012 1.931 0.594) 2.851 9.126 ( 3.901 -6.536 -2.265) 7.941 9.382 ( 7.721 2.734 -0.615) 8.214 9.718 ( 1.720 -3.108 2.570) 4.384 9.844 ( 2.638 -0.092 -0.695) 2.729 9.881 ( -0.726 0.832 -1.732) 2.054 9.980 ( 0.770 -4.819 -1.481) 5.099 10.150 ( 1.278 2.442 2.951) 4.038 10.370 ( 7.632 5.844 -0.849) 9.650 10.512 ( 2.704 -3.186 -2.738) 4.996 10.543 ( 3.591 -0.900 -1.506) 3.996 11.477 ( -3.060 -1.682 -0.045) 3.492 11.591 ( -0.894 -4.515 1.265) 4.773 11.717 ( -2.001 2.224 -2.125) 3.670 11.785 ( -0.177 2.833 0.423) 2.870 12.252 ( -0.894 -0.611 1.005) 1.478 12.313 ( -0.361 -2.552 -0.793) 2.696 12.459 ( 2.374 -1.671 -0.708) 2.988 12.520 ( 2.479 -2.340 0.431) 3.436 13.728 ( 0.535 2.158 0.506) 2.280 13.774 ( 0.630 0.424 -0.473) 0.894 13.829 ( -1.499 -0.527 -0.292) 1.616 13.903 ( -0.969 -0.807 -0.703) 1.444 14.687 ( -2.842 -0.544 0.585) 2.952 14.775 ( -0.339 0.663 -0.543) 0.922 14.995 ( -6.957 -1.974 -1.204) 7.331 15.078 ( -2.278 -4.344 2.646) 5.573 15.198 ( -7.038 -1.973 -4.227) 8.444 15.254 ( -0.365 2.895 0.122) 2.921 15.327 ( -5.012 -1.275 -2.844) 5.902 15.375 ( -1.324 0.179 0.359) 1.383 15.931 ( -5.419 -1.763 -1.575) 5.912 16.057 ( -3.309 0.119 0.888) 3.428 16.103 ( -4.990 -2.311 1.229) 5.635 16.225 ( -4.375 -1.973 2.254) 5.302 16.849 ( 0.384 3.230 -0.972) 3.395 16.875 ( -2.446 4.768 2.553) 5.935 17.028 ( -0.132 3.689 -0.192) 3.696 17.097 ( 1.206 1.145 -1.960) 2.571 17.533 ( -1.189 -4.493 -0.301) 4.657 17.624 ( -0.414 -4.340 -1.337) 4.560 17.864 ( -3.184 6.357 -2.441) 7.518 18.020 ( -4.536 3.283 -2.256) 6.037 20.757 ( 5.444 0.111 0.551) 5.473 20.828 ( 7.346 0.393 0.435) 7.370 21.028 ( 2.848 0.015 -0.130) 2.851 21.086 ( 5.096 -1.450 -2.144) 5.716 27.166 ( -6.736 0.335 2.666) 7.252 27.308 ( -0.955 -2.061 -4.950) 5.447 27.574 ( -16.798 -8.786 -15.655) 24.586 27.807 ( -7.175 -5.519 5.574) 10.631 29.469 ( -2.409 1.291 -0.603) 2.799 29.484 ( -2.003 1.158 0.274) 2.330 29.718 ( -5.686 -2.318 -2.520) 6.637 29.722 ( -5.773 -1.118 2.329) 6.325 30.104 ( 0.855 3.817 -2.032) 4.408 30.124 ( 0.335 6.376 -1.552) 6.571 30.609 ( 1.690 0.577 -1.646) 2.429 30.626 ( 1.103 0.768 1.131) 1.757 31.415 ( -1.667 2.342 -3.768) 4.739 31.453 ( -2.336 4.354 10.212) 11.344 31.594 ( -3.321 -0.866 -1.485) 3.740 31.694 ( -0.499 0.599 3.149) 3.244 31.919 ( -5.795 5.393 5.471) 9.623 32.257 ( 3.986 3.914 -15.594) 16.564 32.579 ( 3.508 -1.225 5.772) 6.865 32.964 ( 17.543 1.161 15.517) 23.449 33.354 ( -6.797 1.280 0.542) 6.938 33.499 ( -1.762 0.821 -3.950) 4.403 33.946 ( -3.611 -2.252 3.513) 5.519 34.013 ( -2.874 -3.209 -8.539) 9.564 34.971 ( -4.511 2.938 14.038) 15.035 35.590 ( 8.694 -4.799 -4.519) 10.910 35.775 ( 9.062 -3.358 -7.490) 12.227 35.960 ( 11.526 -4.784 4.806) 13.373 ======================= Grid point 111 (58/72) ======================= q-point: (-0.14 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( -11.045 6.351 20.127) 23.821 1.308 ( -13.305 2.575 23.457) 27.090 1.888 ( -3.290 -5.208 3.041) 6.870 1.932 ( -9.601 1.686 -5.232) 11.063 1.978 ( -9.375 2.362 2.244) 9.925 2.243 ( 1.010 -3.562 6.937) 7.863 2.327 ( -5.712 -1.356 -2.173) 6.259 2.462 ( -3.083 1.579 9.169) 9.801 2.477 ( -7.585 -2.005 0.163) 7.847 2.612 ( -7.428 0.120 2.704) 7.906 2.656 ( -6.906 5.940 -2.240) 9.380 2.869 ( -3.376 -5.968 3.732) 7.807 2.961 ( -3.697 -4.467 13.896) 15.057 3.081 ( -2.248 -4.792 -12.681) 13.741 3.175 ( -3.684 1.835 -0.305) 4.127 3.227 ( 6.139 -11.267 -6.696) 14.473 3.458 ( -6.364 5.886 1.243) 8.758 3.547 ( -1.501 4.174 9.714) 10.679 3.672 ( 7.783 -0.844 -7.155) 10.606 3.830 ( -1.088 -6.856 -4.940) 8.520 3.880 ( 1.850 3.068 -3.354) 4.908 4.003 ( 3.562 -1.486 -6.308) 7.395 4.106 ( 1.383 7.095 1.454) 7.374 4.222 ( -6.245 3.349 -1.690) 7.285 4.245 ( 2.691 -4.614 -2.944) 6.099 4.273 ( 2.478 7.760 0.288) 8.152 4.447 ( -3.997 4.642 -1.611) 6.334 4.494 ( -7.448 0.374 4.317) 8.616 4.551 ( -0.853 -3.527 -0.578) 3.675 4.656 ( 3.244 1.662 4.575) 5.850 4.713 ( 7.500 0.183 -0.962) 7.564 4.859 ( 3.246 1.109 -0.815) 3.526 4.926 ( -1.903 -2.639 2.378) 4.029 4.960 ( 0.391 8.142 -5.082) 9.605 5.041 ( -3.612 2.450 2.550) 5.054 5.072 ( 2.370 2.133 -5.786) 6.606 5.140 ( 1.526 9.862 0.736) 10.007 5.265 ( 0.188 -4.673 -5.307) 7.074 5.291 ( -1.877 8.550 -1.534) 8.887 5.433 ( -3.539 1.961 -2.972) 5.020 5.474 ( -0.584 -3.735 -5.273) 6.488 5.580 ( 1.933 4.456 2.891) 5.652 5.720 ( 2.252 5.052 -1.337) 5.691 5.910 ( -2.047 -0.466 2.234) 3.066 6.178 ( 3.943 -2.282 3.098) 5.509 6.297 ( 2.057 -2.862 1.035) 3.673 6.615 ( 0.928 -0.303 2.385) 2.577 6.660 ( -1.596 0.005 -0.336) 1.631 7.024 ( 0.980 -5.072 -1.311) 5.329 7.159 ( 0.639 -5.425 2.777) 6.128 7.265 ( -1.973 -1.415 0.527) 2.485 7.345 ( -0.350 -2.116 5.387) 5.798 7.382 ( -0.258 2.714 -4.333) 5.119 7.546 ( 0.946 0.023 -0.144) 0.957 7.850 ( 8.449 -3.442 -1.029) 9.181 7.935 ( 8.604 -2.477 2.345) 9.256 8.802 ( -0.996 -0.658 11.647) 11.708 9.103 ( 4.292 3.428 -7.690) 9.450 9.223 ( 2.371 -8.093 6.945) 10.925 9.480 ( 3.747 1.381 -3.123) 5.069 9.762 ( 1.540 -2.457 -0.863) 3.026 9.845 ( -2.002 0.922 -0.395) 2.239 9.886 ( 0.428 -0.922 -0.622) 1.192 9.948 ( -0.818 -1.957 -2.050) 2.950 10.312 ( 12.378 -3.038 2.421) 12.973 10.493 ( 4.837 1.594 -1.749) 5.385 10.534 ( 0.769 -3.377 0.097) 3.464 10.635 ( 6.847 -0.574 -1.895) 7.128 11.431 ( -1.392 0.183 0.890) 1.662 11.568 ( -2.931 -3.026 2.857) 5.090 11.666 ( -0.580 1.558 -3.485) 3.861 11.752 ( -3.658 -0.494 -2.603) 4.517 12.253 ( -0.103 -0.675 1.177) 1.361 12.296 ( 0.022 -1.932 -1.635) 2.531 12.510 ( 2.937 -1.654 0.302) 3.384 12.557 ( 1.006 -2.556 0.379) 2.773 13.747 ( 0.867 2.013 0.159) 2.197 13.783 ( 0.467 1.377 0.600) 1.573 13.810 ( -0.143 0.643 -1.282) 1.441 13.862 ( -2.288 0.264 -0.680) 2.401 14.647 ( -0.894 -1.102 -0.232) 1.438 14.752 ( -1.117 2.326 -0.813) 2.706 14.824 ( -9.859 -3.769 -1.268) 10.630 14.960 ( -12.242 -0.291 -3.049) 12.620 15.072 ( -0.422 -4.810 2.416) 5.399 15.190 ( -4.928 -2.119 -2.137) 5.774 15.269 ( 1.075 0.545 0.517) 1.312 15.346 ( -2.692 0.167 1.296) 2.993 15.838 ( -3.048 0.323 0.493) 3.104 15.963 ( -5.967 1.796 -0.828) 6.286 16.039 ( -2.481 -1.903 2.148) 3.794 16.147 ( -4.676 -1.302 1.358) 5.040 16.843 ( -2.093 1.573 4.942) 5.592 16.879 ( 2.209 3.586 -0.664) 4.264 17.018 ( -1.154 4.490 -1.529) 4.881 17.084 ( -0.293 0.687 -4.147) 4.214 17.507 ( -1.105 -4.782 -0.401) 4.925 17.557 ( -4.419 -5.900 -1.887) 7.609 17.829 ( 0.262 6.633 -1.212) 6.748 17.895 ( -4.533 6.733 -1.405) 8.237 20.866 ( 4.770 2.375 0.548) 5.357 20.933 ( 3.383 2.441 -1.660) 4.490 21.127 ( 5.310 -0.929 2.979) 6.159 21.176 ( 5.684 -1.655 -2.318) 6.357 27.018 ( -8.951 -0.954 -2.246) 9.278 27.131 ( -13.503 2.864 -4.813) 14.619 27.303 ( 1.378 -3.538 -0.575) 3.840 27.654 ( -11.481 -4.945 2.219) 12.696 29.424 ( -1.587 1.197 -0.252) 2.004 29.445 ( -1.965 0.882 -0.141) 2.159 29.603 ( -4.003 -0.215 -0.717) 4.072 29.628 ( -5.009 -0.081 1.242) 5.161 30.110 ( 0.517 4.391 -1.057) 4.546 30.114 ( 0.414 5.468 -1.539) 5.695 30.636 ( 2.123 0.393 -1.322) 2.532 30.647 ( 0.057 0.380 1.133) 1.196 31.373 ( -0.183 2.453 -2.364) 3.411 31.432 ( -4.253 3.357 1.278) 5.567 31.563 ( -3.168 1.435 9.208) 9.843 31.706 ( 0.258 0.149 1.473) 1.503 31.898 ( -1.792 4.665 7.858) 9.313 32.215 ( 3.568 4.400 -13.556) 14.692 32.729 ( 5.759 -1.283 8.149) 10.061 33.214 ( -7.157 0.637 -1.972) 7.451 33.351 ( 7.291 -5.264 3.730) 9.736 33.469 ( 6.686 -1.215 -4.127) 7.950 33.843 ( -4.741 -2.927 -5.441) 7.788 33.919 ( -3.546 -2.166 1.604) 4.454 35.067 ( 0.807 2.538 17.437) 17.639 35.626 ( 1.794 -7.302 -8.390) 11.266 35.960 ( 12.407 -1.026 -3.163) 12.845 36.199 ( 8.878 -6.402 -1.060) 10.997 ======================= Grid point 112 (59/72) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 1.057 3.153 14.234) 14.618 1.493 ( 1.462 8.113 6.261) 10.352 1.719 ( 0.233 -1.520 -1.918) 2.458 1.837 ( 1.895 -1.387 -12.116) 12.341 1.967 ( -0.344 1.264 4.901) 5.073 2.129 ( 1.353 -0.246 -8.302) 8.415 2.274 ( 0.159 -3.151 2.071) 3.774 2.324 ( 2.083 -4.922 -2.411) 5.863 2.459 ( -5.926 -5.059 7.482) 10.802 2.495 ( 1.048 -3.635 4.451) 5.842 2.597 ( 3.465 -9.967 0.976) 10.597 2.676 ( 1.112 3.335 -8.469) 9.169 2.947 ( -0.412 -3.780 3.942) 5.477 3.051 ( 5.705 -9.630 -5.094) 12.298 3.090 ( -1.503 1.986 1.148) 2.742 3.144 ( -0.360 -0.100 -2.859) 2.883 3.513 ( -8.143 9.677 14.583) 19.303 3.642 ( 1.212 0.042 3.960) 4.142 3.681 ( 2.192 -0.952 6.482) 6.909 3.798 ( 1.293 8.346 -5.403) 10.026 3.880 ( -4.826 -4.107 -7.306) 9.671 3.973 ( 2.848 4.629 -11.430) 12.657 4.113 ( 0.706 1.934 3.450) 4.017 4.197 ( 1.593 -0.460 -0.572) 1.754 4.241 ( -5.501 2.079 5.697) 8.188 4.386 ( -0.664 -0.939 -0.663) 1.327 4.484 ( -0.834 1.429 -2.143) 2.708 4.518 ( 2.576 -1.823 -0.079) 3.157 4.596 ( -0.181 5.505 0.151) 5.510 4.682 ( -2.046 -0.911 -3.677) 4.305 4.748 ( 0.309 -3.156 3.467) 4.698 4.877 ( 0.272 -4.418 -5.115) 6.764 4.911 ( 0.962 1.898 0.094) 2.130 4.996 ( 0.585 1.275 0.528) 1.498 5.016 ( -3.226 1.693 1.313) 3.873 5.129 ( -2.494 0.639 -1.880) 3.188 5.245 ( 1.831 3.826 2.752) 5.056 5.329 ( -1.883 6.026 4.888) 7.984 5.368 ( 2.500 1.727 -5.388) 6.186 5.419 ( 3.510 3.236 -2.045) 5.194 5.618 ( 1.763 9.323 4.719) 10.597 5.755 ( -1.078 11.622 -3.935) 12.318 5.875 ( 0.084 3.482 3.315) 4.808 5.899 ( -1.003 2.915 2.026) 3.689 6.187 ( 0.802 -3.178 4.071) 5.227 6.237 ( -1.392 -3.093 -0.431) 3.419 6.614 ( 0.438 -2.240 1.838) 2.930 6.630 ( -1.202 -1.843 0.125) 2.204 7.007 ( 4.278 -2.106 2.451) 5.361 7.061 ( -0.953 -3.674 -1.079) 3.946 7.251 ( -1.849 -0.104 8.216) 8.422 7.316 ( -2.448 -2.306 6.966) 7.735 7.418 ( 0.512 2.623 -5.074) 5.735 7.527 ( 1.290 -0.233 -8.826) 8.923 7.815 ( -2.762 -9.224 -1.605) 9.761 7.833 ( 1.972 -7.449 -2.788) 8.195 8.865 ( -2.415 0.945 8.799) 9.173 9.037 ( -0.437 -7.409 -2.116) 7.718 9.268 ( 0.095 3.337 2.397) 4.110 9.427 ( -0.143 -3.318 -7.232) 7.958 9.738 ( 1.345 -0.527 0.563) 1.550 9.782 ( -1.574 -1.952 -3.808) 4.559 9.859 ( 1.967 0.229 -0.213) 1.992 9.917 ( 2.115 -1.981 -5.257) 6.003 10.407 ( 0.485 -1.211 5.284) 5.443 10.495 ( -1.373 -3.436 2.606) 4.526 10.541 ( 0.211 0.783 -2.425) 2.557 10.631 ( 0.377 -2.634 -5.357) 5.982 11.481 ( 1.131 0.272 2.610) 2.858 11.507 ( 0.352 -1.210 1.005) 1.612 11.640 ( -2.587 1.217 -1.354) 3.164 11.663 ( 1.265 0.112 -2.668) 2.955 12.239 ( -0.841 -0.506 0.469) 1.088 12.263 ( 0.299 -1.567 -1.615) 2.270 12.515 ( -0.681 -1.152 0.723) 1.521 12.525 ( 0.978 -1.195 -0.043) 1.545 13.793 ( 0.116 1.526 0.816) 1.734 13.811 ( -0.763 1.130 -0.575) 1.480 13.832 ( 0.330 1.027 0.541) 1.207 13.848 ( -0.114 0.272 -0.672) 0.734 14.648 ( -2.286 -0.177 0.214) 2.303 14.656 ( 2.306 -0.187 -0.501) 2.367 14.793 ( -1.391 0.286 0.331) 1.458 14.805 ( 1.563 0.402 -0.666) 1.746 15.026 ( 1.980 -2.360 1.497) 3.425 15.046 ( -1.838 -2.651 -0.229) 3.234 15.291 ( 0.264 0.428 0.151) 0.525 15.323 ( 1.523 -0.693 -2.350) 2.884 15.892 ( 2.786 3.023 1.387) 4.339 15.926 ( -2.271 3.087 -1.417) 4.086 16.010 ( 0.452 -2.138 2.833) 3.578 16.051 ( -0.731 -2.415 -0.597) 2.593 16.881 ( -0.962 1.000 3.880) 4.121 16.929 ( 0.050 -0.781 -0.019) 0.783 17.054 ( 1.073 2.693 -1.370) 3.207 17.069 ( -1.015 2.031 -2.798) 3.603 17.418 ( -0.315 -1.867 0.833) 2.069 17.440 ( 0.765 -2.600 -1.130) 2.937 17.948 ( -1.530 5.106 1.286) 5.483 17.976 ( 0.525 4.128 -1.191) 4.328 20.995 ( -0.171 3.600 0.817) 3.696 21.020 ( 0.089 3.855 -1.484) 4.132 21.147 ( -1.502 -2.450 1.889) 3.439 21.187 ( 1.502 -3.025 -1.649) 3.758 27.017 ( 4.520 4.915 1.267) 6.797 27.051 ( -4.962 5.232 -1.808) 7.434 27.298 ( 7.667 -6.448 2.093) 10.234 27.341 ( -7.099 -6.465 -1.767) 9.763 29.434 ( 0.255 0.898 -0.018) 0.934 29.437 ( -0.107 0.794 -0.273) 0.847 29.578 ( -0.077 0.373 0.437) 0.580 29.582 ( -0.007 0.262 0.130) 0.293 30.191 ( 0.064 3.272 -0.256) 3.282 30.205 ( 0.578 3.114 -1.454) 3.485 30.655 ( -0.874 0.920 -0.077) 1.271 30.667 ( 0.857 0.290 -0.957) 1.317 31.402 ( -3.503 3.064 3.256) 5.680 31.456 ( 1.384 1.557 -0.602) 2.169 31.626 ( -1.626 2.575 5.919) 6.657 31.712 ( 1.714 -1.142 -0.923) 2.257 32.085 ( -1.486 8.618 10.058) 13.328 32.286 ( 1.385 3.723 -5.858) 7.078 32.852 ( 2.746 -1.964 6.234) 7.090 33.027 ( -2.432 -4.819 -7.836) 9.515 33.353 ( -1.730 2.487 3.225) 4.425 33.478 ( 3.562 -1.299 -6.441) 7.473 33.721 ( -1.431 -4.650 1.506) 5.093 33.785 ( 1.717 -5.884 -3.335) 6.978 35.235 ( -1.171 1.630 12.169) 12.333 35.417 ( -2.595 -6.885 -1.694) 7.551 36.041 ( -0.762 -0.813 -1.065) 1.542 36.140 ( 3.276 -4.676 -8.632) 10.350 ======================= Grid point 113 (60/72) ======================= q-point: ( 0.14 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 1.826 -4.061 8.559) 9.648 1.594 ( 3.722 -2.352 -5.934) 7.389 1.778 ( 4.831 2.590 -8.737) 10.314 1.871 ( 11.363 -1.085 -0.396) 11.422 2.053 ( 5.693 -0.212 5.955) 8.241 2.104 ( 2.498 -2.220 -9.294) 9.876 2.355 ( 11.390 0.893 -0.891) 11.460 2.451 ( 3.368 -0.383 2.885) 4.451 2.514 ( 11.470 -3.765 2.207) 12.272 2.586 ( 5.546 -0.910 4.422) 7.151 2.667 ( 4.490 5.027 -5.796) 8.889 2.785 ( 13.578 -11.223 -3.951) 18.053 2.927 ( -2.388 -5.303 -0.760) 5.865 3.081 ( 2.189 -9.505 -4.845) 10.891 3.141 ( 4.498 2.144 -2.506) 5.578 3.169 ( 5.482 1.666 1.647) 5.962 3.491 ( -6.521 7.917 11.647) 15.520 3.642 ( -5.044 -2.269 -0.030) 5.531 3.677 ( -0.833 0.877 7.407) 7.506 3.815 ( 1.404 -2.680 -1.451) 3.355 3.818 ( -1.859 6.872 -2.350) 7.497 3.905 ( 3.468 3.824 -3.372) 6.166 4.105 ( -8.270 5.898 1.667) 10.294 4.218 ( 2.401 1.088 -2.003) 3.311 4.259 ( 5.996 4.027 3.364) 7.968 4.408 ( 0.956 0.317 2.689) 2.871 4.485 ( 1.942 -0.577 -1.351) 2.435 4.518 ( -4.196 1.613 -0.573) 4.531 4.561 ( 0.286 -1.253 1.730) 2.155 4.647 ( -0.857 -3.196 -2.433) 4.107 4.786 ( -4.003 -4.159 -1.547) 5.977 4.812 ( 2.918 -5.602 0.739) 6.360 4.885 ( -4.127 4.172 2.720) 6.468 4.966 ( -0.335 3.832 -2.411) 4.540 5.059 ( -2.068 2.257 2.995) 4.282 5.104 ( 1.842 -1.499 1.595) 2.860 5.237 ( -3.704 4.325 1.734) 5.953 5.295 ( -1.402 5.249 -2.012) 5.793 5.388 ( 2.972 1.837 -4.025) 5.330 5.493 ( 3.736 1.594 -1.997) 4.526 5.647 ( -0.469 10.904 0.557) 10.928 5.738 ( 1.273 6.873 0.908) 7.048 5.815 ( -6.585 4.166 3.341) 8.478 5.942 ( 3.135 3.622 -3.038) 5.672 6.179 ( -3.276 -3.525 -0.642) 4.855 6.221 ( -0.944 -2.737 3.265) 4.364 6.587 ( -3.556 -2.000 2.241) 4.655 6.626 ( -1.430 -1.248 0.492) 1.960 6.970 ( -3.953 -1.093 -4.022) 5.744 7.084 ( 1.707 -4.375 -0.925) 4.787 7.272 ( -4.007 1.169 6.554) 7.771 7.313 ( -0.894 1.713 6.224) 6.517 7.419 ( 0.106 -0.108 -4.185) 4.188 7.507 ( 4.468 -5.277 -4.460) 8.228 7.698 ( -6.481 -4.570 0.631) 7.956 7.828 ( -2.347 -6.975 -0.944) 7.420 8.844 ( -5.521 0.400 7.160) 9.050 8.967 ( -5.134 -5.799 -0.141) 7.747 9.266 ( -1.994 2.050 1.347) 3.161 9.379 ( -0.316 -3.132 -4.215) 5.261 9.721 ( -2.081 0.218 -1.744) 2.724 9.787 ( 2.220 -2.001 0.785) 3.090 9.908 ( 2.043 -0.836 -4.651) 5.148 9.928 ( 4.568 -1.502 -2.540) 5.438 10.400 ( -5.340 1.827 0.856) 5.708 10.425 ( -3.376 -1.499 0.745) 3.768 10.480 ( -6.557 -1.754 1.769) 7.014 10.575 ( -2.433 -3.054 -1.937) 4.359 11.470 ( -0.615 0.651 -1.176) 1.478 11.551 ( 1.808 -3.132 -1.006) 3.754 11.649 ( 2.832 2.676 1.306) 4.109 11.716 ( 5.066 -0.624 -0.137) 5.106 12.226 ( -0.866 -1.007 1.273) 1.840 12.247 ( -0.764 -1.653 -0.542) 1.900 12.488 ( -2.457 -0.397 0.175) 2.495 12.522 ( -1.117 -1.699 -0.432) 2.079 13.781 ( -1.317 1.631 0.691) 2.207 13.804 ( -0.205 1.226 -0.380) 1.300 13.833 ( -0.315 0.610 -0.248) 0.730 13.855 ( 0.884 -0.326 0.241) 0.972 14.647 ( 2.312 0.949 -0.146) 2.504 14.727 ( 4.174 -2.026 0.997) 4.746 14.801 ( 3.691 1.890 -0.322) 4.159 14.911 ( 6.085 -3.128 -0.429) 6.855 15.049 ( 2.640 -0.271 -0.851) 2.787 15.103 ( 5.115 -1.965 1.512) 5.684 15.313 ( 2.477 1.278 -1.189) 3.030 15.365 ( 3.939 -1.860 -3.019) 5.300 15.911 ( 1.844 2.598 -1.948) 3.735 15.986 ( 5.357 1.789 0.953) 5.728 16.010 ( 0.573 -1.925 0.807) 2.165 16.115 ( 4.635 -2.798 0.530) 5.440 16.884 ( -0.192 2.023 1.481) 2.514 16.972 ( 3.141 -1.171 1.134) 3.539 17.048 ( 1.125 3.721 -2.157) 4.446 17.091 ( 2.419 2.610 0.319) 3.574 17.426 ( 0.526 -1.898 0.385) 2.007 17.459 ( 2.315 -3.347 -1.020) 4.196 17.925 ( -1.435 5.730 1.541) 6.105 17.992 ( 1.662 3.151 0.053) 3.563 20.935 ( -6.111 2.792 0.287) 6.724 20.967 ( -5.375 2.668 0.192) 6.004 21.090 ( -4.682 -1.231 1.492) 5.066 21.149 ( -3.802 -2.540 -2.062) 5.016 27.015 ( 2.383 3.069 -0.439) 3.910 27.144 ( 3.619 0.584 1.661) 4.025 27.278 ( 4.986 -0.316 -2.727) 5.692 27.513 ( 12.400 -8.533 1.111) 15.094 29.449 ( 1.615 1.112 -0.125) 1.965 29.462 ( 2.359 0.670 -0.179) 2.458 29.600 ( 2.489 0.662 0.318) 2.595 29.633 ( 4.505 -0.740 -0.008) 4.565 30.186 ( -0.096 4.093 -0.477) 4.122 30.210 ( 0.864 2.983 -1.119) 3.301 30.627 ( -2.114 1.131 0.358) 2.424 30.664 ( -0.446 -0.396 -0.647) 0.880 31.372 ( -2.222 4.140 3.845) 6.071 31.495 ( 1.902 -0.194 1.275) 2.298 31.661 ( 1.598 3.222 3.898) 5.304 31.746 ( 3.093 -0.463 -2.962) 4.307 32.108 ( -3.609 7.752 7.876) 11.625 32.239 ( -0.781 5.281 -7.094) 8.878 32.835 ( -5.639 -2.179 -2.347) 6.485 33.011 ( 2.592 -7.494 1.127) 8.009 33.357 ( -0.384 3.457 2.045) 4.035 33.489 ( 3.773 2.037 -6.077) 7.438 33.712 ( 0.789 -3.519 1.995) 4.121 33.866 ( 6.935 -7.417 -2.636) 10.490 35.271 ( -5.189 -1.887 10.598) 11.950 35.336 ( -3.732 -4.099 -0.299) 5.552 35.899 ( -11.035 2.073 -2.008) 11.406 36.089 ( -3.345 -6.632 -5.795) 9.421 ======================= Grid point 114 (61/72) ======================= q-point: ( 0.29 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( -2.905 -8.953 1.656) 9.557 1.575 ( 0.390 -6.857 -5.475) 8.783 1.785 ( 2.655 -0.621 -9.086) 9.486 1.980 ( 2.077 -8.282 -6.134) 10.513 2.161 ( 8.436 4.615 -2.842) 10.027 2.264 ( 8.952 2.734 4.183) 10.252 2.506 ( 0.535 -3.977 -2.280) 4.616 2.559 ( 6.289 3.397 -1.200) 7.248 2.695 ( 1.525 3.519 4.633) 6.014 2.731 ( 8.967 3.244 -3.343) 10.105 2.818 ( 7.652 -0.277 1.943) 7.900 2.953 ( 9.429 -3.629 -4.420) 11.028 2.982 ( 13.102 -1.884 -0.862) 13.264 3.079 ( 4.037 -3.148 -8.515) 9.935 3.266 ( 10.968 1.303 4.288) 11.848 3.359 ( 10.639 -2.824 -1.231) 11.076 3.419 ( -5.891 4.432 2.353) 7.739 3.624 ( -0.201 -1.723 2.930) 3.405 3.677 ( -2.478 0.830 6.612) 7.109 3.838 ( 6.268 2.484 2.002) 7.033 3.861 ( 2.306 -0.621 2.505) 3.461 3.940 ( 1.132 2.131 -1.810) 3.016 4.065 ( 0.365 3.243 7.771) 8.429 4.200 ( -1.774 0.675 -2.826) 3.404 4.359 ( 1.408 1.978 -0.129) 2.432 4.394 ( -1.808 2.046 -0.599) 2.795 4.459 ( -2.691 2.029 2.411) 4.144 4.520 ( 0.372 -0.565 -5.343) 5.386 4.584 ( -1.488 -3.140 -0.233) 3.482 4.631 ( 4.953 2.170 4.571) 7.081 4.733 ( -3.041 3.754 1.611) 5.093 4.785 ( -2.970 1.029 -3.758) 4.899 4.878 ( -1.141 -6.539 1.491) 6.803 4.906 ( -1.640 3.954 -2.250) 4.836 5.051 ( -0.461 -1.325 4.042) 4.278 5.131 ( -1.107 1.614 0.349) 1.987 5.188 ( -1.747 0.320 -0.179) 1.785 5.244 ( -1.585 3.967 -0.852) 4.356 5.418 ( 1.339 -0.428 0.745) 1.591 5.527 ( 1.977 -0.460 -1.647) 2.614 5.632 ( -9.858 3.709 -0.541) 10.547 5.667 ( -1.175 5.267 2.243) 5.844 5.812 ( 1.271 6.969 3.099) 7.732 5.933 ( 0.204 4.173 -8.035) 9.057 6.107 ( -3.091 -2.383 -0.691) 3.964 6.205 ( -2.617 0.071 1.171) 2.868 6.531 ( -5.400 -3.566 6.066) 8.870 6.571 ( -2.920 -2.720 -0.804) 4.071 6.904 ( -0.436 -1.133 -0.675) 1.389 7.078 ( 1.346 -7.840 -4.815) 9.299 7.211 ( -4.604 2.325 2.770) 5.855 7.340 ( -0.795 1.866 3.119) 3.720 7.438 ( 0.655 0.607 2.330) 2.496 7.533 ( 1.111 -1.671 -5.581) 5.931 7.623 ( -1.269 -2.376 1.804) 3.242 7.742 ( -5.165 -3.438 -0.541) 6.228 8.799 ( -3.393 -0.918 4.188) 5.468 8.877 ( -6.040 -4.579 5.461) 9.342 9.225 ( -0.678 2.450 -3.895) 4.651 9.325 ( -3.146 -3.074 -1.775) 4.743 9.679 ( -1.806 1.082 0.717) 2.224 9.809 ( 0.739 -5.380 -3.177) 6.291 9.893 ( 0.107 1.211 -2.910) 3.153 9.979 ( 1.666 -1.835 -3.626) 4.392 10.300 ( -1.588 4.946 -2.065) 5.590 10.363 ( -6.265 -0.268 2.465) 6.738 10.403 ( -2.165 -1.564 4.284) 5.048 10.522 ( -1.960 -2.050 0.098) 2.838 11.466 ( 1.202 -0.224 -1.676) 2.074 11.551 ( 0.087 -4.043 -2.595) 4.805 11.727 ( 3.297 3.112 1.854) 4.898 11.807 ( 3.463 -0.581 0.372) 3.531 12.236 ( 0.713 -1.692 0.705) 1.967 12.239 ( 0.349 -1.603 1.063) 1.955 12.432 ( -3.249 0.048 0.057) 3.250 12.482 ( -2.472 -2.007 -0.557) 3.232 13.760 ( -1.621 1.608 1.357) 2.656 13.797 ( -0.068 1.866 -1.008) 2.122 13.826 ( 0.227 -1.154 -0.575) 1.310 13.869 ( 0.405 -1.474 -0.069) 1.530 14.705 ( 3.022 1.101 -0.359) 3.237 14.767 ( -0.394 -0.605 0.378) 0.815 14.931 ( 8.111 -0.706 1.011) 8.204 15.015 ( 6.029 -4.838 -0.767) 7.769 15.127 ( 4.304 2.335 1.826) 5.226 15.223 ( 4.648 -1.642 3.043) 5.793 15.351 ( 2.779 1.670 -2.868) 4.329 15.399 ( 2.246 -1.377 -3.312) 4.232 15.954 ( 3.918 2.304 -1.670) 4.843 16.059 ( 3.667 -2.243 0.298) 4.309 16.075 ( 2.927 0.102 0.225) 2.938 16.188 ( 2.148 -3.661 0.283) 4.254 16.906 ( 1.363 3.991 0.534) 4.251 17.027 ( 1.643 -0.067 -0.471) 1.711 17.074 ( 2.362 4.113 -1.049) 4.858 17.119 ( 0.182 2.827 -0.187) 2.839 17.447 ( 1.503 -1.889 0.740) 2.525 17.513 ( 3.036 -3.985 0.432) 5.029 17.943 ( 2.400 6.215 1.918) 6.933 18.052 ( 4.115 1.822 1.059) 4.623 20.790 ( -8.235 1.157 -0.398) 8.325 20.830 ( -8.590 -0.129 0.754) 8.624 21.021 ( -3.317 -0.291 0.852) 3.437 21.049 ( -3.910 -0.954 -1.907) 4.454 27.121 ( 6.620 -0.592 3.098) 7.333 27.182 ( 1.115 -2.295 2.521) 3.587 27.436 ( 9.937 3.812 -1.647) 10.770 27.731 ( 9.750 -10.322 -2.294) 14.383 29.489 ( 2.230 1.357 0.256) 2.624 29.511 ( 2.732 0.633 -0.247) 2.816 29.666 ( 3.645 0.306 0.676) 3.719 29.731 ( 5.399 -2.234 -0.964) 5.922 30.183 ( 0.197 4.930 -0.562) 4.966 30.216 ( 0.548 2.991 -0.984) 3.196 30.590 ( -1.971 1.135 0.976) 2.475 30.644 ( -0.982 -0.966 -0.567) 1.490 31.380 ( -0.602 4.823 5.112) 7.054 31.538 ( 1.002 -1.699 2.863) 3.477 31.737 ( 2.842 3.024 1.227) 4.327 31.759 ( 1.284 1.751 -5.699) 6.099 32.093 ( -2.756 6.076 6.711) 9.463 32.172 ( -0.396 5.011 -4.074) 6.470 32.696 ( -5.274 1.008 -5.166) 7.451 32.999 ( -4.891 -10.499 -2.291) 11.807 33.390 ( 3.660 5.311 1.071) 6.538 33.538 ( 4.229 3.788 -2.404) 6.165 33.793 ( 4.131 -2.391 4.006) 6.231 33.965 ( 5.613 -6.280 -3.646) 9.178 35.199 ( -5.778 -1.157 3.763) 6.992 35.315 ( -3.133 -5.131 8.809) 10.665 35.651 ( -11.838 4.216 -2.966) 12.911 35.932 ( -6.986 -8.619 -7.224) 13.239 ======================= Grid point 115 (62/72) ======================= q-point: ( 0.43 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -7.735 -8.548 4.313) 12.309 1.607 ( 5.976 -10.266 -6.554) 13.567 1.747 ( 0.734 -0.701 -5.767) 5.856 1.941 ( 0.107 -7.254 -8.747) 11.364 2.240 ( 1.263 6.284 -1.045) 6.495 2.421 ( -3.664 -0.299 -5.090) 6.279 2.428 ( 3.802 3.392 5.232) 7.304 2.581 ( -3.482 -0.733 -0.724) 3.631 2.714 ( -0.617 4.105 3.847) 5.660 2.804 ( 5.031 4.536 -5.035) 8.441 2.946 ( 1.224 -3.266 2.969) 4.581 3.065 ( 2.232 -7.256 -6.880) 10.245 3.131 ( 8.653 0.612 -1.551) 8.812 3.263 ( 13.033 -2.080 -3.241) 13.590 3.334 ( -5.007 4.776 2.614) 7.397 3.437 ( 0.768 -0.646 -6.838) 6.911 3.560 ( 11.263 4.120 9.983) 15.604 3.647 ( 2.044 9.429 6.203) 11.470 3.809 ( 2.210 -4.584 11.006) 12.126 3.868 ( -1.395 0.470 -0.951) 1.753 3.926 ( 0.673 1.581 -5.399) 5.666 4.022 ( 3.222 -1.420 2.452) 4.291 4.150 ( 3.167 4.550 7.347) 9.204 4.155 ( 1.866 -3.078 -0.604) 3.650 4.334 ( -5.282 5.059 -1.268) 7.423 4.380 ( -0.149 -1.589 -1.658) 2.302 4.411 ( -2.074 -0.866 -3.113) 3.839 4.472 ( 3.042 0.580 2.624) 4.059 4.573 ( -0.853 -0.900 5.108) 5.256 4.670 ( -6.316 0.330 -5.399) 8.316 4.704 ( 0.901 0.787 -8.270) 8.356 4.726 ( -0.665 4.253 2.952) 5.220 4.860 ( 3.702 -4.504 1.210) 5.955 4.951 ( 3.970 3.184 -1.563) 5.324 5.051 ( -0.547 -3.556 2.291) 4.265 5.117 ( -3.054 1.444 -1.277) 3.612 5.163 ( 0.398 3.602 2.583) 4.450 5.243 ( 1.772 1.630 0.765) 2.526 5.385 ( -7.155 1.222 -3.231) 7.945 5.430 ( -4.494 -1.961 0.824) 4.972 5.584 ( 3.545 -0.205 -0.307) 3.564 5.612 ( -7.705 0.164 4.475) 8.912 5.816 ( -0.132 6.368 -1.462) 6.535 5.875 ( -1.824 3.648 -1.815) 4.464 6.080 ( -0.736 2.537 2.074) 3.358 6.154 ( -1.560 2.718 -1.924) 3.677 6.501 ( -2.571 -6.142 5.364) 8.551 6.539 ( 0.065 -5.369 0.241) 5.375 6.935 ( 1.858 -1.234 3.366) 4.038 7.067 ( -0.542 -5.665 -1.681) 5.934 7.180 ( 1.665 0.570 -1.507) 2.317 7.315 ( -6.128 3.253 -4.161) 8.090 7.393 ( 0.401 -4.029 4.459) 6.023 7.565 ( 2.024 -2.017 -3.720) 4.691 7.611 ( -0.128 0.269 -0.088) 0.310 7.670 ( -1.780 1.465 0.072) 2.307 8.796 ( 0.181 -2.596 3.399) 4.281 8.819 ( -5.444 -3.240 7.446) 9.776 9.207 ( 3.054 2.182 -5.348) 6.534 9.244 ( -2.864 -0.999 -3.144) 4.369 9.662 ( -1.466 0.539 2.630) 3.058 9.783 ( 1.059 -5.407 -6.142) 8.251 9.875 ( -0.363 1.518 -0.173) 1.571 9.943 ( -1.208 -1.089 -3.728) 4.067 10.288 ( -4.015 0.675 3.049) 5.086 10.311 ( 3.003 3.238 -2.059) 4.873 10.410 ( -0.998 -0.031 5.180) 5.275 10.507 ( 0.481 -0.114 -1.045) 1.156 11.481 ( 1.289 -1.611 -1.084) 2.330 11.525 ( -0.565 -3.478 -2.580) 4.367 11.788 ( 1.452 2.905 1.973) 3.800 11.842 ( 0.603 0.566 -0.680) 1.071 12.254 ( 0.935 -1.246 0.887) 1.793 12.276 ( 1.326 -2.072 0.435) 2.499 12.383 ( -1.398 -0.378 0.790) 1.650 12.430 ( -2.169 -2.039 -0.763) 3.073 13.747 ( -0.824 1.338 1.517) 2.184 13.783 ( -0.275 1.469 -1.019) 1.809 13.838 ( 0.991 -2.081 -0.225) 2.316 13.867 ( -0.140 -1.822 -0.985) 2.076 14.740 ( 1.108 -0.380 -0.385) 1.233 14.748 ( -1.430 -0.730 0.361) 1.645 15.064 ( 4.623 0.064 0.179) 4.626 15.101 ( 2.354 -1.126 -1.226) 2.883 15.218 ( 2.513 1.129 4.484) 5.263 15.298 ( 0.413 -2.355 3.299) 4.074 15.368 ( 1.812 1.477 -3.716) 4.390 15.409 ( 1.648 -0.960 -3.347) 3.852 16.023 ( 3.777 1.938 -0.280) 4.254 16.083 ( -1.515 0.465 0.170) 1.594 16.141 ( 3.595 -3.529 0.088) 5.038 16.194 ( -1.669 -3.955 0.366) 4.308 16.937 ( 1.505 4.636 0.584) 4.909 17.016 ( -1.480 2.567 -1.752) 3.442 17.095 ( 0.239 2.156 -0.543) 2.236 17.109 ( -0.228 1.647 -0.847) 1.866 17.498 ( 2.457 -1.112 1.652) 3.162 17.551 ( 0.257 -2.631 0.234) 2.654 18.040 ( 5.026 5.687 2.273) 7.923 18.124 ( 1.402 2.353 0.329) 2.759 20.664 ( -3.524 -0.706 -0.202) 3.600 20.691 ( -5.232 -1.643 -0.185) 5.487 20.982 ( -0.954 -0.302 0.177) 1.016 20.995 ( -0.771 -0.609 -0.837) 1.290 27.227 ( 0.612 -0.412 4.366) 4.428 27.266 ( 4.615 -2.906 2.509) 6.003 27.585 ( 5.512 0.926 1.758) 5.859 27.818 ( 2.658 -10.801 -6.437) 12.851 29.528 ( 1.257 1.587 0.683) 2.137 29.550 ( 1.264 1.044 -0.414) 1.691 29.729 ( 1.732 -0.674 1.311) 2.274 29.792 ( 1.724 -3.138 -2.106) 4.154 30.190 ( 1.041 4.697 -0.480) 4.835 30.212 ( -0.143 3.139 -1.090) 3.326 30.577 ( -0.302 0.906 1.490) 1.770 30.625 ( -0.280 -0.929 -1.053) 1.432 31.425 ( 0.291 5.246 7.012) 8.762 31.583 ( 0.872 -1.845 4.455) 4.900 31.673 ( -3.738 2.527 -6.030) 7.531 31.757 ( -1.149 0.195 -4.559) 4.706 32.116 ( -1.755 7.222 9.961) 12.428 32.227 ( 6.728 4.006 1.660) 8.004 32.571 ( -3.126 2.876 -4.770) 6.387 32.822 ( -6.464 -5.644 -10.697) 13.714 33.493 ( 4.341 4.731 2.692) 6.962 33.581 ( 0.899 4.347 -0.904) 4.530 33.886 ( 1.639 -2.979 4.175) 5.384 34.013 ( 2.847 -5.402 -4.854) 7.801 35.149 ( -5.786 0.776 9.870) 11.467 35.339 ( -0.805 -4.332 6.281) 7.672 35.460 ( -3.184 1.553 -3.599) 5.050 35.756 ( -3.015 -9.180 -10.558) 14.312 ======================= Grid point 116 (63/72) ======================= q-point: (-0.43 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -6.894 -3.958 8.764) 11.832 1.657 ( 6.571 -12.204 -11.155) 17.792 1.751 ( -0.822 -1.652 3.353) 3.828 1.863 ( 0.441 -3.497 -8.549) 9.247 2.248 ( -1.865 4.524 5.238) 7.168 2.300 ( -4.551 7.595 -3.659) 9.581 2.489 ( -0.841 -2.511 4.827) 5.505 2.522 ( -3.609 -0.336 2.428) 4.362 2.697 ( -3.507 4.532 2.120) 6.110 2.858 ( 3.524 -1.822 -4.557) 6.042 2.928 ( -2.710 -4.650 0.432) 5.399 3.019 ( -2.848 -6.018 -4.476) 8.023 3.162 ( -7.677 -1.856 2.177) 8.193 3.267 ( -6.718 3.133 -4.347) 8.593 3.325 ( -1.333 0.120 -2.267) 2.632 3.398 ( 0.906 1.649 -2.147) 2.855 3.711 ( -5.031 3.784 -1.302) 6.428 3.729 ( -3.343 8.763 5.641) 10.945 3.768 ( -5.145 5.496 -2.390) 7.898 3.808 ( 2.570 3.580 5.917) 7.378 3.972 ( -2.337 -0.601 2.617) 3.560 4.023 ( 1.709 0.691 7.069) 7.306 4.101 ( -6.729 -2.438 0.862) 7.209 4.170 ( -4.599 -2.394 -2.045) 5.573 4.299 ( -2.915 2.891 -0.165) 4.109 4.398 ( 8.607 -4.425 0.676) 9.701 4.487 ( -2.148 4.427 -5.760) 7.576 4.498 ( 4.269 1.522 0.872) 4.615 4.584 ( 4.428 -2.840 0.052) 5.261 4.589 ( -2.972 -0.633 -0.368) 3.061 4.687 ( 1.961 -0.557 -2.090) 2.920 4.751 ( 4.668 0.420 -2.079) 5.127 4.877 ( -1.631 -2.792 3.547) 4.800 4.941 ( -1.587 -1.692 -3.593) 4.277 5.032 ( -2.148 1.789 4.531) 5.324 5.128 ( 1.958 3.829 -1.599) 4.588 5.210 ( -0.129 2.003 -2.788) 3.435 5.294 ( 6.778 3.957 -1.382) 7.969 5.338 ( 1.665 0.696 1.687) 2.470 5.398 ( 3.932 0.548 -0.484) 4.000 5.533 ( -3.818 2.750 4.386) 6.433 5.665 ( 6.105 -2.255 -0.490) 6.526 5.791 ( -4.280 2.868 1.277) 5.308 5.829 ( -2.277 2.611 2.490) 4.266 6.047 ( -4.451 3.371 3.493) 6.587 6.161 ( 2.980 2.062 -1.589) 3.957 6.498 ( -1.013 -5.875 3.943) 7.148 6.578 ( 3.318 -6.719 -1.066) 7.569 6.956 ( -4.002 -2.927 4.816) 6.912 7.034 ( -2.343 -4.876 -2.880) 6.129 7.184 ( 0.113 1.808 0.079) 1.813 7.277 ( 7.037 -0.647 -2.452) 7.480 7.427 ( -1.941 -2.520 2.674) 4.155 7.560 ( 4.820 -5.425 -5.231) 8.946 7.635 ( -1.305 3.583 -0.695) 3.877 7.659 ( 2.634 3.455 0.813) 4.420 8.774 ( -3.944 -0.193 5.677) 6.915 8.868 ( 3.729 -4.738 3.456) 6.949 9.183 ( -0.147 1.843 -4.727) 5.076 9.264 ( 6.623 -0.253 -3.868) 7.674 9.660 ( -1.087 0.180 3.387) 3.561 9.772 ( 2.790 -4.349 -6.082) 7.981 9.889 ( 1.392 0.240 1.193) 1.849 9.904 ( -0.064 -0.472 -2.838) 2.877 10.245 ( -3.346 2.771 3.480) 5.566 10.354 ( 3.287 -0.893 -2.504) 4.228 10.444 ( 0.745 2.088 4.012) 4.584 10.512 ( 1.730 0.685 -3.038) 3.562 11.481 ( -1.086 -1.849 -0.589) 2.224 11.507 ( 0.774 -3.032 -1.632) 3.530 11.803 ( -1.516 2.186 1.389) 3.001 11.837 ( -0.053 1.254 -0.928) 1.561 12.261 ( -1.442 -0.844 0.615) 1.780 12.277 ( -0.292 -1.392 -0.073) 1.424 12.405 ( 0.766 -1.310 -0.986) 1.810 12.409 ( 2.503 -2.100 0.950) 3.402 13.753 ( 0.252 1.593 1.442) 2.164 13.778 ( 0.573 0.968 -0.972) 1.487 13.835 ( -1.141 -1.589 -0.172) 1.964 13.868 ( 1.128 -2.194 -1.000) 2.662 14.723 ( -1.742 -0.220 0.961) 2.002 14.753 ( 0.598 -1.393 0.049) 1.517 15.072 ( -3.755 -0.502 0.029) 3.789 15.085 ( -3.091 -0.428 -0.515) 3.162 15.273 ( 0.000 0.465 3.148) 3.182 15.293 ( -2.562 -0.695 0.456) 2.693 15.368 ( 0.645 0.799 -2.672) 2.863 15.405 ( 0.729 -0.905 -4.074) 4.237 16.022 ( -4.680 0.451 -0.106) 4.703 16.077 ( 1.268 1.418 0.679) 2.020 16.127 ( -4.991 -3.767 1.116) 6.352 16.191 ( 0.502 -3.482 0.696) 3.586 16.956 ( -1.311 4.347 -0.009) 4.540 16.984 ( 0.647 3.958 -0.403) 4.031 17.089 ( -0.481 1.607 0.594) 1.779 17.105 ( 0.442 0.552 -0.833) 1.093 17.518 ( -2.343 -1.085 0.113) 2.584 17.554 ( 1.007 -2.233 -0.102) 2.452 18.082 ( -4.262 4.513 -1.029) 6.292 18.117 ( 0.256 2.943 0.784) 3.056 20.657 ( 2.343 -0.930 0.349) 2.545 20.681 ( 4.751 -1.517 0.521) 5.015 20.988 ( 1.419 -0.360 -0.416) 1.521 21.000 ( 2.180 -0.936 -1.141) 2.633 27.244 ( -2.597 0.662 3.534) 4.435 27.309 ( -0.340 -2.487 -1.799) 3.088 27.654 ( -2.675 -4.206 4.224) 6.533 27.738 ( -3.645 -8.710 -7.681) 12.172 29.538 ( -0.904 1.600 0.540) 1.915 29.546 ( -1.132 1.457 -0.742) 1.988 29.743 ( -1.726 -1.498 2.083) 3.093 29.764 ( -2.688 -2.530 -1.818) 4.114 30.197 ( -0.367 3.554 -1.131) 3.747 30.209 ( 1.248 3.244 -0.881) 3.585 30.596 ( 0.945 0.539 1.026) 1.496 30.621 ( 1.211 -0.189 -1.873) 2.239 31.495 ( 0.083 5.357 9.545) 10.945 31.554 ( -4.082 2.704 -4.042) 6.349 31.632 ( -1.041 -1.802 3.935) 4.452 31.670 ( -2.305 -1.610 -2.001) 3.451 32.132 ( -5.031 7.871 7.469) 11.960 32.349 ( 3.141 1.556 -3.204) 4.749 32.535 ( 0.367 2.633 0.969) 2.830 32.710 ( 7.118 -0.159 -7.814) 10.572 33.534 ( -3.700 5.654 0.045) 6.757 33.566 ( -0.060 2.826 0.187) 2.833 33.913 ( -1.982 -3.453 3.783) 5.492 33.998 ( -0.100 -5.828 -5.681) 8.139 35.087 ( -8.367 4.745 11.578) 15.052 35.391 ( 2.108 -4.964 3.401) 6.376 35.516 ( 9.301 -2.844 -1.335) 9.817 35.702 ( 7.205 -6.963 -10.984) 14.868 ======================= Grid point 117 (64/72) ======================= q-point: (-0.29 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -6.588 1.394 11.860) 13.639 1.682 ( 1.870 -4.528 -3.389) 5.957 1.738 ( 0.703 0.044 -5.149) 5.197 1.871 ( 2.538 -7.477 1.069) 7.968 2.144 ( -8.200 2.785 -1.619) 8.810 2.248 ( -7.956 3.019 5.771) 10.282 2.435 ( -4.209 -0.225 5.891) 7.244 2.511 ( -3.148 -0.230 1.716) 3.593 2.628 ( -6.834 5.595 5.329) 10.315 2.797 ( -9.384 -9.777 -6.311) 14.949 2.836 ( -10.353 -6.261 2.077) 12.276 2.903 ( -6.075 0.495 2.479) 6.580 2.976 ( -7.704 -1.930 1.380) 8.061 3.059 ( -5.449 0.064 -9.883) 11.286 3.232 ( -6.760 2.234 -0.453) 7.134 3.325 ( -6.994 0.913 0.955) 7.118 3.554 ( -2.712 4.808 -5.585) 7.853 3.654 ( -2.239 4.742 1.572) 5.474 3.743 ( -5.655 7.056 2.116) 9.287 3.824 ( -2.979 0.820 -0.077) 3.090 3.928 ( -1.960 -1.834 -0.161) 2.689 3.999 ( 1.425 -2.614 -6.306) 6.974 4.114 ( -0.147 -5.064 3.278) 6.034 4.124 ( -1.944 -3.636 4.329) 5.978 4.272 ( -0.727 6.858 8.149) 10.676 4.441 ( 2.384 10.547 -4.836) 11.845 4.476 ( -0.214 -7.298 -3.787) 8.225 4.526 ( -1.365 2.241 3.004) 3.989 4.564 ( 4.935 0.654 -2.086) 5.398 4.669 ( 2.194 0.162 4.799) 5.279 4.762 ( 3.118 0.688 -5.947) 6.750 4.791 ( 1.283 4.480 -1.769) 4.984 4.866 ( -0.886 -1.173 -4.427) 4.664 4.940 ( 5.732 -5.257 1.386) 7.900 5.075 ( 3.918 0.329 1.387) 4.170 5.150 ( -1.463 2.597 1.063) 3.164 5.181 ( -1.589 1.686 -1.983) 3.049 5.297 ( 2.573 2.341 -4.185) 5.442 5.395 ( -0.745 1.032 1.717) 2.137 5.482 ( -1.351 3.720 3.216) 5.100 5.616 ( 10.436 6.094 1.780) 12.216 5.653 ( -7.140 3.762 -0.781) 8.108 5.812 ( -2.152 3.396 3.663) 5.439 5.828 ( 5.587 -0.875 2.524) 6.193 6.027 ( 0.142 -0.247 4.827) 4.835 6.207 ( 1.965 -1.309 0.938) 2.541 6.531 ( 1.312 -3.658 3.081) 4.959 6.622 ( 2.400 -5.270 -1.798) 6.064 6.914 ( -2.316 -5.131 2.712) 6.249 6.963 ( -1.925 -4.962 0.224) 5.327 7.225 ( 1.896 0.286 1.052) 2.188 7.356 ( -3.127 -5.238 4.189) 7.401 7.450 ( 7.895 3.378 -3.959) 9.456 7.569 ( -1.486 4.825 -5.137) 7.203 7.663 ( 5.711 -3.796 -1.997) 7.143 7.741 ( 5.456 -0.243 0.726) 5.509 8.767 ( -1.101 1.980 5.359) 5.818 8.964 ( 3.447 -7.180 1.673) 8.139 9.175 ( 3.109 4.782 -3.965) 6.946 9.380 ( 7.568 -2.909 -3.271) 8.743 9.679 ( 1.052 -0.347 1.775) 2.093 9.788 ( 2.945 -4.239 -4.260) 6.692 9.893 ( 0.600 0.334 -2.095) 2.205 9.924 ( 0.420 -1.061 1.076) 1.568 10.229 ( -0.381 4.514 3.845) 5.942 10.403 ( 3.150 -3.695 -0.468) 4.878 10.488 ( 2.573 2.667 -1.563) 4.022 10.539 ( 4.018 0.014 -2.741) 4.864 11.452 ( -1.202 -0.521 -0.343) 1.355 11.511 ( -0.015 -3.286 0.296) 3.299 11.761 ( -2.825 1.982 -0.772) 3.536 11.814 ( -2.340 0.038 -0.366) 2.368 12.240 ( -0.606 -0.373 0.181) 0.734 12.266 ( -0.253 -1.676 -0.876) 1.908 12.436 ( 2.733 -0.585 -0.431) 2.828 12.466 ( 2.427 -2.361 0.734) 3.464 13.773 ( 0.477 1.675 0.946) 1.982 13.790 ( 1.473 1.540 -0.817) 2.282 13.814 ( -0.557 -0.886 0.027) 1.047 13.877 ( 0.251 -1.740 -0.650) 1.874 14.690 ( -2.767 0.924 0.959) 3.071 14.765 ( 0.250 -1.615 0.601) 1.741 14.957 ( -8.131 -1.413 -1.373) 8.367 14.993 ( -4.811 -3.518 1.172) 6.074 15.182 ( -8.058 0.909 -2.263) 8.419 15.269 ( -3.681 -1.757 1.419) 4.319 15.330 ( -1.624 1.854 -3.867) 4.586 15.378 ( -0.809 -0.067 -1.646) 1.835 15.924 ( -5.120 1.110 0.878) 5.312 16.032 ( -4.942 -3.084 2.223) 6.235 16.081 ( -1.969 1.020 -0.090) 2.219 16.175 ( -2.970 -2.816 1.431) 4.335 16.922 ( -1.581 3.841 -0.577) 4.194 16.978 ( -2.609 4.036 1.869) 5.156 17.092 ( 0.318 1.604 -0.315) 1.665 17.111 ( 0.539 0.584 -0.338) 0.863 17.464 ( -2.404 -1.784 -0.622) 3.057 17.536 ( -2.654 -4.060 -1.281) 5.017 17.988 ( -2.989 5.366 -1.824) 6.407 18.072 ( -4.179 1.388 -0.532) 4.436 20.772 ( 8.144 1.357 1.060) 8.324 20.828 ( 9.002 -0.553 0.929) 9.067 21.028 ( 3.108 0.007 -0.333) 3.126 21.053 ( 4.407 -1.524 -1.775) 4.990 27.171 ( -6.393 0.323 -0.353) 6.411 27.251 ( -2.774 -3.307 -2.963) 5.235 27.466 ( -12.233 -1.007 -4.638) 13.122 27.659 ( -6.283 -7.960 3.134) 10.614 29.498 ( -2.633 1.391 -0.534) 3.026 29.510 ( -2.394 1.082 -0.053) 2.628 29.681 ( -4.480 -1.093 -0.714) 4.666 29.698 ( -4.386 -1.284 1.818) 4.918 30.186 ( 0.143 3.666 -0.888) 3.775 30.218 ( 0.490 2.579 -1.294) 2.926 30.621 ( 1.767 0.640 -1.051) 2.154 30.641 ( 1.651 0.328 -0.865) 1.893 31.466 ( -2.449 2.513 -2.004) 4.040 31.545 ( -4.360 1.983 5.632) 7.393 31.583 ( -0.862 1.632 4.531) 4.893 31.693 ( -0.673 -0.831 5.166) 5.276 32.061 ( -5.425 7.951 3.919) 10.392 32.308 ( -0.000 -0.869 -6.871) 6.926 32.605 ( 5.691 5.218 0.839) 7.767 32.924 ( 12.599 -5.407 2.712) 13.976 33.430 ( -5.240 5.518 -1.663) 7.789 33.529 ( -3.454 2.007 -0.842) 4.082 33.871 ( -4.126 -4.330 0.345) 5.991 33.925 ( -3.293 -5.128 -3.715) 7.137 35.067 ( -2.489 6.553 10.943) 12.996 35.434 ( 0.059 -9.762 3.135) 10.254 35.737 ( 15.789 -0.043 -7.479) 17.471 35.854 ( 13.306 -5.039 -3.715) 14.705 ======================= Grid point 118 (65/72) ======================= q-point: (-0.14 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -3.955 4.516 14.923) 16.085 1.593 ( -12.441 11.112 2.025) 16.804 1.718 ( 2.183 -6.684 -0.276) 7.037 1.938 ( 0.535 -5.101 -6.195) 8.043 1.973 ( -5.737 -0.440 2.269) 6.185 2.136 ( -1.528 -2.031 0.132) 2.545 2.339 ( -10.745 1.836 2.149) 11.111 2.436 ( -4.979 -1.059 0.834) 5.158 2.502 ( -9.165 -2.955 6.441) 11.585 2.552 ( -9.850 -1.301 3.506) 10.536 2.663 ( -8.099 -9.398 2.074) 12.578 2.770 ( -4.473 -0.203 -8.147) 9.296 2.929 ( -1.205 -1.350 3.284) 3.750 2.996 ( 3.667 -6.242 -5.681) 9.202 3.120 ( -3.524 5.570 1.209) 6.701 3.213 ( -4.510 0.636 -1.844) 4.914 3.545 ( 1.220 -0.406 2.828) 3.106 3.605 ( -8.468 6.475 7.990) 13.322 3.651 ( 0.354 -2.599 -1.265) 2.912 3.810 ( 2.756 6.976 -5.967) 9.584 3.901 ( -0.001 -1.468 2.431) 2.840 3.984 ( 2.163 -1.670 -8.628) 9.051 4.147 ( 0.793 -4.404 1.736) 4.800 4.153 ( 1.646 -0.249 2.211) 2.768 4.283 ( -4.342 1.093 4.170) 6.118 4.429 ( -1.612 -3.804 -0.466) 4.158 4.491 ( 3.204 5.965 -5.583) 8.775 4.539 ( -0.589 6.483 3.525) 7.402 4.561 ( -3.037 3.765 -2.918) 5.649 4.681 ( 2.453 2.519 -2.078) 4.084 4.804 ( 5.666 3.861 -0.080) 6.857 4.814 ( -1.926 -3.057 -2.740) 4.534 4.868 ( 3.017 -1.834 3.212) 4.773 5.007 ( -1.720 -2.120 -6.356) 6.917 5.111 ( 4.312 0.934 -0.306) 4.422 5.131 ( -0.768 2.966 0.063) 3.065 5.198 ( -0.703 1.229 4.449) 4.668 5.276 ( 0.561 3.810 -2.268) 4.469 5.387 ( -0.261 -0.745 -3.066) 3.166 5.453 ( -3.578 -0.628 0.859) 3.733 5.560 ( -1.338 11.751 4.501) 12.654 5.784 ( -0.335 9.326 -1.556) 9.461 5.800 ( 5.151 5.105 3.108) 7.890 5.902 ( -0.615 -0.208 4.353) 4.401 6.112 ( 3.333 -2.862 4.677) 6.417 6.243 ( 0.769 -2.385 0.529) 2.561 6.579 ( 1.337 -2.727 2.234) 3.770 6.642 ( 0.282 -2.675 -0.015) 2.690 6.924 ( 2.248 -4.010 0.765) 4.661 6.999 ( 2.687 -6.976 5.774) 9.446 7.248 ( -1.131 0.066 2.692) 2.921 7.323 ( -3.061 -2.048 4.415) 5.749 7.484 ( -2.110 6.469 -5.937) 9.030 7.538 ( 3.748 1.133 -5.008) 6.357 7.753 ( 6.312 -5.706 -3.950) 9.381 7.842 ( 3.535 -6.517 -1.188) 7.508 8.813 ( 0.458 1.924 7.132) 7.401 9.020 ( 2.475 -7.943 -0.636) 8.344 9.229 ( 3.606 5.384 -1.142) 6.580 9.456 ( 3.122 -3.638 -5.154) 7.039 9.715 ( 1.665 -1.323 -0.481) 2.180 9.812 ( 1.862 -4.547 -2.586) 5.552 9.870 ( -1.667 0.927 -1.976) 2.746 9.919 ( 0.304 -1.289 -1.798) 2.233 10.308 ( 4.405 2.323 4.829) 6.936 10.459 ( 1.474 -3.897 3.126) 5.209 10.526 ( 3.968 1.878 -4.856) 6.546 10.610 ( 5.082 -1.734 -3.783) 6.569 11.442 ( 0.237 0.909 1.030) 1.394 11.509 ( -0.956 -2.540 1.827) 3.272 11.697 ( -2.277 1.295 -2.261) 3.460 11.736 ( -4.873 -0.908 -1.512) 5.183 12.242 ( 0.440 -0.292 -0.184) 0.560 12.261 ( 0.755 -1.337 -1.532) 2.169 12.488 ( 2.492 -0.630 0.173) 2.577 12.506 ( 1.074 -1.941 0.803) 2.359 13.782 ( 0.132 1.395 0.634) 1.538 13.808 ( 1.204 0.610 -0.918) 1.632 13.828 ( 0.861 1.101 0.437) 1.465 13.863 ( -1.101 -0.281 -0.476) 1.232 14.645 ( -1.521 0.916 0.044) 1.776 14.740 ( -5.264 -3.059 -0.064) 6.089 14.805 ( -3.759 1.543 -0.618) 4.110 14.912 ( -5.936 -4.037 -0.497) 7.196 15.021 ( -4.703 0.950 1.334) 4.980 15.140 ( -7.241 -3.151 -1.400) 8.020 15.297 ( -0.820 1.796 -0.277) 1.994 15.345 ( -1.503 -0.312 -1.174) 1.932 15.868 ( -1.559 2.391 1.738) 3.342 15.987 ( -1.485 -2.604 2.414) 3.849 16.009 ( -4.603 2.187 -0.953) 5.185 16.112 ( -4.234 -2.159 0.943) 4.845 16.885 ( -2.431 2.492 2.083) 4.057 16.944 ( -1.527 1.919 0.839) 2.592 17.075 ( -0.866 1.038 -2.415) 2.767 17.107 ( -0.790 1.419 -1.107) 1.965 17.429 ( -1.142 -2.424 0.264) 2.693 17.461 ( -2.667 -3.576 -1.337) 4.657 17.954 ( -0.001 5.141 -0.784) 5.200 18.000 ( -2.293 3.250 -0.684) 4.036 20.928 ( 6.270 3.374 0.762) 7.161 20.981 ( 5.550 1.871 -0.866) 5.921 21.102 ( 3.788 -1.369 1.719) 4.379 21.132 ( 5.022 -2.389 -1.982) 5.904 27.029 ( -5.487 2.190 -1.556) 6.110 27.196 ( -3.025 -1.459 -3.006) 4.507 27.231 ( -6.899 1.701 1.502) 7.263 27.516 ( -9.726 -8.017 0.794) 12.629 29.450 ( -1.811 1.127 -0.183) 2.141 29.462 ( -2.121 0.654 -0.210) 2.229 29.602 ( -3.058 0.233 0.060) 3.067 29.624 ( -3.908 -0.397 0.826) 4.013 30.187 ( 0.469 3.351 -0.532) 3.425 30.211 ( 0.083 2.800 -1.424) 3.142 30.648 ( 1.938 0.726 -1.356) 2.474 30.659 ( 0.627 0.578 -0.382) 0.934 31.428 ( -0.964 2.554 0.012) 2.730 31.481 ( -3.772 0.895 1.299) 4.089 31.614 ( -2.253 3.248 7.928) 8.859 31.702 ( -0.777 -0.683 1.755) 2.037 32.037 ( -1.671 8.443 7.663) 11.524 32.287 ( 2.248 0.708 -5.104) 5.621 32.730 ( 5.390 3.083 3.384) 7.071 33.097 ( 2.777 -10.240 -2.927) 11.006 33.361 ( -0.864 4.430 1.257) 4.685 33.461 ( -0.691 0.356 -2.493) 2.611 33.771 ( -3.649 -3.445 -3.898) 6.354 33.839 ( -3.961 -5.142 -0.507) 6.511 35.144 ( 0.491 5.062 11.698) 12.755 35.448 ( -0.147 -9.298 0.096) 9.300 35.951 ( 11.114 0.401 -5.083) 12.227 36.070 ( 10.907 -5.614 -5.649) 13.505 ======================= Grid point 119 (66/72) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 2.029 -4.833 2.032) 5.622 1.501 ( 2.029 4.833 2.032) 5.622 1.772 ( 1.476 -4.879 -5.615) 7.583 1.772 ( 1.476 4.879 -5.615) 7.583 2.073 ( 0.731 -6.895 -1.723) 7.145 2.073 ( 0.731 6.895 -1.723) 7.145 2.256 ( 1.491 -0.955 -0.504) 1.841 2.256 ( 1.491 0.955 -0.504) 1.841 2.348 ( -0.014 -2.345 1.382) 2.722 2.348 ( -0.014 2.345 1.382) 2.722 2.651 ( 0.704 -5.810 0.494) 5.873 2.651 ( 0.704 5.810 0.494) 5.873 2.913 ( -1.028 -2.010 -0.280) 2.275 2.913 ( -1.028 2.010 -0.280) 2.275 3.143 ( 0.302 -1.119 -1.172) 1.648 3.143 ( 0.302 1.119 -1.172) 1.648 3.622 ( -0.553 -2.132 7.686) 7.995 3.622 ( -0.553 2.132 7.686) 7.995 3.754 ( -3.075 -6.718 0.761) 7.427 3.754 ( -3.075 6.718 0.761) 7.427 3.977 ( 2.835 -5.608 -6.108) 8.763 3.977 ( 2.835 5.608 -6.108) 8.763 4.171 ( 1.594 -2.812 1.558) 3.588 4.171 ( 1.594 2.812 1.558) 3.588 4.292 ( -2.662 -4.761 9.066) 10.580 4.292 ( -2.662 4.761 9.066) 10.580 4.521 ( 0.563 -0.840 -5.429) 5.523 4.521 ( 0.563 0.840 -5.429) 5.523 4.629 ( -3.672 -1.827 -4.111) 5.807 4.629 ( -3.672 1.827 -4.111) 5.807 4.776 ( 0.198 -4.695 -6.006) 7.626 4.776 ( 0.198 4.695 -6.006) 7.626 4.970 ( 0.672 -3.080 6.273) 7.021 4.970 ( 0.672 3.080 6.273) 7.021 5.101 ( -1.226 -3.429 -2.555) 4.449 5.101 ( -1.226 3.429 -2.555) 4.449 5.327 ( 0.196 -3.709 2.213) 4.324 5.327 ( 0.196 3.709 2.213) 4.324 5.420 ( 2.932 -2.313 -1.698) 4.102 5.420 ( 2.932 2.313 -1.698) 4.102 5.830 ( 0.238 -6.267 5.115) 8.093 5.830 ( 0.238 6.267 5.115) 8.093 5.915 ( -2.744 -0.957 6.128) 6.782 5.915 ( -2.744 0.957 6.128) 6.782 6.187 ( -0.737 -2.235 0.726) 2.463 6.187 ( -0.737 2.235 0.726) 2.463 6.584 ( 0.724 -0.976 -0.122) 1.222 6.584 ( 0.724 0.976 -0.122) 1.222 7.001 ( 3.113 -1.728 2.278) 4.227 7.001 ( 3.113 1.728 2.278) 4.227 7.267 ( -2.493 -1.936 7.266) 7.922 7.267 ( -2.493 1.936 7.266) 7.922 7.506 ( -0.739 -4.356 -12.117) 12.897 7.506 ( -0.739 4.356 -12.117) 12.897 7.712 ( 0.617 -2.185 -1.085) 2.516 7.712 ( 0.617 2.185 -1.085) 2.516 8.913 ( -1.499 -4.170 3.713) 5.782 8.913 ( -1.499 4.170 3.713) 5.782 9.350 ( 0.499 -4.170 -4.720) 6.318 9.350 ( 0.499 4.170 -4.720) 6.318 9.745 ( 0.682 -1.242 -0.900) 1.679 9.745 ( 0.682 1.242 -0.900) 1.679 9.879 ( 1.804 -1.569 -3.421) 4.174 9.879 ( 1.804 1.569 -3.421) 4.174 10.426 ( -1.415 -2.618 5.789) 6.509 10.426 ( -1.415 2.618 5.789) 6.509 10.579 ( 0.635 -2.409 -5.773) 6.288 10.579 ( 0.635 2.409 -5.773) 6.288 11.489 ( 0.537 -0.607 1.642) 1.831 11.489 ( 0.537 0.607 1.642) 1.831 11.658 ( -0.368 -0.577 -1.666) 1.801 11.658 ( -0.368 0.577 -1.666) 1.801 12.240 ( -0.407 -0.632 -0.662) 1.002 12.240 ( -0.407 0.632 -0.662) 1.002 12.509 ( 0.176 -0.357 0.423) 0.580 12.509 ( 0.176 0.357 0.423) 0.580 13.817 ( 0.094 -0.594 0.169) 0.624 13.817 ( 0.094 0.594 0.169) 0.624 13.845 ( -0.288 -0.324 0.069) 0.439 13.845 ( -0.288 0.324 0.069) 0.439 14.652 ( -0.127 -0.319 0.023) 0.344 14.652 ( -0.127 0.319 0.023) 0.344 14.800 ( 0.348 -0.520 -0.495) 0.797 14.800 ( 0.348 0.520 -0.495) 0.797 15.012 ( 0.133 -0.701 0.973) 1.207 15.012 ( 0.133 0.701 0.973) 1.207 15.305 ( 0.682 -0.895 -1.561) 1.924 15.305 ( 0.682 0.895 -1.561) 1.924 15.954 ( 1.719 -2.771 1.640) 3.650 15.954 ( 1.719 2.771 1.640) 3.650 15.994 ( -1.689 -2.932 -0.370) 3.403 15.994 ( -1.689 2.932 -0.370) 3.403 16.905 ( -0.610 -1.295 1.308) 1.939 16.905 ( -0.610 1.295 1.308) 1.939 17.086 ( 0.218 -0.441 -1.413) 1.496 17.086 ( 0.218 0.441 -1.413) 1.496 17.407 ( 0.275 -0.640 0.022) 0.697 17.407 ( 0.275 0.640 0.022) 0.697 18.011 ( -0.461 -0.785 0.057) 0.913 18.011 ( -0.461 0.785 0.057) 0.913 21.059 ( -0.711 -1.825 0.898) 2.155 21.059 ( -0.711 1.825 0.898) 2.155 21.126 ( 0.696 -2.166 -1.041) 2.502 21.126 ( 0.696 2.166 -1.041) 2.502 27.120 ( 1.420 -3.024 0.443) 3.370 27.120 ( 1.420 3.024 0.443) 3.370 27.218 ( -1.452 -3.259 -0.555) 3.611 27.218 ( -1.452 3.259 -0.555) 3.611 29.445 ( 0.099 -0.089 -0.140) 0.193 29.445 ( 0.099 0.089 -0.140) 0.193 29.584 ( -0.055 -0.116 0.293) 0.320 29.584 ( -0.055 0.116 0.293) 0.320 30.230 ( 0.312 -0.493 -0.461) 0.744 30.230 ( 0.312 0.493 -0.461) 0.744 30.669 ( 0.018 -0.255 -0.756) 0.798 30.669 ( 0.018 0.255 -0.756) 0.798 31.453 ( -1.596 -1.635 2.715) 3.549 31.453 ( -1.596 1.635 2.715) 3.549 31.678 ( 0.738 -2.261 0.870) 2.533 31.678 ( 0.738 2.261 0.870) 2.533 32.255 ( -0.909 -6.554 6.823) 9.505 32.255 ( -0.909 6.554 6.823) 9.505 32.896 ( 1.130 -6.151 -5.180) 8.121 32.896 ( 1.130 6.151 -5.180) 8.121 33.432 ( 0.569 -3.879 0.806) 4.003 33.432 ( 0.569 3.879 0.806) 4.003 33.689 ( 0.027 -2.326 -2.787) 3.630 33.689 ( 0.027 2.326 -2.787) 3.630 35.298 ( -2.382 -4.566 5.873) 7.811 35.298 ( -2.382 4.566 5.873) 7.811 36.062 ( 1.946 -2.687 -6.180) 7.014 36.062 ( 1.946 2.687 -6.180) 7.014 ======================= Grid point 121 (67/72) ======================= q-point: ( 0.14 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 0.386 -3.275 -3.522) 4.825 1.527 ( 0.386 3.275 -3.522) 4.825 1.822 ( 5.345 -3.093 -6.657) 9.080 1.822 ( 5.345 3.093 -6.657) 9.080 2.080 ( 5.477 -2.488 1.280) 6.150 2.080 ( 5.477 2.488 1.280) 6.150 2.406 ( 9.965 -3.323 -0.636) 10.524 2.406 ( 9.965 3.323 -0.636) 10.524 2.507 ( 14.621 -7.469 -1.249) 16.466 2.507 ( 14.621 7.469 -1.249) 16.466 2.696 ( 5.420 -2.998 -1.597) 6.396 2.696 ( 5.420 2.998 -1.597) 6.396 2.918 ( 2.146 -5.009 0.741) 5.499 2.918 ( 2.146 5.009 0.741) 5.499 3.187 ( 3.701 -0.738 0.588) 3.819 3.187 ( 3.701 0.738 0.588) 3.819 3.600 ( -7.084 -2.828 3.001) 8.197 3.600 ( -7.084 2.828 3.001) 8.197 3.720 ( -0.145 -4.071 4.579) 6.129 3.720 ( -0.145 4.071 4.579) 6.129 3.937 ( -0.780 -2.395 -4.847) 5.462 3.937 ( -0.780 2.395 -4.847) 5.462 4.219 ( -0.930 -3.344 -0.659) 3.533 4.219 ( -0.930 3.344 -0.659) 3.533 4.340 ( 3.424 -4.583 3.898) 6.923 4.340 ( 3.424 4.583 3.898) 6.923 4.513 ( 1.178 -3.224 -3.287) 4.752 4.513 ( 1.178 3.224 -3.287) 4.752 4.569 ( -1.452 -2.630 4.382) 5.313 4.569 ( -1.452 2.630 4.382) 5.313 4.725 ( -1.199 -1.096 0.097) 1.627 4.725 ( -1.199 1.096 0.097) 1.627 4.994 ( -2.682 -3.482 -0.844) 4.476 4.994 ( -2.682 3.482 -0.844) 4.476 5.082 ( -0.118 -1.733 1.541) 2.322 5.082 ( -0.118 1.733 1.541) 2.322 5.310 ( -1.991 -3.598 -0.450) 4.137 5.310 ( -1.991 3.598 -0.450) 4.137 5.458 ( 2.160 -4.036 -2.601) 5.265 5.458 ( 2.160 4.036 -2.601) 5.265 5.788 ( -5.153 -1.804 2.180) 5.879 5.788 ( -5.153 1.804 2.180) 5.879 5.943 ( -0.584 -4.995 3.665) 6.224 5.943 ( -0.584 4.995 3.665) 6.224 6.165 ( -1.947 -2.292 2.027) 3.626 6.165 ( -1.947 2.292 2.027) 3.626 6.580 ( -1.655 -2.084 -0.384) 2.689 6.580 ( -1.655 2.084 -0.384) 2.689 6.997 ( -1.805 -3.415 -4.389) 5.847 6.997 ( -1.805 3.415 -4.389) 5.847 7.311 ( -2.218 -1.686 9.791) 10.180 7.311 ( -2.218 1.686 9.791) 10.180 7.428 ( 2.694 -1.841 -6.997) 7.720 7.428 ( 2.694 1.841 -6.997) 7.720 7.698 ( -1.373 -4.583 -1.020) 4.892 7.698 ( -1.373 4.583 -1.020) 4.892 8.875 ( -5.045 -2.951 3.728) 6.932 8.875 ( -5.045 2.951 3.728) 6.932 9.316 ( -0.837 -2.837 -2.937) 4.168 9.316 ( -0.837 2.837 -2.937) 4.168 9.741 ( -0.090 -1.899 -1.592) 2.480 9.741 ( -0.090 1.899 -1.592) 2.480 9.909 ( 3.564 -0.686 -3.333) 4.927 9.909 ( 3.564 0.686 -3.333) 4.927 10.409 ( -4.364 -0.437 4.718) 6.442 10.409 ( -4.364 0.437 4.718) 6.442 10.507 ( -3.581 -3.273 -2.962) 5.685 10.507 ( -3.581 3.273 -2.962) 5.685 11.497 ( 0.038 -2.011 -0.941) 2.221 11.497 ( 0.038 2.011 -0.941) 2.221 11.693 ( 4.030 -1.613 0.391) 4.358 11.693 ( 4.030 1.613 0.391) 4.358 12.223 ( -1.011 -0.620 0.498) 1.287 12.223 ( -1.011 0.620 0.498) 1.287 12.495 ( -1.750 -0.935 -0.139) 1.989 12.495 ( -1.750 0.935 -0.139) 1.989 13.808 ( -0.666 -0.822 -0.131) 1.066 13.808 ( -0.666 0.822 -0.131) 1.066 13.844 ( -0.336 -0.548 0.335) 0.725 13.844 ( -0.336 0.548 0.335) 0.725 14.681 ( 3.324 -2.227 0.298) 4.012 14.681 ( 3.324 2.227 0.298) 4.012 14.847 ( 3.700 -2.711 -0.573) 4.623 14.847 ( 3.700 2.711 -0.573) 4.623 15.068 ( 5.021 -1.528 0.436) 5.266 15.068 ( 5.021 1.528 0.436) 5.266 15.335 ( 3.328 -1.126 -2.000) 4.042 15.335 ( 3.328 1.126 -2.000) 4.042 15.961 ( 1.096 -2.257 -0.711) 2.608 15.961 ( 1.096 2.257 -0.711) 2.608 16.049 ( 4.113 -3.401 1.102) 5.449 16.049 ( 4.113 3.401 1.102) 5.449 16.931 ( 2.147 -2.477 1.070) 3.448 16.931 ( 2.147 2.477 1.070) 3.448 17.102 ( 2.260 -1.332 -0.652) 2.703 17.102 ( 2.260 1.332 -0.652) 2.703 17.417 ( 0.995 -0.848 -0.351) 1.353 17.417 ( 0.995 0.848 -0.351) 1.353 18.005 ( -0.071 -1.812 0.726) 1.953 18.005 ( -0.071 1.812 0.726) 1.953 20.983 ( -7.539 -1.373 1.068) 7.737 20.983 ( -7.539 1.373 1.068) 7.737 21.096 ( -2.702 -2.084 -1.120) 3.592 21.096 ( -2.702 2.084 -1.120) 3.592 27.094 ( -0.331 -4.197 -0.187) 4.215 27.094 ( -0.331 4.197 -0.187) 4.215 27.352 ( 10.882 -6.701 0.185) 12.781 27.352 ( 10.882 6.701 0.185) 12.781 29.465 ( 2.011 -0.365 -0.178) 2.051 29.465 ( 2.011 0.365 -0.178) 2.051 29.616 ( 3.111 -0.909 0.172) 3.246 29.616 ( 3.111 0.909 0.172) 3.246 30.235 ( 0.629 -0.615 -0.690) 1.118 30.235 ( 0.629 0.615 -0.690) 1.118 30.651 ( -1.420 -1.009 -0.268) 1.763 30.651 ( -1.420 1.009 -0.268) 1.763 31.453 ( -0.823 -3.452 3.401) 4.915 31.453 ( -0.823 3.452 3.401) 4.915 31.721 ( 3.545 -2.202 -0.789) 4.247 31.721 ( 3.545 2.202 -0.789) 4.247 32.250 ( -3.832 -4.616 3.393) 6.893 32.250 ( -3.832 4.616 3.393) 6.893 32.863 ( -1.001 -5.552 -3.504) 6.642 32.863 ( -1.001 5.552 -3.504) 6.642 33.459 ( 2.237 -5.102 -0.813) 5.630 33.459 ( 2.237 5.102 -0.813) 5.630 33.725 ( 4.865 -5.175 -0.755) 7.143 33.725 ( 4.865 5.175 -0.755) 7.143 35.272 ( -5.059 -1.892 6.252) 8.262 35.272 ( -5.059 1.892 6.252) 8.262 35.969 ( -6.336 -4.816 -5.498) 9.673 35.969 ( -6.336 4.816 -5.498) 9.673 ======================= Grid point 123 (68/72) ======================= q-point: ( 0.29 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -1.679 -1.718 -5.310) 5.828 1.472 ( -1.679 1.718 -5.310) 5.828 1.827 ( 2.180 -5.413 -7.938) 9.853 1.827 ( 2.180 5.413 -7.938) 9.853 2.270 ( 8.808 -4.062 2.228) 9.952 2.270 ( 8.808 4.062 2.228) 9.952 2.506 ( 1.852 -6.135 -0.632) 6.439 2.506 ( 1.852 6.135 -0.632) 6.439 2.771 ( 10.396 -5.209 -2.867) 11.976 2.771 ( 10.396 5.209 -2.867) 11.976 2.864 ( 12.535 -2.426 -4.990) 13.708 2.864 ( 12.535 2.426 -4.990) 13.708 2.987 ( 5.945 -3.139 -2.269) 7.096 2.987 ( 5.945 3.139 -2.269) 7.096 3.311 ( 8.407 -2.661 4.916) 10.096 3.311 ( 8.407 2.661 4.916) 10.096 3.523 ( -2.894 -5.301 6.517) 8.885 3.523 ( -2.894 5.301 6.517) 8.885 3.763 ( 0.965 -5.023 2.773) 5.818 3.763 ( 0.965 5.023 2.773) 5.818 3.933 ( 3.294 -3.116 -1.178) 4.685 3.933 ( 3.294 3.116 -1.178) 4.685 4.151 ( -3.156 -4.925 -2.420) 6.330 4.151 ( -3.156 4.925 -2.420) 6.330 4.406 ( 0.725 -1.488 0.487) 1.725 4.406 ( 0.725 1.488 0.487) 1.725 4.507 ( -0.143 -1.846 -0.557) 1.934 4.507 ( -0.143 1.846 -0.557) 1.934 4.606 ( 0.510 -6.363 2.662) 6.916 4.606 ( 0.510 6.363 2.662) 6.916 4.742 ( -1.066 -4.378 5.216) 6.893 4.742 ( -1.066 4.378 5.216) 6.893 4.911 ( -1.172 -5.638 -4.755) 7.468 4.911 ( -1.172 5.638 -4.755) 7.468 5.081 ( -1.135 -5.516 2.929) 6.348 5.081 ( -1.135 5.516 2.929) 6.348 5.246 ( -4.324 -4.762 -0.587) 6.459 5.246 ( -4.324 4.762 -0.587) 6.459 5.466 ( -0.368 -4.265 0.686) 4.335 5.466 ( -0.368 4.265 0.686) 4.335 5.699 ( -6.456 -1.721 1.346) 6.815 5.699 ( -6.456 1.721 1.346) 6.815 5.929 ( -1.043 -3.848 -1.577) 4.287 5.929 ( -1.043 3.848 -1.577) 4.287 6.162 ( 0.072 -5.194 1.805) 5.500 6.162 ( 0.072 5.194 1.805) 5.500 6.507 ( -5.604 -2.484 1.123) 6.232 6.507 ( -5.604 2.484 1.123) 6.232 6.943 ( 1.006 -4.750 -4.688) 6.749 6.943 ( 1.006 4.750 -4.688) 6.749 7.291 ( -2.818 -4.938 2.150) 6.078 7.291 ( -2.818 4.938 2.150) 6.078 7.479 ( 2.196 -3.593 -1.808) 4.582 7.479 ( 2.196 3.593 -1.808) 4.582 7.658 ( -1.840 -4.361 1.163) 4.874 7.658 ( -1.840 4.361 1.163) 4.874 8.808 ( -4.800 -1.939 4.603) 6.928 8.808 ( -4.800 1.939 4.603) 6.928 9.271 ( -1.208 -2.312 -3.421) 4.302 9.271 ( -1.208 2.312 -3.421) 4.302 9.718 ( -0.714 -3.165 -1.880) 3.750 9.718 ( -0.714 3.165 -1.880) 3.750 9.934 ( 1.195 -2.434 -3.081) 4.104 9.934 ( 1.195 2.434 -3.081) 4.104 10.349 ( -3.718 -1.321 1.197) 4.124 10.349 ( -3.718 1.321 1.197) 4.124 10.450 ( -1.514 -4.548 2.428) 5.373 10.450 ( -1.514 4.548 2.428) 5.373 11.486 ( 0.208 -2.205 -2.086) 3.043 11.486 ( 0.208 2.205 -2.086) 3.043 11.780 ( 3.688 -2.016 1.009) 4.322 11.780 ( 3.688 2.016 1.009) 4.322 12.220 ( 0.224 -0.184 1.112) 1.149 12.220 ( 0.224 0.184 1.112) 1.149 12.447 ( -2.818 -1.327 -0.388) 3.139 12.447 ( -2.818 1.327 -0.388) 3.139 13.795 ( -1.001 -1.669 0.512) 2.012 13.795 ( -1.001 1.669 0.512) 2.012 13.836 ( -0.215 -1.758 -0.668) 1.893 13.836 ( -0.215 1.758 -0.668) 1.893 14.738 ( 1.261 -1.898 -0.134) 2.283 14.738 ( 1.261 1.898 -0.134) 2.283 14.944 ( 7.402 -2.047 -0.109) 7.680 14.944 ( 7.402 2.047 -0.109) 7.680 15.180 ( 4.509 -2.599 2.329) 5.702 15.180 ( 4.509 2.599 2.329) 5.702 15.376 ( 2.646 -1.020 -2.849) 4.020 15.376 ( 2.646 1.020 -2.849) 4.020 16.005 ( 3.931 -2.542 -1.128) 4.815 16.005 ( 3.931 2.542 -1.128) 4.815 16.115 ( 1.629 -3.120 0.821) 3.614 16.115 ( 1.629 3.120 0.821) 3.614 16.984 ( 2.246 -3.450 0.382) 4.134 16.984 ( 2.246 3.450 0.382) 4.134 17.136 ( 1.146 -1.316 -1.034) 2.028 17.136 ( 1.146 1.316 -1.034) 2.028 17.451 ( 2.598 -1.935 0.612) 3.296 17.451 ( 2.598 1.935 0.612) 3.296 18.040 ( 3.211 -2.933 1.269) 4.530 18.040 ( 3.211 2.933 1.269) 4.530 20.816 ( -9.756 -1.180 0.384) 9.835 20.816 ( -9.756 1.180 0.384) 9.835 21.028 ( -3.077 -0.862 -0.752) 3.282 21.028 ( -3.077 0.862 -0.752) 3.282 27.137 ( 3.403 -1.866 2.422) 4.575 27.137 ( 3.403 1.866 2.422) 4.575 27.547 ( 9.125 -7.322 -1.657) 11.816 27.547 ( 9.125 7.322 -1.657) 11.816 29.511 ( 2.568 -0.691 0.111) 2.662 29.511 ( 2.568 0.691 0.111) 2.662 29.688 ( 3.921 -1.780 -0.206) 4.312 29.688 ( 3.921 1.780 -0.206) 4.312 30.241 ( 0.663 -0.742 -0.994) 1.407 30.241 ( 0.663 0.742 -0.994) 1.407 30.619 ( -1.669 -1.499 0.204) 2.252 30.619 ( -1.669 1.499 0.204) 2.252 31.476 ( 0.199 -4.202 4.083) 5.862 31.476 ( 0.199 4.202 4.083) 5.862 31.775 ( 2.461 -0.656 -3.190) 4.082 31.775 ( 2.461 0.656 -3.190) 4.082 32.195 ( -3.048 -2.915 3.320) 5.367 32.195 ( -3.048 2.915 3.320) 5.367 32.794 ( -3.186 -8.527 -4.541) 10.173 32.794 ( -3.186 8.527 -4.541) 10.173 33.518 ( 4.448 -5.691 -0.269) 7.228 33.518 ( 4.448 5.691 -0.269) 7.228 33.826 ( 5.244 -5.915 -0.388) 7.914 33.826 ( 5.244 5.915 -0.388) 7.914 35.223 ( -5.245 -3.336 8.073) 10.188 35.223 ( -5.245 3.336 8.073) 10.188 35.768 ( -8.853 -7.124 -6.784) 13.234 35.768 ( -8.853 7.124 -6.784) 13.234 ======================= Grid point 125 (69/72) ======================= q-point: ( 0.43 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -0.102 -5.734 -3.430) 6.682 1.417 ( -0.102 5.734 -3.430) 6.682 1.796 ( 1.169 -5.609 -7.438) 9.389 1.796 ( 1.169 5.609 -7.438) 9.389 2.359 ( -0.132 -4.587 0.729) 4.647 2.359 ( -0.132 4.587 0.729) 4.647 2.530 ( 1.347 -4.855 -1.051) 5.147 2.530 ( 1.347 4.855 -1.051) 5.147 2.827 ( 0.163 -4.026 -3.403) 5.274 2.827 ( 0.163 4.026 -3.403) 5.274 2.928 ( 1.512 -3.562 -3.844) 5.455 2.928 ( 1.512 3.562 -3.844) 5.455 3.186 ( 10.935 -4.179 -2.438) 11.957 3.186 ( 10.935 4.179 -2.438) 11.957 3.420 ( -0.387 -2.039 -1.160) 2.378 3.420 ( -0.387 2.039 -1.160) 2.378 3.667 ( 5.502 -7.127 16.296) 18.618 3.667 ( 5.502 7.127 16.296) 18.618 3.811 ( 2.464 -5.674 1.866) 6.462 3.811 ( 2.464 5.674 1.866) 6.462 4.005 ( 2.583 -3.053 -0.450) 4.025 4.005 ( 2.583 3.053 -0.450) 4.025 4.110 ( 1.558 -2.546 -1.169) 3.206 4.110 ( 1.558 2.546 -1.169) 3.206 4.370 ( -3.020 -1.200 -2.674) 4.208 4.370 ( -3.020 1.200 -2.674) 4.208 4.522 ( 0.623 -4.189 3.048) 5.218 4.522 ( 0.623 4.189 3.048) 5.218 4.555 ( -4.816 -9.163 -1.690) 10.488 4.555 ( -4.815 9.163 -1.690) 10.488 4.749 ( 1.026 -4.138 -4.279) 6.040 4.749 ( 1.026 4.138 -4.279) 6.040 4.905 ( -0.311 -8.695 3.443) 9.357 4.905 ( -0.311 8.695 3.443) 9.357 5.082 ( -1.380 -5.628 1.001) 5.880 5.082 ( -1.380 5.628 1.001) 5.880 5.217 ( 3.536 -3.445 2.621) 5.590 5.217 ( 3.536 3.445 2.621) 5.590 5.419 ( -6.383 -0.891 0.217) 6.449 5.419 ( -6.383 0.891 0.217) 6.449 5.594 ( -2.767 -1.600 0.303) 3.210 5.594 ( -2.767 1.600 0.303) 3.210 5.887 ( -2.423 -1.575 -0.791) 2.997 5.887 ( -2.423 1.575 -0.791) 2.997 6.179 ( -0.071 -3.665 0.906) 3.776 6.179 ( -0.071 3.665 0.906) 3.776 6.433 ( -2.682 -2.567 2.467) 4.457 6.433 ( -2.682 2.567 2.467) 4.457 6.962 ( 2.549 -3.649 -1.576) 4.721 6.962 ( 2.549 3.649 -1.576) 4.721 7.254 ( -1.655 -5.438 -1.075) 5.785 7.254 ( -1.655 5.438 -1.075) 5.785 7.447 ( -1.284 -6.109 -3.021) 6.935 7.447 ( -1.284 6.109 -3.021) 6.935 7.667 ( 0.686 -1.889 1.495) 2.505 7.667 ( 0.686 1.889 1.495) 2.505 8.776 ( -2.422 -0.712 5.186) 5.768 8.776 ( -2.422 0.713 5.186) 5.768 9.231 ( 0.691 -0.553 -4.740) 4.821 9.231 ( 0.691 0.553 -4.740) 4.821 9.694 ( -0.177 -2.994 -1.582) 3.391 9.694 ( -0.177 2.994 -1.582) 3.391 9.913 ( -0.614 -1.857 -2.228) 2.965 9.913 ( -0.614 1.857 -2.228) 2.965 10.307 ( -1.631 -1.392 1.157) 2.437 10.307 ( -1.631 1.392 1.157) 2.437 10.471 ( 0.939 -3.401 2.321) 4.223 10.471 ( 0.939 3.401 2.321) 4.223 11.476 ( 0.324 -1.141 -1.884) 2.226 11.476 ( 0.324 1.141 -1.884) 2.226 11.833 ( 1.165 -1.402 0.733) 1.965 11.833 ( 1.165 1.402 0.733) 1.965 12.245 ( 1.189 -0.577 0.924) 1.612 12.245 ( 1.189 0.577 0.924) 1.612 12.395 ( -1.934 -1.285 -0.243) 2.334 12.395 ( -1.934 1.285 -0.243) 2.334 13.781 ( -0.869 -1.808 1.077) 2.277 13.781 ( -0.869 1.808 1.077) 2.277 13.830 ( 0.418 -1.565 -1.469) 2.187 13.830 ( 0.418 1.565 -1.469) 2.187 14.737 ( -0.553 -0.224 -0.149) 0.615 14.737 ( -0.553 0.224 -0.149) 0.615 15.077 ( 4.962 -1.127 -0.621) 5.126 15.077 ( 4.962 1.127 -0.621) 5.126 15.252 ( 0.761 -2.039 3.945) 4.506 15.252 ( 0.761 2.039 3.945) 4.506 15.391 ( 1.628 -0.917 -3.495) 3.963 15.391 ( 1.628 0.917 -3.495) 3.963 16.075 ( 3.606 -2.947 -0.502) 4.684 16.075 ( 3.606 2.947 -0.502) 4.684 16.119 ( -1.784 -3.022 0.718) 3.582 16.119 ( -1.784 3.022 0.718) 3.582 17.013 ( 0.793 -2.426 -0.161) 2.557 17.013 ( 0.793 2.426 -0.161) 2.557 17.124 ( -0.898 -0.368 -1.322) 1.640 17.124 ( -0.898 0.368 -1.322) 1.640 17.506 ( 1.781 -1.612 1.190) 2.681 17.506 ( 1.781 1.612 1.190) 2.681 18.125 ( 3.398 -2.279 1.087) 4.234 18.125 ( 3.398 2.279 1.087) 4.234 20.664 ( -5.048 -0.765 -0.084) 5.106 20.664 ( -5.048 0.765 -0.084) 5.106 20.984 ( -0.901 -0.387 -0.483) 1.093 20.984 ( -0.901 0.387 -0.483) 1.093 27.229 ( 2.721 -0.768 3.921) 4.834 27.229 ( 2.721 0.768 3.921) 4.834 27.649 ( 3.209 -5.628 -2.957) 7.122 27.649 ( 3.209 5.628 -2.957) 7.122 29.554 ( 1.436 -0.724 0.402) 1.657 29.554 ( 1.436 0.724 0.402) 1.657 29.740 ( 1.381 -1.768 -0.500) 2.299 29.740 ( 1.381 1.768 -0.500) 2.299 30.243 ( 0.337 -0.417 -1.040) 1.170 30.243 ( 0.337 0.417 -1.040) 1.170 30.600 ( -0.332 -1.318 0.243) 1.381 30.600 ( -0.332 1.318 0.243) 1.381 31.523 ( 0.889 -4.062 5.326) 6.757 31.523 ( 0.889 4.062 5.326) 6.757 31.729 ( -3.249 -2.514 -5.493) 6.859 31.729 ( -3.249 2.514 -5.493) 6.859 32.231 ( 1.389 -3.479 8.308) 9.114 32.231 ( 1.389 3.479 8.308) 9.114 32.682 ( -2.235 -7.280 -8.880) 11.698 32.682 ( -2.235 7.280 -8.880) 11.698 33.601 ( 3.090 -3.858 0.976) 5.039 33.601 ( 3.090 3.858 0.976) 5.039 33.890 ( 1.936 -4.781 -1.327) 5.326 33.890 ( 1.936 4.781 -1.327) 5.326 35.215 ( -4.013 -5.500 12.175) 13.949 35.215 ( -4.013 5.500 12.175) 13.949 35.577 ( -2.532 -7.987 -10.846) 13.706 35.577 ( -2.532 7.987 -10.846) 13.706 ======================= Grid point 127 (70/72) ======================= q-point: (-0.43 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 1.773 -9.188 -2.247) 9.624 1.414 ( 1.773 9.188 -2.247) 9.624 1.770 ( 1.697 -3.983 -5.448) 6.958 1.770 ( 1.697 3.983 -5.448) 6.958 2.353 ( -1.668 -5.202 3.583) 6.533 2.353 ( -1.668 5.202 3.583) 6.533 2.498 ( -3.040 -5.987 -2.215) 7.071 2.498 ( -3.040 5.987 -2.215) 7.071 2.787 ( -3.265 -4.225 0.416) 5.356 2.787 ( -3.265 4.225 0.416) 5.356 2.905 ( -1.665 -3.802 -1.329) 4.358 2.905 ( -1.665 3.802 -1.329) 4.358 3.202 ( -6.172 -4.275 -5.049) 9.048 3.202 ( -6.172 4.275 -5.049) 9.048 3.400 ( -2.122 -2.160 1.205) 3.259 3.400 ( -2.122 2.160 1.205) 3.259 3.770 ( -1.079 -1.723 2.730) 3.403 3.770 ( -1.079 1.723 2.730) 3.403 3.914 ( 1.536 -5.113 8.816) 10.307 3.914 ( 1.536 5.113 8.816) 10.307 3.965 ( -6.752 -9.054 1.945) 11.461 3.965 ( -6.752 9.054 1.945) 11.461 4.072 ( -4.207 -5.337 -7.571) 10.174 4.072 ( -4.207 5.337 -7.571) 10.174 4.344 ( 1.791 -1.670 -1.225) 2.738 4.344 ( 1.791 1.670 -1.225) 2.738 4.511 ( 4.864 -1.082 1.900) 5.333 4.511 ( 4.864 1.082 1.900) 5.333 4.591 ( -0.576 -3.345 3.971) 5.224 4.591 ( -0.576 3.345 3.971) 5.224 4.685 ( 1.516 -4.614 -7.552) 8.979 4.685 ( 1.516 4.614 -7.552) 8.979 4.920 ( -3.397 -3.934 5.395) 7.491 4.920 ( -3.397 3.934 5.395) 7.491 5.098 ( 2.308 -4.663 1.163) 5.332 5.098 ( 2.308 4.663 1.163) 5.332 5.286 ( -2.204 -3.908 -3.617) 5.763 5.286 ( -2.204 3.908 -3.617) 5.763 5.390 ( 8.749 -1.922 1.015) 9.015 5.390 ( 8.749 1.922 1.015) 9.015 5.590 ( 1.303 -4.152 1.142) 4.499 5.590 ( 1.303 4.152 1.142) 4.499 5.835 ( -3.623 -1.219 3.177) 4.971 5.835 ( -3.623 1.219 3.177) 4.971 6.158 ( -3.162 -4.642 2.173) 6.022 6.158 ( -3.162 4.642 2.173) 6.022 6.448 ( 2.127 -3.625 1.582) 4.491 6.448 ( 2.127 3.625 1.582) 4.491 6.955 ( -2.883 -2.375 -0.920) 3.847 6.955 ( -2.883 2.375 -0.920) 3.847 7.237 ( 0.950 -3.055 -0.142) 3.202 7.237 ( 0.950 3.055 -0.142) 3.202 7.451 ( 4.325 -4.411 -2.683) 6.735 7.451 ( 4.325 4.411 -2.683) 6.735 7.685 ( 0.657 -0.864 -0.116) 1.091 7.685 ( 0.657 0.864 -0.116) 1.091 8.794 ( 0.355 -2.347 3.936) 4.597 8.794 ( 0.355 2.347 3.936) 4.597 9.231 ( 3.428 -2.522 -4.972) 6.545 9.231 ( 3.428 2.522 -4.972) 6.545 9.691 ( 1.038 -2.981 -1.369) 3.441 9.691 ( 1.038 2.981 -1.369) 3.441 9.898 ( 0.476 -0.297 -0.904) 1.065 9.898 ( 0.476 0.297 -0.904) 1.065 10.299 ( -0.502 -2.885 1.752) 3.413 10.299 ( -0.502 2.885 1.752) 3.413 10.503 ( 1.561 -1.921 -0.291) 2.492 10.503 ( 1.561 1.921 -0.291) 2.492 11.468 ( 0.082 -0.664 -1.277) 1.442 11.468 ( 0.082 0.664 -1.277) 1.442 11.838 ( -1.115 -1.036 0.390) 1.571 11.838 ( -1.115 1.036 0.390) 1.571 12.257 ( -0.555 -0.558 0.028) 0.788 12.257 ( -0.555 0.558 0.028) 0.788 12.390 ( 1.515 -0.070 0.159) 1.525 12.390 ( 1.515 0.070 0.159) 1.525 13.783 ( 0.190 -1.078 1.052) 1.519 13.783 ( 0.190 1.078 1.052) 1.519 13.827 ( 0.480 -1.379 -1.384) 2.012 13.827 ( 0.480 1.379 -1.384) 2.012 14.729 ( -0.473 -0.803 0.613) 1.115 14.729 ( -0.473 0.803 0.613) 1.115 15.075 ( -4.375 -0.535 -0.483) 4.434 15.075 ( -4.375 0.535 -0.483) 4.434 15.282 ( -0.893 -0.596 2.396) 2.625 15.282 ( -0.893 0.596 2.396) 2.625 15.387 ( 0.956 -0.935 -3.994) 4.212 15.387 ( 0.956 0.935 -3.994) 4.212 16.057 ( -5.001 -2.834 1.066) 5.846 16.057 ( -5.001 2.834 1.066) 5.846 16.123 ( 1.085 -2.960 0.319) 3.168 16.123 ( 1.085 2.960 0.319) 3.168 17.016 ( -0.216 -1.023 -0.447) 1.137 17.016 ( -0.216 1.023 -0.447) 1.137 17.106 ( -0.148 -0.282 0.116) 0.339 17.106 ( -0.148 0.282 0.116) 0.339 17.519 ( -1.127 -1.058 0.120) 1.550 17.519 ( -1.127 1.058 0.120) 1.550 18.140 ( -2.431 -0.908 -0.095) 2.597 18.140 ( -2.431 0.908 -0.095) 2.597 20.656 ( 4.098 -0.747 0.573) 4.205 20.656 ( 4.098 0.747 0.573) 4.205 20.988 ( 1.724 -0.293 -0.757) 1.906 20.988 ( 1.724 0.293 -0.757) 1.906 27.266 ( -1.614 -1.635 1.477) 2.731 27.266 ( -1.614 1.635 1.477) 2.731 27.628 ( -3.082 -1.990 -1.842) 4.105 27.628 ( -3.082 1.990 -1.842) 4.105 29.560 ( -1.051 -0.280 -0.067) 1.090 29.560 ( -1.051 0.280 -0.067) 1.090 29.731 ( -2.004 -0.529 0.156) 2.079 29.731 ( -2.004 0.529 0.156) 2.079 30.239 ( 0.032 -0.390 -0.746) 0.842 30.239 ( 0.032 0.390 -0.746) 0.842 30.609 ( 1.293 -0.761 -0.484) 1.577 30.609 ( 1.293 0.761 -0.484) 1.577 31.582 ( -0.721 -3.206 5.483) 6.392 31.582 ( -0.721 3.206 5.483) 6.392 31.618 ( -3.115 -3.313 -1.497) 4.788 31.618 ( -3.115 3.313 -1.497) 4.788 32.283 ( -4.113 -6.404 6.554) 10.044 32.283 ( -4.113 6.404 6.554) 10.044 32.643 ( 6.797 -5.793 -8.308) 12.198 32.643 ( 6.797 5.793 -8.308) 12.198 33.616 ( -2.409 -0.483 0.140) 2.461 33.616 ( -2.409 0.483 0.140) 2.461 33.887 ( -0.969 -2.941 -1.211) 3.325 33.887 ( -0.969 2.941 -1.211) 3.325 35.225 ( -5.178 -8.494 12.042) 15.620 35.225 ( -5.178 8.494 12.042) 15.620 35.569 ( 11.026 -5.538 -10.903) 16.466 35.569 ( 11.026 5.538 -10.903) 16.466 ======================= Grid point 129 (71/72) ======================= q-point: (-0.29 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 2.135 -10.781 -1.360) 11.074 1.438 ( 2.135 10.781 -1.360) 11.074 1.783 ( 3.478 -1.685 -4.239) 5.736 1.783 ( 3.478 1.685 -4.239) 5.736 2.276 ( -9.357 -5.270 0.556) 10.754 2.276 ( -9.357 5.270 0.556) 10.754 2.457 ( -1.895 -8.055 4.029) 9.203 2.457 ( -1.895 8.055 4.029) 9.203 2.669 ( -12.520 -3.951 4.611) 13.915 2.669 ( -12.520 3.951 4.611) 13.915 2.816 ( -7.453 -5.696 0.608) 9.400 2.816 ( -7.453 5.696 0.608) 9.400 3.023 ( -4.783 -3.322 -7.671) 9.631 3.023 ( -4.783 3.322 -7.671) 9.631 3.302 ( -7.510 -2.681 2.910) 8.489 3.302 ( -7.510 2.681 2.910) 8.489 3.675 ( -9.032 -4.316 -1.542) 10.128 3.675 ( -9.032 4.316 -1.542) 10.128 3.836 ( -2.033 -3.624 -2.662) 4.935 3.836 ( -2.033 3.624 -2.662) 4.935 3.932 ( -1.447 -1.952 -1.851) 3.055 3.932 ( -1.447 1.952 -1.851) 3.055 4.057 ( 2.938 -4.100 4.475) 6.743 4.057 ( 2.938 4.100 4.475) 6.743 4.350 ( -2.909 -4.064 2.344) 5.521 4.350 ( -2.909 4.064 2.344) 5.521 4.566 ( 3.623 -0.366 -2.647) 4.502 4.566 ( 3.623 0.366 -2.647) 4.502 4.679 ( 2.373 -3.233 5.804) 7.055 4.679 ( 2.373 3.233 5.804) 7.055 4.733 ( 6.189 -6.735 -4.260) 10.090 4.733 ( 6.189 6.735 -4.260) 10.090 4.873 ( -1.431 -1.345 0.010) 1.964 4.873 ( -1.431 1.345 0.010) 1.964 5.148 ( 1.229 -3.091 -1.443) 3.626 5.148 ( 1.229 3.091 -1.443) 3.626 5.251 ( 1.576 -6.072 -2.131) 6.625 5.251 ( 1.576 6.072 -2.131) 6.625 5.460 ( -2.305 -3.948 0.534) 4.602 5.460 ( -2.305 3.948 0.534) 4.602 5.701 ( 5.947 -2.177 1.807) 6.586 5.701 ( 5.947 2.177 1.807) 6.586 5.822 ( -0.530 -2.412 6.870) 7.301 5.822 ( -0.530 2.412 6.870) 7.301 6.125 ( -1.609 -7.028 3.874) 8.185 6.125 ( -1.609 7.028 3.874) 8.185 6.514 ( 3.201 -3.409 0.880) 4.758 6.514 ( 3.201 3.409 0.880) 4.758 6.889 ( -2.037 -1.955 -0.141) 2.827 6.889 ( -2.037 1.955 -0.141) 2.827 7.261 ( -0.100 -3.404 2.865) 4.451 7.261 ( -0.100 3.404 2.865) 4.451 7.542 ( 7.152 -5.196 -5.491) 10.407 7.542 ( 7.152 5.196 -5.491) 10.407 7.692 ( 0.611 -4.195 -1.041) 4.365 7.692 ( 0.611 4.195 -1.041) 4.365 8.838 ( 1.463 -4.973 2.298) 5.670 8.838 ( 1.463 4.973 2.298) 5.670 9.284 ( 5.746 -5.703 -4.599) 9.311 9.284 ( 5.746 5.703 -4.599) 9.311 9.709 ( 1.746 -3.032 -1.261) 3.719 9.709 ( 1.746 3.032 -1.261) 3.719 9.905 ( 0.339 -0.887 -0.506) 1.076 9.905 ( 0.339 0.887 -0.506) 1.076 10.319 ( 0.951 -4.274 2.857) 5.228 10.319 ( 0.951 4.274 2.857) 5.228 10.530 ( 3.035 -1.177 -3.357) 4.676 10.530 ( 3.035 1.177 -3.357) 4.676 11.461 ( -0.013 -1.487 -0.240) 1.506 11.461 ( -0.013 1.487 -0.240) 1.506 11.797 ( -3.218 -1.457 -0.341) 3.549 11.797 ( -3.218 1.457 -0.341) 3.549 12.243 ( -0.107 -0.670 -0.740) 1.004 12.243 ( -0.107 0.670 -0.740) 1.004 12.436 ( 2.581 -0.634 0.467) 2.699 12.436 ( 2.581 0.634 0.467) 2.699 13.795 ( 0.204 -0.909 0.540) 1.076 13.795 ( 0.204 0.909 0.540) 1.076 13.834 ( 1.251 -2.306 -0.681) 2.710 13.834 ( 1.251 2.306 -0.681) 2.710 14.723 ( -1.318 -2.153 1.187) 2.789 14.723 ( -1.318 2.153 1.187) 2.789 14.949 ( -7.135 -0.789 -0.539) 7.199 14.949 ( -7.135 0.789 -0.539) 7.199 15.222 ( -6.353 -2.499 -0.594) 6.853 15.222 ( -6.353 2.499 -0.594) 6.853 15.365 ( -0.528 -1.282 -2.555) 2.907 15.365 ( -0.528 1.282 -2.555) 2.907 15.968 ( -4.815 -2.922 2.013) 5.981 15.968 ( -4.815 2.922 2.013) 5.981 16.119 ( -1.929 -2.504 0.483) 3.198 16.119 ( -1.929 2.504 0.483) 3.198 16.992 ( -2.142 -2.391 -0.335) 3.228 16.992 ( -2.142 2.391 -0.335) 3.228 17.113 ( -0.060 -0.959 0.869) 1.296 17.113 ( -0.060 0.959 0.869) 1.296 17.469 ( -3.295 -2.138 -0.844) 4.018 17.469 ( -3.295 2.138 -0.844) 4.018 18.066 ( -3.513 -2.108 -0.858) 4.186 18.066 ( -3.513 2.108 -0.858) 4.186 20.805 ( 9.669 -1.630 1.197) 9.878 20.805 ( 9.669 1.630 1.197) 9.878 21.032 ( 3.495 -0.528 -1.045) 3.686 21.032 ( 3.495 0.528 -1.045) 3.686 27.193 ( -5.042 -2.019 -1.822) 5.729 27.193 ( -5.042 2.019 -1.822) 5.729 27.517 ( -7.718 -5.352 0.430) 9.402 27.517 ( -7.718 5.352 0.430) 9.402 29.518 ( -2.764 -0.390 -0.473) 2.831 29.518 ( -2.764 0.390 -0.473) 2.831 29.676 ( -3.797 -0.592 0.741) 3.914 29.676 ( -3.797 0.592 0.741) 3.914 30.234 ( -0.069 -0.863 -0.455) 0.978 30.234 ( -0.069 0.863 -0.455) 0.978 30.636 ( 2.008 -0.703 -1.167) 2.427 30.636 ( 2.008 0.703 -1.167) 2.427 31.517 ( -3.462 -2.424 -0.010) 4.227 31.517 ( -3.462 2.424 -0.010) 4.227 31.655 ( -0.751 -3.054 7.457) 8.093 31.655 ( -0.751 3.054 7.457) 8.093 32.218 ( -3.969 -6.904 2.234) 8.271 32.218 ( -3.969 6.904 2.234) 8.271 32.767 ( 8.971 -9.087 -3.591) 13.264 32.767 ( 8.971 9.087 -3.591) 13.264 33.532 ( -5.037 -3.119 -1.028) 6.013 33.532 ( -5.037 3.119 -1.028) 6.013 33.836 ( -3.385 -2.199 -1.261) 4.229 33.836 ( -3.385 2.199 -1.261) 4.229 35.232 ( -1.592 -9.428 7.623) 12.228 35.232 ( -1.592 9.428 7.623) 12.228 35.769 ( 15.460 -3.078 -7.135) 17.303 35.769 ( 15.460 3.078 -7.135) 17.303 ======================= Grid point 131 (72/72) ======================= q-point: (-0.14 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 0.605 -10.031 1.458) 10.154 1.466 ( 0.605 10.031 1.458) 10.154 1.811 ( 2.364 -4.830 -6.438) 8.389 1.811 ( 2.364 4.830 -6.438) 8.389 2.088 ( -7.524 -7.839 2.114) 11.070 2.088 ( -7.524 7.839 2.114) 11.070 2.380 ( -10.431 -3.407 1.785) 11.117 2.380 ( -10.431 3.407 1.785) 11.117 2.449 ( -10.138 -5.835 3.572) 12.230 2.449 ( -10.138 5.835 3.572) 12.230 2.680 ( -4.822 -7.082 -0.773) 8.603 2.680 ( -4.822 7.082 -0.773) 8.603 2.937 ( -0.591 -1.691 -2.841) 3.358 2.937 ( -0.591 1.691 -2.841) 3.358 3.200 ( -4.980 -1.855 0.286) 5.322 3.200 ( -4.980 1.855 0.286) 5.322 3.579 ( -0.738 -3.395 2.719) 4.412 3.579 ( -0.738 3.395 2.719) 4.412 3.777 ( -3.027 -8.505 3.311) 9.615 3.777 ( -3.027 8.505 3.311) 9.615 3.951 ( 4.547 -3.919 -6.525) 8.867 3.951 ( 4.547 3.919 -6.525) 8.867 4.128 ( 1.161 -3.421 4.376) 5.675 4.128 ( 1.161 3.421 4.376) 5.675 4.310 ( -3.521 -3.788 3.706) 6.362 4.310 ( -3.521 3.788 3.706) 6.362 4.580 ( -0.747 -1.116 -5.996) 6.145 4.580 ( -0.747 1.116 -5.996) 6.145 4.679 ( 0.846 -4.727 -1.767) 5.117 4.679 ( 0.846 4.727 -1.767) 5.117 4.792 ( 0.471 -4.241 -1.806) 4.633 4.792 ( 0.471 4.241 -1.806) 4.633 4.927 ( 3.870 -5.713 -0.458) 6.915 4.927 ( 3.870 5.713 -0.458) 6.915 5.132 ( -0.274 -1.583 -1.509) 2.203 5.132 ( -0.274 1.583 -1.509) 2.203 5.280 ( 1.059 -4.597 1.940) 5.101 5.280 ( 1.059 4.597 1.940) 5.101 5.411 ( -1.665 -3.111 0.619) 3.583 5.411 ( -1.665 3.111 0.619) 3.583 5.764 ( 0.899 -6.183 4.409) 7.647 5.764 ( 0.899 6.183 4.409) 7.647 5.901 ( 0.199 -0.067 7.242) 7.245 5.901 ( 0.199 0.067 7.242) 7.245 6.163 ( 2.093 -6.125 1.622) 6.673 6.163 ( 2.093 6.125 1.622) 6.673 6.565 ( 1.260 -2.731 0.908) 3.141 6.565 ( 1.260 2.731 0.908) 3.141 6.906 ( 2.871 -2.236 2.604) 4.474 6.906 ( 2.871 2.236 2.604) 4.474 7.271 ( -1.979 -2.208 4.771) 5.618 7.271 ( -1.979 2.208 4.771) 5.618 7.583 ( 3.274 -2.617 -11.398) 12.144 7.583 ( 3.274 2.617 -11.398) 12.144 7.700 ( 0.971 -5.131 -0.339) 5.233 7.700 ( 0.971 5.131 -0.339) 5.233 8.884 ( 1.292 -5.148 2.720) 5.964 8.884 ( 1.292 5.148 2.720) 5.964 9.349 ( 4.148 -6.145 -5.241) 9.079 9.349 ( 4.148 6.145 -5.241) 9.079 9.731 ( 1.440 -2.775 -1.059) 3.301 9.731 ( 1.440 2.775 -1.059) 3.301 9.892 ( -0.557 -1.234 -1.779) 2.236 9.892 ( -0.557 1.234 -1.779) 2.236 10.378 ( 1.685 -4.007 4.620) 6.344 10.378 ( 1.685 4.007 4.620) 6.344 10.569 ( 4.281 -2.226 -5.513) 7.327 10.569 ( 4.281 2.226 -5.513) 7.327 11.467 ( 0.280 -1.628 1.237) 2.063 11.467 ( 0.280 1.628 1.237) 2.063 11.718 ( -3.822 -0.909 -1.428) 4.180 11.718 ( -3.822 0.909 -1.428) 4.180 12.243 ( 0.666 -0.435 -1.187) 1.429 12.243 ( 0.666 0.435 -1.187) 1.429 12.484 ( 1.836 -0.358 0.719) 2.004 12.484 ( 1.836 0.358 0.719) 2.004 13.805 ( 0.632 -0.798 0.251) 1.048 13.805 ( 0.632 0.798 0.251) 1.048 13.850 ( 0.329 -0.946 -0.217) 1.025 13.850 ( 0.329 0.946 -0.217) 1.025 14.681 ( -3.070 -2.505 0.306) 3.974 14.681 ( -3.070 2.505 0.306) 3.974 14.844 ( -3.499 -2.483 -0.256) 4.298 14.844 ( -3.499 2.483 -0.256) 4.298 15.071 ( -7.176 -3.302 0.159) 7.901 15.071 ( -7.176 3.302 0.159) 7.901 15.329 ( -1.362 -1.267 -1.587) 2.445 15.329 ( -1.362 1.267 -1.587) 2.445 15.926 ( -1.110 -3.095 2.163) 3.935 15.926 ( -1.110 3.095 2.163) 3.935 16.062 ( -3.972 -2.680 0.057) 4.792 16.062 ( -3.972 2.680 0.057) 4.792 16.936 ( -3.189 -2.155 0.564) 3.890 16.936 ( -3.189 2.155 0.564) 3.890 17.105 ( -0.828 -1.516 -0.727) 1.874 17.105 ( -0.828 1.516 -0.727) 1.874 17.414 ( -1.448 -0.889 -0.190) 1.710 17.414 ( -1.448 0.889 -0.190) 1.710 18.021 ( -0.794 -1.214 -0.565) 1.556 18.021 ( -0.794 1.214 -0.565) 1.556 20.987 ( 7.274 -1.761 0.892) 7.537 20.987 ( 7.274 1.761 0.892) 7.537 21.093 ( 3.272 -1.008 -0.943) 3.551 21.093 ( 3.272 1.008 -0.943) 3.551 27.102 ( -1.976 -4.698 -0.824) 5.163 27.102 ( -1.976 4.698 -0.824) 5.163 27.353 ( -9.189 -7.506 0.094) 11.865 27.353 ( -9.189 7.506 0.094) 11.865 29.466 ( -2.064 -0.358 -0.232) 2.107 29.466 ( -2.064 0.358 -0.232) 2.107 29.612 ( -3.032 -0.644 0.510) 3.142 29.612 ( -3.032 0.644 0.510) 3.142 30.230 ( 0.033 -0.718 -0.373) 0.810 30.230 ( 0.033 0.718 -0.373) 0.810 30.661 ( 1.480 -0.412 -1.154) 1.922 30.661 ( 1.480 0.412 -1.154) 1.922 31.471 ( -2.229 -1.572 1.664) 3.195 31.471 ( -2.229 1.572 1.664) 3.195 31.673 ( -1.725 -2.222 4.213) 5.065 31.673 ( -1.725 2.222 4.213) 5.065 32.209 ( -0.376 -7.438 5.526) 9.274 32.209 ( -0.376 7.438 5.526) 9.274 32.878 ( 5.167 -10.288 -4.140) 12.234 32.878 ( 5.167 10.288 -4.140) 12.234 33.446 ( -2.727 -2.862 -0.234) 3.960 33.446 ( -2.727 2.862 -0.234) 3.960 33.750 ( -3.568 -2.294 -2.467) 4.907 33.750 ( -3.568 2.294 -2.467) 4.907 35.273 ( -0.251 -7.609 6.164) 9.796 35.273 ( -0.251 7.609 6.164) 9.796 35.983 ( 11.275 -2.872 -6.598) 13.376 35.983 ( 11.275 2.872 -6.598) 13.376 =================== 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 3/27720 10.0 94.152 76.169 92.564 0.000 29.121 0.000 3/27720 20.0 12.696 8.241 10.763 0.000 1.803 0.000 3/27720 30.0 5.307 3.311 4.358 0.000 0.571 0.000 3/27720 40.0 3.168 2.006 2.607 0.000 0.281 0.000 3/27720 50.0 2.246 1.452 1.872 0.000 0.171 0.000 3/27720 60.0 1.752 1.154 1.480 0.000 0.116 0.000 3/27720 70.0 1.446 0.967 1.238 0.000 0.085 0.000 3/27720 80.0 1.240 0.838 1.073 0.000 0.064 0.000 3/27720 90.0 1.090 0.743 0.952 0.000 0.051 0.000 3/27720 100.0 0.976 0.670 0.858 0.000 0.041 0.000 3/27720 110.0 0.886 0.612 0.783 0.000 0.033 0.000 3/27720 120.0 0.813 0.563 0.721 0.000 0.028 0.000 3/27720 130.0 0.753 0.523 0.670 0.000 0.023 0.000 3/27720 140.0 0.702 0.489 0.625 0.000 0.020 0.000 3/27720 150.0 0.659 0.459 0.587 0.000 0.017 0.000 3/27720 160.0 0.621 0.434 0.553 0.000 0.015 0.000 3/27720 170.0 0.589 0.411 0.524 0.000 0.013 0.000 3/27720 180.0 0.560 0.391 0.498 0.000 0.012 0.000 3/27720 190.0 0.535 0.374 0.475 0.000 0.010 0.000 3/27720 200.0 0.512 0.358 0.455 0.000 0.009 0.000 3/27720 210.0 0.491 0.344 0.436 0.000 0.008 0.000 3/27720 220.0 0.473 0.331 0.420 0.000 0.008 0.000 3/27720 230.0 0.456 0.319 0.405 0.000 0.007 0.000 3/27720 240.0 0.441 0.309 0.391 0.000 0.006 0.000 3/27720 250.0 0.427 0.299 0.379 0.000 0.005 0.000 3/27720 260.0 0.414 0.290 0.368 0.000 0.005 0.000 3/27720 270.0 0.402 0.282 0.358 0.000 0.004 0.000 3/27720 280.0 0.391 0.275 0.348 0.000 0.004 0.000 3/27720 290.0 0.381 0.268 0.340 0.000 0.003 0.000 3/27720 300.0 0.372 0.261 0.332 0.000 0.003 0.000 3/27720 310.0 0.363 0.255 0.324 0.000 0.002 0.000 3/27720 320.0 0.354 0.249 0.317 0.000 0.002 0.000 3/27720 330.0 0.346 0.244 0.311 0.000 0.001 0.000 3/27720 340.0 0.339 0.239 0.305 0.000 0.001 0.000 3/27720 350.0 0.332 0.234 0.299 0.000 0.001 0.000 3/27720 360.0 0.325 0.229 0.294 0.000 0.000 0.000 3/27720 370.0 0.319 0.225 0.289 0.000 0.000 0.000 3/27720 380.0 0.313 0.221 0.284 0.000 -0.000 0.000 3/27720 390.0 0.307 0.217 0.279 0.000 -0.000 0.000 3/27720 400.0 0.301 0.213 0.275 0.000 -0.001 0.000 3/27720 410.0 0.296 0.209 0.271 0.000 -0.001 0.000 3/27720 420.0 0.291 0.206 0.267 0.000 -0.001 0.000 3/27720 430.0 0.286 0.203 0.263 0.000 -0.001 0.000 3/27720 440.0 0.281 0.199 0.259 0.000 -0.002 0.000 3/27720 450.0 0.276 0.196 0.255 0.000 -0.002 0.000 3/27720 460.0 0.272 0.193 0.252 0.000 -0.002 0.000 3/27720 470.0 0.268 0.190 0.248 0.000 -0.002 0.000 3/27720 480.0 0.264 0.187 0.245 0.000 -0.002 0.000 3/27720 490.0 0.260 0.185 0.242 0.000 -0.002 0.000 3/27720 500.0 0.256 0.182 0.239 0.000 -0.003 0.000 3/27720 510.0 0.252 0.179 0.235 0.000 -0.003 0.000 3/27720 520.0 0.248 0.177 0.232 0.000 -0.003 0.000 3/27720 530.0 0.245 0.175 0.230 0.000 -0.003 0.000 3/27720 540.0 0.241 0.172 0.227 0.000 -0.003 0.000 3/27720 550.0 0.238 0.170 0.224 0.000 -0.003 0.000 3/27720 560.0 0.235 0.168 0.221 0.000 -0.003 0.000 3/27720 570.0 0.231 0.165 0.219 0.000 -0.003 0.000 3/27720 580.0 0.228 0.163 0.216 0.000 -0.003 0.000 3/27720 590.0 0.225 0.161 0.213 0.000 -0.003 0.000 3/27720 600.0 0.222 0.159 0.211 0.000 -0.004 0.000 3/27720 610.0 0.219 0.157 0.209 0.000 -0.004 0.000 3/27720 620.0 0.217 0.155 0.206 0.000 -0.004 0.000 3/27720 630.0 0.214 0.153 0.204 0.000 -0.004 0.000 3/27720 640.0 0.211 0.151 0.202 0.000 -0.004 0.000 3/27720 650.0 0.209 0.150 0.199 0.000 -0.004 0.000 3/27720 660.0 0.206 0.148 0.197 0.000 -0.004 0.000 3/27720 670.0 0.204 0.146 0.195 0.000 -0.004 0.000 3/27720 680.0 0.201 0.144 0.193 0.000 -0.004 0.000 3/27720 690.0 0.199 0.143 0.191 0.000 -0.004 0.000 3/27720 700.0 0.197 0.141 0.189 0.000 -0.004 0.000 3/27720 710.0 0.194 0.139 0.187 0.000 -0.004 0.000 3/27720 720.0 0.192 0.138 0.185 0.000 -0.004 0.000 3/27720 730.0 0.190 0.136 0.183 0.000 -0.004 0.000 3/27720 740.0 0.188 0.135 0.181 0.000 -0.004 0.000 3/27720 750.0 0.186 0.133 0.179 0.000 -0.004 0.000 3/27720 760.0 0.184 0.132 0.177 0.000 -0.004 0.000 3/27720 770.0 0.182 0.131 0.176 0.000 -0.004 0.000 3/27720 780.0 0.180 0.129 0.174 0.000 -0.004 0.000 3/27720 790.0 0.178 0.128 0.172 0.000 -0.004 0.000 3/27720 800.0 0.176 0.127 0.170 0.000 -0.004 0.000 3/27720 810.0 0.174 0.125 0.169 0.000 -0.004 0.000 3/27720 820.0 0.172 0.124 0.167 0.000 -0.004 0.000 3/27720 830.0 0.170 0.123 0.166 0.000 -0.004 0.000 3/27720 840.0 0.169 0.121 0.164 0.000 -0.004 0.000 3/27720 850.0 0.167 0.120 0.162 0.000 -0.004 0.000 3/27720 860.0 0.165 0.119 0.161 0.000 -0.004 0.000 3/27720 870.0 0.164 0.118 0.159 0.000 -0.004 0.000 3/27720 880.0 0.162 0.117 0.158 0.000 -0.004 0.000 3/27720 890.0 0.160 0.116 0.156 0.000 -0.004 0.000 3/27720 900.0 0.159 0.115 0.155 0.000 -0.004 0.000 3/27720 910.0 0.157 0.113 0.154 0.000 -0.004 0.000 3/27720 920.0 0.156 0.112 0.152 0.000 -0.004 0.000 3/27720 930.0 0.154 0.111 0.151 0.000 -0.004 0.000 3/27720 940.0 0.153 0.110 0.150 0.000 -0.004 0.000 3/27720 950.0 0.151 0.109 0.148 0.000 -0.004 0.000 3/27720 960.0 0.150 0.108 0.147 0.000 -0.004 0.000 3/27720 970.0 0.149 0.107 0.146 0.000 -0.004 0.000 3/27720 980.0 0.147 0.106 0.144 0.000 -0.004 0.000 3/27720 990.0 0.146 0.105 0.143 0.000 -0.004 0.000 3/27720 1000.0 0.145 0.104 0.142 0.000 -0.004 0.000 3/27720 Thermal conductivity related properties were written into "kappa-m765.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:53:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|