----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:02:04]------------------------- 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: [1 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.928946584477206 -6.729841279999999 0.000000000000000 b 7.928946584477206 6.729841279999999 0.000000000000000 c -3.380474624663895 0.000000000000000 6.497781773669055 Atomic positions (fractional): *1 Na 0.17418062387431 0.01057689923485 0.63799794665122 22.990 2 Na 0.98942310076515 0.82581937612569 0.86200205334878 22.990 3 Na 0.82581937612570 0.98942310076515 0.36200205334878 22.990 4 Na 0.01057689923485 0.17418062387430 0.13799794665122 22.990 *5 Na 0.36254033896239 0.22940474042753 0.18162580944661 22.990 6 Na 0.77059525957247 0.63745966103761 0.31837419055339 22.990 7 Na 0.63745966103761 0.77059525957247 0.81837419055339 22.990 8 Na 0.22940474042753 0.36254033896239 0.68162580944661 22.990 *9 Na 0.27711161253430 0.72288838746570 0.75000000000000 22.990 10 Na 0.72288838746570 0.27711161253430 0.25000000000000 22.990 *11 Na 0.56274697154562 0.43725302845438 0.75000000000000 22.990 12 Na 0.43725302845438 0.56274697154562 0.25000000000000 22.990 *13 S 0.41318829391191 0.88483274357663 0.56385379111128 32.065 14 S 0.88483274357663 0.41318829391191 0.06385379111128 32.065 15 S 0.11516725642337 0.58681170608809 0.93614620888872 32.065 16 S 0.58681170608809 0.11516725642337 0.43614620888872 32.065 *17 S 0.21657865233885 0.99440232111216 0.02864447076367 32.065 18 S 0.00559767888784 0.78342134766115 0.47135552923633 32.065 19 S 0.78342134766115 0.00559767888784 0.97135552923632 32.065 20 S 0.99440232111216 0.21657865233885 0.52864447076368 32.065 *21 S 0.52700235556443 0.70500169805706 0.06008204206087 32.065 22 S 0.29499830194294 0.47299764443557 0.43991795793913 32.065 23 S 0.47299764443557 0.29499830194294 0.93991795793913 32.065 24 S 0.70500169805706 0.52700235556443 0.56008204206087 32.065 *25 In 0.91662860826672 0.42818663502207 0.74817229829123 114.818 26 In 0.08337139173328 0.57181336497792 0.25182770170877 114.818 27 In 0.42818663502207 0.91662860826672 0.24817229829123 114.818 28 In 0.57181336497792 0.08337139173328 0.75182770170877 114.818 -------------------------------- unit cell --------------------------------- Lattice vectors: a 15.857893168954412 0.000000000000000 0.000000000000000 b 0.000000000000000 13.459682559999997 0.000000000000000 c -3.380474624663895 0.000000000000000 6.497781773669055 Atomic positions (fractional): *1 Na 0.59237876155458 0.41819813768027 0.63799794665122 22.990 > 1 2 Na 0.40762123844542 0.41819813768027 0.86200205334878 22.990 > 2 3 Na 0.40762123844542 0.58180186231973 0.36200205334878 22.990 > 3 4 Na 0.59237876155458 0.58180186231973 0.13799794665122 22.990 > 4 *5 Na 0.79597253969496 0.43343220073257 0.18162580944661 22.990 > 5 6 Na 0.20402746030504 0.43343220073257 0.31837419055339 22.990 > 6 7 Na 0.20402746030504 0.56656779926743 0.81837419055339 22.990 > 7 8 Na 0.79597253969496 0.56656779926743 0.68162580944661 22.990 > 8 *9 Na 0.00000000000000 0.72288838746570 0.75000000000000 22.990 > 9 10 Na 0.00000000000000 0.27711161253430 0.25000000000000 22.990 > 10 *11 Na 0.00000000000000 0.43725302845438 0.75000000000000 22.990 > 11 12 Na 0.00000000000000 0.56274697154562 0.25000000000000 22.990 > 12 13 Na 0.09237876155458 0.91819813768027 0.63799794665122 22.990 > 1 14 Na 0.90762123844542 0.91819813768027 0.86200205334878 22.990 > 2 15 Na 0.90762123844542 0.08180186231973 0.36200205334878 22.990 > 3 16 Na 0.09237876155458 0.08180186231973 0.13799794665122 22.990 > 4 17 Na 0.29597253969496 0.93343220073257 0.18162580944661 22.990 > 5 18 Na 0.70402746030504 0.93343220073257 0.31837419055339 22.990 > 6 19 Na 0.70402746030504 0.06656779926743 0.81837419055339 22.990 > 7 20 Na 0.29597253969496 0.06656779926743 0.68162580944661 22.990 > 8 21 Na 0.50000000000000 0.22288838746570 0.75000000000000 22.990 > 9 22 Na 0.50000000000000 0.77711161253430 0.25000000000000 22.990 > 10 23 Na 0.50000000000000 0.93725302845438 0.75000000000000 22.990 > 11 24 Na 0.50000000000000 0.06274697154562 0.25000000000000 22.990 > 12 *25 S 0.14901051874427 0.73582222483236 0.56385379111128 32.065 > 13 26 S 0.14901051874427 0.26417777516764 0.06385379111128 32.065 > 14 27 S 0.85098948125573 0.73582222483236 0.93614620888872 32.065 > 15 28 S 0.85098948125573 0.26417777516764 0.43614620888872 32.065 > 16 *29 S 0.10549048672550 0.88891183438665 0.02864447076367 32.065 > 17 30 S 0.89450951327450 0.88891183438665 0.47135552923633 32.065 > 18 31 S 0.89450951327450 0.11108816561335 0.97135552923632 32.065 > 19 32 S 0.10549048672550 0.11108816561335 0.52864447076368 32.065 > 20 *33 S 0.11600202681075 0.58899967124632 0.06008204206087 32.065 > 21 34 S 0.88399797318925 0.58899967124632 0.43991795793913 32.065 > 22 35 S 0.88399797318925 0.41100032875368 0.93991795793913 32.065 > 23 36 S 0.11600202681075 0.41100032875368 0.56008204206087 32.065 > 24 37 S 0.64901051874427 0.23582222483236 0.56385379111128 32.065 > 13 38 S 0.64901051874427 0.76417777516764 0.06385379111128 32.065 > 14 39 S 0.35098948125573 0.23582222483236 0.93614620888872 32.065 > 15 40 S 0.35098948125573 0.76417777516764 0.43614620888872 32.065 > 16 41 S 0.60549048672550 0.38891183438665 0.02864447076367 32.065 > 17 42 S 0.39450951327450 0.38891183438665 0.47135552923633 32.065 > 18 43 S 0.39450951327450 0.61108816561335 0.97135552923632 32.065 > 19 44 S 0.60549048672550 0.61108816561335 0.52864447076368 32.065 > 20 45 S 0.61600202681075 0.08899967124632 0.06008204206087 32.065 > 21 46 S 0.38399797318925 0.08899967124632 0.43991795793913 32.065 > 22 47 S 0.38399797318925 0.91100032875368 0.93991795793913 32.065 > 23 48 S 0.61600202681075 0.91100032875368 0.56008204206087 32.065 > 24 *49 In 0.17240762164440 0.25577901337768 0.74817229829123 114.818 > 25 50 In 0.82759237835560 0.74422098662232 0.25182770170877 114.818 > 26 51 In 0.17240762164440 0.74422098662232 0.24817229829123 114.818 > 27 52 In 0.82759237835560 0.25577901337768 0.75182770170877 114.818 > 28 53 In 0.67240762164440 0.75577901337768 0.74817229829123 114.818 > 25 54 In 0.32759237835560 0.24422098662232 0.25182770170877 114.818 > 26 55 In 0.67240762164440 0.24422098662232 0.24817229829123 114.818 > 27 56 In 0.32759237835560 0.75577901337768 0.75182770170877 114.818 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.857893168954412 0.000000000000000 0.000000000000000 b 0.000000000000000 13.459682559999997 0.000000000000000 c -6.760949249327790 0.000000000000000 12.995563547338110 Atomic positions (fractional): *1 Na 0.59237876155458 0.41819813768027 0.31899897332561 22.990 > 1 2 Na 0.59237876155458 0.41819813768027 0.81899897332561 22.990 > 1 3 Na 0.40762123844542 0.41819813768027 0.43100102667439 22.990 > 2 4 Na 0.40762123844542 0.41819813768027 0.93100102667439 22.990 > 2 5 Na 0.40762123844542 0.58180186231973 0.18100102667439 22.990 > 3 6 Na 0.40762123844542 0.58180186231973 0.68100102667439 22.990 > 3 7 Na 0.59237876155458 0.58180186231973 0.06899897332561 22.990 > 4 8 Na 0.59237876155458 0.58180186231973 0.56899897332561 22.990 > 4 *9 Na 0.79597253969496 0.43343220073257 0.09081290472331 22.990 > 5 10 Na 0.79597253969496 0.43343220073257 0.59081290472331 22.990 > 5 11 Na 0.20402746030504 0.43343220073257 0.15918709527669 22.990 > 6 12 Na 0.20402746030504 0.43343220073257 0.65918709527669 22.990 > 6 13 Na 0.20402746030504 0.56656779926743 0.40918709527669 22.990 > 7 14 Na 0.20402746030504 0.56656779926743 0.90918709527669 22.990 > 7 15 Na 0.79597253969496 0.56656779926743 0.34081290472331 22.990 > 8 16 Na 0.79597253969496 0.56656779926743 0.84081290472331 22.990 > 8 *17 Na 0.00000000000000 0.72288838746570 0.37500000000000 22.990 > 9 18 Na 0.00000000000000 0.72288838746570 0.87500000000000 22.990 > 9 19 Na 0.00000000000000 0.27711161253430 0.12500000000000 22.990 > 10 20 Na 0.00000000000000 0.27711161253430 0.62500000000000 22.990 > 10 *21 Na 0.00000000000000 0.43725302845438 0.37500000000000 22.990 > 11 22 Na 0.00000000000000 0.43725302845438 0.87500000000000 22.990 > 11 23 Na 0.00000000000000 0.56274697154562 0.12500000000000 22.990 > 12 24 Na 0.00000000000000 0.56274697154562 0.62500000000000 22.990 > 12 25 Na 0.09237876155458 0.91819813768027 0.31899897332561 22.990 > 1 26 Na 0.09237876155458 0.91819813768027 0.81899897332561 22.990 > 1 27 Na 0.90762123844542 0.91819813768027 0.43100102667439 22.990 > 2 28 Na 0.90762123844542 0.91819813768027 0.93100102667439 22.990 > 2 29 Na 0.90762123844542 0.08180186231973 0.18100102667439 22.990 > 3 30 Na 0.90762123844542 0.08180186231973 0.68100102667439 22.990 > 3 31 Na 0.09237876155458 0.08180186231973 0.06899897332561 22.990 > 4 32 Na 0.09237876155458 0.08180186231973 0.56899897332561 22.990 > 4 33 Na 0.29597253969496 0.93343220073257 0.09081290472331 22.990 > 5 34 Na 0.29597253969496 0.93343220073257 0.59081290472331 22.990 > 5 35 Na 0.70402746030504 0.93343220073257 0.15918709527669 22.990 > 6 36 Na 0.70402746030504 0.93343220073257 0.65918709527669 22.990 > 6 37 Na 0.70402746030504 0.06656779926743 0.40918709527669 22.990 > 7 38 Na 0.70402746030504 0.06656779926743 0.90918709527669 22.990 > 7 39 Na 0.29597253969496 0.06656779926743 0.34081290472331 22.990 > 8 40 Na 0.29597253969496 0.06656779926743 0.84081290472331 22.990 > 8 41 Na 0.50000000000000 0.22288838746570 0.37500000000000 22.990 > 9 42 Na 0.50000000000000 0.22288838746570 0.87500000000000 22.990 > 9 43 Na 0.50000000000000 0.77711161253430 0.12500000000000 22.990 > 10 44 Na 0.50000000000000 0.77711161253430 0.62500000000000 22.990 > 10 45 Na 0.50000000000000 0.93725302845438 0.37500000000000 22.990 > 11 46 Na 0.50000000000000 0.93725302845438 0.87500000000000 22.990 > 11 47 Na 0.50000000000000 0.06274697154562 0.12500000000000 22.990 > 12 48 Na 0.50000000000000 0.06274697154562 0.62500000000000 22.990 > 12 *49 S 0.14901051874427 0.73582222483236 0.28192689555564 32.065 > 13 50 S 0.14901051874427 0.73582222483236 0.78192689555564 32.065 > 13 51 S 0.14901051874427 0.26417777516764 0.03192689555564 32.065 > 14 52 S 0.14901051874427 0.26417777516764 0.53192689555564 32.065 > 14 53 S 0.85098948125573 0.73582222483236 0.46807310444436 32.065 > 15 54 S 0.85098948125573 0.73582222483236 0.96807310444436 32.065 > 15 55 S 0.85098948125573 0.26417777516764 0.21807310444436 32.065 > 16 56 S 0.85098948125573 0.26417777516764 0.71807310444436 32.065 > 16 *57 S 0.10549048672550 0.88891183438665 0.01432223538184 32.065 > 17 58 S 0.10549048672550 0.88891183438665 0.51432223538184 32.065 > 17 59 S 0.89450951327450 0.88891183438665 0.23567776461816 32.065 > 18 60 S 0.89450951327450 0.88891183438665 0.73567776461816 32.065 > 18 61 S 0.89450951327450 0.11108816561335 0.48567776461816 32.065 > 19 62 S 0.89450951327450 0.11108816561335 0.98567776461816 32.065 > 19 63 S 0.10549048672550 0.11108816561335 0.26432223538184 32.065 > 20 64 S 0.10549048672550 0.11108816561335 0.76432223538184 32.065 > 20 *65 S 0.11600202681075 0.58899967124632 0.03004102103044 32.065 > 21 66 S 0.11600202681075 0.58899967124632 0.53004102103044 32.065 > 21 67 S 0.88399797318925 0.58899967124632 0.21995897896956 32.065 > 22 68 S 0.88399797318925 0.58899967124632 0.71995897896956 32.065 > 22 69 S 0.88399797318925 0.41100032875368 0.46995897896956 32.065 > 23 70 S 0.88399797318925 0.41100032875368 0.96995897896956 32.065 > 23 71 S 0.11600202681075 0.41100032875368 0.28004102103044 32.065 > 24 72 S 0.11600202681075 0.41100032875368 0.78004102103044 32.065 > 24 73 S 0.64901051874427 0.23582222483236 0.28192689555564 32.065 > 13 74 S 0.64901051874427 0.23582222483236 0.78192689555564 32.065 > 13 75 S 0.64901051874427 0.76417777516764 0.03192689555564 32.065 > 14 76 S 0.64901051874427 0.76417777516764 0.53192689555564 32.065 > 14 77 S 0.35098948125573 0.23582222483236 0.46807310444436 32.065 > 15 78 S 0.35098948125573 0.23582222483236 0.96807310444436 32.065 > 15 79 S 0.35098948125573 0.76417777516764 0.21807310444436 32.065 > 16 80 S 0.35098948125573 0.76417777516764 0.71807310444436 32.065 > 16 81 S 0.60549048672550 0.38891183438665 0.01432223538184 32.065 > 17 82 S 0.60549048672550 0.38891183438665 0.51432223538184 32.065 > 17 83 S 0.39450951327450 0.38891183438665 0.23567776461816 32.065 > 18 84 S 0.39450951327450 0.38891183438665 0.73567776461816 32.065 > 18 85 S 0.39450951327450 0.61108816561335 0.48567776461816 32.065 > 19 86 S 0.39450951327450 0.61108816561335 0.98567776461816 32.065 > 19 87 S 0.60549048672550 0.61108816561335 0.26432223538184 32.065 > 20 88 S 0.60549048672550 0.61108816561335 0.76432223538184 32.065 > 20 89 S 0.61600202681075 0.08899967124632 0.03004102103044 32.065 > 21 90 S 0.61600202681075 0.08899967124632 0.53004102103044 32.065 > 21 91 S 0.38399797318925 0.08899967124632 0.21995897896956 32.065 > 22 92 S 0.38399797318925 0.08899967124632 0.71995897896956 32.065 > 22 93 S 0.38399797318925 0.91100032875368 0.46995897896956 32.065 > 23 94 S 0.38399797318925 0.91100032875368 0.96995897896956 32.065 > 23 95 S 0.61600202681075 0.91100032875368 0.28004102103044 32.065 > 24 96 S 0.61600202681075 0.91100032875368 0.78004102103044 32.065 > 24 *97 In 0.17240762164440 0.25577901337768 0.37408614914561 114.818 > 25 98 In 0.17240762164440 0.25577901337768 0.87408614914561 114.818 > 25 99 In 0.82759237835560 0.74422098662232 0.12591385085439 114.818 > 26 100 In 0.82759237835560 0.74422098662232 0.62591385085439 114.818 > 26 101 In 0.17240762164440 0.74422098662232 0.12408614914561 114.818 > 27 102 In 0.17240762164440 0.74422098662232 0.62408614914561 114.818 > 27 103 In 0.82759237835560 0.25577901337768 0.37591385085439 114.818 > 28 104 In 0.82759237835560 0.25577901337768 0.87591385085439 114.818 > 28 105 In 0.67240762164440 0.75577901337768 0.37408614914561 114.818 > 25 106 In 0.67240762164440 0.75577901337768 0.87408614914561 114.818 > 25 107 In 0.32759237835560 0.24422098662232 0.12591385085439 114.818 > 26 108 In 0.32759237835560 0.24422098662232 0.62591385085439 114.818 > 26 109 In 0.67240762164440 0.24422098662232 0.12408614914561 114.818 > 27 110 In 0.67240762164440 0.24422098662232 0.62408614914561 114.818 > 27 111 In 0.32759237835560 0.75577901337768 0.37591385085439 114.818 > 28 112 In 0.32759237835560 0.75577901337768 0.87591385085439 114.818 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8242099 0.0000000 0.1218679 0.0000000 4.0509468 0.0000000 0.1219146 0.0000000 4.2981283 -------------------------- Born effective charges -------------------------- 1 Na 1.1120461 -0.0926955 -0.0011892 0.1407039 1.1585406 -0.1591361 0.0356924 0.0649215 1.0225537 2 Na 1.1120461 0.0926955 -0.0011892 -0.1407039 1.1585406 0.1591361 0.0356924 -0.0649215 1.0225537 3 Na 1.1120461 -0.0926955 -0.0011892 0.1407039 1.1585406 -0.1591361 0.0356924 0.0649215 1.0225537 4 Na 1.1120461 0.0926955 -0.0011892 -0.1407039 1.1585406 0.1591361 0.0356924 -0.0649215 1.0225537 5 Na 0.9578444 0.1656370 -0.0968435 0.0735560 1.0999767 0.1770210 -0.1284453 -0.0731248 0.9227045 6 Na 0.9578444 -0.1656370 -0.0968435 -0.0735560 1.0999767 -0.1770210 -0.1284453 0.0731248 0.9227045 7 Na 0.9578444 0.1656370 -0.0968435 0.0735560 1.0999767 0.1770210 -0.1284453 -0.0731248 0.9227045 8 Na 0.9578444 -0.1656370 -0.0968435 -0.0735560 1.0999767 -0.1770210 -0.1284453 0.0731248 0.9227045 9 Na 1.2953873 0.0000000 -0.0067407 0.0000000 0.8516730 0.0000000 0.0475947 0.0000000 1.3011167 10 Na 1.2953873 0.0000000 -0.0067407 0.0000000 0.8516730 0.0000000 0.0475947 0.0000000 1.3011167 11 Na 1.2389720 0.0000000 0.1499228 0.0000000 1.2993873 0.0000000 0.1762755 0.0000000 1.1848759 12 Na 1.2389720 0.0000000 0.1499228 0.0000000 1.2993873 0.0000000 0.1762755 0.0000000 1.1848759 13 S -2.0405382 -0.1533160 -0.0248065 -0.1362543 -1.2633108 -0.0798310 -0.0005827 -0.0049121 -2.2029963 14 S -2.0405382 0.1533160 -0.0248065 0.1362543 -1.2633108 0.0798310 -0.0005827 0.0049121 -2.2029963 15 S -2.0405382 0.1533160 -0.0248065 0.1362543 -1.2633108 0.0798310 -0.0005827 0.0049121 -2.2029963 16 S -2.0405382 -0.1533160 -0.0248065 -0.1362543 -1.2633108 -0.0798310 -0.0005827 -0.0049121 -2.2029963 17 S -1.5112510 0.1145147 -0.1835366 0.1135493 -2.1556794 0.3029223 -0.1884219 0.4689628 -1.9553589 18 S -1.5112510 -0.1145147 -0.1835366 -0.1135493 -2.1556794 -0.3029223 -0.1884219 -0.4689628 -1.9553589 19 S -1.5112510 0.1145147 -0.1835366 0.1135493 -2.1556794 0.3029223 -0.1884219 0.4689628 -1.9553589 20 S -1.5112510 -0.1145147 -0.1835366 -0.1135493 -2.1556794 -0.3029223 -0.1884219 -0.4689628 -1.9553589 21 S -1.4771231 -0.0721400 -0.0403716 -0.1230523 -2.2811765 -0.3394574 -0.0354497 -0.4882528 -1.9282834 22 S -1.4771231 0.0721400 -0.0403716 0.1230523 -2.2811765 0.3394574 -0.0354497 0.4882528 -1.9282834 23 S -1.4771231 -0.0721400 -0.0403716 -0.1230523 -2.2811765 -0.3394574 -0.0354497 -0.4882528 -1.9282834 24 S -1.4771231 0.0721400 -0.0403716 0.1230523 -2.2811765 0.3394574 -0.0354497 0.4882528 -1.9282834 25 In 1.6918422 -0.0872893 0.2751563 -0.1400273 2.3661193 -0.0178034 0.2052721 0.0326243 2.8983841 26 In 1.6918422 -0.0872893 0.2751563 -0.1400273 2.3661193 -0.0178034 0.2052721 0.0326243 2.8983841 27 In 1.6918422 0.0872893 0.2751563 0.1400273 2.3661193 0.0178034 0.2052721 -0.0326243 2.8983841 28 In 1.6918422 0.0872893 0.2751563 0.1400273 2.3661193 0.0178034 0.2052721 -0.0326243 2.8983841 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 16932/16932 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3658 Number of blocks in projector: 3658 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: 792 Use submatrix version of eigh solver. (1) Block: 500 / 792 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 792 / 792 (1) 281 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 776 Use submatrix version of eigh solver. (1) Block: 500 / 776 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 776 / 776 (1) 266 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 776 Use submatrix version of eigh solver. (1) Block: 500 / 776 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 776 / 776 (1) 266 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 438 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 438 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 438 Use standard eigh solver. Tree of FC basis block matrices: - (3658, 3595), data: False |-- (438, 430), data: True |-- (438, 430), data: True |-- (438, 430), data: True |-- (776, 764), data: False |-- (776, 10), data: (776, 22) @ (22, 10) |-- (276, 266), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (776, 764), data: False |-- (776, 10), data: (776, 22) @ (22, 10) |-- (276, 266), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (792, 777), data: False |-- (792, 11), data: (792, 26) @ (26, 11) |-- (292, 281), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 0.963 Solver_block: 200 / 880 - Time: 0.834 Solver_block: 300 / 880 - Time: 0.833 Solver_block: 400 / 880 - Time: 0.827 Solver_block: 500 / 880 - Time: 0.845 Solver_block: 600 / 880 - Time: 0.842 Solver_block: 700 / 880 - Time: 0.834 Solver_block: 800 / 880 - Time: 0.844 Solver_block: 880 / 880 - Time: 0.699 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.692 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 16932/16932 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3658 Number of blocks in projector: 3658 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: 792 Use submatrix version of eigh solver. (1) Block: 500 / 792 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 792 / 792 (1) 281 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 776 Use submatrix version of eigh solver. (1) Block: 500 / 776 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 776 / 776 (1) 266 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 776 Use submatrix version of eigh solver. (1) Block: 500 / 776 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 776 / 776 (1) 266 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 438 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 438 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 438 Use standard eigh solver. Tree of FC basis block matrices: - (3658, 3595), data: False |-- (438, 430), data: True |-- (438, 430), data: True |-- (438, 430), data: True |-- (776, 764), data: False |-- (776, 10), data: (776, 22) @ (22, 10) |-- (276, 266), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (776, 764), data: False |-- (776, 10), data: (776, 22) @ (22, 10) |-- (276, 266), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (792, 777), data: False |-- (792, 11), data: (792, 26) @ (26, 11) |-- (292, 281), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), 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 2026-01-08 08:02:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:02:49]------------------------- 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): [1 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.928946584477206 -6.729841279999999 0.000000000000000 b 7.928946584477206 6.729841279999999 0.000000000000000 c -3.380474624663895 0.000000000000000 6.497781773669055 Atomic positions (fractional): 1 Na 0.17418062387431 0.01057689923485 0.63799794665122 22.990 2 Na 0.98942310076515 0.82581937612569 0.86200205334878 22.990 3 Na 0.82581937612570 0.98942310076515 0.36200205334878 22.990 4 Na 0.01057689923485 0.17418062387430 0.13799794665122 22.990 5 Na 0.36254033896239 0.22940474042753 0.18162580944661 22.990 6 Na 0.77059525957247 0.63745966103761 0.31837419055339 22.990 7 Na 0.63745966103761 0.77059525957247 0.81837419055339 22.990 8 Na 0.22940474042753 0.36254033896239 0.68162580944661 22.990 9 Na 0.27711161253430 0.72288838746570 0.75000000000000 22.990 10 Na 0.72288838746570 0.27711161253430 0.25000000000000 22.990 11 Na 0.56274697154562 0.43725302845438 0.75000000000000 22.990 12 Na 0.43725302845438 0.56274697154562 0.25000000000000 22.990 13 S 0.41318829391191 0.88483274357663 0.56385379111128 32.065 14 S 0.88483274357663 0.41318829391191 0.06385379111128 32.065 15 S 0.11516725642337 0.58681170608809 0.93614620888872 32.065 16 S 0.58681170608809 0.11516725642337 0.43614620888872 32.065 17 S 0.21657865233885 0.99440232111216 0.02864447076367 32.065 18 S 0.00559767888784 0.78342134766115 0.47135552923633 32.065 19 S 0.78342134766115 0.00559767888784 0.97135552923632 32.065 20 S 0.99440232111216 0.21657865233885 0.52864447076368 32.065 21 S 0.52700235556443 0.70500169805706 0.06008204206087 32.065 22 S 0.29499830194294 0.47299764443557 0.43991795793913 32.065 23 S 0.47299764443557 0.29499830194294 0.93991795793913 32.065 24 S 0.70500169805706 0.52700235556443 0.56008204206087 32.065 25 In 0.91662860826672 0.42818663502207 0.74817229829123 114.818 26 In 0.08337139173328 0.57181336497792 0.25182770170877 114.818 27 In 0.42818663502207 0.91662860826672 0.24817229829123 114.818 28 In 0.57181336497792 0.08337139173328 0.75182770170877 114.818 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.857893168954412 0.000000000000000 0.000000000000000 b 0.000000000000000 13.459682559999997 0.000000000000000 c -6.760949249327790 0.000000000000000 12.995563547338110 Atomic positions (fractional): 1 Na 0.59237876155458 0.41819813768027 0.31899897332561 22.990 > 1 2 Na 0.59237876155458 0.41819813768027 0.81899897332561 22.990 > 1 3 Na 0.40762123844542 0.41819813768027 0.43100102667439 22.990 > 3 4 Na 0.40762123844542 0.41819813768027 0.93100102667439 22.990 > 3 5 Na 0.40762123844542 0.58180186231973 0.18100102667439 22.990 > 5 6 Na 0.40762123844542 0.58180186231973 0.68100102667439 22.990 > 5 7 Na 0.59237876155458 0.58180186231973 0.06899897332561 22.990 > 7 8 Na 0.59237876155458 0.58180186231973 0.56899897332561 22.990 > 7 9 Na 0.79597253969496 0.43343220073257 0.09081290472331 22.990 > 9 10 Na 0.79597253969496 0.43343220073257 0.59081290472331 22.990 > 9 11 Na 0.20402746030504 0.43343220073257 0.15918709527669 22.990 > 11 12 Na 0.20402746030504 0.43343220073257 0.65918709527669 22.990 > 11 13 Na 0.20402746030504 0.56656779926743 0.40918709527669 22.990 > 13 14 Na 0.20402746030504 0.56656779926743 0.90918709527669 22.990 > 13 15 Na 0.79597253969496 0.56656779926743 0.34081290472331 22.990 > 15 16 Na 0.79597253969496 0.56656779926743 0.84081290472331 22.990 > 15 17 Na 0.00000000000000 0.72288838746570 0.37500000000000 22.990 > 17 18 Na 0.00000000000000 0.72288838746570 0.87500000000000 22.990 > 17 19 Na 0.00000000000000 0.27711161253430 0.12500000000000 22.990 > 19 20 Na 0.00000000000000 0.27711161253430 0.62500000000000 22.990 > 19 21 Na 0.00000000000000 0.43725302845438 0.37500000000000 22.990 > 21 22 Na 0.00000000000000 0.43725302845438 0.87500000000000 22.990 > 21 23 Na 0.00000000000000 0.56274697154562 0.12500000000000 22.990 > 23 24 Na 0.00000000000000 0.56274697154562 0.62500000000000 22.990 > 23 25 Na 0.09237876155458 0.91819813768027 0.31899897332561 22.990 > 1 26 Na 0.09237876155458 0.91819813768027 0.81899897332561 22.990 > 1 27 Na 0.90762123844542 0.91819813768027 0.43100102667439 22.990 > 3 28 Na 0.90762123844542 0.91819813768027 0.93100102667439 22.990 > 3 29 Na 0.90762123844542 0.08180186231973 0.18100102667439 22.990 > 5 30 Na 0.90762123844542 0.08180186231973 0.68100102667439 22.990 > 5 31 Na 0.09237876155458 0.08180186231973 0.06899897332561 22.990 > 7 32 Na 0.09237876155458 0.08180186231973 0.56899897332561 22.990 > 7 33 Na 0.29597253969496 0.93343220073257 0.09081290472331 22.990 > 9 34 Na 0.29597253969496 0.93343220073257 0.59081290472331 22.990 > 9 35 Na 0.70402746030504 0.93343220073257 0.15918709527669 22.990 > 11 36 Na 0.70402746030504 0.93343220073257 0.65918709527669 22.990 > 11 37 Na 0.70402746030504 0.06656779926743 0.40918709527669 22.990 > 13 38 Na 0.70402746030504 0.06656779926743 0.90918709527669 22.990 > 13 39 Na 0.29597253969496 0.06656779926743 0.34081290472331 22.990 > 15 40 Na 0.29597253969496 0.06656779926743 0.84081290472331 22.990 > 15 41 Na 0.50000000000000 0.22288838746570 0.37500000000000 22.990 > 17 42 Na 0.50000000000000 0.22288838746570 0.87500000000000 22.990 > 17 43 Na 0.50000000000000 0.77711161253430 0.12500000000000 22.990 > 19 44 Na 0.50000000000000 0.77711161253430 0.62500000000000 22.990 > 19 45 Na 0.50000000000000 0.93725302845438 0.37500000000000 22.990 > 21 46 Na 0.50000000000000 0.93725302845438 0.87500000000000 22.990 > 21 47 Na 0.50000000000000 0.06274697154562 0.12500000000000 22.990 > 23 48 Na 0.50000000000000 0.06274697154562 0.62500000000000 22.990 > 23 49 S 0.14901051874427 0.73582222483236 0.28192689555564 32.065 > 49 50 S 0.14901051874427 0.73582222483236 0.78192689555564 32.065 > 49 51 S 0.14901051874427 0.26417777516764 0.03192689555564 32.065 > 51 52 S 0.14901051874427 0.26417777516764 0.53192689555564 32.065 > 51 53 S 0.85098948125573 0.73582222483236 0.46807310444436 32.065 > 53 54 S 0.85098948125573 0.73582222483236 0.96807310444436 32.065 > 53 55 S 0.85098948125573 0.26417777516764 0.21807310444436 32.065 > 55 56 S 0.85098948125573 0.26417777516764 0.71807310444436 32.065 > 55 57 S 0.10549048672550 0.88891183438665 0.01432223538184 32.065 > 57 58 S 0.10549048672550 0.88891183438665 0.51432223538184 32.065 > 57 59 S 0.89450951327450 0.88891183438665 0.23567776461816 32.065 > 59 60 S 0.89450951327450 0.88891183438665 0.73567776461816 32.065 > 59 61 S 0.89450951327450 0.11108816561335 0.48567776461816 32.065 > 61 62 S 0.89450951327450 0.11108816561335 0.98567776461816 32.065 > 61 63 S 0.10549048672550 0.11108816561335 0.26432223538184 32.065 > 63 64 S 0.10549048672550 0.11108816561335 0.76432223538184 32.065 > 63 65 S 0.11600202681075 0.58899967124632 0.03004102103044 32.065 > 65 66 S 0.11600202681075 0.58899967124632 0.53004102103044 32.065 > 65 67 S 0.88399797318925 0.58899967124632 0.21995897896956 32.065 > 67 68 S 0.88399797318925 0.58899967124632 0.71995897896956 32.065 > 67 69 S 0.88399797318925 0.41100032875368 0.46995897896956 32.065 > 69 70 S 0.88399797318925 0.41100032875368 0.96995897896956 32.065 > 69 71 S 0.11600202681075 0.41100032875368 0.28004102103044 32.065 > 71 72 S 0.11600202681075 0.41100032875368 0.78004102103044 32.065 > 71 73 S 0.64901051874427 0.23582222483236 0.28192689555564 32.065 > 49 74 S 0.64901051874427 0.23582222483236 0.78192689555564 32.065 > 49 75 S 0.64901051874427 0.76417777516764 0.03192689555564 32.065 > 51 76 S 0.64901051874427 0.76417777516764 0.53192689555564 32.065 > 51 77 S 0.35098948125573 0.23582222483236 0.46807310444436 32.065 > 53 78 S 0.35098948125573 0.23582222483236 0.96807310444436 32.065 > 53 79 S 0.35098948125573 0.76417777516764 0.21807310444436 32.065 > 55 80 S 0.35098948125573 0.76417777516764 0.71807310444436 32.065 > 55 81 S 0.60549048672550 0.38891183438665 0.01432223538184 32.065 > 57 82 S 0.60549048672550 0.38891183438665 0.51432223538184 32.065 > 57 83 S 0.39450951327450 0.38891183438665 0.23567776461816 32.065 > 59 84 S 0.39450951327450 0.38891183438665 0.73567776461816 32.065 > 59 85 S 0.39450951327450 0.61108816561335 0.48567776461816 32.065 > 61 86 S 0.39450951327450 0.61108816561335 0.98567776461816 32.065 > 61 87 S 0.60549048672550 0.61108816561335 0.26432223538184 32.065 > 63 88 S 0.60549048672550 0.61108816561335 0.76432223538184 32.065 > 63 89 S 0.61600202681075 0.08899967124632 0.03004102103044 32.065 > 65 90 S 0.61600202681075 0.08899967124632 0.53004102103044 32.065 > 65 91 S 0.38399797318925 0.08899967124632 0.21995897896956 32.065 > 67 92 S 0.38399797318925 0.08899967124632 0.71995897896956 32.065 > 67 93 S 0.38399797318925 0.91100032875368 0.46995897896956 32.065 > 69 94 S 0.38399797318925 0.91100032875368 0.96995897896956 32.065 > 69 95 S 0.61600202681075 0.91100032875368 0.28004102103044 32.065 > 71 96 S 0.61600202681075 0.91100032875368 0.78004102103044 32.065 > 71 97 In 0.17240762164440 0.25577901337768 0.37408614914561 114.818 > 97 98 In 0.17240762164440 0.25577901337768 0.87408614914561 114.818 > 97 99 In 0.82759237835560 0.74422098662232 0.12591385085439 114.818 > 99 100 In 0.82759237835560 0.74422098662232 0.62591385085439 114.818 > 99 101 In 0.17240762164440 0.74422098662232 0.12408614914561 114.818 > 101 102 In 0.17240762164440 0.74422098662232 0.62408614914561 114.818 > 101 103 In 0.82759237835560 0.25577901337768 0.37591385085439 114.818 > 103 104 In 0.82759237835560 0.25577901337768 0.87591385085439 114.818 > 103 105 In 0.67240762164440 0.75577901337768 0.37408614914561 114.818 > 97 106 In 0.67240762164440 0.75577901337768 0.87408614914561 114.818 > 97 107 In 0.32759237835560 0.24422098662232 0.12591385085439 114.818 > 99 108 In 0.32759237835560 0.24422098662232 0.62591385085439 114.818 > 99 109 In 0.67240762164440 0.24422098662232 0.12408614914561 114.818 > 101 110 In 0.67240762164440 0.24422098662232 0.62408614914561 114.818 > 101 111 In 0.32759237835560 0.75577901337768 0.37591385085439 114.818 > 103 112 In 0.32759237835560 0.75577901337768 0.87591385085439 114.818 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8242099 0.0000000 0.1218679 0.0000000 4.0509468 0.0000000 0.1219146 0.0000000 4.2981283 -------------------------- Born effective charges -------------------------- 1 Na 1.1120461 -0.0926955 -0.0011892 0.1407039 1.1585406 -0.1591361 0.0356924 0.0649215 1.0225537 2 Na 1.1120461 0.0926955 -0.0011892 -0.1407039 1.1585406 0.1591361 0.0356924 -0.0649215 1.0225537 3 Na 1.1120461 -0.0926955 -0.0011892 0.1407039 1.1585406 -0.1591361 0.0356924 0.0649215 1.0225537 4 Na 1.1120461 0.0926955 -0.0011892 -0.1407039 1.1585406 0.1591361 0.0356924 -0.0649215 1.0225537 5 Na 0.9578444 0.1656370 -0.0968435 0.0735560 1.0999767 0.1770210 -0.1284453 -0.0731248 0.9227045 6 Na 0.9578444 -0.1656370 -0.0968435 -0.0735560 1.0999767 -0.1770210 -0.1284453 0.0731248 0.9227045 7 Na 0.9578444 0.1656370 -0.0968435 0.0735560 1.0999767 0.1770210 -0.1284453 -0.0731248 0.9227045 8 Na 0.9578444 -0.1656370 -0.0968435 -0.0735560 1.0999767 -0.1770210 -0.1284453 0.0731248 0.9227045 9 Na 1.2953873 0.0000000 -0.0067407 0.0000000 0.8516730 0.0000000 0.0475947 0.0000000 1.3011167 10 Na 1.2953873 0.0000000 -0.0067407 0.0000000 0.8516730 0.0000000 0.0475947 0.0000000 1.3011167 11 Na 1.2389720 0.0000000 0.1499228 0.0000000 1.2993873 0.0000000 0.1762755 0.0000000 1.1848759 12 Na 1.2389720 0.0000000 0.1499228 0.0000000 1.2993873 0.0000000 0.1762755 0.0000000 1.1848759 13 S -2.0405382 -0.1533160 -0.0248065 -0.1362543 -1.2633108 -0.0798310 -0.0005827 -0.0049121 -2.2029963 14 S -2.0405382 0.1533160 -0.0248065 0.1362543 -1.2633108 0.0798310 -0.0005827 0.0049121 -2.2029963 15 S -2.0405382 0.1533160 -0.0248065 0.1362543 -1.2633108 0.0798310 -0.0005827 0.0049121 -2.2029963 16 S -2.0405382 -0.1533160 -0.0248065 -0.1362543 -1.2633108 -0.0798310 -0.0005827 -0.0049121 -2.2029963 17 S -1.5112510 0.1145147 -0.1835366 0.1135493 -2.1556794 0.3029223 -0.1884219 0.4689628 -1.9553589 18 S -1.5112510 -0.1145147 -0.1835366 -0.1135493 -2.1556794 -0.3029223 -0.1884219 -0.4689628 -1.9553589 19 S -1.5112510 0.1145147 -0.1835366 0.1135493 -2.1556794 0.3029223 -0.1884219 0.4689628 -1.9553589 20 S -1.5112510 -0.1145147 -0.1835366 -0.1135493 -2.1556794 -0.3029223 -0.1884219 -0.4689628 -1.9553589 21 S -1.4771231 -0.0721400 -0.0403716 -0.1230523 -2.2811765 -0.3394574 -0.0354497 -0.4882528 -1.9282834 22 S -1.4771231 0.0721400 -0.0403716 0.1230523 -2.2811765 0.3394574 -0.0354497 0.4882528 -1.9282834 23 S -1.4771231 -0.0721400 -0.0403716 -0.1230523 -2.2811765 -0.3394574 -0.0354497 -0.4882528 -1.9282834 24 S -1.4771231 0.0721400 -0.0403716 0.1230523 -2.2811765 0.3394574 -0.0354497 0.4882528 -1.9282834 25 In 1.6918422 -0.0872893 0.2751563 -0.1400273 2.3661193 -0.0178034 0.2052721 0.0326243 2.8983841 26 In 1.6918422 -0.0872893 0.2751563 -0.1400273 2.3661193 -0.0178034 0.2052721 0.0326243 2.8983841 27 In 1.6918422 0.0872893 0.2751563 0.1400273 2.3661193 0.0178034 0.2052721 -0.0326243 2.8983841 28 In 1.6918422 0.0872893 0.2751563 0.1400273 2.3661193 0.0178034 0.2052721 -0.0326243 2.8983841 ---------------------------------------------------------------------------- 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (zyz) -0.00000003 (zyz) -0.00000003 (zzy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000012 (xz) 0.00000012 (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 2026-01-08 08:03:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:03:23]------------------------- 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): [1 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.928946584477206 -6.729841279999999 0.000000000000000 b 7.928946584477206 6.729841279999999 0.000000000000000 c -3.380474624663895 0.000000000000000 6.497781773669055 Atomic positions (fractional): 1 Na 0.17418062387431 0.01057689923485 0.63799794665122 22.990 2 Na 0.98942310076515 0.82581937612569 0.86200205334878 22.990 3 Na 0.82581937612570 0.98942310076515 0.36200205334878 22.990 4 Na 0.01057689923485 0.17418062387430 0.13799794665122 22.990 5 Na 0.36254033896239 0.22940474042753 0.18162580944661 22.990 6 Na 0.77059525957247 0.63745966103761 0.31837419055339 22.990 7 Na 0.63745966103761 0.77059525957247 0.81837419055339 22.990 8 Na 0.22940474042753 0.36254033896239 0.68162580944661 22.990 9 Na 0.27711161253430 0.72288838746570 0.75000000000000 22.990 10 Na 0.72288838746570 0.27711161253430 0.25000000000000 22.990 11 Na 0.56274697154562 0.43725302845438 0.75000000000000 22.990 12 Na 0.43725302845438 0.56274697154562 0.25000000000000 22.990 13 S 0.41318829391191 0.88483274357663 0.56385379111128 32.065 14 S 0.88483274357663 0.41318829391191 0.06385379111128 32.065 15 S 0.11516725642337 0.58681170608809 0.93614620888872 32.065 16 S 0.58681170608809 0.11516725642337 0.43614620888872 32.065 17 S 0.21657865233885 0.99440232111216 0.02864447076367 32.065 18 S 0.00559767888784 0.78342134766115 0.47135552923633 32.065 19 S 0.78342134766115 0.00559767888784 0.97135552923632 32.065 20 S 0.99440232111216 0.21657865233885 0.52864447076368 32.065 21 S 0.52700235556443 0.70500169805706 0.06008204206087 32.065 22 S 0.29499830194294 0.47299764443557 0.43991795793913 32.065 23 S 0.47299764443557 0.29499830194294 0.93991795793913 32.065 24 S 0.70500169805706 0.52700235556443 0.56008204206087 32.065 25 In 0.91662860826672 0.42818663502207 0.74817229829123 114.818 26 In 0.08337139173328 0.57181336497792 0.25182770170877 114.818 27 In 0.42818663502207 0.91662860826672 0.24817229829123 114.818 28 In 0.57181336497792 0.08337139173328 0.75182770170877 114.818 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.857893168954412 0.000000000000000 0.000000000000000 b 0.000000000000000 13.459682559999997 0.000000000000000 c -6.760949249327790 0.000000000000000 12.995563547338110 Atomic positions (fractional): 1 Na 0.59237876155458 0.41819813768027 0.31899897332561 22.990 > 1 2 Na 0.59237876155458 0.41819813768027 0.81899897332561 22.990 > 1 3 Na 0.40762123844542 0.41819813768027 0.43100102667439 22.990 > 3 4 Na 0.40762123844542 0.41819813768027 0.93100102667439 22.990 > 3 5 Na 0.40762123844542 0.58180186231973 0.18100102667439 22.990 > 5 6 Na 0.40762123844542 0.58180186231973 0.68100102667439 22.990 > 5 7 Na 0.59237876155458 0.58180186231973 0.06899897332561 22.990 > 7 8 Na 0.59237876155458 0.58180186231973 0.56899897332561 22.990 > 7 9 Na 0.79597253969496 0.43343220073257 0.09081290472331 22.990 > 9 10 Na 0.79597253969496 0.43343220073257 0.59081290472331 22.990 > 9 11 Na 0.20402746030504 0.43343220073257 0.15918709527669 22.990 > 11 12 Na 0.20402746030504 0.43343220073257 0.65918709527669 22.990 > 11 13 Na 0.20402746030504 0.56656779926743 0.40918709527669 22.990 > 13 14 Na 0.20402746030504 0.56656779926743 0.90918709527669 22.990 > 13 15 Na 0.79597253969496 0.56656779926743 0.34081290472331 22.990 > 15 16 Na 0.79597253969496 0.56656779926743 0.84081290472331 22.990 > 15 17 Na 0.00000000000000 0.72288838746570 0.37500000000000 22.990 > 17 18 Na 0.00000000000000 0.72288838746570 0.87500000000000 22.990 > 17 19 Na 0.00000000000000 0.27711161253430 0.12500000000000 22.990 > 19 20 Na 0.00000000000000 0.27711161253430 0.62500000000000 22.990 > 19 21 Na 0.00000000000000 0.43725302845438 0.37500000000000 22.990 > 21 22 Na 0.00000000000000 0.43725302845438 0.87500000000000 22.990 > 21 23 Na 0.00000000000000 0.56274697154562 0.12500000000000 22.990 > 23 24 Na 0.00000000000000 0.56274697154562 0.62500000000000 22.990 > 23 25 Na 0.09237876155458 0.91819813768027 0.31899897332561 22.990 > 1 26 Na 0.09237876155458 0.91819813768027 0.81899897332561 22.990 > 1 27 Na 0.90762123844542 0.91819813768027 0.43100102667439 22.990 > 3 28 Na 0.90762123844542 0.91819813768027 0.93100102667439 22.990 > 3 29 Na 0.90762123844542 0.08180186231973 0.18100102667439 22.990 > 5 30 Na 0.90762123844542 0.08180186231973 0.68100102667439 22.990 > 5 31 Na 0.09237876155458 0.08180186231973 0.06899897332561 22.990 > 7 32 Na 0.09237876155458 0.08180186231973 0.56899897332561 22.990 > 7 33 Na 0.29597253969496 0.93343220073257 0.09081290472331 22.990 > 9 34 Na 0.29597253969496 0.93343220073257 0.59081290472331 22.990 > 9 35 Na 0.70402746030504 0.93343220073257 0.15918709527669 22.990 > 11 36 Na 0.70402746030504 0.93343220073257 0.65918709527669 22.990 > 11 37 Na 0.70402746030504 0.06656779926743 0.40918709527669 22.990 > 13 38 Na 0.70402746030504 0.06656779926743 0.90918709527669 22.990 > 13 39 Na 0.29597253969496 0.06656779926743 0.34081290472331 22.990 > 15 40 Na 0.29597253969496 0.06656779926743 0.84081290472331 22.990 > 15 41 Na 0.50000000000000 0.22288838746570 0.37500000000000 22.990 > 17 42 Na 0.50000000000000 0.22288838746570 0.87500000000000 22.990 > 17 43 Na 0.50000000000000 0.77711161253430 0.12500000000000 22.990 > 19 44 Na 0.50000000000000 0.77711161253430 0.62500000000000 22.990 > 19 45 Na 0.50000000000000 0.93725302845438 0.37500000000000 22.990 > 21 46 Na 0.50000000000000 0.93725302845438 0.87500000000000 22.990 > 21 47 Na 0.50000000000000 0.06274697154562 0.12500000000000 22.990 > 23 48 Na 0.50000000000000 0.06274697154562 0.62500000000000 22.990 > 23 49 S 0.14901051874427 0.73582222483236 0.28192689555564 32.065 > 49 50 S 0.14901051874427 0.73582222483236 0.78192689555564 32.065 > 49 51 S 0.14901051874427 0.26417777516764 0.03192689555564 32.065 > 51 52 S 0.14901051874427 0.26417777516764 0.53192689555564 32.065 > 51 53 S 0.85098948125573 0.73582222483236 0.46807310444436 32.065 > 53 54 S 0.85098948125573 0.73582222483236 0.96807310444436 32.065 > 53 55 S 0.85098948125573 0.26417777516764 0.21807310444436 32.065 > 55 56 S 0.85098948125573 0.26417777516764 0.71807310444436 32.065 > 55 57 S 0.10549048672550 0.88891183438665 0.01432223538184 32.065 > 57 58 S 0.10549048672550 0.88891183438665 0.51432223538184 32.065 > 57 59 S 0.89450951327450 0.88891183438665 0.23567776461816 32.065 > 59 60 S 0.89450951327450 0.88891183438665 0.73567776461816 32.065 > 59 61 S 0.89450951327450 0.11108816561335 0.48567776461816 32.065 > 61 62 S 0.89450951327450 0.11108816561335 0.98567776461816 32.065 > 61 63 S 0.10549048672550 0.11108816561335 0.26432223538184 32.065 > 63 64 S 0.10549048672550 0.11108816561335 0.76432223538184 32.065 > 63 65 S 0.11600202681075 0.58899967124632 0.03004102103044 32.065 > 65 66 S 0.11600202681075 0.58899967124632 0.53004102103044 32.065 > 65 67 S 0.88399797318925 0.58899967124632 0.21995897896956 32.065 > 67 68 S 0.88399797318925 0.58899967124632 0.71995897896956 32.065 > 67 69 S 0.88399797318925 0.41100032875368 0.46995897896956 32.065 > 69 70 S 0.88399797318925 0.41100032875368 0.96995897896956 32.065 > 69 71 S 0.11600202681075 0.41100032875368 0.28004102103044 32.065 > 71 72 S 0.11600202681075 0.41100032875368 0.78004102103044 32.065 > 71 73 S 0.64901051874427 0.23582222483236 0.28192689555564 32.065 > 49 74 S 0.64901051874427 0.23582222483236 0.78192689555564 32.065 > 49 75 S 0.64901051874427 0.76417777516764 0.03192689555564 32.065 > 51 76 S 0.64901051874427 0.76417777516764 0.53192689555564 32.065 > 51 77 S 0.35098948125573 0.23582222483236 0.46807310444436 32.065 > 53 78 S 0.35098948125573 0.23582222483236 0.96807310444436 32.065 > 53 79 S 0.35098948125573 0.76417777516764 0.21807310444436 32.065 > 55 80 S 0.35098948125573 0.76417777516764 0.71807310444436 32.065 > 55 81 S 0.60549048672550 0.38891183438665 0.01432223538184 32.065 > 57 82 S 0.60549048672550 0.38891183438665 0.51432223538184 32.065 > 57 83 S 0.39450951327450 0.38891183438665 0.23567776461816 32.065 > 59 84 S 0.39450951327450 0.38891183438665 0.73567776461816 32.065 > 59 85 S 0.39450951327450 0.61108816561335 0.48567776461816 32.065 > 61 86 S 0.39450951327450 0.61108816561335 0.98567776461816 32.065 > 61 87 S 0.60549048672550 0.61108816561335 0.26432223538184 32.065 > 63 88 S 0.60549048672550 0.61108816561335 0.76432223538184 32.065 > 63 89 S 0.61600202681075 0.08899967124632 0.03004102103044 32.065 > 65 90 S 0.61600202681075 0.08899967124632 0.53004102103044 32.065 > 65 91 S 0.38399797318925 0.08899967124632 0.21995897896956 32.065 > 67 92 S 0.38399797318925 0.08899967124632 0.71995897896956 32.065 > 67 93 S 0.38399797318925 0.91100032875368 0.46995897896956 32.065 > 69 94 S 0.38399797318925 0.91100032875368 0.96995897896956 32.065 > 69 95 S 0.61600202681075 0.91100032875368 0.28004102103044 32.065 > 71 96 S 0.61600202681075 0.91100032875368 0.78004102103044 32.065 > 71 97 In 0.17240762164440 0.25577901337768 0.37408614914561 114.818 > 97 98 In 0.17240762164440 0.25577901337768 0.87408614914561 114.818 > 97 99 In 0.82759237835560 0.74422098662232 0.12591385085439 114.818 > 99 100 In 0.82759237835560 0.74422098662232 0.62591385085439 114.818 > 99 101 In 0.17240762164440 0.74422098662232 0.12408614914561 114.818 > 101 102 In 0.17240762164440 0.74422098662232 0.62408614914561 114.818 > 101 103 In 0.82759237835560 0.25577901337768 0.37591385085439 114.818 > 103 104 In 0.82759237835560 0.25577901337768 0.87591385085439 114.818 > 103 105 In 0.67240762164440 0.75577901337768 0.37408614914561 114.818 > 97 106 In 0.67240762164440 0.75577901337768 0.87408614914561 114.818 > 97 107 In 0.32759237835560 0.24422098662232 0.12591385085439 114.818 > 99 108 In 0.32759237835560 0.24422098662232 0.62591385085439 114.818 > 99 109 In 0.67240762164440 0.24422098662232 0.12408614914561 114.818 > 101 110 In 0.67240762164440 0.24422098662232 0.62408614914561 114.818 > 101 111 In 0.32759237835560 0.75577901337768 0.37591385085439 114.818 > 103 112 In 0.32759237835560 0.75577901337768 0.87591385085439 114.818 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8242099 0.0000000 0.1218679 0.0000000 4.0509468 0.0000000 0.1219146 0.0000000 4.2981283 -------------------------- Born effective charges -------------------------- 1 Na 1.1120461 -0.0926955 -0.0011892 0.1407039 1.1585406 -0.1591361 0.0356924 0.0649215 1.0225537 2 Na 1.1120461 0.0926955 -0.0011892 -0.1407039 1.1585406 0.1591361 0.0356924 -0.0649215 1.0225537 3 Na 1.1120461 -0.0926955 -0.0011892 0.1407039 1.1585406 -0.1591361 0.0356924 0.0649215 1.0225537 4 Na 1.1120461 0.0926955 -0.0011892 -0.1407039 1.1585406 0.1591361 0.0356924 -0.0649215 1.0225537 5 Na 0.9578444 0.1656370 -0.0968435 0.0735560 1.0999767 0.1770210 -0.1284453 -0.0731248 0.9227045 6 Na 0.9578444 -0.1656370 -0.0968435 -0.0735560 1.0999767 -0.1770210 -0.1284453 0.0731248 0.9227045 7 Na 0.9578444 0.1656370 -0.0968435 0.0735560 1.0999767 0.1770210 -0.1284453 -0.0731248 0.9227045 8 Na 0.9578444 -0.1656370 -0.0968435 -0.0735560 1.0999767 -0.1770210 -0.1284453 0.0731248 0.9227045 9 Na 1.2953873 0.0000000 -0.0067407 0.0000000 0.8516730 0.0000000 0.0475947 0.0000000 1.3011167 10 Na 1.2953873 0.0000000 -0.0067407 0.0000000 0.8516730 0.0000000 0.0475947 0.0000000 1.3011167 11 Na 1.2389720 0.0000000 0.1499228 0.0000000 1.2993873 0.0000000 0.1762755 0.0000000 1.1848759 12 Na 1.2389720 0.0000000 0.1499228 0.0000000 1.2993873 0.0000000 0.1762755 0.0000000 1.1848759 13 S -2.0405382 -0.1533160 -0.0248065 -0.1362543 -1.2633108 -0.0798310 -0.0005827 -0.0049121 -2.2029963 14 S -2.0405382 0.1533160 -0.0248065 0.1362543 -1.2633108 0.0798310 -0.0005827 0.0049121 -2.2029963 15 S -2.0405382 0.1533160 -0.0248065 0.1362543 -1.2633108 0.0798310 -0.0005827 0.0049121 -2.2029963 16 S -2.0405382 -0.1533160 -0.0248065 -0.1362543 -1.2633108 -0.0798310 -0.0005827 -0.0049121 -2.2029963 17 S -1.5112510 0.1145147 -0.1835366 0.1135493 -2.1556794 0.3029223 -0.1884219 0.4689628 -1.9553589 18 S -1.5112510 -0.1145147 -0.1835366 -0.1135493 -2.1556794 -0.3029223 -0.1884219 -0.4689628 -1.9553589 19 S -1.5112510 0.1145147 -0.1835366 0.1135493 -2.1556794 0.3029223 -0.1884219 0.4689628 -1.9553589 20 S -1.5112510 -0.1145147 -0.1835366 -0.1135493 -2.1556794 -0.3029223 -0.1884219 -0.4689628 -1.9553589 21 S -1.4771231 -0.0721400 -0.0403716 -0.1230523 -2.2811765 -0.3394574 -0.0354497 -0.4882528 -1.9282834 22 S -1.4771231 0.0721400 -0.0403716 0.1230523 -2.2811765 0.3394574 -0.0354497 0.4882528 -1.9282834 23 S -1.4771231 -0.0721400 -0.0403716 -0.1230523 -2.2811765 -0.3394574 -0.0354497 -0.4882528 -1.9282834 24 S -1.4771231 0.0721400 -0.0403716 0.1230523 -2.2811765 0.3394574 -0.0354497 0.4882528 -1.9282834 25 In 1.6918422 -0.0872893 0.2751563 -0.1400273 2.3661193 -0.0178034 0.2052721 0.0326243 2.8983841 26 In 1.6918422 -0.0872893 0.2751563 -0.1400273 2.3661193 -0.0178034 0.2052721 0.0326243 2.8983841 27 In 1.6918422 0.0872893 0.2751563 0.1400273 2.3661193 0.0178034 0.2052721 -0.0326243 2.8983841 28 In 1.6918422 0.0872893 0.2751563 0.1400273 2.3661193 0.0178034 0.2052721 -0.0326243 2.8983841 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (zyz) -0.00000003 (zyz) -0.00000003 (zzy) 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 ... [ 5 5 8 ] 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: 0.47, Number of G-points: 303, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/63) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 63 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 1.246 ( 0.000 0.000 0.000) 0.000 1.399 ( 0.000 0.000 0.000) 0.000 1.679 ( 0.000 0.000 0.000) 0.000 1.732 ( 0.000 0.000 0.000) 0.000 1.798 ( 0.000 0.000 0.000) 0.000 1.839 ( 0.000 0.000 0.000) 0.000 1.856 ( 0.000 0.000 0.000) 0.000 2.131 ( 0.000 0.000 0.000) 0.000 2.193 ( 0.000 0.000 0.000) 0.000 2.249 ( 0.000 0.000 0.000) 0.000 2.299 ( 0.000 0.000 0.000) 0.000 2.559 ( 0.000 0.000 0.000) 0.000 2.589 ( 0.000 0.000 0.000) 0.000 2.600 ( 0.000 0.000 0.000) 0.000 2.728 ( 0.000 0.000 0.000) 0.000 2.766 ( 0.000 0.000 0.000) 0.000 2.836 ( 0.000 0.000 0.000) 0.000 2.869 ( 0.000 0.000 0.000) 0.000 3.016 ( 0.000 0.000 0.000) 0.000 3.076 ( 0.000 0.000 0.000) 0.000 3.210 ( 0.000 0.000 0.000) 0.000 3.275 ( 0.000 0.000 0.000) 0.000 3.330 ( 0.000 0.000 0.000) 0.000 3.377 ( 0.000 0.000 0.000) 0.000 3.389 ( 0.000 0.000 0.000) 0.000 3.541 ( 0.000 0.000 0.000) 0.000 3.583 ( 0.000 0.000 0.000) 0.000 3.723 ( 0.000 0.000 0.000) 0.000 3.817 ( 0.000 0.000 0.000) 0.000 3.971 ( 0.000 0.000 0.000) 0.000 3.980 ( 0.000 0.000 0.000) 0.000 4.070 ( 0.000 0.000 0.000) 0.000 4.087 ( 0.000 0.000 0.000) 0.000 4.518 ( 0.000 0.000 0.000) 0.000 4.523 ( 0.000 0.000 0.000) 0.000 4.563 ( 0.000 0.000 0.000) 0.000 4.615 ( 0.000 0.000 0.000) 0.000 4.822 ( 0.000 0.000 0.000) 0.000 4.827 ( 0.000 0.000 0.000) 0.000 4.924 ( 0.000 0.000 0.000) 0.000 4.980 ( 0.000 0.000 0.000) 0.000 4.994 ( 0.000 0.000 0.000) 0.000 5.152 ( 0.000 0.000 0.000) 0.000 5.364 ( 0.000 0.000 0.000) 0.000 5.440 ( 0.000 0.000 0.000) 0.000 5.546 ( 0.000 0.000 0.000) 0.000 5.808 ( 0.000 0.000 0.000) 0.000 5.835 ( 0.000 0.000 0.000) 0.000 5.867 ( 0.000 0.000 0.000) 0.000 5.970 ( 0.000 0.000 0.000) 0.000 6.018 ( 0.000 0.000 0.000) 0.000 6.102 ( 0.000 0.000 0.000) 0.000 6.113 ( 0.000 0.000 0.000) 0.000 6.181 ( 0.000 0.000 0.000) 0.000 6.431 ( 0.000 0.000 0.000) 0.000 6.574 ( 0.000 0.000 0.000) 0.000 6.604 ( 0.000 0.000 0.000) 0.000 6.672 ( 0.000 0.000 0.000) 0.000 6.679 ( 0.000 0.000 0.000) 0.000 6.740 ( 0.000 0.000 0.000) 0.000 6.920 ( 0.000 0.000 0.000) 0.000 7.006 ( 0.000 0.000 0.000) 0.000 7.043 ( 0.000 0.000 0.000) 0.000 7.064 ( 0.000 0.000 0.000) 0.000 7.266 ( 0.000 0.000 0.000) 0.000 7.423 ( 0.000 0.000 0.000) 0.000 7.543 ( 0.000 0.000 0.000) 0.000 7.727 ( 0.000 0.000 0.000) 0.000 7.847 ( 0.000 0.000 0.000) 0.000 8.320 ( 0.000 0.000 0.000) 0.000 8.572 ( 0.000 0.000 0.000) 0.000 8.918 ( 0.000 0.000 0.000) 0.000 9.007 ( 0.000 0.000 0.000) 0.000 9.294 ( 0.000 0.000 0.000) 0.000 9.299 ( 0.000 0.000 0.000) 0.000 9.353 ( 0.000 0.000 0.000) 0.000 9.449 ( 0.000 0.000 0.000) 0.000 9.541 ( 0.000 0.000 0.000) 0.000 9.727 ( 0.000 0.000 0.000) 0.000 9.881 ( 0.000 0.000 0.000) 0.000 10.102 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/63) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.366 ( 7.490 -16.314 3.949) 18.381 0.449 ( 9.357 -12.936 19.851) 25.474 0.814 ( 17.337 -33.617 6.502) 38.379 1.307 ( -2.197 8.477 -5.052) 10.110 1.399 ( 3.526 1.140 2.595) 4.524 1.652 ( -0.455 1.032 -7.276) 7.363 1.702 ( -1.418 4.018 -2.810) 5.104 1.761 ( 0.824 0.577 -4.395) 4.509 1.824 ( 1.146 2.646 0.993) 3.050 1.859 ( 1.509 0.150 -0.595) 1.629 2.079 ( -1.610 1.891 -4.732) 5.344 2.249 ( 3.619 2.563 12.420) 13.188 2.264 ( 0.983 5.944 3.350) 6.894 2.309 ( -3.545 -2.421 -2.296) 4.868 2.422 ( 0.010 8.894 0.742) 8.925 2.625 ( -1.301 -4.901 -1.720) 5.355 2.631 ( -6.870 -2.654 -8.388) 11.162 2.731 ( 0.115 1.069 -1.029) 1.488 2.839 ( 3.841 -5.842 2.237) 7.341 2.871 ( 2.144 -3.340 0.525) 4.004 2.993 ( -3.392 -1.129 2.970) 4.648 3.007 ( -2.367 0.122 3.334) 4.090 3.122 ( 1.790 4.934 0.410) 5.264 3.176 ( 1.689 4.103 1.924) 4.836 3.192 ( -0.981 -0.147 -0.549) 1.133 3.319 ( -2.804 -1.082 -2.990) 4.240 3.380 ( -2.031 -1.862 -1.701) 3.238 3.455 ( 1.302 5.053 2.830) 5.936 3.520 ( 6.283 0.247 2.644) 6.821 3.622 ( -0.377 -1.690 -2.642) 3.158 3.778 ( -1.926 -0.268 -2.684) 3.314 3.804 ( 1.317 0.419 1.311) 1.904 3.904 ( -4.127 3.215 0.626) 5.269 4.035 ( -2.739 -3.360 -2.232) 4.876 4.092 ( 3.708 1.619 -0.520) 4.079 4.182 ( 3.464 -2.509 3.026) 5.239 4.358 ( 1.070 9.253 -2.051) 9.538 4.500 ( -4.037 -0.010 6.136) 7.345 4.571 ( 3.328 1.679 -2.271) 4.365 4.670 ( -1.534 6.654 3.177) 7.532 4.772 ( -2.746 -1.325 -2.902) 4.209 4.814 ( -2.957 -1.135 0.933) 3.302 4.912 ( -2.097 -4.815 -5.342) 7.492 5.047 ( 3.501 -3.728 3.137) 6.000 5.113 ( 2.108 -6.832 1.755) 7.362 5.131 ( -5.141 -0.406 0.916) 5.238 5.313 ( -2.340 3.168 -6.099) 7.260 5.394 ( 3.845 0.050 -0.379) 3.864 5.720 ( 8.129 3.277 2.881) 9.226 5.790 ( -3.318 0.060 -0.801) 3.414 5.835 ( -2.419 2.432 0.531) 3.471 5.884 ( 2.655 5.391 3.656) 7.034 5.942 ( 2.438 -2.548 -1.207) 3.727 6.055 ( -3.674 -2.559 1.702) 4.790 6.106 ( -0.037 -1.700 -2.866) 3.333 6.176 ( 4.782 0.586 2.386) 5.376 6.326 ( -0.658 4.163 7.745) 8.817 6.419 ( 0.053 -0.019 -3.017) 3.018 6.566 ( -0.658 1.232 0.489) 1.480 6.595 ( 1.111 1.074 0.630) 1.669 6.692 ( -0.588 -1.861 3.200) 3.749 6.727 ( 2.132 -2.307 -0.466) 3.175 6.828 ( 6.289 4.083 0.365) 7.507 6.923 ( 3.367 1.259 -3.796) 5.228 6.986 ( -2.661 0.798 0.953) 2.937 7.050 ( 0.245 1.307 1.919) 2.335 7.260 ( -2.258 -0.471 -0.559) 2.373 7.342 ( -5.605 -4.267 -6.396) 9.515 7.464 ( 1.528 -3.034 -3.820) 5.112 7.543 ( -0.844 -0.975 -0.169) 1.301 7.856 ( -0.191 -1.189 1.921) 2.267 7.999 ( 0.106 9.606 22.002) 24.008 8.413 ( 16.729 7.126 -9.673) 20.596 8.559 ( -3.198 -1.024 -0.029) 3.358 8.924 ( 0.298 -0.178 0.846) 0.915 8.996 ( -0.563 0.584 -0.701) 1.072 9.295 ( 0.433 0.080 -0.612) 0.754 9.355 ( -0.283 0.154 1.289) 1.329 9.416 ( 0.190 2.367 1.170) 2.647 9.424 ( -1.870 0.977 -1.009) 2.338 9.744 ( -0.410 -2.796 -1.142) 3.048 9.887 ( 2.311 2.408 2.499) 4.170 10.110 ( 2.621 1.573 1.271) 3.311 10.252 ( -27.797 -23.684 -6.045) 37.015 ======================= Grid point 2 (3/63) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 7.585 -14.507 4.575) 16.998 0.861 ( 7.937 -9.020 16.453) 20.373 1.063 ( -7.445 9.065 -5.567) 12.984 1.284 ( -3.378 6.973 -9.286) 12.094 1.433 ( 5.379 -15.147 1.943) 16.191 1.632 ( 1.672 1.889 2.676) 3.678 1.691 ( 1.674 -0.370 -8.991) 9.153 1.733 ( 3.131 -5.377 5.337) 8.198 1.837 ( 2.011 -0.713 -4.617) 5.086 1.898 ( 0.450 -0.554 2.234) 2.345 2.009 ( -0.071 1.716 -1.182) 2.085 2.164 ( -1.943 2.904 -0.067) 3.495 2.239 ( -1.889 3.919 -1.351) 4.555 2.277 ( 1.842 5.183 4.926) 7.384 2.416 ( -2.530 -3.361 2.337) 4.812 2.568 ( -0.490 -0.162 -0.759) 0.918 2.652 ( -3.162 6.494 -0.815) 7.269 2.657 ( -3.577 -4.864 -3.705) 7.084 2.821 ( 0.801 4.892 -0.582) 4.992 2.939 ( -0.460 -1.997 -2.056) 2.903 2.956 ( -1.121 0.839 1.589) 2.117 3.033 ( 0.526 0.012 -0.153) 0.548 3.076 ( 2.108 1.855 1.530) 3.198 3.179 ( -1.024 0.460 0.730) 1.339 3.190 ( -1.137 -2.136 2.206) 3.274 3.324 ( 2.106 0.014 0.949) 2.310 3.394 ( -0.835 -1.713 0.289) 1.927 3.439 ( 2.398 -0.893 -2.212) 3.383 3.587 ( -3.861 -0.435 -1.106) 4.040 3.623 ( 3.661 0.301 3.340) 4.965 3.702 ( -1.591 0.592 -2.745) 3.227 3.787 ( -2.821 4.206 3.467) 6.137 3.910 ( 3.635 -1.359 -1.216) 4.067 4.037 ( -0.312 -2.243 -0.526) 2.325 4.103 ( 2.080 -0.931 -1.469) 2.712 4.195 ( 1.939 7.310 -2.302) 7.906 4.334 ( 3.185 -4.793 -2.206) 6.163 4.512 ( -6.584 2.251 8.030) 10.625 4.550 ( -2.780 -0.400 1.476) 3.173 4.581 ( 2.162 3.911 2.370) 5.058 4.705 ( 0.841 2.156 -4.555) 5.109 4.779 ( -3.156 -0.039 0.775) 3.250 4.947 ( -1.381 -3.515 -2.244) 4.393 5.053 ( -2.085 0.344 -2.401) 3.198 5.161 ( 1.756 -2.440 2.574) 3.957 5.215 ( 0.232 -2.479 0.643) 2.572 5.271 ( 0.487 -0.077 -1.077) 1.184 5.469 ( 3.839 -3.172 -0.689) 5.028 5.677 ( -3.796 4.869 0.395) 6.186 5.758 ( 1.660 0.892 0.309) 1.910 5.813 ( 0.833 0.394 -0.973) 1.340 5.898 ( 1.632 0.557 0.714) 1.867 5.960 ( 0.402 -0.757 -1.472) 1.703 6.033 ( -3.472 -0.543 0.106) 3.516 6.142 ( 1.417 -1.302 -0.062) 1.925 6.233 ( 1.476 -0.391 0.673) 1.669 6.307 ( -0.225 1.408 2.273) 2.683 6.414 ( 0.528 -0.682 -1.224) 1.497 6.535 ( -1.097 1.113 0.597) 1.673 6.606 ( 0.856 0.302 0.422) 1.001 6.745 ( 0.511 -2.010 2.724) 3.424 6.779 ( 1.190 -1.616 -0.353) 2.037 6.820 ( 0.378 2.063 -1.495) 2.575 6.906 ( 0.080 1.732 0.150) 1.740 6.958 ( 0.249 0.356 -1.148) 1.228 7.080 ( 2.159 -0.523 2.653) 3.460 7.205 ( -3.790 0.503 -1.724) 4.194 7.317 ( -0.784 -0.496 -0.827) 1.242 7.488 ( 0.860 -0.463 -1.063) 1.444 7.549 ( -0.311 -0.685 -0.175) 0.772 7.881 ( -0.416 -1.111 0.663) 1.359 8.002 ( 0.338 2.479 5.441) 5.988 8.465 ( 9.422 2.767 -3.169) 10.318 8.522 ( -6.072 -1.660 0.780) 6.343 8.942 ( 0.649 -0.477 1.336) 1.560 8.970 ( -0.825 0.748 -1.246) 1.670 9.297 ( 0.359 -0.057 -0.384) 0.529 9.354 ( -0.445 0.355 0.948) 1.106 9.384 ( -0.786 0.625 -0.154) 1.016 9.393 ( -0.090 0.747 -0.640) 0.988 9.771 ( -0.555 -2.255 -1.108) 2.573 9.893 ( 1.636 2.228 1.946) 3.380 10.142 ( 5.951 3.128 2.163) 7.062 10.203 ( -12.291 -8.329 -3.435) 15.239 ======================= Grid point 6 (4/63) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 18.812 -0.000 7.957) 20.425 0.637 ( 19.449 -0.000 7.969) 21.018 0.881 ( 20.344 -0.000 25.434) 32.569 1.368 ( -1.788 0.000 0.835) 1.974 1.385 ( 1.653 -0.000 -5.321) 5.572 1.497 ( -5.985 0.000 -13.270) 14.557 1.709 ( -0.173 0.000 -2.625) 2.631 1.771 ( 0.351 -0.000 -0.895) 0.961 1.834 ( -2.487 0.000 -0.027) 2.487 1.862 ( 0.272 -0.000 -2.703) 2.717 2.070 ( 0.714 -0.000 -2.319) 2.426 2.184 ( -5.190 0.000 -4.167) 6.656 2.268 ( -13.975 0.000 -8.843) 16.538 2.282 ( -7.088 0.000 -2.809) 7.624 2.389 ( 2.249 -0.000 2.684) 3.502 2.590 ( -1.041 0.000 3.270) 3.432 2.684 ( 2.907 -0.000 -4.770) 5.586 2.759 ( 1.567 -0.000 3.999) 4.295 2.891 ( 7.529 -0.000 0.400) 7.539 2.921 ( 7.092 -0.000 5.921) 9.239 2.968 ( -2.700 0.000 5.153) 5.817 3.045 ( -1.569 0.000 5.059) 5.297 3.134 ( -3.799 0.000 -0.183) 3.803 3.171 ( -1.335 0.000 0.521) 1.433 3.190 ( -0.092 0.000 0.473) 0.481 3.210 ( -0.250 0.000 0.957) 0.990 3.497 ( 3.993 -0.000 3.062) 5.032 3.510 ( -7.817 0.000 -0.956) 7.875 3.566 ( 5.505 -0.000 -4.629) 7.193 3.632 ( 10.126 -0.000 5.063) 11.322 3.703 ( -4.474 0.000 -3.678) 5.791 3.853 ( -7.750 0.000 0.803) 7.791 3.856 ( 4.683 -0.000 -4.347) 6.390 3.932 ( -2.664 0.000 1.331) 2.977 4.161 ( 0.876 -0.000 3.121) 3.242 4.196 ( 4.343 -0.000 -6.324) 7.672 4.431 ( -7.928 0.000 9.846) 12.641 4.486 ( -0.276 0.000 4.314) 4.323 4.654 ( 0.222 -0.000 -6.091) 6.095 4.683 ( 5.352 -0.000 -0.799) 5.412 4.700 ( 4.886 -0.000 -2.099) 5.318 4.772 ( -6.009 0.000 3.755) 7.085 4.882 ( -3.998 0.000 -0.762) 4.070 4.997 ( -11.341 0.000 -2.730) 11.665 5.103 ( 4.242 -0.000 1.841) 4.624 5.132 ( 8.261 -0.000 -0.404) 8.271 5.287 ( 0.342 -0.000 -3.233) 3.251 5.404 ( 1.121 -0.000 -3.265) 3.452 5.734 ( -3.505 0.000 -1.576) 3.843 5.765 ( -1.118 0.000 -0.263) 1.148 5.855 ( -6.432 0.000 -3.731) 7.436 5.868 ( -3.333 0.000 2.515) 4.176 5.995 ( 6.223 -0.000 -5.670) 8.419 6.026 ( 3.194 -0.000 5.596) 6.443 6.039 ( 1.086 -0.000 -4.321) 4.455 6.263 ( -0.744 0.000 6.294) 6.338 6.331 ( -3.380 0.000 -4.172) 5.370 6.444 ( -0.780 0.000 3.429) 3.517 6.575 ( -0.336 0.000 0.769) 0.839 6.639 ( 1.582 -0.000 3.164) 3.538 6.698 ( 0.908 -0.000 0.984) 1.339 6.750 ( 2.445 -0.000 0.281) 2.461 6.901 ( -1.392 0.000 -0.727) 1.571 6.969 ( 0.965 -0.000 -3.065) 3.213 6.995 ( -1.742 0.000 0.745) 1.895 7.049 ( 3.504 -0.000 -2.242) 4.160 7.172 ( 0.176 -0.000 -1.931) 1.939 7.300 ( 0.941 -0.000 2.221) 2.412 7.471 ( 3.923 -0.000 -1.848) 4.336 7.514 ( -2.908 0.000 1.507) 3.275 7.807 ( -3.131 0.000 -1.388) 3.425 8.110 ( -8.243 0.000 14.135) 16.363 8.507 ( -4.025 0.000 0.470) 4.053 8.673 ( 11.339 -0.000 -16.403) 19.940 8.935 ( 0.438 -0.000 1.449) 1.514 8.984 ( -1.017 0.000 -1.254) 1.614 9.305 ( 1.216 -0.000 -1.538) 1.961 9.368 ( -0.863 0.000 3.589) 3.691 9.376 ( -3.413 0.000 -1.482) 3.721 9.504 ( -0.232 0.000 -3.852) 3.859 9.657 ( -8.809 0.000 12.981) 15.688 9.731 ( -0.804 0.000 0.522) 0.958 9.984 ( 4.416 -0.000 4.680) 6.434 10.182 ( 4.183 -0.000 2.391) 4.818 ======================= Grid point 7 (5/63) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 16.504 0.975 6.533) 17.776 0.997 ( 11.991 -6.040 12.056) 18.045 1.174 ( -0.131 13.878 -3.217) 14.247 1.287 ( -4.945 7.269 -7.925) 11.836 1.379 ( 12.436 -10.680 14.590) 21.945 1.564 ( 3.032 -11.090 -5.443) 12.721 1.700 ( -2.059 3.276 1.323) 4.089 1.735 ( -0.702 -5.777 -4.787) 7.535 1.773 ( 1.119 3.380 3.812) 5.216 1.897 ( -0.456 -2.341 -1.920) 3.062 2.049 ( -0.671 1.283 -0.977) 1.747 2.056 ( -9.737 -1.627 -2.226) 10.119 2.119 ( -5.394 -3.442 -4.732) 7.958 2.201 ( -3.948 -0.722 -10.147) 10.912 2.402 ( -5.713 -7.111 -4.348) 10.104 2.551 ( -5.884 2.626 4.089) 7.631 2.602 ( 2.288 2.763 -3.750) 5.190 2.810 ( 1.767 2.569 5.965) 6.731 2.908 ( 3.434 10.854 1.927) 11.546 2.982 ( 0.077 2.429 4.271) 4.914 3.001 ( 1.333 0.960 3.613) 3.969 3.052 ( 1.686 -0.733 -2.605) 3.188 3.109 ( 2.943 1.205 0.941) 3.317 3.174 ( 3.834 0.527 1.987) 4.351 3.201 ( 0.767 0.507 2.332) 2.507 3.302 ( -0.314 -3.223 3.401) 4.696 3.444 ( -4.395 -2.226 0.837) 4.997 3.475 ( 0.377 1.487 -4.000) 4.284 3.556 ( 4.068 5.641 4.972) 8.550 3.619 ( -4.080 -1.412 -7.833) 8.944 3.681 ( -3.498 2.012 1.631) 4.353 3.810 ( -0.675 2.851 4.650) 5.496 3.901 ( -1.214 -3.641 -2.965) 4.850 4.025 ( 7.299 -5.281 5.693) 10.657 4.126 ( -0.454 4.819 -7.578) 8.992 4.246 ( 2.389 -5.769 -0.928) 6.313 4.373 ( -1.622 9.153 2.573) 9.645 4.476 ( -1.977 -0.728 8.985) 9.229 4.575 ( 0.891 3.834 -3.924) 5.558 4.671 ( -3.834 7.930 -4.975) 10.116 4.710 ( -1.259 0.910 -1.798) 2.376 4.764 ( 2.471 0.038 2.861) 3.780 4.879 ( 2.805 -7.136 1.627) 7.839 4.940 ( -5.270 -7.248 -2.003) 9.182 5.188 ( 4.388 -1.503 0.685) 4.689 5.219 ( 4.897 -0.394 -2.853) 5.681 5.298 ( 2.443 1.331 2.110) 3.491 5.431 ( 2.123 -4.126 -2.368) 5.210 5.627 ( -11.233 0.015 -0.571) 11.248 5.722 ( -6.436 -0.275 -1.111) 6.537 5.736 ( -3.231 -0.455 -2.199) 3.934 5.896 ( -2.647 -3.356 1.811) 4.642 6.016 ( 3.591 1.584 -2.458) 4.631 6.046 ( 7.659 1.935 -5.824) 9.815 6.113 ( 1.923 -1.191 2.519) 3.385 6.270 ( -2.361 -0.614 -3.698) 4.430 6.276 ( -1.369 0.677 4.123) 4.397 6.454 ( -0.649 -1.296 1.309) 1.953 6.552 ( -0.656 2.562 1.457) 3.020 6.645 ( 1.392 3.754 1.074) 4.146 6.734 ( 1.144 -1.921 0.208) 2.246 6.764 ( -0.924 -0.231 0.088) 0.957 6.867 ( 0.152 1.132 0.376) 1.202 6.945 ( -1.059 3.570 2.119) 4.284 6.960 ( 0.914 0.713 -2.005) 2.316 7.129 ( 2.755 0.800 0.857) 2.994 7.149 ( 0.988 -1.688 -3.166) 3.721 7.325 ( 0.763 0.120 2.232) 2.362 7.484 ( -1.554 -0.304 1.295) 2.046 7.525 ( 1.120 -1.803 -0.795) 2.266 7.768 ( -4.920 -3.529 -3.419) 6.953 8.079 ( -3.560 2.503 6.507) 7.828 8.461 ( -3.652 0.674 1.235) 3.914 8.653 ( 8.743 6.278 -5.261) 11.980 8.953 ( 0.538 -0.284 1.426) 1.550 8.958 ( -1.057 0.387 -1.323) 1.737 9.301 ( 0.015 0.594 -0.248) 0.644 9.337 ( -1.334 -0.911 -1.839) 2.447 9.374 ( -1.046 0.641 2.875) 3.126 9.428 ( 0.140 3.097 -0.562) 3.150 9.687 ( -1.927 -4.293 -2.171) 5.182 9.823 ( -6.712 -10.882 1.560) 12.880 10.042 ( 2.892 2.859 3.698) 5.497 10.269 ( 5.811 -1.472 3.065) 6.733 ======================= Grid point 8 (6/63) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -2.083 13.956 -6.652) 15.600 0.964 ( 1.120 16.598 -0.799) 16.655 1.137 ( 8.099 -1.903 5.065) 9.741 1.279 ( 3.646 -4.679 0.598) 5.962 1.568 ( 1.078 4.952 3.767) 6.314 1.597 ( 0.967 -1.578 1.500) 2.382 1.688 ( -2.930 -1.297 4.133) 5.230 1.773 ( -1.392 3.824 -2.235) 4.643 1.816 ( 1.114 -0.034 3.271) 3.456 1.902 ( -4.929 6.869 1.800) 8.644 2.011 ( -3.617 -6.567 -6.301) 9.794 2.050 ( 0.772 0.881 -1.479) 1.887 2.061 ( -2.788 -8.313 -7.212) 11.353 2.098 ( -4.564 -8.917 0.498) 10.029 2.404 ( -1.962 -3.807 -7.349) 8.506 2.553 ( 0.312 -9.913 2.224) 10.165 2.725 ( 7.069 -7.319 1.214) 10.248 2.739 ( 0.758 6.717 3.433) 7.582 2.876 ( 5.614 6.940 3.450) 9.570 2.918 ( -4.812 0.723 -0.059) 4.867 3.006 ( 1.707 2.996 -1.890) 3.933 3.070 ( 1.473 1.678 6.333) 6.715 3.080 ( -0.733 6.111 2.013) 6.475 3.201 ( 0.385 1.325 1.312) 1.904 3.245 ( 3.161 2.949 -2.421) 4.955 3.299 ( 2.690 1.060 -1.830) 3.421 3.406 ( -3.606 0.467 -1.503) 3.934 3.514 ( -4.398 -2.232 -0.692) 4.980 3.529 ( 0.388 -0.010 1.146) 1.210 3.577 ( 0.496 -2.062 -2.085) 2.974 3.675 ( 0.043 -4.991 1.568) 5.231 3.790 ( 1.583 4.503 1.824) 5.110 3.904 ( -1.748 0.261 1.124) 2.094 4.007 ( -2.548 0.528 -3.626) 4.463 4.156 ( -1.246 4.417 3.986) 6.079 4.234 ( 3.838 2.899 6.375) 7.986 4.316 ( -1.285 1.317 -2.598) 3.184 4.481 ( -3.744 0.848 -2.778) 4.738 4.504 ( 0.042 1.595 -5.231) 5.469 4.611 ( 5.045 -2.276 -1.282) 5.681 4.687 ( -0.167 -0.905 -0.001) 0.920 4.820 ( 3.467 -0.665 1.490) 3.832 4.996 ( -0.953 -8.398 2.043) 8.695 5.027 ( 4.874 -1.518 1.283) 5.264 5.193 ( 2.067 2.370 -3.722) 4.872 5.261 ( 0.932 2.456 0.321) 2.646 5.310 ( 1.437 2.529 3.679) 4.690 5.427 ( -7.022 1.977 -1.174) 7.389 5.586 ( -1.459 -7.933 1.000) 8.128 5.661 ( -5.892 -2.893 -5.587) 8.620 5.723 ( -1.046 -3.971 1.087) 4.248 5.907 ( -0.904 0.399 2.220) 2.430 5.997 ( -2.464 -0.101 -4.567) 5.190 6.067 ( 6.576 3.610 -1.793) 7.713 6.147 ( 0.342 0.937 3.317) 3.464 6.242 ( -0.955 -1.554 -3.569) 4.008 6.272 ( -0.199 1.029 1.839) 2.116 6.485 ( -0.296 -2.969 -0.021) 2.983 6.516 ( 1.312 4.405 2.340) 5.158 6.592 ( -1.750 2.352 -1.209) 3.171 6.737 ( -1.704 0.148 -0.100) 1.713 6.769 ( 0.494 -1.001 -1.315) 1.725 6.872 ( -0.140 5.264 2.602) 5.874 6.901 ( 1.543 -0.589 0.371) 1.693 6.951 ( -0.175 -0.151 0.016) 0.231 7.057 ( -2.196 2.546 -2.371) 4.114 7.239 ( 4.122 -1.511 -0.507) 4.419 7.358 ( 2.323 -0.457 2.267) 3.277 7.490 ( -0.636 -1.076 2.725) 2.998 7.549 ( 0.012 -0.793 0.055) 0.795 7.733 ( -5.681 -4.710 -6.294) 9.699 8.033 ( -1.017 3.764 1.929) 4.350 8.408 ( -2.907 2.012 1.374) 3.793 8.642 ( 4.710 4.581 -0.943) 6.637 8.934 ( -0.551 0.423 -0.826) 1.080 8.974 ( 0.400 -0.650 0.836) 1.132 9.293 ( -0.577 -0.224 0.263) 0.672 9.340 ( 0.342 -1.034 -1.141) 1.578 9.366 ( -0.592 -0.175 0.274) 0.675 9.409 ( 0.258 0.354 0.898) 0.999 9.733 ( 0.048 -5.299 -2.263) 5.762 9.853 ( -4.010 -2.012 0.216) 4.492 10.038 ( -0.360 0.616 0.990) 1.220 10.408 ( 7.189 -2.760 3.283) 8.372 ======================= Grid point 9 (7/63) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( -0.000 18.011 -0.000) 18.011 0.675 ( -0.000 21.386 -0.000) 21.386 1.230 ( -0.000 28.929 -0.000) 28.929 1.271 ( 0.000 -0.615 0.000) 0.615 1.350 ( -0.000 4.552 -0.000) 4.552 1.576 ( 0.000 -3.365 0.000) 3.365 1.711 ( 0.000 -0.325 0.000) 0.325 1.722 ( 0.000 -4.582 0.000) 4.582 1.811 ( -0.000 0.601 -0.000) 0.601 1.863 ( -0.000 0.121 -0.000) 0.121 2.085 ( 0.000 -6.631 0.000) 6.631 2.101 ( 0.000 -4.842 0.000) 4.842 2.141 ( 0.000 -6.679 0.000) 6.679 2.227 ( 0.000 -11.532 0.000) 11.532 2.392 ( -0.000 2.178 -0.000) 2.178 2.676 ( -0.000 1.351 -0.000) 1.351 2.800 ( 0.000 -9.175 0.000) 9.175 2.811 ( -0.000 4.028 -0.000) 4.028 2.849 ( -0.000 4.396 -0.000) 4.396 2.851 ( -0.000 1.165 -0.000) 1.165 2.984 ( -0.000 0.967 -0.000) 0.967 2.991 ( -0.000 0.650 -0.000) 0.650 3.103 ( -0.000 2.355 -0.000) 2.355 3.153 ( -0.000 1.214 -0.000) 1.214 3.243 ( -0.000 5.656 -0.000) 5.656 3.272 ( 0.000 -4.153 0.000) 4.153 3.404 ( -0.000 0.977 -0.000) 0.977 3.419 ( 0.000 -1.723 0.000) 1.723 3.513 ( -0.000 3.954 -0.000) 3.954 3.682 ( -0.000 6.619 -0.000) 6.619 3.713 ( 0.000 -8.207 0.000) 8.207 3.815 ( 0.000 -10.388 0.000) 10.388 3.861 ( -0.000 4.208 -0.000) 4.208 4.025 ( 0.000 -3.236 0.000) 3.236 4.113 ( -0.000 0.533 -0.000) 0.533 4.204 ( -0.000 7.555 -0.000) 7.555 4.294 ( -0.000 1.371 -0.000) 1.371 4.393 ( 0.000 -5.345 0.000) 5.345 4.566 ( 0.000 -5.683 0.000) 5.683 4.620 ( -0.000 3.329 -0.000) 3.329 4.751 ( 0.000 -4.857 0.000) 4.857 4.867 ( 0.000 -0.346 0.000) 0.346 5.066 ( -0.000 3.598 -0.000) 3.598 5.068 ( -0.000 2.805 -0.000) 2.805 5.161 ( -0.000 1.020 -0.000) 1.020 5.201 ( -0.000 4.906 -0.000) 4.906 5.333 ( 0.000 -0.387 0.000) 0.387 5.340 ( 0.000 -2.224 0.000) 2.224 5.568 ( -0.000 1.380 -0.000) 1.380 5.741 ( 0.000 -9.092 0.000) 9.092 5.787 ( 0.000 -3.473 0.000) 3.473 5.890 ( -0.000 3.811 -0.000) 3.811 5.931 ( -0.000 1.016 -0.000) 1.016 6.057 ( -0.000 1.905 -0.000) 1.905 6.156 ( -0.000 1.474 -0.000) 1.474 6.222 ( -0.000 1.621 -0.000) 1.621 6.270 ( 0.000 -0.080 0.000) 0.080 6.462 ( -0.000 4.558 -0.000) 4.558 6.530 ( 0.000 -2.983 0.000) 2.983 6.564 ( 0.000 -1.458 0.000) 1.458 6.723 ( -0.000 0.779 -0.000) 0.779 6.766 ( -0.000 0.609 -0.000) 0.609 6.781 ( -0.000 5.926 -0.000) 5.926 6.915 ( -0.000 0.744 -0.000) 0.744 6.989 ( 0.000 -3.702 0.000) 3.702 7.006 ( -0.000 0.634 -0.000) 0.634 7.271 ( 0.000 -0.192 0.000) 0.192 7.402 ( 0.000 -1.045 0.000) 1.045 7.546 ( -0.000 0.045 -0.000) 0.045 7.557 ( 0.000 -2.586 0.000) 2.586 7.694 ( 0.000 -2.127 0.000) 2.127 7.967 ( -0.000 4.810 -0.000) 4.810 8.357 ( -0.000 2.301 -0.000) 2.301 8.612 ( -0.000 3.034 -0.000) 3.034 8.923 ( -0.000 0.292 -0.000) 0.292 8.991 ( 0.000 -0.844 0.000) 0.844 9.294 ( 0.000 -0.124 0.000) 0.124 9.349 ( 0.000 -0.407 0.000) 0.407 9.380 ( 0.000 -1.847 0.000) 1.847 9.423 ( 0.000 -1.135 0.000) 1.135 9.805 ( -0.000 3.765 -0.000) 3.765 9.807 ( 0.000 -4.739 0.000) 4.739 10.052 ( 0.000 -2.592 0.000) 2.592 10.538 ( 0.000 -3.841 0.000) 3.841 ======================= Grid point 12 (8/63) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 7.468 -0.000 1.454) 7.608 1.112 ( 11.711 -0.000 7.102) 13.696 1.232 ( -1.340 0.000 -5.457) 5.619 1.358 ( 0.607 -0.000 2.060) 2.148 1.389 ( -0.579 0.000 -4.537) 4.574 1.586 ( 8.807 -0.000 9.951) 13.289 1.624 ( -4.530 0.000 -2.767) 5.309 1.741 ( 1.146 -0.000 6.873) 6.968 1.806 ( -0.431 0.000 -2.458) 2.495 1.910 ( -3.954 0.000 -5.412) 6.702 1.939 ( 5.192 -0.000 10.821) 12.003 1.985 ( -5.195 0.000 -1.091) 5.308 2.055 ( -2.307 0.000 -4.352) 4.926 2.118 ( 5.177 -0.000 -10.395) 11.613 2.194 ( -7.704 0.000 -5.110) 9.245 2.446 ( -15.518 0.000 1.255) 15.568 2.634 ( 8.066 -0.000 -5.657) 9.852 2.893 ( 1.023 -0.000 3.078) 3.243 2.917 ( -10.741 0.000 -2.365) 10.998 3.055 ( 4.616 -0.000 1.305) 4.797 3.059 ( 2.917 -0.000 4.349) 5.236 3.136 ( 5.495 -0.000 4.733) 7.253 3.195 ( -4.135 0.000 3.414) 5.362 3.238 ( 7.775 -0.000 3.856) 8.679 3.243 ( 3.752 -0.000 -0.911) 3.861 3.340 ( 5.162 -0.000 2.883) 5.913 3.343 ( -2.539 0.000 -0.978) 2.721 3.469 ( -6.281 0.000 -9.176) 11.120 3.491 ( -3.956 0.000 -1.254) 4.150 3.611 ( -7.193 0.000 1.346) 7.318 3.636 ( 0.589 -0.000 1.548) 1.656 3.785 ( -3.707 0.000 -2.172) 4.296 3.946 ( 2.207 -0.000 4.786) 5.270 4.117 ( 10.305 -0.000 5.743) 11.797 4.166 ( 3.557 -0.000 -2.163) 4.163 4.244 ( 4.267 -0.000 -1.850) 4.650 4.385 ( -2.978 0.000 5.245) 6.031 4.547 ( -3.048 0.000 -0.054) 3.048 4.567 ( -0.543 0.000 -8.463) 8.480 4.633 ( -8.077 0.000 -1.296) 8.180 4.682 ( -4.507 0.000 1.473) 4.742 4.720 ( -3.157 0.000 -2.001) 3.738 4.912 ( 7.916 -0.000 1.658) 8.088 4.916 ( 10.002 -0.000 3.862) 10.722 5.216 ( 2.172 -0.000 1.806) 2.824 5.242 ( 2.056 -0.000 -4.244) 4.716 5.393 ( 1.021 -0.000 -2.341) 2.554 5.404 ( 5.744 -0.000 3.235) 6.592 5.465 ( -11.044 0.000 -0.941) 11.084 5.582 ( -8.299 0.000 -4.667) 9.521 5.687 ( -3.413 0.000 -0.842) 3.515 5.877 ( -0.114 0.000 2.358) 2.361 5.999 ( -0.533 0.000 -2.464) 2.521 6.151 ( 1.983 -0.000 1.429) 2.444 6.166 ( 8.446 -0.000 -3.524) 9.151 6.217 ( -1.550 0.000 -2.405) 2.861 6.276 ( -2.346 0.000 2.925) 3.750 6.426 ( -1.645 0.000 0.691) 1.784 6.545 ( -2.401 0.000 0.173) 2.407 6.710 ( 0.619 -0.000 1.293) 1.433 6.734 ( 0.372 -0.000 0.370) 0.525 6.753 ( -0.384 0.000 -0.541) 0.663 6.863 ( 0.101 -0.000 -0.462) 0.473 6.961 ( -0.378 0.000 1.481) 1.529 6.987 ( -0.183 0.000 0.339) 0.385 7.139 ( -0.852 0.000 -0.997) 1.311 7.195 ( 8.149 -0.000 -2.242) 8.452 7.347 ( -0.534 0.000 3.096) 3.142 7.450 ( -3.400 0.000 1.871) 3.880 7.531 ( 1.803 -0.000 -0.942) 2.034 7.656 ( -4.651 0.000 -2.791) 5.424 8.089 ( -2.127 0.000 2.986) 3.666 8.447 ( -1.405 0.000 1.088) 1.777 8.744 ( 3.828 -0.000 -3.555) 5.224 8.940 ( -0.775 0.000 -0.929) 1.210 8.965 ( 0.376 -0.000 0.877) 0.954 9.290 ( -1.637 0.000 -0.667) 1.767 9.315 ( 0.691 -0.000 -0.796) 1.054 9.398 ( -0.865 0.000 4.080) 4.171 9.450 ( 0.312 -0.000 -4.048) 4.060 9.609 ( -2.956 0.000 3.148) 4.318 9.704 ( -0.705 0.000 -0.573) 0.908 10.143 ( 2.787 -0.000 2.631) 3.833 10.308 ( 2.476 -0.000 1.508) 2.899 ======================= Grid point 13 (9/63) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -0.000 12.361 -0.000) 12.361 1.159 ( -0.000 6.165 -0.000) 6.165 1.237 ( -0.000 5.489 -0.000) 5.489 1.246 ( 0.000 -1.327 0.000) 1.327 1.521 ( 0.000 -7.999 0.000) 7.999 1.650 ( 0.000 -9.674 0.000) 9.674 1.674 ( 0.000 -0.825 0.000) 0.825 1.736 ( -0.000 5.208 -0.000) 5.208 1.828 ( 0.000 -1.450 0.000) 1.450 1.886 ( 0.000 -1.553 0.000) 1.553 1.936 ( -0.000 4.567 -0.000) 4.567 1.982 ( 0.000 -4.851 0.000) 4.851 1.994 ( 0.000 -2.791 0.000) 2.791 2.154 ( -0.000 14.317 -0.000) 14.317 2.237 ( 0.000 -9.982 0.000) 9.982 2.348 ( 0.000 -14.102 0.000) 14.102 2.744 ( 0.000 -3.132 0.000) 3.132 2.797 ( 0.000 -1.299 0.000) 1.299 2.857 ( -0.000 5.840 -0.000) 5.840 3.030 ( -0.000 5.772 -0.000) 5.772 3.086 ( -0.000 4.683 -0.000) 4.683 3.138 ( -0.000 0.784 -0.000) 0.784 3.193 ( -0.000 1.871 -0.000) 1.871 3.269 ( -0.000 5.841 -0.000) 5.841 3.282 ( -0.000 5.426 -0.000) 5.426 3.331 ( 0.000 -2.013 0.000) 2.013 3.402 ( 0.000 -6.624 0.000) 6.624 3.402 ( 0.000 -1.885 0.000) 1.885 3.427 ( -0.000 0.794 -0.000) 0.794 3.579 ( 0.000 -1.514 0.000) 1.514 3.653 ( 0.000 -0.461 0.000) 0.461 3.793 ( 0.000 -4.081 0.000) 4.081 3.947 ( -0.000 1.786 -0.000) 1.786 4.067 ( -0.000 11.774 -0.000) 11.774 4.242 ( -0.000 4.359 -0.000) 4.359 4.270 ( 0.000 -1.856 0.000) 1.856 4.384 ( -0.000 2.820 -0.000) 2.820 4.437 ( 0.000 -0.228 0.000) 0.228 4.510 ( -0.000 1.541 -0.000) 1.541 4.629 ( -0.000 3.488 -0.000) 3.488 4.677 ( 0.000 -0.130 0.000) 0.130 4.737 ( 0.000 -12.396 0.000) 12.396 4.960 ( -0.000 3.130 -0.000) 3.130 5.031 ( 0.000 -4.489 0.000) 4.489 5.218 ( -0.000 1.905 -0.000) 1.905 5.284 ( 0.000 -1.751 0.000) 1.751 5.374 ( -0.000 2.250 -0.000) 2.250 5.387 ( 0.000 -1.268 0.000) 1.268 5.475 ( 0.000 -3.491 0.000) 3.491 5.543 ( 0.000 -4.275 0.000) 4.275 5.668 ( 0.000 -1.891 0.000) 1.891 5.898 ( 0.000 -1.531 0.000) 1.531 5.979 ( -0.000 1.140 -0.000) 1.140 6.160 ( -0.000 0.753 -0.000) 0.753 6.175 ( -0.000 3.335 -0.000) 3.335 6.213 ( 0.000 -0.328 0.000) 0.328 6.274 ( 0.000 -0.613 0.000) 0.613 6.435 ( 0.000 -2.339 0.000) 2.339 6.532 ( 0.000 -0.696 0.000) 0.696 6.682 ( -0.000 6.861 -0.000) 6.861 6.721 ( 0.000 -0.334 0.000) 0.334 6.753 ( 0.000 -0.936 0.000) 0.936 6.885 ( 0.000 -2.347 0.000) 2.347 6.946 ( -0.000 3.099 -0.000) 3.099 6.973 ( -0.000 1.420 -0.000) 1.420 7.088 ( -0.000 4.455 -0.000) 4.455 7.255 ( 0.000 -0.608 0.000) 0.608 7.366 ( 0.000 -1.469 0.000) 1.469 7.456 ( 0.000 -3.041 0.000) 3.041 7.541 ( 0.000 -0.232 0.000) 0.232 7.626 ( 0.000 -1.737 0.000) 1.737 8.072 ( -0.000 1.722 -0.000) 1.722 8.428 ( -0.000 1.751 -0.000) 1.751 8.730 ( -0.000 3.343 -0.000) 3.343 8.931 ( -0.000 0.143 -0.000) 0.143 8.972 ( 0.000 -0.286 0.000) 0.286 9.281 ( 0.000 -0.478 0.000) 0.478 9.325 ( 0.000 -0.911 0.000) 0.911 9.381 ( -0.000 2.406 -0.000) 2.406 9.424 ( -0.000 1.110 -0.000) 1.110 9.641 ( 0.000 -4.890 0.000) 4.890 9.754 ( 0.000 -6.036 0.000) 6.036 10.112 ( -0.000 5.828 -0.000) 5.828 10.385 ( 0.000 -5.648 0.000) 5.648 ======================= Grid point 25 (10/63) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.289 ( -11.729 0.000 14.780) 18.868 0.401 ( 0.347 -0.000 20.361) 20.364 0.844 ( 3.643 -0.000 42.227) 42.383 1.238 ( 1.617 -0.000 -1.849) 2.456 1.400 ( 0.010 -0.000 0.307) 0.307 1.509 ( -2.775 0.000 -17.255) 17.477 1.724 ( -1.843 0.000 -2.711) 3.279 1.772 ( -0.028 0.000 2.225) 2.225 1.856 ( -1.874 0.000 2.081) 2.800 1.888 ( -0.069 0.000 -3.070) 3.071 2.050 ( -2.268 0.000 -5.808) 6.235 2.220 ( 5.057 -0.000 -4.506) 6.773 2.282 ( -0.854 0.000 0.614) 1.052 2.366 ( 3.924 -0.000 -1.803) 4.318 2.456 ( 2.324 -0.000 -6.180) 6.602 2.530 ( -0.965 0.000 -8.936) 8.988 2.566 ( -7.707 0.000 -5.403) 9.412 2.727 ( 10.728 -0.000 -2.409) 10.995 2.733 ( 3.403 -0.000 1.162) 3.596 2.752 ( 2.620 -0.000 0.189) 2.627 2.974 ( 0.708 -0.000 -2.512) 2.610 3.016 ( 7.464 -0.000 7.992) 10.936 3.049 ( 9.069 -0.000 -3.906) 9.874 3.137 ( 1.775 -0.000 -3.681) 4.086 3.282 ( -3.665 0.000 -3.957) 5.394 3.371 ( -4.084 0.000 3.461) 5.353 3.373 ( 0.661 -0.000 -0.647) 0.925 3.452 ( 3.720 -0.000 6.274) 7.294 3.532 ( -4.849 0.000 -2.001) 5.246 3.656 ( -4.419 0.000 5.644) 7.168 3.748 ( 1.686 -0.000 -7.902) 8.080 3.905 ( 2.947 -0.000 -3.361) 4.470 3.914 ( -6.164 0.000 6.630) 9.053 3.932 ( 0.627 -0.000 -4.107) 4.154 4.079 ( 0.218 -0.000 3.051) 3.059 4.170 ( 2.612 -0.000 6.549) 7.051 4.376 ( 10.814 -0.000 -7.705) 13.278 4.557 ( 0.287 -0.000 -3.140) 3.153 4.621 ( -1.516 0.000 1.858) 2.397 4.655 ( -9.460 0.000 1.460) 9.572 4.821 ( 3.829 -0.000 -0.142) 3.831 4.871 ( -1.735 0.000 4.875) 5.174 4.975 ( -7.130 0.000 4.155) 8.252 5.015 ( 1.021 -0.000 2.076) 2.313 5.071 ( -0.047 0.000 6.531) 6.531 5.159 ( 2.001 -0.000 1.493) 2.497 5.378 ( -11.274 0.000 -4.946) 12.311 5.386 ( -2.484 0.000 2.509) 3.531 5.673 ( 11.635 -0.000 6.120) 13.146 5.716 ( -4.866 0.000 -11.141) 12.157 5.841 ( 3.185 -0.000 -3.613) 4.816 5.920 ( 2.802 -0.000 -0.250) 2.813 5.973 ( -7.384 0.000 -4.591) 8.695 6.023 ( 1.303 -0.000 -1.189) 1.764 6.091 ( -4.728 0.000 1.797) 5.058 6.222 ( 20.704 -0.000 -3.369) 20.977 6.296 ( 2.138 -0.000 5.486) 5.887 6.419 ( -3.808 0.000 -0.069) 3.808 6.589 ( -1.300 0.000 -1.571) 2.039 6.592 ( -0.248 0.000 1.795) 1.812 6.662 ( 5.816 -0.000 -0.563) 5.843 6.705 ( 0.213 -0.000 2.707) 2.715 6.805 ( -3.308 0.000 4.377) 5.486 6.950 ( -2.109 0.000 -2.130) 2.997 7.014 ( -1.253 0.000 -2.743) 3.016 7.046 ( 2.477 -0.000 2.304) 3.383 7.281 ( 1.290 -0.000 1.467) 1.954 7.314 ( -7.864 0.000 -1.383) 7.985 7.414 ( -3.750 0.000 -0.816) 3.838 7.508 ( 2.233 -0.000 -2.785) 3.569 7.904 ( -2.982 0.000 4.620) 5.499 8.087 ( 23.217 -0.000 0.055) 23.217 8.583 ( -0.568 0.000 1.420) 1.530 8.702 ( -24.382 0.000 1.837) 24.451 8.943 ( 0.632 -0.000 2.453) 2.533 9.026 ( -2.037 0.000 1.812) 2.726 9.261 ( 1.081 -0.000 -2.040) 2.308 9.412 ( -0.409 0.000 3.352) 3.377 9.429 ( -1.197 0.000 -1.752) 2.122 9.519 ( -2.404 0.000 -0.857) 2.552 9.696 ( -0.397 0.000 -3.102) 3.127 9.907 ( 2.873 -0.000 2.195) 3.616 9.971 ( 7.084 -0.000 -0.978) 7.151 10.088 ( 2.978 -0.000 -1.474) 3.323 ======================= Grid point 26 (11/63) ======================= q-point: ( 0.20 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( 7.159 -12.396 10.980) 18.041 0.744 ( 10.129 -14.053 12.907) 21.603 1.192 ( -1.964 6.340 -4.216) 7.863 1.238 ( 3.714 -2.258 16.392) 16.959 1.338 ( 0.138 -0.387 -1.437) 1.495 1.436 ( 3.964 -4.128 -1.812) 6.003 1.675 ( 1.519 1.533 -3.995) 4.541 1.740 ( -1.988 0.806 0.679) 2.250 1.823 ( -1.514 1.516 -0.132) 2.146 1.890 ( -0.421 -2.662 -1.046) 2.891 2.009 ( 1.341 1.062 0.048) 1.711 2.199 ( -1.401 0.211 -6.837) 6.983 2.269 ( -3.535 0.950 -2.145) 4.243 2.331 ( -5.547 -0.011 -7.512) 9.338 2.427 ( -5.481 -2.254 -5.257) 7.922 2.469 ( 6.004 -2.559 -3.130) 7.239 2.525 ( 1.958 -2.123 -6.635) 7.236 2.742 ( 2.647 2.082 0.548) 3.412 2.834 ( 5.148 -2.770 -0.821) 5.903 2.869 ( 4.598 1.133 0.380) 4.751 2.955 ( 3.787 3.876 -5.066) 7.419 3.058 ( 1.170 3.429 2.421) 4.357 3.109 ( 1.723 1.689 -2.112) 3.207 3.191 ( 3.564 -2.178 -1.059) 4.309 3.223 ( 4.759 7.126 2.724) 8.992 3.276 ( -2.640 -3.644 0.283) 4.509 3.412 ( 1.591 2.899 2.880) 4.385 3.448 ( -4.284 2.507 0.730) 5.017 3.610 ( -0.878 -0.940 -1.271) 1.809 3.652 ( 0.236 -0.769 4.077) 4.155 3.712 ( 1.782 -2.376 0.660) 3.043 3.814 ( -6.142 -0.338 -1.520) 6.337 3.892 ( 0.346 2.237 -1.521) 2.727 3.953 ( 1.671 -2.562 -4.123) 5.134 4.077 ( -0.411 0.736 0.219) 0.871 4.203 ( 1.041 2.277 0.992) 2.693 4.329 ( 3.062 11.178 -0.746) 11.613 4.525 ( 1.463 -2.070 -3.425) 4.261 4.628 ( 3.084 1.226 4.984) 5.988 4.686 ( 0.379 5.161 -0.336) 5.186 4.768 ( -3.964 0.751 -1.443) 4.285 4.863 ( -7.254 -5.982 5.461) 10.873 4.918 ( -5.978 -0.200 5.442) 8.087 5.100 ( -7.073 2.715 -1.384) 7.702 5.148 ( 0.588 -8.328 1.680) 8.516 5.166 ( 0.235 -3.719 4.530) 5.865 5.257 ( 1.296 0.080 1.911) 2.310 5.398 ( -0.877 -2.181 0.430) 2.390 5.658 ( 4.789 -1.741 -10.574) 11.738 5.769 ( 1.330 1.793 1.561) 2.724 5.801 ( -2.412 4.290 -2.835) 5.680 5.855 ( 1.569 0.371 -2.749) 3.187 6.001 ( -1.768 -1.032 -1.051) 2.302 6.008 ( -0.610 -2.064 3.917) 4.469 6.099 ( -2.123 -4.773 0.016) 5.224 6.280 ( 4.585 5.053 2.531) 7.278 6.341 ( -0.253 1.181 -3.172) 3.394 6.397 ( 1.851 1.023 1.163) 2.414 6.570 ( 0.620 -0.782 -2.169) 2.388 6.590 ( -0.297 1.274 1.815) 2.237 6.716 ( 1.366 -0.093 -0.264) 1.395 6.743 ( 2.807 -0.784 0.892) 3.047 6.841 ( 1.758 -0.430 3.205) 3.681 6.901 ( -0.911 1.352 -0.429) 1.686 6.982 ( -0.531 0.969 -2.392) 2.635 7.087 ( 1.827 -0.232 2.392) 3.019 7.245 ( -6.180 -1.499 -0.109) 6.361 7.315 ( 0.586 -0.525 1.254) 1.481 7.396 ( 1.781 -0.562 -3.261) 3.758 7.514 ( 1.581 -0.283 -2.635) 3.086 7.900 ( -5.058 -2.567 2.942) 6.389 8.241 ( 13.399 11.270 -0.305) 17.511 8.423 ( -11.167 2.207 9.886) 15.077 8.580 ( -2.749 -0.721 2.566) 3.829 8.965 ( 0.251 0.075 3.090) 3.101 9.004 ( -2.692 0.386 1.288) 3.009 9.270 ( 1.299 -0.375 -1.136) 1.766 9.384 ( -2.304 0.725 -2.205) 3.270 9.418 ( 0.141 1.490 -0.235) 1.515 9.433 ( -1.610 3.266 4.160) 5.528 9.695 ( -1.050 -3.283 -3.839) 5.159 9.936 ( 3.202 2.587 2.048) 4.598 10.091 ( -4.016 -8.614 -5.076) 10.775 10.130 ( 2.025 -2.310 -1.822) 3.572 ======================= Grid point 27 (12/63) ======================= q-point: ( 0.40 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 4.270 -6.984 6.524) 10.468 0.977 ( -4.005 9.651 -1.467) 10.552 0.996 ( -0.905 11.806 -5.207) 12.935 1.132 ( 8.248 -9.952 2.952) 13.258 1.506 ( 4.220 -0.725 -7.319) 8.479 1.595 ( 2.050 -1.501 9.418) 9.755 1.685 ( 4.929 -0.981 -4.737) 6.906 1.752 ( -1.880 -2.516 1.575) 3.514 1.851 ( -2.249 -7.102 4.037) 8.473 1.973 ( 2.890 -4.687 7.783) 9.534 2.008 ( 0.984 2.940 -0.921) 3.234 2.119 ( -4.455 -1.040 -3.900) 6.012 2.150 ( -9.381 -3.809 -12.916) 16.411 2.235 ( -2.418 0.211 -1.323) 2.764 2.400 ( -0.605 -0.612 -5.881) 5.944 2.494 ( 2.936 -1.465 -2.942) 4.407 2.637 ( 0.811 -5.934 4.084) 7.250 2.705 ( 4.184 8.515 1.584) 9.618 2.815 ( 0.155 4.356 -0.358) 4.373 2.906 ( 2.900 -0.088 -1.962) 3.502 2.918 ( 5.631 4.482 -1.110) 7.282 3.049 ( 2.211 0.794 -4.020) 4.656 3.097 ( 0.611 2.963 -1.233) 3.267 3.135 ( -3.059 3.791 1.769) 5.182 3.218 ( -1.531 -0.386 -1.192) 1.978 3.326 ( 1.541 1.146 -1.861) 2.674 3.392 ( 2.352 1.628 -0.246) 2.871 3.437 ( 2.352 -1.679 2.315) 3.703 3.552 ( -2.237 -0.446 -2.069) 3.080 3.632 ( -1.963 1.137 -1.630) 2.793 3.718 ( -1.076 -1.238 3.402) 3.777 3.798 ( -2.435 5.625 -2.552) 6.640 3.935 ( 4.744 -3.785 0.763) 6.116 4.019 ( 2.727 -1.468 -0.066) 3.098 4.081 ( 1.999 -4.776 -0.790) 5.238 4.169 ( 4.368 5.996 -0.667) 7.448 4.284 ( 3.177 0.972 0.856) 3.430 4.475 ( -3.977 5.682 -4.085) 8.049 4.545 ( -2.872 -1.254 -7.041) 7.707 4.620 ( -4.241 5.549 -0.984) 7.053 4.731 ( -3.852 -2.422 7.386) 8.675 4.888 ( -3.511 1.189 6.480) 7.465 4.953 ( -0.172 -4.521 2.990) 5.424 5.008 ( 0.409 -0.242 0.006) 0.475 5.219 ( -5.934 -4.492 0.007) 7.443 5.262 ( -0.648 -1.835 6.075) 6.379 5.294 ( 1.663 1.026 2.763) 3.384 5.465 ( 2.415 -5.226 -0.013) 5.758 5.669 ( -4.120 3.623 -0.751) 5.538 5.713 ( 9.657 2.870 -4.469) 11.021 5.769 ( 0.443 -1.497 -1.147) 1.938 5.867 ( -2.428 -3.925 -4.238) 6.266 5.974 ( -1.289 0.707 1.267) 1.941 6.044 ( -4.011 -2.508 3.521) 5.897 6.148 ( 0.185 -2.710 0.175) 2.722 6.251 ( -1.251 0.467 -3.333) 3.591 6.314 ( 0.236 3.238 2.885) 4.343 6.415 ( 3.964 1.466 0.464) 4.252 6.557 ( -3.120 -0.264 0.975) 3.280 6.584 ( 2.194 1.845 -1.778) 3.373 6.722 ( 1.609 0.377 -2.882) 3.322 6.788 ( -0.392 -1.908 0.745) 2.086 6.829 ( -0.249 2.214 0.671) 2.327 6.911 ( 1.275 1.352 0.693) 1.983 6.963 ( 0.484 -0.848 0.764) 1.240 7.127 ( 0.052 0.575 1.776) 1.868 7.182 ( -4.186 -1.241 -0.037) 4.366 7.329 ( 1.039 0.616 1.491) 1.919 7.418 ( 3.563 -0.677 -4.251) 5.588 7.524 ( 1.891 -0.349 -2.584) 3.220 7.880 ( -6.926 -3.299 -0.067) 7.672 8.139 ( -1.004 10.195 5.578) 11.664 8.455 ( 4.854 -0.413 2.221) 5.354 8.572 ( -5.092 -1.827 4.560) 7.076 8.968 ( -2.593 0.503 0.902) 2.791 8.990 ( -0.042 -0.267 3.291) 3.302 9.289 ( 1.189 -0.371 -0.038) 1.246 9.339 ( -1.235 -0.184 -2.025) 2.379 9.380 ( -0.336 1.184 -0.552) 1.348 9.428 ( -0.764 0.825 3.568) 3.741 9.718 ( -0.705 -4.543 -3.763) 5.941 9.921 ( 0.606 3.794 0.437) 3.867 10.104 ( -4.149 -4.710 -4.701) 7.842 10.171 ( 8.081 3.453 -0.806) 8.825 ======================= Grid point 28 (13/63) ======================= q-point: (-0.40 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( -4.575 14.750 0.542) 15.453 0.708 ( -6.044 15.432 3.157) 16.871 1.190 ( 6.964 -7.333 7.067) 12.338 1.295 ( -0.838 -3.603 -3.173) 4.874 1.469 ( -6.325 13.794 2.724) 15.418 1.564 ( 2.218 -2.279 -4.600) 5.592 1.715 ( -1.562 -2.448 -3.453) 4.512 1.776 ( -0.055 1.136 -1.251) 1.690 1.888 ( -9.024 2.981 2.795) 9.907 1.928 ( -2.391 0.090 4.220) 4.852 2.048 ( -0.842 -1.815 -6.676) 6.969 2.076 ( 3.093 -8.392 -0.613) 8.965 2.127 ( -2.260 -5.063 -3.535) 6.575 2.287 ( 0.753 -6.286 0.103) 6.332 2.347 ( 2.501 1.418 -0.073) 2.876 2.536 ( 9.106 2.146 -3.331) 9.930 2.675 ( 4.179 5.548 0.003) 6.946 2.755 ( 0.887 1.101 4.890) 5.091 2.829 ( 0.687 -4.485 -0.340) 4.550 2.885 ( 1.481 1.032 -4.532) 4.878 2.944 ( 0.946 1.732 -2.084) 2.871 3.014 ( 3.978 3.146 -7.455) 9.017 3.024 ( -0.553 2.365 -1.283) 2.747 3.125 ( 2.175 -0.805 -3.088) 3.862 3.150 ( -0.946 2.520 -0.119) 2.694 3.314 ( -2.738 -3.967 -1.253) 4.980 3.394 ( 6.679 4.937 0.180) 8.308 3.438 ( -3.148 1.535 -0.793) 3.591 3.603 ( -1.166 0.239 1.559) 1.962 3.616 ( -0.198 -6.751 0.568) 6.777 3.711 ( 2.435 0.440 -1.303) 2.797 3.779 ( -0.594 -4.534 2.831) 5.378 3.945 ( -2.648 2.511 0.448) 3.677 4.056 ( 7.042 3.844 0.799) 8.062 4.114 ( -6.345 -0.180 0.641) 6.380 4.226 ( 2.619 -3.594 -2.989) 5.358 4.316 ( 0.684 1.356 -1.376) 2.049 4.336 ( 2.733 4.156 -3.958) 6.357 4.485 ( -5.056 -5.776 -4.803) 9.055 4.555 ( 0.809 -3.751 -1.481) 4.113 4.770 ( 0.786 -1.017 3.332) 3.572 4.886 ( -0.732 1.157 6.479) 6.622 5.016 ( 2.842 1.210 4.272) 5.271 5.075 ( 3.781 -0.756 2.395) 4.539 5.162 ( -6.176 0.403 0.431) 6.204 5.234 ( -4.006 5.939 2.975) 7.757 5.338 ( 1.740 -1.431 5.342) 5.798 5.499 ( -5.470 1.407 2.692) 6.257 5.646 ( 0.638 -4.726 -2.886) 5.574 5.708 ( -2.481 -2.120 -3.698) 4.933 5.813 ( 5.583 3.050 0.385) 6.373 5.872 ( -3.139 -4.620 -1.521) 5.789 5.957 ( -0.231 -0.212 -3.381) 3.396 6.048 ( -1.514 0.484 4.323) 4.606 6.174 ( -0.183 0.562 1.477) 1.591 6.206 ( -1.456 -0.753 -4.515) 4.803 6.271 ( -1.118 4.042 1.822) 4.573 6.443 ( 2.033 0.906 0.663) 2.322 6.543 ( -1.589 -1.582 1.336) 2.610 6.561 ( 1.720 1.612 -3.227) 3.996 6.695 ( -0.455 1.956 -2.085) 2.895 6.772 ( -3.204 -0.256 0.431) 3.243 6.865 ( 4.009 -1.026 1.044) 4.268 6.891 ( -0.994 0.184 -0.354) 1.071 7.006 ( 0.413 -1.561 1.763) 2.390 7.052 ( -6.316 1.344 0.844) 6.512 7.224 ( 2.581 -1.682 0.290) 3.094 7.362 ( 3.115 -0.470 2.615) 4.094 7.437 ( 2.906 0.102 -4.240) 5.142 7.538 ( 2.932 0.557 -1.656) 3.413 7.818 ( -8.166 -2.559 -3.111) 9.106 8.022 ( -1.515 7.585 4.149) 8.778 8.529 ( 4.499 0.450 1.542) 4.777 8.576 ( -8.419 -5.534 7.825) 12.757 8.940 ( -1.816 0.132 0.956) 2.057 9.015 ( -0.505 -0.585 3.125) 3.220 9.295 ( -0.120 0.087 -0.797) 0.811 9.344 ( 0.764 -1.162 0.176) 1.402 9.374 ( 0.237 -0.830 -0.107) 0.870 9.432 ( -0.313 0.118 2.132) 2.158 9.755 ( 0.822 -2.182 -1.943) 3.036 9.863 ( -1.673 1.622 -1.398) 2.718 10.081 ( -2.389 -2.128 -3.746) 4.926 10.212 ( 15.294 9.973 -3.215) 18.539 ======================= Grid point 29 (14/63) ======================= q-point: (-0.20 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.410 ( -8.604 10.506 8.931) 16.253 0.501 ( -2.820 11.687 22.189) 25.236 0.932 ( -16.349 29.027 16.039) 36.974 1.306 ( -6.771 -1.328 -2.292) 7.271 1.362 ( 2.430 -3.369 0.462) 4.180 1.622 ( -2.843 -3.562 -8.462) 9.611 1.691 ( 2.276 -4.805 -6.168) 8.143 1.742 ( -4.619 -4.886 -1.414) 6.871 1.864 ( -1.027 -1.835 -1.865) 2.811 1.913 ( -4.076 0.742 1.868) 4.545 2.106 ( 1.113 -2.153 -2.017) 3.154 2.126 ( 4.322 -2.327 -1.994) 5.298 2.203 ( 6.016 -2.239 4.531) 7.857 2.339 ( -1.207 1.500 -0.689) 2.045 2.424 ( 2.317 -6.748 0.741) 7.173 2.611 ( 1.139 5.277 -3.673) 6.530 2.644 ( 10.279 2.533 -8.384) 13.505 2.725 ( -5.058 5.293 -3.264) 8.016 2.752 ( 2.681 4.576 -1.054) 5.407 2.831 ( 1.289 3.709 -5.854) 7.049 2.874 ( 1.376 1.585 -1.263) 2.450 3.003 ( 2.725 -0.577 -7.221) 7.739 3.017 ( 2.473 3.048 1.297) 4.134 3.109 ( 1.647 -3.489 -5.568) 6.774 3.217 ( 0.468 -6.300 -0.232) 6.321 3.343 ( -0.198 -2.741 -1.588) 3.174 3.414 ( 1.657 2.186 5.222) 5.899 3.433 ( 2.626 2.014 2.361) 4.065 3.592 ( -7.312 -2.755 3.688) 8.640 3.685 ( -3.133 -1.511 3.976) 5.282 3.753 ( 0.987 -2.775 -5.341) 6.099 3.851 ( 4.240 -2.557 -4.163) 6.469 3.902 ( -2.162 1.011 9.024) 9.335 4.031 ( 0.028 7.660 -5.068) 9.184 4.062 ( -2.790 -0.515 -0.614) 2.903 4.114 ( 1.787 2.357 1.105) 3.157 4.315 ( 5.392 1.333 -4.830) 7.360 4.452 ( 3.538 -8.287 -0.793) 9.046 4.566 ( -2.098 -10.941 -2.674) 11.457 4.664 ( 1.083 -7.993 1.565) 8.216 4.816 ( 0.930 0.205 0.197) 0.972 4.885 ( -0.409 5.389 4.906) 7.299 5.033 ( 3.884 6.531 5.688) 9.492 5.050 ( -6.909 3.876 3.772) 8.774 5.105 ( -0.021 4.258 1.342) 4.465 5.129 ( 0.553 1.246 1.466) 2.002 5.417 ( -7.118 -0.933 2.881) 7.735 5.456 ( 3.517 -2.683 8.273) 9.381 5.560 ( -9.574 -1.070 -7.234) 12.047 5.801 ( 3.634 -5.012 -2.197) 6.569 5.825 ( 3.028 1.621 2.575) 4.293 5.887 ( -2.832 -0.366 -9.328) 9.755 5.925 ( 0.562 -2.982 6.481) 7.156 6.041 ( 2.174 3.422 2.207) 4.616 6.130 ( -5.270 0.769 -4.437) 6.932 6.164 ( -2.235 1.983 -0.935) 3.130 6.243 ( 4.986 3.001 3.931) 7.023 6.446 ( -0.426 -0.085 -0.785) 0.897 6.563 ( 2.838 0.094 -0.801) 2.950 6.574 ( 0.260 -1.626 1.161) 2.015 6.650 ( -0.376 0.970 -0.912) 1.383 6.730 ( -3.412 1.144 1.174) 3.785 6.846 ( -5.019 -0.174 2.001) 5.406 6.962 ( 2.490 -1.971 -1.263) 3.418 6.985 ( -0.418 -0.903 -0.155) 1.007 7.034 ( -1.551 -1.255 1.333) 2.400 7.261 ( 1.245 -0.133 0.176) 1.265 7.414 ( 0.070 1.083 -3.078) 3.264 7.460 ( 3.734 -2.048 -2.392) 4.884 7.543 ( -2.555 1.203 -3.554) 4.540 7.770 ( 4.036 -2.050 6.352) 7.800 7.940 ( -1.029 4.723 4.448) 6.569 8.571 ( 2.035 0.594 1.201) 2.437 8.665 ( -14.793 -18.965 11.737) 26.763 8.931 ( -0.956 -0.158 1.245) 1.578 9.031 ( -1.325 -0.496 2.647) 3.001 9.280 ( -0.162 0.436 -2.319) 2.365 9.377 ( 0.160 -1.013 4.219) 4.342 9.407 ( 1.103 -2.349 0.223) 2.605 9.444 ( -0.046 -0.848 0.756) 1.137 9.745 ( -0.133 2.470 -0.919) 2.638 9.853 ( 0.443 -2.200 -0.873) 2.408 10.070 ( 0.669 -0.865 -2.993) 3.187 10.167 ( 22.089 24.811 -10.957) 34.979 ======================= Grid point 31 (15/63) ======================= q-point: ( 0.20 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( 19.573 -0.000 9.774) 21.878 0.858 ( 12.032 -0.000 13.559) 18.127 1.243 ( -2.562 0.000 -10.816) 11.115 1.304 ( 5.382 -0.000 -1.027) 5.479 1.402 ( -0.768 0.000 2.218) 2.347 1.481 ( 6.156 -0.000 23.789) 24.573 1.626 ( 0.800 -0.000 -5.317) 5.377 1.744 ( -1.052 0.000 -6.427) 6.512 1.806 ( 2.335 -0.000 2.652) 3.534 1.844 ( -2.824 0.000 -0.222) 2.833 2.039 ( 0.204 -0.000 -0.833) 0.858 2.053 ( -9.797 0.000 -8.591) 13.030 2.155 ( -8.681 0.000 -2.834) 9.132 2.167 ( -5.347 0.000 -6.364) 8.312 2.341 ( -3.489 0.000 -4.372) 5.594 2.448 ( 2.405 -0.000 -12.638) 12.865 2.564 ( 5.875 -0.000 -5.975) 8.379 2.788 ( 7.238 -0.000 -2.749) 7.743 2.913 ( 7.447 -0.000 0.540) 7.467 2.987 ( 9.583 -0.000 -1.511) 9.702 3.037 ( 4.099 -0.000 1.055) 4.233 3.059 ( -4.776 0.000 0.319) 4.786 3.102 ( 0.421 -0.000 -2.636) 2.669 3.215 ( -6.990 0.000 6.065) 9.254 3.268 ( 0.724 -0.000 -0.451) 0.853 3.268 ( 3.765 -0.000 3.756) 5.318 3.459 ( 2.048 -0.000 -0.201) 2.057 3.564 ( -8.086 0.000 6.258) 10.225 3.610 ( -10.900 0.000 -4.585) 11.826 3.626 ( 3.990 -0.000 2.356) 4.634 3.672 ( 10.420 -0.000 -9.081) 13.822 3.752 ( 2.347 -0.000 3.170) 3.945 3.888 ( 0.749 -0.000 3.550) 3.628 3.953 ( 1.329 -0.000 0.824) 1.564 4.071 ( 0.408 -0.000 -2.351) 2.387 4.208 ( -1.510 0.000 1.766) 2.324 4.456 ( 1.864 -0.000 -6.782) 7.034 4.609 ( -0.506 0.000 4.818) 4.845 4.612 ( 2.031 -0.000 -4.368) 4.817 4.700 ( -7.620 0.000 9.237) 11.975 4.722 ( 5.391 -0.000 3.712) 6.545 4.829 ( -5.067 0.000 -3.274) 6.033 4.893 ( -10.504 0.000 -6.533) 12.370 4.914 ( -4.168 0.000 7.287) 8.395 5.115 ( 2.646 -0.000 -0.441) 2.682 5.192 ( 1.383 -0.000 6.038) 6.195 5.313 ( 3.092 -0.000 4.746) 5.664 5.338 ( -0.285 0.000 -2.870) 2.884 5.672 ( 1.549 -0.000 -4.206) 4.482 5.754 ( -3.174 0.000 -2.521) 4.053 5.787 ( -7.515 0.000 -1.700) 7.704 5.840 ( 9.179 -0.000 -7.109) 11.610 5.966 ( -6.936 0.000 3.991) 8.002 5.995 ( 0.668 -0.000 0.671) 0.947 6.090 ( 3.730 -0.000 1.986) 4.226 6.249 ( -2.828 0.000 -4.018) 4.914 6.388 ( -3.291 0.000 6.153) 6.977 6.451 ( 2.345 -0.000 -1.601) 2.839 6.587 ( 7.093 -0.000 -5.493) 8.971 6.601 ( -1.252 0.000 1.644) 2.066 6.727 ( 0.488 -0.000 -0.743) 0.888 6.764 ( 0.252 -0.000 1.279) 1.304 6.866 ( -0.475 0.000 -0.292) 0.558 6.922 ( 2.647 -0.000 0.704) 2.739 7.000 ( 4.434 -0.000 -2.640) 5.160 7.092 ( -2.810 0.000 4.531) 5.332 7.182 ( -3.267 0.000 0.852) 3.376 7.343 ( 1.357 -0.000 2.326) 2.693 7.401 ( 3.841 -0.000 -4.349) 5.803 7.505 ( 0.064 -0.000 -1.992) 1.993 7.815 ( -7.229 0.000 1.287) 7.343 8.332 ( -12.769 0.000 7.819) 14.973 8.478 ( 12.918 -0.000 -4.575) 13.704 8.558 ( -4.007 0.000 4.968) 6.383 8.978 ( -2.549 0.000 0.539) 2.606 8.986 ( -0.293 0.000 3.232) 3.245 9.281 ( 1.611 -0.000 -0.381) 1.655 9.339 ( -2.699 0.000 -2.216) 3.493 9.425 ( 0.092 -0.000 -2.314) 2.316 9.470 ( -2.596 0.000 4.697) 5.367 9.619 ( -1.031 0.000 -5.887) 5.977 9.877 ( -7.376 0.000 5.022) 8.923 10.043 ( 5.078 -0.000 0.967) 5.169 10.201 ( 5.679 -0.000 -0.644) 5.716 ======================= Grid point 32 (16/63) ======================= q-point: ( 0.40 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 10.959 3.591 8.987) 14.621 1.079 ( 1.456 2.947 2.612) 4.198 1.144 ( 7.141 -1.806 0.415) 7.377 1.204 ( 2.403 13.746 0.830) 13.979 1.493 ( 2.173 -3.219 -0.725) 3.951 1.615 ( -0.841 -4.556 -4.660) 6.571 1.685 ( 4.775 -5.318 3.168) 7.818 1.697 ( 2.204 2.187 -3.709) 4.837 1.797 ( -3.068 -1.890 -1.832) 4.042 1.902 ( -1.101 -2.105 -1.481) 2.800 1.921 ( -4.287 -3.651 -8.124) 9.885 2.026 ( -2.399 -1.650 0.391) 2.938 2.032 ( -5.221 -0.002 -1.889) 5.552 2.173 ( -2.875 -4.284 5.416) 7.480 2.253 ( -1.452 -3.741 -6.294) 7.464 2.503 ( 3.292 -8.518 -3.354) 9.729 2.578 ( 1.630 1.218 2.021) 2.869 2.847 ( 6.437 3.143 -2.978) 7.758 2.947 ( 0.151 8.192 1.349) 8.304 2.971 ( -2.628 5.059 -2.984) 6.435 3.013 ( -3.276 0.700 -0.786) 3.441 3.087 ( 11.545 2.145 -3.952) 12.390 3.119 ( 3.184 -1.392 -4.151) 5.414 3.193 ( 1.421 0.713 9.689) 9.819 3.217 ( 0.179 3.465 -1.264) 3.692 3.326 ( -1.901 3.003 -1.642) 3.915 3.378 ( -3.392 1.592 -6.201) 7.245 3.446 ( -5.590 -0.954 -2.704) 6.283 3.532 ( -0.176 -3.684 -0.904) 3.797 3.621 ( -0.057 2.327 1.004) 2.535 3.721 ( -4.152 1.279 0.406) 4.364 3.852 ( 6.526 -3.186 1.470) 7.409 3.903 ( -0.866 3.148 4.642) 5.675 4.016 ( -0.500 2.100 -1.286) 2.513 4.113 ( 9.760 -3.530 0.764) 10.407 4.243 ( 1.577 -3.087 1.900) 3.953 4.384 ( -2.455 7.924 -2.504) 8.665 4.452 ( -3.888 3.249 -7.344) 8.923 4.571 ( 2.561 9.086 -2.858) 9.864 4.636 ( -3.425 3.212 4.255) 6.336 4.703 ( -2.397 0.960 4.125) 4.866 4.872 ( -6.833 -10.231 -4.320) 13.039 4.910 ( -1.431 -1.804 8.837) 9.132 4.940 ( 5.074 -4.438 3.061) 7.403 5.147 ( 2.849 0.755 -1.175) 3.173 5.278 ( 1.299 -2.833 5.478) 6.302 5.350 ( 2.767 -0.153 2.848) 3.974 5.427 ( 2.816 -4.337 2.163) 5.605 5.602 ( -9.029 -1.239 -1.988) 9.327 5.659 ( -8.606 -1.611 -3.240) 9.336 5.708 ( -2.534 -0.658 -1.852) 3.207 5.909 ( 0.697 0.150 -3.027) 3.110 5.957 ( 7.703 1.082 -1.366) 7.898 6.011 ( -0.377 -1.149 2.876) 3.120 6.148 ( 2.108 -1.175 0.932) 2.587 6.200 ( -1.055 0.265 -2.740) 2.948 6.368 ( -3.425 1.477 4.857) 6.124 6.459 ( -0.859 -1.465 -0.240) 1.715 6.575 ( 0.034 2.109 0.648) 2.206 6.616 ( 3.844 3.681 -3.497) 6.368 6.716 ( -0.368 -0.291 -1.580) 1.648 6.774 ( -0.237 -0.100 0.482) 0.546 6.853 ( 0.542 -0.071 -1.010) 1.148 6.960 ( 1.623 0.463 1.985) 2.606 6.997 ( 0.966 3.966 1.436) 4.327 7.110 ( -3.416 -0.139 -0.306) 3.433 7.155 ( 1.791 -1.380 1.265) 2.591 7.368 ( 1.367 0.651 1.786) 2.341 7.428 ( 4.033 -0.353 -4.797) 6.277 7.504 ( -0.163 -1.992 -1.819) 2.702 7.739 ( -7.618 -1.934 -0.053) 7.860 8.213 ( -7.992 3.696 6.012) 10.662 8.535 ( -5.074 0.505 6.173) 8.007 8.577 ( 9.153 2.012 -2.086) 9.601 8.951 ( -1.712 0.283 0.494) 1.804 9.002 ( -0.707 -0.199 3.133) 3.218 9.294 ( -0.646 0.050 -0.766) 1.004 9.311 ( 0.502 -0.868 -0.339) 1.058 9.388 ( -0.723 1.627 -1.908) 2.610 9.452 ( -1.456 1.809 3.107) 3.879 9.614 ( -0.395 -4.951 -3.984) 6.368 9.868 ( -5.867 -4.433 2.099) 7.647 10.067 ( 2.813 3.534 -1.179) 4.668 10.282 ( 6.658 -1.844 -1.995) 7.190 ======================= Grid point 33 (17/63) ======================= q-point: (-0.40 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 1.470 14.767 6.777) 16.314 0.980 ( 0.388 17.043 3.368) 17.377 1.210 ( -1.105 -2.605 -4.093) 4.976 1.271 ( 7.105 -2.342 6.817) 10.121 1.541 ( 2.755 0.646 0.265) 2.842 1.562 ( -0.405 0.849 -8.944) 8.994 1.617 ( -4.297 4.834 -10.547) 12.373 1.780 ( -1.126 1.466 -11.713) 11.858 1.826 ( -0.241 -3.346 0.690) 3.425 1.859 ( -3.491 -5.372 1.124) 6.504 1.944 ( 4.141 -3.363 1.866) 5.652 2.022 ( -1.267 -3.784 5.876) 7.103 2.120 ( -0.722 -2.391 6.252) 6.732 2.169 ( -3.893 -3.079 2.889) 5.743 2.344 ( 3.684 -5.730 0.997) 6.885 2.561 ( -0.068 -7.636 -1.463) 7.775 2.706 ( 3.070 -2.779 -1.889) 4.552 2.826 ( -3.863 1.680 0.562) 4.250 2.848 ( 4.075 4.859 -4.367) 7.699 2.862 ( 1.514 1.879 -0.889) 2.572 2.983 ( 0.914 1.804 -0.343) 2.052 3.070 ( 1.477 6.163 -6.467) 9.055 3.125 ( 2.213 5.893 -6.206) 8.839 3.133 ( -4.233 5.390 -2.789) 7.399 3.181 ( 6.396 1.667 -5.044) 8.314 3.269 ( -0.459 -0.033 1.388) 1.462 3.384 ( 2.776 -2.903 2.526) 4.745 3.496 ( 1.175 -7.442 -0.720) 7.568 3.550 ( -5.250 -3.581 -1.182) 6.464 3.576 ( 1.700 3.406 1.317) 4.029 3.696 ( -0.731 -1.661 0.353) 1.849 3.812 ( -2.031 5.367 0.070) 5.738 3.929 ( 3.807 1.830 2.583) 4.951 4.002 ( -6.806 -2.387 1.391) 7.345 4.185 ( -3.613 1.096 -2.676) 4.628 4.217 ( 5.111 4.617 -4.904) 8.455 4.314 ( -2.927 -1.129 -6.765) 7.457 4.377 ( 2.637 2.178 3.570) 4.944 4.487 ( 2.129 6.018 5.102) 8.172 4.577 ( 6.878 3.035 -4.033) 8.531 4.748 ( -1.699 -4.003 4.267) 6.092 4.928 ( -3.099 -1.796 6.030) 7.013 4.989 ( -0.646 -9.487 0.410) 9.518 5.082 ( 4.625 -2.283 2.505) 5.734 5.156 ( 2.071 1.898 0.823) 2.927 5.295 ( -2.521 4.089 2.298) 5.325 5.407 ( 2.721 1.042 5.452) 6.182 5.425 ( -9.788 0.749 1.287) 9.901 5.559 ( -5.823 -1.855 -4.546) 7.617 5.595 ( 1.346 -5.913 0.763) 6.112 5.747 ( -0.894 -6.644 0.668) 6.737 5.898 ( -1.007 -1.012 -2.446) 2.832 5.949 ( 2.093 4.186 0.329) 4.692 6.090 ( 4.612 -0.487 0.602) 4.676 6.155 ( -1.985 1.416 -0.377) 2.467 6.201 ( 1.811 -0.413 1.142) 2.181 6.332 ( -2.144 1.607 3.104) 4.100 6.475 ( -0.831 -2.788 -0.480) 2.949 6.532 ( 1.697 7.292 -3.394) 8.220 6.566 ( -0.737 -0.354 0.958) 1.260 6.712 ( -0.814 -1.055 -1.321) 1.876 6.755 ( 0.733 2.566 -0.360) 2.692 6.886 ( 2.095 -1.700 -1.655) 3.165 6.927 ( -0.833 4.164 2.629) 4.995 6.989 ( -2.979 -0.253 2.762) 4.070 7.034 ( -0.867 2.659 0.063) 2.798 7.236 ( 3.137 -1.907 0.160) 3.675 7.391 ( 1.170 -0.581 0.663) 1.465 7.443 ( 2.780 -0.607 -5.549) 6.236 7.522 ( -1.357 -2.195 -2.686) 3.725 7.700 ( -2.350 -2.452 2.260) 4.079 8.105 ( -4.598 4.774 4.249) 7.873 8.495 ( -6.863 0.288 7.200) 9.950 8.623 ( 4.970 2.819 -0.700) 5.756 8.938 ( -0.465 0.334 1.150) 1.285 9.014 ( -1.439 -0.427 2.909) 3.274 9.282 ( -0.253 -0.265 -1.279) 1.331 9.340 ( 1.017 -1.105 0.537) 1.595 9.363 ( -0.476 -0.568 0.528) 0.910 9.428 ( -1.352 0.278 0.160) 1.390 9.696 ( 2.054 -6.299 -0.768) 6.670 9.854 ( -2.953 0.138 -0.432) 2.988 10.027 ( 0.000 1.217 -2.155) 2.475 10.376 ( 6.874 -1.824 -6.288) 9.493 ======================= Grid point 34 (18/63) ======================= q-point: (-0.20 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 2.372 19.643 3.848) 20.156 0.788 ( 0.098 13.130 16.216) 20.866 1.187 ( -2.971 -2.360 -4.424) 5.828 1.316 ( -6.088 1.055 -5.911) 8.551 1.395 ( 0.600 15.403 6.418) 16.697 1.463 ( 1.878 1.389 -10.096) 10.362 1.614 ( -0.187 -2.875 -0.404) 2.909 1.663 ( 5.972 -1.262 3.544) 7.058 1.830 ( -2.552 -1.164 -1.090) 3.009 1.907 ( 0.064 0.189 4.052) 4.057 2.035 ( -2.319 0.033 -4.454) 5.021 2.125 ( 6.644 -6.728 -0.927) 9.501 2.208 ( 0.908 -7.725 4.889) 9.187 2.290 ( -0.171 -6.219 3.366) 7.074 2.444 ( 2.194 2.894 4.001) 5.403 2.645 ( -2.133 3.856 -6.345) 7.725 2.688 ( 0.412 6.134 -10.857) 12.476 2.710 ( -5.688 -4.098 -3.935) 8.039 2.835 ( 2.327 -3.697 -1.634) 4.664 2.853 ( 2.880 -3.205 -2.140) 4.811 2.899 ( -0.021 7.300 -5.217) 8.972 2.985 ( 1.976 1.617 -1.591) 3.008 3.065 ( 0.679 0.217 2.644) 2.738 3.077 ( 6.287 0.865 -7.142) 9.554 3.192 ( 4.752 1.786 -3.706) 6.286 3.295 ( -0.804 -3.224 0.584) 3.374 3.454 ( -1.066 1.895 0.742) 2.297 3.491 ( -7.964 -1.382 3.814) 8.937 3.568 ( 3.416 1.206 5.859) 6.889 3.669 ( -0.204 -3.735 -2.265) 4.373 3.679 ( 2.144 -2.073 -1.610) 3.389 3.813 ( 0.639 -2.825 0.616) 2.962 3.890 ( -4.316 0.193 0.586) 4.360 4.004 ( 1.306 -1.273 -1.676) 2.477 4.068 ( -2.411 3.289 -2.329) 4.696 4.163 ( -0.401 2.330 -1.921) 3.046 4.254 ( -0.645 -2.915 -3.908) 4.918 4.490 ( 6.468 -4.957 -0.989) 8.209 4.517 ( 3.035 1.700 7.957) 8.684 4.612 ( 3.591 -0.062 -2.378) 4.307 4.801 ( -2.372 -2.806 1.174) 3.857 4.939 ( -3.616 0.159 5.711) 6.761 5.060 ( -5.460 3.604 -0.058) 6.542 5.095 ( -5.256 -2.362 2.991) 6.492 5.167 ( 4.342 1.590 1.057) 4.743 5.226 ( 1.802 5.378 3.054) 6.442 5.295 ( -7.062 0.803 -0.242) 7.111 5.415 ( -3.923 0.861 3.966) 5.644 5.594 ( 8.022 -3.712 0.661) 8.864 5.718 ( 2.246 -5.709 -1.361) 6.284 5.816 ( -5.293 -3.359 -1.117) 6.368 5.832 ( 0.833 1.382 -4.406) 4.692 5.985 ( 5.829 1.696 4.539) 7.580 6.080 ( -2.785 1.976 -2.720) 4.365 6.126 ( 1.856 1.135 4.070) 4.615 6.195 ( -1.117 3.424 0.034) 3.602 6.342 ( 1.539 -0.817 2.948) 3.424 6.417 ( -2.314 2.866 -3.981) 5.424 6.526 ( 1.363 -3.236 -0.004) 3.511 6.586 ( 0.585 -0.195 1.610) 1.724 6.707 ( -0.419 -0.555 -0.737) 1.013 6.731 ( 3.822 3.522 -1.067) 5.306 6.846 ( -2.559 2.703 3.545) 5.140 6.916 ( -2.963 -0.416 -0.347) 3.012 6.978 ( 0.102 -2.023 -0.900) 2.216 7.041 ( 2.216 0.457 2.529) 3.393 7.276 ( 0.708 -0.363 0.632) 1.015 7.394 ( -5.070 -0.717 -1.933) 5.473 7.414 ( 0.110 1.213 -5.977) 6.100 7.506 ( 1.877 -0.310 -3.070) 3.612 7.852 ( 8.526 -7.254 7.713) 13.594 8.016 ( -1.969 3.693 3.491) 5.450 8.456 ( -8.871 -1.413 8.809) 12.581 8.612 ( 0.213 2.366 0.396) 2.409 8.944 ( 0.316 0.224 2.172) 2.206 9.016 ( -2.291 -0.635 2.276) 3.291 9.274 ( 0.471 0.283 -1.508) 1.605 9.376 ( 0.272 -2.137 0.415) 2.194 9.389 ( -0.112 -1.224 2.793) 3.051 9.413 ( -1.440 -0.975 -1.165) 2.093 9.784 ( -0.820 4.102 -2.306) 4.776 9.823 ( 3.355 -4.959 1.678) 6.218 10.035 ( 1.675 -2.890 -1.678) 3.738 10.370 ( 0.655 3.163 -13.290) 13.677 ======================= Grid point 37 (19/63) ======================= q-point: ( 0.40 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 1.606 -0.000 4.737) 5.002 1.200 ( 3.864 -0.000 -0.588) 3.909 1.222 ( 3.368 -0.000 3.138) 4.603 1.380 ( 1.052 -0.000 6.195) 6.284 1.431 ( -1.775 0.000 5.145) 5.442 1.602 ( 2.413 -0.000 -3.251) 4.049 1.610 ( -0.453 0.000 -0.101) 0.464 1.732 ( 1.814 -0.000 -4.524) 4.874 1.753 ( 8.496 -0.000 -18.233) 20.116 1.801 ( -4.333 0.000 -10.662) 11.509 1.827 ( -1.373 0.000 -0.385) 1.426 1.996 ( -2.342 0.000 1.720) 2.906 2.008 ( 0.136 -0.000 0.258) 0.291 2.164 ( 3.499 -0.000 9.414) 10.043 2.169 ( -3.545 0.000 1.606) 3.892 2.455 ( -0.518 0.000 -2.964) 3.009 2.675 ( 5.942 -0.000 12.886) 14.190 2.891 ( -13.371 0.000 -1.317) 13.436 2.898 ( 0.119 -0.000 -2.404) 2.407 2.978 ( 4.165 -0.000 -12.075) 12.773 3.037 ( 1.513 -0.000 -0.807) 1.714 3.108 ( 6.377 -0.000 -6.381) 9.022 3.215 ( -3.663 0.000 -2.020) 4.184 3.219 ( 10.316 -0.000 -8.213) 13.186 3.270 ( -1.738 0.000 -5.261) 5.541 3.296 ( 0.175 -0.000 -0.257) 0.311 3.323 ( 1.803 -0.000 0.615) 1.905 3.406 ( -1.990 0.000 7.142) 7.414 3.446 ( -3.072 0.000 -7.078) 7.716 3.644 ( 2.786 -0.000 -0.464) 2.825 3.729 ( -7.801 0.000 8.757) 11.728 3.754 ( -3.139 0.000 0.483) 3.176 3.972 ( -2.193 0.000 -0.305) 2.214 4.160 ( 4.817 -0.000 -4.906) 6.876 4.177 ( 4.310 -0.000 1.628) 4.608 4.224 ( 5.201 -0.000 -0.350) 5.213 4.380 ( 2.715 -0.000 -5.532) 6.162 4.488 ( -5.841 0.000 4.595) 7.432 4.511 ( -1.752 0.000 -1.857) 2.553 4.616 ( -4.834 0.000 -1.272) 4.999 4.744 ( -2.654 0.000 3.158) 4.125 4.771 ( -1.004 0.000 5.644) 5.733 4.957 ( 2.094 -0.000 3.331) 3.934 4.978 ( 6.999 -0.000 0.588) 7.024 5.230 ( 4.769 -0.000 4.495) 6.554 5.266 ( -1.601 0.000 3.259) 3.631 5.399 ( 2.855 -0.000 2.814) 4.009 5.438 ( -0.216 0.000 -0.874) 0.901 5.439 ( -9.525 0.000 -1.392) 9.626 5.544 ( -4.012 0.000 1.776) 4.388 5.661 ( -2.193 0.000 -1.704) 2.777 5.869 ( -1.030 0.000 -2.531) 2.732 6.003 ( -0.113 0.000 1.218) 1.224 6.096 ( 9.039 -0.000 -2.591) 9.403 6.159 ( 0.826 -0.000 -0.683) 1.072 6.201 ( 1.113 -0.000 1.805) 2.121 6.360 ( -3.952 0.000 4.519) 6.003 6.424 ( -1.662 0.000 -0.481) 1.731 6.550 ( -2.949 0.000 0.509) 2.993 6.689 ( -0.770 0.000 -2.206) 2.337 6.725 ( 5.744 -0.000 -3.341) 6.645 6.768 ( -0.864 0.000 2.014) 2.192 6.840 ( -0.728 0.000 -0.500) 0.883 6.992 ( 0.459 -0.000 1.535) 1.602 7.020 ( -4.713 0.000 2.404) 5.291 7.142 ( 8.185 -0.000 -3.159) 8.773 7.148 ( -0.771 0.000 1.211) 1.435 7.395 ( 0.175 -0.000 1.732) 1.741 7.438 ( -4.459 0.000 -2.115) 4.935 7.453 ( 4.771 -0.000 -5.627) 7.377 7.656 ( -3.596 0.000 1.940) 4.086 8.176 ( -6.863 0.000 4.646) 8.288 8.515 ( -5.159 0.000 5.721) 7.703 8.682 ( 7.059 -0.000 -2.396) 7.454 8.943 ( -0.543 0.000 1.182) 1.301 9.009 ( -1.285 0.000 3.128) 3.381 9.273 ( -0.442 0.000 -1.088) 1.174 9.321 ( 0.854 -0.000 1.368) 1.613 9.376 ( -0.720 0.000 -2.846) 2.936 9.495 ( -1.156 0.000 5.252) 5.377 9.516 ( 0.250 -0.000 -7.237) 7.241 9.793 ( -4.315 0.000 4.727) 6.400 10.126 ( 2.266 -0.000 -4.318) 4.876 10.292 ( 2.615 -0.000 -3.177) 4.115 ======================= Grid point 38 (20/63) ======================= q-point: (-0.40 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -7.757 2.703 -7.983) 11.455 1.166 ( 3.848 6.195 7.596) 10.531 1.187 ( -1.830 6.986 0.306) 7.228 1.281 ( -7.550 6.073 -1.642) 9.828 1.534 ( 0.331 -1.728 -0.750) 1.913 1.588 ( 1.795 5.210 -6.239) 8.324 1.631 ( 0.743 0.719 2.783) 2.969 1.670 ( 6.683 -2.709 -10.627) 12.843 1.791 ( 2.754 -5.199 6.403) 8.696 1.810 ( -1.578 -5.628 -4.547) 7.405 1.912 ( 4.199 -7.191 2.394) 8.665 2.006 ( 3.427 -3.263 3.267) 5.750 2.063 ( 1.145 -0.947 4.412) 4.655 2.216 ( 2.756 -1.358 3.687) 4.799 2.330 ( 1.874 -11.623 -0.026) 11.773 2.399 ( -4.819 3.904 7.087) 9.417 2.691 ( -2.107 -1.678 -9.067) 9.459 2.811 ( -3.406 4.355 -5.057) 7.493 2.858 ( 2.599 2.472 0.789) 3.672 2.918 ( 1.681 3.881 -9.952) 10.814 3.027 ( 0.937 0.971 -3.279) 3.546 3.087 ( -0.627 2.341 0.032) 2.423 3.138 ( -3.640 3.055 -0.498) 4.778 3.216 ( 4.689 4.349 -5.501) 8.436 3.244 ( 3.427 1.072 -5.204) 6.323 3.284 ( 0.591 -1.423 -6.353) 6.537 3.369 ( -4.096 -5.381 -4.292) 8.010 3.432 ( 5.687 -2.314 0.399) 6.152 3.473 ( 3.519 2.465 6.435) 7.737 3.627 ( -0.630 0.618 3.735) 3.838 3.675 ( -3.039 0.525 3.414) 4.601 3.791 ( -1.287 -0.979 0.091) 1.620 3.903 ( -4.556 -0.081 -3.139) 5.533 4.102 ( -2.453 -0.807 -9.153) 9.510 4.142 ( 2.352 7.767 5.609) 9.865 4.266 ( 0.363 0.501 -5.564) 5.598 4.327 ( 2.384 7.954 -1.623) 8.461 4.433 ( 0.755 -0.468 2.425) 2.583 4.583 ( 2.431 2.847 0.250) 3.752 4.657 ( -2.969 -4.073 -0.057) 5.041 4.722 ( 0.075 0.859 5.954) 6.016 4.790 ( 0.941 -5.960 5.658) 8.271 4.956 ( -3.881 0.050 0.436) 3.905 5.060 ( -4.239 -4.766 2.413) 6.819 5.229 ( 1.034 1.674 1.509) 2.480 5.329 ( -1.807 0.578 4.347) 4.743 5.361 ( -1.669 3.542 -0.778) 3.992 5.398 ( 0.176 -5.433 -1.376) 5.607 5.475 ( 0.380 -0.042 3.940) 3.958 5.603 ( 4.255 -3.510 4.005) 6.816 5.667 ( 1.054 -2.974 0.005) 3.155 5.842 ( -0.523 -0.937 -4.962) 5.076 6.027 ( 2.264 0.429 3.468) 4.164 6.125 ( 0.557 1.733 -2.579) 3.157 6.167 ( 1.398 -0.406 -2.132) 2.582 6.245 ( 1.827 0.524 5.209) 5.545 6.322 ( -4.681 1.034 2.879) 5.592 6.425 ( -0.186 -2.510 -0.732) 2.621 6.532 ( -0.870 0.230 -0.067) 0.902 6.643 ( -0.351 2.748 -4.148) 4.988 6.708 ( 2.398 3.584 0.083) 4.313 6.784 ( -0.659 -0.020 1.727) 1.848 6.855 ( 0.370 -2.453 -1.810) 3.071 6.950 ( -3.579 1.472 0.430) 3.894 7.001 ( -0.754 2.308 2.184) 3.266 7.108 ( 2.386 4.269 1.088) 5.010 7.245 ( 3.167 -2.068 -0.581) 3.826 7.360 ( -5.864 -1.517 -2.349) 6.497 7.404 ( 0.711 -0.536 -1.893) 2.092 7.481 ( 3.025 -1.141 -4.817) 5.802 7.691 ( 2.678 -3.029 4.706) 6.204 8.112 ( -5.012 1.682 2.730) 5.950 8.478 ( -4.524 1.157 4.770) 6.675 8.716 ( 3.506 3.262 -1.076) 4.908 8.952 ( 0.349 0.245 2.168) 2.210 9.008 ( -2.244 0.198 3.355) 4.042 9.273 ( 0.827 -0.137 -0.850) 1.194 9.343 ( 0.556 0.104 -1.023) 1.169 9.351 ( -0.559 -1.053 1.506) 1.920 9.429 ( -0.453 2.595 -2.054) 3.340 9.612 ( 2.031 -8.260 0.380) 8.514 9.802 ( -2.138 -2.684 2.689) 4.359 10.058 ( -0.281 4.496 -5.296) 6.953 10.321 ( 0.170 -3.797 -6.138) 7.220 ======================= Grid point 39 (21/63) ======================= q-point: (-0.20 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( -7.883 -5.754 -7.301) 12.188 1.006 ( -1.419 16.493 5.186) 17.348 1.030 ( -13.305 -3.914 -12.544) 18.700 1.161 ( 6.518 10.167 6.425) 13.680 1.507 ( 3.599 1.207 -5.953) 7.061 1.557 ( 2.492 0.542 0.238) 2.561 1.658 ( 6.058 2.527 -1.378) 6.707 1.769 ( -2.925 0.403 2.546) 3.899 1.838 ( 5.510 -5.149 3.589) 8.351 1.916 ( -0.425 -3.018 3.652) 4.756 2.057 ( -0.518 6.517 1.308) 6.667 2.137 ( 0.507 -2.688 2.555) 3.743 2.166 ( 4.196 -5.598 6.730) 9.708 2.210 ( 3.687 -2.580 6.294) 7.737 2.452 ( -5.501 -3.910 -7.833) 10.339 2.502 ( -0.131 -10.361 -4.566) 11.323 2.606 ( 0.826 -0.233 -0.679) 1.094 2.681 ( -2.560 4.677 -10.670) 11.929 2.770 ( 0.687 2.945 -0.063) 3.025 2.857 ( 4.724 -0.522 -5.103) 6.973 2.972 ( -0.395 5.290 -1.645) 5.554 3.035 ( 0.896 1.474 -4.176) 4.518 3.100 ( -1.053 1.485 0.517) 1.893 3.139 ( 0.355 3.783 -1.655) 4.144 3.233 ( 0.334 -0.644 -6.243) 6.285 3.262 ( 1.094 -2.027 -1.406) 2.699 3.408 ( 0.563 -0.689 2.989) 3.119 3.472 ( -2.174 2.043 -3.096) 4.300 3.550 ( 1.875 -5.303 0.867) 5.691 3.642 ( -0.075 1.690 -1.881) 2.530 3.695 ( 2.021 -1.173 5.856) 6.305 3.752 ( -2.589 -2.159 -0.984) 3.512 3.896 ( 3.440 0.184 0.170) 3.449 4.023 ( -1.191 -0.448 -6.827) 6.944 4.122 ( 2.936 5.567 5.955) 8.664 4.176 ( -1.721 5.931 -1.588) 6.377 4.271 ( 4.580 3.323 -5.350) 7.788 4.437 ( -1.052 -3.851 -1.886) 4.415 4.592 ( -0.469 -2.591 -0.051) 2.634 4.659 ( -1.243 4.515 -0.054) 4.683 4.727 ( -3.022 -2.470 5.875) 7.053 4.902 ( -6.942 -1.219 4.640) 8.438 4.955 ( 1.122 -5.697 1.220) 5.934 5.028 ( -6.648 0.231 1.705) 6.867 5.250 ( 1.067 -1.219 0.500) 1.695 5.288 ( -2.186 3.739 3.706) 5.700 5.310 ( -3.037 2.158 3.954) 5.433 5.472 ( 4.905 2.419 3.215) 6.344 5.538 ( 4.674 -6.521 -3.242) 8.653 5.693 ( -2.964 -2.121 -2.375) 4.350 5.747 ( 4.617 -2.255 2.166) 5.577 5.858 ( 5.187 -0.889 -1.450) 5.459 6.041 ( -3.873 2.053 -1.187) 4.542 6.089 ( 1.694 1.113 -0.487) 2.085 6.168 ( -1.226 -0.564 4.892) 5.075 6.226 ( -2.015 3.184 0.132) 3.771 6.321 ( -0.595 -2.138 2.710) 3.502 6.436 ( -1.551 4.533 -4.083) 6.295 6.498 ( 2.089 -3.028 -0.438) 3.705 6.601 ( -0.825 0.575 0.244) 1.035 6.709 ( 2.797 0.508 -1.752) 3.339 6.789 ( 0.725 0.062 -0.173) 0.748 6.852 ( -3.062 0.571 0.740) 3.202 6.895 ( -0.442 1.218 -0.046) 1.297 6.972 ( 0.043 1.559 1.259) 2.005 7.107 ( 2.454 1.993 2.137) 3.816 7.250 ( -5.136 -0.927 0.305) 5.228 7.317 ( -1.258 -0.759 -1.336) 1.986 7.411 ( 2.554 0.007 -3.718) 4.511 7.507 ( 2.877 -1.103 -3.789) 4.884 7.868 ( 4.903 -7.561 6.381) 11.042 8.035 ( -3.876 1.947 0.877) 4.426 8.441 ( -2.216 1.613 4.382) 5.168 8.657 ( -2.060 5.024 1.032) 5.527 8.970 ( 0.479 0.357 2.928) 2.988 8.990 ( -3.065 -0.053 2.240) 3.797 9.279 ( 1.071 0.050 -0.680) 1.269 9.353 ( 0.297 -0.988 -0.654) 1.221 9.376 ( -0.555 -0.423 0.065) 0.701 9.398 ( -0.039 -0.377 1.652) 1.695 9.768 ( 0.727 -4.177 1.012) 4.359 9.841 ( 3.851 -1.157 -1.062) 4.159 9.998 ( 1.756 -3.369 -2.855) 4.753 10.281 ( -4.330 -0.010 -8.491) 9.532 ======================= Grid point 43 (22/63) ======================= q-point: (-0.40 -0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -12.658 0.000 -19.955) 23.631 1.084 ( -15.578 0.000 0.518) 15.586 1.318 ( 2.044 -0.000 0.939) 2.250 1.379 ( -16.437 0.000 -2.759) 16.667 1.444 ( 2.444 -0.000 11.865) 12.114 1.470 ( -2.200 0.000 -0.845) 2.357 1.689 ( 2.874 -0.000 2.280) 3.669 1.730 ( 4.845 -0.000 2.067) 5.268 1.776 ( 3.307 -0.000 -2.860) 4.372 1.852 ( 2.421 -0.000 2.481) 3.467 1.956 ( 13.109 -0.000 4.890) 13.992 2.068 ( 1.304 -0.000 -0.710) 1.485 2.097 ( 4.247 -0.000 6.225) 7.536 2.169 ( 0.301 -0.000 -2.374) 2.393 2.334 ( 7.529 -0.000 7.736) 10.795 2.461 ( -2.480 0.000 -4.020) 4.724 2.629 ( 5.577 -0.000 -2.011) 5.929 2.723 ( -2.242 0.000 -15.424) 15.586 2.903 ( 2.047 -0.000 -7.785) 8.050 2.927 ( -0.675 0.000 -8.176) 8.204 3.021 ( 1.271 -0.000 -1.789) 2.194 3.071 ( -0.289 0.000 2.735) 2.750 3.096 ( -5.896 0.000 -12.262) 13.606 3.199 ( -2.872 0.000 -2.114) 3.566 3.217 ( -4.352 0.000 -5.260) 6.827 3.254 ( -1.269 0.000 0.531) 1.375 3.326 ( 8.044 -0.000 3.763) 8.881 3.517 ( 7.674 -0.000 -4.114) 8.707 3.608 ( -3.050 0.000 1.624) 3.455 3.661 ( 5.633 -0.000 9.594) 11.125 3.689 ( -0.728 0.000 7.449) 7.485 3.767 ( 3.689 -0.000 -3.579) 5.140 3.811 ( -5.616 0.000 -6.681) 8.728 4.014 ( -2.322 0.000 -5.328) 5.812 4.220 ( -0.925 0.000 -4.758) 4.847 4.255 ( 1.176 -0.000 5.201) 5.332 4.313 ( -6.259 0.000 -1.245) 6.382 4.506 ( -1.657 0.000 -2.430) 2.941 4.587 ( 5.338 -0.000 -2.974) 6.111 4.696 ( 3.881 -0.000 3.959) 5.544 4.774 ( -0.551 0.000 6.176) 6.201 4.779 ( 3.518 -0.000 2.555) 4.348 4.892 ( -7.244 0.000 -0.010) 7.244 4.919 ( -8.256 0.000 4.406) 9.359 5.220 ( -4.365 0.000 2.625) 5.094 5.306 ( -0.024 0.000 -0.174) 0.176 5.373 ( -7.018 0.000 2.153) 7.341 5.444 ( 4.097 -0.000 2.715) 4.915 5.513 ( 5.155 -0.000 4.357) 6.750 5.674 ( 7.365 -0.000 3.352) 8.093 5.696 ( 5.254 -0.000 0.941) 5.338 5.802 ( 1.241 -0.000 -4.401) 4.572 6.071 ( 0.986 -0.000 2.629) 2.808 6.103 ( -3.485 0.000 -3.568) 4.987 6.152 ( -0.488 0.000 -2.169) 2.223 6.277 ( -3.595 0.000 0.836) 3.691 6.309 ( -0.502 0.000 6.581) 6.600 6.400 ( 0.805 -0.000 -1.465) 1.671 6.551 ( 1.504 -0.000 1.165) 1.903 6.607 ( -0.485 0.000 -8.022) 8.037 6.767 ( -3.514 0.000 2.620) 4.383 6.786 ( -0.244 0.000 2.653) 2.664 6.828 ( 2.943 -0.000 -3.109) 4.281 6.938 ( 0.112 -0.000 -0.596) 0.607 7.018 ( -1.590 0.000 2.166) 2.687 7.194 ( 1.615 -0.000 4.452) 4.736 7.220 ( -7.120 0.000 0.108) 7.121 7.271 ( 2.418 -0.000 -4.712) 5.296 7.406 ( 1.830 -0.000 -1.409) 2.309 7.473 ( 2.571 -0.000 -5.756) 6.304 7.740 ( 4.043 -0.000 4.972) 6.409 8.072 ( -4.693 0.000 -0.025) 4.693 8.472 ( -1.967 0.000 3.350) 3.884 8.787 ( 3.055 -0.000 0.411) 3.083 8.979 ( 0.641 -0.000 2.904) 2.973 9.013 ( -2.601 0.000 6.337) 6.850 9.295 ( 2.824 -0.000 -0.558) 2.878 9.323 ( -0.586 0.000 -2.566) 2.632 9.355 ( -0.138 0.000 2.287) 2.291 9.447 ( 2.191 -0.000 -8.802) 9.071 9.540 ( -0.759 0.000 5.005) 5.062 9.773 ( -1.864 0.000 3.036) 3.562 10.038 ( -2.183 0.000 -7.642) 7.947 10.240 ( -1.764 0.000 -5.240) 5.529 ======================= Grid point 44 (23/63) ======================= q-point: (-0.20 -0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( -12.062 -7.614 -15.569) 21.115 0.784 ( -19.644 3.152 0.393) 19.899 1.241 ( 0.250 9.454 3.321) 10.024 1.312 ( -13.961 -14.091 2.306) 19.970 1.388 ( 2.010 3.195 1.703) 4.141 1.634 ( 3.166 5.868 -4.878) 8.262 1.674 ( -0.266 -6.365 6.066) 8.797 1.774 ( 3.003 1.964 1.861) 4.042 1.836 ( 2.432 -3.136 4.995) 6.380 1.912 ( -0.720 0.650 5.264) 5.352 2.088 ( 0.543 -1.824 1.231) 2.266 2.147 ( 7.863 -0.325 3.817) 8.747 2.205 ( 3.840 -2.542 -0.032) 4.605 2.282 ( -1.324 0.337 -4.215) 4.431 2.343 ( -1.716 2.301 -5.580) 6.275 2.379 ( 9.613 -3.334 -9.227) 13.736 2.651 ( -1.056 4.340 0.195) 4.470 2.694 ( 5.802 -0.550 -1.139) 5.939 2.850 ( 3.424 1.629 -7.365) 8.284 2.868 ( 3.020 1.035 -3.570) 4.789 2.970 ( -4.645 -2.413 -5.271) 7.428 3.012 ( -1.342 -0.494 -2.945) 3.274 3.056 ( -1.134 2.186 -4.782) 5.379 3.139 ( -1.188 -0.655 -4.907) 5.091 3.189 ( -0.840 0.711 3.496) 3.665 3.241 ( 2.067 -1.657 -3.614) 4.481 3.446 ( -2.102 2.468 -4.624) 5.647 3.457 ( 1.995 0.722 1.648) 2.686 3.581 ( 0.448 3.971 6.847) 7.928 3.688 ( -2.279 2.031 -0.324) 3.069 3.699 ( 4.739 2.775 -2.308) 5.957 3.782 ( 2.867 -0.775 5.110) 5.911 3.903 ( 3.384 -4.827 -2.170) 6.282 3.952 ( -2.492 -1.201 -0.038) 2.766 4.213 ( -0.838 -1.880 -4.668) 5.102 4.227 ( -0.511 1.585 -2.118) 2.694 4.286 ( -2.590 -4.047 -3.162) 5.752 4.390 ( -0.171 8.954 1.483) 9.078 4.601 ( 0.918 6.700 -0.485) 6.780 4.676 ( 1.297 1.216 -2.164) 2.800 4.742 ( -3.235 3.037 2.967) 5.338 4.839 ( -0.753 -2.175 4.109) 4.710 4.930 ( -2.814 -5.094 6.597) 8.797 4.975 ( 4.501 -4.469 2.839) 6.949 5.193 ( -4.849 -2.536 1.069) 5.576 5.252 ( -7.938 -0.522 0.879) 8.004 5.331 ( -0.945 1.426 4.409) 4.729 5.486 ( -1.506 -2.446 2.941) 4.111 5.644 ( 10.631 1.100 1.988) 10.871 5.703 ( 3.966 3.531 -1.278) 5.462 5.769 ( 2.335 -0.278 -0.607) 2.429 5.892 ( 5.984 -4.154 0.735) 7.322 5.996 ( -5.765 1.923 -3.627) 7.077 6.076 ( -2.757 -0.510 -2.134) 3.524 6.147 ( -1.990 -2.253 3.447) 4.574 6.222 ( -2.836 0.550 -0.846) 3.010 6.332 ( -1.161 2.242 1.586) 2.982 6.420 ( -0.140 -1.736 -0.554) 1.828 6.512 ( 1.835 1.992 -4.540) 5.286 6.583 ( -0.231 -0.488 -1.827) 1.905 6.729 ( -3.172 0.866 0.301) 3.301 6.786 ( -0.612 -0.122 2.133) 2.222 6.848 ( 2.661 1.405 -1.331) 3.291 6.920 ( -0.524 1.911 -0.287) 2.003 7.007 ( 0.316 1.012 1.136) 1.554 7.128 ( -6.898 0.406 0.705) 6.946 7.215 ( 2.416 2.138 1.736) 3.664 7.306 ( 1.236 -1.595 1.873) 2.754 7.426 ( 3.093 0.160 -3.207) 4.458 7.488 ( 2.561 -2.667 -4.098) 5.519 7.856 ( 2.417 -4.646 4.959) 7.212 7.989 ( -5.397 0.840 -3.425) 6.447 8.480 ( 1.320 0.717 2.832) 3.206 8.747 ( -1.898 9.521 3.569) 10.343 8.979 ( -4.032 2.938 4.247) 6.552 9.002 ( 0.293 0.396 3.220) 3.257 9.290 ( 0.896 0.056 -0.695) 1.135 9.348 ( 0.659 -0.280 -0.482) 0.863 9.380 ( 1.154 0.108 0.766) 1.389 9.404 ( 0.582 -0.352 -0.483) 0.834 9.708 ( 3.924 -9.879 1.281) 10.706 9.818 ( 3.225 -8.478 -0.067) 9.070 9.942 ( -1.903 0.485 -5.972) 6.286 10.182 ( -3.352 -0.232 -5.526) 6.467 ======================= Grid point 49 (24/63) ======================= q-point: (-0.20 -0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.335 ( -10.808 0.000 9.028) 14.083 0.598 ( -21.860 0.000 4.213) 22.262 0.857 ( -27.394 0.000 10.217) 29.237 1.363 ( 1.986 -0.000 0.292) 2.007 1.407 ( 0.193 -0.000 -2.751) 2.758 1.687 ( 3.198 -0.000 5.420) 6.293 1.724 ( -0.748 0.000 -1.937) 2.077 1.797 ( -1.656 0.000 2.479) 2.981 1.904 ( 4.961 -0.000 3.939) 6.335 1.937 ( -1.814 0.000 2.473) 3.067 2.091 ( 1.911 -0.000 -3.374) 3.878 2.150 ( 0.733 -0.000 -10.266) 10.292 2.186 ( 0.469 -0.000 -6.890) 6.906 2.316 ( -0.255 0.000 2.943) 2.954 2.421 ( 11.771 -0.000 6.230) 13.319 2.430 ( 13.491 -0.000 -8.798) 16.106 2.653 ( -5.143 0.000 -6.779) 8.509 2.696 ( 0.292 -0.000 -3.439) 3.451 2.832 ( 0.521 -0.000 -4.271) 4.303 2.849 ( -6.099 0.000 -7.029) 9.307 2.892 ( -2.079 0.000 -5.248) 5.645 2.899 ( 1.908 -0.000 -0.036) 1.908 3.048 ( 0.519 -0.000 -5.430) 5.454 3.151 ( 2.195 -0.000 -5.206) 5.650 3.257 ( 9.902 -0.000 5.402) 11.279 3.258 ( 2.774 -0.000 1.710) 3.259 3.395 ( -3.491 0.000 -5.854) 6.816 3.478 ( -2.419 0.000 -2.322) 3.354 3.669 ( -1.902 0.000 1.807) 2.624 3.676 ( 0.172 -0.000 7.682) 7.684 3.839 ( -5.678 0.000 -4.793) 7.431 3.842 ( 1.256 -0.000 7.990) 8.088 3.855 ( 2.444 -0.000 5.062) 5.622 3.877 ( 5.708 -0.000 -2.778) 6.348 4.102 ( -3.079 0.000 -2.362) 3.881 4.159 ( -7.097 0.000 -5.684) 9.093 4.232 ( 7.773 -0.000 -9.490) 12.267 4.579 ( 2.862 -0.000 8.140) 8.628 4.639 ( -1.775 0.000 -3.454) 3.884 4.718 ( 6.321 -0.000 -3.436) 7.195 4.774 ( -1.348 0.000 4.374) 4.577 4.800 ( -2.978 0.000 7.584) 8.148 4.965 ( 0.853 -0.000 8.558) 8.600 4.982 ( 4.855 -0.000 -4.254) 6.454 5.114 ( -5.637 0.000 1.574) 5.852 5.137 ( -7.160 0.000 1.161) 7.254 5.388 ( 2.241 -0.000 5.461) 5.903 5.464 ( -2.939 0.000 3.373) 4.474 5.742 ( -1.234 0.000 -5.993) 6.119 5.754 ( 4.166 -0.000 1.523) 4.436 5.849 ( 3.363 -0.000 -0.137) 3.366 5.876 ( -2.994 0.000 -0.568) 3.048 5.941 ( 3.385 -0.000 1.480) 3.694 5.996 ( -4.164 0.000 -6.407) 7.641 6.140 ( 0.545 -0.000 4.689) 4.721 6.178 ( -2.555 0.000 -0.786) 2.673 6.308 ( -6.267 0.000 -9.130) 11.074 6.414 ( 1.618 -0.000 4.036) 4.349 6.517 ( 4.114 -0.000 -5.769) 7.086 6.579 ( -0.424 0.000 1.189) 1.262 6.696 ( -3.201 0.000 0.860) 3.314 6.761 ( -4.754 0.000 1.631) 5.026 6.910 ( -0.382 0.000 -2.654) 2.681 6.921 ( 2.882 -0.000 1.360) 3.187 7.018 ( 0.547 -0.000 -1.793) 1.874 7.076 ( -2.795 0.000 0.299) 2.811 7.260 ( 0.305 -0.000 -1.647) 1.675 7.383 ( 5.695 -0.000 13.935) 15.054 7.435 ( 0.647 -0.000 -5.108) 5.149 7.463 ( 4.005 -0.000 -2.778) 4.875 7.871 ( -8.453 0.000 -7.796) 11.499 7.872 ( 0.624 -0.000 4.677) 4.718 8.527 ( 2.526 -0.000 2.172) 3.331 8.880 ( 3.029 -0.000 0.709) 3.111 9.025 ( -0.313 0.000 2.798) 2.815 9.166 ( 4.692 -0.000 17.418) 18.039 9.280 ( 0.072 -0.000 -2.771) 2.771 9.295 ( -0.854 0.000 -6.486) 6.542 9.380 ( -0.617 0.000 3.244) 3.302 9.413 ( 2.388 -0.000 -0.098) 2.390 9.568 ( -1.488 0.000 2.391) 2.817 9.748 ( -1.647 0.000 -0.423) 1.700 9.894 ( -1.555 0.000 -3.708) 4.021 10.117 ( -1.851 0.000 -4.166) 4.559 ======================= Grid point 50 (25/63) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( -5.586 0.000 14.207) 15.265 0.768 ( 1.521 -0.000 17.075) 17.143 1.210 ( -0.921 0.000 -10.547) 10.587 1.237 ( -2.880 0.000 2.634) 3.903 1.413 ( 0.085 -0.000 0.697) 0.702 1.547 ( 0.840 -0.000 22.078) 22.094 1.628 ( -3.777 0.000 -6.964) 7.922 1.736 ( -0.230 0.000 -9.250) 9.253 1.812 ( 0.950 -0.000 5.045) 5.134 1.898 ( -1.012 0.000 -0.287) 1.052 1.996 ( 1.384 -0.000 -0.662) 1.534 2.074 ( 5.041 -0.000 -7.614) 9.131 2.278 ( -7.435 0.000 -9.748) 12.260 2.289 ( -0.748 0.000 0.977) 1.230 2.335 ( 4.011 -0.000 -1.169) 4.177 2.393 ( -8.712 0.000 -10.473) 13.623 2.399 ( 3.237 -0.000 -3.209) 4.559 2.694 ( 9.054 -0.000 -0.845) 9.093 2.759 ( -1.311 0.000 0.742) 1.507 2.790 ( 4.205 -0.000 1.134) 4.356 2.905 ( 3.171 -0.000 -3.726) 4.893 2.950 ( 12.128 -0.000 -5.043) 13.135 3.112 ( 3.735 -0.000 -0.297) 3.747 3.140 ( -0.035 0.000 2.670) 2.670 3.230 ( -0.592 0.000 -0.724) 0.936 3.350 ( 8.392 -0.000 -3.703) 9.172 3.363 ( 1.197 -0.000 -2.781) 3.027 3.481 ( -4.504 0.000 -0.584) 4.542 3.580 ( -1.852 0.000 -5.907) 6.190 3.590 ( 0.774 -0.000 6.755) 6.799 3.757 ( -2.680 0.000 -1.557) 3.100 3.792 ( 0.736 -0.000 -0.076) 0.740 3.908 ( 2.273 -0.000 2.400) 3.306 4.121 ( -3.706 0.000 8.875) 9.618 4.181 ( -14.337 0.000 7.833) 16.338 4.223 ( 7.370 -0.000 -6.029) 9.522 4.299 ( 3.966 -0.000 3.576) 5.340 4.435 ( 4.156 -0.000 -8.425) 9.394 4.672 ( 0.392 -0.000 2.587) 2.616 4.691 ( -4.738 0.000 3.049) 5.634 4.799 ( 4.274 -0.000 -3.122) 5.292 4.960 ( 5.763 -0.000 2.925) 6.462 5.004 ( -1.449 0.000 -2.647) 3.018 5.055 ( -4.249 0.000 4.270) 6.023 5.203 ( -3.810 0.000 6.544) 7.572 5.207 ( -3.484 0.000 0.238) 3.492 5.311 ( -4.461 0.000 1.030) 4.579 5.432 ( -6.358 0.000 -5.639) 8.498 5.497 ( -2.667 0.000 -0.983) 2.842 5.744 ( -0.694 0.000 -5.467) 5.511 5.792 ( 5.501 -0.000 4.413) 7.053 5.866 ( -1.915 0.000 -4.663) 5.041 5.965 ( 2.588 -0.000 3.024) 3.980 5.998 ( 1.734 -0.000 -1.193) 2.104 6.143 ( -3.088 0.000 2.714) 4.111 6.155 ( 10.411 -0.000 -3.327) 10.930 6.324 ( -3.472 0.000 -0.847) 3.574 6.490 ( -1.777 0.000 6.219) 6.468 6.543 ( -0.971 0.000 -3.164) 3.309 6.636 ( 0.372 -0.000 2.599) 2.625 6.659 ( 3.209 -0.000 0.067) 3.210 6.757 ( -0.354 0.000 2.608) 2.631 6.854 ( 1.499 -0.000 -0.212) 1.514 6.920 ( -1.506 0.000 -0.741) 1.678 6.954 ( -1.845 0.000 -2.891) 3.430 7.075 ( 3.136 -0.000 0.253) 3.146 7.292 ( -2.719 0.000 -0.399) 2.748 7.315 ( 1.945 -0.000 1.820) 2.664 7.398 ( -5.263 0.000 -0.611) 5.299 7.459 ( 1.688 -0.000 -2.161) 2.742 7.983 ( -4.228 0.000 3.089) 5.236 8.085 ( 14.281 -0.000 -0.362) 14.286 8.636 ( 0.046 -0.000 3.977) 3.977 8.748 ( -13.742 0.000 2.559) 13.978 9.002 ( 0.952 -0.000 3.411) 3.541 9.067 ( -2.991 0.000 2.198) 3.712 9.238 ( 1.446 -0.000 -0.288) 1.474 9.385 ( -1.817 0.000 -2.644) 3.209 9.413 ( -0.138 0.000 -1.990) 1.995 9.578 ( -3.152 0.000 6.000) 6.778 9.613 ( -1.063 0.000 -5.250) 5.357 9.943 ( 2.824 -0.000 1.222) 3.077 9.945 ( 4.695 -0.000 -1.642) 4.974 10.045 ( 5.258 -0.000 -2.981) 6.044 ======================= Grid point 51 (26/63) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 8.449 -7.650 13.572) 17.723 0.978 ( 5.606 -3.911 8.148) 10.635 1.097 ( -1.093 5.247 0.650) 5.399 1.190 ( -1.881 7.223 2.730) 7.947 1.415 ( 2.413 0.507 -1.326) 2.800 1.563 ( 1.793 0.351 -5.491) 5.787 1.624 ( 1.269 -1.172 0.396) 1.772 1.669 ( -3.438 -4.582 -7.707) 9.603 1.862 ( -2.619 -0.846 1.988) 3.395 1.946 ( -0.914 -4.268 0.740) 4.427 2.027 ( 3.989 0.443 2.659) 4.815 2.054 ( -0.865 -1.045 -7.123) 7.251 2.115 ( -6.137 0.922 -8.269) 10.339 2.249 ( -3.535 2.393 -1.410) 4.495 2.303 ( -4.957 -6.482 -2.911) 8.664 2.436 ( 7.448 -0.081 2.496) 7.855 2.471 ( 0.575 -10.297 2.614) 10.639 2.686 ( -3.457 -0.312 -5.357) 6.383 2.819 ( 5.203 -2.643 -2.824) 6.483 2.862 ( 4.589 -0.626 -2.776) 5.399 2.901 ( 5.799 5.321 0.749) 7.905 3.029 ( 8.428 5.833 -3.390) 10.796 3.108 ( 0.092 1.090 0.795) 1.352 3.149 ( 0.483 1.569 -1.932) 2.536 3.249 ( 6.319 0.650 0.096) 6.353 3.307 ( -1.483 1.009 0.788) 1.959 3.397 ( 3.151 2.706 -4.785) 6.336 3.453 ( -1.297 0.445 -3.850) 4.087 3.587 ( 3.816 1.060 4.891) 6.294 3.696 ( -5.151 -1.469 -6.717) 8.591 3.710 ( 2.697 -3.291 2.126) 4.757 3.767 ( -3.130 4.639 1.516) 5.798 3.933 ( -5.726 5.078 4.629) 8.944 3.972 ( 1.746 -0.293 4.754) 5.073 4.111 ( -5.000 1.289 2.677) 5.816 4.181 ( 3.984 6.115 -3.793) 8.225 4.344 ( 2.377 2.385 1.812) 3.824 4.439 ( 0.987 -1.589 -5.045) 5.380 4.614 ( -4.878 10.365 -5.195) 12.578 4.680 ( 2.266 4.288 -2.486) 5.450 4.780 ( 0.859 -4.000 4.781) 6.293 4.963 ( -6.028 -3.028 1.027) 6.823 5.007 ( -2.014 1.361 2.556) 3.528 5.096 ( -10.823 -5.967 4.722) 13.231 5.170 ( -2.402 -7.393 0.233) 7.777 5.259 ( 4.192 -3.785 3.777) 6.795 5.327 ( -0.204 1.096 3.280) 3.464 5.387 ( 0.120 -3.330 -0.217) 3.339 5.539 ( 8.309 -0.306 0.428) 8.326 5.707 ( -0.580 -1.382 -5.465) 5.667 5.748 ( -3.422 0.501 -3.714) 5.075 5.855 ( -3.052 1.396 2.233) 4.031 6.010 ( -0.360 -0.769 1.128) 1.412 6.064 ( 5.431 -0.960 1.551) 5.729 6.149 ( -3.822 -3.158 5.029) 7.062 6.233 ( -4.600 0.877 -4.859) 6.748 6.261 ( 10.329 0.552 -4.609) 11.324 6.481 ( -2.405 2.639 5.193) 6.302 6.529 ( -0.817 -1.783 -1.973) 2.782 6.630 ( -0.440 1.890 1.916) 2.727 6.700 ( -0.128 -1.247 -0.760) 1.466 6.763 ( 2.088 1.970 1.482) 3.231 6.884 ( -0.963 0.678 -1.273) 1.735 6.904 ( 1.867 -0.841 1.919) 2.806 6.928 ( 0.921 -0.013 -2.391) 2.562 7.108 ( 2.922 0.071 -0.715) 3.009 7.252 ( -4.361 -0.033 0.713) 4.419 7.343 ( -0.594 0.846 0.022) 1.034 7.359 ( 1.193 -0.385 1.275) 1.788 7.462 ( 1.432 -0.075 -2.545) 2.921 7.939 ( -6.973 -1.661 0.822) 7.215 8.208 ( 11.300 4.737 -2.142) 12.438 8.585 ( -10.590 2.483 6.590) 12.718 8.663 ( -0.807 0.063 5.654) 5.711 9.029 ( -0.725 0.113 3.097) 3.183 9.038 ( -3.064 -0.057 2.178) 3.760 9.264 ( 1.801 -0.482 0.616) 1.963 9.335 ( -2.048 0.571 -2.603) 3.360 9.390 ( -0.202 0.943 -1.194) 1.535 9.521 ( -2.363 2.501 1.492) 3.750 9.626 ( -1.653 -3.708 -0.765) 4.132 9.949 ( 1.297 1.756 -0.895) 2.360 10.007 ( 0.735 -3.100 -3.414) 4.670 10.092 ( 5.977 1.018 -2.869) 6.707 ======================= Grid point 52 (27/63) ======================= q-point: (-0.60 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( -2.463 9.688 2.932) 10.418 1.029 ( 0.451 9.889 9.191) 13.508 1.091 ( 6.121 -5.854 9.631) 12.826 1.220 ( 1.023 -4.741 4.924) 6.911 1.427 ( 5.591 1.279 -1.022) 5.826 1.562 ( 1.032 -1.615 -6.870) 7.132 1.615 ( -1.440 -1.532 -7.275) 7.573 1.742 ( -2.698 -0.140 -12.067) 12.366 1.808 ( 1.416 -8.720 -2.105) 9.081 1.956 ( -4.019 -5.332 -1.730) 6.898 1.982 ( -6.259 -4.168 -1.276) 7.627 2.077 ( 3.395 1.564 0.134) 3.740 2.098 ( 2.759 0.160 0.622) 2.833 2.212 ( -4.783 -4.278 3.484) 7.301 2.310 ( 0.277 -1.596 -3.645) 3.988 2.537 ( 3.175 0.698 1.455) 3.561 2.639 ( 4.994 -0.851 -0.395) 5.081 2.700 ( -0.515 -6.789 -3.919) 7.855 2.801 ( 3.337 7.478 -4.304) 9.251 2.851 ( 5.006 1.518 -1.582) 5.465 2.946 ( 1.321 -0.024 2.963) 3.244 2.990 ( 1.892 8.609 0.590) 8.834 3.063 ( -3.013 1.482 -1.237) 3.579 3.096 ( 1.654 3.809 -2.748) 4.980 3.244 ( -1.649 5.574 -0.846) 5.874 3.298 ( -2.186 -1.573 2.710) 3.820 3.374 ( 3.611 3.654 -3.278) 6.094 3.452 ( -1.970 -5.824 -1.035) 6.235 3.491 ( -1.003 1.411 -3.590) 3.985 3.646 ( -1.092 3.863 2.793) 4.890 3.740 ( -2.220 -0.713 -2.391) 3.340 3.754 ( 6.365 -1.827 0.133) 6.623 3.897 ( 1.519 1.985 -1.945) 3.167 4.018 ( -1.589 3.812 -2.808) 4.994 4.079 ( 10.280 -0.523 2.332) 10.554 4.210 ( 0.634 -1.051 3.002) 3.243 4.351 ( 1.808 2.196 -1.616) 3.272 4.379 ( -5.450 3.699 -1.988) 6.880 4.429 ( -3.127 -1.818 -1.387) 3.874 4.566 ( -2.016 4.971 -4.352) 6.908 4.815 ( -3.669 1.291 1.881) 4.321 4.950 ( 1.530 -0.095 2.275) 2.743 5.032 ( 0.285 -1.982 4.819) 5.219 5.113 ( -6.314 -5.524 6.470) 10.594 5.195 ( -5.751 -4.361 -1.677) 7.410 5.348 ( 2.135 -0.577 3.646) 4.264 5.373 ( -0.362 1.097 3.624) 3.803 5.475 ( 3.542 -4.683 1.524) 6.066 5.658 ( 8.253 2.353 -1.637) 8.737 5.679 ( -3.137 -0.311 1.067) 3.328 5.739 ( -0.490 -5.633 -4.020) 6.938 5.792 ( -2.512 0.396 1.143) 2.788 6.004 ( -3.040 -0.216 1.133) 3.252 6.090 ( -1.751 1.850 -1.215) 2.822 6.166 ( -1.175 -2.847 -0.966) 3.228 6.202 ( -1.480 -2.587 4.171) 5.126 6.329 ( 6.935 3.952 -2.902) 8.493 6.442 ( -1.037 1.685 2.168) 2.935 6.524 ( -1.670 -1.142 -1.812) 2.716 6.601 ( -2.027 1.183 1.686) 2.889 6.688 ( 1.152 1.723 -0.785) 2.216 6.785 ( 1.371 -1.087 -0.120) 1.754 6.833 ( -2.863 1.126 -0.338) 3.095 6.916 ( 1.939 1.565 -0.363) 2.518 6.980 ( 2.842 -1.570 0.612) 3.304 7.143 ( 1.597 -0.125 -0.092) 1.604 7.189 ( -4.072 0.223 0.060) 4.079 7.325 ( 0.830 0.381 -1.309) 1.596 7.399 ( 0.978 -0.327 1.727) 2.012 7.475 ( 3.081 -0.392 -1.744) 3.562 7.865 ( -8.322 -1.748 -1.542) 8.643 8.185 ( 2.899 8.278 -0.130) 8.772 8.537 ( -1.452 -0.270 5.364) 5.564 8.689 ( -2.440 -1.022 6.939) 7.427 8.994 ( -3.804 -0.024 1.539) 4.104 9.056 ( -0.356 -0.406 3.274) 3.318 9.288 ( -0.508 0.236 -1.130) 1.262 9.307 ( 1.261 -0.806 -0.321) 1.530 9.380 ( -0.143 -0.307 1.335) 1.377 9.473 ( -2.177 0.610 -0.357) 2.289 9.670 ( -0.064 -4.018 0.293) 4.029 9.902 ( -0.951 3.062 -2.267) 3.927 10.016 ( 0.205 -1.116 -4.520) 4.660 10.122 ( 7.616 3.691 -3.953) 9.341 ======================= Grid point 53 (28/63) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( -6.571 7.986 4.300) 11.200 0.963 ( -1.668 8.809 20.988) 22.823 1.246 ( -2.082 -4.643 -0.871) 5.162 1.333 ( 3.427 -3.008 6.680) 8.088 1.463 ( -4.926 2.673 -12.832) 14.003 1.511 ( -2.387 -1.213 -4.726) 5.432 1.531 ( 2.980 0.152 2.003) 3.594 1.669 ( -3.096 -4.749 -10.138) 11.616 1.887 ( -1.644 -0.067 2.439) 2.942 1.961 ( -3.238 -2.112 -1.656) 4.206 2.003 ( 0.440 0.513 2.501) 2.591 2.065 ( -1.395 -0.750 -1.373) 2.096 2.194 ( 7.377 -0.387 -1.175) 7.479 2.230 ( 0.260 -1.018 3.023) 3.200 2.379 ( 4.126 -5.107 0.622) 6.595 2.499 ( 3.121 3.451 -0.826) 4.726 2.640 ( 1.064 3.249 -5.123) 6.159 2.732 ( 3.408 -0.899 -5.961) 6.925 2.773 ( 1.711 -1.001 -0.507) 2.046 2.831 ( 2.524 6.976 -7.902) 10.839 2.872 ( -2.638 4.041 -5.832) 7.569 2.890 ( -0.326 4.928 -1.030) 5.045 3.021 ( -0.457 3.656 -2.969) 4.732 3.061 ( -0.916 0.001 4.220) 4.318 3.149 ( -2.608 -0.747 -3.313) 4.282 3.316 ( 3.405 2.828 1.645) 4.722 3.375 ( 3.265 -2.913 -1.535) 4.637 3.483 ( 3.877 0.909 4.137) 5.742 3.585 ( 0.982 -7.122 -1.908) 7.438 3.636 ( 0.142 -2.128 0.648) 2.228 3.697 ( -2.789 0.359 -0.622) 2.880 3.825 ( 1.374 -0.479 1.867) 2.367 3.910 ( -2.378 -1.246 -3.224) 4.195 4.000 ( 10.512 -1.144 -4.040) 11.320 4.129 ( -8.315 0.849 -0.702) 8.388 4.204 ( 1.498 2.997 0.992) 3.494 4.268 ( 2.761 4.664 0.143) 5.422 4.342 ( -6.402 -2.833 -3.043) 7.633 4.430 ( 4.743 -5.356 0.943) 7.216 4.573 ( 0.048 -4.155 3.876) 5.682 4.794 ( 1.164 0.453 0.503) 1.346 4.974 ( 1.379 1.513 3.307) 3.890 5.090 ( 3.620 1.737 3.670) 5.440 5.150 ( -4.323 -2.206 -0.017) 4.853 5.166 ( -2.169 0.399 1.508) 2.672 5.291 ( -4.498 4.697 3.114) 7.211 5.443 ( 3.827 -2.323 3.982) 5.991 5.546 ( -5.338 -2.186 0.557) 5.795 5.618 ( -5.370 1.740 2.302) 6.097 5.676 ( -0.135 -3.600 -0.467) 3.633 5.766 ( 0.717 -2.447 -4.661) 5.313 5.848 ( 4.940 2.359 2.168) 5.888 5.966 ( -3.559 -0.537 1.204) 3.795 6.048 ( 0.552 -0.180 -3.509) 3.557 6.160 ( -1.682 2.329 -0.630) 2.941 6.244 ( -1.365 1.131 5.420) 5.703 6.281 ( 2.342 4.119 -1.185) 4.884 6.425 ( -0.122 0.257 -1.037) 1.076 6.531 ( 0.355 -1.698 0.501) 1.806 6.584 ( -1.485 -0.738 2.047) 2.635 6.668 ( 0.235 1.812 -0.932) 2.051 6.786 ( -3.883 -1.337 0.690) 4.165 6.840 ( 3.940 -1.151 -1.914) 4.529 6.915 ( 0.401 0.297 1.113) 1.220 7.013 ( 0.533 1.261 -0.246) 1.391 7.082 ( -5.405 0.540 0.792) 5.489 7.226 ( 3.511 -1.339 -0.046) 3.758 7.340 ( 2.615 -0.742 -2.571) 3.742 7.404 ( -0.132 -0.240 -0.927) 0.966 7.534 ( 2.435 -1.222 1.594) 3.157 7.779 ( -4.592 -1.145 -1.227) 4.889 8.088 ( -0.317 6.758 2.258) 7.132 8.576 ( 1.430 -0.130 3.217) 3.523 8.735 ( -4.901 -5.376 7.714) 10.603 8.967 ( -2.363 -0.281 1.557) 2.844 9.076 ( -0.910 -0.582 2.946) 3.138 9.264 ( -0.479 0.562 -1.704) 1.857 9.348 ( 1.705 -2.070 -0.385) 2.709 9.415 ( 0.180 -1.355 4.115) 4.336 9.445 ( -1.495 -0.733 -0.792) 1.844 9.738 ( 1.910 -1.804 0.424) 2.662 9.826 ( -1.670 1.341 -2.358) 3.185 9.999 ( 1.342 0.184 -4.917) 5.100 10.108 ( 8.798 8.346 -6.094) 13.572 ======================= Grid point 54 (29/63) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( -7.492 2.259 10.086) 12.766 0.865 ( -10.079 12.776 13.799) 21.335 1.270 ( -4.400 -5.901 -7.006) 10.162 1.313 ( -8.096 0.049 -7.295) 10.897 1.361 ( 0.670 2.065 7.350) 7.664 1.421 ( -0.593 4.921 18.911) 19.549 1.665 ( 5.129 -3.875 -1.295) 6.558 1.676 ( -0.008 -5.201 -3.834) 6.462 1.873 ( -2.094 1.179 -1.614) 2.895 1.920 ( -2.351 0.434 0.042) 2.391 1.978 ( 2.310 -1.228 -6.093) 6.631 2.079 ( 1.347 1.685 -2.920) 3.630 2.276 ( 4.724 -1.924 -4.823) 7.020 2.310 ( 4.829 -1.732 1.800) 5.438 2.392 ( -1.112 4.424 -2.737) 5.320 2.444 ( -3.382 2.879 -7.983) 9.136 2.565 ( -1.878 0.947 -4.323) 4.808 2.664 ( 0.571 7.563 -1.865) 7.810 2.735 ( 4.225 5.780 -1.415) 7.297 2.774 ( 4.067 3.783 2.177) 5.966 2.833 ( 9.134 0.422 -9.534) 13.210 2.930 ( -2.052 -7.706 -1.008) 8.038 2.969 ( 1.090 -4.421 0.892) 4.640 3.104 ( 1.829 -0.970 3.110) 3.736 3.181 ( 1.519 -5.723 -2.512) 6.432 3.306 ( 3.457 4.414 -3.820) 6.784 3.413 ( 2.706 1.150 -3.983) 4.951 3.538 ( 1.391 1.813 6.909) 7.277 3.596 ( -6.212 0.205 -2.044) 6.543 3.649 ( -2.139 -0.857 -4.169) 4.763 3.754 ( 3.413 -4.903 0.833) 6.032 3.819 ( -3.317 0.761 -0.345) 3.421 3.872 ( 1.606 1.892 -1.764) 3.045 4.063 ( 1.792 -3.794 -0.992) 4.312 4.090 ( -3.867 -0.770 4.652) 6.098 4.179 ( 4.160 -3.858 3.951) 6.914 4.300 ( -1.341 2.304 3.200) 4.164 4.387 ( 3.539 -5.761 -3.269) 7.510 4.597 ( 2.499 -6.712 3.597) 8.015 4.672 ( 1.208 -7.239 -0.436) 7.352 4.789 ( -1.134 1.927 -1.086) 2.486 4.936 ( 1.284 6.770 0.274) 6.897 5.074 ( -2.584 3.280 -1.012) 4.297 5.112 ( 2.323 4.901 2.820) 6.113 5.163 ( 1.452 -0.155 3.725) 4.001 5.231 ( -3.528 1.889 6.554) 7.679 5.416 ( -8.861 -1.764 -4.526) 10.106 5.531 ( -7.745 1.269 4.700) 9.148 5.611 ( 2.477 -2.504 3.125) 4.709 5.661 ( -0.884 2.409 -6.385) 6.881 5.770 ( -0.578 -1.791 -2.027) 2.766 5.878 ( 1.035 -1.982 1.725) 2.824 5.949 ( 0.899 1.102 -3.231) 3.530 6.056 ( 2.795 0.300 -1.242) 3.073 6.059 ( -0.159 5.199 -0.423) 5.218 6.191 ( -1.565 3.092 0.822) 3.561 6.314 ( 3.089 0.511 3.291) 4.543 6.449 ( -0.965 -3.206 2.557) 4.213 6.569 ( 3.351 1.921 0.573) 3.905 6.593 ( -2.297 -2.719 0.590) 3.608 6.647 ( 0.274 0.347 0.059) 0.446 6.763 ( -3.458 -0.540 1.910) 3.987 6.855 ( 0.498 0.499 -1.418) 1.584 6.944 ( -0.937 -0.063 -0.162) 0.953 6.977 ( -0.186 -0.980 -0.897) 1.341 7.045 ( 0.005 0.619 -0.250) 0.667 7.276 ( 2.119 -0.405 1.271) 2.504 7.333 ( -0.271 1.061 -2.871) 3.073 7.426 ( 0.940 -2.180 -1.617) 2.873 7.504 ( -6.441 0.800 -1.211) 6.603 7.871 ( 10.982 -3.369 3.345) 11.965 8.021 ( -1.302 3.459 3.534) 5.113 8.610 ( 0.728 0.045 2.808) 2.901 8.811 ( -9.963 -9.485 4.520) 14.479 8.967 ( 0.492 0.133 2.464) 2.516 9.083 ( -1.882 -0.132 2.494) 3.127 9.239 ( 0.327 0.981 -1.359) 1.708 9.395 ( 0.696 -2.087 -1.310) 2.560 9.420 ( -0.842 -0.699 -1.838) 2.139 9.502 ( -0.805 -4.682 6.287) 7.880 9.703 ( -1.335 3.221 -3.404) 4.873 9.860 ( 3.644 -1.728 1.309) 4.240 9.981 ( 6.759 6.212 -5.235) 10.568 10.028 ( 4.170 5.474 -3.861) 7.890 ======================= Grid point 56 (30/63) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 14.451 -0.000 13.540) 19.803 1.105 ( 7.270 -0.000 9.122) 11.664 1.147 ( 0.240 -0.000 3.442) 3.451 1.319 ( 5.225 -0.000 0.077) 5.226 1.422 ( 2.982 -0.000 -2.185) 3.696 1.523 ( -1.889 0.000 -11.461) 11.615 1.553 ( 0.346 -0.000 0.329) 0.478 1.598 ( -1.075 0.000 -2.374) 2.606 1.831 ( -4.170 0.000 -1.268) 4.359 1.832 ( -3.936 0.000 -10.862) 11.553 1.946 ( -6.344 0.000 -1.369) 6.490 2.044 ( -3.194 0.000 -4.102) 5.199 2.109 ( -5.897 0.000 -1.825) 6.173 2.124 ( 5.470 -0.000 3.044) 6.260 2.288 ( -4.600 0.000 -1.162) 4.745 2.363 ( -0.651 0.000 4.079) 4.131 2.584 ( 7.659 -0.000 13.119) 15.191 2.652 ( 7.867 -0.000 -10.422) 13.057 2.852 ( 6.919 -0.000 -5.116) 8.605 2.873 ( 3.667 -0.000 -9.118) 9.828 3.024 ( 5.611 -0.000 -2.003) 5.958 3.054 ( -3.315 0.000 -2.069) 3.908 3.103 ( -0.937 0.000 0.505) 1.064 3.232 ( 4.627 -0.000 -0.539) 4.659 3.282 ( 2.344 -0.000 -0.570) 2.413 3.304 ( -2.259 0.000 1.319) 2.616 3.395 ( 5.897 -0.000 -11.989) 13.360 3.473 ( 2.226 -0.000 -1.136) 2.499 3.515 ( -15.019 0.000 -5.521) 16.001 3.650 ( -12.783 0.000 4.689) 13.616 3.772 ( 11.117 -0.000 5.056) 12.212 3.813 ( 2.045 -0.000 3.805) 4.320 3.967 ( -0.449 0.000 0.997) 1.094 3.995 ( 5.378 -0.000 6.555) 8.479 4.116 ( -4.115 0.000 4.786) 6.312 4.223 ( 0.521 -0.000 -1.608) 1.691 4.286 ( -0.590 0.000 -10.258) 10.275 4.533 ( 6.845 -0.000 -2.206) 7.192 4.620 ( -6.790 0.000 -3.973) 7.867 4.733 ( -5.304 0.000 -4.869) 7.200 4.771 ( 5.019 -0.000 2.798) 5.746 4.848 ( -3.523 0.000 0.977) 3.656 4.869 ( -10.434 0.000 6.490) 12.288 5.043 ( -2.028 0.000 4.735) 5.151 5.139 ( 2.560 -0.000 3.359) 4.223 5.284 ( 3.498 -0.000 3.441) 4.907 5.353 ( 0.058 -0.000 4.605) 4.605 5.419 ( 2.197 -0.000 5.239) 5.681 5.606 ( -1.666 0.000 -2.273) 2.819 5.671 ( -3.365 0.000 -4.508) 5.625 5.710 ( 12.476 -0.000 -5.497) 13.633 5.799 ( -8.356 0.000 1.959) 8.582 5.992 ( -3.096 0.000 0.312) 3.112 6.082 ( -6.525 0.000 4.487) 7.919 6.119 ( 2.419 -0.000 0.906) 2.583 6.190 ( 0.053 -0.000 -0.767) 0.769 6.392 ( 12.489 -0.000 -5.188) 13.523 6.489 ( -3.890 0.000 3.706) 5.373 6.494 ( 0.318 -0.000 -3.263) 3.279 6.641 ( -3.078 0.000 3.087) 4.359 6.680 ( 1.061 -0.000 -2.900) 3.088 6.806 ( -0.326 0.000 2.968) 2.986 6.863 ( -1.723 0.000 -0.879) 1.934 6.947 ( 3.665 -0.000 0.588) 3.712 6.953 ( 4.715 -0.000 -2.109) 5.165 7.127 ( 1.502 -0.000 -1.259) 1.960 7.203 ( -5.166 0.000 1.498) 5.379 7.345 ( 0.772 -0.000 -0.648) 1.008 7.391 ( 1.246 -0.000 2.566) 2.852 7.457 ( 0.985 -0.000 -2.633) 2.811 7.830 ( -8.335 0.000 0.222) 8.338 8.329 ( 3.854 -0.000 -4.416) 5.862 8.538 ( -3.785 0.000 6.512) 7.532 8.688 ( -2.906 0.000 7.838) 8.360 8.997 ( -3.515 0.000 1.177) 3.707 9.049 ( -0.517 0.000 3.120) 3.162 9.292 ( 1.910 -0.000 1.360) 2.344 9.295 ( -1.955 0.000 -2.294) 3.014 9.384 ( -0.575 0.000 -0.997) 1.151 9.499 ( -1.635 0.000 -5.986) 6.205 9.581 ( -2.933 0.000 6.122) 6.788 9.920 ( -3.238 0.000 0.193) 3.244 10.017 ( 3.439 -0.000 -3.544) 4.938 10.156 ( 5.838 -0.000 -3.861) 6.999 ======================= Grid point 57 (31/63) ======================= q-point: (-0.60 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 3.088 11.392 0.937) 11.840 1.167 ( 1.458 0.462 1.096) 1.882 1.221 ( 1.065 2.364 7.270) 7.718 1.306 ( 7.266 6.807 9.471) 13.741 1.454 ( -0.981 -2.984 -13.078) 13.450 1.480 ( 4.428 -1.836 -3.800) 6.117 1.559 ( -1.071 0.726 -0.783) 1.512 1.646 ( -2.585 4.431 -6.684) 8.425 1.709 ( 4.053 -9.544 -1.593) 10.491 1.826 ( -1.982 -5.626 -0.017) 5.965 1.911 ( -2.749 -0.516 6.524) 7.099 2.025 ( -1.202 -8.423 0.258) 8.512 2.099 ( -1.482 -1.776 0.436) 2.354 2.186 ( -0.824 2.120 2.022) 3.044 2.265 ( 3.989 -5.096 1.437) 6.629 2.435 ( -1.155 -7.418 -4.096) 8.553 2.665 ( 6.458 2.153 -10.880) 12.834 2.788 ( 5.975 0.274 9.207) 10.980 2.828 ( 1.099 1.529 -9.756) 9.936 2.908 ( 4.937 0.864 -7.475) 9.000 2.983 ( 2.535 2.894 -7.090) 8.067 3.020 ( -1.168 1.366 -0.886) 2.004 3.054 ( -7.853 2.733 2.849) 8.789 3.199 ( -2.028 4.549 0.250) 4.987 3.225 ( -3.501 -1.719 -7.856) 8.771 3.292 ( -2.828 5.497 -1.710) 6.414 3.368 ( 1.011 -3.628 -1.656) 4.114 3.382 ( -0.202 0.173 6.218) 6.224 3.493 ( 1.144 -0.572 -2.571) 2.871 3.597 ( -1.221 -4.003 -1.803) 4.557 3.769 ( -2.656 5.961 3.918) 7.611 3.873 ( -0.568 0.867 -0.191) 1.054 3.973 ( 9.158 6.212 0.751) 11.091 4.065 ( 1.412 3.492 3.454) 5.111 4.107 ( -3.370 -1.433 0.831) 3.755 4.189 ( -4.508 -3.777 -8.172) 10.068 4.300 ( 7.791 -3.358 -4.462) 9.585 4.380 ( -4.478 10.194 -0.890) 11.170 4.591 ( 2.826 2.575 2.644) 4.648 4.634 ( 3.320 11.020 0.516) 11.521 4.778 ( -5.801 -2.198 -2.237) 6.595 4.859 ( -3.893 -9.515 6.619) 12.227 4.973 ( 3.829 -5.952 1.173) 7.174 5.057 ( -2.468 -2.045 4.590) 5.598 5.185 ( 3.980 3.093 4.606) 6.828 5.383 ( 0.558 -1.381 4.953) 5.172 5.406 ( 0.979 -0.049 0.864) 1.307 5.468 ( 1.068 -2.855 2.118) 3.712 5.552 ( -6.744 -3.390 -1.253) 7.651 5.643 ( -2.617 -3.787 0.889) 4.688 5.688 ( -5.690 1.768 0.608) 5.989 5.836 ( 5.771 -2.488 -3.450) 7.169 5.953 ( -1.025 1.010 -0.179) 1.450 6.058 ( -0.697 -0.311 0.996) 1.255 6.146 ( 0.540 -1.307 -0.767) 1.609 6.220 ( 2.016 -0.334 5.210) 5.596 6.442 ( -3.354 2.353 2.246) 4.673 6.458 ( -1.949 -1.719 -0.081) 2.600 6.498 ( 9.384 4.135 -7.339) 12.610 6.604 ( -2.569 1.115 1.730) 3.292 6.688 ( -0.753 -1.978 -0.621) 2.206 6.793 ( -0.525 2.522 1.247) 2.862 6.841 ( 0.253 0.580 -0.298) 0.700 6.983 ( 3.881 2.688 -0.936) 4.813 6.997 ( 2.588 -0.903 -0.519) 2.790 7.128 ( -6.392 0.982 1.528) 6.645 7.160 ( 2.707 -2.138 -1.036) 3.601 7.345 ( 1.627 1.215 -1.337) 2.431 7.404 ( -0.669 -0.052 -0.445) 0.806 7.478 ( 1.008 -2.091 0.441) 2.363 7.742 ( -6.251 -0.964 0.113) 6.326 8.264 ( -3.828 3.664 -1.070) 5.406 8.583 ( 4.046 0.446 2.767) 4.922 8.682 ( -6.012 0.133 8.142) 10.122 8.971 ( -1.434 0.203 1.422) 2.030 9.063 ( -0.772 -0.253 2.944) 3.054 9.266 ( -0.813 -0.338 -1.642) 1.863 9.321 ( 1.169 0.094 0.292) 1.209 9.376 ( -0.602 -0.751 1.728) 1.978 9.438 ( -1.709 0.386 -3.829) 4.211 9.619 ( -1.107 -3.772 4.225) 5.771 9.885 ( -2.994 -0.110 -0.551) 3.046 10.001 ( 1.597 1.986 -5.287) 5.869 10.200 ( 5.456 -0.539 -5.923) 8.071 ======================= Grid point 58 (32/63) ======================= q-point: (-0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 4.324 13.202 -2.065) 14.044 1.092 ( -5.557 -0.456 -2.049) 5.940 1.189 ( -3.926 8.109 7.909) 11.989 1.299 ( -7.289 0.738 -4.903) 8.816 1.390 ( -0.542 1.199 -3.216) 3.474 1.478 ( 2.647 2.415 0.264) 3.593 1.546 ( 3.089 -3.589 -5.955) 7.608 1.659 ( 7.500 -0.295 4.998) 9.017 1.840 ( 0.057 -3.025 3.932) 4.961 1.955 ( -0.626 -1.766 5.245) 5.570 1.996 ( 4.793 -5.449 3.055) 7.874 2.089 ( -0.680 1.737 0.994) 2.114 2.162 ( 2.132 -7.110 -2.607) 7.867 2.272 ( -1.292 2.204 5.003) 5.618 2.352 ( 7.549 -7.567 1.015) 10.736 2.503 ( -1.077 -8.341 -3.677) 9.179 2.641 ( 4.591 1.838 -7.644) 9.104 2.675 ( -6.126 7.312 -6.719) 11.668 2.741 ( -4.045 -3.258 -7.118) 8.811 2.847 ( -2.382 0.562 -3.589) 4.344 2.931 ( 3.622 6.426 -10.046) 12.463 2.950 ( 1.050 4.340 -6.516) 7.899 3.031 ( 1.629 0.507 -0.439) 1.762 3.085 ( 0.160 5.727 -1.552) 5.935 3.154 ( -1.094 2.671 2.858) 4.062 3.303 ( -0.891 -3.649 4.760) 6.063 3.418 ( 3.058 -0.498 -1.557) 3.468 3.475 ( 2.606 -7.131 -1.085) 7.670 3.522 ( -3.189 -3.973 -0.379) 5.109 3.615 ( 4.203 0.532 1.752) 4.584 3.693 ( -2.631 3.713 -0.301) 4.560 3.814 ( -2.150 -0.613 1.099) 2.491 3.977 ( -6.684 2.913 -3.309) 8.007 4.023 ( 3.801 5.543 4.443) 8.057 4.079 ( 4.028 -2.351 -2.982) 5.536 4.117 ( -3.483 1.420 -5.707) 6.835 4.275 ( -3.557 2.587 -0.031) 4.399 4.402 ( 4.303 1.370 0.269) 4.524 4.479 ( 5.098 0.194 -5.605) 7.579 4.653 ( 3.618 6.006 7.300) 10.122 4.792 ( -0.203 -3.291 3.209) 4.601 4.993 ( -2.785 -7.442 2.875) 8.451 5.055 ( -0.597 0.106 2.966) 3.028 5.102 ( 1.413 -3.718 -0.273) 3.987 5.224 ( 2.193 2.578 4.188) 5.385 5.305 ( -1.452 3.918 -2.345) 4.792 5.441 ( -7.379 -0.391 -0.297) 7.396 5.477 ( -0.004 -3.923 4.382) 5.882 5.577 ( -6.597 1.224 5.571) 8.721 5.624 ( 2.482 -3.224 1.869) 4.477 5.731 ( 3.156 -3.318 -1.297) 4.760 5.835 ( -7.634 -2.415 -3.669) 8.808 5.979 ( 6.708 1.088 1.058) 6.877 6.069 ( 1.685 0.606 -0.746) 1.940 6.157 ( -0.331 -0.267 -0.480) 0.641 6.300 ( 1.095 0.330 8.228) 8.307 6.369 ( -1.351 3.410 0.516) 3.704 6.428 ( 0.975 4.516 -6.013) 7.583 6.473 ( -1.448 -2.534 0.146) 2.923 6.601 ( 1.494 0.705 2.044) 2.628 6.700 ( -2.343 -2.264 0.159) 3.262 6.749 ( 0.869 3.698 -0.552) 3.838 6.853 ( 1.864 -0.624 -1.458) 2.448 6.961 ( 1.177 3.393 0.375) 3.611 7.022 ( -4.234 -0.608 0.580) 4.316 7.042 ( 0.084 1.851 0.157) 1.860 7.243 ( 3.517 -2.480 0.184) 4.307 7.341 ( 1.026 -0.176 -2.863) 3.046 7.385 ( -0.654 -0.183 -1.913) 2.029 7.498 ( -3.981 -1.384 0.224) 4.221 7.753 ( 3.620 -3.490 2.842) 5.776 8.153 ( -3.710 4.084 0.242) 5.523 8.627 ( 1.979 1.154 2.090) 3.101 8.650 ( -7.483 -1.110 7.102) 10.376 8.974 ( 0.431 0.359 2.540) 2.601 9.072 ( -1.503 -0.225 2.916) 3.288 9.258 ( 0.103 -0.039 -0.924) 0.931 9.334 ( 0.677 -1.230 -0.524) 1.498 9.396 ( -1.542 -0.390 -2.528) 2.987 9.420 ( -0.085 -2.176 4.248) 4.774 9.721 ( 2.145 -5.738 3.061) 6.849 9.821 ( -1.695 3.190 -3.294) 4.889 9.965 ( 0.154 -0.702 -3.898) 3.964 10.214 ( 4.459 1.196 -9.149) 10.248 ======================= Grid point 59 (33/63) ======================= q-point: (-0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 5.083 13.681 5.196) 15.492 1.003 ( -6.447 -0.642 -6.061) 8.872 1.071 ( -2.433 3.984 7.719) 9.021 1.172 ( -8.833 -2.635 0.235) 9.220 1.378 ( 2.040 -0.964 -2.485) 3.356 1.529 ( 3.105 -1.364 0.341) 3.408 1.590 ( 2.117 -1.147 0.270) 2.423 1.817 ( 2.714 0.889 1.203) 3.099 1.871 ( 3.402 0.130 5.551) 6.511 1.922 ( -1.291 7.483 1.697) 7.781 2.004 ( -0.742 0.775 2.202) 2.449 2.081 ( 2.635 1.035 -3.396) 4.421 2.251 ( -2.852 -2.469 -5.857) 6.967 2.282 ( 2.095 -2.250 1.014) 3.237 2.400 ( -1.641 7.610 -7.300) 10.673 2.480 ( -4.666 2.691 -8.947) 10.444 2.574 ( 4.018 4.584 3.100) 6.839 2.664 ( -1.040 -11.358 -2.394) 11.654 2.804 ( 2.528 -1.261 -3.887) 4.805 2.827 ( 0.889 -1.146 0.590) 1.566 2.843 ( 0.429 0.731 0.478) 0.973 2.896 ( 5.556 0.631 -6.749) 8.764 2.992 ( 8.232 1.582 0.003) 8.383 3.114 ( 2.850 -2.772 -1.756) 4.346 3.143 ( 1.215 -0.213 1.600) 2.021 3.348 ( -2.730 -2.159 4.480) 5.673 3.390 ( 0.848 3.774 -6.443) 7.515 3.521 ( -3.434 -2.248 -0.878) 4.197 3.562 ( -2.204 0.300 -4.461) 4.985 3.666 ( 0.398 -6.094 2.842) 6.736 3.717 ( 6.808 0.187 2.120) 7.133 3.791 ( -1.693 1.416 -3.534) 4.166 3.875 ( -4.651 -4.842 -0.474) 6.731 3.976 ( -5.227 1.751 -2.273) 5.963 4.071 ( 3.910 0.252 3.438) 5.213 4.166 ( -3.812 0.735 0.682) 3.942 4.203 ( 4.458 -4.522 0.729) 6.392 4.492 ( 3.267 -5.321 -0.220) 6.248 4.533 ( 2.754 -0.590 -5.416) 6.104 4.641 ( -0.745 1.038 1.931) 2.315 4.818 ( -1.353 2.083 3.087) 3.962 5.022 ( -1.519 1.071 2.852) 3.404 5.039 ( -4.318 -2.042 -1.829) 5.115 5.148 ( -2.436 -0.600 1.405) 2.876 5.212 ( 4.933 1.945 2.687) 5.945 5.299 ( 2.300 3.655 3.594) 5.619 5.338 ( -6.243 2.999 4.507) 8.263 5.493 ( -4.162 1.268 5.041) 6.659 5.523 ( -4.698 0.410 -6.759) 8.242 5.720 ( 2.890 -1.653 -0.160) 3.334 5.767 ( -0.019 -2.716 0.145) 2.720 5.795 ( 2.034 -0.848 -0.874) 2.371 6.028 ( 3.030 1.573 -0.492) 3.449 6.048 ( -1.817 1.371 -0.858) 2.433 6.158 ( 3.824 1.863 0.809) 4.330 6.249 ( -0.807 5.360 1.273) 5.568 6.325 ( -3.404 2.027 -2.905) 4.913 6.415 ( -0.351 -3.402 4.841) 5.927 6.530 ( 0.691 -3.718 0.360) 3.798 6.617 ( 0.497 1.725 1.384) 2.266 6.705 ( 0.681 -1.130 0.004) 1.319 6.717 ( 0.425 0.950 -0.274) 1.076 6.870 ( 1.733 0.021 -0.917) 1.960 6.929 ( -2.257 1.364 0.962) 2.807 6.953 ( -2.501 0.444 -1.080) 2.760 7.067 ( 3.290 0.014 -0.210) 3.297 7.298 ( -0.595 -0.330 1.059) 1.259 7.318 ( 0.174 -0.061 -2.037) 2.045 7.375 ( -1.781 -0.801 -1.425) 2.417 7.462 ( -0.650 -0.231 -1.367) 1.531 7.952 ( 9.121 -6.224 3.206) 11.498 8.057 ( -2.856 2.575 0.523) 3.880 8.621 ( -9.797 -3.584 7.166) 12.656 8.643 ( 0.466 0.956 2.827) 3.021 9.000 ( 0.935 0.154 3.423) 3.552 9.065 ( -3.038 -0.186 2.546) 3.968 9.255 ( 1.012 0.716 -0.201) 1.256 9.356 ( -0.706 -1.553 -2.136) 2.734 9.379 ( -0.352 -1.212 -1.184) 1.731 9.481 ( -1.047 -2.410 5.136) 5.769 9.719 ( -1.146 4.161 -3.968) 5.863 9.864 ( 3.632 -4.595 2.220) 6.263 9.984 ( 2.934 -2.912 -3.806) 5.619 10.144 ( 1.486 4.754 -9.062) 10.341 ======================= Grid point 62 (34/63) ======================= q-point: (-0.60 -0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -10.044 0.000 -14.140) 17.344 1.281 ( 3.383 -0.000 7.197) 7.952 1.315 ( -0.921 0.000 6.881) 6.942 1.346 ( 4.931 -0.000 -14.259) 15.088 1.528 ( 8.959 -0.000 -5.638) 10.585 1.559 ( 3.059 -0.000 3.318) 4.513 1.563 ( -4.296 0.000 8.909) 9.891 1.641 ( 6.787 -0.000 6.142) 9.153 1.651 ( -0.468 0.000 -1.956) 2.011 1.759 ( 1.388 -0.000 3.771) 4.019 1.863 ( -2.965 0.000 4.845) 5.681 2.024 ( 1.383 -0.000 1.664) 2.163 2.073 ( 0.457 -0.000 4.648) 4.670 2.222 ( 3.398 -0.000 4.538) 5.669 2.257 ( -3.663 0.000 1.048) 3.810 2.376 ( 8.177 -0.000 -3.138) 8.758 2.649 ( 1.845 -0.000 -20.108) 20.192 2.792 ( 0.789 -0.000 -8.852) 8.887 2.798 ( -19.839 0.000 -6.415) 20.850 2.852 ( 3.679 -0.000 -4.499) 5.811 3.012 ( -0.937 0.000 -2.455) 2.627 3.019 ( 9.188 -0.000 -11.866) 15.007 3.038 ( 7.286 -0.000 -4.746) 8.695 3.138 ( -0.937 0.000 2.238) 2.426 3.237 ( -5.318 0.000 -12.161) 13.272 3.298 ( -0.228 0.000 9.679) 9.682 3.330 ( -7.398 0.000 4.856) 8.850 3.336 ( 2.768 -0.000 0.026) 2.768 3.547 ( 4.663 -0.000 5.076) 6.893 3.614 ( 5.846 -0.000 -3.081) 6.608 3.789 ( -5.459 0.000 2.586) 6.040 3.854 ( -2.864 0.000 3.444) 4.479 3.992 ( -10.258 0.000 2.581) 10.578 4.009 ( -5.089 0.000 -9.940) 11.167 4.131 ( 7.453 -0.000 -4.255) 8.582 4.226 ( 3.881 -0.000 4.404) 5.870 4.322 ( 9.980 -0.000 -6.665) 12.001 4.503 ( 0.450 -0.000 0.758) 0.881 4.514 ( -7.244 0.000 -1.613) 7.421 4.665 ( 0.281 -0.000 6.963) 6.969 4.775 ( -1.838 0.000 -0.699) 1.966 4.868 ( 0.786 -0.000 3.858) 3.937 4.992 ( 7.322 -0.000 2.791) 7.836 5.007 ( -2.860 0.000 0.887) 2.994 5.350 ( -5.196 0.000 3.944) 6.523 5.370 ( 4.015 -0.000 7.800) 8.773 5.392 ( -3.743 0.000 -3.044) 4.824 5.410 ( -1.541 0.000 2.012) 2.535 5.506 ( 1.146 -0.000 5.911) 6.021 5.609 ( 0.332 -0.000 3.528) 3.543 5.638 ( -3.658 0.000 0.009) 3.658 5.786 ( -2.104 0.000 -5.992) 6.351 6.002 ( 4.791 -0.000 -1.245) 4.950 6.090 ( 3.049 -0.000 1.649) 3.467 6.123 ( -0.410 0.000 -2.875) 2.904 6.290 ( 2.601 -0.000 6.360) 6.871 6.416 ( -1.853 0.000 -0.611) 1.951 6.424 ( -3.539 0.000 2.165) 4.149 6.572 ( 2.660 -0.000 -8.850) 9.241 6.584 ( -3.764 0.000 3.364) 5.048 6.683 ( 4.467 -0.000 -0.971) 4.571 6.822 ( -1.204 0.000 3.244) 3.460 6.844 ( -0.201 0.000 0.554) 0.589 6.998 ( 0.089 -0.000 -1.532) 1.535 7.067 ( -4.953 0.000 2.161) 5.404 7.077 ( 7.131 -0.000 -3.444) 7.919 7.157 ( 1.852 -0.000 -0.419) 1.898 7.365 ( -3.147 0.000 -3.028) 4.367 7.373 ( 1.951 -0.000 -1.710) 2.594 7.456 ( -2.993 0.000 2.442) 3.863 7.698 ( -0.230 0.000 2.264) 2.276 8.216 ( -5.622 0.000 -1.201) 5.749 8.643 ( -7.821 0.000 6.820) 10.377 8.664 ( 5.393 -0.000 0.612) 5.427 8.982 ( 0.452 -0.000 2.682) 2.720 9.073 ( -0.409 0.000 3.261) 3.287 9.248 ( 0.336 -0.000 -1.524) 1.560 9.327 ( -0.487 0.000 -1.108) 1.210 9.377 ( -0.243 0.000 3.159) 3.168 9.399 ( -0.779 0.000 -4.076) 4.150 9.601 ( -1.596 0.000 5.757) 5.974 9.848 ( -2.738 0.000 0.941) 2.896 9.995 ( 1.128 -0.000 -8.546) 8.620 10.196 ( 2.333 -0.000 -6.319) 6.736 ======================= Grid point 63 (35/63) ======================= q-point: (-0.40 -0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( -10.524 -2.641 -10.506) 15.103 1.199 ( -8.648 7.357 1.583) 11.464 1.279 ( 0.238 7.307 2.486) 7.722 1.307 ( -0.534 5.340 -1.799) 5.660 1.434 ( 5.264 9.970 -4.178) 12.024 1.525 ( 1.325 -1.400 2.771) 3.376 1.641 ( 5.252 4.759 6.403) 9.551 1.750 ( 1.609 -3.735 4.440) 6.021 1.801 ( 2.085 -5.665 4.207) 7.358 1.941 ( 0.924 -4.718 4.987) 6.927 1.976 ( 7.386 -9.290 5.951) 13.277 2.085 ( 0.608 -4.841 1.768) 5.189 2.103 ( 2.712 -1.764 1.243) 3.466 2.240 ( -2.974 -5.047 -2.378) 6.323 2.347 ( 2.888 -2.746 1.116) 4.139 2.440 ( -2.272 6.173 -6.611) 9.326 2.528 ( -7.419 -2.537 -6.414) 10.130 2.569 ( 5.857 -6.103 -6.206) 10.492 2.738 ( 0.892 4.642 -8.628) 9.838 2.792 ( -0.712 1.945 -6.384) 6.711 2.961 ( 0.152 2.087 -5.385) 5.777 3.031 ( 3.919 4.616 -9.701) 11.435 3.054 ( 3.088 -1.760 -8.316) 9.044 3.104 ( -2.909 -1.850 -7.042) 7.840 3.141 ( 1.422 0.455 -1.822) 2.356 3.277 ( -3.616 0.781 3.305) 4.961 3.386 ( 2.112 -4.251 2.381) 5.311 3.442 ( 2.528 -2.478 5.494) 6.535 3.552 ( 0.597 6.571 2.247) 6.970 3.670 ( 2.966 -1.224 -1.209) 3.429 3.719 ( -2.293 3.083 1.339) 4.068 3.835 ( -0.969 2.453 5.155) 5.790 3.867 ( -5.853 0.786 -3.065) 6.654 3.938 ( -3.798 -2.889 -5.176) 7.040 4.156 ( 3.400 1.917 -2.190) 4.476 4.262 ( 1.875 2.050 4.728) 5.484 4.312 ( 0.175 8.932 -2.218) 9.205 4.425 ( 3.138 -3.059 -4.169) 6.048 4.543 ( 0.231 10.062 -1.918) 10.246 4.642 ( -0.676 -7.934 0.119) 7.964 4.848 ( 0.170 2.551 5.395) 5.971 4.915 ( -2.456 -1.183 4.795) 5.516 4.950 ( -4.265 -8.353 -0.262) 9.383 5.102 ( -0.487 -2.589 2.245) 3.461 5.286 ( -5.213 -0.194 0.001) 5.216 5.316 ( 1.644 2.447 1.439) 3.281 5.429 ( 2.683 1.444 5.491) 6.280 5.453 ( -1.188 0.147 6.124) 6.240 5.561 ( -3.269 0.682 3.583) 4.898 5.653 ( 5.198 -2.158 0.631) 5.663 5.675 ( -2.049 -3.212 -0.374) 3.828 5.748 ( 3.399 -2.360 -2.192) 4.683 6.040 ( 2.122 0.273 -2.659) 3.413 6.078 ( -0.229 0.857 -2.630) 2.776 6.151 ( 1.441 -1.761 1.161) 2.555 6.333 ( -2.380 -1.040 1.047) 2.800 6.395 ( -1.838 2.493 6.725) 7.404 6.417 ( -0.086 -2.523 0.263) 2.538 6.476 ( -1.210 4.575 -6.873) 8.344 6.602 ( -1.631 -2.832 1.561) 3.622 6.708 ( 3.721 3.305 -0.378) 4.991 6.806 ( -0.177 2.733 0.758) 2.842 6.849 ( -0.401 -0.859 1.120) 1.468 6.963 ( -4.516 0.278 0.574) 4.561 7.023 ( -0.368 2.782 -0.335) 2.826 7.098 ( 5.214 2.729 -2.158) 6.268 7.245 ( 4.336 -3.794 0.013) 5.761 7.295 ( -4.622 -0.711 -2.690) 5.395 7.377 ( 0.888 0.572 -1.458) 1.801 7.436 ( -2.718 -1.174 0.513) 3.005 7.776 ( 4.863 -3.753 4.120) 7.396 8.125 ( -5.462 1.192 -2.006) 5.940 8.587 ( -6.921 0.198 5.878) 9.082 8.708 ( 3.602 2.535 0.452) 4.428 9.009 ( 0.826 0.298 3.500) 3.609 9.081 ( -1.235 1.488 3.574) 4.063 9.254 ( 1.138 -0.501 -0.771) 1.463 9.320 ( 0.182 -1.182 -0.975) 1.543 9.368 ( -0.429 0.292 -1.977) 2.044 9.413 ( -0.197 -2.000 3.589) 4.113 9.670 ( 0.379 -6.059 4.340) 7.462 9.819 ( -1.425 0.869 -1.303) 2.117 9.932 ( -0.261 0.755 -6.729) 6.776 10.180 ( 0.500 -0.988 -7.807) 7.885 ======================= Grid point 64 (36/63) ======================= q-point: (-0.20 -0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( -4.912 -8.019 3.028) 9.880 0.993 ( -12.524 -0.430 1.387) 12.608 1.132 ( 0.613 12.737 7.948) 15.026 1.252 ( 3.753 6.449 1.703) 7.654 1.385 ( 4.453 2.356 -3.478) 6.122 1.570 ( 1.494 -0.969 -1.738) 2.488 1.665 ( 4.885 4.706 2.975) 7.407 1.808 ( -3.161 -1.020 -2.003) 3.879 1.933 ( 5.809 -2.803 4.503) 7.866 1.977 ( -1.818 0.408 -4.322) 4.707 2.041 ( -0.475 4.616 -1.712) 4.946 2.103 ( 2.295 1.907 -2.844) 4.122 2.173 ( -8.260 2.910 -6.193) 10.727 2.275 ( 3.331 -5.182 1.252) 6.286 2.297 ( -5.543 -4.162 -2.272) 7.294 2.428 ( 0.090 -6.180 -1.819) 6.443 2.587 ( 3.574 0.296 2.882) 4.601 2.653 ( 7.230 -4.356 1.511) 8.575 2.750 ( 3.527 -3.900 -4.191) 6.724 2.792 ( 2.079 -2.081 -0.460) 2.977 2.905 ( 2.391 1.454 -6.848) 7.398 2.938 ( 2.770 4.040 -1.877) 5.246 3.044 ( -3.639 -1.441 -3.127) 5.009 3.077 ( 2.477 -3.326 -7.198) 8.307 3.161 ( 2.238 -0.413 1.782) 2.891 3.276 ( -1.972 -4.863 1.534) 5.467 3.400 ( -2.856 3.084 -3.564) 5.511 3.498 ( -1.031 1.397 3.706) 4.093 3.541 ( 3.181 -2.536 -1.970) 4.520 3.616 ( -1.644 4.681 0.072) 4.962 3.724 ( -2.162 -3.808 1.006) 4.493 3.801 ( 0.875 2.363 -1.299) 2.835 3.860 ( 7.485 2.894 -0.528) 8.042 3.901 ( -0.092 -2.709 -5.031) 5.714 4.146 ( -4.281 3.929 -1.696) 6.053 4.213 ( 5.900 2.544 2.166) 6.781 4.262 ( -1.086 2.342 4.890) 5.529 4.392 ( -2.312 -0.956 -2.160) 3.305 4.534 ( 3.784 -2.229 -5.231) 6.830 4.632 ( -6.152 5.437 -3.686) 9.000 4.800 ( -3.569 -3.864 2.849) 5.982 4.920 ( -1.955 -2.305 0.761) 3.117 5.046 ( -1.128 0.511 4.640) 4.802 5.128 ( -4.559 -2.701 6.944) 8.735 5.277 ( 0.324 -1.720 2.369) 2.945 5.329 ( 0.345 -0.340 -0.775) 0.914 5.400 ( -5.398 4.154 4.769) 8.315 5.513 ( 4.894 1.374 1.374) 5.265 5.524 ( 2.855 2.844 1.153) 4.192 5.665 ( -1.226 -2.206 1.193) 2.791 5.750 ( 2.849 -2.102 -0.054) 3.541 5.849 ( 3.591 -0.160 -1.463) 3.880 5.991 ( -2.077 -0.857 -2.884) 3.655 6.079 ( 0.895 -0.167 -0.722) 1.163 6.202 ( 1.439 -1.469 0.588) 2.139 6.276 ( -6.129 1.772 1.207) 6.493 6.324 ( -2.088 5.096 -3.118) 6.329 6.413 ( -0.123 -0.093 3.266) 3.270 6.489 ( 1.798 -4.200 0.473) 4.593 6.621 ( -2.995 -1.580 1.695) 3.787 6.692 ( 0.908 3.295 -0.065) 3.419 6.765 ( 2.053 1.255 -1.742) 2.971 6.876 ( -0.914 -1.866 1.195) 2.397 6.898 ( -2.606 2.178 0.319) 3.411 6.979 ( 1.361 2.470 -0.657) 2.896 7.120 ( 4.048 1.295 -0.834) 4.331 7.238 ( -5.029 -1.360 -1.188) 5.344 7.319 ( 0.989 -0.850 -0.186) 1.317 7.375 ( 1.594 0.645 0.993) 1.986 7.445 ( 1.647 -1.487 -2.087) 3.046 7.958 ( 3.077 -5.478 2.768) 6.866 8.025 ( -3.353 -0.951 -1.862) 3.951 8.547 ( -4.987 0.138 5.780) 7.635 8.698 ( 0.647 3.142 3.132) 4.483 9.034 ( -0.819 0.485 3.124) 3.266 9.045 ( -2.747 1.103 3.182) 4.346 9.277 ( 1.403 -0.265 0.280) 1.455 9.322 ( -0.005 0.179 -2.316) 2.323 9.369 ( 0.533 -0.324 1.000) 1.178 9.464 ( -0.814 -1.966 3.136) 3.790 9.738 ( -0.636 2.656 -3.193) 4.201 9.849 ( 3.566 -4.950 1.782) 6.356 9.929 ( 2.641 -5.855 -4.497) 7.840 10.125 ( -1.193 0.911 -7.214) 7.368 ======================= Grid point 68 (37/63) ======================= q-point: (-0.40 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -9.366 0.000 5.549) 10.886 1.124 ( -16.985 0.000 3.327) 17.307 1.315 ( 1.096 -0.000 -6.079) 6.177 1.350 ( -0.811 0.000 2.654) 2.775 1.453 ( -8.639 0.000 4.245) 9.626 1.657 ( 2.289 -0.000 6.310) 6.713 1.703 ( 3.479 -0.000 1.927) 3.977 1.778 ( 6.186 -0.000 1.321) 6.325 1.845 ( -0.935 0.000 6.306) 6.375 1.934 ( 1.742 -0.000 2.981) 3.453 2.031 ( -0.617 0.000 -3.772) 3.822 2.040 ( 5.425 -0.000 -3.675) 6.552 2.151 ( 0.836 -0.000 -0.083) 0.840 2.159 ( 9.624 -0.000 3.578) 10.268 2.277 ( -8.889 0.000 -8.283) 12.150 2.343 ( -1.075 0.000 -3.150) 3.329 2.576 ( 8.927 -0.000 1.892) 9.126 2.634 ( 9.925 -0.000 -0.413) 9.933 2.743 ( -3.842 0.000 -9.117) 9.894 2.744 ( 6.534 -0.000 -6.726) 9.377 2.886 ( -6.632 0.000 -8.188) 10.537 2.942 ( 0.995 -0.000 -5.541) 5.629 3.059 ( 0.887 -0.000 -8.493) 8.539 3.083 ( 5.563 -0.000 -10.184) 11.605 3.117 ( -2.194 0.000 0.811) 2.339 3.255 ( -3.097 0.000 1.467) 3.427 3.379 ( 1.995 -0.000 -7.496) 7.757 3.493 ( 0.284 -0.000 5.305) 5.313 3.600 ( -1.215 0.000 -3.432) 3.641 3.692 ( 1.820 -0.000 1.109) 2.132 3.744 ( 3.270 -0.000 1.809) 3.737 3.806 ( -3.676 0.000 4.662) 5.937 3.882 ( 1.933 -0.000 -8.598) 8.813 3.923 ( 2.270 -0.000 12.659) 12.860 4.163 ( -1.493 0.000 0.274) 1.518 4.280 ( -3.326 0.000 -2.439) 4.124 4.280 ( -9.713 0.000 -3.004) 10.167 4.483 ( 8.794 -0.000 -7.859) 11.794 4.541 ( 1.911 -0.000 5.588) 5.906 4.716 ( -3.633 0.000 -0.941) 3.753 4.825 ( 3.769 -0.000 2.600) 4.579 4.876 ( -4.281 0.000 -0.123) 4.283 4.921 ( 3.442 -0.000 6.634) 7.473 5.010 ( -8.166 0.000 3.278) 8.799 5.291 ( 1.444 -0.000 0.636) 1.577 5.299 ( -6.872 0.000 4.073) 7.988 5.436 ( -6.150 0.000 3.033) 6.857 5.504 ( 1.145 -0.000 2.235) 2.511 5.610 ( 6.119 -0.000 5.907) 8.505 5.674 ( 2.367 -0.000 -0.934) 2.545 5.738 ( 3.902 -0.000 -1.706) 4.258 5.757 ( 8.499 -0.000 3.254) 9.100 6.019 ( -4.044 0.000 -4.774) 6.256 6.040 ( -0.787 0.000 -3.430) 3.519 6.158 ( 0.518 -0.000 0.664) 0.842 6.279 ( -4.568 0.000 -0.047) 4.568 6.381 ( -1.507 0.000 -1.398) 2.056 6.431 ( -1.413 0.000 -8.674) 8.788 6.445 ( -1.828 0.000 7.324) 7.549 6.594 ( 0.349 -0.000 2.967) 2.988 6.774 ( 3.838 -0.000 -2.265) 4.457 6.824 ( -4.051 0.000 3.059) 5.076 6.845 ( -0.695 0.000 3.164) 3.239 6.934 ( -0.776 0.000 0.038) 0.777 7.026 ( -0.598 0.000 -2.038) 2.124 7.180 ( 1.716 -0.000 -3.945) 4.302 7.204 ( -3.091 0.000 -1.677) 3.516 7.272 ( 6.299 -0.000 1.669) 6.516 7.390 ( 1.031 -0.000 -0.285) 1.070 7.404 ( -1.090 0.000 0.732) 1.313 7.832 ( 4.442 -0.000 4.513) 6.332 8.035 ( -6.669 0.000 -4.218) 7.891 8.557 ( -3.833 0.000 4.944) 6.256 8.786 ( 4.344 -0.000 0.241) 4.351 9.043 ( 0.442 -0.000 3.521) 3.548 9.142 ( 2.054 -0.000 3.354) 3.933 9.266 ( 1.775 -0.000 0.405) 1.820 9.280 ( -1.226 0.000 -1.665) 2.068 9.367 ( 0.829 -0.000 0.365) 0.906 9.412 ( -0.494 0.000 2.914) 2.955 9.634 ( -1.848 0.000 4.285) 4.666 9.794 ( -2.084 0.000 -0.874) 2.260 9.890 ( -0.256 0.000 -6.266) 6.271 10.121 ( -0.743 0.000 -6.762) 6.803 ======================= Grid point 69 (38/63) ======================= q-point: (-0.20 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( -2.539 -5.997 22.628) 23.547 0.852 ( -17.665 5.311 5.766) 19.326 1.307 ( 0.252 0.433 2.595) 2.643 1.319 ( -0.202 3.514 0.936) 3.642 1.446 ( -9.541 -7.663 3.676) 12.777 1.575 ( 5.629 11.089 -0.961) 12.473 1.674 ( -5.651 -0.340 -12.084) 13.344 1.812 ( 0.899 4.646 3.108) 5.662 1.907 ( -4.700 -3.817 -5.447) 8.144 1.957 ( 3.395 0.112 -1.811) 3.849 2.016 ( -2.694 -2.105 -4.432) 5.597 2.052 ( 3.240 -3.797 -0.279) 4.999 2.174 ( -1.705 2.796 2.044) 3.860 2.203 ( 5.797 -1.972 -5.004) 7.908 2.344 ( 4.577 1.625 4.164) 6.398 2.397 ( 6.155 -3.498 5.489) 8.959 2.611 ( -0.968 -0.682 -4.948) 5.087 2.669 ( 5.480 -2.614 -2.837) 6.702 2.713 ( 0.261 -2.560 -6.956) 7.417 2.804 ( 3.754 -1.526 -0.857) 4.142 2.884 ( 1.065 -2.773 -3.564) 4.639 2.936 ( -2.295 -1.932 -4.335) 5.272 2.960 ( 0.917 0.427 -7.765) 7.830 3.055 ( 2.467 3.092 -0.353) 3.971 3.171 ( 5.413 -2.774 -3.398) 6.967 3.221 ( -0.982 -0.519 -0.632) 1.278 3.359 ( -0.542 -1.886 -3.312) 3.849 3.486 ( -1.636 1.481 1.370) 2.597 3.612 ( 3.261 -1.797 -3.880) 5.378 3.675 ( 2.879 7.362 1.345) 8.018 3.756 ( -0.853 3.941 7.081) 8.149 3.831 ( -1.129 0.010 -5.692) 5.802 3.859 ( 5.017 -1.601 1.898) 5.598 4.011 ( 4.811 4.329 3.665) 7.438 4.127 ( -1.821 1.259 -2.839) 3.601 4.183 ( -6.030 -3.791 1.012) 7.194 4.225 ( -6.241 -6.096 -2.310) 9.025 4.452 ( 4.963 9.825 1.465) 11.104 4.550 ( -3.294 4.635 -3.516) 6.686 4.657 ( -0.101 4.975 0.363) 4.990 4.769 ( 0.546 1.985 -0.141) 2.064 4.911 ( 2.252 -1.529 3.772) 4.652 4.999 ( -2.993 -5.707 1.485) 6.613 5.099 ( 2.336 -5.666 7.063) 9.351 5.221 ( -6.839 -0.493 0.888) 6.914 5.283 ( -6.220 -2.169 2.487) 7.041 5.413 ( 0.620 1.365 3.845) 4.127 5.546 ( 0.534 -2.526 3.354) 4.233 5.678 ( 2.832 3.781 -0.993) 4.828 5.695 ( 3.630 3.879 0.522) 5.338 5.762 ( 2.766 -0.825 3.102) 4.237 5.854 ( -0.006 1.553 -5.861) 6.063 5.942 ( 0.417 -1.890 -1.000) 2.178 6.046 ( -1.690 -4.340 -0.306) 4.668 6.164 ( -0.919 -1.151 -1.331) 1.986 6.234 ( -3.152 -0.456 1.400) 3.479 6.288 ( -5.498 0.035 -5.013) 7.440 6.423 ( 1.167 -0.021 -0.352) 1.219 6.480 ( 1.096 -1.683 3.551) 4.080 6.603 ( -0.926 0.709 2.263) 2.546 6.740 ( -4.514 4.053 0.638) 6.100 6.807 ( 3.986 1.220 -1.827) 4.551 6.841 ( -2.530 0.148 2.026) 3.245 6.926 ( -0.043 1.613 0.624) 1.730 6.999 ( 0.061 -0.088 -1.695) 1.699 7.134 ( -5.273 -1.441 -0.452) 5.485 7.201 ( 4.157 1.616 -1.490) 4.702 7.334 ( 2.688 0.703 -1.977) 3.410 7.406 ( 0.548 0.169 0.336) 0.665 7.455 ( 5.254 -1.575 3.198) 6.349 7.901 ( -7.316 0.545 -3.726) 8.229 7.955 ( 2.136 -5.300 3.044) 6.474 8.554 ( -0.894 0.527 4.352) 4.474 8.802 ( 2.537 5.222 2.763) 6.430 9.044 ( -3.804 4.561 1.989) 6.263 9.075 ( -1.061 1.892 3.079) 3.767 9.272 ( -0.185 -0.805 -2.046) 2.206 9.343 ( 3.274 0.565 0.695) 3.394 9.396 ( 1.176 0.572 3.736) 3.958 9.447 ( 0.268 -1.687 1.714) 2.419 9.723 ( 1.577 -4.636 -0.156) 4.899 9.802 ( 2.344 -10.131 -2.589) 10.716 9.854 ( 0.033 0.743 -1.097) 1.325 10.070 ( -0.988 -0.197 -5.847) 5.933 ======================= Grid point 74 (39/63) ======================= q-point: (-0.20 -0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( -15.644 0.000 10.753) 18.983 0.766 ( -8.880 0.000 19.344) 21.285 1.169 ( -11.377 0.000 24.070) 26.624 1.381 ( -2.708 0.000 0.749) 2.810 1.382 ( 1.026 -0.000 1.329) 1.679 1.498 ( -5.650 0.000 -18.374) 19.223 1.723 ( -0.710 0.000 -12.961) 12.980 1.743 ( -0.488 0.000 1.361) 1.446 1.864 ( -0.280 0.000 2.332) 2.348 1.966 ( -1.917 0.000 -1.794) 2.625 2.008 ( 4.721 -0.000 -4.241) 6.346 2.035 ( 2.551 -0.000 -4.172) 4.890 2.220 ( 4.061 -0.000 5.609) 6.925 2.286 ( 9.972 -0.000 -7.074) 12.226 2.357 ( -3.118 0.000 -0.257) 3.128 2.508 ( -2.999 0.000 -5.903) 6.622 2.532 ( 7.713 -0.000 6.399) 10.022 2.646 ( 3.518 -0.000 -0.823) 3.613 2.695 ( -8.196 0.000 -8.534) 11.833 2.709 ( 0.082 -0.000 -6.533) 6.534 2.821 ( 3.068 -0.000 -9.135) 9.637 2.935 ( 3.026 -0.000 6.548) 7.213 3.015 ( 4.430 -0.000 -3.339) 5.547 3.068 ( -3.168 0.000 4.073) 5.160 3.236 ( 9.114 -0.000 -7.509) 11.809 3.268 ( 4.532 -0.000 -0.278) 4.541 3.289 ( 3.383 -0.000 -7.168) 7.926 3.507 ( -0.648 0.000 4.498) 4.544 3.645 ( 5.124 -0.000 0.874) 5.198 3.732 ( -6.174 0.000 -5.967) 8.586 3.777 ( 3.087 -0.000 -2.540) 3.997 3.849 ( -2.320 0.000 5.337) 5.820 3.850 ( -3.278 0.000 -2.005) 3.842 4.078 ( 6.196 -0.000 -4.093) 7.425 4.087 ( -4.896 0.000 1.058) 5.009 4.126 ( -0.053 0.000 2.591) 2.591 4.166 ( 0.277 -0.000 14.797) 14.799 4.522 ( 0.740 -0.000 -8.262) 8.295 4.668 ( 0.422 -0.000 1.781) 1.830 4.695 ( 3.945 -0.000 0.622) 3.994 4.801 ( 2.213 -0.000 -1.423) 2.631 4.870 ( -5.318 0.000 -1.295) 5.473 4.969 ( 3.007 -0.000 4.736) 5.610 5.115 ( 0.144 -0.000 1.710) 1.716 5.159 ( -3.561 0.000 6.696) 7.584 5.185 ( -6.220 0.000 3.487) 7.131 5.483 ( 3.881 -0.000 3.254) 5.064 5.542 ( -2.168 0.000 4.148) 4.681 5.631 ( -6.574 0.000 -3.005) 7.228 5.757 ( -1.049 0.000 -10.377) 10.430 5.809 ( 0.278 -0.000 3.563) 3.573 5.894 ( 3.581 -0.000 -0.389) 3.602 5.899 ( -4.462 0.000 -0.266) 4.469 5.966 ( 4.818 -0.000 0.579) 4.853 6.143 ( -7.435 0.000 -7.260) 10.392 6.182 ( 0.735 -0.000 -0.443) 0.858 6.228 ( 1.687 -0.000 5.279) 5.542 6.470 ( 5.065 -0.000 -0.246) 5.071 6.486 ( -1.121 0.000 3.873) 4.032 6.611 ( -1.072 0.000 1.704) 2.013 6.715 ( -5.338 0.000 0.278) 5.346 6.805 ( -4.988 0.000 2.422) 5.545 6.848 ( 2.635 -0.000 -3.068) 4.044 6.944 ( 0.735 -0.000 0.104) 0.743 6.997 ( 0.921 -0.000 -0.420) 1.012 7.058 ( -3.335 0.000 -1.748) 3.765 7.246 ( 2.471 -0.000 0.117) 2.474 7.342 ( 0.742 -0.000 -3.309) 3.391 7.427 ( 2.222 -0.000 -0.995) 2.434 7.551 ( 2.705 -0.000 3.489) 4.415 7.798 ( -2.074 0.000 -1.069) 2.333 7.964 ( 0.940 -0.000 4.666) 4.760 8.582 ( 0.514 -0.000 3.347) 3.386 8.903 ( 3.360 -0.000 2.020) 3.921 9.064 ( -7.289 0.000 -4.659) 8.651 9.081 ( -0.819 0.000 2.755) 2.874 9.236 ( -0.182 0.000 -1.727) 1.737 9.404 ( 2.639 -0.000 -0.491) 2.685 9.428 ( -0.173 0.000 0.670) 0.692 9.574 ( 13.142 -0.000 8.459) 15.629 9.602 ( -3.229 0.000 2.422) 4.036 9.721 ( -0.845 0.000 -1.209) 1.475 9.872 ( 1.042 -0.000 1.335) 1.693 10.027 ( 0.415 -0.000 -5.110) 5.127 ======================= Grid point 75 (40/63) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( -0.481 0.000 13.920) 13.928 1.020 ( 3.686 -0.000 9.250) 9.958 1.185 ( -0.418 0.000 6.699) 6.712 1.303 ( -2.935 0.000 2.927) 4.145 1.382 ( -2.182 0.000 -5.548) 5.961 1.501 ( -1.005 0.000 -9.737) 9.789 1.520 ( 0.914 -0.000 -1.711) 1.940 1.650 ( -4.221 0.000 -2.685) 5.002 1.779 ( 7.110 -0.000 -7.959) 10.672 1.872 ( -3.736 0.000 -11.966) 12.536 2.011 ( 3.693 -0.000 4.560) 5.868 2.028 ( -4.009 0.000 -0.186) 4.014 2.122 ( -4.917 0.000 -5.457) 7.345 2.216 ( -5.021 0.000 -6.492) 8.208 2.321 ( -0.090 0.000 1.447) 1.450 2.328 ( 5.966 -0.000 0.904) 6.034 2.629 ( -1.985 0.000 20.582) 20.677 2.690 ( 10.486 -0.000 4.164) 11.282 2.750 ( -4.278 0.000 -2.476) 4.943 2.772 ( -5.213 0.000 -1.724) 5.490 2.846 ( 16.086 -0.000 -3.820) 16.533 2.888 ( -0.989 0.000 0.278) 1.027 3.018 ( 6.238 -0.000 -6.436) 8.963 3.197 ( -0.502 0.000 2.709) 2.755 3.215 ( 2.643 -0.000 -0.662) 2.724 3.275 ( -2.976 0.000 -4.078) 5.048 3.330 ( 1.643 -0.000 0.532) 1.727 3.484 ( -0.933 0.000 -0.412) 1.020 3.538 ( 3.143 -0.000 -1.587) 3.521 3.595 ( -2.014 0.000 -5.881) 6.216 3.731 ( -0.947 0.000 4.722) 4.816 3.918 ( 0.710 -0.000 7.397) 7.431 3.980 ( 1.178 -0.000 4.687) 4.833 4.060 ( 6.877 -0.000 -11.228) 13.167 4.219 ( -3.497 0.000 2.527) 4.314 4.286 ( 5.045 -0.000 -5.378) 7.374 4.321 ( -17.809 0.000 4.250) 18.310 4.337 ( 3.378 -0.000 -0.006) 3.378 4.676 ( -0.345 0.000 -2.515) 2.538 4.708 ( 3.701 -0.000 -4.982) 6.206 4.803 ( -2.499 0.000 8.683) 9.035 4.968 ( -4.256 0.000 -0.208) 4.261 4.981 ( 8.600 -0.000 0.039) 8.600 5.093 ( 1.821 -0.000 -1.967) 2.681 5.172 ( -5.015 0.000 -1.310) 5.183 5.257 ( -3.870 0.000 -4.488) 5.926 5.350 ( -1.121 0.000 5.341) 5.458 5.393 ( 1.853 -0.000 4.506) 4.872 5.604 ( -5.510 0.000 5.598) 7.855 5.667 ( -6.072 0.000 -0.395) 6.085 5.728 ( -3.477 0.000 -5.691) 6.669 5.883 ( 11.123 -0.000 -0.403) 11.130 5.981 ( 0.875 -0.000 -0.462) 0.990 6.001 ( 1.548 -0.000 0.380) 1.594 6.113 ( 3.323 -0.000 -0.117) 3.325 6.171 ( 0.955 -0.000 -0.149) 0.966 6.331 ( -7.752 0.000 2.111) 8.034 6.472 ( 1.479 -0.000 -4.107) 4.366 6.599 ( -2.938 0.000 4.447) 5.330 6.659 ( 0.852 -0.000 -0.125) 0.861 6.687 ( 3.085 -0.000 2.587) 4.026 6.808 ( -0.973 0.000 2.793) 2.958 6.811 ( 2.762 -0.000 -3.406) 4.385 6.903 ( -0.254 0.000 -1.497) 1.519 6.928 ( -2.866 0.000 0.613) 2.931 7.047 ( 3.199 -0.000 -3.004) 4.389 7.307 ( -2.440 0.000 1.637) 2.938 7.341 ( 3.122 -0.000 0.711) 3.202 7.395 ( -3.899 0.000 0.208) 3.905 7.425 ( 0.521 -0.000 -1.410) 1.503 8.024 ( -6.041 0.000 1.502) 6.225 8.072 ( 10.866 -0.000 -0.967) 10.909 8.720 ( 2.325 -0.000 4.250) 4.844 8.786 ( -9.127 0.000 1.118) 9.195 9.064 ( 1.225 -0.000 2.801) 3.057 9.101 ( -2.762 0.000 1.073) 2.963 9.250 ( 1.976 -0.000 1.459) 2.456 9.334 ( -2.015 0.000 -2.591) 3.283 9.387 ( 0.047 -0.000 -0.230) 0.235 9.506 ( -1.412 0.000 -5.563) 5.739 9.705 ( -3.383 0.000 6.783) 7.580 9.909 ( 3.280 -0.000 -2.472) 4.108 9.951 ( 0.491 -0.000 -0.208) 0.534 9.980 ( 6.058 -0.000 -3.259) 6.879 ======================= Grid point 76 (41/63) ======================= q-point: ( 0.20 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 5.598 -0.564 9.252) 10.828 1.096 ( 1.939 0.195 6.341) 6.634 1.239 ( 1.685 0.270 7.418) 7.612 1.271 ( -1.700 2.149 3.194) 4.208 1.366 ( 1.444 -1.815 -2.369) 3.315 1.426 ( -0.256 0.255 -7.526) 7.535 1.539 ( 4.106 2.373 0.810) 4.811 1.630 ( -0.991 -3.981 -4.847) 6.350 1.696 ( -4.930 1.330 -9.516) 10.800 1.843 ( 2.901 -4.097 -6.358) 8.101 1.996 ( -1.542 -1.846 1.319) 2.744 2.038 ( -1.337 -0.762 -1.034) 1.854 2.088 ( 0.269 0.516 3.200) 3.253 2.194 ( 0.617 -4.551 -2.500) 5.229 2.338 ( -2.325 -1.706 1.801) 3.400 2.411 ( 2.941 -3.723 -2.842) 5.530 2.567 ( -10.495 1.054 -4.301) 11.391 2.710 ( -0.197 -1.265 2.168) 2.518 2.750 ( 0.604 -3.636 -3.424) 5.030 2.840 ( -0.323 2.919 3.727) 4.745 2.931 ( 4.870 -0.386 2.663) 5.564 3.011 ( 13.009 0.597 5.694) 14.213 3.058 ( -0.047 -0.981 -3.846) 3.969 3.150 ( -1.414 3.743 -1.017) 4.129 3.206 ( 0.789 0.398 -7.385) 7.438 3.247 ( 5.457 -0.154 -1.447) 5.648 3.357 ( -0.374 -0.599 4.434) 4.490 3.448 ( -1.575 0.572 -0.278) 1.698 3.529 ( -3.512 -0.944 -7.456) 8.295 3.633 ( 8.849 0.407 -1.832) 9.046 3.778 ( 1.533 0.334 3.475) 3.813 3.844 ( -6.630 10.197 5.004) 13.152 3.977 ( -1.581 7.275 -0.689) 7.476 4.030 ( 6.014 4.313 -7.429) 10.486 4.061 ( -8.392 0.510 2.819) 8.868 4.209 ( 0.120 -0.188 4.618) 4.624 4.294 ( -6.233 -4.070 -5.297) 9.137 4.442 ( 8.670 0.741 4.451) 9.774 4.520 ( -5.049 9.393 -3.529) 11.233 4.589 ( 2.238 9.910 -4.355) 11.054 4.907 ( -3.428 -2.141 4.404) 5.978 4.949 ( -4.184 -5.806 1.838) 7.389 5.044 ( 2.743 -0.268 1.249) 3.026 5.120 ( -8.016 -8.701 -2.658) 12.126 5.188 ( -1.223 -2.909 0.499) 3.195 5.299 ( 8.477 -4.311 0.897) 9.553 5.411 ( -0.394 -0.432 4.235) 4.275 5.431 ( 3.642 -0.152 2.900) 4.658 5.569 ( -1.599 1.401 0.522) 2.189 5.646 ( -1.355 -3.133 1.306) 3.655 5.695 ( -1.178 -3.512 -0.969) 3.829 5.904 ( -3.729 1.520 2.630) 4.810 6.012 ( -0.432 -0.677 -1.044) 1.318 6.074 ( 11.139 1.487 -3.302) 11.713 6.131 ( -0.420 -0.143 -2.470) 2.509 6.173 ( 2.417 -0.728 -3.127) 4.019 6.277 ( -5.764 -3.109 6.319) 9.101 6.488 ( 0.604 -1.257 -2.106) 2.526 6.560 ( -4.141 1.367 2.678) 5.118 6.635 ( -0.808 1.145 -0.853) 1.641 6.728 ( -1.307 0.781 2.729) 3.125 6.782 ( 3.594 2.725 -0.118) 4.512 6.858 ( -0.638 -0.141 -0.914) 1.123 6.896 ( 2.001 -0.800 -1.394) 2.567 6.916 ( 0.304 -0.404 0.460) 0.683 7.068 ( 3.560 -0.397 -2.940) 4.634 7.269 ( -3.880 0.989 0.979) 4.122 7.348 ( -0.521 1.812 0.701) 2.011 7.404 ( 2.750 -1.040 2.461) 3.834 7.419 ( -0.123 -0.229 -1.899) 1.916 7.940 ( -8.160 -0.303 -0.383) 8.174 8.164 ( 8.126 2.656 -2.400) 8.879 8.679 ( -7.074 1.463 3.130) 7.872 8.773 ( 2.035 0.990 5.263) 5.728 9.063 ( -4.120 -0.026 0.827) 4.202 9.091 ( 0.130 -0.151 2.523) 2.531 9.285 ( 0.581 0.207 0.338) 0.704 9.291 ( -0.483 0.081 -1.027) 1.138 9.394 ( 0.219 -0.527 2.064) 2.142 9.459 ( -1.840 -0.835 -4.654) 5.074 9.703 ( -2.790 -0.077 5.856) 6.487 9.904 ( 0.527 1.511 -3.680) 4.013 9.948 ( 0.595 -0.027 -2.849) 2.911 10.027 ( 5.141 0.597 -3.438) 6.213 ======================= Grid point 77 (42/63) ======================= q-point: (-0.60 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( -4.962 5.939 0.777) 7.778 1.214 ( -3.977 -0.882 1.710) 4.418 1.270 ( 3.742 -4.343 -5.716) 8.096 1.334 ( 0.101 1.306 -0.249) 1.334 1.348 ( 3.394 -2.731 10.516) 11.382 1.432 ( -2.906 4.049 -5.954) 7.765 1.497 ( 2.462 -2.669 0.007) 3.631 1.547 ( 3.701 4.703 3.339) 6.853 1.852 ( 1.453 -10.873 -0.579) 10.985 1.905 ( 2.939 -5.478 1.073) 6.308 2.026 ( -2.275 -0.561 1.377) 2.718 2.044 ( 1.744 -1.926 -2.484) 3.595 2.122 ( 1.845 -0.043 3.482) 3.941 2.268 ( -0.182 -3.760 -1.286) 3.978 2.292 ( -2.791 0.530 4.086) 4.976 2.466 ( 2.392 -2.887 -6.524) 7.524 2.510 ( 0.620 -5.337 -8.111) 9.729 2.697 ( 1.256 6.332 -1.851) 6.716 2.768 ( -1.655 2.942 2.317) 4.095 2.781 ( 0.343 -0.245 -3.817) 3.840 2.881 ( -4.453 4.278 -5.927) 8.560 2.967 ( 0.851 2.818 -4.247) 5.167 3.063 ( 1.656 6.552 -4.725) 8.246 3.143 ( 0.606 2.842 -2.021) 3.539 3.223 ( -3.483 -0.103 5.151) 6.219 3.296 ( 2.519 1.668 -3.195) 4.397 3.374 ( -1.654 -4.206 4.489) 6.370 3.448 ( -1.045 1.318 3.334) 3.734 3.480 ( 1.576 -3.528 1.493) 4.143 3.661 ( -1.050 -1.054 -1.255) 1.946 3.724 ( 2.385 3.771 0.320) 4.474 3.768 ( 3.503 2.612 1.682) 4.682 3.880 ( 0.897 4.016 0.084) 4.115 3.958 ( -1.792 2.333 -2.736) 4.018 4.111 ( 11.936 0.552 0.517) 11.960 4.197 ( -7.285 -2.759 -5.114) 9.319 4.295 ( 1.348 -2.666 0.228) 2.996 4.309 ( -7.057 3.176 -3.760) 8.604 4.438 ( 0.544 8.165 -1.700) 8.357 4.606 ( 5.234 -0.524 8.067) 9.630 4.833 ( -3.786 -0.018 1.296) 4.002 5.025 ( -0.803 -0.496 4.516) 4.614 5.105 ( 1.824 -1.679 1.750) 3.034 5.131 ( -4.886 -5.099 -0.932) 7.124 5.193 ( -2.256 -1.434 -1.994) 3.335 5.346 ( -1.272 1.219 -3.601) 4.008 5.478 ( -1.697 -0.164 5.647) 5.898 5.514 ( 4.085 -3.877 3.133) 6.445 5.578 ( 5.333 -1.213 -4.524) 7.097 5.687 ( -1.533 -1.081 2.182) 2.877 5.760 ( 0.265 -3.268 2.485) 4.114 5.862 ( -2.496 -0.039 4.266) 4.943 5.996 ( -2.991 -1.098 -1.043) 3.352 6.044 ( 0.451 3.464 -2.331) 4.199 6.154 ( 0.532 -1.336 -0.311) 1.471 6.225 ( 6.256 0.864 -6.545) 9.095 6.336 ( -0.885 -2.580 7.654) 8.126 6.457 ( -1.949 1.947 -0.384) 2.782 6.527 ( -3.289 -1.830 1.175) 3.943 6.613 ( -1.132 0.003 -0.522) 1.246 6.687 ( 1.266 3.671 -0.001) 3.884 6.799 ( 1.029 1.006 1.464) 2.053 6.822 ( -3.502 -0.753 -0.412) 3.606 6.901 ( 2.029 0.700 -1.137) 2.429 6.967 ( 3.097 -1.151 -1.748) 3.738 7.124 ( 4.861 -2.069 -1.501) 5.492 7.194 ( -5.111 2.149 0.790) 5.600 7.326 ( -0.035 1.122 0.884) 1.429 7.398 ( -0.847 0.236 -1.467) 1.711 7.492 ( 4.352 -1.792 2.705) 5.428 7.829 ( -7.756 0.146 -1.958) 8.000 8.163 ( 3.013 4.521 -1.713) 5.697 8.628 ( -2.301 0.370 3.571) 4.264 8.812 ( 0.482 0.367 5.334) 5.368 9.017 ( -3.831 -0.358 0.609) 3.895 9.108 ( -0.378 -0.411 2.095) 2.168 9.262 ( -0.807 0.039 -1.035) 1.313 9.309 ( 1.326 -0.109 0.285) 1.361 9.420 ( -1.726 -0.671 -3.406) 3.877 9.445 ( 0.584 -2.276 4.749) 5.299 9.724 ( -0.482 -1.096 3.851) 4.033 9.838 ( -1.193 2.608 -4.268) 5.142 9.928 ( 0.700 0.498 -4.386) 4.470 10.043 ( 4.358 2.324 -3.678) 6.158 ======================= Grid point 78 (43/63) ======================= q-point: (-0.40 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -4.864 3.306 5.280) 7.904 1.141 ( -6.483 -1.171 -11.870) 13.576 1.220 ( -3.367 -0.436 2.016) 3.948 1.312 ( -2.568 1.536 0.857) 3.113 1.429 ( -3.400 -0.358 1.531) 3.746 1.476 ( 2.985 -4.921 1.426) 5.930 1.532 ( 0.777 -4.756 -2.020) 5.225 1.649 ( 7.166 1.012 10.496) 12.749 1.922 ( -0.281 -1.526 1.650) 2.265 1.939 ( -2.879 7.381 -2.452) 8.293 2.032 ( 0.382 1.063 -0.323) 1.174 2.084 ( -0.354 -3.173 0.291) 3.206 2.113 ( 2.187 1.468 0.679) 2.720 2.267 ( -1.700 -2.552 -5.286) 6.111 2.402 ( 8.364 -0.090 3.344) 9.008 2.465 ( -1.809 2.489 -1.383) 3.374 2.526 ( 4.311 3.548 -6.362) 8.465 2.585 ( -2.191 -0.076 -8.962) 9.226 2.726 ( 2.762 -0.850 -3.535) 4.566 2.736 ( 1.864 3.487 -2.593) 4.729 2.823 ( 0.572 -2.657 3.092) 4.117 2.866 ( -3.126 4.847 0.208) 5.772 3.025 ( -2.417 2.629 1.987) 4.087 3.055 ( -0.121 -0.744 -5.355) 5.408 3.160 ( -1.053 1.329 4.860) 5.147 3.256 ( 4.012 5.024 -4.490) 7.842 3.427 ( -0.517 2.843 3.149) 4.275 3.509 ( 2.243 -5.670 -1.595) 6.303 3.584 ( 2.398 -4.253 1.061) 4.996 3.660 ( -4.907 -1.947 1.656) 5.533 3.682 ( -0.117 1.032 1.838) 2.111 3.837 ( -3.923 1.331 -3.868) 5.668 3.879 ( 9.068 -1.530 1.593) 9.333 3.958 ( 4.964 -1.100 -0.378) 5.099 4.112 ( -5.262 -1.420 -0.339) 5.461 4.182 ( -6.049 -0.226 -2.840) 6.686 4.254 ( 0.507 -1.695 -3.975) 4.351 4.294 ( 5.884 -3.467 0.304) 6.836 4.468 ( 3.000 -5.485 1.960) 6.552 4.658 ( 0.278 0.135 3.664) 3.677 4.857 ( 0.891 2.453 6.414) 6.925 5.020 ( 0.024 4.516 0.164) 4.519 5.109 ( -4.432 -1.864 -2.977) 5.655 5.144 ( -0.164 0.046 0.505) 0.533 5.166 ( 4.882 2.489 1.619) 5.714 5.287 ( -5.274 -3.560 -4.873) 8.014 5.473 ( -1.392 3.030 2.055) 3.917 5.587 ( 1.265 0.499 -2.285) 2.659 5.611 ( -1.506 -2.173 1.896) 3.254 5.696 ( 0.140 0.410 3.472) 3.499 5.783 ( -4.046 -2.414 1.466) 4.934 5.895 ( 3.250 2.113 2.697) 4.722 5.950 ( -6.607 -1.379 -0.793) 6.796 6.013 ( 2.864 1.969 -0.252) 3.484 6.138 ( -1.026 3.364 -1.758) 3.932 6.201 ( 3.104 3.063 -4.334) 6.148 6.372 ( -0.263 2.498 5.137) 5.718 6.450 ( -0.077 -2.341 3.374) 4.107 6.546 ( -0.659 -3.266 0.304) 3.345 6.600 ( -1.206 -0.728 -0.612) 1.536 6.658 ( 0.360 2.168 -0.003) 2.198 6.790 ( -0.352 -0.046 -0.211) 0.413 6.821 ( -1.126 -1.754 0.403) 2.123 6.919 ( 2.049 -0.716 -0.474) 2.222 6.983 ( 1.539 0.940 -2.950) 3.458 7.090 ( -5.494 2.620 0.444) 6.103 7.220 ( 4.837 -2.309 -0.414) 5.376 7.325 ( 0.160 0.314 0.518) 0.626 7.383 ( -0.429 -0.982 -0.838) 1.360 7.559 ( -1.952 -0.475 0.248) 2.024 7.772 ( 2.324 -1.437 0.513) 2.780 8.114 ( -0.027 3.425 0.822) 3.522 8.638 ( 0.194 -0.140 2.698) 2.708 8.851 ( -2.969 -3.436 4.022) 6.066 8.994 ( -0.861 -0.019 1.223) 1.496 9.120 ( -0.567 -0.329 1.543) 1.677 9.244 ( -0.201 0.997 -0.327) 1.068 9.340 ( 1.225 -1.665 -0.352) 2.097 9.391 ( -1.252 -0.794 -2.780) 3.150 9.528 ( 0.375 -2.865 5.385) 6.112 9.721 ( -0.700 2.719 -2.917) 4.048 9.810 ( 1.613 -2.036 1.372) 2.938 9.901 ( 2.018 1.140 -4.639) 5.186 10.018 ( 2.890 4.029 -2.959) 5.774 ======================= Grid point 79 (44/63) ======================= q-point: (-0.20 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -4.200 -0.912 11.231) 12.025 1.010 ( -3.857 4.209 0.399) 5.723 1.161 ( -2.956 1.491 4.954) 5.958 1.341 ( -5.818 -2.442 3.330) 7.134 1.371 ( -0.812 -3.260 -1.195) 3.566 1.553 ( -4.001 -4.775 -6.337) 8.886 1.567 ( 1.859 -0.092 -4.349) 4.730 1.699 ( 1.161 1.701 -8.320) 8.571 1.825 ( 1.728 5.783 1.421) 6.201 1.927 ( 2.259 2.840 4.808) 6.024 1.965 ( -1.745 -0.016 -5.822) 6.078 2.070 ( -3.301 0.258 2.225) 3.990 2.189 ( 3.981 -1.512 -2.170) 4.779 2.247 ( -1.621 -1.525 -3.053) 3.779 2.349 ( -1.560 3.878 0.528) 4.213 2.387 ( -5.965 3.865 -9.697) 12.023 2.486 ( 7.669 3.333 7.535) 11.256 2.642 ( 11.854 -1.905 -3.370) 12.470 2.693 ( 3.611 6.990 -0.415) 7.879 2.766 ( 2.852 2.345 2.997) 4.756 2.817 ( 0.604 0.614 1.856) 2.046 2.905 ( -3.842 -2.298 0.564) 4.512 2.990 ( 1.718 -3.412 -2.277) 4.448 3.146 ( 3.248 -6.870 -0.074) 7.600 3.177 ( -0.835 -0.661 3.963) 4.103 3.212 ( 3.466 2.333 -1.820) 4.558 3.387 ( 1.060 4.812 -0.529) 4.956 3.512 ( -3.139 -1.272 -5.169) 6.180 3.598 ( -6.119 0.320 0.383) 6.139 3.671 ( 0.391 -0.781 -2.626) 2.768 3.706 ( -1.317 3.364 4.073) 5.444 3.831 ( 4.122 -7.856 1.195) 8.952 3.913 ( -1.463 -0.083 1.611) 2.178 4.030 ( 2.590 0.017 -0.139) 2.594 4.158 ( 5.126 -4.486 -4.079) 7.940 4.178 ( 4.161 -3.397 0.316) 5.381 4.291 ( -5.187 -7.377 0.790) 9.053 4.430 ( 1.878 -3.283 1.759) 4.171 4.600 ( 0.763 -8.394 -3.417) 9.095 4.686 ( -2.673 -2.075 1.151) 3.574 4.833 ( -2.716 3.932 4.838) 6.800 4.910 ( 6.394 7.010 -0.673) 9.511 5.047 ( -1.652 3.790 -1.028) 4.261 5.139 ( 3.790 5.568 -0.283) 6.742 5.218 ( -3.476 -3.298 -1.741) 5.098 5.278 ( -0.670 -4.035 2.632) 4.864 5.403 ( -2.725 4.000 2.363) 5.386 5.454 ( -6.598 5.464 -5.459) 10.158 5.644 ( -2.551 1.079 2.220) 3.550 5.731 ( 4.882 -0.543 2.623) 5.568 5.766 ( -5.189 -0.838 2.170) 5.686 5.821 ( -6.239 0.290 -4.180) 7.516 5.951 ( 3.670 0.686 1.520) 4.032 6.033 ( -1.606 2.067 -0.996) 2.801 6.058 ( 4.989 2.489 0.595) 5.607 6.176 ( 1.114 1.503 -1.684) 2.517 6.373 ( -2.240 -0.390 3.001) 3.765 6.501 ( 1.332 0.457 -1.073) 1.770 6.585 ( -2.172 -0.429 3.335) 4.003 6.605 ( 1.893 -2.891 0.336) 3.472 6.647 ( 2.086 0.605 0.336) 2.198 6.801 ( -2.327 -1.735 1.933) 3.487 6.820 ( 0.453 0.361 -1.600) 1.702 6.929 ( -1.236 0.823 -1.600) 2.183 6.965 ( -1.115 0.303 -0.139) 1.163 7.023 ( 1.205 0.195 -1.909) 2.266 7.292 ( 3.028 -0.936 0.136) 3.172 7.320 ( -0.831 0.193 1.178) 1.455 7.403 ( -0.106 -2.022 -0.828) 2.187 7.480 ( -5.311 1.341 -1.382) 5.649 7.913 ( 10.452 -2.369 1.333) 10.800 8.075 ( -2.601 1.349 2.291) 3.720 8.669 ( 1.371 -0.356 2.903) 3.230 8.862 ( -7.955 -4.092 0.980) 8.999 9.020 ( 2.370 -0.055 2.740) 3.624 9.120 ( -1.365 0.046 1.170) 1.798 9.231 ( 0.944 1.010 0.484) 1.465 9.360 ( -0.843 -1.211 -2.347) 2.772 9.383 ( 0.076 -0.961 -1.027) 1.409 9.562 ( -1.011 0.264 -3.122) 3.292 9.686 ( -1.681 -0.847 4.734) 5.095 9.878 ( 4.844 1.441 -0.135) 5.055 9.905 ( 3.463 -2.025 -2.869) 4.932 9.973 ( 1.794 3.201 -1.424) 3.936 ======================= Grid point 81 (45/63) ======================= q-point: ( 0.20 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 3.711 -0.000 -6.322) 7.331 1.164 ( 5.533 -0.000 -0.914) 5.608 1.188 ( -3.930 0.000 -0.630) 3.980 1.317 ( 2.719 -0.000 7.784) 8.245 1.388 ( 2.953 -0.000 2.629) 3.954 1.460 ( 5.424 -0.000 1.704) 5.686 1.542 ( 0.506 -0.000 -3.347) 3.385 1.634 ( -0.755 0.000 -4.347) 4.412 1.645 ( 2.393 -0.000 8.245) 8.585 1.793 ( -0.842 0.000 -2.660) 2.791 1.982 ( -1.023 0.000 2.718) 2.904 2.025 ( -0.245 0.000 2.551) 2.562 2.110 ( -0.240 0.000 3.145) 3.154 2.179 ( 4.621 -0.000 4.616) 6.532 2.283 ( -8.394 0.000 0.599) 8.416 2.370 ( -1.281 0.000 -2.676) 2.967 2.446 ( 1.376 -0.000 -9.817) 9.913 2.660 ( 0.239 -0.000 -11.664) 11.667 2.709 ( 2.370 -0.000 -2.538) 3.472 2.900 ( 2.512 -0.000 0.324) 2.533 2.958 ( -7.097 0.000 -8.262) 10.892 2.970 ( 0.637 -0.000 -1.458) 1.591 3.163 ( 0.574 -0.000 7.668) 7.690 3.197 ( 6.898 -0.000 -8.537) 10.976 3.224 ( -3.063 0.000 -4.171) 5.175 3.280 ( 2.583 -0.000 -0.117) 2.586 3.314 ( -1.607 0.000 6.626) 6.818 3.411 ( 1.431 -0.000 -4.882) 5.088 3.493 ( 0.217 -0.000 4.556) 4.561 3.767 ( -19.987 0.000 5.684) 20.779 3.786 ( 12.716 -0.000 -3.252) 13.126 3.847 ( 3.419 -0.000 0.388) 3.441 3.949 ( -2.108 0.000 -6.065) 6.421 4.073 ( 4.150 -0.000 0.378) 4.167 4.086 ( 4.694 -0.000 -6.815) 8.276 4.159 ( -7.275 0.000 -3.195) 7.946 4.232 ( -2.016 0.000 7.537) 7.802 4.556 ( -4.254 0.000 -1.011) 4.373 4.584 ( 5.922 -0.000 4.252) 7.290 4.666 ( -0.845 0.000 -0.342) 0.912 4.799 ( -3.033 0.000 -1.910) 3.585 4.901 ( -0.236 0.000 5.851) 5.856 4.935 ( -6.278 0.000 0.581) 6.305 5.065 ( -0.686 0.000 -2.364) 2.461 5.233 ( 5.517 -0.000 5.778) 7.989 5.343 ( 6.077 -0.000 1.885) 6.362 5.444 ( 0.605 -0.000 3.071) 3.130 5.465 ( -0.136 0.000 -1.501) 1.508 5.588 ( -1.795 0.000 0.706) 1.929 5.621 ( -0.825 0.000 0.135) 0.836 5.661 ( 5.785 -0.000 1.071) 5.883 5.852 ( -8.064 0.000 3.247) 8.693 5.985 ( -2.217 0.000 -0.701) 2.326 6.098 ( -4.076 0.000 -1.350) 4.294 6.121 ( -0.537 0.000 -0.554) 0.772 6.247 ( 15.253 -0.000 -9.113) 17.768 6.275 ( 0.803 -0.000 7.664) 7.706 6.463 ( -1.356 0.000 -0.820) 1.584 6.527 ( -4.380 0.000 0.993) 4.491 6.636 ( 1.072 -0.000 -1.488) 1.834 6.726 ( -4.064 0.000 5.129) 6.544 6.825 ( 0.536 -0.000 -3.407) 3.449 6.862 ( 0.855 -0.000 2.194) 2.355 6.917 ( 3.407 -0.000 -3.054) 4.576 6.926 ( 2.451 -0.000 -0.326) 2.473 7.085 ( 3.114 -0.000 -2.376) 3.917 7.229 ( -4.904 0.000 1.313) 5.076 7.366 ( -0.768 0.000 1.958) 2.103 7.397 ( -0.679 0.000 -2.540) 2.629 7.452 ( 3.530 -0.000 2.708) 4.449 7.828 ( -8.370 0.000 -0.301) 8.376 8.236 ( 3.655 -0.000 -5.056) 6.239 8.639 ( -3.473 0.000 3.638) 5.030 8.834 ( -0.975 0.000 6.838) 6.907 9.014 ( -3.490 0.000 0.431) 3.517 9.101 ( -0.520 0.000 2.191) 2.252 9.252 ( -1.449 0.000 -2.106) 2.556 9.320 ( 1.167 -0.000 1.304) 1.750 9.405 ( -0.190 0.000 3.214) 3.219 9.407 ( -1.295 0.000 -3.197) 3.450 9.699 ( -3.298 0.000 6.024) 6.868 9.895 ( -0.767 0.000 -2.793) 2.897 9.923 ( 0.104 -0.000 -5.592) 5.593 10.066 ( 4.570 -0.000 -4.974) 6.755 ======================= Grid point 82 (46/63) ======================= q-point: (-0.60 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -6.243 1.992 -9.051) 11.174 1.153 ( 2.898 7.429 -0.797) 8.014 1.223 ( 2.647 -1.075 -5.494) 6.193 1.365 ( 0.679 2.183 4.321) 4.889 1.426 ( -1.195 0.699 1.431) 1.991 1.516 ( 1.781 7.808 3.035) 8.564 1.562 ( 3.537 5.593 6.162) 9.042 1.693 ( 5.678 -9.059 3.699) 11.313 1.747 ( 4.030 -3.665 6.527) 8.501 1.854 ( 3.164 -7.823 2.672) 8.851 1.995 ( -1.798 -2.252 -0.308) 2.898 2.051 ( 1.636 0.527 3.784) 4.156 2.142 ( -3.996 0.109 2.890) 4.933 2.235 ( 3.872 -1.154 3.374) 5.264 2.298 ( 1.017 -1.668 2.014) 2.806 2.362 ( 0.361 -5.668 -1.545) 5.886 2.434 ( 1.858 -3.942 -9.734) 10.665 2.611 ( 1.297 -1.478 -10.663) 10.843 2.733 ( 1.734 -1.983 -6.355) 6.879 2.797 ( -4.504 2.253 -12.595) 13.565 2.898 ( 2.164 4.821 -1.028) 5.384 2.927 ( -4.928 -1.188 -6.498) 8.241 3.031 ( -9.505 0.354 -1.961) 9.711 3.147 ( -3.027 2.252 -4.377) 5.779 3.197 ( -2.305 -1.770 -3.654) 4.669 3.316 ( 1.793 -0.856 -0.302) 2.009 3.416 ( 5.125 1.211 8.967) 10.399 3.441 ( 2.619 1.302 -2.100) 3.601 3.537 ( -1.365 0.961 10.900) 11.027 3.588 ( -5.805 -0.877 0.866) 5.934 3.826 ( -1.081 5.801 1.480) 6.083 3.851 ( -0.599 0.545 -2.688) 2.807 3.929 ( 11.704 1.673 -5.626) 13.093 4.018 ( -9.813 -0.493 -4.291) 10.722 4.064 ( 4.668 3.839 -1.929) 6.344 4.161 ( -0.423 -3.411 -1.746) 3.855 4.258 ( 0.657 1.198 3.550) 3.804 4.387 ( -1.055 8.189 0.775) 8.293 4.556 ( -0.484 9.906 -1.959) 10.109 4.713 ( -2.815 -1.908 -0.815) 3.496 4.794 ( 4.732 -2.868 7.753) 9.525 4.967 ( 1.158 -2.958 0.800) 3.276 4.993 ( -1.568 -7.402 2.421) 7.944 5.075 ( -1.006 -4.041 -0.408) 4.184 5.291 ( 6.751 5.698 5.440) 10.374 5.324 ( -2.807 5.024 -5.584) 8.019 5.473 ( -2.204 -3.026 -0.101) 3.745 5.516 ( 0.337 -2.499 5.312) 5.880 5.588 ( 2.062 -1.453 1.323) 2.848 5.662 ( -0.498 -3.310 2.755) 4.335 5.714 ( -1.948 -0.672 0.170) 2.068 5.805 ( -5.005 -5.046 1.176) 7.204 5.949 ( -0.983 0.817 -0.163) 1.289 6.058 ( 0.660 1.627 -0.883) 1.966 6.135 ( -0.042 -2.246 -0.047) 2.247 6.323 ( 8.867 2.511 -8.271) 12.383 6.358 ( 1.419 -1.595 6.191) 6.549 6.453 ( -0.481 -0.593 -0.886) 1.170 6.477 ( -3.068 0.938 2.064) 3.815 6.626 ( 0.629 1.706 0.212) 1.831 6.720 ( -3.780 -1.977 3.496) 5.516 6.790 ( 1.346 3.975 -2.059) 4.674 6.847 ( -0.037 2.183 0.744) 2.307 6.945 ( 4.130 0.353 -2.609) 4.898 6.963 ( 1.802 -0.941 -2.064) 2.897 7.134 ( 4.021 -2.546 -1.220) 4.914 7.159 ( -6.050 1.389 1.531) 6.394 7.348 ( -0.892 1.332 0.057) 1.604 7.376 ( -1.071 -0.109 -0.786) 1.333 7.518 ( 0.702 -1.577 2.661) 3.171 7.744 ( -3.602 -0.395 0.251) 3.632 8.199 ( -1.149 1.699 -4.747) 5.171 8.645 ( 0.809 0.399 2.680) 2.828 8.820 ( -6.524 0.406 5.486) 8.534 9.002 ( 0.646 0.310 1.755) 1.896 9.110 ( -0.401 -0.224 1.893) 1.947 9.237 ( -0.335 -1.018 -1.191) 1.602 9.326 ( -0.088 0.462 0.597) 0.760 9.377 ( -1.068 0.035 -1.798) 2.091 9.444 ( -0.253 -2.156 4.526) 5.020 9.717 ( -1.579 -1.921 5.445) 5.986 9.833 ( -1.067 2.976 -5.168) 6.058 9.896 ( -0.132 -1.096 -4.742) 4.868 10.079 ( 3.347 0.191 -6.053) 6.920 ======================= Grid point 83 (47/63) ======================= q-point: (-0.40 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -2.183 -0.970 1.653) 2.905 1.073 ( 3.106 8.927 1.333) 9.545 1.208 ( -0.901 2.750 -0.141) 2.897 1.290 ( -3.671 0.442 -0.456) 3.726 1.380 ( -4.135 0.111 1.628) 4.445 1.503 ( 0.584 6.130 0.155) 6.159 1.559 ( 4.883 1.183 4.418) 6.691 1.803 ( 2.990 1.743 7.441) 8.207 1.901 ( -1.457 -2.543 -4.386) 5.275 2.004 ( -1.100 4.988 -3.324) 6.094 2.031 ( 1.750 -2.848 -0.585) 3.394 2.043 ( 1.946 -1.421 1.958) 3.105 2.154 ( 4.887 -3.435 2.586) 6.509 2.215 ( 0.832 2.399 -3.325) 4.184 2.424 ( -3.885 -1.823 -8.548) 9.564 2.444 ( 1.360 -9.728 0.306) 9.827 2.523 ( 7.456 -4.706 4.441) 9.872 2.565 ( -4.208 2.069 -2.432) 5.283 2.669 ( -2.518 -5.749 -1.586) 6.474 2.718 ( 6.469 1.821 -9.070) 11.288 2.815 ( -1.977 0.026 -0.786) 2.128 2.869 ( -1.365 0.466 -2.020) 2.482 2.977 ( -1.107 -1.390 -4.778) 5.098 3.093 ( 1.813 0.911 3.503) 4.048 3.175 ( -4.212 -2.072 -0.882) 4.776 3.320 ( 2.969 2.464 -5.112) 6.405 3.419 ( -3.006 -0.026 2.443) 3.874 3.459 ( 0.758 -0.976 -0.597) 1.373 3.580 ( -2.072 1.591 5.794) 6.356 3.622 ( 4.870 -3.795 -0.825) 6.229 3.709 ( -3.230 5.862 1.852) 6.944 3.818 ( -0.401 1.379 -3.013) 3.338 3.890 ( -8.159 -1.260 -1.663) 8.422 4.010 ( -5.767 0.532 -3.667) 6.855 4.061 ( 9.840 -1.072 -1.594) 10.026 4.137 ( 4.722 3.611 5.018) 7.780 4.278 ( -0.900 6.190 1.846) 6.522 4.324 ( 4.490 -2.574 -7.415) 9.043 4.434 ( -1.654 0.528 0.094) 1.739 4.707 ( -0.339 1.137 -0.446) 1.267 4.910 ( -1.281 -0.272 5.261) 5.422 5.010 ( -1.408 -4.202 -0.981) 4.539 5.096 ( 2.256 -4.207 -0.189) 4.778 5.107 ( -1.227 0.221 3.515) 3.730 5.190 ( 2.163 3.622 -2.466) 4.886 5.342 ( 6.743 4.603 3.906) 9.050 5.453 ( -5.517 -1.338 0.793) 5.732 5.562 ( -3.850 1.335 -2.179) 4.620 5.599 ( 1.578 -2.291 3.625) 4.569 5.698 ( -1.969 -1.348 3.266) 4.045 5.753 ( 1.093 -1.722 2.829) 3.488 5.785 ( -9.020 -3.408 -0.781) 9.674 5.975 ( 4.466 -0.548 -1.029) 4.616 6.037 ( -0.103 0.335 -2.223) 2.250 6.166 ( 1.367 0.176 0.906) 1.649 6.288 ( 3.047 5.696 -6.223) 8.970 6.395 ( -2.901 -0.765 0.967) 3.152 6.452 ( -0.344 -1.106 2.351) 2.621 6.490 ( 0.453 -1.288 5.568) 5.733 6.629 ( 2.903 1.430 0.757) 3.324 6.720 ( -2.222 -0.294 1.252) 2.567 6.724 ( -0.793 2.200 -1.597) 2.832 6.839 ( 1.890 1.003 0.059) 2.140 6.943 ( 0.604 2.092 -1.606) 2.706 6.990 ( 3.573 -1.072 -2.973) 4.770 7.059 ( -6.271 2.452 0.921) 6.796 7.233 ( 4.521 -3.181 -0.840) 5.591 7.319 ( -1.997 -0.257 -0.749) 2.148 7.367 ( 0.007 0.106 0.776) 0.783 7.503 ( -5.035 0.049 -0.180) 5.038 7.809 ( 6.470 -3.705 2.977) 8.028 8.123 ( -3.127 1.271 -2.732) 4.343 8.668 ( 1.735 0.617 1.910) 2.654 8.762 ( -7.790 -1.400 3.821) 8.789 9.029 ( 1.893 0.570 2.850) 3.469 9.118 ( -0.910 -0.019 1.584) 1.827 9.250 ( 0.555 -0.594 0.033) 0.814 9.321 ( -0.739 -0.552 -1.246) 1.550 9.363 ( 0.101 -0.166 0.324) 0.378 9.509 ( -0.974 -3.121 3.827) 5.033 9.737 ( -0.705 3.347 -4.151) 5.379 9.790 ( 1.235 -4.141 3.255) 5.410 9.888 ( 0.519 -1.222 -3.753) 3.981 10.062 ( 2.033 1.284 -6.307) 6.750 ======================= Grid point 84 (48/63) ======================= q-point: (-0.20 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 2.293 3.759 10.675) 11.547 1.012 ( 1.933 1.389 6.417) 6.844 1.207 ( -0.132 2.159 4.893) 5.349 1.231 ( -6.897 -3.635 4.729) 9.118 1.366 ( 0.042 0.245 0.738) 0.779 1.456 ( 2.221 -0.105 -4.875) 5.358 1.568 ( 1.177 3.580 -6.067) 7.142 1.733 ( -0.921 5.839 -3.710) 6.979 1.821 ( -4.485 -0.448 -13.056) 13.812 1.944 ( 1.951 5.570 -4.642) 7.508 2.002 ( 1.896 0.542 3.277) 3.824 2.050 ( -2.232 1.189 -0.103) 2.531 2.137 ( -3.699 3.245 -1.209) 5.067 2.260 ( 0.907 0.326 -3.660) 3.785 2.367 ( 1.775 0.543 -1.907) 2.661 2.441 ( 1.135 4.935 2.488) 5.642 2.598 ( -2.242 -7.425 0.715) 7.789 2.688 ( 4.115 -1.524 4.456) 6.254 2.738 ( 3.351 -1.523 -5.123) 6.308 2.792 ( -0.463 -2.049 3.238) 3.859 2.825 ( 3.152 -3.556 -1.320) 4.932 2.930 ( 2.240 0.628 4.802) 5.336 2.994 ( 8.942 -3.357 -0.800) 9.585 3.108 ( -2.542 -0.501 2.629) 3.691 3.172 ( 0.779 -0.827 -0.237) 1.161 3.262 ( 2.399 2.690 -4.562) 5.814 3.409 ( -3.106 3.137 0.014) 4.414 3.450 ( -1.029 0.380 -0.450) 1.186 3.556 ( -1.765 -2.686 -0.333) 3.231 3.656 ( 0.640 1.449 -6.898) 7.078 3.707 ( -1.125 -6.535 2.208) 6.989 3.786 ( 1.245 2.911 1.705) 3.596 3.864 ( 1.809 -5.395 -1.128) 5.801 3.935 ( -8.614 -8.021 -1.251) 11.836 4.123 ( -1.131 0.742 -0.460) 1.429 4.194 ( 1.593 1.928 5.140) 5.716 4.285 ( 8.045 -0.474 5.032) 9.501 4.394 ( 4.592 -4.067 -7.532) 9.714 4.447 ( -2.361 -6.296 -3.949) 7.798 4.593 ( -7.548 2.236 -6.045) 9.925 4.915 ( 0.938 1.542 5.380) 5.674 5.004 ( -5.843 -2.534 -1.491) 6.541 5.079 ( -0.725 3.998 3.696) 5.492 5.180 ( 5.995 1.545 2.708) 6.757 5.243 ( 6.343 1.039 0.486) 6.446 5.340 ( -1.949 2.482 -0.835) 3.264 5.417 ( -0.971 5.072 -1.276) 5.320 5.430 ( -3.759 2.288 2.682) 5.153 5.613 ( -9.083 0.128 6.365) 11.092 5.705 ( -0.189 1.030 -1.193) 1.587 5.734 ( -1.113 -0.838 -1.454) 2.013 5.829 ( 5.415 -2.659 0.997) 6.115 5.992 ( 0.304 -0.317 -1.336) 1.407 6.042 ( 1.858 0.540 -0.972) 2.165 6.166 ( 2.801 3.932 -0.447) 4.848 6.187 ( -0.498 2.776 -3.717) 4.666 6.358 ( -4.660 1.887 4.033) 6.445 6.491 ( -0.386 -2.325 0.196) 2.365 6.557 ( -0.713 -2.171 3.585) 4.251 6.629 ( 0.878 2.535 -0.179) 2.688 6.702 ( 4.145 -0.297 0.236) 4.162 6.724 ( -3.539 -2.738 0.520) 4.505 6.857 ( 2.335 0.623 0.045) 2.417 6.906 ( 0.024 1.247 -1.966) 2.329 6.957 ( -4.869 1.535 0.477) 5.128 7.036 ( 4.468 -0.350 -2.732) 5.249 7.289 ( -1.925 -0.991 -0.045) 2.166 7.317 ( 1.474 -1.875 -0.718) 2.491 7.379 ( 0.335 0.057 1.914) 1.944 7.443 ( -2.243 0.413 -0.955) 2.472 7.994 ( 7.975 -4.331 1.507) 9.199 8.045 ( -4.385 0.395 -1.305) 4.592 8.705 ( 2.204 -0.378 3.109) 3.830 8.720 ( -7.750 -2.726 3.139) 8.795 9.064 ( 1.396 0.227 2.930) 3.254 9.103 ( -2.674 0.156 1.163) 2.920 9.263 ( 1.285 0.504 0.765) 1.578 9.310 ( -1.167 -1.156 -2.180) 2.730 9.381 ( 0.701 -0.033 1.522) 1.676 9.523 ( -2.258 -0.190 -2.488) 3.365 9.693 ( -0.759 0.481 3.026) 3.156 9.892 ( 2.646 -2.379 -5.381) 6.451 9.903 ( 2.173 -2.975 1.926) 4.157 10.019 ( 1.494 1.851 -4.693) 5.261 ======================= Grid point 87 (49/63) ======================= q-point: (-0.60 -0.60 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( -5.752 0.000 -1.676) 5.991 1.194 ( 1.454 -0.000 -0.914) 1.717 1.394 ( 0.409 -0.000 5.725) 5.739 1.440 ( -3.512 0.000 3.543) 4.989 1.446 ( 10.260 -0.000 -2.926) 10.669 1.563 ( 2.899 -0.000 -0.387) 2.924 1.648 ( 2.423 -0.000 0.032) 2.423 1.761 ( -1.686 0.000 9.602) 9.749 1.795 ( 7.333 -0.000 5.673) 9.271 1.826 ( 4.953 -0.000 4.071) 6.411 1.962 ( -1.249 0.000 -0.405) 1.313 2.086 ( -2.748 0.000 -1.242) 3.016 2.105 ( -0.669 0.000 6.615) 6.649 2.221 ( -4.863 0.000 -2.925) 5.675 2.316 ( -0.560 0.000 -9.885) 9.901 2.385 ( 8.932 -0.000 11.311) 14.412 2.403 ( 6.149 -0.000 5.254) 8.088 2.597 ( 2.831 -0.000 -9.388) 9.806 2.620 ( -14.303 0.000 -9.439) 17.137 2.716 ( -2.710 0.000 -8.318) 8.748 2.741 ( 6.714 -0.000 -15.998) 17.349 2.932 ( -3.066 0.000 -4.377) 5.344 2.949 ( 1.655 -0.000 -4.206) 4.520 3.054 ( -6.945 0.000 -6.476) 9.496 3.150 ( -0.898 0.000 -0.714) 1.147 3.325 ( 1.497 -0.000 -1.532) 2.142 3.444 ( -8.225 0.000 6.315) 10.370 3.518 ( 6.291 -0.000 -6.456) 9.015 3.539 ( -0.378 0.000 4.859) 4.874 3.633 ( 1.162 -0.000 9.855) 9.923 3.800 ( -0.767 0.000 -7.516) 7.555 3.857 ( -9.499 0.000 0.049) 9.499 3.915 ( 3.134 -0.000 3.659) 4.818 4.047 ( -9.075 0.000 3.403) 9.692 4.072 ( 12.377 -0.000 -5.480) 13.536 4.159 ( 6.942 -0.000 -4.773) 8.424 4.308 ( 0.262 -0.000 2.041) 2.058 4.462 ( -6.425 0.000 -4.238) 7.697 4.548 ( 0.529 -0.000 4.458) 4.490 4.752 ( 2.639 -0.000 -0.623) 2.711 4.772 ( -1.339 0.000 1.781) 2.228 4.912 ( -0.115 0.000 2.088) 2.091 5.006 ( -2.846 0.000 -0.741) 2.941 5.078 ( 7.159 -0.000 5.482) 9.017 5.302 ( -6.824 0.000 -5.383) 8.691 5.381 ( 1.384 -0.000 1.829) 2.293 5.518 ( 7.925 -0.000 6.592) 10.309 5.523 ( -1.183 0.000 5.818) 5.937 5.596 ( -0.717 0.000 0.402) 0.822 5.633 ( -1.793 0.000 0.308) 1.819 5.680 ( -0.876 0.000 -1.190) 1.478 5.689 ( -5.399 0.000 3.221) 6.287 5.973 ( 3.481 -0.000 -1.676) 3.863 6.066 ( -2.264 0.000 -2.466) 3.347 6.125 ( 2.490 -0.000 1.686) 3.007 6.361 ( 3.577 -0.000 -6.966) 7.831 6.369 ( -2.286 0.000 0.954) 2.477 6.420 ( -1.074 0.000 -4.672) 4.794 6.517 ( 1.264 -0.000 8.588) 8.681 6.664 ( -5.102 0.000 4.331) 6.692 6.669 ( 3.224 -0.000 -0.612) 3.281 6.848 ( 2.867 -0.000 -1.128) 3.081 6.879 ( -0.948 0.000 2.476) 2.652 6.929 ( 2.057 -0.000 -4.265) 4.735 7.013 ( 5.748 -0.000 -3.230) 6.593 7.097 ( -6.781 0.000 1.014) 6.856 7.152 ( 3.744 -0.000 0.078) 3.745 7.314 ( -3.512 0.000 -2.157) 4.122 7.379 ( 0.077 -0.000 1.511) 1.513 7.496 ( -4.129 0.000 1.348) 4.343 7.747 ( 2.989 -0.000 2.994) 4.231 8.139 ( -3.801 0.000 -5.855) 6.980 8.688 ( 3.039 -0.000 1.205) 3.269 8.754 ( -8.346 0.000 4.267) 9.374 9.041 ( 1.586 -0.000 3.284) 3.647 9.121 ( 0.521 -0.000 1.480) 1.569 9.226 ( 1.001 -0.000 -0.338) 1.056 9.317 ( -1.789 0.000 -0.020) 1.789 9.368 ( -0.356 0.000 0.448) 0.572 9.445 ( -0.732 0.000 3.318) 3.398 9.711 ( -2.171 0.000 5.080) 5.525 9.830 ( -1.351 0.000 -2.642) 2.967 9.836 ( 0.837 -0.000 -6.425) 6.479 10.067 ( 1.622 -0.000 -6.768) 6.960 ======================= Grid point 88 (50/63) ======================= q-point: (-0.40 -0.60 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -0.057 -2.795 13.347) 13.637 1.236 ( 2.897 -0.697 2.336) 3.786 1.257 ( -10.933 7.688 2.347) 13.570 1.377 ( 1.384 5.297 -0.789) 5.531 1.395 ( 4.460 12.593 5.192) 14.333 1.581 ( -0.528 3.032 -0.718) 3.160 1.720 ( 0.249 2.745 -7.831) 8.302 1.776 ( 1.357 4.719 -1.254) 5.068 1.880 ( 0.228 -1.377 -1.754) 2.242 1.904 ( 1.085 -9.580 -0.076) 9.641 2.049 ( -0.549 0.731 2.810) 2.955 2.104 ( 6.082 -2.478 3.411) 7.400 2.141 ( -1.229 -7.699 3.258) 8.450 2.222 ( -3.496 -4.423 -0.679) 5.679 2.288 ( 0.302 0.442 -0.547) 0.765 2.321 ( -4.931 0.594 -1.592) 5.215 2.526 ( 1.301 -2.030 -0.883) 2.567 2.584 ( 6.669 -4.532 0.962) 8.120 2.627 ( 0.323 2.068 -3.169) 3.798 2.668 ( 3.324 -5.261 -1.660) 6.441 2.773 ( 8.239 -1.310 -12.644) 15.148 2.850 ( 0.317 0.117 -4.181) 4.194 2.932 ( -0.991 -1.791 -5.417) 5.791 2.994 ( -4.142 -5.640 -4.949) 8.571 3.152 ( 0.664 -0.367 2.461) 2.575 3.309 ( -1.633 0.034 -1.897) 2.504 3.396 ( -4.721 -1.333 2.896) 5.696 3.507 ( 1.343 2.702 -0.757) 3.111 3.570 ( -0.570 -1.943 -2.282) 3.051 3.678 ( 3.316 2.495 -2.008) 4.610 3.731 ( -3.434 -0.756 1.296) 3.747 3.773 ( -1.136 4.075 1.666) 4.546 3.923 ( -7.973 2.228 0.888) 8.326 3.958 ( 3.074 7.268 5.927) 9.869 4.175 ( 7.070 0.005 1.889) 7.318 4.227 ( 4.422 1.783 -5.215) 7.066 4.280 ( -0.474 0.457 -6.037) 6.073 4.310 ( -3.213 -0.011 -2.352) 3.982 4.572 ( 1.406 12.923 3.798) 13.543 4.659 ( -0.008 -4.216 1.060) 4.347 4.880 ( -7.021 0.588 -1.427) 7.189 4.904 ( -1.537 -2.765 -0.980) 3.312 5.039 ( 3.619 -8.327 5.181) 10.454 5.157 ( -3.370 -1.424 1.888) 4.117 5.245 ( 4.961 -0.170 0.086) 4.965 5.394 ( -4.485 2.630 2.114) 5.612 5.493 ( 2.394 1.089 0.181) 2.636 5.569 ( -1.173 1.788 4.756) 5.214 5.587 ( -4.279 1.274 -0.417) 4.484 5.651 ( 4.362 -1.950 2.489) 5.388 5.680 ( -0.425 -1.746 1.409) 2.284 5.767 ( 3.414 -3.476 0.825) 4.942 5.977 ( -1.566 0.923 -2.108) 2.784 6.033 ( 1.446 -1.015 -2.226) 2.842 6.173 ( 0.673 -1.833 1.002) 2.194 6.312 ( -1.501 1.922 -5.831) 6.321 6.349 ( -2.289 -0.865 -0.950) 2.625 6.403 ( -0.161 -2.755 -1.338) 3.067 6.566 ( -1.772 1.996 9.097) 9.480 6.648 ( -2.626 -1.457 2.367) 3.823 6.697 ( 3.373 1.039 -0.660) 3.591 6.810 ( 0.728 6.205 -1.073) 6.339 6.880 ( 1.215 0.877 1.693) 2.261 6.946 ( 0.561 -0.501 -2.751) 2.852 7.005 ( -5.845 1.391 -0.416) 6.023 7.046 ( 5.807 1.543 -2.590) 6.543 7.237 ( 4.165 -2.766 -0.272) 5.007 7.258 ( -4.020 -1.285 -1.416) 4.451 7.393 ( 1.183 0.563 2.270) 2.621 7.447 ( -3.634 0.025 0.104) 3.636 7.854 ( 5.685 -3.436 4.149) 7.832 8.046 ( -5.220 -0.332 -5.411) 7.526 8.684 ( -6.604 -0.037 3.850) 7.645 8.726 ( 3.471 1.350 1.005) 3.857 9.076 ( 0.959 0.337 3.106) 3.268 9.124 ( -0.587 1.292 0.835) 1.647 9.253 ( 1.750 -0.477 0.646) 1.925 9.295 ( -0.958 -0.413 -1.279) 1.651 9.381 ( 1.046 -0.267 2.672) 2.882 9.468 ( -1.223 -2.301 1.232) 2.882 9.724 ( -1.117 -1.362 -0.641) 1.875 9.782 ( 0.102 -0.073 -0.326) 0.349 9.845 ( 0.178 -1.697 -1.072) 2.015 10.037 ( 0.521 -0.317 -6.897) 6.924 ======================= Grid point 89 (51/63) ======================= q-point: (-0.20 -0.60 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -9.569 4.697 5.218) 11.868 1.074 ( 1.875 -5.449 16.765) 17.728 1.282 ( 1.089 4.339 4.650) 6.453 1.317 ( 1.767 5.413 8.637) 10.345 1.354 ( 4.187 2.083 -0.794) 4.743 1.494 ( 0.534 3.977 -6.060) 7.268 1.551 ( -7.451 -1.238 -16.704) 18.332 1.638 ( 0.658 7.884 -10.016) 12.763 1.900 ( 3.097 3.905 5.397) 7.346 1.980 ( 0.422 -0.215 -4.160) 4.187 2.051 ( 0.850 0.152 1.011) 1.330 2.072 ( -0.560 4.700 -0.788) 4.798 2.150 ( -5.730 4.475 2.224) 7.603 2.247 ( -0.554 -5.174 0.960) 5.292 2.324 ( -0.025 0.141 1.501) 1.508 2.474 ( 3.612 -8.776 4.296) 10.417 2.520 ( 2.877 0.344 -7.623) 8.155 2.628 ( -2.609 -2.157 -6.466) 7.298 2.706 ( 4.148 -5.882 -0.925) 7.257 2.754 ( 2.410 -4.001 -4.199) 6.281 2.828 ( 5.560 -1.401 1.318) 5.884 2.909 ( -0.695 -5.775 -4.602) 7.417 2.995 ( -3.616 -6.326 -3.675) 8.161 3.019 ( 7.196 -5.680 4.082) 10.035 3.211 ( 1.075 -3.551 2.414) 4.426 3.284 ( -3.553 -0.528 -2.064) 4.143 3.395 ( -1.043 -2.287 3.884) 4.627 3.493 ( -3.059 4.623 -0.595) 5.575 3.510 ( 1.719 3.388 -1.854) 4.228 3.640 ( 0.733 1.847 -1.803) 2.683 3.720 ( 1.957 -0.031 2.387) 3.087 3.765 ( -0.865 2.571 0.774) 2.821 3.814 ( 0.422 1.747 -1.644) 2.436 3.942 ( 5.956 2.687 4.085) 7.706 4.078 ( -6.299 2.715 -4.565) 8.240 4.284 ( 1.032 -2.121 0.593) 2.432 4.284 ( 1.349 0.868 0.266) 1.626 4.323 ( 1.271 -4.309 -5.836) 7.365 4.491 ( -1.752 4.309 -0.776) 4.716 4.553 ( 0.847 8.767 -0.022) 8.808 4.855 ( -5.540 -4.378 2.808) 7.598 4.954 ( 1.459 -2.873 2.431) 4.036 5.113 ( -3.932 -0.537 1.848) 4.377 5.220 ( 0.972 -3.214 2.117) 3.969 5.278 ( -6.174 1.359 -3.787) 7.369 5.326 ( 3.921 0.277 2.617) 4.723 5.495 ( -5.515 0.173 3.144) 6.350 5.515 ( 5.131 6.504 0.860) 8.329 5.556 ( 1.767 1.284 0.954) 2.384 5.715 ( -0.458 -0.700 1.685) 1.881 5.745 ( 2.243 -0.066 -0.866) 2.406 5.826 ( 1.951 -2.657 1.674) 3.697 5.962 ( 0.526 -2.776 -0.584) 2.885 6.048 ( 0.382 0.170 -2.647) 2.680 6.195 ( -0.955 0.718 -0.722) 1.396 6.224 ( 0.040 1.580 -3.868) 4.179 6.341 ( -3.306 -1.141 3.670) 5.070 6.446 ( -0.230 -2.467 -0.270) 2.493 6.553 ( -2.723 0.599 5.048) 5.767 6.649 ( -1.786 -1.240 1.047) 2.413 6.693 ( -1.870 6.291 -0.862) 6.619 6.740 ( 3.213 -1.200 -0.248) 3.439 6.886 ( 1.158 1.519 -0.717) 2.040 6.907 ( -5.372 0.862 0.838) 5.504 6.949 ( 3.382 0.978 -2.059) 4.079 7.090 ( 5.752 1.168 -1.678) 6.104 7.220 ( -4.534 -2.137 -0.441) 5.032 7.304 ( 1.328 -1.207 -0.489) 1.860 7.413 ( -1.096 0.009 -0.109) 1.101 7.436 ( 3.745 0.607 2.452) 4.517 7.941 ( -7.059 -0.498 -3.601) 7.940 8.025 ( 5.500 -5.642 1.837) 8.090 8.642 ( -4.519 -0.377 3.732) 5.873 8.761 ( 3.152 0.971 2.941) 4.418 9.075 ( -3.572 1.131 1.044) 3.889 9.101 ( 0.185 0.549 2.366) 2.436 9.270 ( -0.542 -0.841 -1.010) 1.421 9.295 ( 1.910 0.670 -0.367) 2.058 9.421 ( 1.456 0.795 4.151) 4.470 9.473 ( -1.679 -0.643 -2.377) 2.980 9.717 ( 0.319 0.785 1.574) 1.788 9.828 ( 0.937 -4.125 -5.452) 6.901 9.889 ( 1.275 -3.275 2.047) 4.067 10.007 ( 0.790 -0.602 -5.097) 5.193 ======================= Grid point 93 (52/63) ======================= q-point: (-0.40 -0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 1.844 -0.000 23.010) 23.084 1.183 ( -13.316 0.000 1.228) 13.372 1.279 ( 2.701 -0.000 2.876) 3.945 1.389 ( -1.854 0.000 -2.885) 3.429 1.573 ( -4.394 0.000 7.565) 8.748 1.579 ( -7.321 0.000 -11.805) 13.891 1.702 ( 4.946 -0.000 -0.679) 4.992 1.727 ( 0.148 -0.000 -7.386) 7.387 1.840 ( 0.285 -0.000 -3.189) 3.201 1.930 ( 2.976 -0.000 1.070) 3.163 1.947 ( -10.780 0.000 -3.614) 11.370 2.071 ( -1.416 0.000 5.172) 5.363 2.089 ( 0.474 -0.000 0.073) 0.479 2.278 ( -3.612 0.000 1.996) 4.127 2.293 ( 15.917 -0.000 6.469) 17.181 2.373 ( 3.500 -0.000 3.140) 4.702 2.518 ( -1.785 0.000 -8.749) 8.929 2.546 ( 3.590 -0.000 -0.920) 3.705 2.655 ( 3.483 -0.000 -4.346) 5.570 2.720 ( -2.818 0.000 -9.647) 10.050 2.774 ( 9.349 -0.000 3.765) 10.079 2.845 ( 2.282 -0.000 -5.097) 5.585 2.877 ( 8.820 -0.000 -6.882) 11.187 2.896 ( -1.114 0.000 -4.925) 5.050 3.160 ( -1.250 0.000 3.988) 4.179 3.250 ( -2.963 0.000 -6.086) 6.769 3.320 ( -7.251 0.000 4.619) 8.597 3.514 ( -0.255 0.000 1.311) 1.336 3.557 ( 1.846 -0.000 -0.774) 2.002 3.693 ( 4.521 -0.000 -7.799) 9.015 3.794 ( 0.995 -0.000 0.632) 1.179 3.795 ( -0.133 0.000 6.237) 6.239 3.869 ( -2.468 0.000 1.996) 3.174 4.159 ( 5.530 -0.000 11.248) 12.533 4.172 ( -7.048 0.000 -4.334) 8.274 4.224 ( -5.460 0.000 -2.724) 6.102 4.231 ( -3.917 0.000 1.800) 4.311 4.304 ( 11.165 -0.000 -9.772) 14.838 4.646 ( 1.587 -0.000 4.702) 4.962 4.695 ( -2.210 0.000 -1.287) 2.558 4.831 ( -5.411 0.000 -3.375) 6.377 4.889 ( 4.720 -0.000 4.021) 6.201 5.023 ( -7.061 0.000 -1.416) 7.201 5.060 ( 4.923 -0.000 6.805) 8.399 5.308 ( -7.747 0.000 -3.746) 8.605 5.353 ( 3.545 -0.000 5.321) 6.394 5.472 ( -6.308 0.000 0.204) 6.311 5.544 ( 2.044 -0.000 3.066) 3.684 5.654 ( 0.592 -0.000 -1.197) 1.335 5.706 ( 4.391 -0.000 1.558) 4.659 5.722 ( 3.138 -0.000 -0.239) 3.147 5.802 ( 6.691 -0.000 0.672) 6.725 5.942 ( -4.062 0.000 -2.532) 4.787 6.010 ( 0.273 -0.000 1.141) 1.173 6.157 ( -1.566 0.000 0.058) 1.567 6.253 ( -4.036 0.000 -6.907) 7.999 6.296 ( -2.961 0.000 1.967) 3.555 6.386 ( 1.782 -0.000 -0.505) 1.853 6.583 ( -4.479 0.000 6.485) 7.881 6.651 ( -0.648 0.000 3.169) 3.235 6.737 ( 3.474 -0.000 -1.832) 3.927 6.871 ( -3.710 0.000 0.369) 3.728 6.894 ( -0.937 0.000 1.541) 1.804 6.929 ( 0.497 -0.000 -1.636) 1.710 6.942 ( -0.235 0.000 -3.763) 3.771 7.125 ( 5.297 -0.000 -1.643) 5.546 7.174 ( -4.745 0.000 -1.312) 4.923 7.271 ( 3.963 -0.000 0.002) 3.963 7.416 ( -1.500 0.000 0.226) 1.517 7.447 ( 4.012 -0.000 3.724) 5.474 7.919 ( 4.441 -0.000 4.763) 6.512 7.928 ( -6.480 0.000 -6.123) 8.916 8.644 ( -3.870 0.000 3.752) 5.390 8.799 ( 4.981 -0.000 0.831) 5.050 9.103 ( 0.168 -0.000 2.406) 2.412 9.134 ( -0.876 0.000 -1.531) 1.764 9.255 ( -1.998 0.000 -1.123) 2.292 9.307 ( 4.254 -0.000 1.353) 4.464 9.422 ( 3.309 -0.000 4.126) 5.289 9.438 ( -0.831 0.000 -0.786) 1.144 9.690 ( -2.161 0.000 2.341) 3.186 9.753 ( -1.898 0.000 -2.802) 3.385 9.856 ( 1.258 -0.000 2.793) 3.063 9.989 ( -0.044 0.000 -6.862) 6.862 ======================= Grid point 94 (53/63) ======================= q-point: (-0.20 -0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -13.478 6.590 3.474) 15.400 1.163 ( -3.813 -4.849 14.821) 16.053 1.310 ( -3.464 -1.615 -12.306) 12.886 1.344 ( 2.090 2.509 2.977) 4.418 1.427 ( -0.020 3.166 4.340) 5.372 1.522 ( -1.318 3.961 2.084) 4.665 1.557 ( -0.267 7.024 -2.897) 7.603 1.687 ( -0.028 6.901 -4.796) 8.404 1.904 ( -5.548 -7.495 -3.487) 9.956 1.910 ( 0.326 -8.876 -1.477) 9.004 1.975 ( -0.108 0.247 2.829) 2.842 2.095 ( -0.969 -0.441 1.941) 2.213 2.147 ( -1.060 2.569 -0.435) 2.814 2.231 ( 3.184 -1.928 2.080) 4.264 2.378 ( 0.679 0.824 -1.982) 2.252 2.482 ( 1.903 0.936 -2.161) 3.027 2.487 ( 4.294 -0.534 -2.507) 5.001 2.606 ( 2.157 -1.939 -4.456) 5.317 2.627 ( 3.629 -3.564 -1.732) 5.373 2.712 ( -1.512 -4.964 -9.602) 10.914 2.784 ( -4.751 -8.165 -4.506) 10.466 2.858 ( 7.268 5.375 2.257) 9.317 2.927 ( 7.762 1.305 -1.618) 8.036 3.069 ( 8.134 -6.938 1.680) 10.823 3.158 ( -3.448 1.085 3.300) 4.894 3.180 ( -3.673 -1.136 -2.443) 4.555 3.334 ( -0.579 -6.233 0.829) 6.315 3.545 ( 1.607 1.157 4.593) 5.002 3.594 ( 5.222 2.765 1.058) 6.003 3.643 ( -0.387 1.343 -4.899) 5.095 3.744 ( -3.789 1.306 0.620) 4.056 3.862 ( 4.693 -0.539 -0.705) 4.776 3.898 ( 1.971 4.483 4.860) 6.899 3.983 ( -5.554 5.126 -4.950) 9.035 4.131 ( 0.655 1.674 0.044) 1.798 4.192 ( -1.958 0.724 2.653) 3.376 4.248 ( 0.849 0.385 -1.870) 2.090 4.406 ( 4.880 -0.624 -1.240) 5.074 4.546 ( -2.523 12.597 1.023) 12.888 4.670 ( -0.198 3.049 0.811) 3.162 4.778 ( -1.520 -3.635 2.130) 4.479 4.982 ( 1.767 0.091 2.336) 2.931 5.011 ( 0.100 -6.815 0.712) 6.852 5.159 ( -3.181 -2.963 -1.778) 4.696 5.229 ( -1.822 0.870 1.059) 2.280 5.345 ( -4.952 -1.700 3.280) 6.178 5.461 ( 1.197 1.116 0.761) 1.805 5.579 ( 0.818 -0.784 -1.458) 1.847 5.650 ( -1.194 0.819 -1.037) 1.781 5.685 ( -0.560 0.145 -1.427) 1.539 5.775 ( 4.863 1.120 1.436) 5.193 5.845 ( 0.196 0.026 1.192) 1.209 5.936 ( 2.284 -2.067 0.164) 3.085 6.036 ( -2.059 -0.560 0.045) 2.134 6.128 ( -3.672 -2.201 -1.382) 4.498 6.182 ( -1.730 -1.808 -3.457) 4.268 6.310 ( -0.969 -1.980 4.592) 5.093 6.427 ( 2.441 -1.233 0.202) 2.742 6.564 ( -2.565 1.090 4.422) 5.227 6.646 ( -1.583 0.687 2.245) 2.832 6.724 ( -3.954 3.867 -3.994) 6.822 6.777 ( 1.960 1.908 0.181) 2.742 6.872 ( -3.190 0.920 1.020) 3.474 6.924 ( 2.131 2.348 -1.572) 3.539 6.956 ( 1.166 -2.361 -1.768) 3.171 7.118 ( -4.966 -2.400 -0.710) 5.561 7.183 ( 5.571 1.468 -0.285) 5.768 7.309 ( 1.365 -0.423 -0.121) 1.435 7.403 ( -0.195 0.648 -0.274) 0.730 7.532 ( 5.385 0.783 3.032) 6.229 7.816 ( -5.827 -0.506 -4.058) 7.119 8.024 ( 2.836 -3.422 3.790) 5.841 8.631 ( -1.552 0.331 3.273) 3.638 8.854 ( 4.535 2.271 2.361) 5.595 9.059 ( -4.388 2.843 -0.255) 5.235 9.118 ( -0.226 0.065 1.540) 1.558 9.238 ( -0.856 -1.170 -1.234) 1.904 9.344 ( 2.799 1.723 -0.289) 3.300 9.426 ( -0.752 -0.407 -2.220) 2.379 9.505 ( 3.736 1.327 4.626) 6.093 9.721 ( -1.407 -1.144 -2.392) 3.002 9.744 ( 2.343 -5.369 1.069) 5.955 9.884 ( 0.359 0.064 1.808) 1.844 9.965 ( 0.776 -1.927 -4.379) 4.847 ======================= Grid point 99 (54/63) ======================= q-point: (-0.20 -0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -6.655 0.000 4.697) 8.146 0.987 ( -17.258 0.000 6.670) 18.502 1.189 ( -1.913 0.000 -7.523) 7.762 1.416 ( -6.019 0.000 1.792) 6.280 1.444 ( -2.457 0.000 3.351) 4.156 1.535 ( 6.145 -0.000 -4.021) 7.344 1.693 ( 0.979 -0.000 21.218) 21.241 1.715 ( -4.181 0.000 -9.794) 10.649 1.739 ( 3.560 -0.000 -7.810) 8.583 1.837 ( -0.745 0.000 -2.989) 3.080 1.999 ( 0.495 -0.000 -0.754) 0.902 2.085 ( -3.460 0.000 5.344) 6.367 2.148 ( 2.073 -0.000 -4.432) 4.893 2.309 ( 9.293 -0.000 3.181) 9.823 2.331 ( -1.374 0.000 -2.100) 2.510 2.408 ( -5.345 0.000 -6.970) 8.784 2.499 ( -5.029 0.000 -11.162) 12.242 2.562 ( 0.881 -0.000 -4.717) 4.798 2.637 ( 2.629 -0.000 -5.669) 6.249 2.663 ( 5.521 -0.000 5.007) 7.453 2.713 ( 6.958 -0.000 4.015) 8.033 2.993 ( 5.763 -0.000 -6.149) 8.428 2.995 ( -3.630 0.000 1.618) 3.974 3.127 ( 5.648 -0.000 3.589) 6.692 3.176 ( -2.362 0.000 5.346) 5.844 3.178 ( 7.169 -0.000 -3.039) 7.787 3.270 ( 1.804 -0.000 1.175) 2.153 3.593 ( -1.985 0.000 -6.240) 6.548 3.626 ( 2.486 -0.000 7.432) 7.837 3.700 ( -2.539 0.000 -2.929) 3.876 3.720 ( -0.396 0.000 3.355) 3.378 3.798 ( -0.137 0.000 -3.095) 3.098 3.948 ( -5.318 0.000 3.357) 6.289 4.012 ( 3.977 -0.000 -2.664) 4.787 4.119 ( 3.630 -0.000 2.489) 4.401 4.164 ( 1.087 -0.000 -3.014) 3.204 4.380 ( 1.172 -0.000 -3.706) 3.887 4.427 ( 2.483 -0.000 9.999) 10.303 4.685 ( 2.210 -0.000 -3.578) 4.205 4.703 ( -1.379 0.000 3.732) 3.979 4.754 ( 5.327 -0.000 -1.413) 5.512 4.869 ( -5.592 0.000 0.609) 5.625 5.020 ( -0.928 0.000 -0.095) 0.933 5.093 ( -1.286 0.000 -2.732) 3.020 5.263 ( -3.597 0.000 4.419) 5.698 5.290 ( 1.451 -0.000 5.849) 6.026 5.472 ( -4.840 0.000 -2.261) 5.342 5.505 ( -4.557 0.000 -8.699) 9.821 5.641 ( 2.547 -0.000 1.512) 2.962 5.647 ( -1.284 0.000 0.520) 1.385 5.838 ( 2.732 -0.000 -4.975) 5.676 5.886 ( 0.429 -0.000 3.335) 3.362 5.930 ( -8.673 0.000 4.049) 9.571 5.970 ( 4.312 -0.000 0.149) 4.315 6.058 ( -5.077 0.000 -1.498) 5.293 6.151 ( 2.545 -0.000 -2.217) 3.375 6.341 ( 2.010 -0.000 5.776) 6.116 6.467 ( 4.306 -0.000 -0.642) 4.354 6.576 ( -1.914 0.000 5.271) 5.608 6.637 ( -1.844 0.000 1.336) 2.277 6.667 ( -3.365 0.000 -5.323) 6.297 6.820 ( 0.556 -0.000 0.040) 0.557 6.843 ( -3.521 0.000 1.543) 3.845 6.923 ( 0.478 -0.000 -2.075) 2.129 6.981 ( 3.928 -0.000 -1.431) 4.181 7.031 ( -4.647 0.000 -0.601) 4.686 7.254 ( 3.920 -0.000 0.374) 3.937 7.317 ( 0.171 -0.000 0.548) 0.574 7.415 ( 0.919 -0.000 -0.500) 1.047 7.555 ( -4.363 0.000 -1.864) 4.745 7.803 ( 6.665 -0.000 0.973) 6.735 8.050 ( 0.601 -0.000 4.412) 4.452 8.644 ( 0.066 -0.000 2.739) 2.740 8.946 ( 3.582 -0.000 1.839) 4.027 9.015 ( -5.780 0.000 -1.301) 5.925 9.122 ( -0.502 0.000 1.327) 1.419 9.214 ( 0.077 -0.000 -0.502) 0.508 9.382 ( 1.151 -0.000 -1.589) 1.962 9.405 ( -0.133 0.000 -2.010) 2.014 9.582 ( 2.568 -0.000 -4.079) 4.820 9.689 ( -2.454 0.000 6.071) 6.548 9.752 ( 5.932 -0.000 3.073) 6.681 9.919 ( 0.414 -0.000 3.052) 3.080 9.924 ( 2.204 -0.000 -5.618) 6.034 ======================= Grid point 100 (55/63) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -0.583 0.000 -8.201) 8.222 1.075 ( 0.583 -0.000 8.201) 8.222 1.291 ( -2.740 0.000 -3.965) 4.820 1.291 ( 2.740 -0.000 3.965) 4.820 1.351 ( -0.064 0.000 -5.639) 5.639 1.351 ( 0.064 -0.000 5.639) 5.639 1.580 ( -5.568 0.000 -7.009) 8.951 1.580 ( 5.568 -0.000 7.009) 8.951 1.687 ( -4.600 0.000 -0.011) 4.600 1.687 ( 4.600 -0.000 0.011) 4.600 2.025 ( 1.515 -0.000 -0.987) 1.808 2.025 ( -1.515 0.000 0.987) 1.808 2.132 ( -2.136 0.000 -3.842) 4.396 2.132 ( 2.136 -0.000 3.842) 4.396 2.333 ( -0.475 0.000 0.043) 0.477 2.333 ( 0.475 -0.000 -0.043) 0.477 2.685 ( -4.803 0.000 -2.022) 5.212 2.685 ( 4.803 -0.000 2.022) 5.212 2.777 ( -14.596 0.000 1.907) 14.720 2.777 ( 14.596 -0.000 -1.907) 14.720 2.924 ( 4.173 -0.000 -3.459) 5.420 2.924 ( -4.173 0.000 3.459) 5.420 3.096 ( -5.219 0.000 -15.908) 16.742 3.096 ( 5.219 -0.000 15.908) 16.742 3.226 ( -1.230 0.000 0.201) 1.246 3.226 ( 1.230 -0.000 -0.201) 1.246 3.413 ( -2.222 0.000 -7.984) 8.287 3.413 ( 2.222 -0.000 7.984) 8.287 3.510 ( -6.212 0.000 -2.342) 6.639 3.510 ( 6.212 -0.000 2.342) 6.639 3.848 ( 3.025 -0.000 -8.283) 8.818 3.848 ( -3.025 0.000 8.283) 8.818 4.028 ( -0.431 0.000 -2.329) 2.369 4.028 ( 0.431 -0.000 2.329) 2.369 4.235 ( -3.293 0.000 0.314) 3.308 4.235 ( 3.293 -0.000 -0.314) 3.308 4.340 ( -12.718 0.000 -0.903) 12.750 4.340 ( 12.718 -0.000 0.903) 12.750 4.646 ( 2.466 -0.000 -0.947) 2.642 4.646 ( -2.466 0.000 0.947) 2.642 4.977 ( -7.309 0.000 0.483) 7.325 4.977 ( 7.309 -0.000 -0.483) 7.325 4.982 ( 2.566 -0.000 -8.581) 8.956 4.982 ( -2.566 0.000 8.581) 8.956 5.184 ( 0.644 -0.000 -2.520) 2.601 5.184 ( -0.644 0.000 2.520) 2.601 5.433 ( 1.230 -0.000 -1.264) 1.763 5.433 ( -1.230 0.000 1.264) 1.763 5.640 ( -0.949 0.000 -2.698) 2.860 5.640 ( 0.949 -0.000 2.698) 2.860 5.788 ( 13.251 -0.000 -7.873) 15.413 5.788 ( -13.251 0.000 7.873) 15.413 5.989 ( 1.142 -0.000 -1.011) 1.525 5.989 ( -1.142 0.000 1.011) 1.525 6.145 ( 0.209 -0.000 -2.217) 2.227 6.145 ( -0.209 0.000 2.217) 2.227 6.393 ( 5.402 -0.000 -3.897) 6.661 6.393 ( -5.402 0.000 3.897) 6.661 6.650 ( 1.462 -0.000 -1.088) 1.823 6.650 ( -1.462 0.000 1.088) 1.823 6.742 ( -0.518 0.000 -3.386) 3.426 6.742 ( 0.518 -0.000 3.386) 3.426 6.862 ( 0.709 -0.000 -2.644) 2.738 6.862 ( -0.709 0.000 2.644) 2.738 6.976 ( 3.395 -0.000 -3.809) 5.102 6.976 ( -3.395 0.000 3.809) 5.102 7.337 ( -3.543 0.000 1.117) 3.715 7.337 ( 3.543 -0.000 -1.117) 3.715 7.404 ( 1.131 -0.000 -0.744) 1.354 7.404 ( -1.131 0.000 0.744) 1.354 8.050 ( -8.332 0.000 1.244) 8.424 8.050 ( 8.332 -0.000 -1.244) 8.424 8.781 ( -5.490 0.000 -1.784) 5.773 8.781 ( 5.490 -0.000 1.784) 5.773 9.102 ( -1.904 0.000 -0.986) 2.144 9.102 ( 1.904 -0.000 0.986) 2.144 9.287 ( -2.135 0.000 -2.236) 3.091 9.287 ( 2.135 -0.000 2.236) 3.091 9.416 ( -0.860 0.000 -3.327) 3.437 9.416 ( 0.860 -0.000 3.327) 3.437 9.828 ( 3.528 -0.000 -5.726) 6.726 9.828 ( -3.528 0.000 5.726) 6.726 9.947 ( -3.075 0.000 0.227) 3.083 9.947 ( 3.075 -0.000 -0.227) 3.083 ======================= Grid point 102 (56/63) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 1.251 0.778 -8.244) 8.374 1.073 ( -3.285 0.752 -7.221) 7.969 1.246 ( -2.029 -1.657 -1.059) 2.826 1.327 ( 2.392 1.734 2.414) 3.815 1.385 ( 4.632 0.423 0.076) 4.652 1.433 ( 4.798 -1.859 6.680) 8.433 1.489 ( 0.190 3.713 -2.058) 4.249 1.645 ( 0.984 -4.254 1.722) 4.694 1.722 ( 1.475 1.311 12.558) 12.712 1.777 ( 4.102 -6.192 0.974) 7.491 2.014 ( -2.273 -0.290 -0.921) 2.469 2.049 ( 1.466 0.914 1.778) 2.479 2.164 ( 3.448 -3.699 2.439) 5.614 2.196 ( 2.830 0.500 3.855) 4.808 2.330 ( 0.219 -1.668 -4.222) 4.545 2.349 ( -0.951 -2.891 0.153) 3.047 2.529 ( -17.476 0.277 0.983) 17.506 2.661 ( -6.767 -4.974 -2.574) 8.784 2.747 ( -1.371 -2.890 -0.663) 3.266 2.839 ( 1.508 1.477 -0.619) 2.200 2.903 ( 0.526 2.403 -6.211) 6.680 2.922 ( -2.667 0.034 -6.802) 7.306 3.002 ( 4.141 0.031 -5.877) 7.189 3.160 ( 0.338 4.671 -0.783) 4.748 3.227 ( 4.174 2.707 -1.223) 5.123 3.255 ( 1.333 -0.685 2.042) 2.533 3.350 ( -0.802 -3.452 -1.701) 3.931 3.453 ( -2.972 -2.015 1.001) 3.728 3.539 ( 5.114 -1.043 8.767) 10.203 3.603 ( 6.623 0.748 0.266) 6.670 3.803 ( -1.341 4.647 -3.101) 5.746 3.852 ( -2.374 1.704 -0.709) 3.007 3.925 ( 3.391 6.538 -2.495) 7.776 4.016 ( -2.371 2.252 4.333) 5.428 4.086 ( -11.272 -0.688 -0.982) 11.336 4.200 ( -3.652 2.598 -1.567) 4.748 4.293 ( 1.948 1.963 1.726) 3.260 4.450 ( -1.414 9.381 -1.680) 9.635 4.532 ( 3.301 6.930 2.278) 8.007 4.618 ( 7.306 2.911 6.827) 10.414 4.886 ( -6.966 -1.610 -2.310) 7.513 5.009 ( -2.298 -6.661 -5.500) 8.938 5.056 ( -1.165 -5.957 -2.138) 6.436 5.082 ( -1.364 -6.434 5.196) 8.382 5.173 ( 2.666 3.248 0.520) 4.234 5.326 ( 5.173 -3.021 1.136) 6.097 5.396 ( 2.265 -0.796 -2.715) 3.624 5.459 ( 1.886 -1.954 -0.593) 2.779 5.623 ( -3.473 0.534 3.068) 4.665 5.705 ( 1.176 -1.928 4.670) 5.188 5.724 ( -4.424 -3.430 2.557) 6.154 5.900 ( 11.911 1.540 -6.102) 13.471 5.973 ( -1.114 -0.125 -1.438) 1.823 6.008 ( 0.679 -1.467 0.801) 1.804 6.099 ( -2.832 -0.310 -3.062) 4.183 6.150 ( -0.628 -0.573 0.874) 1.219 6.395 ( -1.527 -2.086 4.243) 4.969 6.450 ( 2.074 -1.487 -0.712) 2.649 6.596 ( -4.811 1.226 1.183) 5.104 6.625 ( -1.563 0.838 -0.331) 1.804 6.705 ( 1.218 2.833 -4.505) 5.459 6.795 ( 3.704 -0.404 1.119) 3.891 6.839 ( -0.605 1.408 -1.687) 2.279 6.892 ( 0.816 -1.890 1.685) 2.661 6.948 ( -2.848 1.381 2.224) 3.868 7.014 ( 4.358 -1.319 -1.960) 4.957 7.287 ( -3.657 1.287 0.715) 3.943 7.348 ( 1.254 1.322 -1.096) 2.126 7.395 ( -0.580 0.447 -0.189) 0.757 7.448 ( 3.628 -1.343 1.936) 4.326 7.930 ( -9.293 1.106 -0.599) 9.378 8.118 ( 5.135 0.800 -2.304) 5.684 8.704 ( -3.807 0.835 -0.424) 3.921 8.849 ( 5.163 2.089 2.384) 6.058 9.060 ( -3.468 0.031 -1.192) 3.667 9.124 ( 0.576 -0.125 0.811) 1.002 9.253 ( -1.483 -0.656 -1.612) 2.286 9.317 ( 1.328 0.970 1.897) 2.511 9.391 ( -0.892 -0.185 -1.999) 2.196 9.467 ( 0.998 -1.711 5.076) 5.448 9.799 ( -0.601 2.302 -2.396) 3.376 9.819 ( -0.921 0.774 1.283) 1.759 9.903 ( -3.424 -0.408 -1.584) 3.795 9.978 ( 2.357 -0.368 -1.510) 2.823 ======================= Grid point 103 (57/63) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -3.148 1.827 -2.102) 4.203 0.995 ( 1.298 -1.215 -5.923) 6.184 1.222 ( -0.956 1.087 -0.957) 1.736 1.325 ( 0.014 1.720 -0.898) 1.940 1.426 ( 3.013 -0.166 1.891) 3.561 1.454 ( 2.449 1.466 1.991) 3.480 1.544 ( 0.144 0.053 0.407) 0.435 1.798 ( 2.679 -5.754 2.237) 6.730 1.818 ( 4.767 -0.777 10.343) 11.415 1.943 ( 1.503 -5.048 -0.816) 5.330 1.986 ( 0.471 -3.352 -1.286) 3.621 2.059 ( -1.534 3.062 2.742) 4.387 2.181 ( -1.022 1.032 -3.247) 3.557 2.209 ( -1.147 1.953 -0.705) 2.372 2.377 ( -0.866 -0.117 3.243) 3.358 2.391 ( 2.723 -2.735 3.242) 5.041 2.458 ( -0.720 -7.086 2.803) 7.654 2.592 ( -4.396 -1.819 -9.141) 10.305 2.727 ( -5.471 2.537 -2.185) 6.414 2.743 ( -4.207 2.352 -4.047) 6.294 2.842 ( 0.292 0.144 2.773) 2.792 2.897 ( -0.181 2.051 -2.770) 3.452 2.992 ( 7.195 3.288 -0.801) 7.951 3.089 ( -4.340 0.113 -3.414) 5.523 3.218 ( -1.880 -1.573 -1.627) 2.942 3.239 ( 1.702 1.263 -2.987) 3.663 3.446 ( -1.307 0.037 0.315) 1.345 3.460 ( 2.451 -2.996 2.512) 4.615 3.625 ( 0.250 -1.067 -1.061) 1.525 3.639 ( 1.475 4.699 5.880) 7.670 3.737 ( 4.401 0.863 -2.988) 5.389 3.771 ( 0.561 1.445 2.561) 2.994 3.881 ( -10.042 0.143 -0.412) 10.051 3.950 ( 4.003 2.072 1.483) 4.745 4.113 ( -0.064 -2.772 -1.534) 3.169 4.131 ( 4.322 1.552 1.826) 4.942 4.241 ( -5.248 3.115 -2.680) 6.666 4.293 ( -0.178 5.248 -0.234) 5.257 4.464 ( 0.214 3.528 2.439) 4.294 4.699 ( 0.079 1.342 0.355) 1.390 4.908 ( 3.018 -3.043 5.727) 7.153 5.031 ( -4.034 -7.389 -6.864) 10.863 5.086 ( -0.807 0.325 1.141) 1.435 5.144 ( -0.834 -1.201 -0.227) 1.479 5.178 ( 5.373 4.309 3.116) 7.560 5.251 ( -5.477 -0.056 -4.748) 7.249 5.506 ( 1.598 -1.487 -0.639) 2.274 5.544 ( 4.185 -1.374 0.691) 4.458 5.613 ( -0.653 -1.152 3.559) 3.797 5.738 ( 0.042 0.641 1.360) 1.504 5.769 ( -0.263 -3.276 -0.257) 3.297 5.913 ( -3.125 0.259 0.980) 3.285 5.987 ( 5.125 1.175 -2.648) 5.887 6.022 ( 0.354 0.619 0.857) 1.115 6.110 ( 0.225 -3.541 -2.358) 4.260 6.158 ( -0.386 -0.654 0.369) 0.844 6.433 ( 0.432 -1.308 -1.526) 2.056 6.474 ( 0.286 0.103 4.491) 4.502 6.533 ( -3.860 0.112 -0.604) 3.909 6.597 ( 0.004 1.080 -0.757) 1.319 6.669 ( 1.319 0.960 -1.240) 2.049 6.798 ( -0.563 1.244 -0.924) 1.649 6.837 ( 2.100 0.140 -0.271) 2.122 6.894 ( -3.166 0.494 1.692) 3.623 6.943 ( 1.358 -0.519 0.003) 1.454 7.101 ( 5.461 -3.060 -0.781) 6.308 7.211 ( -4.773 2.684 0.687) 5.519 7.336 ( 0.307 0.626 -0.198) 0.725 7.377 ( -0.476 0.449 -0.345) 0.740 7.540 ( 4.195 -1.325 1.964) 4.817 7.794 ( -6.318 1.441 -1.599) 6.675 8.132 ( 1.379 0.615 -1.288) 1.985 8.665 ( -1.061 0.296 0.159) 1.113 8.878 ( 2.506 1.881 1.246) 3.372 9.015 ( -2.254 -0.357 -0.781) 2.412 9.132 ( -0.019 -0.102 0.332) 0.348 9.248 ( -0.388 -0.773 -0.551) 1.026 9.325 ( 0.683 0.841 1.322) 1.709 9.370 ( -0.743 0.048 -1.188) 1.403 9.544 ( 0.688 -2.009 4.265) 4.764 9.725 ( -0.380 2.466 -4.159) 4.850 9.813 ( -0.907 0.282 2.695) 2.858 9.862 ( -1.458 -0.219 -2.051) 2.526 9.997 ( 0.982 -0.285 -0.802) 1.300 ======================= Grid point 107 (58/63) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -5.415 0.000 -4.754) 7.206 1.092 ( 11.936 -0.000 -4.909) 12.907 1.198 ( -0.905 0.000 -2.022) 2.215 1.406 ( 3.415 -0.000 2.254) 4.092 1.485 ( 0.789 -0.000 3.885) 3.965 1.489 ( 0.742 -0.000 -0.408) 0.847 1.534 ( 9.412 -0.000 3.984) 10.220 1.643 ( 1.773 -0.000 4.076) 4.445 1.753 ( 2.645 -0.000 0.171) 2.650 1.854 ( 1.478 -0.000 11.545) 11.639 1.971 ( -1.573 0.000 -4.030) 4.326 2.126 ( 2.628 -0.000 4.422) 5.144 2.225 ( 3.911 -0.000 -0.063) 3.911 2.269 ( -1.413 0.000 -1.249) 1.886 2.280 ( 0.963 -0.000 2.446) 2.629 2.320 ( -9.139 0.000 1.642) 9.285 2.322 ( 2.263 -0.000 3.571) 4.228 2.511 ( -7.204 0.000 -2.296) 7.561 2.692 ( -3.884 0.000 0.492) 3.915 2.735 ( -5.400 0.000 -12.740) 13.837 2.815 ( -1.716 0.000 -5.782) 6.031 2.935 ( -1.784 0.000 -1.154) 2.125 3.063 ( 5.805 -0.000 -5.219) 7.807 3.146 ( -6.479 0.000 -1.771) 6.717 3.217 ( -6.284 0.000 -1.576) 6.478 3.258 ( 3.376 -0.000 -2.994) 4.512 3.320 ( 1.880 -0.000 -3.718) 4.166 3.480 ( 3.049 -0.000 6.024) 6.752 3.679 ( 5.965 -0.000 10.398) 11.988 3.697 ( 8.608 -0.000 -3.586) 9.325 3.787 ( -8.272 0.000 -2.490) 8.639 3.791 ( -1.006 0.000 -8.739) 8.797 3.917 ( -11.291 0.000 6.976) 13.273 3.995 ( 4.375 -0.000 -2.717) 5.150 4.074 ( 5.704 -0.000 1.738) 5.963 4.149 ( -8.405 0.000 -0.130) 8.406 4.350 ( -0.180 0.000 3.155) 3.160 4.549 ( -2.163 0.000 -4.306) 4.818 4.589 ( -2.247 0.000 4.263) 4.818 4.757 ( -6.193 0.000 -1.388) 6.347 4.762 ( 5.645 -0.000 3.185) 6.482 4.892 ( 0.961 -0.000 -3.872) 3.990 5.011 ( 0.443 -0.000 -1.108) 1.194 5.016 ( -0.163 0.000 5.238) 5.241 5.336 ( 3.165 -0.000 -2.520) 4.046 5.347 ( 5.006 -0.000 5.509) 7.444 5.398 ( -0.110 0.000 -3.606) 3.608 5.454 ( 7.763 -0.000 -0.378) 7.773 5.631 ( -4.782 0.000 2.412) 5.356 5.643 ( 0.414 -0.000 1.084) 1.160 5.733 ( -0.939 0.000 5.323) 5.405 5.903 ( -6.122 0.000 1.367) 6.273 5.976 ( -2.651 0.000 -0.292) 2.667 6.062 ( 13.785 -0.000 -8.341) 16.112 6.065 ( 0.856 -0.000 -1.615) 1.828 6.122 ( -1.997 0.000 0.085) 1.999 6.417 ( -0.284 0.000 5.559) 5.566 6.430 ( -0.879 0.000 -3.146) 3.267 6.563 ( -2.906 0.000 3.732) 4.729 6.622 ( 0.550 -0.000 -0.303) 0.628 6.723 ( 3.178 -0.000 -6.539) 7.270 6.808 ( -1.559 0.000 2.492) 2.940 6.870 ( 2.089 -0.000 -1.633) 2.651 6.883 ( 1.103 -0.000 1.207) 1.635 6.948 ( -2.282 0.000 1.894) 2.965 7.043 ( 4.638 -0.000 -1.719) 4.947 7.251 ( -4.435 0.000 0.729) 4.495 7.348 ( -0.336 0.000 -2.303) 2.327 7.399 ( -0.782 0.000 1.286) 1.505 7.507 ( 4.523 -0.000 2.854) 5.349 7.820 ( -8.261 0.000 -0.649) 8.287 8.139 ( 1.302 -0.000 -4.882) 5.052 8.674 ( -1.441 0.000 -0.049) 1.442 8.935 ( 0.209 -0.000 3.348) 3.355 9.011 ( -1.330 0.000 -0.614) 1.464 9.129 ( -0.144 0.000 0.585) 0.603 9.220 ( -0.845 0.000 -1.073) 1.365 9.349 ( 0.015 -0.000 1.743) 1.743 9.380 ( -0.377 0.000 0.188) 0.421 9.489 ( -0.326 0.000 5.039) 5.050 9.810 ( 1.203 -0.000 -5.716) 5.841 9.810 ( -2.114 0.000 3.733) 4.291 9.825 ( -4.653 0.000 -2.532) 5.297 9.982 ( 1.841 -0.000 -3.636) 4.075 ======================= Grid point 108 (59/63) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -0.131 0.373 3.731) 3.751 1.136 ( 9.198 7.239 0.743) 11.729 1.232 ( 1.089 -0.271 4.108) 4.259 1.397 ( -0.248 6.635 -1.193) 6.746 1.453 ( 0.873 0.331 3.211) 3.344 1.549 ( 0.264 2.066 -5.033) 5.447 1.602 ( 3.078 5.622 1.897) 6.684 1.699 ( 3.953 -4.931 -3.153) 7.063 1.870 ( 2.751 -4.150 1.793) 5.292 1.926 ( -0.978 -3.594 -4.752) 6.038 1.960 ( 2.356 -3.943 7.323) 8.644 2.123 ( 0.142 4.543 0.185) 4.549 2.148 ( -0.341 1.055 -0.639) 1.279 2.254 ( -2.354 0.734 2.775) 3.712 2.302 ( -2.021 -5.532 -2.678) 6.470 2.409 ( 3.614 -0.713 4.239) 5.616 2.464 ( 4.345 -2.207 3.580) 6.047 2.468 ( 1.756 -2.566 4.717) 5.649 2.603 ( -5.869 -2.109 -3.386) 7.096 2.659 ( -4.829 -2.245 -2.193) 5.760 2.786 ( -2.794 -7.801 -5.393) 9.887 2.891 ( -1.554 1.573 -0.300) 2.232 2.972 ( -12.475 3.478 -5.884) 14.225 3.092 ( 1.427 -2.868 0.754) 3.291 3.149 ( -1.820 -1.753 -1.811) 3.109 3.258 ( 2.149 2.161 -4.735) 5.632 3.381 ( 3.614 -3.815 -3.314) 6.213 3.522 ( 1.338 2.199 4.386) 5.085 3.604 ( -6.307 2.462 0.105) 6.771 3.718 ( -2.110 -1.244 -9.592) 9.900 3.777 ( 1.653 4.203 4.230) 6.188 3.818 ( -0.270 1.361 1.210) 1.841 3.858 ( 8.709 0.986 2.648) 9.156 3.984 ( -5.165 1.602 -1.806) 5.702 4.081 ( 0.251 0.957 3.630) 3.762 4.165 ( 0.073 -1.676 2.514) 3.022 4.271 ( -1.842 6.299 -3.079) 7.250 4.403 ( -0.894 5.735 0.890) 5.872 4.554 ( -0.782 10.249 0.609) 10.296 4.686 ( -1.929 -2.183 -1.069) 3.103 4.861 ( 1.821 -6.663 -5.538) 8.853 4.945 ( 3.031 -2.501 4.220) 5.766 5.050 ( -2.222 -3.866 0.245) 4.466 5.097 ( 1.936 -2.793 2.642) 4.305 5.245 ( 0.082 5.551 -1.617) 5.782 5.372 ( 5.401 3.436 1.819) 6.655 5.453 ( 0.528 -1.694 -0.163) 1.782 5.562 ( 0.967 -0.483 -1.518) 1.863 5.614 ( -0.392 -1.152 3.552) 3.755 5.691 ( 0.151 -3.599 -1.025) 3.745 5.762 ( -1.239 -2.418 4.750) 5.472 5.833 ( -6.619 -2.300 0.364) 7.016 5.943 ( -1.915 -0.538 -0.458) 2.041 6.046 ( -0.625 2.533 0.122) 2.612 6.143 ( 1.228 -2.331 0.895) 2.783 6.168 ( 9.493 -0.121 -6.301) 11.395 6.398 ( -0.503 -1.356 -3.596) 3.876 6.425 ( -3.426 -1.808 0.205) 3.879 6.586 ( 2.109 2.129 6.299) 6.976 6.629 ( 1.772 0.818 0.997) 2.192 6.714 ( 3.807 2.527 -4.736) 6.581 6.778 ( -3.502 0.716 1.231) 3.781 6.865 ( -0.477 1.695 1.496) 2.311 6.907 ( 2.457 0.659 -1.046) 2.751 6.942 ( -0.067 -0.731 -0.077) 0.738 7.116 ( 4.954 -2.622 -0.541) 5.631 7.179 ( -5.941 1.498 0.477) 6.146 7.323 ( -1.454 -0.182 -1.399) 2.026 7.391 ( -0.100 0.945 1.051) 1.417 7.555 ( -2.189 -0.250 0.669) 2.303 7.760 ( 0.887 -0.546 1.673) 1.970 8.105 ( -1.829 -0.848 -4.697) 5.111 8.668 ( 0.961 0.338 -0.406) 1.097 8.877 ( -6.297 1.038 0.484) 6.400 9.038 ( 3.331 1.109 1.801) 3.946 9.131 ( -0.088 -0.144 0.229) 0.285 9.226 ( 0.419 -1.336 0.058) 1.402 9.338 ( -1.718 1.002 0.383) 2.025 9.379 ( 0.349 0.396 1.875) 1.948 9.525 ( -2.045 -2.431 2.929) 4.321 9.728 ( -0.470 2.116 -4.194) 4.721 9.796 ( -1.671 -0.834 -1.721) 2.540 9.837 ( 0.211 -1.352 2.928) 3.232 9.980 ( 0.744 -0.917 -4.088) 4.255 ======================= Grid point 109 (60/63) ======================= q-point: ( 0.60 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 7.346 0.270 5.947) 9.455 1.165 ( 4.019 5.916 10.476) 12.685 1.262 ( -1.677 3.452 1.347) 4.068 1.306 ( -0.603 -1.592 5.037) 5.317 1.425 ( -1.820 3.645 -3.194) 5.177 1.464 ( 0.292 4.752 2.260) 5.270 1.550 ( -0.111 4.564 -5.999) 7.538 1.605 ( -4.485 -0.492 -19.164) 19.688 1.881 ( -0.475 3.968 3.120) 5.070 2.000 ( -2.050 2.552 -0.833) 3.378 2.044 ( 1.081 0.316 1.168) 1.623 2.065 ( 0.152 4.017 0.147) 4.022 2.176 ( 4.602 0.014 -0.662) 4.649 2.258 ( -0.102 1.414 3.399) 3.682 2.337 ( 0.493 -3.339 -0.091) 3.376 2.413 ( 0.112 0.007 -0.086) 0.141 2.526 ( 0.483 -2.912 1.945) 3.535 2.570 ( 2.157 -5.782 -5.325) 8.151 2.639 ( -2.314 -7.862 2.592) 8.596 2.743 ( -0.402 -8.324 5.224) 9.836 2.795 ( -3.003 -2.338 0.614) 3.855 2.871 ( 2.304 -0.668 -1.429) 2.792 2.910 ( 0.392 -7.042 2.504) 7.484 3.126 ( -6.772 -4.700 -4.803) 9.541 3.197 ( 2.664 -1.846 5.623) 6.491 3.243 ( 3.247 0.938 -1.477) 3.688 3.430 ( 1.516 -0.892 0.031) 1.760 3.491 ( -3.392 2.957 2.647) 5.221 3.555 ( 1.855 -0.446 -5.356) 5.686 3.619 ( -6.132 1.106 -2.853) 6.853 3.725 ( 0.764 4.701 1.863) 5.114 3.812 ( 3.070 1.043 -0.295) 3.256 3.851 ( -4.839 4.967 -3.549) 7.790 3.980 ( -7.761 1.539 -0.087) 7.913 4.014 ( 10.315 -1.713 -0.326) 10.462 4.217 ( 1.572 -2.258 2.430) 3.671 4.235 ( -0.713 -0.544 0.872) 1.251 4.347 ( -0.084 1.570 2.012) 2.553 4.416 ( 1.644 6.882 0.487) 7.092 4.651 ( -4.423 2.440 -5.237) 7.276 4.909 ( 2.169 -0.473 -2.743) 3.529 4.996 ( -4.100 -5.245 -1.687) 6.868 5.111 ( 5.175 -4.129 1.709) 6.837 5.189 ( 3.117 0.627 4.821) 5.774 5.214 ( 2.171 2.173 2.433) 3.918 5.376 ( 1.555 4.048 -1.200) 4.500 5.471 ( -0.850 -0.773 1.494) 1.884 5.516 ( -3.127 3.104 0.246) 4.413 5.624 ( 2.280 0.917 -3.121) 3.973 5.714 ( 0.327 -1.387 -0.337) 1.464 5.774 ( -4.312 -3.448 -0.547) 5.548 5.823 ( -7.149 -1.864 2.499) 7.799 5.965 ( 3.179 -1.175 -0.047) 3.389 6.010 ( -0.786 0.405 -0.037) 0.884 6.177 ( 1.181 0.959 0.601) 1.635 6.204 ( 2.327 2.525 -1.911) 3.930 6.415 ( 0.883 -3.211 -2.633) 4.245 6.425 ( -1.845 -2.349 0.778) 3.087 6.622 ( 4.690 2.076 1.180) 5.263 6.633 ( 0.936 3.536 2.954) 4.702 6.676 ( 1.015 2.216 -2.303) 3.353 6.745 ( -3.466 -1.821 0.281) 3.925 6.854 ( 1.092 1.429 1.587) 2.398 6.925 ( -1.694 0.895 0.051) 1.916 6.936 ( 4.098 0.240 -2.153) 4.635 7.070 ( -6.553 2.189 0.508) 6.927 7.221 ( 4.407 -2.916 -0.369) 5.297 7.305 ( -2.045 -1.198 -0.474) 2.417 7.394 ( 1.021 0.422 1.399) 1.782 7.484 ( -4.755 0.874 -1.841) 5.173 7.870 ( 7.249 -2.589 3.468) 8.443 8.068 ( -4.193 -2.338 -2.615) 5.467 8.684 ( 2.815 -0.048 -0.586) 2.876 8.795 ( -5.708 -0.512 -0.270) 5.737 9.072 ( 3.018 0.936 1.375) 3.446 9.129 ( -0.488 0.152 -0.449) 0.681 9.255 ( 0.856 -0.877 0.504) 1.325 9.298 ( -1.788 0.376 -0.745) 1.973 9.405 ( 1.413 0.271 3.383) 3.677 9.511 ( -2.667 -0.018 -3.708) 4.568 9.724 ( 0.701 -1.574 2.930) 3.399 9.783 ( -0.502 -1.434 -2.975) 3.340 9.890 ( 1.744 -1.207 3.059) 3.723 9.971 ( -1.015 -1.009 -2.810) 3.154 ======================= Grid point 110 (61/63) ======================= q-point: (-0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -1.697 2.234 -1.263) 3.077 1.104 ( 1.697 2.234 1.263) 3.077 1.299 ( -2.735 -0.131 -3.353) 4.329 1.299 ( 2.735 -0.131 3.353) 4.329 1.389 ( -3.956 4.462 -4.733) 7.613 1.389 ( 3.956 4.462 4.733) 7.613 1.491 ( -3.149 -3.653 -8.810) 10.044 1.491 ( 3.149 -3.653 8.810) 10.044 1.823 ( -1.404 8.450 -6.397) 10.691 1.823 ( 1.404 8.450 6.397) 10.691 2.045 ( -0.363 0.570 -0.480) 0.829 2.045 ( 0.363 0.570 0.480) 0.829 2.184 ( 2.486 3.078 -3.158) 5.062 2.184 ( -2.486 3.078 3.158) 5.062 2.389 ( 0.192 2.411 -3.882) 4.574 2.389 ( -0.192 2.411 3.882) 4.574 2.652 ( -6.650 -7.257 -2.286) 10.105 2.652 ( 6.650 -7.257 2.286) 10.105 2.764 ( -0.742 -2.606 -3.008) 4.048 2.764 ( 0.742 -2.606 3.008) 4.048 2.908 ( 2.278 -2.148 -4.955) 5.862 2.908 ( -2.278 -2.148 4.955) 5.862 3.079 ( -5.586 -5.308 -6.254) 9.925 3.079 ( 5.586 -5.308 6.254) 9.925 3.204 ( -2.449 4.883 -4.493) 7.073 3.204 ( 2.449 4.883 4.493) 7.073 3.466 ( -1.120 1.772 -6.119) 6.468 3.466 ( 1.120 1.772 6.119) 6.468 3.523 ( 0.741 0.791 -3.193) 3.372 3.523 ( -0.741 0.791 3.193) 3.372 3.764 ( -3.147 -4.960 -2.655) 6.446 3.764 ( 3.147 -4.960 2.655) 6.446 3.893 ( -5.859 -2.675 -3.051) 7.127 3.893 ( 5.859 -2.675 3.051) 7.127 4.171 ( -2.272 -2.883 -5.138) 6.315 4.171 ( 2.272 -2.883 5.138) 6.315 4.345 ( -6.095 -2.282 -3.830) 7.551 4.345 ( 6.095 -2.282 3.830) 7.551 4.452 ( -7.398 0.559 -7.126) 10.287 4.452 ( 7.398 0.559 7.126) 10.287 4.979 ( -5.465 -1.380 -1.535) 5.842 4.979 ( 5.465 -1.380 1.535) 5.842 5.174 ( 2.309 3.536 -4.836) 6.420 5.174 ( -2.309 3.536 4.836) 6.420 5.275 ( -7.352 3.527 -3.815) 9.002 5.275 ( 7.352 3.527 3.815) 9.002 5.440 ( -1.421 2.124 -1.689) 3.064 5.440 ( 1.421 2.124 1.689) 3.064 5.679 ( -4.287 0.406 -0.673) 4.359 5.679 ( 4.287 0.406 0.673) 4.359 5.783 ( 5.075 -0.851 -5.130) 7.266 5.783 ( -5.075 -0.851 5.130) 7.266 6.004 ( 0.825 -0.060 -2.206) 2.356 6.004 ( -0.825 -0.060 2.206) 2.356 6.156 ( 0.052 2.603 -0.669) 2.688 6.156 ( -0.052 2.603 0.669) 2.688 6.442 ( 1.972 0.405 -4.114) 4.580 6.442 ( -1.972 0.405 4.114) 4.580 6.614 ( 0.777 0.195 -1.595) 1.785 6.614 ( -0.777 0.195 1.595) 1.785 6.719 ( -4.389 -1.427 -1.004) 4.723 6.719 ( 4.389 -1.427 1.004) 4.723 6.872 ( -2.482 0.774 -1.243) 2.882 6.872 ( 2.482 0.774 1.243) 2.882 6.981 ( 2.640 0.596 -1.774) 3.236 6.981 ( -2.640 0.596 1.774) 3.236 7.299 ( -1.628 -1.950 -0.381) 2.568 7.299 ( 1.628 -1.950 0.381) 2.568 7.418 ( -1.948 0.561 -1.747) 2.676 7.418 ( 1.948 0.561 1.747) 2.676 8.019 ( -7.237 -2.116 -1.205) 7.636 8.019 ( 7.237 -2.116 1.205) 7.636 8.744 ( -4.851 -1.595 -0.559) 5.137 8.744 ( 4.851 -1.595 0.559) 5.137 9.104 ( -2.006 0.285 -1.074) 2.294 9.104 ( 2.006 0.285 1.074) 2.294 9.279 ( -1.094 -0.489 -1.024) 1.577 9.279 ( 1.094 -0.489 1.024) 1.577 9.441 ( -1.717 1.203 -4.446) 4.916 9.441 ( 1.717 1.203 4.446) 4.916 9.787 ( 1.575 -2.265 -5.463) 6.120 9.787 ( -1.575 -2.265 5.463) 6.120 9.947 ( -0.791 -0.501 -2.732) 2.888 9.947 ( 0.791 -0.501 2.732) 2.888 ======================= Grid point 114 (62/63) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 3.397 -0.000 16.216) 16.568 1.254 ( 3.730 -0.000 4.640) 5.954 1.356 ( 4.421 -0.000 -11.120) 11.967 1.377 ( -4.391 0.000 -7.186) 8.421 1.544 ( 4.882 -0.000 9.233) 10.444 1.552 ( 4.072 -0.000 -1.290) 4.271 1.644 ( 2.315 -0.000 1.575) 2.800 1.740 ( -5.910 0.000 -10.093) 11.696 1.839 ( 3.581 -0.000 -0.822) 3.674 1.863 ( 3.931 -0.000 3.397) 5.195 1.953 ( 2.341 -0.000 1.663) 2.871 2.137 ( -3.161 0.000 -0.469) 3.196 2.155 ( -2.265 0.000 -3.076) 3.820 2.248 ( 7.220 -0.000 2.081) 7.514 2.276 ( -4.288 0.000 8.652) 9.656 2.452 ( -12.476 0.000 -5.619) 13.683 2.452 ( 4.786 -0.000 -3.673) 6.033 2.554 ( 2.639 -0.000 5.670) 6.254 2.565 ( -1.108 0.000 1.047) 1.524 2.578 ( -4.718 0.000 -3.802) 6.059 2.637 ( 7.925 -0.000 12.574) 14.864 2.835 ( -7.610 0.000 -5.061) 9.140 2.880 ( -2.377 0.000 -3.045) 3.864 2.951 ( -7.697 0.000 -5.017) 9.188 3.160 ( 2.496 -0.000 2.636) 3.631 3.259 ( 0.574 -0.000 -5.284) 5.315 3.405 ( 7.233 -0.000 -4.591) 8.567 3.540 ( -6.670 0.000 2.341) 7.069 3.575 ( -1.485 0.000 3.605) 3.899 3.618 ( -1.624 0.000 -9.020) 9.165 3.788 ( -3.460 0.000 2.753) 4.421 3.882 ( -3.751 0.000 0.656) 3.808 3.917 ( 9.831 -0.000 -7.315) 12.254 4.029 ( 6.898 -0.000 8.633) 11.050 4.139 ( -7.540 0.000 6.302) 9.827 4.172 ( 5.407 -0.000 2.617) 6.007 4.294 ( -1.096 0.000 -2.666) 2.882 4.345 ( -6.655 0.000 -7.899) 10.329 4.646 ( 0.684 -0.000 4.297) 4.351 4.731 ( -1.487 0.000 -4.171) 4.428 4.769 ( 5.428 -0.000 2.424) 5.945 4.963 ( -1.789 0.000 -2.360) 2.962 4.977 ( 0.568 -0.000 2.324) 2.392 5.174 ( 3.486 -0.000 -1.620) 3.844 5.210 ( -2.625 0.000 1.804) 3.186 5.435 ( 7.350 -0.000 2.818) 7.872 5.477 ( -5.559 0.000 -6.447) 8.512 5.592 ( 2.732 -0.000 -0.510) 2.779 5.622 ( 0.569 -0.000 2.501) 2.565 5.656 ( 1.568 -0.000 3.499) 3.834 5.729 ( -7.140 0.000 0.708) 7.175 5.756 ( -1.853 0.000 4.819) 5.163 5.939 ( 2.638 -0.000 -1.561) 3.065 6.038 ( -4.009 0.000 -0.804) 4.089 6.162 ( 2.852 -0.000 2.742) 3.956 6.215 ( 4.784 -0.000 -6.404) 7.994 6.350 ( 0.184 -0.000 -3.377) 3.382 6.376 ( -2.850 0.000 0.418) 2.880 6.653 ( 2.786 -0.000 -1.354) 3.098 6.679 ( 0.508 -0.000 5.740) 5.762 6.755 ( 4.939 -0.000 -6.875) 8.465 6.758 ( -4.703 0.000 6.843) 8.303 6.903 ( 0.957 -0.000 0.197) 0.977 6.914 ( -0.642 0.000 1.159) 1.325 6.954 ( 4.942 -0.000 -2.719) 5.641 7.110 ( -7.243 0.000 0.374) 7.253 7.157 ( 5.047 -0.000 0.467) 5.068 7.283 ( -3.254 0.000 -1.083) 3.430 7.408 ( 0.699 -0.000 1.110) 1.312 7.497 ( -5.052 0.000 -1.310) 5.219 7.821 ( 5.323 -0.000 4.777) 7.152 8.021 ( -3.933 0.000 -5.931) 7.116 8.692 ( 3.025 -0.000 -1.109) 3.222 8.802 ( -6.756 0.000 0.915) 6.818 9.098 ( 1.770 -0.000 2.403) 2.984 9.130 ( 0.154 -0.000 -0.455) 0.480 9.234 ( 2.049 -0.000 0.926) 2.248 9.318 ( -3.049 0.000 -0.051) 3.050 9.399 ( 0.631 -0.000 2.398) 2.480 9.476 ( -3.050 0.000 -0.744) 3.140 9.721 ( -0.028 0.000 -0.584) 0.585 9.758 ( 0.138 -0.000 -4.349) 4.351 9.861 ( 0.134 -0.000 6.214) 6.215 9.946 ( 0.223 -0.000 -5.712) 5.716 ======================= Grid point 115 (63/63) ======================= q-point: (-0.40 -0.60 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -7.102 1.000 -14.607) 16.273 1.188 ( 7.102 1.000 14.607) 16.273 1.326 ( -0.665 1.501 -3.718) 4.064 1.326 ( 0.665 1.501 3.718) 4.064 1.486 ( -2.338 7.360 -7.585) 10.824 1.486 ( 2.338 7.360 7.585) 10.824 1.626 ( -1.505 7.422 -8.904) 11.689 1.626 ( 1.505 7.422 8.904) 11.689 1.924 ( -2.455 -4.682 -2.588) 5.886 1.924 ( 2.455 -4.682 2.588) 5.886 2.108 ( -2.642 2.549 -2.547) 4.468 2.108 ( 2.642 2.549 2.547) 4.468 2.209 ( 2.874 -9.824 -1.967) 10.423 2.209 ( -2.874 -9.824 1.967) 10.423 2.316 ( -6.074 2.383 -1.122) 6.620 2.316 ( 6.074 2.383 1.122) 6.620 2.516 ( 1.303 -2.041 -4.547) 5.151 2.516 ( -1.303 -2.041 4.547) 5.151 2.592 ( -1.339 -1.715 -1.636) 2.722 2.592 ( 1.339 -1.715 1.636) 2.722 2.796 ( -2.720 -3.136 -5.936) 7.244 2.796 ( 2.720 -3.136 5.936) 7.244 2.894 ( -6.574 -6.153 -4.512) 10.071 2.894 ( 6.574 -6.153 4.512) 10.071 3.230 ( -1.079 -1.611 -5.024) 5.386 3.230 ( 1.079 -1.611 5.024) 5.386 3.469 ( 1.233 0.572 -2.957) 3.254 3.469 ( -1.233 0.572 2.957) 3.254 3.568 ( 1.362 0.332 -3.922) 4.165 3.568 ( -1.362 0.332 3.922) 4.165 3.802 ( -3.577 1.120 -0.532) 3.786 3.802 ( 3.577 1.120 0.532) 3.786 3.978 ( 9.087 7.173 -4.671) 12.484 3.978 ( -9.087 7.173 4.671) 12.484 4.164 ( -8.104 2.683 -4.273) 9.546 4.164 ( 8.104 2.683 4.273) 9.546 4.259 ( -4.088 -1.493 -3.367) 5.502 4.259 ( 4.088 -1.493 3.367) 5.502 4.645 ( -2.159 6.595 -2.779) 7.475 4.645 ( 2.159 6.595 2.779) 7.475 4.876 ( -2.268 -3.338 -0.567) 4.076 4.876 ( 2.268 -3.338 0.567) 4.076 5.125 ( -6.023 -5.407 -3.613) 8.864 5.125 ( 6.023 -5.407 3.613) 8.864 5.327 ( -8.050 1.461 -6.133) 10.225 5.327 ( 8.050 1.461 6.133) 10.225 5.543 ( -4.162 1.228 -3.654) 5.673 5.543 ( 4.162 1.228 3.654) 5.673 5.649 ( 2.167 0.018 -2.924) 3.639 5.649 ( -2.167 0.018 2.924) 3.639 5.740 ( -2.636 -1.253 -2.947) 4.148 5.740 ( 2.636 -1.253 2.947) 4.148 5.988 ( -0.501 -0.689 -1.978) 2.153 5.988 ( 0.501 -0.689 1.978) 2.153 6.210 ( -0.279 -0.196 -3.484) 3.501 6.210 ( 0.279 -0.196 3.484) 3.501 6.370 ( 1.838 -2.430 -1.835) 3.557 6.370 ( -1.838 -2.430 1.835) 3.557 6.681 ( 1.471 -0.269 -0.627) 1.622 6.681 ( -1.471 -0.269 0.627) 1.622 6.729 ( 3.141 3.988 -7.191) 8.802 6.729 ( -3.141 3.988 7.191) 8.802 6.906 ( -1.646 0.853 -1.067) 2.139 6.906 ( 1.646 0.853 1.067) 2.139 7.010 ( -6.903 1.097 0.945) 7.053 7.010 ( 6.903 1.097 -0.945) 7.053 7.240 ( -4.268 -1.729 -0.507) 4.633 7.240 ( 4.268 -1.729 0.507) 4.633 7.433 ( -2.757 0.431 -1.560) 3.197 7.433 ( 2.757 0.431 1.560) 3.197 7.942 ( -5.529 -2.168 -5.078) 7.814 7.942 ( 5.529 -2.168 5.078) 7.814 8.730 ( -4.834 0.434 0.936) 4.943 8.730 ( 4.834 0.434 -0.936) 4.943 9.119 ( -0.855 0.530 -1.285) 1.632 9.119 ( 0.855 0.530 1.285) 1.632 9.272 ( -2.132 0.146 -1.100) 2.403 9.272 ( 2.132 0.146 1.100) 2.403 9.443 ( -2.161 -1.159 -3.128) 3.975 9.443 ( 2.161 -1.159 3.128) 3.975 9.736 ( -0.703 -0.606 -2.712) 2.867 9.736 ( 0.703 -0.606 2.712) 2.867 9.915 ( -0.243 -1.139 -5.733) 5.850 9.915 ( 0.243 -1.139 5.733) 5.850 =================== 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 3/16800 10.0 78.545 113.264 163.181 -0.000 15.938 -0.000 3/16800 20.0 14.587 21.199 29.150 -0.000 3.905 -0.000 3/16800 30.0 6.538 9.238 12.851 -0.000 1.852 -0.000 3/16800 40.0 4.103 5.594 7.843 -0.000 1.130 -0.000 3/16800 50.0 2.985 3.944 5.549 -0.000 0.784 -0.000 3/16800 60.0 2.350 3.027 4.264 -0.000 0.588 -0.000 3/16800 70.0 1.944 2.451 3.455 -0.000 0.465 -0.000 3/16800 80.0 1.662 2.060 2.903 -0.000 0.382 -0.000 3/16800 90.0 1.455 1.777 2.505 -0.000 0.323 -0.000 3/16800 100.0 1.297 1.564 2.205 -0.000 0.279 -0.000 3/16800 110.0 1.172 1.398 1.971 -0.000 0.245 -0.000 3/16800 120.0 1.070 1.265 1.784 -0.000 0.219 -0.000 3/16800 130.0 0.986 1.156 1.630 -0.000 0.197 -0.000 3/16800 140.0 0.914 1.065 1.502 -0.000 0.179 -0.000 3/16800 150.0 0.853 0.987 1.393 -0.000 0.164 -0.000 3/16800 160.0 0.799 0.921 1.299 -0.000 0.152 -0.000 3/16800 170.0 0.752 0.863 1.218 -0.000 0.141 -0.000 3/16800 180.0 0.711 0.812 1.146 -0.000 0.132 -0.000 3/16800 190.0 0.674 0.767 1.083 -0.000 0.124 -0.000 3/16800 200.0 0.640 0.727 1.026 -0.000 0.116 -0.000 3/16800 210.0 0.610 0.691 0.975 -0.000 0.110 -0.000 3/16800 220.0 0.583 0.658 0.929 -0.000 0.104 -0.000 3/16800 230.0 0.558 0.628 0.888 -0.000 0.099 -0.000 3/16800 240.0 0.535 0.601 0.849 -0.000 0.094 -0.000 3/16800 250.0 0.514 0.577 0.815 -0.000 0.090 -0.000 3/16800 260.0 0.494 0.554 0.783 -0.000 0.086 -0.000 3/16800 270.0 0.476 0.533 0.753 -0.000 0.083 -0.000 3/16800 280.0 0.459 0.513 0.725 -0.000 0.080 -0.000 3/16800 290.0 0.444 0.495 0.700 -0.000 0.077 -0.000 3/16800 300.0 0.429 0.479 0.676 -0.000 0.074 -0.000 3/16800 310.0 0.415 0.463 0.654 -0.000 0.071 -0.000 3/16800 320.0 0.402 0.448 0.633 -0.000 0.069 -0.000 3/16800 330.0 0.390 0.434 0.614 -0.000 0.067 -0.000 3/16800 340.0 0.379 0.421 0.596 -0.000 0.064 -0.000 3/16800 350.0 0.368 0.409 0.578 -0.000 0.062 -0.000 3/16800 360.0 0.358 0.398 0.562 -0.000 0.061 -0.000 3/16800 370.0 0.349 0.387 0.547 -0.000 0.059 -0.000 3/16800 380.0 0.340 0.377 0.532 -0.000 0.057 -0.000 3/16800 390.0 0.331 0.367 0.519 -0.000 0.056 -0.000 3/16800 400.0 0.323 0.358 0.506 -0.000 0.054 -0.000 3/16800 410.0 0.315 0.349 0.493 -0.000 0.053 -0.000 3/16800 420.0 0.307 0.340 0.481 -0.000 0.051 -0.000 3/16800 430.0 0.300 0.332 0.470 -0.000 0.050 -0.000 3/16800 440.0 0.294 0.325 0.459 -0.000 0.049 -0.000 3/16800 450.0 0.287 0.318 0.449 -0.000 0.048 -0.000 3/16800 460.0 0.281 0.311 0.439 -0.000 0.047 -0.000 3/16800 470.0 0.275 0.304 0.430 -0.000 0.046 -0.000 3/16800 480.0 0.269 0.298 0.421 -0.000 0.045 -0.000 3/16800 490.0 0.264 0.291 0.412 -0.000 0.044 -0.000 3/16800 500.0 0.259 0.286 0.404 -0.000 0.043 -0.000 3/16800 510.0 0.254 0.280 0.396 -0.000 0.042 -0.000 3/16800 520.0 0.249 0.275 0.388 -0.000 0.041 -0.000 3/16800 530.0 0.244 0.269 0.381 -0.000 0.040 -0.000 3/16800 540.0 0.240 0.264 0.374 -0.000 0.040 -0.000 3/16800 550.0 0.235 0.260 0.367 -0.000 0.039 -0.000 3/16800 560.0 0.231 0.255 0.360 -0.000 0.038 -0.000 3/16800 570.0 0.227 0.250 0.354 -0.000 0.037 -0.000 3/16800 580.0 0.223 0.246 0.348 -0.000 0.037 -0.000 3/16800 590.0 0.219 0.242 0.342 -0.000 0.036 -0.000 3/16800 600.0 0.216 0.238 0.336 -0.000 0.036 -0.000 3/16800 610.0 0.212 0.234 0.331 -0.000 0.035 -0.000 3/16800 620.0 0.209 0.230 0.325 -0.000 0.034 -0.000 3/16800 630.0 0.206 0.226 0.320 -0.000 0.034 -0.000 3/16800 640.0 0.202 0.223 0.315 -0.000 0.033 -0.000 3/16800 650.0 0.199 0.219 0.310 -0.000 0.033 -0.000 3/16800 660.0 0.196 0.216 0.306 -0.000 0.032 -0.000 3/16800 670.0 0.193 0.213 0.301 -0.000 0.032 -0.000 3/16800 680.0 0.190 0.210 0.297 -0.000 0.031 -0.000 3/16800 690.0 0.188 0.207 0.292 -0.000 0.031 -0.000 3/16800 700.0 0.185 0.204 0.288 -0.000 0.030 -0.000 3/16800 710.0 0.182 0.201 0.284 -0.000 0.030 -0.000 3/16800 720.0 0.180 0.198 0.280 -0.000 0.030 -0.000 3/16800 730.0 0.177 0.195 0.276 -0.000 0.029 -0.000 3/16800 740.0 0.175 0.193 0.273 -0.000 0.029 -0.000 3/16800 750.0 0.173 0.190 0.269 -0.000 0.028 -0.000 3/16800 760.0 0.171 0.188 0.265 -0.000 0.028 -0.000 3/16800 770.0 0.168 0.185 0.262 -0.000 0.028 -0.000 3/16800 780.0 0.166 0.183 0.259 -0.000 0.027 -0.000 3/16800 790.0 0.164 0.180 0.255 -0.000 0.027 -0.000 3/16800 800.0 0.162 0.178 0.252 -0.000 0.027 -0.000 3/16800 810.0 0.160 0.176 0.249 -0.000 0.026 -0.000 3/16800 820.0 0.158 0.174 0.246 -0.000 0.026 -0.000 3/16800 830.0 0.156 0.172 0.243 -0.000 0.026 -0.000 3/16800 840.0 0.154 0.170 0.240 -0.000 0.025 -0.000 3/16800 850.0 0.153 0.168 0.237 -0.000 0.025 -0.000 3/16800 860.0 0.151 0.166 0.234 -0.000 0.025 -0.000 3/16800 870.0 0.149 0.164 0.232 -0.000 0.024 -0.000 3/16800 880.0 0.147 0.162 0.229 -0.000 0.024 -0.000 3/16800 890.0 0.146 0.160 0.227 -0.000 0.024 -0.000 3/16800 900.0 0.144 0.158 0.224 -0.000 0.024 -0.000 3/16800 910.0 0.142 0.157 0.222 -0.000 0.023 -0.000 3/16800 920.0 0.141 0.155 0.219 -0.000 0.023 -0.000 3/16800 930.0 0.139 0.153 0.217 -0.000 0.023 -0.000 3/16800 940.0 0.138 0.152 0.215 -0.000 0.023 -0.000 3/16800 950.0 0.137 0.150 0.212 -0.000 0.022 -0.000 3/16800 960.0 0.135 0.148 0.210 -0.000 0.022 -0.000 3/16800 970.0 0.134 0.147 0.208 -0.000 0.022 -0.000 3/16800 980.0 0.132 0.145 0.206 -0.000 0.022 -0.000 3/16800 990.0 0.131 0.144 0.204 -0.000 0.021 -0.000 3/16800 1000.0 0.130 0.143 0.202 -0.000 0.021 -0.000 3/16800 Thermal conductivity related properties were written into "kappa-m558.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:07:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|