----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 03:31:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.858233980653017 0.000000000000000 0.000000000000000 b 0.000000000000000 5.242730010000000 0.000000000000000 c -4.710362374123161 0.000000000000000 9.142051935660893 Atomic positions (fractional): *1 Na 0.66475735811746 0.76901100236257 0.87984141955946 22.990 *2 Na 0.42836142976903 0.22708196677532 0.86464484631960 22.990 *3 Na 0.93383817758805 0.19956355301485 0.84722090421823 22.990 4 Na 0.57163857023097 0.22708196677532 0.63535515368040 22.990 5 Na 0.33524264188254 0.76901100236257 0.62015858044054 22.990 6 Na 0.06616182241195 0.19956355301485 0.65277909578177 22.990 7 Na 0.93383817758805 0.80043644698515 0.34722090421823 22.990 8 Na 0.66475735811746 0.23098899763743 0.37984141955946 22.990 9 Na 0.42836142976903 0.77291803322468 0.36464484631960 22.990 10 Na 0.06616182241195 0.80043644698515 0.15277909578177 22.990 11 Na 0.57163857023097 0.77291803322468 0.13535515368040 22.990 12 Na 0.33524264188254 0.23098899763743 0.12015858044054 22.990 *13 Ti 0.21180631321815 0.69639847630690 0.89476325703568 47.867 14 Ti 0.78819368678185 0.69639847630690 0.60523674296432 47.867 15 Ti 0.21180631321815 0.30360152369310 0.39476325703568 47.867 16 Ti 0.78819368678185 0.30360152369310 0.10523674296432 47.867 *17 O 0.72609679720046 0.21176259594897 0.91673589470264 15.999 *18 O 0.38828500418518 0.77040019811835 0.85900371713381 15.999 *19 O 0.19051591156407 0.35610632388972 0.88677439452524 15.999 20 O 0.61171499581482 0.77040019811835 0.64099628286619 15.999 *21 O 0.00000000000000 0.83162403843594 0.75000000000000 15.999 22 O 0.27390320279954 0.21176259594897 0.58326410529736 15.999 23 O 0.80948408843593 0.35610632388972 0.61322560547476 15.999 24 O 0.19051591156407 0.64389367611029 0.38677439452524 15.999 25 O 0.72609679720046 0.78823740405103 0.41673589470264 15.999 26 O 0.00000000000000 0.16837596156406 0.25000000000000 15.999 27 O 0.38828500418518 0.22959980188165 0.35900371713381 15.999 28 O 0.80948408843593 0.64389367611029 0.11322560547476 15.999 29 O 0.61171499581482 0.22959980188165 0.14099628286619 15.999 30 O 0.27390320279954 0.78823740405103 0.08326410529736 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.858233980653017 0.000000000000000 0.000000000000000 b 0.000000000000000 5.242730010000000 0.000000000000000 c -4.710362374123161 0.000000000000000 9.142051935660893 Atomic positions (fractional): *1 Na 0.66475735811746 0.76901100236257 0.87984141955946 22.990 > 1 *2 Na 0.42836142976903 0.22708196677532 0.86464484631960 22.990 > 2 *3 Na 0.93383817758805 0.19956355301485 0.84722090421823 22.990 > 3 4 Na 0.57163857023097 0.22708196677532 0.63535515368040 22.990 > 4 5 Na 0.33524264188254 0.76901100236257 0.62015858044054 22.990 > 5 6 Na 0.06616182241195 0.19956355301485 0.65277909578177 22.990 > 6 7 Na 0.93383817758805 0.80043644698515 0.34722090421823 22.990 > 7 8 Na 0.66475735811746 0.23098899763743 0.37984141955946 22.990 > 8 9 Na 0.42836142976903 0.77291803322468 0.36464484631960 22.990 > 9 10 Na 0.06616182241195 0.80043644698515 0.15277909578177 22.990 > 10 11 Na 0.57163857023097 0.77291803322468 0.13535515368040 22.990 > 11 12 Na 0.33524264188254 0.23098899763743 0.12015858044054 22.990 > 12 *13 Ti 0.21180631321815 0.69639847630690 0.89476325703568 47.867 > 13 14 Ti 0.78819368678185 0.69639847630690 0.60523674296432 47.867 > 14 15 Ti 0.21180631321815 0.30360152369310 0.39476325703568 47.867 > 15 16 Ti 0.78819368678185 0.30360152369310 0.10523674296432 47.867 > 16 *17 O 0.72609679720046 0.21176259594897 0.91673589470264 15.999 > 17 *18 O 0.38828500418518 0.77040019811835 0.85900371713381 15.999 > 18 *19 O 0.19051591156407 0.35610632388972 0.88677439452524 15.999 > 19 20 O 0.61171499581482 0.77040019811835 0.64099628286619 15.999 > 20 *21 O 0.00000000000000 0.83162403843594 0.75000000000000 15.999 > 21 22 O 0.27390320279954 0.21176259594897 0.58326410529736 15.999 > 22 23 O 0.80948408843593 0.35610632388972 0.61322560547476 15.999 > 23 24 O 0.19051591156407 0.64389367611029 0.38677439452524 15.999 > 24 25 O 0.72609679720046 0.78823740405103 0.41673589470264 15.999 > 25 26 O 0.00000000000000 0.16837596156406 0.25000000000000 15.999 > 26 27 O 0.38828500418518 0.22959980188165 0.35900371713381 15.999 > 27 28 O 0.80948408843593 0.64389367611029 0.11322560547476 15.999 > 28 29 O 0.61171499581482 0.22959980188165 0.14099628286619 15.999 > 29 30 O 0.27390320279954 0.78823740405103 0.08326410529736 15.999 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.716467961306034 0.000000000000000 0.000000000000000 b 0.000000000000000 10.485460020000000 0.000000000000000 c -4.710362374123161 0.000000000000000 9.142051935660893 Atomic positions (fractional): *1 Na 0.33237867905873 0.38450550118129 0.87984141955946 22.990 > 1 2 Na 0.83237867905873 0.38450550118129 0.87984141955946 22.990 > 1 3 Na 0.33237867905873 0.88450550118129 0.87984141955946 22.990 > 1 4 Na 0.83237867905873 0.88450550118129 0.87984141955946 22.990 > 1 *5 Na 0.21418071488452 0.11354098338766 0.86464484631960 22.990 > 2 6 Na 0.71418071488452 0.11354098338766 0.86464484631960 22.990 > 2 7 Na 0.21418071488452 0.61354098338766 0.86464484631960 22.990 > 2 8 Na 0.71418071488452 0.61354098338766 0.86464484631960 22.990 > 2 *9 Na 0.46691908879403 0.09978177650742 0.84722090421823 22.990 > 3 10 Na 0.96691908879403 0.09978177650742 0.84722090421823 22.990 > 3 11 Na 0.46691908879403 0.59978177650742 0.84722090421823 22.990 > 3 12 Na 0.96691908879403 0.59978177650742 0.84722090421823 22.990 > 3 13 Na 0.28581928511548 0.11354098338766 0.63535515368040 22.990 > 4 14 Na 0.78581928511548 0.11354098338766 0.63535515368040 22.990 > 4 15 Na 0.28581928511548 0.61354098338766 0.63535515368040 22.990 > 4 16 Na 0.78581928511548 0.61354098338766 0.63535515368040 22.990 > 4 17 Na 0.16762132094127 0.38450550118129 0.62015858044054 22.990 > 5 18 Na 0.66762132094127 0.38450550118129 0.62015858044054 22.990 > 5 19 Na 0.16762132094127 0.88450550118129 0.62015858044054 22.990 > 5 20 Na 0.66762132094127 0.88450550118129 0.62015858044054 22.990 > 5 21 Na 0.03308091120597 0.09978177650742 0.65277909578177 22.990 > 6 22 Na 0.53308091120597 0.09978177650742 0.65277909578177 22.990 > 6 23 Na 0.03308091120597 0.59978177650742 0.65277909578177 22.990 > 6 24 Na 0.53308091120597 0.59978177650742 0.65277909578177 22.990 > 6 25 Na 0.46691908879403 0.40021822349258 0.34722090421823 22.990 > 7 26 Na 0.96691908879403 0.40021822349258 0.34722090421823 22.990 > 7 27 Na 0.46691908879403 0.90021822349258 0.34722090421823 22.990 > 7 28 Na 0.96691908879403 0.90021822349258 0.34722090421823 22.990 > 7 29 Na 0.33237867905873 0.11549449881871 0.37984141955946 22.990 > 8 30 Na 0.83237867905873 0.11549449881871 0.37984141955946 22.990 > 8 31 Na 0.33237867905873 0.61549449881871 0.37984141955946 22.990 > 8 32 Na 0.83237867905873 0.61549449881871 0.37984141955946 22.990 > 8 33 Na 0.21418071488452 0.38645901661234 0.36464484631960 22.990 > 9 34 Na 0.71418071488452 0.38645901661234 0.36464484631960 22.990 > 9 35 Na 0.21418071488452 0.88645901661234 0.36464484631960 22.990 > 9 36 Na 0.71418071488452 0.88645901661234 0.36464484631960 22.990 > 9 37 Na 0.03308091120597 0.40021822349258 0.15277909578177 22.990 > 10 38 Na 0.53308091120597 0.40021822349258 0.15277909578177 22.990 > 10 39 Na 0.03308091120597 0.90021822349258 0.15277909578177 22.990 > 10 40 Na 0.53308091120597 0.90021822349258 0.15277909578177 22.990 > 10 41 Na 0.28581928511548 0.38645901661234 0.13535515368040 22.990 > 11 42 Na 0.78581928511548 0.38645901661234 0.13535515368040 22.990 > 11 43 Na 0.28581928511548 0.88645901661234 0.13535515368040 22.990 > 11 44 Na 0.78581928511548 0.88645901661234 0.13535515368040 22.990 > 11 45 Na 0.16762132094127 0.11549449881871 0.12015858044054 22.990 > 12 46 Na 0.66762132094127 0.11549449881871 0.12015858044054 22.990 > 12 47 Na 0.16762132094127 0.61549449881871 0.12015858044054 22.990 > 12 48 Na 0.66762132094127 0.61549449881871 0.12015858044054 22.990 > 12 *49 Ti 0.10590315660908 0.34819923815345 0.89476325703568 47.867 > 13 50 Ti 0.60590315660908 0.34819923815345 0.89476325703568 47.867 > 13 51 Ti 0.10590315660908 0.84819923815345 0.89476325703568 47.867 > 13 52 Ti 0.60590315660908 0.84819923815345 0.89476325703568 47.867 > 13 53 Ti 0.39409684339092 0.34819923815345 0.60523674296432 47.867 > 14 54 Ti 0.89409684339092 0.34819923815345 0.60523674296432 47.867 > 14 55 Ti 0.39409684339092 0.84819923815345 0.60523674296432 47.867 > 14 56 Ti 0.89409684339092 0.84819923815345 0.60523674296432 47.867 > 14 57 Ti 0.10590315660908 0.15180076184655 0.39476325703568 47.867 > 15 58 Ti 0.60590315660908 0.15180076184655 0.39476325703568 47.867 > 15 59 Ti 0.10590315660908 0.65180076184655 0.39476325703568 47.867 > 15 60 Ti 0.60590315660908 0.65180076184655 0.39476325703568 47.867 > 15 61 Ti 0.39409684339092 0.15180076184655 0.10523674296432 47.867 > 16 62 Ti 0.89409684339092 0.15180076184655 0.10523674296432 47.867 > 16 63 Ti 0.39409684339092 0.65180076184655 0.10523674296432 47.867 > 16 64 Ti 0.89409684339092 0.65180076184655 0.10523674296432 47.867 > 16 *65 O 0.36304839860023 0.10588129797449 0.91673589470264 15.999 > 17 66 O 0.86304839860023 0.10588129797449 0.91673589470264 15.999 > 17 67 O 0.36304839860023 0.60588129797449 0.91673589470264 15.999 > 17 68 O 0.86304839860023 0.60588129797449 0.91673589470264 15.999 > 17 *69 O 0.19414250209259 0.38520009905918 0.85900371713381 15.999 > 18 70 O 0.69414250209259 0.38520009905918 0.85900371713381 15.999 > 18 71 O 0.19414250209259 0.88520009905918 0.85900371713381 15.999 > 18 72 O 0.69414250209259 0.88520009905918 0.85900371713381 15.999 > 18 *73 O 0.09525795578203 0.17805316194486 0.88677439452524 15.999 > 19 74 O 0.59525795578203 0.17805316194486 0.88677439452524 15.999 > 19 75 O 0.09525795578203 0.67805316194486 0.88677439452524 15.999 > 19 76 O 0.59525795578203 0.67805316194486 0.88677439452524 15.999 > 19 77 O 0.30585749790741 0.38520009905918 0.64099628286619 15.999 > 20 78 O 0.80585749790741 0.38520009905918 0.64099628286619 15.999 > 20 79 O 0.30585749790741 0.88520009905918 0.64099628286619 15.999 > 20 80 O 0.80585749790741 0.88520009905918 0.64099628286619 15.999 > 20 *81 O 0.00000000000000 0.41581201921797 0.75000000000000 15.999 > 21 82 O 0.50000000000000 0.41581201921797 0.75000000000000 15.999 > 21 83 O 0.00000000000000 0.91581201921797 0.75000000000000 15.999 > 21 84 O 0.50000000000000 0.91581201921797 0.75000000000000 15.999 > 21 85 O 0.13695160139977 0.10588129797449 0.58326410529736 15.999 > 22 86 O 0.63695160139977 0.10588129797449 0.58326410529736 15.999 > 22 87 O 0.13695160139977 0.60588129797449 0.58326410529736 15.999 > 22 88 O 0.63695160139977 0.60588129797449 0.58326410529736 15.999 > 22 89 O 0.40474204421797 0.17805316194486 0.61322560547476 15.999 > 23 90 O 0.90474204421797 0.17805316194486 0.61322560547476 15.999 > 23 91 O 0.40474204421797 0.67805316194486 0.61322560547476 15.999 > 23 92 O 0.90474204421797 0.67805316194486 0.61322560547476 15.999 > 23 93 O 0.09525795578203 0.32194683805514 0.38677439452524 15.999 > 24 94 O 0.59525795578203 0.32194683805514 0.38677439452524 15.999 > 24 95 O 0.09525795578203 0.82194683805514 0.38677439452524 15.999 > 24 96 O 0.59525795578203 0.82194683805514 0.38677439452524 15.999 > 24 97 O 0.36304839860023 0.39411870202551 0.41673589470264 15.999 > 25 98 O 0.86304839860023 0.39411870202551 0.41673589470264 15.999 > 25 99 O 0.36304839860023 0.89411870202551 0.41673589470264 15.999 > 25 100 O 0.86304839860023 0.89411870202551 0.41673589470264 15.999 > 25 101 O 0.00000000000000 0.08418798078203 0.25000000000000 15.999 > 26 102 O 0.50000000000000 0.08418798078203 0.25000000000000 15.999 > 26 103 O 0.00000000000000 0.58418798078203 0.25000000000000 15.999 > 26 104 O 0.50000000000000 0.58418798078203 0.25000000000000 15.999 > 26 105 O 0.19414250209259 0.11479990094082 0.35900371713381 15.999 > 27 106 O 0.69414250209259 0.11479990094082 0.35900371713381 15.999 > 27 107 O 0.19414250209259 0.61479990094082 0.35900371713381 15.999 > 27 108 O 0.69414250209259 0.61479990094082 0.35900371713381 15.999 > 27 109 O 0.40474204421797 0.32194683805514 0.11322560547476 15.999 > 28 110 O 0.90474204421797 0.32194683805514 0.11322560547476 15.999 > 28 111 O 0.40474204421797 0.82194683805514 0.11322560547476 15.999 > 28 112 O 0.90474204421797 0.82194683805514 0.11322560547476 15.999 > 28 113 O 0.30585749790741 0.11479990094082 0.14099628286619 15.999 > 29 114 O 0.80585749790741 0.11479990094082 0.14099628286619 15.999 > 29 115 O 0.30585749790741 0.61479990094082 0.14099628286619 15.999 > 29 116 O 0.80585749790741 0.61479990094082 0.14099628286619 15.999 > 29 117 O 0.13695160139977 0.39411870202551 0.08326410529736 15.999 > 30 118 O 0.63695160139977 0.39411870202551 0.08326410529736 15.999 > 30 119 O 0.13695160139977 0.89411870202551 0.08326410529736 15.999 > 30 120 O 0.63695160139977 0.89411870202551 0.08326410529736 15.999 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9419500 0.0000000 0.0639251 0.0000000 2.9074027 0.0000000 0.0639267 0.0000000 2.9365466 -------------------------- Born effective charges -------------------------- 1 Na 1.0878007 -0.0074794 -0.1385316 0.0161369 1.0830917 -0.0805731 -0.0130157 0.0210263 1.0470542 2 Na 1.0276247 0.0155741 0.1267954 -0.0968581 1.0630941 0.0035793 0.1817172 0.0171582 1.1490101 3 Na 1.0225714 -0.0115919 -0.0372586 0.0585971 1.1167831 -0.0748319 -0.1614111 0.0002570 0.9690440 4 Na 1.0276247 -0.0155741 0.1267954 0.0968581 1.0630941 -0.0035793 0.1817172 -0.0171582 1.1490101 5 Na 1.0878007 0.0074794 -0.1385316 -0.0161369 1.0830917 0.0805731 -0.0130157 -0.0210263 1.0470542 6 Na 1.0225714 0.0115919 -0.0372586 -0.0585971 1.1167831 0.0748319 -0.1614111 -0.0002570 0.9690440 7 Na 1.0225714 0.0115919 -0.0372586 -0.0585971 1.1167831 0.0748319 -0.1614111 -0.0002570 0.9690440 8 Na 1.0878007 0.0074794 -0.1385316 -0.0161369 1.0830917 0.0805731 -0.0130157 -0.0210263 1.0470542 9 Na 1.0276247 -0.0155741 0.1267954 0.0968581 1.0630941 -0.0035793 0.1817172 -0.0171582 1.1490101 10 Na 1.0225714 -0.0115919 -0.0372586 0.0585971 1.1167831 -0.0748319 -0.1614111 0.0002570 0.9690440 11 Na 1.0276247 0.0155741 0.1267954 -0.0968581 1.0630941 0.0035793 0.1817172 0.0171582 1.1490101 12 Na 1.0878007 -0.0074794 -0.1385316 0.0161369 1.0830917 -0.0805731 -0.0130157 0.0210263 1.0470542 13 Ti 3.0138654 0.0307182 0.3180069 0.2104234 2.8331616 0.2149191 0.2819784 0.0282100 3.0530543 14 Ti 3.0138654 -0.0307182 0.3180069 -0.2104234 2.8331616 -0.2149191 0.2819784 -0.0282100 3.0530543 15 Ti 3.0138654 -0.0307182 0.3180069 -0.2104234 2.8331616 -0.2149191 0.2819784 -0.0282100 3.0530543 16 Ti 3.0138654 0.0307182 0.3180069 0.2104234 2.8331616 0.2149191 0.2819784 0.0282100 3.0530543 17 O -1.2043926 0.1207286 0.3698366 0.1089100 -1.3462325 -0.4697470 0.3138994 -0.4492557 -2.7551703 18 O -2.8017827 -0.3765072 0.2922957 -0.3961251 -1.2957948 0.1469319 0.1987126 0.1238271 -1.2269528 19 O -1.0646352 -0.1931135 -0.1239532 -0.1262798 -2.7618908 -0.0466190 -0.0596854 -0.1437711 -1.0343223 20 O -2.8017827 0.3765072 0.2922957 0.3961251 -1.2957948 -0.1469319 0.1987126 -0.1238271 -1.2269528 21 O -2.1621032 0.0000000 -1.6143825 0.0000000 -1.3844251 0.0000000 -1.4843907 0.0000000 -2.4034344 22 O -1.2043926 -0.1207286 0.3698366 -0.1089100 -1.3462325 0.4697470 0.3138994 0.4492557 -2.7551703 23 O -1.0646352 0.1931135 -0.1239532 0.1262798 -2.7618908 0.0466190 -0.0596854 0.1437711 -1.0343223 24 O -1.0646352 0.1931135 -0.1239532 0.1262798 -2.7618908 0.0466190 -0.0596854 0.1437711 -1.0343223 25 O -1.2043926 -0.1207286 0.3698366 -0.1089100 -1.3462325 0.4697470 0.3138994 0.4492557 -2.7551703 26 O -2.1621032 0.0000000 -1.6143825 0.0000000 -1.3844251 0.0000000 -1.4843907 0.0000000 -2.4034344 27 O -2.8017827 0.3765072 0.2922957 0.3961251 -1.2957948 -0.1469319 0.1987126 -0.1238271 -1.2269528 28 O -1.0646352 -0.1931135 -0.1239532 -0.1262798 -2.7618908 -0.0466190 -0.0596854 -0.1437711 -1.0343223 29 O -2.8017827 -0.3765072 0.2922957 -0.3961251 -1.2957948 0.1469319 0.1987126 0.1238271 -1.2269528 30 O -1.2043926 0.1207286 0.3698366 0.1089100 -1.3462325 -0.4697470 0.3138994 -0.4492557 -2.7551703 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4232 Number of blocks in projector: 4232 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: 904 Use submatrix version of eigh solver. (1) Block: 500 / 904 (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: 904 / 904 (1) 393 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: 896 Use submatrix version of eigh solver. (1) Block: 500 / 896 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 896 / 896 (1) 382 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 896 Use submatrix version of eigh solver. (1) Block: 500 / 896 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 896 / 896 (1) 382 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 254 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 254 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 254 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4232, 4165), data: False |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 8), data: (512, 16) @ (16, 8) |-- (262, 254), data: True |-- (250, 242), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 8), data: (512, 16) @ (16, 8) |-- (262, 254), data: True |-- (250, 242), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 8), data: (512, 16) @ (16, 8) |-- (262, 254), data: True |-- (250, 242), data: True |-- (896, 882), data: False |-- (896, 14), data: (896, 28) @ (28, 14) |-- (396, 382), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (896, 882), data: False |-- (896, 14), data: (896, 28) @ (28, 14) |-- (396, 382), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (904, 889), data: False |-- (904, 11), data: (904, 26) @ (26, 11) |-- (404, 393), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 960 - Time: 1.180 Solver_block: 200 / 960 - Time: 1.107 Solver_block: 300 / 960 - Time: 1.118 Solver_block: 400 / 960 - Time: 1.101 Solver_block: 500 / 960 - Time: 1.130 Solver_block: 600 / 960 - Time: 1.132 Solver_block: 700 / 960 - Time: 1.112 Solver_block: 800 / 960 - Time: 1.118 Solver_block: 900 / 960 - Time: 1.113 Solver_block: 960 / 960 - Time: 0.724 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 11.089 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4232 Number of blocks in projector: 4232 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: 904 Use submatrix version of eigh solver. (1) Block: 500 / 904 (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: 904 / 904 (1) 393 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: 896 Use submatrix version of eigh solver. (1) Block: 500 / 896 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 896 / 896 (1) 382 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 896 Use submatrix version of eigh solver. (1) Block: 500 / 896 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 896 / 896 (1) 382 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 254 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 254 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 254 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4232, 4165), data: False |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 8), data: (512, 16) @ (16, 8) |-- (262, 254), data: True |-- (250, 242), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 8), data: (512, 16) @ (16, 8) |-- (262, 254), data: True |-- (250, 242), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 8), data: (512, 16) @ (16, 8) |-- (262, 254), data: True |-- (250, 242), data: True |-- (896, 882), data: False |-- (896, 14), data: (896, 28) @ (28, 14) |-- (396, 382), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (896, 882), data: False |-- (896, 14), data: (896, 28) @ (28, 14) |-- (396, 382), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (904, 889), data: False |-- (904, 11), data: (904, 26) @ (26, 11) |-- (404, 393), 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 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 03:31:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:31:59]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.858233980653017 0.000000000000000 0.000000000000000 b 0.000000000000000 5.242730010000000 0.000000000000000 c -4.710362374123161 0.000000000000000 9.142051935660893 Atomic positions (fractional): 1 Na 0.66475735811746 0.76901100236257 0.87984141955946 22.990 2 Na 0.42836142976903 0.22708196677532 0.86464484631960 22.990 3 Na 0.93383817758805 0.19956355301485 0.84722090421823 22.990 4 Na 0.57163857023097 0.22708196677532 0.63535515368040 22.990 5 Na 0.33524264188254 0.76901100236257 0.62015858044054 22.990 6 Na 0.06616182241195 0.19956355301485 0.65277909578177 22.990 7 Na 0.93383817758805 0.80043644698515 0.34722090421823 22.990 8 Na 0.66475735811746 0.23098899763743 0.37984141955946 22.990 9 Na 0.42836142976903 0.77291803322468 0.36464484631960 22.990 10 Na 0.06616182241195 0.80043644698515 0.15277909578177 22.990 11 Na 0.57163857023097 0.77291803322468 0.13535515368040 22.990 12 Na 0.33524264188254 0.23098899763743 0.12015858044054 22.990 13 Ti 0.21180631321815 0.69639847630690 0.89476325703568 47.867 14 Ti 0.78819368678185 0.69639847630690 0.60523674296432 47.867 15 Ti 0.21180631321815 0.30360152369310 0.39476325703568 47.867 16 Ti 0.78819368678185 0.30360152369310 0.10523674296432 47.867 17 O 0.72609679720046 0.21176259594897 0.91673589470264 15.999 18 O 0.38828500418518 0.77040019811835 0.85900371713381 15.999 19 O 0.19051591156407 0.35610632388972 0.88677439452524 15.999 20 O 0.61171499581482 0.77040019811835 0.64099628286619 15.999 21 O 0.00000000000000 0.83162403843594 0.75000000000000 15.999 22 O 0.27390320279954 0.21176259594897 0.58326410529736 15.999 23 O 0.80948408843593 0.35610632388972 0.61322560547476 15.999 24 O 0.19051591156407 0.64389367611029 0.38677439452524 15.999 25 O 0.72609679720046 0.78823740405103 0.41673589470264 15.999 26 O 0.00000000000000 0.16837596156406 0.25000000000000 15.999 27 O 0.38828500418518 0.22959980188165 0.35900371713381 15.999 28 O 0.80948408843593 0.64389367611029 0.11322560547476 15.999 29 O 0.61171499581482 0.22959980188165 0.14099628286619 15.999 30 O 0.27390320279954 0.78823740405103 0.08326410529736 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.716467961306034 0.000000000000000 0.000000000000000 b 0.000000000000000 10.485460020000000 0.000000000000000 c -4.710362374123161 0.000000000000000 9.142051935660893 Atomic positions (fractional): 1 Na 0.33237867905873 0.38450550118129 0.87984141955946 22.990 > 1 2 Na 0.83237867905873 0.38450550118129 0.87984141955946 22.990 > 1 3 Na 0.33237867905873 0.88450550118129 0.87984141955946 22.990 > 1 4 Na 0.83237867905873 0.88450550118129 0.87984141955946 22.990 > 1 5 Na 0.21418071488452 0.11354098338766 0.86464484631960 22.990 > 5 6 Na 0.71418071488452 0.11354098338766 0.86464484631960 22.990 > 5 7 Na 0.21418071488452 0.61354098338766 0.86464484631960 22.990 > 5 8 Na 0.71418071488452 0.61354098338766 0.86464484631960 22.990 > 5 9 Na 0.46691908879403 0.09978177650742 0.84722090421823 22.990 > 9 10 Na 0.96691908879403 0.09978177650742 0.84722090421823 22.990 > 9 11 Na 0.46691908879403 0.59978177650742 0.84722090421823 22.990 > 9 12 Na 0.96691908879403 0.59978177650742 0.84722090421823 22.990 > 9 13 Na 0.28581928511548 0.11354098338766 0.63535515368040 22.990 > 13 14 Na 0.78581928511548 0.11354098338766 0.63535515368040 22.990 > 13 15 Na 0.28581928511548 0.61354098338766 0.63535515368040 22.990 > 13 16 Na 0.78581928511548 0.61354098338766 0.63535515368040 22.990 > 13 17 Na 0.16762132094127 0.38450550118129 0.62015858044054 22.990 > 17 18 Na 0.66762132094127 0.38450550118129 0.62015858044054 22.990 > 17 19 Na 0.16762132094127 0.88450550118129 0.62015858044054 22.990 > 17 20 Na 0.66762132094127 0.88450550118129 0.62015858044054 22.990 > 17 21 Na 0.03308091120597 0.09978177650742 0.65277909578177 22.990 > 21 22 Na 0.53308091120597 0.09978177650742 0.65277909578177 22.990 > 21 23 Na 0.03308091120597 0.59978177650742 0.65277909578177 22.990 > 21 24 Na 0.53308091120597 0.59978177650742 0.65277909578177 22.990 > 21 25 Na 0.46691908879403 0.40021822349258 0.34722090421823 22.990 > 25 26 Na 0.96691908879403 0.40021822349258 0.34722090421823 22.990 > 25 27 Na 0.46691908879403 0.90021822349258 0.34722090421823 22.990 > 25 28 Na 0.96691908879403 0.90021822349258 0.34722090421823 22.990 > 25 29 Na 0.33237867905873 0.11549449881871 0.37984141955946 22.990 > 29 30 Na 0.83237867905873 0.11549449881871 0.37984141955946 22.990 > 29 31 Na 0.33237867905873 0.61549449881871 0.37984141955946 22.990 > 29 32 Na 0.83237867905873 0.61549449881871 0.37984141955946 22.990 > 29 33 Na 0.21418071488452 0.38645901661234 0.36464484631960 22.990 > 33 34 Na 0.71418071488452 0.38645901661234 0.36464484631960 22.990 > 33 35 Na 0.21418071488452 0.88645901661234 0.36464484631960 22.990 > 33 36 Na 0.71418071488452 0.88645901661234 0.36464484631960 22.990 > 33 37 Na 0.03308091120597 0.40021822349258 0.15277909578177 22.990 > 37 38 Na 0.53308091120597 0.40021822349258 0.15277909578177 22.990 > 37 39 Na 0.03308091120597 0.90021822349258 0.15277909578177 22.990 > 37 40 Na 0.53308091120597 0.90021822349258 0.15277909578177 22.990 > 37 41 Na 0.28581928511548 0.38645901661234 0.13535515368040 22.990 > 41 42 Na 0.78581928511548 0.38645901661234 0.13535515368040 22.990 > 41 43 Na 0.28581928511548 0.88645901661234 0.13535515368040 22.990 > 41 44 Na 0.78581928511548 0.88645901661234 0.13535515368040 22.990 > 41 45 Na 0.16762132094127 0.11549449881871 0.12015858044054 22.990 > 45 46 Na 0.66762132094127 0.11549449881871 0.12015858044054 22.990 > 45 47 Na 0.16762132094127 0.61549449881871 0.12015858044054 22.990 > 45 48 Na 0.66762132094127 0.61549449881871 0.12015858044054 22.990 > 45 49 Ti 0.10590315660908 0.34819923815345 0.89476325703568 47.867 > 49 50 Ti 0.60590315660908 0.34819923815345 0.89476325703568 47.867 > 49 51 Ti 0.10590315660908 0.84819923815345 0.89476325703568 47.867 > 49 52 Ti 0.60590315660908 0.84819923815345 0.89476325703568 47.867 > 49 53 Ti 0.39409684339092 0.34819923815345 0.60523674296432 47.867 > 53 54 Ti 0.89409684339092 0.34819923815345 0.60523674296432 47.867 > 53 55 Ti 0.39409684339092 0.84819923815345 0.60523674296432 47.867 > 53 56 Ti 0.89409684339092 0.84819923815345 0.60523674296432 47.867 > 53 57 Ti 0.10590315660908 0.15180076184655 0.39476325703568 47.867 > 57 58 Ti 0.60590315660908 0.15180076184655 0.39476325703568 47.867 > 57 59 Ti 0.10590315660908 0.65180076184655 0.39476325703568 47.867 > 57 60 Ti 0.60590315660908 0.65180076184655 0.39476325703568 47.867 > 57 61 Ti 0.39409684339092 0.15180076184655 0.10523674296432 47.867 > 61 62 Ti 0.89409684339092 0.15180076184655 0.10523674296432 47.867 > 61 63 Ti 0.39409684339092 0.65180076184655 0.10523674296432 47.867 > 61 64 Ti 0.89409684339092 0.65180076184655 0.10523674296432 47.867 > 61 65 O 0.36304839860023 0.10588129797449 0.91673589470264 15.999 > 65 66 O 0.86304839860023 0.10588129797449 0.91673589470264 15.999 > 65 67 O 0.36304839860023 0.60588129797449 0.91673589470264 15.999 > 65 68 O 0.86304839860023 0.60588129797449 0.91673589470264 15.999 > 65 69 O 0.19414250209259 0.38520009905918 0.85900371713381 15.999 > 69 70 O 0.69414250209259 0.38520009905918 0.85900371713381 15.999 > 69 71 O 0.19414250209259 0.88520009905918 0.85900371713381 15.999 > 69 72 O 0.69414250209259 0.88520009905918 0.85900371713381 15.999 > 69 73 O 0.09525795578203 0.17805316194486 0.88677439452524 15.999 > 73 74 O 0.59525795578203 0.17805316194486 0.88677439452524 15.999 > 73 75 O 0.09525795578203 0.67805316194486 0.88677439452524 15.999 > 73 76 O 0.59525795578203 0.67805316194486 0.88677439452524 15.999 > 73 77 O 0.30585749790741 0.38520009905918 0.64099628286619 15.999 > 77 78 O 0.80585749790741 0.38520009905918 0.64099628286619 15.999 > 77 79 O 0.30585749790741 0.88520009905918 0.64099628286619 15.999 > 77 80 O 0.80585749790741 0.88520009905918 0.64099628286619 15.999 > 77 81 O 0.00000000000000 0.41581201921797 0.75000000000000 15.999 > 81 82 O 0.50000000000000 0.41581201921797 0.75000000000000 15.999 > 81 83 O 0.00000000000000 0.91581201921797 0.75000000000000 15.999 > 81 84 O 0.50000000000000 0.91581201921797 0.75000000000000 15.999 > 81 85 O 0.13695160139977 0.10588129797449 0.58326410529736 15.999 > 85 86 O 0.63695160139977 0.10588129797449 0.58326410529736 15.999 > 85 87 O 0.13695160139977 0.60588129797449 0.58326410529736 15.999 > 85 88 O 0.63695160139977 0.60588129797449 0.58326410529736 15.999 > 85 89 O 0.40474204421797 0.17805316194486 0.61322560547476 15.999 > 89 90 O 0.90474204421797 0.17805316194486 0.61322560547476 15.999 > 89 91 O 0.40474204421797 0.67805316194486 0.61322560547476 15.999 > 89 92 O 0.90474204421797 0.67805316194486 0.61322560547476 15.999 > 89 93 O 0.09525795578203 0.32194683805514 0.38677439452524 15.999 > 93 94 O 0.59525795578203 0.32194683805514 0.38677439452524 15.999 > 93 95 O 0.09525795578203 0.82194683805514 0.38677439452524 15.999 > 93 96 O 0.59525795578203 0.82194683805514 0.38677439452524 15.999 > 93 97 O 0.36304839860023 0.39411870202551 0.41673589470264 15.999 > 97 98 O 0.86304839860023 0.39411870202551 0.41673589470264 15.999 > 97 99 O 0.36304839860023 0.89411870202551 0.41673589470264 15.999 > 97 100 O 0.86304839860023 0.89411870202551 0.41673589470264 15.999 > 97 101 O 0.00000000000000 0.08418798078203 0.25000000000000 15.999 > 101 102 O 0.50000000000000 0.08418798078203 0.25000000000000 15.999 > 101 103 O 0.00000000000000 0.58418798078203 0.25000000000000 15.999 > 101 104 O 0.50000000000000 0.58418798078203 0.25000000000000 15.999 > 101 105 O 0.19414250209259 0.11479990094082 0.35900371713381 15.999 > 105 106 O 0.69414250209259 0.11479990094082 0.35900371713381 15.999 > 105 107 O 0.19414250209259 0.61479990094082 0.35900371713381 15.999 > 105 108 O 0.69414250209259 0.61479990094082 0.35900371713381 15.999 > 105 109 O 0.40474204421797 0.32194683805514 0.11322560547476 15.999 > 109 110 O 0.90474204421797 0.32194683805514 0.11322560547476 15.999 > 109 111 O 0.40474204421797 0.82194683805514 0.11322560547476 15.999 > 109 112 O 0.90474204421797 0.82194683805514 0.11322560547476 15.999 > 109 113 O 0.30585749790741 0.11479990094082 0.14099628286619 15.999 > 113 114 O 0.80585749790741 0.11479990094082 0.14099628286619 15.999 > 113 115 O 0.30585749790741 0.61479990094082 0.14099628286619 15.999 > 113 116 O 0.80585749790741 0.61479990094082 0.14099628286619 15.999 > 113 117 O 0.13695160139977 0.39411870202551 0.08326410529736 15.999 > 117 118 O 0.63695160139977 0.39411870202551 0.08326410529736 15.999 > 117 119 O 0.13695160139977 0.89411870202551 0.08326410529736 15.999 > 117 120 O 0.63695160139977 0.89411870202551 0.08326410529736 15.999 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9419500 0.0000000 0.0639251 0.0000000 2.9074027 0.0000000 0.0639267 0.0000000 2.9365466 -------------------------- Born effective charges -------------------------- 1 Na 1.0878007 -0.0074794 -0.1385316 0.0161369 1.0830917 -0.0805731 -0.0130157 0.0210263 1.0470542 2 Na 1.0276247 0.0155741 0.1267954 -0.0968581 1.0630941 0.0035793 0.1817172 0.0171582 1.1490101 3 Na 1.0225714 -0.0115919 -0.0372586 0.0585971 1.1167831 -0.0748319 -0.1614111 0.0002570 0.9690440 4 Na 1.0276247 -0.0155741 0.1267954 0.0968581 1.0630941 -0.0035793 0.1817172 -0.0171582 1.1490101 5 Na 1.0878007 0.0074794 -0.1385316 -0.0161369 1.0830917 0.0805731 -0.0130157 -0.0210263 1.0470542 6 Na 1.0225714 0.0115919 -0.0372586 -0.0585971 1.1167831 0.0748319 -0.1614111 -0.0002570 0.9690440 7 Na 1.0225714 0.0115919 -0.0372586 -0.0585971 1.1167831 0.0748319 -0.1614111 -0.0002570 0.9690440 8 Na 1.0878007 0.0074794 -0.1385316 -0.0161369 1.0830917 0.0805731 -0.0130157 -0.0210263 1.0470542 9 Na 1.0276247 -0.0155741 0.1267954 0.0968581 1.0630941 -0.0035793 0.1817172 -0.0171582 1.1490101 10 Na 1.0225714 -0.0115919 -0.0372586 0.0585971 1.1167831 -0.0748319 -0.1614111 0.0002570 0.9690440 11 Na 1.0276247 0.0155741 0.1267954 -0.0968581 1.0630941 0.0035793 0.1817172 0.0171582 1.1490101 12 Na 1.0878007 -0.0074794 -0.1385316 0.0161369 1.0830917 -0.0805731 -0.0130157 0.0210263 1.0470542 13 Ti 3.0138654 0.0307182 0.3180069 0.2104234 2.8331616 0.2149191 0.2819784 0.0282100 3.0530543 14 Ti 3.0138654 -0.0307182 0.3180069 -0.2104234 2.8331616 -0.2149191 0.2819784 -0.0282100 3.0530543 15 Ti 3.0138654 -0.0307182 0.3180069 -0.2104234 2.8331616 -0.2149191 0.2819784 -0.0282100 3.0530543 16 Ti 3.0138654 0.0307182 0.3180069 0.2104234 2.8331616 0.2149191 0.2819784 0.0282100 3.0530543 17 O -1.2043926 0.1207286 0.3698366 0.1089100 -1.3462325 -0.4697470 0.3138994 -0.4492557 -2.7551703 18 O -2.8017827 -0.3765072 0.2922957 -0.3961251 -1.2957948 0.1469319 0.1987126 0.1238271 -1.2269528 19 O -1.0646352 -0.1931135 -0.1239532 -0.1262798 -2.7618908 -0.0466190 -0.0596854 -0.1437711 -1.0343223 20 O -2.8017827 0.3765072 0.2922957 0.3961251 -1.2957948 -0.1469319 0.1987126 -0.1238271 -1.2269528 21 O -2.1621032 0.0000000 -1.6143825 0.0000000 -1.3844251 0.0000000 -1.4843907 0.0000000 -2.4034344 22 O -1.2043926 -0.1207286 0.3698366 -0.1089100 -1.3462325 0.4697470 0.3138994 0.4492557 -2.7551703 23 O -1.0646352 0.1931135 -0.1239532 0.1262798 -2.7618908 0.0466190 -0.0596854 0.1437711 -1.0343223 24 O -1.0646352 0.1931135 -0.1239532 0.1262798 -2.7618908 0.0466190 -0.0596854 0.1437711 -1.0343223 25 O -1.2043926 -0.1207286 0.3698366 -0.1089100 -1.3462325 0.4697470 0.3138994 0.4492557 -2.7551703 26 O -2.1621032 0.0000000 -1.6143825 0.0000000 -1.3844251 0.0000000 -1.4843907 0.0000000 -2.4034344 27 O -2.8017827 0.3765072 0.2922957 0.3961251 -1.2957948 -0.1469319 0.1987126 -0.1238271 -1.2269528 28 O -1.0646352 -0.1931135 -0.1239532 -0.1262798 -2.7618908 -0.0466190 -0.0596854 -0.1437711 -1.0343223 29 O -2.8017827 -0.3765072 0.2922957 -0.3961251 -1.2957948 0.1469319 0.1987126 0.1238271 -1.2269528 30 O -1.2043926 0.1207286 0.3698366 0.1089100 -1.3462325 -0.4697470 0.3138994 -0.4492557 -2.7551703 ---------------------------------------------------------------------------- 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[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 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[ 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[ 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[ 69, 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[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 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: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (yz) 0.00000002 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:32:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:32:39]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.858233980653017 0.000000000000000 0.000000000000000 b 0.000000000000000 5.242730010000000 0.000000000000000 c -4.710362374123161 0.000000000000000 9.142051935660893 Atomic positions (fractional): 1 Na 0.66475735811746 0.76901100236257 0.87984141955946 22.990 2 Na 0.42836142976903 0.22708196677532 0.86464484631960 22.990 3 Na 0.93383817758805 0.19956355301485 0.84722090421823 22.990 4 Na 0.57163857023097 0.22708196677532 0.63535515368040 22.990 5 Na 0.33524264188254 0.76901100236257 0.62015858044054 22.990 6 Na 0.06616182241195 0.19956355301485 0.65277909578177 22.990 7 Na 0.93383817758805 0.80043644698515 0.34722090421823 22.990 8 Na 0.66475735811746 0.23098899763743 0.37984141955946 22.990 9 Na 0.42836142976903 0.77291803322468 0.36464484631960 22.990 10 Na 0.06616182241195 0.80043644698515 0.15277909578177 22.990 11 Na 0.57163857023097 0.77291803322468 0.13535515368040 22.990 12 Na 0.33524264188254 0.23098899763743 0.12015858044054 22.990 13 Ti 0.21180631321815 0.69639847630690 0.89476325703568 47.867 14 Ti 0.78819368678185 0.69639847630690 0.60523674296432 47.867 15 Ti 0.21180631321815 0.30360152369310 0.39476325703568 47.867 16 Ti 0.78819368678185 0.30360152369310 0.10523674296432 47.867 17 O 0.72609679720046 0.21176259594897 0.91673589470264 15.999 18 O 0.38828500418518 0.77040019811835 0.85900371713381 15.999 19 O 0.19051591156407 0.35610632388972 0.88677439452524 15.999 20 O 0.61171499581482 0.77040019811835 0.64099628286619 15.999 21 O 0.00000000000000 0.83162403843594 0.75000000000000 15.999 22 O 0.27390320279954 0.21176259594897 0.58326410529736 15.999 23 O 0.80948408843593 0.35610632388972 0.61322560547476 15.999 24 O 0.19051591156407 0.64389367611029 0.38677439452524 15.999 25 O 0.72609679720046 0.78823740405103 0.41673589470264 15.999 26 O 0.00000000000000 0.16837596156406 0.25000000000000 15.999 27 O 0.38828500418518 0.22959980188165 0.35900371713381 15.999 28 O 0.80948408843593 0.64389367611029 0.11322560547476 15.999 29 O 0.61171499581482 0.22959980188165 0.14099628286619 15.999 30 O 0.27390320279954 0.78823740405103 0.08326410529736 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.716467961306034 0.000000000000000 0.000000000000000 b 0.000000000000000 10.485460020000000 0.000000000000000 c -4.710362374123161 0.000000000000000 9.142051935660893 Atomic positions (fractional): 1 Na 0.33237867905873 0.38450550118129 0.87984141955946 22.990 > 1 2 Na 0.83237867905873 0.38450550118129 0.87984141955946 22.990 > 1 3 Na 0.33237867905873 0.88450550118129 0.87984141955946 22.990 > 1 4 Na 0.83237867905873 0.88450550118129 0.87984141955946 22.990 > 1 5 Na 0.21418071488452 0.11354098338766 0.86464484631960 22.990 > 5 6 Na 0.71418071488452 0.11354098338766 0.86464484631960 22.990 > 5 7 Na 0.21418071488452 0.61354098338766 0.86464484631960 22.990 > 5 8 Na 0.71418071488452 0.61354098338766 0.86464484631960 22.990 > 5 9 Na 0.46691908879403 0.09978177650742 0.84722090421823 22.990 > 9 10 Na 0.96691908879403 0.09978177650742 0.84722090421823 22.990 > 9 11 Na 0.46691908879403 0.59978177650742 0.84722090421823 22.990 > 9 12 Na 0.96691908879403 0.59978177650742 0.84722090421823 22.990 > 9 13 Na 0.28581928511548 0.11354098338766 0.63535515368040 22.990 > 13 14 Na 0.78581928511548 0.11354098338766 0.63535515368040 22.990 > 13 15 Na 0.28581928511548 0.61354098338766 0.63535515368040 22.990 > 13 16 Na 0.78581928511548 0.61354098338766 0.63535515368040 22.990 > 13 17 Na 0.16762132094127 0.38450550118129 0.62015858044054 22.990 > 17 18 Na 0.66762132094127 0.38450550118129 0.62015858044054 22.990 > 17 19 Na 0.16762132094127 0.88450550118129 0.62015858044054 22.990 > 17 20 Na 0.66762132094127 0.88450550118129 0.62015858044054 22.990 > 17 21 Na 0.03308091120597 0.09978177650742 0.65277909578177 22.990 > 21 22 Na 0.53308091120597 0.09978177650742 0.65277909578177 22.990 > 21 23 Na 0.03308091120597 0.59978177650742 0.65277909578177 22.990 > 21 24 Na 0.53308091120597 0.59978177650742 0.65277909578177 22.990 > 21 25 Na 0.46691908879403 0.40021822349258 0.34722090421823 22.990 > 25 26 Na 0.96691908879403 0.40021822349258 0.34722090421823 22.990 > 25 27 Na 0.46691908879403 0.90021822349258 0.34722090421823 22.990 > 25 28 Na 0.96691908879403 0.90021822349258 0.34722090421823 22.990 > 25 29 Na 0.33237867905873 0.11549449881871 0.37984141955946 22.990 > 29 30 Na 0.83237867905873 0.11549449881871 0.37984141955946 22.990 > 29 31 Na 0.33237867905873 0.61549449881871 0.37984141955946 22.990 > 29 32 Na 0.83237867905873 0.61549449881871 0.37984141955946 22.990 > 29 33 Na 0.21418071488452 0.38645901661234 0.36464484631960 22.990 > 33 34 Na 0.71418071488452 0.38645901661234 0.36464484631960 22.990 > 33 35 Na 0.21418071488452 0.88645901661234 0.36464484631960 22.990 > 33 36 Na 0.71418071488452 0.88645901661234 0.36464484631960 22.990 > 33 37 Na 0.03308091120597 0.40021822349258 0.15277909578177 22.990 > 37 38 Na 0.53308091120597 0.40021822349258 0.15277909578177 22.990 > 37 39 Na 0.03308091120597 0.90021822349258 0.15277909578177 22.990 > 37 40 Na 0.53308091120597 0.90021822349258 0.15277909578177 22.990 > 37 41 Na 0.28581928511548 0.38645901661234 0.13535515368040 22.990 > 41 42 Na 0.78581928511548 0.38645901661234 0.13535515368040 22.990 > 41 43 Na 0.28581928511548 0.88645901661234 0.13535515368040 22.990 > 41 44 Na 0.78581928511548 0.88645901661234 0.13535515368040 22.990 > 41 45 Na 0.16762132094127 0.11549449881871 0.12015858044054 22.990 > 45 46 Na 0.66762132094127 0.11549449881871 0.12015858044054 22.990 > 45 47 Na 0.16762132094127 0.61549449881871 0.12015858044054 22.990 > 45 48 Na 0.66762132094127 0.61549449881871 0.12015858044054 22.990 > 45 49 Ti 0.10590315660908 0.34819923815345 0.89476325703568 47.867 > 49 50 Ti 0.60590315660908 0.34819923815345 0.89476325703568 47.867 > 49 51 Ti 0.10590315660908 0.84819923815345 0.89476325703568 47.867 > 49 52 Ti 0.60590315660908 0.84819923815345 0.89476325703568 47.867 > 49 53 Ti 0.39409684339092 0.34819923815345 0.60523674296432 47.867 > 53 54 Ti 0.89409684339092 0.34819923815345 0.60523674296432 47.867 > 53 55 Ti 0.39409684339092 0.84819923815345 0.60523674296432 47.867 > 53 56 Ti 0.89409684339092 0.84819923815345 0.60523674296432 47.867 > 53 57 Ti 0.10590315660908 0.15180076184655 0.39476325703568 47.867 > 57 58 Ti 0.60590315660908 0.15180076184655 0.39476325703568 47.867 > 57 59 Ti 0.10590315660908 0.65180076184655 0.39476325703568 47.867 > 57 60 Ti 0.60590315660908 0.65180076184655 0.39476325703568 47.867 > 57 61 Ti 0.39409684339092 0.15180076184655 0.10523674296432 47.867 > 61 62 Ti 0.89409684339092 0.15180076184655 0.10523674296432 47.867 > 61 63 Ti 0.39409684339092 0.65180076184655 0.10523674296432 47.867 > 61 64 Ti 0.89409684339092 0.65180076184655 0.10523674296432 47.867 > 61 65 O 0.36304839860023 0.10588129797449 0.91673589470264 15.999 > 65 66 O 0.86304839860023 0.10588129797449 0.91673589470264 15.999 > 65 67 O 0.36304839860023 0.60588129797449 0.91673589470264 15.999 > 65 68 O 0.86304839860023 0.60588129797449 0.91673589470264 15.999 > 65 69 O 0.19414250209259 0.38520009905918 0.85900371713381 15.999 > 69 70 O 0.69414250209259 0.38520009905918 0.85900371713381 15.999 > 69 71 O 0.19414250209259 0.88520009905918 0.85900371713381 15.999 > 69 72 O 0.69414250209259 0.88520009905918 0.85900371713381 15.999 > 69 73 O 0.09525795578203 0.17805316194486 0.88677439452524 15.999 > 73 74 O 0.59525795578203 0.17805316194486 0.88677439452524 15.999 > 73 75 O 0.09525795578203 0.67805316194486 0.88677439452524 15.999 > 73 76 O 0.59525795578203 0.67805316194486 0.88677439452524 15.999 > 73 77 O 0.30585749790741 0.38520009905918 0.64099628286619 15.999 > 77 78 O 0.80585749790741 0.38520009905918 0.64099628286619 15.999 > 77 79 O 0.30585749790741 0.88520009905918 0.64099628286619 15.999 > 77 80 O 0.80585749790741 0.88520009905918 0.64099628286619 15.999 > 77 81 O 0.00000000000000 0.41581201921797 0.75000000000000 15.999 > 81 82 O 0.50000000000000 0.41581201921797 0.75000000000000 15.999 > 81 83 O 0.00000000000000 0.91581201921797 0.75000000000000 15.999 > 81 84 O 0.50000000000000 0.91581201921797 0.75000000000000 15.999 > 81 85 O 0.13695160139977 0.10588129797449 0.58326410529736 15.999 > 85 86 O 0.63695160139977 0.10588129797449 0.58326410529736 15.999 > 85 87 O 0.13695160139977 0.60588129797449 0.58326410529736 15.999 > 85 88 O 0.63695160139977 0.60588129797449 0.58326410529736 15.999 > 85 89 O 0.40474204421797 0.17805316194486 0.61322560547476 15.999 > 89 90 O 0.90474204421797 0.17805316194486 0.61322560547476 15.999 > 89 91 O 0.40474204421797 0.67805316194486 0.61322560547476 15.999 > 89 92 O 0.90474204421797 0.67805316194486 0.61322560547476 15.999 > 89 93 O 0.09525795578203 0.32194683805514 0.38677439452524 15.999 > 93 94 O 0.59525795578203 0.32194683805514 0.38677439452524 15.999 > 93 95 O 0.09525795578203 0.82194683805514 0.38677439452524 15.999 > 93 96 O 0.59525795578203 0.82194683805514 0.38677439452524 15.999 > 93 97 O 0.36304839860023 0.39411870202551 0.41673589470264 15.999 > 97 98 O 0.86304839860023 0.39411870202551 0.41673589470264 15.999 > 97 99 O 0.36304839860023 0.89411870202551 0.41673589470264 15.999 > 97 100 O 0.86304839860023 0.89411870202551 0.41673589470264 15.999 > 97 101 O 0.00000000000000 0.08418798078203 0.25000000000000 15.999 > 101 102 O 0.50000000000000 0.08418798078203 0.25000000000000 15.999 > 101 103 O 0.00000000000000 0.58418798078203 0.25000000000000 15.999 > 101 104 O 0.50000000000000 0.58418798078203 0.25000000000000 15.999 > 101 105 O 0.19414250209259 0.11479990094082 0.35900371713381 15.999 > 105 106 O 0.69414250209259 0.11479990094082 0.35900371713381 15.999 > 105 107 O 0.19414250209259 0.61479990094082 0.35900371713381 15.999 > 105 108 O 0.69414250209259 0.61479990094082 0.35900371713381 15.999 > 105 109 O 0.40474204421797 0.32194683805514 0.11322560547476 15.999 > 109 110 O 0.90474204421797 0.32194683805514 0.11322560547476 15.999 > 109 111 O 0.40474204421797 0.82194683805514 0.11322560547476 15.999 > 109 112 O 0.90474204421797 0.82194683805514 0.11322560547476 15.999 > 109 113 O 0.30585749790741 0.11479990094082 0.14099628286619 15.999 > 113 114 O 0.80585749790741 0.11479990094082 0.14099628286619 15.999 > 113 115 O 0.30585749790741 0.61479990094082 0.14099628286619 15.999 > 113 116 O 0.80585749790741 0.61479990094082 0.14099628286619 15.999 > 113 117 O 0.13695160139977 0.39411870202551 0.08326410529736 15.999 > 117 118 O 0.63695160139977 0.39411870202551 0.08326410529736 15.999 > 117 119 O 0.13695160139977 0.89411870202551 0.08326410529736 15.999 > 117 120 O 0.63695160139977 0.89411870202551 0.08326410529736 15.999 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9419500 0.0000000 0.0639251 0.0000000 2.9074027 0.0000000 0.0639267 0.0000000 2.9365466 -------------------------- Born effective charges -------------------------- 1 Na 1.0878007 -0.0074794 -0.1385316 0.0161369 1.0830917 -0.0805731 -0.0130157 0.0210263 1.0470542 2 Na 1.0276247 0.0155741 0.1267954 -0.0968581 1.0630941 0.0035793 0.1817172 0.0171582 1.1490101 3 Na 1.0225714 -0.0115919 -0.0372586 0.0585971 1.1167831 -0.0748319 -0.1614111 0.0002570 0.9690440 4 Na 1.0276247 -0.0155741 0.1267954 0.0968581 1.0630941 -0.0035793 0.1817172 -0.0171582 1.1490101 5 Na 1.0878007 0.0074794 -0.1385316 -0.0161369 1.0830917 0.0805731 -0.0130157 -0.0210263 1.0470542 6 Na 1.0225714 0.0115919 -0.0372586 -0.0585971 1.1167831 0.0748319 -0.1614111 -0.0002570 0.9690440 7 Na 1.0225714 0.0115919 -0.0372586 -0.0585971 1.1167831 0.0748319 -0.1614111 -0.0002570 0.9690440 8 Na 1.0878007 0.0074794 -0.1385316 -0.0161369 1.0830917 0.0805731 -0.0130157 -0.0210263 1.0470542 9 Na 1.0276247 -0.0155741 0.1267954 0.0968581 1.0630941 -0.0035793 0.1817172 -0.0171582 1.1490101 10 Na 1.0225714 -0.0115919 -0.0372586 0.0585971 1.1167831 -0.0748319 -0.1614111 0.0002570 0.9690440 11 Na 1.0276247 0.0155741 0.1267954 -0.0968581 1.0630941 0.0035793 0.1817172 0.0171582 1.1490101 12 Na 1.0878007 -0.0074794 -0.1385316 0.0161369 1.0830917 -0.0805731 -0.0130157 0.0210263 1.0470542 13 Ti 3.0138654 0.0307182 0.3180069 0.2104234 2.8331616 0.2149191 0.2819784 0.0282100 3.0530543 14 Ti 3.0138654 -0.0307182 0.3180069 -0.2104234 2.8331616 -0.2149191 0.2819784 -0.0282100 3.0530543 15 Ti 3.0138654 -0.0307182 0.3180069 -0.2104234 2.8331616 -0.2149191 0.2819784 -0.0282100 3.0530543 16 Ti 3.0138654 0.0307182 0.3180069 0.2104234 2.8331616 0.2149191 0.2819784 0.0282100 3.0530543 17 O -1.2043926 0.1207286 0.3698366 0.1089100 -1.3462325 -0.4697470 0.3138994 -0.4492557 -2.7551703 18 O -2.8017827 -0.3765072 0.2922957 -0.3961251 -1.2957948 0.1469319 0.1987126 0.1238271 -1.2269528 19 O -1.0646352 -0.1931135 -0.1239532 -0.1262798 -2.7618908 -0.0466190 -0.0596854 -0.1437711 -1.0343223 20 O -2.8017827 0.3765072 0.2922957 0.3961251 -1.2957948 -0.1469319 0.1987126 -0.1238271 -1.2269528 21 O -2.1621032 0.0000000 -1.6143825 0.0000000 -1.3844251 0.0000000 -1.4843907 0.0000000 -2.4034344 22 O -1.2043926 -0.1207286 0.3698366 -0.1089100 -1.3462325 0.4697470 0.3138994 0.4492557 -2.7551703 23 O -1.0646352 0.1931135 -0.1239532 0.1262798 -2.7618908 0.0466190 -0.0596854 0.1437711 -1.0343223 24 O -1.0646352 0.1931135 -0.1239532 0.1262798 -2.7618908 0.0466190 -0.0596854 0.1437711 -1.0343223 25 O -1.2043926 -0.1207286 0.3698366 -0.1089100 -1.3462325 0.4697470 0.3138994 0.4492557 -2.7551703 26 O -2.1621032 0.0000000 -1.6143825 0.0000000 -1.3844251 0.0000000 -1.4843907 0.0000000 -2.4034344 27 O -2.8017827 0.3765072 0.2922957 0.3961251 -1.2957948 -0.1469319 0.1987126 -0.1238271 -1.2269528 28 O -1.0646352 -0.1931135 -0.1239532 -0.1262798 -2.7618908 -0.0466190 -0.0596854 -0.1437711 -1.0343223 29 O -2.8017827 -0.3765072 0.2922957 -0.3961251 -1.2957948 0.1469319 0.1987126 0.1238271 -1.2269528 30 O -1.2043926 0.1207286 0.3698366 0.1089100 -1.3462325 -0.4697470 0.3138994 -0.4492557 -2.7551703 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 10 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.55, Number of G-points: 301, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/96) ======================= 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 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 1.743 ( 0.000 0.000 0.000) 0.000 2.849 ( 0.000 0.000 0.000) 0.000 3.122 ( 0.000 0.000 0.000) 0.000 3.250 ( 0.000 0.000 0.000) 0.000 3.380 ( 0.000 0.000 0.000) 0.000 3.433 ( 0.000 0.000 0.000) 0.000 3.513 ( 0.000 0.000 0.000) 0.000 3.698 ( 0.000 0.000 0.000) 0.000 3.782 ( 0.000 0.000 0.000) 0.000 3.928 ( 0.000 0.000 0.000) 0.000 3.945 ( 0.000 0.000 0.000) 0.000 4.208 ( 0.000 0.000 0.000) 0.000 4.249 ( 0.000 0.000 0.000) 0.000 4.456 ( 0.000 0.000 0.000) 0.000 4.459 ( 0.000 0.000 0.000) 0.000 4.604 ( 0.000 0.000 0.000) 0.000 4.667 ( 0.000 0.000 0.000) 0.000 4.678 ( 0.000 0.000 0.000) 0.000 4.735 ( 0.000 0.000 0.000) 0.000 4.936 ( 0.000 0.000 0.000) 0.000 5.046 ( 0.000 0.000 0.000) 0.000 5.111 ( 0.000 0.000 0.000) 0.000 5.141 ( 0.000 0.000 0.000) 0.000 5.179 ( 0.000 0.000 0.000) 0.000 5.346 ( 0.000 0.000 0.000) 0.000 5.446 ( 0.000 0.000 0.000) 0.000 5.516 ( 0.000 0.000 0.000) 0.000 5.653 ( 0.000 0.000 0.000) 0.000 5.674 ( 0.000 0.000 0.000) 0.000 5.744 ( 0.000 0.000 0.000) 0.000 5.755 ( 0.000 0.000 0.000) 0.000 5.919 ( 0.000 0.000 0.000) 0.000 6.001 ( 0.000 0.000 0.000) 0.000 6.111 ( 0.000 0.000 0.000) 0.000 6.273 ( 0.000 0.000 0.000) 0.000 6.518 ( 0.000 0.000 0.000) 0.000 6.571 ( 0.000 0.000 0.000) 0.000 6.755 ( 0.000 0.000 0.000) 0.000 6.836 ( 0.000 0.000 0.000) 0.000 6.840 ( 0.000 0.000 0.000) 0.000 7.234 ( 0.000 0.000 0.000) 0.000 7.366 ( 0.000 0.000 0.000) 0.000 7.510 ( 0.000 0.000 0.000) 0.000 7.635 ( 0.000 0.000 0.000) 0.000 7.668 ( 0.000 0.000 0.000) 0.000 7.827 ( 0.000 0.000 0.000) 0.000 7.989 ( 0.000 0.000 0.000) 0.000 8.087 ( 0.000 0.000 0.000) 0.000 8.277 ( 0.000 0.000 0.000) 0.000 8.401 ( 0.000 0.000 0.000) 0.000 8.514 ( 0.000 0.000 0.000) 0.000 8.933 ( 0.000 0.000 0.000) 0.000 9.027 ( 0.000 0.000 0.000) 0.000 9.053 ( 0.000 0.000 0.000) 0.000 9.401 ( 0.000 0.000 0.000) 0.000 9.465 ( 0.000 0.000 0.000) 0.000 9.493 ( 0.000 0.000 0.000) 0.000 9.698 ( 0.000 0.000 0.000) 0.000 9.768 ( 0.000 0.000 0.000) 0.000 10.687 ( 0.000 0.000 0.000) 0.000 10.813 ( 0.000 0.000 0.000) 0.000 10.829 ( 0.000 0.000 0.000) 0.000 11.094 ( 0.000 0.000 0.000) 0.000 11.102 ( 0.000 0.000 0.000) 0.000 11.428 ( 0.000 0.000 0.000) 0.000 11.468 ( 0.000 0.000 0.000) 0.000 11.567 ( 0.000 0.000 0.000) 0.000 11.691 ( 0.000 0.000 0.000) 0.000 11.816 ( 0.000 0.000 0.000) 0.000 12.017 ( 0.000 0.000 0.000) 0.000 12.115 ( 0.000 0.000 0.000) 0.000 14.682 ( 0.000 0.000 0.000) 0.000 14.935 ( 0.000 0.000 0.000) 0.000 19.839 ( 0.000 0.000 0.000) 0.000 19.935 ( 0.000 0.000 0.000) 0.000 20.451 ( 0.000 0.000 0.000) 0.000 20.616 ( 0.000 0.000 0.000) 0.000 21.127 ( 0.000 0.000 0.000) 0.000 21.410 ( 0.000 0.000 0.000) 0.000 21.899 ( 0.000 0.000 0.000) 0.000 21.900 ( 0.000 0.000 0.000) 0.000 22.022 ( 0.000 0.000 0.000) 0.000 22.723 ( 0.000 0.000 0.000) 0.000 22.785 ( 0.000 0.000 0.000) 0.000 22.883 ( 0.000 0.000 0.000) 0.000 23.310 ( 0.000 0.000 0.000) 0.000 23.467 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/96) ======================= q-point: ( 0.17 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 27.158 0.000 19.868) 33.649 0.707 ( 38.434 0.000 -2.347) 38.506 1.442 ( 57.560 0.000 34.624) 67.172 1.944 ( 13.048 0.000 11.082) 17.119 2.710 ( -7.673 0.000 -6.999) 10.386 3.049 ( -7.699 0.000 -6.104) 9.825 3.125 ( -11.125 0.000 -8.792) 14.180 3.182 ( -14.715 0.000 3.796) 15.197 3.485 ( -25.531 0.000 -20.957) 33.031 3.520 ( 7.688 0.000 1.496) 7.832 3.665 ( 7.098 0.000 -0.525) 7.118 3.776 ( 1.935 0.000 10.411) 10.589 3.856 ( -0.082 0.000 12.338) 12.338 4.024 ( 1.517 0.000 7.521) 7.673 4.111 ( 2.663 0.000 1.070) 2.870 4.229 ( -3.428 0.000 0.516) 3.466 4.457 ( 1.758 0.000 -3.354) 3.787 4.592 ( 3.083 0.000 4.015) 5.062 4.628 ( 2.670 0.000 -11.329) 11.640 4.680 ( -8.497 0.000 1.460) 8.622 4.725 ( -0.469 0.000 -0.958) 1.067 4.767 ( 7.389 0.000 2.595) 7.831 5.064 ( -1.128 0.000 -1.146) 1.608 5.070 ( -2.885 0.000 9.325) 9.761 5.091 ( 4.600 0.000 -0.089) 4.601 5.181 ( -1.751 0.000 5.535) 5.805 5.250 ( 4.616 0.000 0.417) 4.635 5.349 ( 1.586 0.000 -2.383) 2.863 5.412 ( -3.534 0.000 0.320) 3.548 5.493 ( -4.606 0.000 2.634) 5.306 5.608 ( 0.486 0.000 0.214) 0.531 5.706 ( 0.040 0.000 -3.714) 3.714 5.742 ( -3.719 0.000 -0.513) 3.754 5.823 ( -7.700 0.000 -3.039) 8.278 5.860 ( -2.710 0.000 -2.183) 3.480 5.926 ( -5.563 0.000 -1.661) 5.806 6.024 ( 0.781 0.000 -2.063) 2.206 6.419 ( -2.892 0.000 6.234) 6.872 6.653 ( -14.273 0.000 -3.743) 14.756 6.659 ( 10.410 0.000 -11.573) 15.566 6.764 ( 6.056 0.000 5.612) 8.256 6.810 ( 1.158 0.000 15.926) 15.968 6.824 ( -4.909 0.000 2.170) 5.368 7.181 ( 0.041 0.000 6.225) 6.225 7.314 ( 3.530 0.000 -6.118) 7.064 7.417 ( -7.928 0.000 -4.261) 9.001 7.608 ( 0.501 0.000 -3.798) 3.831 7.885 ( 1.532 0.000 1.949) 2.479 7.925 ( -3.050 0.000 -5.070) 5.917 8.068 ( -0.999 0.000 2.971) 3.135 8.196 ( 2.953 0.000 4.830) 5.661 8.343 ( 8.807 0.000 1.163) 8.884 8.466 ( 4.686 0.000 1.101) 4.814 8.802 ( 14.321 0.000 -13.004) 19.344 8.881 ( -2.192 0.000 -4.629) 5.122 8.932 ( -7.705 0.000 -2.714) 8.170 9.136 ( 5.281 0.000 4.153) 6.719 9.348 ( -6.875 0.000 -3.223) 7.593 9.358 ( -3.874 0.000 -0.632) 3.925 9.466 ( 1.669 0.000 -6.636) 6.843 9.816 ( 0.155 0.000 4.939) 4.942 9.883 ( 2.892 0.000 6.706) 7.303 10.692 ( -0.123 0.000 1.085) 1.092 10.811 ( -1.362 0.000 2.482) 2.831 10.900 ( 4.279 0.000 -2.158) 4.792 11.089 ( -0.733 0.000 -0.711) 1.021 11.172 ( 4.339 0.000 -9.404) 10.357 11.353 ( -5.519 0.000 -0.047) 5.519 11.450 ( -2.205 0.000 0.608) 2.287 11.744 ( 2.658 0.000 0.196) 2.665 11.856 ( 1.872 0.000 4.050) 4.462 12.014 ( 1.753 0.000 -2.687) 3.208 12.089 ( -6.666 0.000 10.580) 12.505 12.120 ( -3.325 0.000 6.699) 7.479 14.740 ( 4.865 0.000 1.875) 5.213 14.917 ( -1.275 0.000 -0.949) 1.589 19.809 ( -8.883 0.000 -7.305) 11.501 20.458 ( -2.446 0.000 7.179) 7.585 20.610 ( 0.366 0.000 -1.988) 2.022 21.100 ( -15.064 0.000 19.735) 24.827 21.145 ( 1.284 0.000 1.739) 2.161 21.803 ( -8.222 0.000 0.128) 8.223 21.974 ( 4.410 0.000 4.663) 6.418 22.036 ( 1.290 0.000 -2.290) 2.628 22.617 ( -4.097 0.000 -3.809) 5.594 22.737 ( -3.843 0.000 7.198) 8.160 23.025 ( 5.966 0.000 5.808) 8.326 23.317 ( 0.596 0.000 0.318) 0.676 23.499 ( 2.801 0.000 1.424) 3.142 23.651 ( 10.227 0.000 -25.242) 27.235 ======================= Grid point 2 (3/96) ======================= q-point: ( 0.33 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 35.697 0.000 -0.782) 35.706 1.402 ( 26.791 0.000 19.836) 33.335 2.278 ( 4.543 0.000 8.261) 9.427 2.487 ( -11.507 0.000 -2.423) 11.759 2.693 ( -8.837 0.000 2.617) 9.216 2.734 ( -13.904 0.000 -10.877) 17.653 2.826 ( 38.649 0.000 23.454) 45.209 2.833 ( -18.779 0.000 -17.705) 25.809 3.021 ( -0.861 0.000 0.299) 0.911 3.712 ( 10.395 0.000 -0.807) 10.426 3.763 ( 3.883 0.000 0.623) 3.933 3.906 ( -0.765 0.000 -1.111) 1.348 3.915 ( -0.773 0.000 8.777) 8.811 4.105 ( -5.752 0.000 12.976) 14.193 4.130 ( -1.476 0.000 3.070) 3.407 4.292 ( 4.242 0.000 1.339) 4.448 4.460 ( 0.954 0.000 0.090) 0.958 4.509 ( -2.249 0.000 -2.309) 3.223 4.604 ( 2.643 0.000 -9.062) 9.439 4.669 ( 4.659 0.000 -1.102) 4.787 4.744 ( 1.780 0.000 -0.707) 1.915 4.865 ( -3.652 0.000 1.832) 4.085 5.028 ( -1.953 0.000 -4.918) 5.291 5.094 ( 2.695 0.000 6.542) 7.076 5.104 ( -17.618 0.000 -3.042) 17.878 5.175 ( 0.016 0.000 2.479) 2.479 5.219 ( 3.439 0.000 -3.671) 5.030 5.281 ( -6.648 0.000 -8.890) 11.101 5.378 ( 4.331 0.000 -2.652) 5.078 5.397 ( -0.950 0.000 6.661) 6.728 5.600 ( -2.933 0.000 -0.616) 2.997 5.655 ( -4.186 0.000 1.335) 4.394 5.723 ( -9.477 0.000 3.822) 10.219 5.736 ( 1.448 0.000 -1.150) 1.849 5.790 ( -2.821 0.000 -3.425) 4.437 5.808 ( 4.146 0.000 -0.843) 4.231 6.051 ( -17.338 0.000 -2.582) 17.530 6.145 ( 6.025 0.000 3.837) 7.143 6.578 ( 0.486 0.000 -1.138) 1.238 6.589 ( -14.122 0.000 -11.396) 18.147 6.695 ( 6.695 0.000 -10.188) 12.191 6.970 ( -0.265 0.000 6.057) 6.062 6.998 ( 7.502 0.000 3.663) 8.349 7.310 ( -5.321 0.000 14.868) 15.792 7.329 ( 5.604 0.000 9.044) 10.640 7.420 ( 10.522 0.000 0.831) 10.555 7.571 ( 0.075 0.000 -7.391) 7.392 7.768 ( -5.246 0.000 -9.087) 10.493 7.953 ( 5.797 0.000 0.003) 5.797 8.116 ( 0.921 0.000 4.096) 4.198 8.218 ( -2.728 0.000 1.703) 3.216 8.467 ( 1.040 0.000 -0.178) 1.055 8.551 ( 2.517 0.000 1.038) 2.723 8.735 ( -4.918 0.000 -7.083) 8.623 8.802 ( -0.045 0.000 -5.912) 5.912 8.970 ( 11.196 0.000 -6.137) 12.768 9.193 ( -9.759 0.000 7.808) 12.498 9.262 ( -4.408 0.000 -1.493) 4.654 9.353 ( 12.821 0.000 -0.855) 12.850 9.451 ( 2.202 0.000 -3.820) 4.409 9.810 ( -4.120 0.000 1.785) 4.490 9.949 ( -2.184 0.000 4.629) 5.118 10.695 ( -0.700 0.000 1.025) 1.241 10.803 ( -1.551 0.000 1.535) 2.183 10.977 ( 5.107 0.000 -1.166) 5.238 11.074 ( -0.108 0.000 -0.495) 0.506 11.168 ( 2.189 0.000 -3.885) 4.459 11.273 ( -3.036 0.000 0.996) 3.195 11.402 ( -3.377 0.000 0.974) 3.515 11.776 ( 1.041 0.000 0.205) 1.061 11.892 ( -0.827 0.000 0.738) 1.109 12.066 ( -2.283 0.000 2.328) 3.260 12.067 ( 4.411 0.000 -0.022) 4.411 12.119 ( -1.524 0.000 2.667) 3.071 14.872 ( 5.715 0.000 2.392) 6.196 14.880 ( -1.298 0.000 -0.968) 1.619 19.527 ( -10.192 0.000 -8.268) 13.124 20.487 ( -1.374 0.000 5.772) 5.933 20.594 ( 0.669 0.000 -3.021) 3.095 21.009 ( -6.369 0.000 4.589) 7.850 21.211 ( 2.979 0.000 2.826) 4.106 21.644 ( -7.227 0.000 -1.140) 7.317 22.020 ( -0.432 0.000 -1.712) 1.766 22.106 ( 3.999 0.000 3.992) 5.650 22.538 ( -1.609 0.000 -1.851) 2.453 22.733 ( -1.433 0.000 2.137) 2.573 23.142 ( 1.879 0.000 2.785) 3.360 23.340 ( 1.252 0.000 0.720) 1.444 23.586 ( 0.722 0.000 -8.572) 8.602 23.591 ( 3.989 0.000 2.468) 4.691 ======================= Grid point 3 (4/96) ======================= q-point: (-0.50 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( 0.000 0.000 0.000) 0.000 2.059 ( -0.000 0.000 -0.000) 0.000 2.061 ( 0.000 0.000 0.000) 0.000 2.098 ( -0.000 0.000 0.000) 0.000 2.365 ( -0.000 0.000 -0.000) 0.000 2.565 ( 0.000 0.000 0.000) 0.000 2.752 ( 0.000 0.000 0.000) 0.000 2.913 ( 0.000 0.000 0.000) 0.000 3.773 ( -0.000 0.000 0.000) 0.000 3.797 ( 0.000 0.000 0.000) 0.000 3.831 ( 0.000 0.000 -0.000) 0.000 3.900 ( 0.000 0.000 0.000) 0.000 3.923 ( 0.000 0.000 0.000) 0.000 4.200 ( 0.000 0.000 0.000) 0.000 4.223 ( 0.000 0.000 -0.000) 0.000 4.266 ( -0.000 0.000 -0.000) 0.000 4.345 ( 0.000 0.000 0.000) 0.000 4.355 ( -0.000 0.000 -0.000) 0.000 4.481 ( 0.000 0.000 0.000) 0.000 4.694 ( 0.000 0.000 0.000) 0.000 4.748 ( 0.000 0.000 0.000) 0.000 4.766 ( 0.000 0.000 0.000) 0.000 4.825 ( 0.000 0.000 0.000) 0.000 5.037 ( 0.000 0.000 0.000) 0.000 5.166 ( 0.000 0.000 -0.000) 0.000 5.181 ( 0.000 0.000 0.000) 0.000 5.188 ( 0.000 0.000 0.000) 0.000 5.356 ( -6.532 0.000 -3.483) 7.402 5.356 ( 6.531 0.000 3.483) 7.402 5.487 ( 0.000 0.000 0.000) 0.000 5.556 ( -0.000 0.000 0.000) 0.000 5.615 ( 0.000 0.000 0.000) 0.000 5.628 ( 0.000 0.000 0.000) 0.000 5.718 ( 0.000 0.000 0.000) 0.000 5.732 ( 0.000 0.000 0.000) 0.000 5.910 ( 0.000 0.000 0.000) 0.000 5.924 ( 0.000 0.000 0.000) 0.000 6.170 ( -0.000 0.000 -0.000) 0.000 6.316 ( 0.000 0.000 0.000) 0.000 6.574 ( 0.000 0.000 0.000) 0.000 6.733 ( 0.000 0.000 0.000) 0.000 6.962 ( 0.000 0.000 0.000) 0.000 7.071 ( 0.000 0.000 0.000) 0.000 7.396 ( 0.000 0.000 0.000) 0.000 7.498 ( 0.000 0.000 -0.000) 0.000 7.519 ( 0.000 0.000 0.000) 0.000 7.529 ( 0.000 0.000 -0.000) 0.000 7.644 ( 0.000 0.000 0.000) 0.000 8.033 ( 0.000 0.000 0.000) 0.000 8.148 ( 0.000 0.000 0.000) 0.000 8.169 ( 0.000 0.000 0.000) 0.000 8.431 ( 0.000 0.000 0.000) 0.000 8.574 ( 0.000 0.000 -0.000) 0.000 8.675 ( 0.000 0.000 0.000) 0.000 8.776 ( 0.000 0.000 0.000) 0.000 9.065 ( 0.000 0.000 0.000) 0.000 9.117 ( 0.000 0.000 -0.000) 0.000 9.205 ( 0.000 0.000 0.000) 0.000 9.459 ( 0.000 0.000 0.000) 0.000 9.508 ( 0.000 0.000 0.000) 0.000 9.760 ( 0.000 0.000 0.000) 0.000 9.929 ( 0.000 0.000 0.000) 0.000 10.692 ( 0.000 0.000 0.000) 0.000 10.793 ( 0.000 0.000 0.000) 0.000 11.030 ( 0.000 0.000 0.000) 0.000 11.072 ( 0.000 0.000 0.000) 0.000 11.172 ( 0.000 0.000 0.000) 0.000 11.253 ( 0.000 0.000 0.000) 0.000 11.367 ( 0.000 0.000 0.000) 0.000 11.788 ( 0.000 0.000 0.000) 0.000 11.882 ( 0.000 0.000 0.000) 0.000 12.055 ( 0.000 0.000 0.000) 0.000 12.116 ( 0.000 0.000 0.000) 0.000 12.117 ( 0.000 0.000 0.000) 0.000 14.861 ( 0.000 0.000 0.000) 0.000 14.948 ( 0.000 0.000 0.000) 0.000 19.373 ( 0.000 0.000 0.000) 0.000 20.506 ( -0.000 0.000 0.000) 0.000 20.583 ( 0.000 0.000 -0.000) 0.000 20.969 ( 0.000 0.000 0.000) 0.000 21.269 ( 0.000 0.000 0.000) 0.000 21.555 ( 0.000 0.000 0.000) 0.000 22.005 ( 0.000 0.000 0.000) 0.000 22.168 ( 0.000 0.000 0.000) 0.000 22.514 ( 0.000 0.000 0.000) 0.000 22.728 ( 0.000 0.000 0.000) 0.000 23.169 ( 0.000 0.000 0.000) 0.000 23.362 ( 0.000 0.000 0.000) 0.000 23.542 ( 0.000 0.000 0.000) 0.000 23.649 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/96) ======================= q-point: ( 0.00 0.10 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( 0.000 29.451 0.000) 29.451 0.652 ( 0.000 33.883 0.000) 33.883 0.679 ( 0.000 37.122 0.000) 37.122 1.794 ( 0.000 5.062 0.000) 5.062 2.776 ( 0.000 -8.139 0.000) 8.139 3.110 ( 0.000 -1.488 0.000) 1.488 3.184 ( 0.000 -5.822 0.000) 5.822 3.278 ( 0.000 -11.019 0.000) 11.019 3.315 ( 0.000 -10.259 0.000) 10.259 3.517 ( 0.000 -3.594 0.000) 3.594 3.539 ( 0.000 -7.382 0.000) 7.382 3.878 ( 0.000 -7.562 0.000) 7.562 3.900 ( 0.000 4.274 0.000) 4.274 3.937 ( 0.000 -0.957 0.000) 0.957 4.070 ( 0.000 -18.458 0.000) 18.458 4.202 ( 0.000 -2.171 0.000) 2.171 4.435 ( 0.000 -1.007 0.000) 1.007 4.502 ( 0.000 -0.766 0.000) 0.766 4.513 ( 0.000 -3.014 0.000) 3.014 4.571 ( 0.000 -4.183 0.000) 4.183 4.677 ( 0.000 -8.752 0.000) 8.752 4.818 ( 0.000 3.644 0.000) 3.644 4.885 ( 0.000 -10.614 0.000) 10.614 4.932 ( 0.000 0.549 0.000) 0.549 5.107 ( 0.000 -1.568 0.000) 1.568 5.159 ( 0.000 2.426 0.000) 2.426 5.272 ( 0.000 1.985 0.000) 1.985 5.311 ( 0.000 -3.478 0.000) 3.478 5.423 ( 0.000 -4.567 0.000) 4.567 5.539 ( 0.000 2.893 0.000) 2.893 5.665 ( 0.000 1.127 0.000) 1.127 5.742 ( 0.000 0.500 0.000) 0.500 5.821 ( 0.000 3.805 0.000) 3.805 5.927 ( 0.000 1.039 0.000) 1.039 6.028 ( 0.000 2.860 0.000) 2.860 6.101 ( 0.000 2.088 0.000) 2.088 6.287 ( 0.000 1.496 0.000) 1.496 6.522 ( 0.000 0.435 0.000) 0.435 6.592 ( 0.000 1.783 0.000) 1.783 6.796 ( 0.000 5.995 0.000) 5.995 6.848 ( 0.000 0.985 0.000) 0.985 6.889 ( 0.000 2.715 0.000) 2.715 7.195 ( 0.000 -3.987 0.000) 3.987 7.249 ( 0.000 -9.156 0.000) 9.156 7.451 ( 0.000 -2.899 0.000) 2.899 7.603 ( 0.000 -3.127 0.000) 3.127 7.606 ( 0.000 -7.126 0.000) 7.126 7.685 ( 0.000 1.620 0.000) 1.620 7.915 ( 0.000 -2.610 0.000) 2.610 7.996 ( 0.000 -3.680 0.000) 3.680 8.211 ( 0.000 -1.055 0.000) 1.055 8.334 ( 0.000 0.991 0.000) 0.991 8.353 ( 0.000 -3.161 0.000) 3.161 8.572 ( 0.000 3.137 0.000) 3.137 8.907 ( 0.000 -2.019 0.000) 2.019 8.991 ( 0.000 -6.779 0.000) 6.779 9.072 ( 0.000 3.574 0.000) 3.574 9.373 ( 0.000 -1.397 0.000) 1.397 9.444 ( 0.000 -0.838 0.000) 0.838 9.530 ( 0.000 2.811 0.000) 2.811 9.571 ( 0.000 -8.768 0.000) 8.768 9.828 ( 0.000 2.880 0.000) 2.880 10.736 ( 0.000 2.750 0.000) 2.750 10.827 ( 0.000 -0.072 0.000) 0.072 10.857 ( 0.000 4.145 0.000) 4.145 11.035 ( 0.000 -1.959 0.000) 1.959 11.184 ( 0.000 4.076 0.000) 4.076 11.445 ( 0.000 -3.418 0.000) 3.418 11.572 ( 0.000 0.570 0.000) 0.570 11.591 ( 0.000 0.467 0.000) 0.467 11.692 ( 0.000 -0.060 0.000) 0.060 11.846 ( 0.000 2.621 0.000) 2.621 12.065 ( 0.000 3.610 0.000) 3.610 12.157 ( 0.000 4.199 0.000) 4.199 14.877 ( 0.000 -4.703 0.000) 4.703 15.085 ( 0.000 1.410 0.000) 1.410 19.735 ( 0.000 -9.573 0.000) 9.573 19.852 ( 0.000 -8.014 0.000) 8.014 20.495 ( 0.000 4.119 0.000) 4.119 20.663 ( 0.000 4.823 0.000) 4.823 21.202 ( 0.000 6.759 0.000) 6.759 21.443 ( 0.000 2.761 0.000) 2.761 21.895 ( 0.000 -0.359 0.000) 0.359 21.910 ( 0.000 0.549 0.000) 0.549 22.787 ( 0.000 6.514 0.000) 6.514 22.835 ( 0.000 5.208 0.000) 5.208 22.866 ( 0.000 -1.067 0.000) 1.067 23.306 ( 0.000 -0.361 0.000) 0.361 23.457 ( 0.000 -0.411 0.000) 0.411 24.410 ( 0.000 0.513 0.000) 0.513 ======================= Grid point 8 (6/96) ======================= q-point: ( 0.17 0.10 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 25.100 7.019 11.824) 28.619 0.943 ( 29.217 21.303 -2.976) 36.281 1.661 ( 45.797 18.282 31.297) 58.405 1.993 ( 13.901 5.208 12.084) 19.142 2.662 ( -6.305 -4.035 -9.415) 12.028 2.962 ( -7.943 -5.980 -5.525) 11.375 3.042 ( -12.737 -6.476 -6.379) 15.649 3.207 ( -13.761 1.372 4.758) 14.624 3.383 ( 5.538 -11.643 3.458) 13.349 3.399 ( 1.076 -20.298 -3.605) 20.644 3.591 ( -22.759 8.042 -17.635) 29.894 3.668 ( 1.436 -7.839 8.479) 11.637 3.874 ( -1.745 -2.960 5.630) 6.595 3.951 ( -2.839 -11.232 2.146) 11.782 4.117 ( 8.030 0.124 2.925) 8.548 4.151 ( 2.848 -5.916 1.638) 6.767 4.352 ( 1.916 -8.634 -6.475) 10.961 4.500 ( 2.693 -3.640 -4.011) 6.049 4.532 ( -2.143 -7.373 -1.716) 7.867 4.606 ( 3.166 -6.902 -0.785) 7.634 4.722 ( 2.504 -2.451 0.335) 3.520 4.837 ( 1.289 -0.440 3.775) 4.013 4.912 ( 2.818 -10.226 0.269) 10.610 5.075 ( -5.403 -0.450 6.219) 8.251 5.113 ( -0.711 2.252 4.305) 4.910 5.194 ( 2.118 1.406 4.823) 5.452 5.300 ( -0.082 1.864 1.918) 2.676 5.339 ( 6.261 -0.533 -3.670) 7.277 5.372 ( -4.990 -1.796 0.786) 5.361 5.487 ( -7.749 3.097 2.679) 8.764 5.621 ( 1.302 0.053 0.216) 1.321 5.687 ( -6.109 -3.609 -0.960) 7.160 5.786 ( -1.855 2.591 -8.649) 9.217 5.806 ( -3.820 1.261 -0.615) 4.069 5.978 ( -3.295 3.851 -2.434) 5.622 6.080 ( 3.527 5.780 -2.486) 7.213 6.296 ( -17.480 15.297 -7.840) 24.516 6.507 ( 1.143 6.420 3.216) 7.271 6.629 ( -0.086 0.016 -3.979) 3.980 6.739 ( -10.776 2.387 -2.156) 11.246 6.814 ( -0.482 2.470 10.146) 10.453 6.830 ( 3.664 6.838 -2.327) 8.100 6.936 ( -5.326 8.945 -0.278) 10.414 7.166 ( -1.190 -1.324 7.043) 7.265 7.285 ( 1.837 -1.447 -7.210) 7.580 7.460 ( -9.437 3.032 -2.972) 10.348 7.585 ( 3.129 -1.462 -4.275) 5.496 7.817 ( 3.401 -6.075 0.034) 6.962 7.859 ( -5.791 -3.251 0.215) 6.645 8.092 ( -1.946 -0.279 -0.126) 1.970 8.228 ( 6.418 1.521 3.342) 7.394 8.294 ( 9.231 -5.394 0.032) 10.691 8.435 ( 5.267 -3.764 2.560) 6.962 8.691 ( 9.047 -7.044 -6.569) 13.215 8.868 ( -1.399 -1.233 -4.126) 4.528 8.965 ( -7.233 3.529 -3.244) 8.677 9.022 ( -0.141 -10.587 3.048) 11.018 9.328 ( -4.705 -1.058 -3.377) 5.888 9.368 ( 0.913 1.102 -2.156) 2.588 9.467 ( 1.050 -0.154 -5.419) 5.522 9.711 ( 1.460 -6.889 5.020) 8.648 9.930 ( 1.929 2.124 7.168) 7.721 10.695 ( -1.279 0.344 0.966) 1.640 10.834 ( -1.733 1.967 2.296) 3.485 10.922 ( 5.703 2.651 -1.650) 6.502 11.061 ( 0.411 -0.742 0.361) 0.922 11.219 ( 2.592 3.053 -8.029) 8.972 11.353 ( -4.059 -0.539 -0.138) 4.097 11.464 ( -2.223 1.320 0.959) 2.757 11.727 ( 3.317 -2.345 1.583) 4.360 11.812 ( -0.821 -1.857 4.513) 4.949 12.000 ( 2.547 -5.542 13.246) 14.583 12.056 ( 0.695 4.309 -2.616) 5.088 12.159 ( -0.106 3.590 1.501) 3.892 14.835 ( -5.595 5.854 -5.194) 9.621 14.885 ( 0.875 -2.679 0.422) 2.850 19.727 ( -7.391 -7.687 -6.041) 12.256 20.464 ( -7.347 -7.719 29.430) 31.299 20.586 ( 16.248 -16.308 -7.885) 24.333 20.700 ( 6.519 -8.192 6.556) 12.353 21.239 ( -0.286 5.810 2.993) 6.542 21.541 ( 9.812 -6.872 0.405) 11.986 21.819 ( -1.082 -5.175 2.063) 5.675 22.046 ( 7.361 4.708 1.577) 8.879 22.655 ( -4.182 3.773 -4.914) 7.475 22.820 ( -1.360 5.408 0.377) 5.589 23.036 ( 5.807 2.078 7.691) 9.858 23.316 ( 0.356 -0.078 1.179) 1.234 23.475 ( 2.047 -1.833 0.302) 2.764 24.040 ( -14.069 17.743 -17.546) 28.646 ======================= Grid point 9 (7/96) ======================= q-point: ( 0.33 0.10 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 27.176 -2.140 16.459) 31.843 1.520 ( 31.899 12.152 -0.293) 34.137 2.287 ( 6.278 0.826 7.887) 10.114 2.465 ( -6.814 -2.041 -4.243) 8.282 2.612 ( -13.869 -10.433 -9.277) 19.679 2.657 ( -12.977 -1.545 -4.380) 13.783 2.857 ( -5.741 4.294 2.598) 7.625 2.970 ( 15.930 9.673 9.441) 20.892 3.086 ( 1.777 7.422 3.240) 8.291 3.446 ( 4.767 -25.104 -0.500) 25.557 3.612 ( 10.926 -11.868 1.365) 16.189 3.788 ( 0.916 -7.252 3.979) 8.322 3.860 ( -6.097 -17.378 5.595) 19.248 3.905 ( -4.600 -8.272 4.622) 10.533 4.107 ( -0.973 -4.292 0.864) 4.485 4.314 ( 4.721 3.385 -1.171) 5.926 4.407 ( 0.330 -8.140 -5.403) 9.775 4.458 ( 6.370 -3.475 0.886) 7.310 4.606 ( 6.505 -4.562 -2.222) 8.250 4.651 ( 2.328 -10.297 0.488) 10.568 4.741 ( -3.008 4.882 -0.206) 5.738 4.934 ( -1.889 -7.922 -1.205) 8.233 4.945 ( -4.712 3.150 4.892) 7.488 5.003 ( -2.839 -4.935 5.369) 7.826 5.098 ( 4.647 -0.057 0.765) 4.710 5.168 ( -12.165 1.415 -8.829) 15.098 5.188 ( -3.198 -0.779 -3.596) 4.874 5.332 ( -4.965 1.352 -4.330) 6.725 5.365 ( 2.215 -0.386 -1.592) 2.755 5.378 ( 2.757 0.736 6.943) 7.507 5.581 ( -4.719 -3.251 0.725) 5.776 5.653 ( -6.511 3.272 0.668) 7.317 5.690 ( 1.095 -3.353 1.196) 3.724 5.781 ( -4.498 4.562 4.120) 7.617 5.855 ( -1.833 3.145 -4.557) 5.833 6.013 ( -1.746 12.587 -5.004) 13.657 6.145 ( -20.283 10.581 -4.284) 23.275 6.223 ( 4.888 6.796 2.769) 8.817 6.569 ( -0.882 -0.103 -9.085) 9.128 6.652 ( -9.464 3.728 -8.759) 13.423 6.726 ( 4.680 3.464 -4.275) 7.223 6.973 ( 1.911 0.978 4.630) 5.104 7.020 ( 5.257 1.725 2.138) 5.931 7.296 ( 3.702 -1.533 10.496) 11.235 7.355 ( -1.101 0.846 13.891) 13.960 7.403 ( 7.952 -0.273 -1.074) 8.029 7.585 ( 1.805 1.841 -6.548) 7.037 7.746 ( -3.106 -1.799 -6.674) 7.578 7.898 ( 6.430 -6.272 -2.113) 9.227 8.016 ( -4.350 -4.959 2.438) 7.033 8.284 ( -1.232 2.359 1.278) 2.952 8.432 ( 1.665 -2.263 2.371) 3.677 8.564 ( 3.582 -1.834 -0.156) 4.028 8.719 ( -3.088 -2.274 -10.057) 10.763 8.829 ( 1.126 1.966 -5.388) 5.845 8.866 ( 7.052 -7.949 -0.998) 10.673 9.032 ( -5.167 -13.983 6.634) 16.317 9.257 ( -0.349 0.383 1.344) 1.441 9.380 ( 3.590 1.733 -3.790) 5.501 9.460 ( 2.731 0.564 -3.260) 4.290 9.733 ( -2.920 -5.782 3.000) 7.138 9.979 ( -2.556 1.849 4.188) 5.243 10.689 ( -0.520 -0.513 0.577) 0.931 10.830 ( -0.939 1.727 2.477) 3.162 10.975 ( 0.258 0.849 -2.046) 2.230 11.095 ( 3.651 2.118 1.283) 4.412 11.168 ( 0.130 0.629 -3.923) 3.975 11.325 ( -0.065 3.535 0.339) 3.552 11.413 ( -4.158 0.776 0.958) 4.337 11.776 ( 1.038 -0.166 0.212) 1.072 11.847 ( 0.772 -4.675 1.974) 5.133 12.041 ( 0.106 2.007 -0.281) 2.030 12.073 ( -0.079 0.458 1.210) 1.296 12.181 ( -0.248 3.113 2.604) 4.066 14.760 ( -0.961 -5.575 -1.940) 5.981 14.950 ( 3.882 1.842 1.928) 4.709 19.489 ( -8.748 -3.703 -7.127) 11.876 20.512 ( -2.712 2.163 8.355) 9.047 20.621 ( 1.426 1.100 -4.040) 4.423 20.842 ( -0.249 -15.498 4.775) 16.219 21.242 ( 0.403 2.839 -0.142) 2.871 21.572 ( -3.826 -5.045 0.272) 6.338 21.951 ( 6.050 -3.736 3.679) 8.006 22.183 ( 4.433 6.228 2.739) 8.121 22.564 ( -1.740 2.846 -2.677) 4.277 22.798 ( -1.117 5.246 0.088) 5.365 23.171 ( 2.301 3.739 4.070) 5.987 23.335 ( 0.355 -0.078 0.904) 0.974 23.540 ( 3.311 -4.852 1.497) 6.062 23.732 ( -5.641 12.149 -9.173) 16.235 ======================= Grid point 10 (8/96) ======================= q-point: (-0.50 0.10 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 0.000 -4.674 0.000) 4.674 2.007 ( -0.000 -3.395 -0.000) 3.395 2.054 ( -0.000 4.697 -0.000) 4.697 2.157 ( -0.000 5.896 0.000) 5.896 2.400 ( 0.000 4.118 0.000) 4.118 2.511 ( -0.000 -2.989 0.000) 2.989 2.721 ( -0.000 -2.656 -0.000) 2.656 2.957 ( -0.000 4.471 -0.000) 4.471 3.464 ( 0.000 -27.734 -0.000) 27.734 3.717 ( -0.000 -12.281 0.000) 12.281 3.728 ( 0.000 -11.751 0.000) 11.751 3.807 ( 0.000 -7.443 0.000) 7.443 3.833 ( 0.000 -7.725 0.000) 7.725 4.029 ( 0.000 -3.644 0.000) 3.644 4.170 ( 0.000 -12.374 -0.000) 12.374 4.326 ( -0.000 4.407 -0.000) 4.407 4.335 ( 0.000 2.686 -0.000) 2.686 4.470 ( -0.000 2.494 -0.000) 2.494 4.587 ( 0.000 -8.669 -0.000) 8.669 4.635 ( 0.000 -4.620 0.000) 4.620 4.649 ( -0.000 15.559 -0.000) 15.559 4.696 ( -0.000 -6.739 0.000) 6.739 4.937 ( -0.000 -1.400 0.000) 1.400 5.011 ( 0.000 -14.232 0.000) 14.232 5.039 ( -0.000 -1.555 -0.000) 1.555 5.122 ( 0.000 1.145 0.000) 1.145 5.214 ( 0.000 2.217 -0.000) 2.217 5.344 ( -0.000 -1.128 0.000) 1.128 5.395 ( 0.000 2.672 0.000) 2.672 5.468 ( 0.000 -6.604 0.000) 6.604 5.486 ( -0.000 0.487 -0.000) 0.487 5.604 ( -0.000 6.456 -0.000) 6.456 5.680 ( 0.000 0.245 0.000) 0.245 5.789 ( 0.000 5.603 0.000) 5.603 5.792 ( -0.000 -0.316 -0.000) 0.316 5.937 ( 0.000 2.730 -0.000) 2.730 6.054 ( -0.000 13.244 -0.000) 13.244 6.211 ( 0.000 2.733 0.000) 2.733 6.346 ( 0.000 2.899 0.000) 2.899 6.654 ( -0.000 6.860 0.000) 6.860 6.735 ( -0.000 0.392 0.000) 0.392 6.989 ( 0.000 3.039 -0.000) 3.039 7.067 ( 0.000 -1.060 -0.000) 1.060 7.397 ( 0.000 0.539 0.000) 0.539 7.496 ( -0.000 -1.968 0.000) 1.968 7.526 ( 0.000 -0.616 0.000) 0.616 7.557 ( 0.000 4.362 -0.000) 4.362 7.624 ( -0.000 -0.481 -0.000) 0.481 7.977 ( -0.000 -10.161 0.000) 10.161 7.981 ( 0.000 -4.780 -0.000) 4.780 8.257 ( 0.000 2.491 0.000) 2.491 8.444 ( 0.000 1.217 0.000) 1.217 8.542 ( 0.000 -4.625 0.000) 4.625 8.675 ( -0.000 -1.197 -0.000) 1.197 8.811 ( 0.000 3.207 -0.000) 3.207 8.967 ( 0.000 -8.127 -0.000) 8.127 8.967 ( -0.000 -11.606 0.000) 11.606 9.282 ( -0.000 3.049 -0.000) 3.049 9.407 ( -0.000 -5.204 0.000) 5.204 9.486 ( -0.000 0.314 -0.000) 0.314 9.706 ( 0.000 -3.824 0.000) 3.824 9.958 ( 0.000 1.859 -0.000) 1.859 10.686 ( 0.000 -0.464 0.000) 0.464 10.839 ( 0.000 3.908 0.000) 3.908 10.951 ( 0.000 -4.116 -0.000) 4.116 11.141 ( 0.000 0.498 -0.000) 0.498 11.172 ( 0.000 4.740 -0.000) 4.740 11.335 ( -0.000 5.832 0.000) 5.832 11.357 ( 0.000 -1.579 -0.000) 1.579 11.786 ( -0.000 -0.098 0.000) 0.098 11.861 ( 0.000 -3.492 0.000) 3.492 12.044 ( 0.000 -0.113 0.000) 0.113 12.075 ( 0.000 1.897 0.000) 1.897 12.192 ( 0.000 2.866 -0.000) 2.866 14.740 ( 0.000 -7.928 0.000) 7.928 15.008 ( 0.000 2.347 0.000) 2.347 19.355 ( 0.000 -1.686 0.000) 1.686 20.530 ( 0.000 2.424 -0.000) 2.424 20.611 ( -0.000 1.659 0.000) 1.659 20.854 ( 0.000 -11.614 0.000) 11.614 21.252 ( 0.000 -0.053 0.000) 0.053 21.526 ( 0.000 -3.174 0.000) 3.174 22.024 ( 0.000 2.181 0.000) 2.181 22.244 ( 0.000 6.486 0.000) 6.486 22.534 ( 0.000 2.013 0.000) 2.013 22.786 ( 0.000 4.960 -0.000) 4.960 23.211 ( 0.000 4.929 0.000) 4.929 23.343 ( 0.000 -1.056 -0.000) 1.056 23.588 ( 0.000 -6.070 0.000) 6.070 23.633 ( 0.000 8.678 0.000) 8.678 ======================= Grid point 14 (9/96) ======================= q-point: ( 0.00 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 0.000 27.970 0.000) 27.970 1.286 ( 0.000 32.492 0.000) 32.492 1.416 ( 0.000 39.251 0.000) 39.251 1.919 ( 0.000 7.505 0.000) 7.505 2.566 ( 0.000 -11.768 0.000) 11.768 2.846 ( 0.000 -29.991 0.000) 29.991 3.013 ( 0.000 -11.979 0.000) 11.979 3.107 ( 0.000 -8.280 0.000) 8.280 3.159 ( 0.000 1.960 0.000) 1.960 3.373 ( 0.000 -9.780 0.000) 9.780 3.512 ( 0.000 -5.939 0.000) 5.939 3.604 ( 0.000 -9.220 0.000) 9.220 3.666 ( 0.000 -19.071 0.000) 19.071 3.895 ( 0.000 -4.273 0.000) 4.273 4.002 ( 0.000 4.329 0.000) 4.329 4.127 ( 0.000 -6.162 0.000) 6.162 4.303 ( 0.000 -21.740 0.000) 21.740 4.347 ( 0.000 -6.770 0.000) 6.770 4.534 ( 0.000 1.153 0.000) 1.153 4.542 ( 0.000 2.459 0.000) 2.459 4.623 ( 0.000 8.015 0.000) 8.015 4.754 ( 0.000 -5.934 0.000) 5.934 4.757 ( 0.000 -7.641 0.000) 7.641 4.995 ( 0.000 3.704 0.000) 3.704 5.048 ( 0.000 -6.359 0.000) 6.359 5.135 ( 0.000 -5.356 0.000) 5.356 5.238 ( 0.000 -3.171 0.000) 3.171 5.301 ( 0.000 2.413 0.000) 2.413 5.342 ( 0.000 -1.491 0.000) 1.491 5.605 ( 0.000 3.530 0.000) 3.530 5.695 ( 0.000 0.636 0.000) 0.636 5.750 ( 0.000 -0.328 0.000) 0.328 5.855 ( 0.000 -0.628 0.000) 0.628 5.966 ( 0.000 3.308 0.000) 3.308 6.092 ( 0.000 3.167 0.000) 3.167 6.118 ( 0.000 -1.662 0.000) 1.662 6.337 ( 0.000 4.052 0.000) 4.052 6.526 ( 0.000 -0.109 0.000) 0.109 6.626 ( 0.000 1.024 0.000) 1.024 6.732 ( 0.000 -20.296 0.000) 20.296 6.870 ( 0.000 0.728 0.000) 0.728 6.939 ( 0.000 7.903 0.000) 7.903 7.100 ( 0.000 -4.747 0.000) 4.747 7.154 ( 0.000 -2.510 0.000) 2.510 7.260 ( 0.000 -9.748 0.000) 9.748 7.516 ( 0.000 -6.100 0.000) 6.100 7.593 ( 0.000 1.505 0.000) 1.505 7.728 ( 0.000 2.790 0.000) 2.790 7.818 ( 0.000 -7.072 0.000) 7.072 7.948 ( 0.000 0.066 0.000) 0.066 8.174 ( 0.000 -3.966 0.000) 3.966 8.274 ( 0.000 -6.145 0.000) 6.145 8.312 ( 0.000 -2.895 0.000) 2.895 8.588 ( 0.000 -1.240 0.000) 1.240 8.840 ( 0.000 -6.596 0.000) 6.596 8.869 ( 0.000 -1.967 0.000) 1.967 9.140 ( 0.000 3.531 0.000) 3.531 9.383 ( 0.000 2.016 0.000) 2.016 9.431 ( 0.000 -4.911 0.000) 4.911 9.445 ( 0.000 0.820 0.000) 0.820 9.592 ( 0.000 3.490 0.000) 3.490 9.869 ( 0.000 1.612 0.000) 1.612 10.814 ( 0.000 5.165 0.000) 5.165 10.832 ( 0.000 0.706 0.000) 0.706 10.951 ( 0.000 5.267 0.000) 5.267 11.023 ( 0.000 0.479 0.000) 0.479 11.244 ( 0.000 2.305 0.000) 2.305 11.342 ( 0.000 -6.334 0.000) 6.334 11.589 ( 0.000 0.966 0.000) 0.966 11.623 ( 0.000 2.074 0.000) 2.074 11.683 ( 0.000 -0.925 0.000) 0.925 11.895 ( 0.000 2.075 0.000) 2.075 12.157 ( 0.000 5.906 0.000) 5.906 12.266 ( 0.000 6.905 0.000) 6.905 14.788 ( 0.000 -4.182 0.000) 4.182 15.093 ( 0.000 -0.652 0.000) 0.652 19.524 ( 0.000 -11.618 0.000) 11.618 19.667 ( 0.000 -10.435 0.000) 10.435 20.592 ( 0.000 5.853 0.000) 5.853 20.793 ( 0.000 8.537 0.000) 8.537 21.326 ( 0.000 4.402 0.000) 4.402 21.490 ( 0.000 2.313 0.000) 2.313 21.893 ( 0.000 -2.855 0.000) 2.855 21.898 ( 0.000 0.890 0.000) 0.890 22.812 ( 0.000 -4.987 0.000) 4.987 22.955 ( 0.000 10.363 0.000) 10.363 22.978 ( 0.000 9.589 0.000) 9.589 23.295 ( 0.000 -1.149 0.000) 1.149 23.490 ( 0.000 5.088 0.000) 5.088 24.424 ( 0.000 0.861 0.000) 0.861 ======================= Grid point 15 (10/96) ======================= q-point: ( 0.17 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 8.111 28.305 1.449) 29.480 1.419 ( 20.666 26.994 -6.820) 34.674 1.964 ( 17.647 10.033 15.786) 25.715 2.176 ( 22.599 13.842 19.842) 33.106 2.570 ( 1.174 -5.309 -4.239) 6.894 2.822 ( -2.288 -22.074 2.035) 22.285 2.910 ( -7.220 -9.995 -14.726) 19.206 2.963 ( -11.694 -2.843 -2.078) 12.213 3.116 ( 5.242 -12.661 -0.898) 13.733 3.298 ( -9.037 -4.653 6.126) 11.868 3.462 ( -10.161 -8.974 6.056) 14.848 3.593 ( -3.374 -14.193 -0.570) 14.599 3.711 ( -9.770 -1.065 -3.679) 10.494 3.837 ( -0.306 -3.972 1.591) 4.290 3.949 ( 1.885 -9.266 -1.340) 9.550 4.184 ( -3.941 -2.785 -9.554) 10.703 4.225 ( 9.579 -0.490 0.836) 9.628 4.364 ( -1.638 -12.514 0.419) 12.628 4.425 ( 2.423 -8.707 2.593) 9.403 4.479 ( 0.247 0.903 -9.960) 10.004 4.615 ( 2.501 -3.892 3.091) 5.564 4.682 ( -3.292 -9.110 0.735) 9.714 4.836 ( 2.363 -5.300 4.344) 7.249 5.064 ( -5.574 -1.308 4.503) 7.284 5.089 ( 0.166 -6.026 0.062) 6.029 5.216 ( 0.366 -2.185 8.419) 8.705 5.277 ( -2.070 -0.992 6.381) 6.782 5.314 ( 0.894 0.969 -0.945) 1.622 5.420 ( 7.725 5.594 -1.543) 9.662 5.531 ( -8.595 -1.953 0.790) 8.850 5.611 ( -5.888 -0.905 -4.830) 7.670 5.666 ( -2.061 1.979 2.104) 3.549 5.806 ( -4.356 1.717 -5.243) 7.030 5.870 ( 1.481 2.914 -2.032) 3.849 6.050 ( -3.936 3.122 -2.085) 5.440 6.159 ( 5.867 1.634 -3.435) 6.992 6.411 ( -13.041 -2.666 -6.373) 14.758 6.539 ( 9.253 -1.220 2.455) 9.650 6.634 ( -1.234 0.420 1.644) 2.098 6.770 ( -3.143 1.184 0.472) 3.391 6.810 ( -7.045 -1.586 1.283) 7.334 6.930 ( 10.380 2.122 -3.250) 11.082 7.080 ( -3.602 7.260 1.397) 8.224 7.095 ( -0.459 -5.233 2.915) 6.008 7.242 ( 6.194 -5.078 -4.865) 9.371 7.475 ( -9.383 -1.288 -4.482) 10.478 7.608 ( 2.485 1.158 -1.878) 3.323 7.712 ( -0.089 -3.746 -1.816) 4.164 7.831 ( -5.174 -0.149 1.166) 5.306 8.017 ( 8.825 -6.682 2.406) 11.327 8.136 ( 1.133 -6.589 -0.784) 6.732 8.257 ( 2.920 -0.465 -1.205) 3.194 8.336 ( 2.549 -7.386 0.251) 7.817 8.595 ( 0.032 -4.171 0.819) 4.251 8.809 ( -2.770 -6.181 -5.718) 8.865 8.858 ( 0.420 -2.338 -0.476) 2.423 9.058 ( -6.905 5.645 0.052) 8.919 9.320 ( -1.999 0.233 -5.821) 6.159 9.402 ( 1.942 2.291 -1.114) 3.203 9.457 ( 0.701 -0.626 -2.331) 2.513 9.621 ( -0.089 -1.971 4.549) 4.958 9.954 ( 1.717 0.613 6.679) 6.923 10.706 ( -4.057 0.699 0.917) 4.218 10.878 ( -2.906 2.552 0.950) 3.982 10.992 ( 7.934 4.020 -0.419) 8.905 11.079 ( -0.533 2.302 1.374) 2.734 11.269 ( 3.097 2.234 -6.533) 7.567 11.324 ( -0.762 -2.041 -0.043) 2.180 11.487 ( -3.949 0.739 0.178) 4.022 11.673 ( 2.399 -2.789 2.312) 4.345 11.801 ( 0.101 -0.122 5.551) 5.554 11.934 ( 2.182 -1.574 8.761) 9.165 12.165 ( 1.359 6.640 -2.107) 7.098 12.247 ( -0.990 5.639 -1.043) 5.819 14.822 ( 1.523 -3.082 -0.022) 3.438 14.913 ( -7.639 1.872 -6.642) 10.294 19.555 ( -4.162 -9.468 -3.425) 10.895 19.958 ( 16.838 -23.927 20.041) 35.463 20.593 ( 1.479 5.056 -2.571) 5.862 20.792 ( 0.483 8.105 -1.081) 8.191 21.334 ( -0.216 2.958 -0.877) 3.093 21.522 ( 0.416 0.458 2.608) 2.681 21.749 ( -1.716 -1.838 2.884) 3.826 22.116 ( 10.815 2.096 0.596) 11.033 22.713 ( -3.830 0.637 -4.471) 5.922 22.946 ( -1.242 7.410 -2.141) 7.812 23.100 ( 4.926 4.770 9.499) 11.715 23.324 ( 1.375 0.518 2.386) 2.802 23.480 ( 0.034 4.253 -1.976) 4.689 24.248 ( -10.782 6.547 -9.330) 15.689 ======================= Grid point 16 (11/96) ======================= q-point: ( 0.33 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 20.038 11.612 10.176) 25.296 1.820 ( 24.971 17.987 -2.735) 30.896 2.307 ( 5.836 1.156 6.514) 8.822 2.399 ( -4.603 -7.201 -9.932) 13.103 2.501 ( -5.924 4.175 -1.756) 7.457 2.646 ( -8.735 -3.361 -8.469) 12.622 2.807 ( -6.632 -20.313 4.163) 21.770 3.020 ( -12.649 -1.108 1.803) 12.825 3.165 ( 2.058 6.913 8.935) 11.483 3.267 ( 4.692 -7.372 -2.513) 9.093 3.315 ( 11.118 -9.022 6.477) 15.714 3.452 ( -3.366 -14.578 1.635) 15.051 3.616 ( 5.716 -8.064 10.479) 14.405 3.808 ( -4.130 -3.880 -1.570) 5.880 3.990 ( -3.132 -7.047 -3.483) 8.461 4.209 ( 6.528 -16.012 2.471) 17.467 4.280 ( 0.498 -14.164 -3.877) 14.694 4.335 ( 4.138 -0.777 -1.137) 4.362 4.515 ( 4.095 -0.363 2.219) 4.671 4.541 ( 5.216 -2.037 -2.878) 6.296 4.650 ( -1.159 -10.678 4.055) 11.481 4.738 ( 2.876 -8.568 1.800) 9.215 4.958 ( -7.817 -2.256 7.194) 10.860 4.995 ( -0.702 0.312 1.898) 2.047 5.093 ( 3.797 -0.218 1.568) 4.114 5.126 ( -1.295 -4.940 -2.530) 5.699 5.256 ( -6.452 3.086 -2.556) 7.595 5.317 ( -7.328 -0.964 -1.866) 7.623 5.358 ( -1.235 0.121 -2.975) 3.223 5.422 ( -1.462 -1.828 -0.562) 2.407 5.541 ( -0.181 1.625 2.375) 2.883 5.649 ( -0.601 -1.045 0.212) 1.224 5.718 ( -4.588 2.466 1.273) 5.362 5.845 ( -11.217 -0.995 5.042) 12.338 5.923 ( 2.885 5.877 -6.431) 9.177 6.159 ( -2.815 4.530 -4.032) 6.686 6.294 ( -9.001 2.806 -4.910) 10.630 6.368 ( -5.021 5.881 -1.319) 7.844 6.576 ( 3.063 1.355 -12.699) 13.133 6.698 ( -10.357 1.499 -6.394) 12.264 6.793 ( 6.992 2.191 1.120) 7.413 7.013 ( -1.554 2.340 2.861) 4.009 7.064 ( 3.465 3.373 -3.413) 5.918 7.238 ( 6.282 -3.642 11.531) 13.627 7.350 ( 2.906 -1.134 4.126) 5.172 7.407 ( 6.391 -0.720 -0.008) 6.431 7.650 ( 3.321 4.554 -2.772) 6.281 7.707 ( 0.396 -3.939 -3.711) 5.426 7.784 ( 2.609 -1.878 -1.444) 3.524 7.943 ( -7.571 -3.450 -0.255) 8.324 8.259 ( -0.067 -6.669 1.516) 6.840 8.368 ( 0.004 -7.245 3.642) 8.109 8.414 ( 9.839 -9.827 -0.051) 13.906 8.609 ( -3.020 -14.242 2.913) 14.847 8.654 ( 0.080 -3.487 -12.469) 12.948 8.862 ( 1.387 1.361 -1.160) 2.263 8.957 ( -5.189 4.702 3.542) 7.848 9.277 ( 1.309 1.564 -1.421) 2.486 9.403 ( -0.055 0.936 -3.220) 3.354 9.473 ( 2.903 0.933 -1.153) 3.260 9.648 ( -1.477 -2.663 4.003) 5.030 10.002 ( -2.271 0.491 3.710) 4.377 10.674 ( -0.845 -1.257 0.652) 1.649 10.851 ( -0.980 0.887 2.641) 2.953 11.018 ( -4.937 2.191 -1.409) 5.582 11.133 ( 4.863 1.584 -0.509) 5.140 11.198 ( 0.890 2.535 -3.398) 4.331 11.361 ( -0.205 -0.368 -0.570) 0.709 11.431 ( -2.073 1.941 2.495) 3.780 11.743 ( 2.793 -2.739 0.449) 3.937 11.802 ( -1.185 0.209 0.751) 1.419 12.064 ( 1.072 -0.908 7.587) 7.716 12.145 ( -0.641 7.063 -2.687) 7.584 12.236 ( 0.450 3.281 -0.306) 3.326 14.684 ( -4.607 -2.234 -4.886) 7.078 14.951 ( 4.609 -1.435 2.138) 5.279 19.405 ( -5.666 -4.527 -4.718) 8.652 20.324 ( 4.167 -23.445 13.510) 27.378 20.595 ( 1.739 3.868 -3.516) 5.509 20.791 ( 0.586 6.927 -1.093) 7.037 21.299 ( -0.930 2.534 -2.285) 3.536 21.475 ( -4.385 -5.878 0.893) 7.388 21.933 ( 9.827 1.435 7.004) 12.152 22.289 ( 5.880 4.035 1.775) 7.349 22.617 ( -2.467 1.462 -3.330) 4.394 22.900 ( -1.109 4.965 -2.092) 5.500 23.266 ( 2.931 4.046 8.299) 9.687 23.374 ( 0.685 4.054 2.654) 4.893 23.459 ( 0.882 0.061 -3.752) 3.855 23.960 ( -8.661 10.841 -7.829) 15.933 ======================= Grid point 17 (12/96) ======================= q-point: (-0.50 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 0.000 -7.122 0.000) 7.122 2.042 ( -0.000 9.054 -0.000) 9.054 2.201 ( 0.000 7.261 -0.000) 7.261 2.324 ( -0.000 12.201 0.000) 12.201 2.489 ( 0.000 3.349 -0.000) 3.349 2.556 ( -0.000 8.504 0.000) 8.504 2.656 ( -0.000 -8.321 0.000) 8.321 2.902 ( -0.000 -20.253 -0.000) 20.253 3.097 ( -0.000 7.576 0.000) 7.576 3.234 ( 0.000 -31.449 -0.000) 31.449 3.457 ( -0.000 -19.087 0.000) 19.087 3.633 ( 0.000 -15.127 0.000) 15.127 3.690 ( 0.000 -3.437 -0.000) 3.437 3.951 ( -0.000 -8.920 -0.000) 8.920 4.004 ( 0.000 -1.365 0.000) 1.365 4.220 ( -0.000 -14.479 0.000) 14.479 4.305 ( 0.000 -8.493 -0.000) 8.493 4.447 ( -0.000 -8.374 -0.000) 8.374 4.559 ( 0.000 -4.167 0.000) 4.167 4.562 ( -0.000 4.593 -0.000) 4.593 4.624 ( 0.000 0.437 -0.000) 0.437 4.792 ( -0.000 -4.579 0.000) 4.579 4.825 ( -0.000 0.881 -0.000) 0.881 4.876 ( 0.000 2.013 0.000) 2.013 4.994 ( 0.000 -0.375 0.000) 0.375 5.132 ( -0.000 -5.032 0.000) 5.032 5.247 ( 0.000 0.412 -0.000) 0.412 5.335 ( 0.000 0.510 -0.000) 0.510 5.336 ( -0.000 -3.137 0.000) 3.137 5.477 ( 0.000 -1.006 0.000) 1.006 5.498 ( -0.000 0.524 -0.000) 0.524 5.659 ( -0.000 -1.036 0.000) 1.036 5.723 ( 0.000 -6.036 -0.000) 6.036 5.743 ( -0.000 7.182 -0.000) 7.182 5.909 ( 0.000 5.742 -0.000) 5.742 5.992 ( 0.000 2.928 -0.000) 2.928 6.236 ( -0.000 0.502 -0.000) 0.502 6.302 ( 0.000 10.779 0.000) 10.779 6.401 ( 0.000 2.340 0.000) 2.340 6.755 ( -0.000 1.681 0.000) 1.681 6.781 ( 0.000 5.558 -0.000) 5.558 7.015 ( 0.000 -4.229 0.000) 4.229 7.078 ( 0.000 5.903 -0.000) 5.903 7.410 ( 0.000 -0.931 0.000) 0.931 7.424 ( -0.000 -5.457 0.000) 5.457 7.488 ( 0.000 -1.200 -0.000) 1.200 7.656 ( -0.000 2.648 0.000) 2.648 7.666 ( 0.000 5.799 -0.000) 5.799 7.804 ( -0.000 -7.114 0.000) 7.114 7.887 ( 0.000 -4.055 -0.000) 4.055 8.259 ( 0.000 -2.429 0.000) 2.429 8.346 ( 0.000 -14.319 -0.000) 14.319 8.468 ( -0.000 0.874 0.000) 0.874 8.609 ( -0.000 -4.912 0.000) 4.912 8.620 ( 0.000 -21.391 -0.000) 21.391 8.881 ( 0.000 3.234 0.000) 3.234 8.922 ( -0.000 2.644 0.000) 2.644 9.323 ( -0.000 2.037 -0.000) 2.037 9.351 ( 0.000 -0.689 0.000) 0.689 9.510 ( -0.000 1.957 -0.000) 1.957 9.652 ( 0.000 -1.816 0.000) 1.816 9.980 ( 0.000 0.404 0.000) 0.404 10.670 ( -0.000 -1.514 0.000) 1.514 10.897 ( -0.000 -1.663 -0.000) 1.663 10.914 ( 0.000 3.468 0.000) 3.468 11.137 ( 0.000 -0.865 -0.000) 0.865 11.283 ( 0.000 6.051 0.000) 6.051 11.292 ( -0.000 -4.755 0.000) 4.755 11.441 ( 0.000 5.228 -0.000) 5.228 11.777 ( -0.000 -3.776 0.000) 3.776 11.788 ( 0.000 0.358 0.000) 0.358 12.112 ( 0.000 1.503 0.000) 1.503 12.120 ( 0.000 6.513 -0.000) 6.513 12.241 ( 0.000 2.718 -0.000) 2.718 14.618 ( 0.000 -4.415 0.000) 4.415 15.014 ( 0.000 -1.470 0.000) 1.470 19.318 ( 0.000 -2.003 0.000) 2.003 20.422 ( -0.000 -20.596 0.000) 20.596 20.593 ( 0.000 4.006 -0.000) 4.006 20.792 ( 0.000 6.193 -0.000) 6.193 21.278 ( 0.000 2.058 0.000) 2.058 21.434 ( 0.000 -6.401 0.000) 6.401 22.081 ( 0.000 3.396 0.000) 3.396 22.358 ( 0.000 4.478 -0.000) 4.478 22.568 ( 0.000 0.614 0.000) 0.614 22.877 ( 0.000 3.932 -0.000) 3.932 23.358 ( 0.000 2.276 0.000) 2.276 23.371 ( 0.000 11.574 -0.000) 11.574 23.452 ( 0.000 -6.018 0.000) 6.018 23.831 ( 0.000 11.089 0.000) 11.089 ======================= Grid point 21 (13/96) ======================= q-point: ( 0.00 0.30 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 0.000 22.512 0.000) 22.512 1.876 ( 0.000 27.959 0.000) 27.959 2.059 ( 0.000 15.716 0.000) 15.716 2.060 ( 0.000 7.819 0.000) 7.819 2.200 ( 0.000 -28.871 0.000) 28.871 2.396 ( 0.000 -5.537 0.000) 5.537 2.731 ( 0.000 -19.143 0.000) 19.143 2.900 ( 0.000 -7.207 0.000) 7.207 3.160 ( 0.000 -4.417 0.000) 4.417 3.282 ( 0.000 0.866 0.000) 0.866 3.380 ( 0.000 9.232 0.000) 9.232 3.412 ( 0.000 -8.879 0.000) 8.879 3.649 ( 0.000 2.547 0.000) 2.547 3.758 ( 0.000 -10.157 0.000) 10.157 3.893 ( 0.000 -15.820 0.000) 15.820 3.960 ( 0.000 -11.257 0.000) 11.257 4.086 ( 0.000 2.453 0.000) 2.453 4.232 ( 0.000 -5.004 0.000) 5.004 4.490 ( 0.000 -9.764 0.000) 9.764 4.558 ( 0.000 1.206 0.000) 1.206 4.581 ( 0.000 -10.769 0.000) 10.769 4.661 ( 0.000 -1.959 0.000) 1.959 4.777 ( 0.000 2.155 0.000) 2.155 4.922 ( 0.000 -9.701 0.000) 9.701 4.978 ( 0.000 4.542 0.000) 4.542 5.078 ( 0.000 -1.796 0.000) 1.796 5.207 ( 0.000 1.243 0.000) 1.243 5.326 ( 0.000 -0.427 0.000) 0.427 5.387 ( 0.000 4.255 0.000) 4.255 5.651 ( 0.000 -4.736 0.000) 4.736 5.674 ( 0.000 3.860 0.000) 3.860 5.716 ( 0.000 -3.238 0.000) 3.238 5.836 ( 0.000 -0.616 0.000) 0.616 5.956 ( 0.000 -18.722 0.000) 18.722 6.036 ( 0.000 3.562 0.000) 3.562 6.114 ( 0.000 -1.948 0.000) 1.948 6.344 ( 0.000 -13.353 0.000) 13.353 6.448 ( 0.000 7.411 0.000) 7.411 6.519 ( 0.000 -1.131 0.000) 1.131 6.576 ( 0.000 -6.014 0.000) 6.014 6.888 ( 0.000 2.092 0.000) 2.092 6.907 ( 0.000 -15.934 0.000) 15.934 7.058 ( 0.000 0.001 0.000) 0.001 7.070 ( 0.000 4.115 0.000) 4.115 7.255 ( 0.000 1.918 0.000) 1.918 7.378 ( 0.000 -7.809 0.000) 7.809 7.558 ( 0.000 -5.019 0.000) 5.019 7.758 ( 0.000 1.418 0.000) 1.418 7.781 ( 0.000 2.369 0.000) 2.369 7.966 ( 0.000 1.125 0.000) 1.125 8.070 ( 0.000 -5.969 0.000) 5.969 8.123 ( 0.000 -8.252 0.000) 8.252 8.237 ( 0.000 -4.670 0.000) 4.670 8.555 ( 0.000 -1.444 0.000) 1.444 8.783 ( 0.000 -0.052 0.000) 0.052 8.832 ( 0.000 -1.715 0.000) 1.715 9.208 ( 0.000 3.465 0.000) 3.465 9.383 ( 0.000 -0.170 0.000) 0.170 9.430 ( 0.000 2.031 0.000) 2.031 9.467 ( 0.000 1.298 0.000) 1.298 9.655 ( 0.000 2.939 0.000) 2.939 9.895 ( 0.000 1.233 0.000) 1.233 10.855 ( 0.000 1.628 0.000) 1.628 10.920 ( 0.000 5.606 0.000) 5.606 11.040 ( 0.000 3.655 0.000) 3.655 11.045 ( 0.000 1.633 0.000) 1.633 11.236 ( 0.000 -4.119 0.000) 4.119 11.279 ( 0.000 1.519 0.000) 1.519 11.588 ( 0.000 -1.792 0.000) 1.792 11.650 ( 0.000 0.575 0.000) 0.575 11.668 ( 0.000 -0.026 0.000) 0.026 11.919 ( 0.000 0.496 0.000) 0.496 12.283 ( 0.000 7.025 0.000) 7.025 12.398 ( 0.000 6.253 0.000) 6.253 14.726 ( 0.000 -2.239 0.000) 2.239 15.064 ( 0.000 -2.164 0.000) 2.164 19.318 ( 0.000 -9.512 0.000) 9.512 19.481 ( 0.000 -8.597 0.000) 8.597 20.715 ( 0.000 7.088 0.000) 7.088 20.980 ( 0.000 10.905 0.000) 10.905 21.319 ( 0.000 -4.524 0.000) 4.524 21.557 ( 0.000 4.221 0.000) 4.221 21.798 ( 0.000 -6.898 0.000) 6.898 21.925 ( 0.000 1.621 0.000) 1.621 22.683 ( 0.000 -7.744 0.000) 7.744 23.156 ( 0.000 10.156 0.000) 10.156 23.176 ( 0.000 10.225 0.000) 10.225 23.258 ( 0.000 -2.377 0.000) 2.377 23.644 ( 0.000 9.727 0.000) 9.727 24.441 ( 0.000 0.833 0.000) 0.833 ======================= Grid point 22 (14/96) ======================= q-point: ( 0.17 0.30 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 1.558 24.837 1.889) 24.958 1.927 ( 14.615 23.066 -14.817) 31.067 2.053 ( 4.685 -4.020 6.857) 9.227 2.186 ( -1.372 -20.738 3.389) 21.058 2.386 ( 6.706 -1.206 6.108) 9.150 2.487 ( 7.575 -5.141 6.120) 11.012 2.766 ( 1.012 -21.255 -0.262) 21.281 2.856 ( -2.104 -4.268 0.343) 4.771 3.046 ( 1.915 13.274 -0.640) 13.426 3.203 ( -10.403 0.651 -2.569) 10.735 3.384 ( -4.263 -0.033 0.229) 4.269 3.515 ( 4.352 -5.987 9.602) 12.124 3.582 ( -4.850 3.195 1.940) 6.123 3.761 ( -1.671 -4.070 1.586) 4.676 3.850 ( -4.760 -7.395 -5.587) 10.419 3.920 ( 1.734 -14.681 -6.559) 16.173 4.175 ( 1.225 -4.806 0.660) 5.003 4.265 ( 3.611 -8.203 7.452) 11.655 4.380 ( -11.740 6.343 -5.326) 14.368 4.476 ( 0.943 -3.877 -2.669) 4.800 4.546 ( -4.814 -1.556 -5.828) 7.718 4.591 ( 1.288 -1.258 -0.219) 1.814 4.695 ( 3.468 -7.112 7.822) 11.126 4.902 ( 1.199 -11.477 -1.820) 11.682 5.017 ( -1.357 -3.992 6.740) 7.950 5.147 ( -3.786 -2.914 8.283) 9.562 5.249 ( -4.030 -3.689 9.170) 10.675 5.389 ( 0.831 3.723 -4.919) 6.225 5.408 ( -10.006 -6.622 -3.791) 12.583 5.525 ( 6.465 4.158 -2.298) 8.023 5.616 ( -7.267 0.081 -5.488) 9.107 5.683 ( -1.028 -1.580 1.721) 2.553 5.816 ( -1.741 -0.845 -2.707) 3.328 5.937 ( -9.847 -5.084 2.285) 11.315 5.974 ( 4.165 -5.835 2.631) 7.636 6.165 ( 8.728 0.692 -11.785) 14.681 6.269 ( -2.977 -4.396 -4.081) 6.697 6.551 ( 10.541 1.367 1.483) 10.733 6.621 ( 2.495 -3.725 6.727) 8.084 6.746 ( -3.386 -4.800 -3.315) 6.745 6.803 ( -0.354 2.206 -0.774) 2.364 6.879 ( 3.172 -6.856 4.538) 8.812 7.050 ( 3.690 0.163 -2.799) 4.634 7.168 ( 10.544 -0.503 -2.270) 10.798 7.195 ( -1.548 3.889 -1.390) 4.411 7.420 ( -5.612 -4.008 -4.333) 8.145 7.528 ( 3.179 -6.317 1.835) 7.306 7.719 ( -0.028 1.717 -5.682) 5.936 7.818 ( 0.936 -0.632 1.993) 2.291 7.946 ( -0.152 -0.588 0.985) 1.157 8.018 ( -4.351 -5.821 -1.413) 7.404 8.158 ( 1.487 -8.958 -0.113) 9.081 8.244 ( 4.361 -1.502 -2.072) 5.057 8.526 ( -5.347 -2.607 4.511) 7.466 8.749 ( -1.369 -0.949 -9.523) 9.668 8.841 ( 1.354 -0.046 2.830) 3.137 9.163 ( -4.936 5.061 0.812) 7.115 9.333 ( -0.134 1.064 -7.118) 7.198 9.444 ( 1.357 1.801 -1.031) 2.479 9.456 ( 0.482 0.502 -1.312) 1.485 9.622 ( -4.215 1.358 6.394) 7.778 9.958 ( 1.771 -0.098 4.655) 4.981 10.718 ( -6.707 0.452 -0.046) 6.722 10.927 ( -4.676 2.444 0.607) 5.311 11.043 ( 3.662 0.740 -0.931) 3.850 11.143 ( 2.484 4.519 2.388) 5.683 11.303 ( 3.502 0.361 1.158) 3.706 11.309 ( 4.504 1.832 -5.299) 7.192 11.487 ( -6.858 -0.790 -1.673) 7.103 11.619 ( 3.645 -2.890 1.187) 4.801 11.799 ( 0.487 -0.021 8.443) 8.457 11.914 ( -1.379 -0.973 5.565) 5.815 12.297 ( 1.748 6.883 -1.420) 7.242 12.366 ( -1.697 6.281 -2.756) 7.065 14.771 ( 3.113 -2.158 0.796) 3.870 14.923 ( -7.657 -0.493 -7.218) 10.534 19.391 ( -0.328 -7.320 -0.473) 7.342 19.598 ( 11.020 -14.583 10.418) 21.039 20.706 ( -0.421 6.610 -0.916) 6.686 20.970 ( 0.060 10.269 -1.808) 10.427 21.316 ( 0.116 -4.841 -1.338) 5.024 21.514 ( -7.593 -1.083 0.276) 7.675 21.753 ( 4.058 1.616 4.860) 6.534 22.126 ( 13.439 -0.784 -1.300) 13.524 22.653 ( -3.264 -5.961 0.948) 6.862 23.066 ( -3.834 4.015 -4.738) 7.299 23.223 ( 1.884 7.516 4.875) 9.154 23.347 ( 3.837 3.000 3.993) 6.298 23.637 ( -0.063 10.367 -1.123) 10.428 24.338 ( -6.960 3.354 -5.551) 9.513 ======================= Grid point 23 (15/96) ======================= q-point: ( 0.33 0.30 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( 6.049 15.876 2.304) 17.145 1.996 ( 4.661 -20.279 -8.697) 22.552 2.260 ( 7.796 2.772 5.960) 10.197 2.318 ( 9.004 -1.456 7.452) 11.779 2.397 ( -1.125 0.499 -4.893) 5.046 2.593 ( 1.514 -1.746 0.385) 2.342 2.728 ( 1.071 -2.728 -4.609) 5.462 2.796 ( -4.490 -8.666 -4.092) 10.583 3.047 ( -5.382 -4.463 1.665) 7.187 3.146 ( -7.494 -3.945 4.448) 9.566 3.329 ( -4.289 2.949 2.393) 5.729 3.446 ( -11.292 8.178 -0.601) 13.955 3.648 ( 13.696 7.867 9.939) 18.662 3.748 ( -0.751 -3.851 -3.087) 4.992 3.833 ( 2.317 -10.033 1.098) 10.355 3.937 ( 4.690 -14.734 -0.508) 15.471 3.986 ( -7.263 -6.708 -1.982) 10.084 4.325 ( -1.455 -4.544 2.738) 5.501 4.408 ( 5.318 -7.563 0.056) 9.245 4.501 ( 0.393 -6.191 2.990) 6.886 4.512 ( 1.555 -1.256 4.390) 4.823 4.671 ( 8.718 -0.308 -2.287) 9.018 4.868 ( -1.380 -6.652 -1.068) 6.877 4.992 ( 7.240 -0.472 11.256) 13.392 5.015 ( -4.363 -5.384 3.539) 7.782 5.040 ( -3.147 -4.256 6.105) 8.081 5.258 ( -2.045 -6.557 -6.316) 9.331 5.290 ( -3.191 -2.967 5.633) 7.121 5.307 ( -5.528 -1.842 -6.481) 8.715 5.394 ( -5.272 1.434 -3.651) 6.571 5.576 ( -12.252 -8.858 2.135) 15.269 5.593 ( 3.604 1.425 -2.913) 4.848 5.723 ( -0.768 -2.246 2.870) 3.725 5.780 ( -3.807 -1.926 -2.026) 4.723 6.055 ( 2.793 6.635 -4.479) 8.478 6.206 ( -0.120 1.267 0.178) 1.285 6.331 ( -7.877 1.700 -5.427) 9.715 6.410 ( -1.612 -0.436 -4.700) 4.988 6.607 ( 6.317 1.431 -9.957) 11.878 6.708 ( -6.005 -0.786 -7.189) 9.400 6.818 ( 3.433 1.463 5.155) 6.364 7.010 ( -0.072 -2.905 -2.515) 3.843 7.145 ( 5.948 3.308 -1.700) 7.015 7.193 ( 1.899 -0.360 8.728) 8.939 7.296 ( -1.713 -3.741 3.329) 5.293 7.387 ( 13.918 -0.578 -5.458) 14.961 7.607 ( 3.758 -5.564 -1.833) 6.960 7.720 ( 4.207 1.612 -1.839) 4.866 7.809 ( -3.115 0.884 0.126) 3.240 7.884 ( -7.213 -2.020 1.669) 7.674 8.026 ( 4.742 -11.671 1.064) 12.643 8.153 ( -0.615 -9.444 -1.069) 9.524 8.346 ( 3.846 -1.163 0.372) 4.036 8.446 ( -8.741 -5.006 9.151) 13.609 8.611 ( 1.290 -1.303 -15.377) 15.485 8.895 ( 1.064 1.779 3.258) 3.861 9.062 ( -5.397 5.374 0.423) 7.628 9.307 ( 3.894 1.433 -5.311) 6.739 9.427 ( -2.223 1.508 -0.328) 2.706 9.496 ( 3.853 1.329 0.153) 4.078 9.625 ( -2.189 -0.052 5.569) 5.984 10.000 ( -1.624 -0.666 2.372) 2.951 10.636 ( -2.402 -2.637 0.380) 3.587 10.872 ( -2.356 1.317 2.884) 3.950 11.020 ( -3.717 -1.282 -0.047) 3.933 11.166 ( -1.593 1.714 -6.201) 6.628 11.245 ( -0.924 1.248 -3.324) 3.669 11.355 ( 2.026 1.548 1.142) 2.794 11.488 ( 2.579 3.474 3.646) 5.658 11.700 ( 2.511 -2.058 0.536) 3.290 11.813 ( -1.815 0.705 1.174) 2.274 12.029 ( 2.393 -2.532 10.809) 11.356 12.290 ( -1.485 7.381 -3.209) 8.184 12.314 ( 0.651 4.751 -2.310) 5.322 14.668 ( -6.012 0.310 -6.177) 8.625 14.906 ( 4.311 -3.113 1.592) 5.550 19.331 ( -2.701 -3.046 -2.424) 4.738 19.907 ( 7.972 -18.902 9.129) 22.454 20.689 ( -0.349 5.743 -0.745) 5.802 20.955 ( 0.220 9.463 -1.736) 9.624 21.299 ( -0.254 -5.150 -1.424) 5.349 21.369 ( -5.733 -2.482 -0.629) 6.279 21.978 ( 9.971 2.767 7.285) 12.655 22.330 ( 8.824 0.342 -1.426) 8.945 22.590 ( -4.253 -4.026 0.827) 5.914 22.960 ( -2.704 0.759 -3.647) 4.603 23.304 ( 0.887 2.195 4.983) 5.517 23.445 ( 2.913 5.302 2.500) 6.546 23.624 ( 0.097 11.995 -1.415) 12.079 24.133 ( -7.141 7.275 -5.703) 11.681 ======================= Grid point 24 (16/96) ======================= q-point: (-0.50 0.30 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 0.000 4.362 0.000) 4.362 2.017 ( 0.000 -30.884 0.000) 30.884 2.304 ( -0.000 9.859 0.000) 9.859 2.413 ( 0.000 -3.042 -0.000) 3.042 2.526 ( 0.000 3.005 0.000) 3.005 2.607 ( -0.000 11.619 0.000) 11.619 2.663 ( -0.000 -17.892 -0.000) 17.892 2.772 ( 0.000 9.714 -0.000) 9.714 2.936 ( -0.000 12.643 0.000) 12.643 3.059 ( 0.000 -18.033 -0.000) 18.033 3.281 ( -0.000 10.346 0.000) 10.346 3.345 ( -0.000 -9.265 0.000) 9.265 3.673 ( 0.000 0.671 0.000) 0.671 3.821 ( -0.000 -6.158 0.000) 6.158 3.922 ( 0.000 -14.065 -0.000) 14.065 3.944 ( 0.000 -5.092 0.000) 5.092 4.012 ( 0.000 -16.371 -0.000) 16.371 4.304 ( -0.000 -9.454 0.000) 9.454 4.513 ( 0.000 -5.055 0.000) 5.055 4.562 ( 0.000 -0.163 -0.000) 0.163 4.588 ( 0.000 -4.834 -0.000) 4.834 4.738 ( 0.000 2.305 -0.000) 2.305 4.849 ( -0.000 -9.965 -0.000) 9.965 4.957 ( -0.000 -4.741 -0.000) 4.741 4.962 ( 0.000 6.664 0.000) 6.664 5.032 ( -0.000 -0.098 -0.000) 0.098 5.225 ( -0.000 -2.222 -0.000) 2.222 5.271 ( 0.000 -4.997 0.000) 4.997 5.353 ( -0.000 1.311 0.000) 1.311 5.358 ( 0.000 -7.096 -0.000) 7.096 5.471 ( 0.000 -7.069 0.000) 7.069 5.620 ( -0.000 -0.060 0.000) 0.060 5.654 ( 0.000 -0.988 0.000) 0.988 5.881 ( 0.000 7.341 0.000) 7.341 5.910 ( -0.000 -3.945 -0.000) 3.945 6.108 ( 0.000 7.451 0.000) 7.451 6.262 ( -0.000 2.036 -0.000) 2.036 6.398 ( 0.000 -0.484 0.000) 0.484 6.473 ( 0.000 5.062 0.000) 5.062 6.794 ( -0.000 2.036 0.000) 2.036 6.851 ( 0.000 1.585 0.000) 1.585 6.927 ( 0.000 -4.268 -0.000) 4.268 7.190 ( 0.000 5.071 -0.000) 5.071 7.305 ( -0.000 -5.834 0.000) 5.834 7.325 ( 0.000 -6.368 -0.000) 6.368 7.508 ( 0.000 1.791 -0.000) 1.791 7.676 ( -0.000 -1.256 0.000) 1.256 7.676 ( 0.000 -4.315 -0.000) 4.315 7.771 ( 0.000 1.031 0.000) 1.031 7.859 ( 0.000 1.387 0.000) 1.387 8.107 ( 0.000 -12.948 -0.000) 12.948 8.111 ( -0.000 -8.461 0.000) 8.461 8.314 ( -0.000 -6.678 0.000) 6.678 8.486 ( 0.000 0.090 0.000) 0.090 8.519 ( 0.000 -4.072 -0.000) 4.072 8.933 ( 0.000 2.173 0.000) 2.173 9.001 ( 0.000 4.576 -0.000) 4.576 9.356 ( -0.000 0.741 0.000) 0.741 9.367 ( 0.000 2.391 -0.000) 2.391 9.555 ( -0.000 2.560 0.000) 2.560 9.633 ( 0.000 -0.222 0.000) 0.222 9.975 ( 0.000 -0.874 0.000) 0.874 10.619 ( 0.000 -3.643 0.000) 3.643 10.881 ( 0.000 -0.149 -0.000) 0.149 10.964 ( 0.000 1.979 0.000) 1.979 11.095 ( 0.000 -3.431 -0.000) 3.431 11.220 ( 0.000 -2.049 0.000) 2.049 11.399 ( 0.000 6.062 -0.000) 6.062 11.534 ( 0.000 4.383 0.000) 4.383 11.723 ( -0.000 -2.267 0.000) 2.267 11.798 ( 0.000 0.619 0.000) 0.619 12.121 ( 0.000 -0.647 0.000) 0.647 12.249 ( 0.000 6.135 -0.000) 6.135 12.308 ( 0.000 4.500 -0.000) 4.500 14.576 ( 0.000 -0.126 0.000) 0.126 14.962 ( 0.000 -3.699 0.000) 3.699 19.287 ( 0.000 -1.113 0.000) 1.113 20.028 ( 0.000 -18.793 0.000) 18.793 20.682 ( 0.000 5.347 -0.000) 5.347 20.948 ( 0.000 9.130 0.000) 9.130 21.289 ( -0.000 -8.507 0.000) 8.507 21.310 ( 0.000 1.091 0.000) 1.091 22.141 ( 0.000 2.653 0.000) 2.653 22.409 ( 0.000 1.203 -0.000) 1.203 22.537 ( -0.000 -3.751 0.000) 3.751 22.913 ( 0.000 -0.806 0.000) 0.806 23.338 ( 0.000 -0.499 0.000) 0.499 23.489 ( -0.000 6.091 -0.000) 6.091 23.618 ( 0.000 13.065 0.000) 13.065 24.026 ( 0.000 8.829 0.000) 8.829 ======================= Grid point 28 (17/96) ======================= q-point: ( 0.00 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 0.000 -31.304 0.000) 31.304 1.876 ( 0.000 4.108 0.000) 4.108 2.101 ( 0.000 -4.407 0.000) 4.407 2.184 ( 0.000 -7.579 0.000) 7.579 2.321 ( 0.000 6.276 0.000) 6.276 2.425 ( 0.000 17.917 0.000) 17.917 2.531 ( 0.000 4.602 0.000) 4.602 2.866 ( 0.000 1.507 0.000) 1.507 3.274 ( 0.000 -5.953 0.000) 5.953 3.312 ( 0.000 12.244 0.000) 12.244 3.365 ( 0.000 6.299 0.000) 6.299 3.480 ( 0.000 -3.009 0.000) 3.009 3.530 ( 0.000 -12.311 0.000) 12.311 3.713 ( 0.000 -13.547 0.000) 13.547 3.749 ( 0.000 9.886 0.000) 9.886 3.871 ( 0.000 17.335 0.000) 17.335 4.086 ( 0.000 -3.521 0.000) 3.521 4.150 ( 0.000 -3.919 0.000) 3.919 4.299 ( 0.000 -7.652 0.000) 7.652 4.425 ( 0.000 -3.218 0.000) 3.218 4.490 ( 0.000 -13.033 0.000) 13.033 4.582 ( 0.000 -1.072 0.000) 1.072 4.724 ( 0.000 -5.722 0.000) 5.722 4.822 ( 0.000 -0.549 0.000) 0.549 5.004 ( 0.000 -4.205 0.000) 4.205 5.146 ( 0.000 7.162 0.000) 7.162 5.277 ( 0.000 4.265 0.000) 4.265 5.306 ( 0.000 -1.487 0.000) 1.487 5.361 ( 0.000 -15.392 0.000) 15.392 5.526 ( 0.000 -11.463 0.000) 11.463 5.567 ( 0.000 -3.207 0.000) 3.207 5.641 ( 0.000 -2.796 0.000) 2.796 5.765 ( 0.000 4.025 0.000) 4.025 5.820 ( 0.000 -1.130 0.000) 1.130 6.016 ( 0.000 -6.759 0.000) 6.759 6.094 ( 0.000 2.266 0.000) 2.266 6.238 ( 0.000 -1.565 0.000) 1.565 6.424 ( 0.000 -5.526 0.000) 5.526 6.527 ( 0.000 -0.639 0.000) 0.639 6.586 ( 0.000 1.552 0.000) 1.552 6.653 ( 0.000 -4.184 0.000) 4.184 6.940 ( 0.000 2.863 0.000) 2.863 7.057 ( 0.000 -0.952 0.000) 0.952 7.094 ( 0.000 -1.690 0.000) 1.690 7.251 ( 0.000 -4.535 0.000) 4.535 7.262 ( 0.000 -0.869 0.000) 0.869 7.481 ( 0.000 -2.262 0.000) 2.262 7.809 ( 0.000 0.564 0.000) 0.564 7.814 ( 0.000 3.703 0.000) 3.703 7.968 ( 0.000 -1.315 0.000) 1.315 7.979 ( 0.000 -3.230 0.000) 3.230 8.005 ( 0.000 -3.747 0.000) 3.747 8.155 ( 0.000 -3.183 0.000) 3.183 8.542 ( 0.000 -0.081 0.000) 0.081 8.799 ( 0.000 1.016 0.000) 1.016 8.808 ( 0.000 -0.812 0.000) 0.812 9.264 ( 0.000 2.165 0.000) 2.165 9.398 ( 0.000 1.079 0.000) 1.079 9.457 ( 0.000 0.828 0.000) 0.828 9.489 ( 0.000 0.898 0.000) 0.898 9.698 ( 0.000 1.540 0.000) 1.540 9.915 ( 0.000 0.753 0.000) 0.753 10.888 ( 0.000 1.541 0.000) 1.541 11.012 ( 0.000 3.512 0.000) 3.512 11.076 ( 0.000 1.364 0.000) 1.364 11.077 ( 0.000 0.426 0.000) 0.426 11.198 ( 0.000 -0.170 0.000) 0.170 11.311 ( 0.000 1.943 0.000) 1.943 11.524 ( 0.000 -4.121 0.000) 4.121 11.649 ( 0.000 -0.394 0.000) 0.394 11.681 ( 0.000 0.887 0.000) 0.887 11.920 ( 0.000 -0.208 0.000) 0.208 12.409 ( 0.000 5.699 0.000) 5.699 12.486 ( 0.000 2.632 0.000) 2.632 14.701 ( 0.000 -0.549 0.000) 0.549 15.021 ( 0.000 -2.007 0.000) 2.007 19.174 ( 0.000 -5.246 0.000) 5.246 19.352 ( 0.000 -4.726 0.000) 4.726 20.859 ( 0.000 7.881 0.000) 7.881 21.196 ( 0.000 -7.638 0.000) 7.638 21.199 ( 0.000 11.769 0.000) 11.769 21.624 ( 0.000 2.500 0.000) 2.500 21.639 ( 0.000 -9.526 0.000) 9.526 21.951 ( 0.000 0.982 0.000) 0.982 22.549 ( 0.000 -5.533 0.000) 5.533 23.217 ( 0.000 -1.707 0.000) 1.707 23.320 ( 0.000 6.397 0.000) 6.397 23.338 ( 0.000 6.155 0.000) 6.155 23.812 ( 0.000 6.859 0.000) 6.859 24.453 ( 0.000 0.453 0.000) 0.453 ======================= Grid point 29 (18/96) ======================= q-point: ( 0.17 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -1.827 -29.536 -4.756) 29.972 1.947 ( 2.121 -0.361 4.559) 5.042 2.134 ( 0.545 -5.709 2.309) 6.182 2.167 ( 3.797 -5.331 -5.761) 8.719 2.382 ( 1.757 12.241 2.953) 12.714 2.562 ( 5.032 -0.894 3.017) 5.934 2.577 ( 8.642 16.455 6.770) 19.781 2.795 ( -7.425 -1.913 2.705) 8.131 3.123 ( -3.854 -2.131 -6.400) 7.769 3.358 ( 3.256 10.511 -5.993) 12.530 3.430 ( 0.721 -1.352 4.204) 4.475 3.482 ( -1.302 3.145 -0.588) 3.454 3.567 ( 6.181 -6.800 -0.993) 9.243 3.662 ( 2.174 -11.631 -6.778) 13.636 3.761 ( -4.494 2.218 3.477) 6.100 3.902 ( -4.698 16.321 2.745) 17.204 4.092 ( -1.910 -3.129 1.392) 3.921 4.155 ( 2.274 0.115 7.949) 8.269 4.314 ( 0.168 -10.422 -2.250) 10.663 4.433 ( -4.761 -5.110 3.866) 7.983 4.483 ( -0.373 -7.424 -1.931) 7.680 4.571 ( -14.892 2.666 4.749) 15.857 4.641 ( 7.041 -0.164 1.527) 7.206 4.770 ( 3.117 -1.375 -1.611) 3.768 4.927 ( 2.191 -4.684 8.386) 9.852 5.118 ( -2.517 -2.203 1.177) 3.546 5.146 ( -12.749 -2.697 7.141) 14.860 5.262 ( -5.663 -10.948 -7.225) 14.288 5.434 ( -2.741 -4.419 -1.908) 5.539 5.512 ( -6.405 -5.404 1.154) 8.460 5.596 ( -4.807 -6.831 1.678) 8.520 5.619 ( 3.429 -1.915 -0.473) 3.956 5.624 ( -6.399 -2.770 -8.030) 10.635 5.825 ( -2.931 0.801 -3.336) 4.512 6.061 ( 19.274 1.817 2.550) 19.527 6.178 ( 1.734 3.496 -9.577) 10.342 6.254 ( 0.534 0.566 1.148) 1.387 6.486 ( 2.838 -7.593 4.034) 9.054 6.572 ( 8.624 0.213 -1.620) 8.777 6.625 ( 1.366 -7.031 -1.477) 7.313 6.804 ( 3.986 0.139 4.905) 6.322 6.871 ( -0.028 4.417 -1.854) 4.790 7.050 ( 5.024 -0.665 -2.221) 5.533 7.164 ( 10.403 -1.766 -6.564) 12.427 7.221 ( -1.974 -0.903 1.931) 2.905 7.359 ( -0.200 -1.371 -2.249) 2.641 7.438 ( 0.294 -2.800 0.681) 2.897 7.744 ( -1.239 0.955 -7.006) 7.178 7.820 ( -1.515 0.327 2.059) 2.577 7.936 ( -3.132 -2.209 -0.123) 3.835 7.945 ( -1.315 -0.188 -0.124) 1.334 8.032 ( 2.329 -3.934 -2.316) 5.125 8.210 ( 5.777 -1.738 0.472) 6.051 8.498 ( -7.719 -0.542 5.639) 9.575 8.739 ( -0.905 -0.315 -11.073) 11.114 8.849 ( 1.359 0.621 5.234) 5.443 9.241 ( -3.584 2.899 1.141) 4.749 9.356 ( 0.388 1.117 -7.644) 7.735 9.467 ( 1.451 0.672 -1.990) 2.553 9.468 ( 0.566 0.513 -1.828) 1.981 9.653 ( -7.544 1.500 9.742) 12.412 9.953 ( 1.778 -0.337 2.077) 2.755 10.722 ( -8.798 0.071 -1.869) 8.995 10.965 ( -6.106 1.455 0.989) 6.354 11.042 ( -0.667 -0.164 -0.342) 0.768 11.232 ( 7.975 3.858 4.579) 9.972 11.320 ( 0.357 1.515 -4.821) 5.066 11.347 ( 7.552 1.885 0.110) 7.784 11.456 ( -5.502 -2.510 -1.119) 6.150 11.568 ( 3.176 -2.184 -1.513) 4.141 11.800 ( 0.051 0.018 11.389) 11.389 11.894 ( -3.218 -0.943 3.177) 4.620 12.414 ( 0.938 4.984 -1.558) 5.306 12.464 ( -0.929 3.520 -2.696) 4.531 14.740 ( 3.273 -1.012 0.663) 3.489 14.907 ( -6.698 -0.934 -6.868) 9.639 19.288 ( 4.082 -3.312 2.923) 6.015 19.386 ( 5.374 -7.793 4.558) 10.506 20.843 ( -1.348 7.681 -0.401) 7.808 21.169 ( -0.675 8.905 -3.582) 9.622 21.185 ( -1.593 -6.811 0.893) 7.051 21.470 ( -7.639 -3.930 -2.760) 9.023 21.785 ( 7.679 1.381 6.759) 10.323 22.099 ( 13.960 -1.689 -4.382) 14.729 22.539 ( -3.965 -4.954 5.498) 8.396 23.095 ( -5.536 -0.069 -5.386) 7.724 23.352 ( 0.296 5.254 1.759) 5.549 23.430 ( 4.913 4.398 4.219) 7.828 23.815 ( 0.431 7.214 -0.157) 7.228 24.384 ( -4.802 1.544 -3.817) 6.326 ======================= Grid point 30 (19/96) ======================= q-point: ( 0.33 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 2.137 -29.551 -4.252) 29.932 1.975 ( -0.384 5.658 -0.489) 5.692 2.109 ( -3.966 -18.170 -1.714) 18.677 2.254 ( 5.668 -2.500 5.170) 8.069 2.440 ( -1.433 3.829 7.201) 8.281 2.625 ( 3.871 1.230 -5.491) 6.830 2.683 ( -6.139 -7.161 4.497) 10.449 2.887 ( 11.082 19.931 6.402) 23.686 3.047 ( 4.937 8.531 -10.149) 14.148 3.282 ( -3.871 10.961 -5.174) 12.724 3.423 ( -1.080 3.313 -1.203) 3.686 3.516 ( -3.186 -1.067 3.237) 4.666 3.636 ( 3.831 -8.004 -5.668) 10.529 3.687 ( 3.005 -7.113 -0.450) 7.735 3.702 ( 0.206 0.184 4.761) 4.769 3.818 ( -4.364 2.243 4.033) 6.352 3.981 ( -10.234 4.519 -1.584) 11.299 4.162 ( -6.986 -7.077 1.459) 10.051 4.312 ( 4.502 -8.592 -0.305) 9.704 4.386 ( -2.444 -3.380 2.834) 5.042 4.456 ( 2.845 -7.684 6.351) 10.367 4.610 ( 0.331 -0.336 5.258) 5.279 4.789 ( 3.407 -3.246 2.578) 5.366 4.913 ( -4.878 -1.134 -7.073) 8.666 5.001 ( 2.494 -0.425 9.678) 10.003 5.025 ( 3.014 1.917 15.197) 15.611 5.088 ( 1.780 -8.954 0.323) 9.135 5.184 ( -1.616 -5.646 -5.853) 8.291 5.306 ( -7.073 -11.401 4.354) 14.106 5.320 ( -9.825 0.180 -4.416) 10.773 5.448 ( -2.238 -0.548 -1.179) 2.589 5.583 ( 2.913 -4.349 -4.218) 6.722 5.662 ( 0.492 -1.195 4.749) 4.921 5.788 ( 0.327 1.312 -3.899) 4.126 6.142 ( -0.401 2.233 -3.952) 4.556 6.211 ( 0.878 -0.935 0.593) 1.413 6.370 ( 0.090 2.491 -1.809) 3.080 6.387 ( -5.241 -0.918 -5.019) 7.314 6.630 ( 10.331 0.987 -8.786) 13.597 6.694 ( 0.214 0.382 -7.304) 7.318 6.843 ( 1.641 -0.720 2.951) 3.452 6.925 ( 0.460 -3.688 -4.953) 6.192 7.143 ( 5.342 -2.247 2.757) 6.418 7.222 ( 1.584 1.803 0.670) 2.491 7.268 ( -2.145 1.411 1.609) 3.030 7.398 ( 13.830 1.366 -2.087) 14.053 7.481 ( 2.228 -7.513 0.197) 7.839 7.683 ( 2.931 -3.801 -8.793) 10.018 7.767 ( -7.659 -1.916 4.682) 9.179 7.905 ( -0.209 2.246 0.882) 2.422 7.941 ( 1.955 -0.225 -0.787) 2.120 8.041 ( -0.092 -2.862 -0.481) 2.904 8.335 ( 2.407 -0.221 -1.782) 3.003 8.374 ( -10.444 -2.630 14.101) 17.744 8.595 ( 1.135 -0.531 -16.715) 16.762 8.923 ( 0.466 1.027 5.635) 5.746 9.145 ( -5.293 3.032 -1.229) 6.223 9.328 ( 5.171 0.720 -7.881) 9.454 9.452 ( -3.190 0.990 1.708) 3.752 9.519 ( 5.265 0.942 0.304) 5.357 9.636 ( -3.857 0.910 8.157) 9.068 9.980 ( -0.869 -1.147 0.267) 1.464 10.588 ( -4.055 -2.030 -0.290) 4.544 10.899 ( -2.944 1.388 3.599) 4.853 10.996 ( -3.930 -1.146 0.472) 4.121 11.184 ( -5.562 0.201 -9.291) 10.831 11.246 ( -3.397 -0.235 -3.781) 5.089 11.422 ( 6.270 4.177 3.095) 8.145 11.543 ( 4.343 1.802 2.707) 5.426 11.660 ( 2.627 -1.961 1.918) 3.798 11.826 ( -2.432 0.697 1.746) 3.074 11.978 ( 3.062 -2.508 11.720) 12.370 12.388 ( -1.492 3.284 -3.911) 5.321 12.418 ( -0.363 4.743 -2.549) 5.397 14.688 ( -5.488 1.565 -6.041) 8.310 14.842 ( 3.491 -3.218 0.766) 4.809 19.295 ( -0.917 -0.705 -0.956) 1.501 19.623 ( 8.111 -10.610 7.066) 15.109 20.812 ( -1.282 7.104 -0.319) 7.226 21.126 ( 0.318 4.160 -3.836) 5.667 21.152 ( -3.149 -4.406 1.712) 5.680 21.344 ( -2.660 -1.885 -2.173) 3.918 22.027 ( 9.303 2.211 7.097) 11.908 22.306 ( 13.523 -2.533 -8.224) 16.029 22.504 ( -7.472 -3.687 9.284) 12.474 22.946 ( -4.647 -1.313 -4.645) 6.700 23.371 ( -0.211 3.717 1.695) 4.090 23.545 ( 3.394 4.315 2.697) 6.117 23.823 ( 0.485 7.846 -0.163) 7.863 24.237 ( -5.323 3.625 -4.203) 7.691 ======================= Grid point 31 (20/96) ======================= q-point: (-0.50 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 0.000 -28.767 0.000) 28.767 1.966 ( 0.000 10.022 0.000) 10.022 2.043 ( 0.000 -19.107 0.000) 19.107 2.370 ( 0.000 -1.011 0.000) 1.011 2.446 ( 0.000 -13.510 0.000) 13.510 2.603 ( -0.000 3.751 0.000) 3.751 2.668 ( 0.000 -8.572 -0.000) 8.572 3.003 ( 0.000 13.987 -0.000) 13.987 3.121 ( -0.000 24.856 0.000) 24.856 3.189 ( 0.000 11.258 0.000) 11.258 3.413 ( 0.000 7.822 -0.000) 7.822 3.455 ( -0.000 6.183 0.000) 6.183 3.661 ( -0.000 -0.554 0.000) 0.554 3.664 ( 0.000 -9.942 -0.000) 9.942 3.776 ( 0.000 -1.318 0.000) 1.318 3.835 ( -0.000 -5.380 0.000) 5.380 3.845 ( 0.000 2.128 -0.000) 2.128 4.072 ( -0.000 -15.358 0.000) 15.358 4.362 ( -0.000 -9.743 -0.000) 9.743 4.428 ( -0.000 -10.353 0.000) 10.353 4.546 ( 0.000 -16.944 0.000) 16.944 4.582 ( 0.000 1.233 0.000) 1.233 4.772 ( -0.000 -0.092 -0.000) 0.092 4.907 ( 0.000 -0.740 -0.000) 0.740 5.018 ( 0.000 -0.112 0.000) 0.112 5.053 ( -0.000 1.615 -0.000) 1.615 5.170 ( -0.000 -4.593 0.000) 4.593 5.176 ( 0.000 -3.905 0.000) 3.905 5.236 ( 0.000 -10.421 -0.000) 10.421 5.299 ( 0.000 0.193 0.000) 0.193 5.422 ( 0.000 3.004 -0.000) 3.004 5.608 ( 0.000 -3.344 -0.000) 3.344 5.694 ( 0.000 4.650 0.000) 4.650 5.822 ( 0.000 -4.205 0.000) 4.205 6.026 ( -0.000 7.671 -0.000) 7.671 6.225 ( -0.000 4.553 0.000) 4.553 6.292 ( -0.000 0.737 -0.000) 0.737 6.348 ( 0.000 -4.457 0.000) 4.457 6.554 ( 0.000 4.076 0.000) 4.076 6.814 ( -0.000 -0.364 -0.000) 0.364 6.826 ( 0.000 -4.335 0.000) 4.335 6.874 ( 0.000 -0.899 -0.000) 0.899 7.221 ( 0.000 -3.678 -0.000) 3.678 7.226 ( -0.000 1.376 0.000) 1.376 7.289 ( 0.000 2.563 0.000) 2.563 7.536 ( -0.000 -10.850 0.000) 10.850 7.541 ( 0.000 1.898 -0.000) 1.898 7.633 ( 0.000 -2.506 -0.000) 2.506 7.727 ( 0.000 -2.780 0.000) 2.780 7.907 ( 0.000 2.716 0.000) 2.716 7.989 ( 0.000 -0.245 -0.000) 0.245 8.017 ( 0.000 -2.513 0.000) 2.513 8.242 ( 0.000 -2.287 0.000) 2.287 8.461 ( 0.000 -1.967 -0.000) 1.967 8.483 ( 0.000 -0.340 0.000) 0.340 8.963 ( 0.000 1.005 0.000) 1.005 9.075 ( 0.000 2.875 0.000) 2.875 9.369 ( -0.000 0.554 0.000) 0.554 9.401 ( 0.000 1.031 -0.000) 1.031 9.598 ( -0.000 1.705 0.000) 1.705 9.642 ( 0.000 1.071 0.000) 1.071 9.952 ( 0.000 -1.330 0.000) 1.330 10.554 ( 0.000 -2.561 0.000) 2.561 10.889 ( 0.000 0.861 -0.000) 0.861 10.995 ( 0.000 1.272 0.000) 1.272 11.021 ( 0.000 -3.770 0.000) 3.770 11.205 ( 0.000 -0.091 0.000) 0.091 11.504 ( 0.000 4.486 0.000) 4.486 11.599 ( 0.000 2.253 0.000) 2.253 11.685 ( -0.000 -1.586 0.000) 1.586 11.810 ( 0.000 0.541 0.000) 0.541 12.094 ( 0.000 -1.754 0.000) 1.754 12.335 ( 0.000 3.014 0.000) 3.014 12.398 ( 0.000 4.049 -0.000) 4.049 14.599 ( 0.000 2.062 0.000) 2.062 14.886 ( 0.000 -3.836 0.000) 3.836 19.277 ( 0.000 0.081 0.000) 0.081 19.741 ( 0.000 -10.754 0.000) 10.754 20.797 ( 0.000 6.749 -0.000) 6.749 21.115 ( 0.000 7.758 -0.000) 7.758 21.120 ( -0.000 -8.931 0.000) 8.931 21.314 ( 0.000 -0.719 0.000) 0.719 22.180 ( 0.000 1.391 0.000) 1.391 22.417 ( 0.000 -0.031 -0.000) 0.031 22.449 ( -0.000 -4.572 0.000) 4.572 22.868 ( 0.000 -2.641 0.000) 2.641 23.377 ( 0.000 3.062 0.000) 3.062 23.594 ( -0.000 4.243 -0.000) 4.243 23.827 ( 0.000 8.119 0.000) 8.119 24.156 ( 0.000 4.677 0.000) 4.677 ======================= Grid point 35 (21/96) ======================= q-point: ( 0.00 -0.50 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 0.000 0.000 0.000) 0.000 1.890 ( 0.000 0.000 0.000) 0.000 1.994 ( 0.000 0.000 0.000) 0.000 2.080 ( 0.000 0.000 0.000) 0.000 2.450 ( 0.000 0.000 0.000) 0.000 2.533 ( 0.000 0.000 0.000) 0.000 2.771 ( 0.000 -0.000 0.000) 0.000 2.857 ( 0.000 0.000 0.000) 0.000 3.193 ( 0.000 0.000 0.000) 0.000 3.320 ( 0.000 0.000 0.000) 0.000 3.387 ( 0.000 0.000 0.000) 0.000 3.461 ( 0.000 0.000 0.000) 0.000 3.535 ( 0.000 0.000 0.000) 0.000 3.600 ( 0.000 0.000 0.000) 0.000 3.796 ( 0.000 0.000 0.000) 0.000 3.984 ( 0.000 0.000 0.000) 0.000 4.107 ( 0.000 0.000 0.000) 0.000 4.244 ( 0.000 -0.000 0.000) 0.000 4.299 ( 0.000 0.000 0.000) 0.000 4.333 ( 0.000 0.000 0.000) 0.000 4.420 ( 0.000 -0.000 0.000) 0.000 4.531 ( 0.000 0.000 0.000) 0.000 4.571 ( 0.000 0.000 0.000) 0.000 4.829 ( 0.000 0.000 0.000) 0.000 4.957 ( 0.000 0.000 0.000) 0.000 5.068 ( 0.000 0.000 0.000) 0.000 5.189 ( 0.000 0.000 0.000) 0.000 5.297 ( 0.000 0.000 0.000) 0.000 5.324 ( 0.000 0.000 0.000) 0.000 5.496 ( 0.000 0.000 0.000) 0.000 5.537 ( 0.000 0.000 0.000) 0.000 5.633 ( 0.000 0.000 0.000) 0.000 5.798 ( 0.000 0.000 0.000) 0.000 5.806 ( 0.000 0.000 0.000) 0.000 5.935 ( 0.000 0.000 0.000) 0.000 6.115 ( 0.000 0.000 0.000) 0.000 6.226 ( 0.000 0.000 0.000) 0.000 6.372 ( 0.000 0.000 0.000) 0.000 6.517 ( 0.000 0.000 0.000) 0.000 6.519 ( 0.000 0.000 0.000) 0.000 6.716 ( 0.000 0.000 0.000) 0.000 6.979 ( 0.000 0.000 0.000) 0.000 7.031 ( 0.000 0.000 0.000) 0.000 7.055 ( 0.000 0.000 0.000) 0.000 7.213 ( 0.000 0.000 0.000) 0.000 7.250 ( 0.000 0.000 0.000) 0.000 7.463 ( 0.000 0.000 0.000) 0.000 7.811 ( 0.000 0.000 0.000) 0.000 7.874 ( 0.000 0.000 0.000) 0.000 7.928 ( 0.000 0.000 0.000) 0.000 7.949 ( 0.000 0.000 0.000) 0.000 7.973 ( 0.000 0.000 0.000) 0.000 8.127 ( 0.000 0.000 0.000) 0.000 8.543 ( 0.000 0.000 0.000) 0.000 8.800 ( 0.000 0.000 0.000) 0.000 8.810 ( 0.000 0.000 0.000) 0.000 9.285 ( 0.000 0.000 0.000) 0.000 9.410 ( 0.000 0.000 0.000) 0.000 9.464 ( 0.000 0.000 0.000) 0.000 9.498 ( 0.000 0.000 0.000) 0.000 9.713 ( 0.000 0.000 0.000) 0.000 9.922 ( 0.000 0.000 0.000) 0.000 10.904 ( 0.000 0.000 0.000) 0.000 11.043 ( 0.000 0.000 0.000) 0.000 11.081 ( 0.000 0.000 0.000) 0.000 11.090 ( 0.000 0.000 0.000) 0.000 11.201 ( 0.000 0.000 0.000) 0.000 11.339 ( 0.000 0.000 0.000) 0.000 11.471 ( 0.000 0.000 0.000) 0.000 11.644 ( 0.000 0.000 0.000) 0.000 11.691 ( 0.000 0.000 0.000) 0.000 11.917 ( 0.000 0.000 0.000) 0.000 12.478 ( 0.000 0.000 0.000) 0.000 12.499 ( 0.000 -0.000 0.000) 0.000 14.698 ( 0.000 0.000 0.000) 0.000 15.000 ( 0.000 0.000 0.000) 0.000 19.124 ( 0.000 0.000 0.000) 0.000 19.306 ( 0.000 0.000 0.000) 0.000 20.981 ( 0.000 0.000 0.000) 0.000 21.075 ( 0.000 -0.000 0.000) 0.000 21.387 ( 0.000 0.000 0.000) 0.000 21.474 ( 0.000 0.000 0.000) 0.000 21.648 ( 0.000 0.000 0.000) 0.000 21.960 ( 0.000 0.000 0.000) 0.000 22.494 ( 0.000 0.000 0.000) 0.000 23.200 ( 0.000 0.000 0.000) 0.000 23.383 ( 0.000 0.000 0.000) 0.000 23.398 ( 0.000 0.000 0.000) 0.000 23.880 ( 0.000 0.000 0.000) 0.000 24.457 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 37 (22/96) ======================= q-point: ( 0.17 -0.50 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -1.353 0.000 -5.021) 5.200 1.915 ( 1.303 0.000 4.006) 4.213 1.989 ( -0.645 0.000 -1.712) 1.829 2.142 ( 3.651 0.000 1.604) 3.987 2.559 ( 1.704 0.000 0.500) 1.776 2.583 ( 1.473 0.000 4.863) 5.081 2.761 ( 2.195 0.000 11.023) 11.239 2.788 ( -7.067 -0.000 2.358) 7.450 3.141 ( 7.382 0.000 -10.241) 12.624 3.377 ( -0.886 0.000 0.259) 0.923 3.422 ( 4.286 0.000 -7.432) 8.579 3.462 ( 2.425 -0.000 -6.925) 7.337 3.463 ( 2.078 0.000 4.179) 4.667 3.667 ( 3.475 0.000 -8.102) 8.816 3.793 ( -4.853 0.000 5.920) 7.655 4.014 ( -7.722 0.000 -1.962) 7.967 4.068 ( 6.237 0.000 3.548) 7.175 4.197 ( -8.352 0.000 0.986) 8.410 4.243 ( 0.349 0.000 0.108) 0.365 4.399 ( -12.276 0.000 0.638) 12.293 4.462 ( -9.081 -0.000 5.185) 10.456 4.527 ( 6.507 -0.000 17.663) 18.824 4.647 ( 8.352 0.000 -1.975) 8.582 4.764 ( 6.626 0.000 -2.026) 6.929 4.871 ( -4.320 0.000 10.232) 11.107 5.033 ( -1.196 0.000 -0.183) 1.210 5.077 ( -11.746 -0.000 8.969) 14.779 5.167 ( -2.176 0.000 -4.820) 5.288 5.353 ( -17.369 0.000 -7.694) 18.997 5.461 ( -2.522 0.000 1.713) 3.049 5.549 ( -0.767 0.000 3.457) 3.541 5.605 ( -11.829 0.000 -7.961) 14.258 5.614 ( 7.596 0.000 -4.251) 8.705 5.836 ( -2.004 0.000 -4.324) 4.766 6.058 ( 17.395 0.000 -3.400) 17.725 6.233 ( 1.423 0.000 2.065) 2.508 6.289 ( 3.906 0.000 -0.374) 3.924 6.381 ( 4.422 0.000 4.553) 6.347 6.551 ( 3.957 0.000 -5.088) 6.445 6.575 ( 8.153 0.000 -1.694) 8.327 6.809 ( -1.331 0.000 1.021) 1.677 6.945 ( 1.805 0.000 3.478) 3.918 7.030 ( 6.007 0.000 -3.313) 6.860 7.120 ( 9.840 0.000 -7.932) 12.639 7.208 ( -1.101 0.000 3.004) 3.200 7.355 ( 5.609 0.000 -2.124) 5.998 7.413 ( -3.920 -0.000 0.185) 3.924 7.752 ( -3.164 0.000 -5.708) 6.526 7.826 ( -3.705 0.000 0.954) 3.826 7.921 ( -1.168 0.000 -0.895) 1.472 7.939 ( 0.809 0.000 -0.535) 0.970 7.998 ( 2.691 0.000 -2.401) 3.607 8.192 ( 5.612 0.000 2.052) 5.976 8.495 ( -8.163 0.000 5.502) 9.844 8.736 ( -0.896 0.000 -11.016) 11.053 8.856 ( 1.183 0.000 5.674) 5.796 9.269 ( -3.273 0.000 1.365) 3.546 9.368 ( 0.544 0.000 -8.082) 8.100 9.472 ( 0.532 0.000 -2.631) 2.685 9.473 ( 1.622 0.000 -1.660) 2.321 9.668 ( -8.634 0.000 11.128) 14.085 9.949 ( 1.740 0.000 0.815) 1.922 10.722 ( -9.611 0.000 -2.779) 10.005 10.979 ( -6.706 0.000 1.215) 6.815 11.041 ( -1.239 0.000 0.395) 1.301 11.267 ( 9.375 0.000 4.569) 10.430 11.345 ( 2.832 0.000 -4.743) 5.524 11.392 ( -5.369 0.000 -3.436) 6.374 11.397 ( 7.109 -0.000 3.355) 7.861 11.546 ( 0.958 0.000 -2.902) 3.056 11.800 ( -0.160 0.000 12.877) 12.878 11.884 ( -3.762 0.000 1.838) 4.187 12.467 ( -0.265 0.000 -2.067) 2.084 12.495 ( 0.307 0.000 -2.083) 2.105 14.731 ( 3.091 0.000 0.442) 3.123 14.896 ( -6.175 0.000 -6.612) 9.047 19.262 ( 9.281 0.000 7.078) 11.673 19.306 ( -0.113 0.000 -0.236) 0.262 20.965 ( -1.624 0.000 0.072) 1.625 21.055 ( -1.827 0.000 -0.495) 1.893 21.324 ( -1.977 0.000 -3.030) 3.618 21.380 ( -6.043 0.000 -2.964) 6.731 21.799 ( 8.859 0.000 7.554) 11.642 22.079 ( 13.304 0.000 -6.263) 14.704 22.489 ( -4.286 0.000 7.327) 8.488 23.091 ( -5.715 0.000 -5.240) 7.754 23.404 ( -0.017 0.000 1.016) 1.016 23.476 ( 4.749 0.000 3.906) 6.149 23.887 ( 0.599 0.000 0.102) 0.607 24.399 ( -4.097 0.000 -3.295) 5.257 ======================= Grid point 39 (23/96) ======================= q-point: ( 0.33 -0.50 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 3.067 0.000 -4.695) 5.608 1.917 ( -4.685 -0.000 -1.597) 4.949 2.011 ( 3.162 0.000 4.600) 5.582 2.225 ( 5.228 0.000 -1.182) 5.360 2.466 ( -11.765 0.000 7.366) 13.880 2.572 ( -1.142 -0.000 1.142) 1.615 2.690 ( -4.624 0.000 1.010) 4.733 3.104 ( 11.977 0.000 1.769) 12.107 3.290 ( 16.428 -0.000 0.092) 16.428 3.367 ( -1.034 0.000 -4.584) 4.699 3.442 ( 7.472 0.000 -7.540) 10.615 3.464 ( 2.831 0.000 -5.254) 5.968 3.527 ( 0.650 0.000 1.817) 1.930 3.588 ( 0.418 0.000 -2.714) 2.746 3.720 ( -7.786 0.000 7.978) 11.148 3.843 ( -5.388 0.000 -2.767) 6.057 4.057 ( -5.462 0.000 -0.411) 5.477 4.102 ( -15.659 0.000 -1.665) 15.748 4.188 ( 2.515 0.000 -4.291) 4.974 4.335 ( 2.930 0.000 10.318) 10.726 4.360 ( -7.810 -0.000 8.237) 11.351 4.638 ( -8.387 0.000 -0.508) 8.402 4.781 ( 3.279 0.000 12.508) 12.930 4.888 ( -4.701 0.000 -3.145) 5.656 4.966 ( 1.892 -0.000 -1.732) 2.565 5.006 ( 3.369 0.000 -1.787) 3.813 5.056 ( 1.154 0.000 14.353) 14.399 5.136 ( 2.394 0.000 -3.198) 3.995 5.169 ( 2.320 -0.000 9.936) 10.203 5.323 ( -9.913 0.000 -4.714) 10.977 5.424 ( 0.604 0.000 0.812) 1.012 5.531 ( 0.941 0.000 -1.492) 1.764 5.660 ( 1.201 0.000 1.824) 2.184 5.803 ( 0.529 0.000 -4.337) 4.370 6.158 ( 2.537 0.000 -1.307) 2.854 6.196 ( -1.638 0.000 -0.668) 1.769 6.374 ( -3.747 0.000 -0.154) 3.750 6.408 ( -1.029 0.000 -7.606) 7.675 6.640 ( 10.136 0.000 -7.382) 12.539 6.732 ( 5.359 -0.000 -5.360) 7.579 6.772 ( 5.804 0.000 -1.702) 6.048 6.917 ( -6.988 0.000 -8.587) 11.072 7.113 ( 3.848 -0.000 7.846) 8.739 7.239 ( 8.288 0.000 -1.387) 8.403 7.340 ( 1.371 0.000 3.563) 3.818 7.341 ( -3.377 -0.000 -1.392) 3.652 7.425 ( 11.181 0.000 -1.762) 11.319 7.644 ( 0.184 0.000 -9.269) 9.271 7.749 ( -6.532 0.000 4.118) 7.721 7.931 ( 4.015 0.000 -2.439) 4.698 7.941 ( -0.640 -0.000 0.996) 1.184 8.018 ( 0.092 0.000 0.465) 0.474 8.333 ( 3.966 0.000 -2.194) 4.532 8.348 ( -13.171 0.000 15.577) 20.399 8.589 ( 1.009 0.000 -16.982) 17.012 8.933 ( 0.244 0.000 6.346) 6.351 9.174 ( -5.181 0.000 -1.822) 5.492 9.335 ( 5.322 0.000 -8.646) 10.153 9.462 ( -3.604 0.000 2.386) 4.322 9.528 ( 5.960 0.000 0.243) 5.965 9.647 ( -4.445 0.000 9.532) 10.518 9.967 ( -0.510 0.000 -0.973) 1.099 10.568 ( -4.608 0.000 -0.483) 4.633 10.916 ( -2.361 0.000 4.620) 5.188 10.981 ( -5.557 0.000 -0.118) 5.558 11.184 ( -6.291 0.000 -10.021) 11.832 11.244 ( -2.959 0.000 -3.806) 4.821 11.473 ( 5.742 0.000 4.172) 7.097 11.553 ( 5.897 -0.000 0.292) 5.904 11.640 ( 2.586 0.000 3.702) 4.515 11.835 ( -2.953 0.000 1.836) 3.478 11.950 ( 3.373 0.000 12.016) 12.480 12.420 ( -1.598 0.000 -3.996) 4.304 12.465 ( -0.728 0.000 -2.706) 2.802 14.711 ( -5.255 0.000 -6.014) 7.986 14.803 ( 3.337 0.000 0.610) 3.392 19.293 ( -0.675 0.000 -0.602) 0.905 19.516 ( 8.333 0.000 6.516) 10.578 20.931 ( -1.857 0.000 0.283) 1.879 21.007 ( -1.947 0.000 -0.917) 2.152 21.254 ( -3.335 0.000 -3.137) 4.579 21.293 ( 0.250 0.000 -0.895) 0.929 22.052 ( 8.688 0.000 7.593) 11.538 22.270 ( 15.262 0.000 -11.735) 19.252 22.470 ( -8.349 0.000 12.757) 15.246 22.931 ( -5.336 0.000 -5.043) 7.342 23.411 ( -0.384 0.000 0.960) 1.034 23.589 ( 3.343 0.000 2.603) 4.237 23.901 ( 0.603 0.000 0.080) 0.608 24.272 ( -4.619 0.000 -3.682) 5.907 ======================= Grid point 41 (24/96) ======================= q-point: (-0.50 -0.50 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 0.000 0.000 0.000) 0.000 1.847 ( 0.000 0.000 0.000) 0.000 2.069 ( 0.000 0.000 0.000) 0.000 2.289 ( -0.000 0.000 0.000) 0.000 2.379 ( 0.000 0.000 0.000) 0.000 2.565 ( -0.000 0.000 0.000) 0.000 2.642 ( 0.000 0.000 -0.000) 0.000 3.171 ( 0.000 0.000 -0.000) 0.000 3.300 ( 0.000 0.000 0.000) 0.000 3.461 ( -0.000 0.000 0.000) 0.000 3.494 ( 0.000 0.000 -0.000) 0.000 3.522 ( -0.000 0.000 0.000) 0.000 3.652 ( 0.000 -0.003 0.000) 0.003 3.652 ( 0.000 0.003 0.000) 0.003 3.704 ( 0.000 -0.000 -0.000) 0.000 3.756 ( 0.000 0.000 0.000) 0.000 3.786 ( -0.000 0.000 0.000) 0.000 3.998 ( -0.000 0.000 0.000) 0.000 4.220 ( 0.000 0.000 0.000) 0.000 4.318 ( 0.000 0.000 0.000) 0.000 4.336 ( 0.000 0.000 0.000) 0.000 4.602 ( 0.000 0.000 0.000) 0.000 4.767 ( -0.000 0.000 -0.000) 0.000 4.897 ( 0.000 0.000 -0.000) 0.000 4.970 ( 0.000 0.000 0.000) 0.000 5.094 ( 0.000 0.000 0.000) 0.000 5.105 ( -0.000 -0.000 0.000) 0.000 5.108 ( 0.000 0.000 -0.000) 0.000 5.172 ( 0.000 -0.000 0.000) 0.000 5.312 ( 0.000 0.000 0.000) 0.000 5.456 ( 0.000 0.000 0.000) 0.000 5.566 ( 0.000 0.000 0.000) 0.000 5.743 ( 0.000 0.000 0.000) 0.000 5.779 ( 0.000 0.000 0.000) 0.000 6.131 ( -0.000 0.000 0.000) 0.000 6.272 ( 0.000 0.000 0.000) 0.000 6.279 ( -0.000 -0.000 -0.000) 0.000 6.288 ( 0.000 0.000 -0.000) 0.000 6.618 ( 0.000 -0.000 0.000) 0.000 6.748 ( 0.000 0.000 0.000) 0.000 6.803 ( 0.000 0.000 -0.000) 0.000 6.873 ( 0.000 0.000 0.000) 0.000 7.188 ( 0.000 0.000 0.000) 0.000 7.305 ( -0.000 0.000 0.000) 0.000 7.316 ( -0.000 -0.000 0.000) 0.000 7.358 ( 0.000 -0.000 0.000) 0.000 7.579 ( 0.000 -0.000 0.000) 0.000 7.590 ( 0.000 0.000 0.000) 0.000 7.703 ( 0.000 0.000 0.000) 0.000 7.939 ( 0.000 0.000 0.000) 0.000 7.992 ( 0.000 -0.000 -0.000) 0.000 7.996 ( -0.000 0.000 0.000) 0.000 8.219 ( 0.000 0.000 -0.000) 0.000 8.443 ( 0.000 0.000 -0.000) 0.000 8.479 ( 0.000 0.000 0.000) 0.000 8.972 ( 0.000 0.000 0.000) 0.000 9.103 ( 0.000 0.000 0.000) 0.000 9.375 ( -0.000 0.000 0.000) 0.000 9.410 ( 0.000 0.000 -0.000) 0.000 9.615 ( -0.000 0.000 0.000) 0.000 9.657 ( 0.000 0.000 0.000) 0.000 9.936 ( 0.000 0.000 0.000) 0.000 10.530 ( 0.000 0.000 0.000) 0.000 10.903 ( 0.000 0.000 0.000) 0.000 10.977 ( -0.000 0.000 -0.000) 0.000 11.008 ( 0.000 0.000 0.000) 0.000 11.205 ( 0.000 0.000 0.000) 0.000 11.551 ( 0.000 0.000 0.000) 0.000 11.619 ( 0.000 0.000 -0.000) 0.000 11.669 ( -0.000 0.000 0.000) 0.000 11.816 ( 0.000 0.000 0.000) 0.000 12.073 ( 0.000 0.000 0.000) 0.000 12.365 ( 0.000 0.000 0.000) 0.000 12.439 ( 0.000 0.000 0.000) 0.000 14.627 ( 0.000 0.000 0.000) 0.000 14.842 ( 0.000 0.000 0.000) 0.000 19.281 ( 0.000 0.000 0.000) 0.000 19.635 ( 0.000 0.000 0.000) 0.000 20.913 ( 0.000 0.000 0.000) 0.000 20.982 ( 0.000 -0.000 0.000) 0.000 21.207 ( 0.000 0.000 0.000) 0.000 21.294 ( 0.000 0.000 0.000) 0.000 22.193 ( 0.000 0.000 0.000) 0.000 22.399 ( 0.000 0.000 -0.000) 0.000 22.416 ( -0.000 0.000 0.000) 0.000 22.840 ( 0.000 0.000 0.000) 0.000 23.411 ( 0.000 0.000 0.000) 0.000 23.636 ( -0.000 0.000 0.000) 0.000 23.907 ( 0.000 0.000 0.000) 0.000 24.201 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 77 (25/96) ======================= q-point: ( 0.00 0.00 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 2.948 0.000 34.471) 34.597 0.884 ( 3.597 0.000 39.948) 40.110 1.113 ( 4.793 0.000 48.505) 48.741 1.875 ( 8.522 0.000 10.049) 13.175 2.712 ( -7.942 0.000 -18.103) 19.768 3.089 ( -3.119 0.000 -1.627) 3.518 3.235 ( -8.952 0.000 -3.426) 9.585 3.408 ( 2.292 0.000 -10.733) 10.975 3.410 ( 7.821 0.000 -3.826) 8.706 3.454 ( -0.898 0.000 0.993) 1.339 3.591 ( 2.911 0.000 -1.428) 3.243 3.768 ( -11.480 0.000 -13.549) 17.759 4.016 ( -2.227 0.000 8.906) 9.180 4.094 ( 0.982 0.000 -0.163) 0.995 4.184 ( -2.562 0.000 6.435) 6.927 4.228 ( 0.905 0.000 -0.226) 0.933 4.433 ( 0.954 0.000 -3.237) 3.375 4.477 ( 1.614 0.000 -7.740) 7.906 4.598 ( 1.125 0.000 3.918) 4.076 4.712 ( 0.711 0.000 3.637) 3.706 4.725 ( -0.680 0.000 -3.878) 3.937 4.819 ( -4.712 0.000 -0.028) 4.712 4.954 ( 11.259 0.000 3.151) 11.691 5.080 ( -2.355 0.000 -4.211) 4.825 5.121 ( 3.908 0.000 2.180) 4.474 5.190 ( 0.845 0.000 -0.416) 0.941 5.280 ( -2.835 0.000 6.517) 7.107 5.437 ( 0.141 0.000 -2.590) 2.594 5.451 ( -5.464 0.000 8.141) 9.805 5.495 ( 5.513 0.000 0.126) 5.515 5.597 ( 1.817 0.000 -6.051) 6.318 5.686 ( 1.413 0.000 -3.111) 3.417 5.749 ( 0.161 0.000 -0.802) 0.818 5.755 ( -3.889 0.000 1.863) 4.312 5.910 ( -2.617 0.000 -1.194) 2.877 6.117 ( -2.326 0.000 1.771) 2.923 6.128 ( -12.050 0.000 -8.307) 14.636 6.260 ( 7.257 0.000 -3.950) 8.263 6.387 ( 4.334 0.000 -2.563) 5.036 6.727 ( 11.850 0.000 -1.338) 11.926 6.760 ( 5.619 0.000 -4.953) 7.490 6.878 ( 0.641 0.000 0.928) 1.128 6.985 ( -0.295 0.000 6.422) 6.428 7.125 ( 4.000 0.000 -5.905) 7.132 7.358 ( -9.075 0.000 0.947) 9.125 7.562 ( -9.126 0.000 4.280) 10.080 7.659 ( -4.302 0.000 2.346) 4.900 7.837 ( 22.542 0.000 6.256) 23.394 7.900 ( 0.633 0.000 -3.927) 3.978 7.913 ( 1.390 0.000 5.146) 5.330 8.098 ( -0.367 0.000 2.087) 2.119 8.305 ( -4.903 0.000 3.212) 5.862 8.351 ( 3.290 0.000 -4.256) 5.379 8.616 ( 6.300 0.000 -1.369) 6.447 8.789 ( -3.270 0.000 -7.557) 8.234 8.912 ( -2.422 0.000 -1.821) 3.030 9.144 ( -6.871 0.000 -14.244) 15.815 9.269 ( 2.796 0.000 -12.809) 13.111 9.502 ( -6.234 0.000 6.780) 9.210 9.694 ( -8.757 0.000 10.539) 13.702 9.827 ( 6.233 0.000 6.243) 8.822 9.933 ( -1.353 0.000 8.739) 8.843 10.699 ( 0.742 0.000 1.525) 1.696 10.822 ( 1.627 0.000 1.066) 1.945 10.903 ( -3.568 0.000 5.521) 6.574 11.117 ( -3.410 0.000 1.162) 3.603 11.117 ( -1.793 0.000 0.956) 2.032 11.382 ( 1.294 0.000 -4.092) 4.291 11.474 ( 0.228 0.000 0.734) 0.768 11.669 ( 2.508 0.000 -2.180) 3.323 11.837 ( 3.826 0.000 1.905) 4.274 12.026 ( -4.086 0.000 0.862) 4.175 12.069 ( 2.475 0.000 -3.613) 4.380 12.162 ( 13.916 0.000 -1.326) 13.979 14.689 ( 2.010 0.000 0.875) 2.192 14.899 ( -2.295 0.000 -3.135) 3.885 19.928 ( -8.814 0.000 -0.484) 8.827 20.045 ( 33.478 0.000 -4.883) 33.833 20.753 ( -6.544 0.000 10.342) 12.238 21.124 ( 1.866 0.000 -0.363) 1.901 21.313 ( 13.768 0.000 1.828) 13.889 21.805 ( 5.187 0.000 -8.085) 9.606 21.908 ( 3.168 0.000 0.842) 3.278 22.012 ( -3.315 0.000 -1.034) 3.473 22.631 ( 8.334 0.000 0.001) 8.334 22.669 ( -5.235 0.000 -2.575) 5.834 23.016 ( 4.693 0.000 9.053) 10.197 23.311 ( 2.149 0.000 0.038) 2.149 23.468 ( 1.622 0.000 0.140) 1.628 23.681 ( -29.151 0.000 -3.726) 29.388 ======================= Grid point 78 (26/96) ======================= q-point: ( 0.17 0.00 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 4.204 0.000 29.076) 29.378 1.293 ( 16.941 0.000 30.722) 35.084 2.244 ( 14.014 0.000 13.910) 19.745 2.285 ( 45.553 0.000 37.000) 58.686 2.438 ( 0.345 0.000 -17.943) 17.946 2.752 ( -18.054 0.000 -30.382) 35.341 2.882 ( -10.862 0.000 -6.952) 12.896 3.027 ( -21.475 0.000 -12.363) 24.779 3.282 ( -15.312 0.000 6.391) 16.592 3.622 ( 2.987 0.000 5.737) 6.468 3.635 ( 11.573 0.000 -0.026) 11.574 3.856 ( 14.369 0.000 -3.578) 14.808 3.989 ( -4.601 0.000 4.486) 6.426 4.119 ( -4.549 0.000 -3.655) 5.836 4.278 ( 2.660 0.000 3.836) 4.668 4.319 ( -0.186 0.000 7.275) 7.278 4.399 ( 4.295 0.000 2.326) 4.884 4.420 ( 2.325 0.000 -3.438) 4.150 4.553 ( -7.045 0.000 -10.270) 12.454 4.642 ( 2.226 0.000 -2.806) 3.582 4.772 ( -2.121 0.000 4.608) 5.073 4.835 ( 6.340 0.000 1.611) 6.541 4.989 ( -1.338 0.000 -5.543) 5.702 5.066 ( 3.435 0.000 0.054) 3.435 5.210 ( -2.291 0.000 -0.312) 2.312 5.219 ( 3.098 0.000 -2.555) 4.016 5.250 ( -1.921 0.000 -2.722) 3.332 5.324 ( -8.889 0.000 -3.533) 9.565 5.407 ( -5.821 0.000 9.688) 11.302 5.575 ( -7.461 0.000 0.788) 7.503 5.637 ( 5.204 0.000 4.664) 6.989 5.645 ( 5.206 0.000 0.352) 5.218 5.714 ( 1.868 0.000 -3.937) 4.358 5.743 ( -4.123 0.000 1.631) 4.434 5.853 ( -10.785 0.000 1.049) 10.836 5.971 ( 11.846 0.000 -0.284) 11.849 5.997 ( -11.964 0.000 3.894) 12.581 6.397 ( -0.127 0.000 -6.839) 6.840 6.462 ( 3.877 0.000 -3.234) 5.049 6.535 ( -14.828 0.000 -6.607) 16.233 6.676 ( -8.881 0.000 -12.324) 15.191 6.847 ( 5.372 0.000 -1.637) 5.616 7.019 ( 1.555 0.000 1.941) 2.487 7.194 ( 5.662 0.000 -0.475) 5.682 7.387 ( 4.111 0.000 8.530) 9.469 7.520 ( -1.397 0.000 7.667) 7.794 7.596 ( -5.109 0.000 4.089) 6.544 7.763 ( -5.418 0.000 -5.818) 7.950 7.941 ( -3.911 0.000 1.939) 4.365 8.111 ( 4.510 0.000 1.756) 4.839 8.266 ( 15.635 0.000 -9.008) 18.044 8.308 ( -0.101 0.000 7.558) 7.559 8.436 ( 6.144 0.000 -2.386) 6.591 8.707 ( -0.883 0.000 -6.343) 6.404 8.765 ( 4.819 0.000 -0.058) 4.819 8.839 ( -2.846 0.000 0.176) 2.851 9.009 ( 10.918 0.000 -9.859) 14.711 9.235 ( 4.383 0.000 -9.673) 10.620 9.423 ( -6.471 0.000 4.142) 7.683 9.576 ( -13.991 0.000 13.221) 19.250 9.940 ( -5.383 0.000 4.255) 6.861 9.983 ( 4.238 0.000 2.446) 4.893 10.726 ( -0.274 0.000 2.032) 2.050 10.835 ( -0.533 0.000 -0.691) 0.873 10.929 ( 0.482 0.000 4.896) 4.919 11.085 ( -1.529 0.000 0.012) 1.529 11.135 ( 1.344 0.000 2.528) 2.863 11.340 ( -1.910 0.000 -1.420) 2.380 11.467 ( -1.862 0.000 1.077) 2.151 11.714 ( 3.717 0.000 -2.943) 4.741 11.933 ( -2.405 0.000 1.895) 3.062 11.969 ( 4.519 0.000 -0.151) 4.522 12.027 ( -0.275 0.000 -5.173) 5.181 12.226 ( -1.235 0.000 -1.024) 1.604 14.789 ( 6.042 0.000 2.747) 6.637 14.847 ( 0.402 0.000 -4.711) 4.728 19.666 ( -13.886 0.000 -5.374) 14.889 20.366 ( 10.416 0.000 -7.287) 12.712 20.739 ( -5.164 0.000 10.435) 11.643 21.174 ( 3.247 0.000 0.605) 3.303 21.280 ( -11.793 0.000 1.641) 11.906 21.742 ( -4.142 0.000 -5.972) 7.268 21.944 ( 0.080 0.000 -5.206) 5.207 22.025 ( 6.700 0.000 0.799) 6.748 22.567 ( -3.141 0.000 -0.795) 3.240 22.753 ( 2.838 0.000 -2.240) 3.615 23.162 ( 1.543 0.000 5.529) 5.740 23.357 ( -4.960 0.000 1.937) 5.325 23.402 ( 5.832 0.000 -4.086) 7.120 23.556 ( 5.107 0.000 4.276) 6.661 ======================= Grid point 79 (27/96) ======================= q-point: ( 0.33 0.00 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 20.651 0.000 13.569) 24.710 1.927 ( 19.197 0.000 25.702) 32.080 2.156 ( -5.176 0.000 -21.347) 21.966 2.312 ( 5.768 0.000 -15.539) 16.575 2.429 ( -21.992 0.000 -12.275) 25.185 2.545 ( -15.818 0.000 -7.039) 17.314 2.687 ( 6.462 0.000 3.613) 7.404 3.048 ( -10.977 0.000 5.922) 12.473 3.428 ( 30.774 0.000 14.619) 34.070 3.721 ( 3.374 0.000 -1.197) 3.580 3.867 ( 8.548 0.000 10.071) 13.210 3.957 ( -4.924 0.000 -5.108) 7.095 3.977 ( 2.008 0.000 9.692) 9.898 4.051 ( 10.177 0.000 -6.009) 11.819 4.142 ( -6.930 0.000 -6.504) 9.504 4.327 ( 4.722 0.000 4.283) 6.375 4.402 ( -2.526 0.000 -6.641) 7.105 4.482 ( -6.904 0.000 -3.261) 7.636 4.491 ( -6.760 0.000 -3.362) 7.550 4.673 ( 5.538 0.000 -0.830) 5.600 4.757 ( -6.206 0.000 0.586) 6.233 4.903 ( -6.569 0.000 -0.278) 6.575 4.920 ( -0.400 0.000 3.090) 3.116 5.026 ( -3.361 0.000 -2.763) 4.351 5.104 ( 1.884 0.000 -2.961) 3.509 5.198 ( 4.964 0.000 2.225) 5.440 5.203 ( -2.759 0.000 0.419) 2.790 5.299 ( 1.848 0.000 1.457) 2.354 5.417 ( -4.276 0.000 10.710) 11.532 5.512 ( -0.974 0.000 0.586) 1.137 5.632 ( -5.774 0.000 2.606) 6.335 5.666 ( -0.665 0.000 -3.335) 3.400 5.711 ( -4.911 0.000 -0.861) 4.986 5.757 ( 0.698 0.000 3.410) 3.480 5.776 ( -11.969 0.000 2.598) 12.248 5.873 ( 7.878 0.000 5.562) 9.643 5.985 ( -12.803 0.000 -3.225) 13.203 6.212 ( 13.211 0.000 -4.116) 13.837 6.250 ( -12.932 0.000 -9.794) 16.222 6.488 ( 0.167 0.000 -4.335) 4.338 6.593 ( 2.226 0.000 2.815) 3.589 6.928 ( 9.131 0.000 -11.196) 14.447 7.068 ( 1.318 0.000 0.505) 1.411 7.281 ( 6.954 0.000 -6.924) 9.813 7.463 ( -11.320 0.000 -2.144) 11.521 7.561 ( -3.660 0.000 -6.084) 7.100 7.613 ( 1.073 0.000 9.117) 9.180 7.641 ( 5.320 0.000 11.398) 12.578 7.922 ( 3.279 0.000 -3.731) 4.967 8.229 ( 1.417 0.000 6.258) 6.417 8.261 ( -3.321 0.000 -7.817) 8.493 8.411 ( 1.787 0.000 7.127) 7.347 8.506 ( 3.532 0.000 0.157) 3.536 8.677 ( 2.739 0.000 -0.975) 2.907 8.815 ( 6.308 0.000 -6.771) 9.254 8.857 ( 1.019 0.000 5.880) 5.967 9.188 ( -1.662 0.000 -4.186) 4.504 9.238 ( 12.607 0.000 -2.391) 12.832 9.408 ( 2.483 0.000 0.849) 2.624 9.449 ( -9.405 0.000 7.182) 11.833 9.824 ( -7.114 0.000 -0.874) 7.168 10.004 ( -3.252 0.000 0.227) 3.260 10.717 ( -1.904 0.000 0.853) 2.086 10.801 ( -1.244 0.000 -1.695) 2.102 11.012 ( 2.729 0.000 4.713) 5.446 11.073 ( 0.027 0.000 0.353) 0.354 11.189 ( 1.206 0.000 3.296) 3.510 11.295 ( -2.546 0.000 0.615) 2.619 11.428 ( -3.755 0.000 2.074) 4.290 11.740 ( 2.520 0.000 -3.529) 4.337 11.879 ( -1.063 0.000 -1.443) 1.792 11.970 ( 0.652 0.000 -7.099) 7.129 12.080 ( 3.861 0.000 0.893) 3.963 12.185 ( -2.472 0.000 0.832) 2.608 14.821 ( 1.445 0.000 -3.780) 4.047 14.922 ( 3.944 0.000 2.138) 4.486 19.416 ( -6.012 0.000 -1.567) 6.213 20.404 ( 2.167 0.000 -6.608) 6.955 20.761 ( -4.262 0.000 11.463) 12.229 21.082 ( -10.019 0.000 2.616) 10.355 21.237 ( 2.521 0.000 -0.981) 2.705 21.596 ( -4.805 0.000 -3.305) 5.832 21.915 ( 3.178 0.000 -6.943) 7.636 22.119 ( 3.193 0.000 -2.281) 3.924 22.533 ( -0.944 0.000 1.052) 1.413 22.743 ( -1.287 0.000 -0.547) 1.399 23.190 ( -1.191 0.000 1.439) 1.868 23.322 ( 1.619 0.000 -3.318) 3.692 23.486 ( 4.554 0.000 -0.602) 4.594 23.678 ( 1.095 0.000 5.352) 5.463 ======================= Grid point 80 (28/96) ======================= q-point: (-0.50 0.00 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( -28.808 0.000 -7.542) 29.779 1.951 ( -4.417 0.000 -0.865) 4.501 2.123 ( 12.633 0.000 -10.705) 16.559 2.214 ( 1.580 0.000 9.481) 9.612 2.385 ( 12.639 0.000 -13.936) 18.814 2.578 ( 20.195 0.000 21.041) 29.164 2.723 ( -0.196 0.000 -1.895) 1.905 2.944 ( -2.799 0.000 -1.385) 3.123 3.472 ( -32.240 0.000 -9.509) 33.613 3.711 ( -0.306 0.000 -19.084) 19.086 3.838 ( 3.567 0.000 -2.473) 4.340 3.845 ( -2.745 0.000 -5.625) 6.259 3.877 ( -6.743 0.000 -1.715) 6.957 4.014 ( -7.724 0.000 -1.591) 7.886 4.162 ( -5.622 0.000 6.214) 8.380 4.292 ( -0.803 0.000 -7.129) 7.174 4.427 ( 4.809 0.000 -2.503) 5.421 4.456 ( 1.021 0.000 1.241) 1.607 4.662 ( 13.570 0.000 2.404) 13.782 4.729 ( 5.362 0.000 -0.558) 5.391 4.808 ( 2.005 0.000 5.416) 5.776 4.847 ( 8.913 0.000 20.842) 22.668 4.873 ( -6.305 0.000 3.995) 7.464 5.064 ( 1.346 0.000 2.833) 3.137 5.125 ( 1.434 0.000 -1.520) 2.089 5.175 ( -10.768 0.000 -3.133) 11.215 5.236 ( 3.413 0.000 2.183) 4.052 5.358 ( 0.648 0.000 4.299) 4.347 5.444 ( 3.560 0.000 1.839) 4.007 5.446 ( -4.026 0.000 0.004) 4.026 5.568 ( -2.723 0.000 -1.202) 2.977 5.591 ( -2.055 0.000 -2.072) 2.918 5.606 ( -5.320 0.000 4.027) 6.673 5.716 ( 4.889 0.000 -0.873) 4.966 5.770 ( -0.404 0.000 3.200) 3.225 5.898 ( -3.175 0.000 1.280) 3.423 5.923 ( 3.235 0.000 1.422) 3.534 6.164 ( -0.553 0.000 -1.555) 1.651 6.482 ( 6.564 0.000 2.775) 7.126 6.495 ( 15.946 0.000 -6.548) 17.238 6.623 ( -1.585 0.000 3.348) 3.704 6.951 ( 4.550 0.000 -11.671) 12.526 7.092 ( 2.577 0.000 -5.427) 6.008 7.179 ( -13.492 0.000 2.263) 13.680 7.241 ( -0.702 0.000 -14.944) 14.960 7.453 ( 0.466 0.000 -3.472) 3.504 7.690 ( -1.318 0.000 6.843) 6.969 7.805 ( -0.633 0.000 1.941) 2.042 7.944 ( 3.268 0.000 -6.217) 7.023 8.177 ( 2.368 0.000 0.575) 2.437 8.226 ( -7.917 0.000 5.750) 9.785 8.518 ( -0.286 0.000 9.362) 9.366 8.582 ( -0.298 0.000 5.674) 5.682 8.724 ( 1.326 0.000 1.578) 2.061 8.901 ( 10.425 0.000 -8.496) 13.448 8.932 ( -0.702 0.000 7.018) 7.053 9.174 ( 4.196 0.000 -1.494) 4.454 9.260 ( -11.120 0.000 7.077) 13.181 9.423 ( 4.163 0.000 -6.741) 7.922 9.476 ( 1.909 0.000 1.833) 2.646 9.734 ( 0.828 0.000 -2.333) 2.476 9.909 ( -4.267 0.000 -2.193) 4.797 10.690 ( -1.028 0.000 -0.100) 1.033 10.771 ( -0.033 0.000 -1.833) 1.833 11.074 ( -1.689 0.000 3.875) 4.227 11.083 ( 0.148 0.000 1.039) 1.050 11.260 ( -1.601 0.000 0.916) 1.844 11.262 ( 2.676 0.000 5.503) 6.119 11.381 ( -3.329 0.000 3.060) 4.522 11.745 ( 1.791 0.000 -3.764) 4.168 11.863 ( 0.576 0.000 -2.260) 2.333 11.906 ( 1.168 0.000 -10.560) 10.624 12.114 ( -0.502 0.000 0.148) 0.523 12.154 ( -1.716 0.000 1.072) 2.023 14.833 ( 2.652 0.000 -1.806) 3.209 14.934 ( -3.133 0.000 -1.372) 3.421 19.468 ( 7.195 0.000 8.577) 11.195 20.347 ( 0.167 0.000 -9.348) 9.350 20.781 ( -6.045 0.000 11.906) 13.353 20.971 ( -3.582 0.000 0.737) 3.657 21.215 ( -1.772 0.000 -4.389) 4.733 21.548 ( 2.457 0.000 -1.946) 3.134 21.937 ( 5.239 0.000 -4.719) 7.051 22.090 ( -1.585 0.000 -6.141) 6.342 22.546 ( 0.593 0.000 2.353) 2.426 22.707 ( -1.274 0.000 -1.937) 2.319 23.165 ( -2.192 0.000 0.021) 2.192 23.323 ( 1.258 0.000 -2.954) 3.211 23.594 ( 6.221 0.000 3.838) 7.310 23.671 ( -5.126 0.000 1.611) 5.373 ======================= Grid point 81 (29/96) ======================= q-point: (-0.33 0.00 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -30.871 0.000 -0.474) 30.874 1.462 ( -34.596 0.000 -2.589) 34.693 2.070 ( -10.361 0.000 -7.833) 12.989 2.298 ( -48.599 0.000 -4.536) 48.811 2.549 ( 15.704 0.000 0.238) 15.706 2.675 ( 18.065 0.000 -0.382) 18.069 2.978 ( 21.565 0.000 8.166) 23.059 3.115 ( 0.088 0.000 5.747) 5.748 3.120 ( 20.586 0.000 10.000) 22.886 3.494 ( 3.783 0.000 -23.558) 23.860 3.664 ( -5.660 0.000 -19.426) 20.234 3.808 ( -1.258 0.000 1.743) 2.149 3.839 ( -9.675 0.000 7.516) 12.251 4.025 ( 2.760 0.000 7.670) 8.152 4.100 ( 2.808 0.000 -1.055) 3.000 4.156 ( -4.853 0.000 -5.977) 7.699 4.502 ( 1.771 0.000 1.777) 2.508 4.554 ( 7.150 0.000 2.086) 7.448 4.684 ( -3.259 0.000 -7.699) 8.360 4.706 ( -9.110 0.000 -1.871) 9.300 4.830 ( 2.347 0.000 10.739) 10.992 4.885 ( 2.881 0.000 -0.088) 2.882 4.946 ( -8.539 0.000 -1.317) 8.639 5.061 ( -3.325 0.000 -0.196) 3.331 5.148 ( -0.291 0.000 -1.181) 1.217 5.155 ( -0.013 0.000 4.866) 4.866 5.289 ( 4.206 0.000 -3.829) 5.687 5.337 ( -4.386 0.000 6.176) 7.575 5.430 ( -1.304 0.000 0.895) 1.581 5.458 ( -3.806 0.000 5.483) 6.675 5.600 ( 9.204 0.000 -4.978) 10.464 5.666 ( -0.644 0.000 3.324) 3.386 5.688 ( 5.963 0.000 1.435) 6.133 5.756 ( -2.639 0.000 -0.255) 2.651 5.863 ( -1.241 0.000 1.685) 2.093 5.918 ( 9.100 0.000 11.816) 14.914 6.057 ( -3.198 0.000 -4.549) 5.561 6.137 ( 16.723 0.000 6.122) 17.808 6.574 ( 11.788 0.000 -12.177) 16.948 6.614 ( -0.319 0.000 0.745) 0.810 6.640 ( -0.440 0.000 -10.666) 10.675 6.840 ( -4.800 0.000 -10.071) 11.156 6.923 ( -5.233 0.000 2.612) 5.848 7.096 ( -0.923 0.000 -10.336) 10.377 7.338 ( 9.710 0.000 14.669) 17.591 7.409 ( -1.979 0.000 -0.340) 2.008 7.731 ( 0.954 0.000 4.437) 4.538 7.800 ( 5.907 0.000 -6.122) 8.507 7.900 ( -3.575 0.000 -2.490) 4.357 8.095 ( -8.690 0.000 2.874) 9.153 8.221 ( -3.304 0.000 -3.026) 4.480 8.543 ( -6.511 0.000 8.420) 10.644 8.561 ( -6.366 0.000 3.345) 7.192 8.734 ( 2.293 0.000 -7.601) 7.940 8.939 ( -1.768 0.000 -9.456) 9.620 8.961 ( -2.027 0.000 4.620) 5.045 9.165 ( 1.111 0.000 6.069) 6.170 9.281 ( 6.044 0.000 -0.082) 6.045 9.446 ( 0.593 0.000 6.781) 6.807 9.506 ( 0.136 0.000 1.451) 1.457 9.785 ( 3.655 0.000 0.517) 3.691 9.813 ( -1.885 0.000 -7.190) 7.433 10.680 ( -0.024 0.000 -0.175) 0.176 10.763 ( 0.963 0.000 -1.504) 1.786 11.036 ( -5.100 0.000 3.386) 6.122 11.100 ( 0.151 0.000 1.863) 1.869 11.271 ( 2.059 0.000 1.051) 2.312 11.370 ( -2.047 0.000 10.413) 10.612 11.395 ( 4.199 0.000 3.316) 5.350 11.739 ( 1.194 0.000 -2.953) 3.185 11.778 ( -1.485 0.000 -17.690) 17.752 11.826 ( -1.087 0.000 -5.077) 5.192 12.092 ( -2.205 0.000 2.051) 3.012 12.138 ( -1.049 0.000 0.601) 1.209 14.815 ( -5.889 0.000 -2.803) 6.522 14.880 ( 2.839 0.000 0.462) 2.876 19.758 ( 9.656 0.000 12.212) 15.568 20.202 ( -2.319 0.000 -19.884) 20.019 20.772 ( -6.682 0.000 11.868) 13.620 20.944 ( -0.566 0.000 1.141) 1.273 21.136 ( -1.354 0.000 -3.684) 3.925 21.619 ( 7.629 0.000 -4.263) 8.739 21.969 ( -3.354 0.000 -6.873) 7.648 22.005 ( 4.621 0.000 -1.767) 4.947 22.603 ( 2.543 0.000 3.478) 4.309 22.658 ( -1.004 0.000 -3.613) 3.750 23.095 ( -5.312 0.000 -0.769) 5.367 23.311 ( 0.195 0.000 -2.055) 2.064 23.558 ( -5.681 0.000 -0.973) 5.764 23.805 ( 9.428 0.000 8.687) 12.820 ======================= Grid point 82 (30/96) ======================= q-point: (-0.17 0.00 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( -38.993 0.000 -6.439) 39.521 0.688 ( -24.451 0.000 19.034) 30.986 1.430 ( -51.260 0.000 32.091) 60.476 1.818 ( -7.308 0.000 -0.710) 7.342 2.871 ( 15.357 0.000 2.298) 15.528 3.054 ( -4.996 0.000 -12.527) 13.487 3.147 ( 21.784 0.000 11.061) 24.432 3.236 ( 4.631 0.000 -0.266) 4.638 3.439 ( 4.625 0.000 -10.102) 11.110 3.470 ( 2.378 0.000 -9.635) 9.924 3.517 ( 7.959 0.000 -2.711) 8.408 3.865 ( 8.512 0.000 12.158) 14.842 3.870 ( 3.273 0.000 9.914) 10.440 4.127 ( 2.256 0.000 -9.283) 9.553 4.148 ( 0.317 0.000 12.237) 12.241 4.200 ( 6.644 0.000 5.469) 8.605 4.448 ( -5.586 0.000 -5.245) 7.663 4.539 ( -0.864 0.000 -11.324) 11.357 4.542 ( -4.074 0.000 3.453) 5.341 4.681 ( 2.935 0.000 4.773) 5.603 4.783 ( -9.428 0.000 2.885) 9.859 4.873 ( -2.018 0.000 -7.260) 7.535 4.899 ( -8.216 0.000 3.656) 8.993 5.045 ( 7.759 0.000 2.096) 8.037 5.084 ( 0.109 0.000 -0.453) 0.466 5.193 ( -0.622 0.000 7.289) 7.315 5.253 ( -7.377 0.000 0.652) 7.406 5.372 ( 6.089 0.000 -1.422) 6.253 5.438 ( 3.399 0.000 -0.779) 3.487 5.469 ( -4.445 0.000 7.196) 8.458 5.575 ( 1.475 0.000 -3.710) 3.992 5.701 ( -0.624 0.000 -2.567) 2.641 5.743 ( -0.161 0.000 -1.128) 1.140 5.776 ( 4.291 0.000 0.184) 4.295 5.923 ( 3.503 0.000 -1.570) 3.839 6.042 ( 5.550 0.000 -1.865) 5.855 6.099 ( 2.767 0.000 9.547) 9.939 6.297 ( -3.913 0.000 -3.878) 5.509 6.452 ( -5.487 0.000 -7.412) 9.222 6.650 ( -5.928 0.000 -3.600) 6.935 6.676 ( 9.439 0.000 -8.419) 12.648 6.788 ( 9.941 0.000 5.078) 11.163 6.924 ( -2.005 0.000 8.119) 8.363 7.021 ( 6.372 0.000 -6.843) 9.350 7.477 ( 5.440 0.000 6.644) 8.587 7.611 ( 5.252 0.000 7.670) 9.296 7.718 ( -10.994 0.000 6.237) 12.640 7.831 ( -18.053 0.000 -17.836) 25.378 7.879 ( 1.307 0.000 3.332) 3.579 7.900 ( 2.103 0.000 -7.152) 7.455 8.010 ( 2.136 0.000 -1.263) 2.482 8.412 ( -10.187 0.000 3.728) 10.847 8.437 ( -6.960 0.000 -0.936) 7.022 8.650 ( 0.377 0.000 -13.609) 13.614 8.897 ( 1.925 0.000 -2.873) 3.458 8.952 ( -1.477 0.000 0.511) 1.563 9.289 ( 4.966 0.000 -1.719) 5.255 9.336 ( 2.992 0.000 -8.084) 8.620 9.518 ( -2.305 0.000 5.227) 5.713 9.611 ( 4.863 0.000 16.310) 17.020 9.700 ( -1.281 0.000 -5.903) 6.040 9.858 ( 0.574 0.000 6.776) 6.800 10.681 ( 0.152 0.000 0.401) 0.428 10.780 ( 1.568 0.000 0.161) 1.577 10.969 ( -5.693 0.000 3.536) 6.702 11.121 ( -0.178 0.000 1.935) 1.944 11.344 ( 4.842 0.000 -1.299) 5.013 11.391 ( -6.406 0.000 -11.518) 13.179 11.475 ( -6.509 0.000 -8.195) 10.465 11.622 ( 11.921 0.000 19.996) 23.280 11.704 ( -2.359 0.000 -3.446) 4.176 11.780 ( 2.074 0.000 -2.197) 3.021 12.073 ( -2.751 0.000 2.610) 3.792 12.121 ( -0.894 0.000 -0.574) 1.063 14.703 ( -3.083 0.000 -1.372) 3.374 14.935 ( 1.117 0.000 1.554) 1.914 19.825 ( -9.804 0.000 -22.897) 24.907 19.969 ( 1.381 0.000 6.974) 7.109 20.767 ( -6.355 0.000 12.047) 13.620 21.001 ( 3.665 0.000 9.606) 10.281 21.107 ( 0.884 0.000 -1.641) 1.864 21.732 ( 9.198 0.000 -6.589) 11.315 21.882 ( -0.024 0.000 -2.677) 2.677 22.049 ( 0.562 0.000 -0.425) 0.705 22.602 ( -1.479 0.000 -2.541) 2.940 22.704 ( 3.474 0.000 2.783) 4.452 22.963 ( -6.651 0.000 1.330) 6.782 23.299 ( 0.445 0.000 -1.344) 1.416 23.476 ( -1.910 0.000 -0.874) 2.100 24.046 ( 5.599 0.000 -1.194) 5.725 ======================= Grid point 83 (31/96) ======================= q-point: ( 0.00 0.10 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( 6.022 -2.387 28.140) 28.876 1.050 ( -4.033 15.355 33.166) 36.769 1.524 ( 7.030 28.708 39.821) 49.592 1.918 ( 8.804 4.291 9.384) 13.565 2.600 ( -6.148 -8.733 -18.153) 21.061 3.022 ( -1.439 -6.955 -4.362) 8.335 3.116 ( 4.207 -16.303 -5.277) 17.645 3.205 ( -3.489 -5.760 -2.593) 7.216 3.345 ( 1.335 -6.756 1.435) 7.035 3.507 ( -1.350 3.134 1.488) 3.723 3.642 ( 1.347 0.453 -6.860) 7.005 3.765 ( -10.250 -4.445 -8.547) 14.067 3.887 ( 4.028 -6.169 4.197) 8.479 3.987 ( 1.368 -5.917 0.768) 6.121 4.089 ( 1.946 -8.522 7.526) 11.535 4.174 ( -6.250 -9.705 1.738) 11.673 4.306 ( -3.624 -6.868 -6.646) 10.222 4.459 ( -1.253 -3.587 -3.489) 5.158 4.551 ( -0.694 -3.706 1.120) 3.933 4.574 ( -2.038 -8.698 -1.925) 9.139 4.696 ( -1.816 -3.788 0.583) 4.241 4.865 ( -1.911 -0.484 -2.609) 3.270 4.893 ( 6.797 -2.392 7.683) 10.534 5.066 ( 9.753 -1.434 6.282) 11.689 5.109 ( -0.153 3.763 -3.183) 4.931 5.212 ( 0.486 -0.970 -3.187) 3.367 5.271 ( 2.225 -1.613 8.349) 8.790 5.379 ( 1.284 -5.865 -4.898) 7.749 5.442 ( -0.905 -0.428 4.178) 4.296 5.570 ( 3.817 3.370 2.895) 5.857 5.681 ( -6.025 2.985 -0.613) 6.752 5.704 ( -0.557 1.998 -6.079) 6.423 5.741 ( -1.523 0.356 -5.309) 5.534 5.840 ( -1.624 4.598 0.030) 4.876 5.881 ( -1.910 -0.843 -1.459) 2.547 6.096 ( 0.197 2.652 0.564) 2.719 6.289 ( 3.191 2.648 -1.816) 4.527 6.403 ( 5.938 7.283 -6.495) 11.424 6.589 ( -8.755 12.261 -6.255) 16.313 6.718 ( 11.207 -1.049 -8.368) 14.025 6.789 ( -4.163 5.049 -9.629) 11.643 6.969 ( 3.615 1.398 -2.008) 4.365 7.024 ( -2.349 6.459 -0.959) 6.940 7.125 ( 5.408 1.230 -2.068) 5.919 7.346 ( -9.545 -1.175 0.521) 9.631 7.561 ( -2.695 -4.384 -2.834) 5.875 7.602 ( -5.775 -0.615 6.693) 8.861 7.803 ( 0.728 -3.339 -1.074) 3.582 7.823 ( 19.033 -1.880 6.622) 20.240 7.948 ( -2.838 -1.166 2.499) 3.957 8.108 ( 0.618 0.486 -3.066) 3.165 8.260 ( -0.244 -3.537 1.506) 3.852 8.313 ( 1.580 -4.704 -4.881) 6.961 8.664 ( 5.247 4.171 -3.887) 7.748 8.790 ( -3.978 -1.141 -5.115) 6.579 8.928 ( -4.589 0.956 -1.035) 4.801 9.126 ( -5.868 -1.043 -14.408) 15.592 9.249 ( 2.626 -2.172 -10.408) 10.952 9.431 ( -5.288 -5.963 6.789) 10.469 9.627 ( -8.178 -3.420 13.573) 16.211 9.717 ( 5.914 -7.602 8.118) 12.597 9.984 ( 1.696 2.717 7.800) 8.432 10.737 ( 0.152 3.608 1.193) 3.804 10.842 ( 1.509 1.514 1.200) 2.451 10.914 ( -4.062 1.601 4.765) 6.462 11.070 ( 0.511 -1.389 2.822) 3.187 11.174 ( -3.448 2.761 -0.958) 4.520 11.354 ( 1.344 -2.621 -4.422) 5.313 11.487 ( 0.921 0.952 0.572) 1.442 11.672 ( 1.298 0.219 -1.850) 2.271 11.857 ( 1.187 1.904 1.526) 2.714 11.991 ( 12.182 -7.784 9.359) 17.222 12.053 ( -1.916 1.224 -1.366) 2.653 12.131 ( 1.525 5.101 -1.664) 5.578 14.785 ( 3.772 2.731 -5.696) 7.358 14.900 ( -6.231 2.124 -5.240) 8.414 19.823 ( -3.593 -9.749 0.507) 10.402 19.946 ( 26.859 -10.184 -0.900) 28.739 20.777 ( -5.595 2.613 8.896) 10.829 21.026 ( -2.576 -12.716 14.423) 19.400 21.334 ( 10.527 -0.839 14.466) 17.911 21.459 ( -12.141 -8.941 4.522) 15.742 21.828 ( 0.921 0.283 -5.062) 5.153 21.929 ( 3.713 0.305 1.182) 3.909 22.698 ( -5.245 3.382 -3.151) 6.991 22.789 ( 1.972 6.925 -3.487) 8.000 23.044 ( 5.742 2.911 10.738) 12.520 23.331 ( 0.920 0.266 1.978) 2.198 23.450 ( 0.344 -1.000 -0.557) 1.195 24.002 ( -9.821 16.703 -21.962) 29.288 ======================= Grid point 84 (32/96) ======================= q-point: ( 0.17 0.10 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 17.276 -3.709 25.190) 30.769 1.325 ( 8.434 10.173 27.926) 30.894 2.206 ( 11.730 -3.489 4.922) 13.190 2.332 ( 6.343 -3.925 -9.273) 11.900 2.500 ( 32.003 13.809 27.079) 44.138 2.744 ( -12.006 -1.082 -12.722) 17.526 2.875 ( -16.138 -3.704 -6.650) 17.843 3.054 ( -16.320 5.815 -24.067) 29.654 3.295 ( -7.490 -5.176 1.537) 9.233 3.419 ( 4.251 -11.642 5.702) 13.643 3.504 ( -0.196 -10.067 6.377) 11.918 3.808 ( 3.287 -4.184 1.949) 5.667 4.018 ( 0.923 -11.210 7.814) 13.696 4.030 ( -2.826 -10.889 2.615) 11.550 4.091 ( 2.502 -4.213 -8.073) 9.444 4.156 ( -1.143 -4.204 2.097) 4.835 4.316 ( -2.406 -8.969 -6.059) 11.088 4.401 ( 5.575 -6.426 3.786) 9.311 4.547 ( 2.081 -4.228 -0.003) 4.713 4.585 ( 6.367 -8.138 1.202) 10.402 4.757 ( 0.393 -0.207 1.634) 1.694 4.845 ( 6.196 -1.691 -2.058) 6.745 4.991 ( -2.161 2.159 -4.298) 5.273 5.015 ( 1.469 -3.438 4.039) 5.504 5.174 ( -0.221 -4.453 -6.120) 7.572 5.230 ( -3.345 1.853 -1.774) 4.216 5.290 ( -2.584 2.536 -1.124) 3.791 5.336 ( -2.717 1.090 -3.656) 4.684 5.443 ( -8.028 2.589 9.262) 12.527 5.530 ( -7.994 -4.381 -2.167) 9.370 5.644 ( 4.467 -0.544 2.278) 5.044 5.650 ( 2.380 1.014 -2.069) 3.312 5.733 ( -1.852 2.680 3.575) 4.837 5.783 ( -2.684 2.453 4.263) 5.603 5.967 ( -0.142 3.806 0.858) 3.904 6.009 ( 3.044 8.489 -4.681) 10.161 6.136 ( -13.832 9.706 -1.670) 16.980 6.468 ( 8.875 5.942 -3.674) 11.294 6.492 ( 1.882 2.290 -4.410) 5.314 6.556 ( -18.917 2.595 -11.518) 22.299 6.711 ( -8.173 3.213 -12.685) 15.428 6.888 ( 2.778 4.521 -2.094) 5.705 6.974 ( 1.811 -3.308 3.072) 4.864 7.212 ( 5.567 0.287 -0.594) 5.606 7.347 ( 3.253 -3.776 8.616) 9.954 7.525 ( 0.439 -1.581 2.366) 2.879 7.582 ( -3.524 0.629 6.954) 7.821 7.756 ( -4.241 -0.900 -3.803) 5.767 7.880 ( -4.097 -5.134 3.162) 7.290 8.066 ( 0.456 -3.488 -2.289) 4.197 8.231 ( 16.553 -4.056 -5.376) 17.870 8.316 ( 2.507 -0.781 5.773) 6.342 8.392 ( 7.019 -4.552 -3.279) 8.985 8.670 ( 0.075 -4.696 -10.581) 11.577 8.765 ( 1.389 0.109 6.127) 6.283 8.853 ( -1.818 0.770 -0.438) 2.022 8.990 ( 7.681 -0.582 -11.067) 13.484 9.218 ( 1.539 -1.913 -6.623) 7.064 9.382 ( -4.483 -2.885 4.537) 7.001 9.560 ( -11.373 -0.586 11.804) 16.402 9.824 ( -0.620 -6.780 3.914) 7.853 10.058 ( -0.599 3.133 3.308) 4.595 10.725 ( -1.916 0.312 1.772) 2.629 10.878 ( -0.664 3.230 0.383) 3.319 10.936 ( 1.692 1.444 3.877) 4.469 11.090 ( -1.831 0.327 -0.843) 2.042 11.147 ( 1.525 1.333 2.763) 3.425 11.337 ( 0.120 -0.498 -2.021) 2.085 11.493 ( -1.761 2.068 1.743) 3.228 11.710 ( 4.005 -0.929 -2.589) 4.858 11.875 ( -1.757 -3.637 2.090) 4.547 12.003 ( 0.618 3.917 -1.895) 4.395 12.051 ( -0.610 1.689 -3.403) 3.848 12.228 ( 2.164 0.227 1.204) 2.487 14.753 ( -1.794 -2.210 -2.460) 3.762 14.867 ( 5.433 0.734 -0.905) 5.556 19.610 ( -12.092 -5.364 -4.394) 13.939 20.316 ( 13.760 -6.459 -9.367) 17.855 20.766 ( -4.329 2.680 8.713) 10.092 21.083 ( -4.465 -11.963 10.052) 16.251 21.270 ( -8.510 -0.384 0.615) 8.541 21.648 ( -1.204 -6.840 5.104) 8.619 21.789 ( 9.555 -3.312 -3.647) 10.751 22.077 ( 7.351 2.279 0.539) 7.715 22.602 ( -3.164 3.757 0.005) 4.912 22.791 ( 1.212 3.743 -2.429) 4.623 23.207 ( 0.745 5.388 6.493) 8.471 23.358 ( -1.112 -0.223 2.181) 2.458 23.502 ( 4.524 -4.408 2.950) 6.971 23.658 ( -3.889 18.048 -14.147) 23.259 ======================= Grid point 85 (33/96) ======================= q-point: ( 0.33 0.10 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 20.948 4.479 12.256) 24.680 1.875 ( 19.052 -2.323 24.442) 31.077 2.128 ( 5.995 -3.489 -21.779) 22.857 2.265 ( -13.861 -5.380 -10.913) 18.443 2.402 ( -14.586 1.217 -12.311) 19.126 2.610 ( -7.623 4.904 -10.839) 14.129 2.661 ( 1.930 -0.477 3.578) 4.093 3.082 ( -11.357 2.335 5.426) 12.801 3.434 ( 15.731 -4.126 7.968) 18.110 3.523 ( 6.299 -19.043 4.278) 20.509 3.684 ( 6.802 -8.792 3.741) 11.728 3.856 ( -4.211 -14.692 -3.115) 15.598 3.917 ( 9.240 -2.474 6.969) 11.835 3.962 ( -8.477 -11.601 -1.337) 14.430 4.136 ( 5.484 -1.250 -6.336) 8.473 4.240 ( 4.290 -4.603 10.524) 12.261 4.310 ( 1.939 -6.328 -1.004) 6.694 4.449 ( 1.420 0.223 -2.404) 2.801 4.596 ( 1.132 -2.410 -1.030) 2.855 4.665 ( -4.083 -0.523 -2.233) 4.683 4.789 ( 3.464 -5.596 5.874) 8.821 4.823 ( -9.743 4.671 -8.199) 13.564 4.969 ( -5.452 -7.158 -4.128) 9.900 5.008 ( -6.812 3.260 -5.830) 9.540 5.076 ( 5.645 0.574 2.955) 6.397 5.174 ( 1.666 0.624 1.328) 2.220 5.217 ( -6.606 -8.355 11.046) 15.345 5.257 ( 1.627 1.986 -0.152) 2.572 5.392 ( 0.496 1.541 1.038) 1.923 5.467 ( -2.006 -1.956 -1.412) 3.137 5.609 ( -7.359 -0.185 -2.803) 7.877 5.699 ( -4.628 3.210 9.038) 10.649 5.725 ( 1.027 -1.058 -0.653) 1.613 5.755 ( -2.880 0.154 0.371) 2.908 5.893 ( -6.946 4.012 0.170) 8.023 5.986 ( -3.722 9.974 2.488) 10.933 6.069 ( -4.139 9.705 0.536) 10.564 6.211 ( 6.452 -1.214 -13.377) 14.901 6.286 ( -5.865 4.221 -1.692) 7.422 6.483 ( -1.189 1.477 -4.693) 5.062 6.699 ( 4.349 7.999 3.102) 9.619 6.930 ( 7.919 0.031 -11.407) 13.886 7.052 ( 1.944 -0.944 1.517) 2.641 7.280 ( 5.581 -0.693 -7.996) 9.775 7.459 ( -7.825 -0.916 -2.233) 8.189 7.588 ( 0.810 1.919 1.495) 2.564 7.600 ( 1.104 -3.179 7.221) 7.967 7.643 ( 1.275 3.058 6.593) 7.379 7.868 ( 2.552 -4.766 -3.262) 6.314 8.100 ( -0.159 -9.013 3.434) 9.647 8.275 ( -1.067 -1.240 -7.390) 7.569 8.409 ( 0.847 -2.062 5.206) 5.663 8.496 ( 5.073 -1.375 3.041) 6.072 8.646 ( 5.968 -4.505 -4.320) 8.636 8.803 ( 1.444 -1.507 -2.700) 3.413 8.875 ( 1.644 1.459 4.185) 4.727 9.131 ( -5.580 -4.610 2.286) 7.590 9.176 ( 13.840 -5.527 -5.546) 15.902 9.402 ( 2.765 -0.253 1.095) 2.985 9.441 ( -9.749 0.114 5.319) 11.106 9.785 ( -4.695 -2.932 0.800) 5.593 10.018 ( -4.417 0.849 -0.971) 4.601 10.704 ( -1.485 -0.697 0.693) 1.780 10.846 ( -1.776 3.576 -1.828) 4.392 10.964 ( -0.964 -2.749 2.300) 3.711 11.127 ( 4.407 3.446 1.941) 5.921 11.190 ( -0.779 0.423 3.861) 3.961 11.320 ( -0.307 1.550 -1.326) 2.063 11.455 ( -4.483 2.607 3.310) 6.152 11.743 ( 2.394 0.161 -3.345) 4.116 11.847 ( -0.389 -4.117 -1.665) 4.458 12.000 ( 0.313 2.971 -5.600) 6.347 12.040 ( 2.461 -0.318 0.369) 2.509 12.233 ( -1.549 3.102 0.725) 3.542 14.723 ( 0.607 -6.660 -1.538) 6.863 14.973 ( 3.966 2.222 0.626) 4.589 19.393 ( -5.256 -2.191 -1.287) 5.839 20.373 ( 3.726 -4.079 -9.475) 10.968 20.785 ( -3.240 2.302 9.253) 10.070 21.011 ( -10.831 -7.600 8.511) 15.732 21.223 ( 1.899 0.164 -1.263) 2.287 21.556 ( -3.932 -3.632 -2.446) 5.885 21.937 ( 6.133 2.482 -3.812) 7.636 22.161 ( 3.418 3.255 -4.940) 6.833 22.577 ( -1.274 4.556 3.163) 5.690 22.787 ( -0.033 3.903 -0.557) 3.943 23.229 ( -0.824 4.565 0.986) 4.743 23.326 ( -0.890 0.102 -2.432) 2.592 23.577 ( 3.072 9.059 -3.909) 10.333 23.619 ( 0.909 -5.437 5.599) 7.857 ======================= Grid point 86 (34/96) ======================= q-point: (-0.50 0.10 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( -27.297 -3.597 -7.099) 28.434 2.020 ( -1.675 6.432 -0.571) 6.672 2.149 ( 11.661 2.482 -8.883) 14.868 2.250 ( 6.008 0.430 0.256) 6.028 2.399 ( 6.048 6.193 -5.458) 10.234 2.474 ( 18.310 -8.441 17.714) 26.838 2.697 ( 1.165 -2.380 -1.800) 3.203 2.961 ( -2.759 0.924 -1.181) 3.140 3.430 ( -13.923 -11.536 -5.044) 18.771 3.621 ( -9.766 -13.516 -7.024) 18.094 3.683 ( -5.912 -7.429 -13.389) 16.414 3.759 ( -0.728 -9.481 -1.403) 9.612 3.768 ( -9.435 -7.221 -9.561) 15.250 3.797 ( -1.316 -10.193 3.935) 11.005 4.146 ( -1.754 -3.414 2.726) 4.708 4.291 ( 0.701 -3.560 0.860) 3.729 4.428 ( 1.386 -3.570 -3.299) 5.055 4.555 ( -3.607 -4.837 -0.291) 6.041 4.632 ( 3.441 6.666 -2.755) 7.992 4.672 ( 9.186 -3.137 2.947) 10.144 4.763 ( 2.830 -4.192 8.208) 9.641 4.826 ( -4.223 -2.666 2.606) 5.634 4.936 ( 5.951 0.602 6.075) 8.525 4.969 ( 1.883 -4.991 5.896) 7.951 5.112 ( -0.110 -1.945 1.935) 2.746 5.182 ( -5.641 -2.346 5.521) 8.234 5.267 ( -3.032 2.546 -6.085) 7.260 5.277 ( -1.501 -2.417 3.092) 4.202 5.393 ( 2.833 -1.690 1.264) 3.533 5.442 ( 6.672 -1.846 -0.800) 6.969 5.473 ( -2.267 -2.373 2.172) 3.935 5.609 ( -3.957 3.496 -1.317) 5.442 5.640 ( -4.544 3.021 -2.606) 6.047 5.741 ( -1.332 -1.127 3.455) 3.870 5.888 ( 2.088 2.215 1.591) 3.434 5.952 ( 4.963 9.400 2.951) 11.032 6.062 ( -1.687 11.001 2.991) 11.524 6.214 ( 1.969 4.452 -1.666) 5.145 6.495 ( 15.418 -0.026 -0.848) 15.442 6.520 ( 8.509 4.776 -3.338) 10.314 6.712 ( -3.357 6.999 2.761) 8.239 6.949 ( 3.097 0.005 -9.426) 9.922 7.106 ( 3.952 0.378 2.408) 4.643 7.205 ( -5.684 2.080 -11.608) 13.091 7.219 ( -6.470 -0.759 -8.091) 10.387 7.479 ( -2.270 2.655 -2.501) 4.297 7.708 ( -1.345 1.601 5.476) 5.862 7.805 ( 0.045 -0.061 2.830) 2.831 7.883 ( 4.082 -5.349 -4.574) 8.136 8.075 ( -1.524 -7.811 2.863) 8.457 8.232 ( -1.020 -2.166 1.343) 2.745 8.472 ( -1.703 -3.873 8.347) 9.358 8.603 ( -0.433 -0.454 4.384) 4.428 8.730 ( 3.974 0.002 0.297) 3.985 8.824 ( 6.032 -8.812 -5.759) 12.132 8.934 ( 0.010 -0.485 3.574) 3.607 9.071 ( -3.456 -4.938 7.122) 9.330 9.266 ( -8.481 -2.306 -1.607) 8.935 9.363 ( 8.583 -3.164 -2.001) 9.364 9.470 ( 1.514 -0.924 -0.126) 1.779 9.729 ( -1.372 -0.073 0.474) 1.454 9.914 ( -2.610 0.297 -3.970) 4.761 10.687 ( -0.645 -0.244 0.112) 0.699 10.793 ( -0.619 1.708 -3.240) 3.714 10.995 ( 0.844 -3.443 3.984) 5.332 11.167 ( -2.858 4.052 1.047) 5.068 11.224 ( -0.205 0.304 3.831) 3.848 11.325 ( 3.379 1.372 -0.227) 3.654 11.406 ( -4.574 3.026 4.869) 7.334 11.746 ( 1.726 0.200 -3.475) 3.885 11.825 ( -0.178 -3.436 -3.474) 4.890 11.940 ( 0.853 2.049 -9.359) 9.619 12.085 ( 0.843 0.146 2.099) 2.266 12.203 ( -1.940 3.468 0.222) 3.980 14.747 ( 2.304 -5.776 0.990) 6.297 14.979 ( -2.378 2.082 -2.556) 4.064 19.439 ( 6.218 -2.818 7.510) 10.149 20.304 ( 0.532 -5.277 -12.862) 13.912 20.807 ( -4.570 2.541 9.872) 11.171 20.914 ( -6.118 -4.746 5.737) 9.637 21.235 ( 0.388 1.979 -1.745) 2.667 21.507 ( 1.442 -3.877 -2.334) 4.749 21.945 ( -0.456 1.328 -5.888) 6.053 22.132 ( 1.508 3.309 -8.022) 8.807 22.604 ( -0.106 5.836 4.650) 7.463 22.780 ( -0.068 6.298 -0.763) 6.344 23.193 ( -3.130 2.923 -1.045) 4.408 23.311 ( 1.382 -0.885 -2.574) 3.053 23.618 ( -4.243 -4.045 2.456) 6.356 23.667 ( 7.128 6.712 2.314) 10.061 ======================= Grid point 87 (35/96) ======================= q-point: (-0.33 0.10 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -28.661 1.541 0.588) 28.709 1.592 ( -30.918 12.715 -2.504) 33.524 2.076 ( -10.875 0.610 -8.157) 13.608 2.398 ( -38.071 8.369 -6.065) 39.449 2.503 ( 12.920 -2.974 -2.183) 13.436 2.699 ( 17.571 2.093 2.640) 17.891 2.925 ( 11.338 -5.964 7.630) 14.911 3.052 ( 5.784 -2.802 10.340) 12.174 3.093 ( 17.588 -2.746 -0.658) 17.813 3.443 ( -0.806 -10.136 -17.221) 19.999 3.500 ( -2.900 -10.335 -6.262) 12.427 3.615 ( 2.571 -12.694 -1.502) 13.038 3.799 ( -2.121 -6.622 3.476) 7.774 3.881 ( 3.879 -10.213 0.921) 10.963 4.164 ( -0.431 -0.649 0.738) 1.073 4.217 ( -5.543 3.372 0.490) 6.507 4.443 ( 3.009 -3.746 3.427) 5.901 4.569 ( 0.662 -7.351 -0.953) 7.442 4.582 ( -4.590 -6.822 -0.374) 8.231 4.661 ( -3.287 -6.444 -4.746) 8.652 4.770 ( -2.732 -0.855 5.958) 6.610 4.870 ( -0.438 -5.898 -4.463) 7.409 4.897 ( -4.324 -0.767 -0.065) 4.392 4.990 ( -3.292 -10.429 2.820) 11.294 5.108 ( -0.943 1.882 0.124) 2.109 5.197 ( 5.200 -6.405 -4.889) 9.590 5.263 ( 2.922 5.975 2.726) 7.188 5.272 ( -3.707 -1.201 2.390) 4.571 5.441 ( -3.898 0.294 2.276) 4.523 5.492 ( 1.186 0.494 7.760) 7.865 5.575 ( 5.558 -1.245 -2.116) 6.076 5.620 ( 1.212 0.154 -1.701) 2.094 5.712 ( 6.539 -2.518 4.197) 8.168 5.782 ( 4.167 6.000 4.306) 8.479 5.915 ( -0.807 4.094 0.049) 4.173 6.125 ( 1.640 9.576 0.265) 9.719 6.169 ( 0.690 9.811 0.277) 9.839 6.242 ( 18.497 11.772 4.729) 22.430 6.577 ( 9.997 1.115 -8.908) 13.436 6.659 ( -1.905 2.378 -4.255) 5.233 6.683 ( 2.719 2.964 -9.126) 9.973 6.842 ( -4.104 2.500 -4.720) 6.736 7.039 ( -3.963 9.764 1.917) 10.711 7.084 ( -0.352 -1.214 -8.003) 8.102 7.329 ( 9.971 -0.776 12.904) 16.326 7.401 ( -3.262 -0.082 -1.025) 3.420 7.707 ( 2.281 -2.419 -1.559) 3.672 7.765 ( -2.340 -2.020 1.078) 3.274 7.913 ( -0.118 0.285 -3.723) 3.736 8.023 ( -6.050 -5.472 4.167) 9.160 8.266 ( 0.687 1.922 -4.991) 5.392 8.482 ( -4.915 -6.142 6.372) 10.123 8.505 ( -10.820 -6.946 -0.037) 12.857 8.742 ( 1.423 -0.470 -8.680) 8.808 8.838 ( -2.126 -7.243 -0.927) 7.606 8.957 ( -1.067 -1.533 3.911) 4.335 9.148 ( 1.131 -4.403 12.886) 13.664 9.196 ( 4.122 -1.413 -1.972) 4.783 9.465 ( 1.328 -4.135 -1.564) 4.616 9.492 ( 2.619 1.913 3.383) 4.686 9.695 ( -2.732 -4.363 -0.841) 5.216 9.871 ( 1.810 2.522 -4.111) 5.151 10.677 ( -0.274 -0.455 -0.467) 0.708 10.779 ( 1.780 1.327 -1.475) 2.666 11.053 ( -1.156 0.740 5.022) 5.206 11.089 ( -4.014 0.865 0.428) 4.128 11.267 ( 2.866 -0.036 1.897) 3.437 11.384 ( -1.928 0.866 4.535) 5.003 11.416 ( 2.413 1.642 4.697) 5.530 11.724 ( -3.927 -2.470 -9.585) 10.648 11.749 ( 0.863 0.552 -3.692) 3.831 11.852 ( 0.364 -0.188 -9.561) 9.570 12.113 ( -0.587 2.948 3.067) 4.294 12.168 ( -1.606 3.167 -0.351) 3.568 14.820 ( 1.932 0.243 3.078) 3.642 14.879 ( -2.191 -0.060 -3.580) 4.198 19.688 ( 8.048 -6.603 10.616) 14.868 20.117 ( -3.767 -9.009 -22.065) 24.129 20.803 ( -5.974 3.312 10.394) 12.438 20.897 ( -3.263 -3.906 8.325) 9.758 21.210 ( -0.372 6.089 -3.193) 6.885 21.548 ( 4.979 -5.811 -3.059) 8.241 21.824 ( -5.033 -7.875 -4.848) 10.529 22.085 ( -0.235 5.507 -5.500) 7.786 22.666 ( 1.825 6.262 5.313) 8.412 22.774 ( 0.977 8.814 -1.853) 9.060 23.090 ( -6.305 -0.474 -2.271) 6.719 23.307 ( 0.341 -0.354 -1.537) 1.614 23.532 ( -4.732 -1.866 0.268) 5.093 23.902 ( 13.243 8.323 4.455) 16.263 ======================= Grid point 88 (36/96) ======================= q-point: (-0.17 0.10 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( -23.448 11.006 6.574) 26.724 0.905 ( -25.646 21.617 0.566) 33.546 1.628 ( -41.425 18.021 28.129) 53.217 1.857 ( -7.494 4.240 -0.299) 8.616 2.776 ( 10.471 -10.578 -2.613) 15.111 2.900 ( 1.665 -8.518 -9.367) 12.770 3.076 ( 10.726 -3.653 2.869) 11.689 3.216 ( 2.722 -3.940 -0.495) 4.814 3.299 ( 5.183 -7.997 -2.108) 9.760 3.437 ( 4.942 -1.763 -6.086) 8.036 3.560 ( 9.832 -5.023 3.104) 11.469 3.734 ( 3.289 -9.429 0.430) 9.996 3.825 ( 2.970 -6.310 3.639) 7.867 3.972 ( 7.078 -10.952 0.986) 13.077 4.182 ( -4.919 2.654 3.526) 6.608 4.202 ( 2.035 -3.361 4.311) 5.833 4.395 ( -2.324 -8.567 -4.428) 9.920 4.531 ( 0.970 -3.028 6.895) 7.593 4.582 ( -3.659 -1.414 -6.321) 7.439 4.606 ( -2.093 -0.893 1.212) 2.578 4.689 ( -8.321 -8.799 0.739) 12.133 4.811 ( -0.854 -4.688 -6.544) 8.095 4.877 ( 2.065 0.004 6.512) 6.831 5.000 ( -1.394 -8.431 2.755) 8.978 5.034 ( 2.114 1.620 -2.266) 3.497 5.202 ( -3.047 0.563 3.986) 5.049 5.251 ( -1.760 -2.102 -1.720) 3.236 5.350 ( 5.450 -1.607 -0.975) 5.765 5.400 ( 0.978 -1.070 -0.363) 1.494 5.525 ( -3.808 2.877 5.420) 7.221 5.666 ( 4.050 1.909 3.431) 5.640 5.706 ( 4.169 -1.213 -0.820) 4.419 5.768 ( 4.541 2.360 -3.368) 6.127 5.873 ( 2.267 5.690 -5.133) 7.992 5.929 ( 3.215 2.380 -2.333) 4.631 6.105 ( 1.168 5.528 -2.630) 6.233 6.316 ( 8.071 7.735 -5.151) 12.308 6.323 ( -3.925 3.076 -4.853) 6.958 6.565 ( 5.553 4.821 -7.218) 10.304 6.652 ( -1.575 -0.058 -1.100) 1.922 6.805 ( 10.033 8.237 -0.224) 12.983 6.864 ( 13.360 6.834 -0.622) 15.019 6.996 ( 1.407 9.960 -4.106) 10.865 7.054 ( -1.006 5.047 4.169) 6.623 7.417 ( 3.330 -6.196 4.435) 8.316 7.605 ( 6.614 -0.233 6.509) 9.282 7.707 ( -8.531 -1.085 5.969) 10.468 7.756 ( -11.668 -6.915 -7.092) 15.305 7.830 ( 3.879 -2.657 -2.107) 5.153 7.894 ( -6.934 0.830 -6.769) 9.725 8.092 ( 3.299 3.175 -7.370) 8.676 8.333 ( -8.109 -4.768 1.778) 9.573 8.410 ( -6.460 -5.086 0.385) 8.231 8.669 ( 1.651 2.949 -9.769) 10.337 8.855 ( 1.981 -3.678 -1.395) 4.404 8.982 ( -0.395 -0.392 3.331) 3.377 9.258 ( 4.486 -4.338 -6.774) 9.210 9.288 ( 2.115 -2.901 5.558) 6.617 9.452 ( -1.450 -4.627 1.027) 4.956 9.572 ( -0.447 -2.514 5.795) 6.332 9.620 ( -3.391 -4.930 2.047) 6.324 9.894 ( 0.645 2.203 4.684) 5.217 10.685 ( 1.867 0.523 0.455) 1.991 10.816 ( 1.741 3.384 0.754) 3.880 10.980 ( -5.850 1.188 2.976) 6.670 11.094 ( -2.195 -1.681 2.530) 3.748 11.302 ( -3.858 -1.839 -1.772) 4.627 11.410 ( -1.580 -0.566 -10.878) 11.007 11.458 ( -0.817 -0.452 0.544) 1.081 11.584 ( 7.181 -0.539 11.342) 13.435 11.715 ( -1.560 0.140 -2.499) 2.949 11.820 ( 2.321 2.781 -2.003) 4.139 12.105 ( -2.573 2.955 1.013) 4.047 12.146 ( -0.599 4.095 -0.197) 4.144 14.785 ( 1.406 2.182 -5.795) 6.350 14.955 ( 3.848 3.213 2.426) 5.569 19.730 ( -8.099 -8.867 -16.284) 20.234 19.878 ( 0.769 -8.487 5.072) 9.917 20.792 ( -5.749 2.866 10.048) 11.926 20.938 ( -5.401 -5.622 16.827) 18.545 21.182 ( 1.301 6.492 -1.055) 6.704 21.583 ( -2.631 -10.242 0.902) 10.613 21.755 ( 3.126 -6.331 -1.426) 7.203 21.997 ( -4.529 4.565 -2.889) 7.050 22.764 ( 2.441 7.586 0.437) 7.981 22.789 ( 2.628 8.995 -0.288) 9.375 22.936 ( -6.296 -2.637 1.241) 6.938 23.306 ( 0.575 0.013 0.012) 0.575 23.470 ( -1.906 0.036 -0.266) 1.925 24.163 ( 11.071 7.248 -7.484) 15.202 ======================= Grid point 89 (37/96) ======================= q-point: ( 0.00 0.20 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 0.392 30.496 -5.674) 31.021 1.406 ( -0.874 20.386 22.770) 30.575 1.971 ( 1.595 8.894 9.431) 13.061 2.118 ( 9.374 23.333 26.611) 36.612 2.420 ( 2.037 -10.934 -12.611) 16.815 2.768 ( 4.011 -16.751 -4.485) 17.799 2.912 ( -6.400 -4.887 -10.327) 13.095 3.107 ( -5.731 -7.108 -0.609) 9.151 3.130 ( -2.745 -12.624 4.505) 13.682 3.457 ( -0.576 -16.361 3.278) 16.697 3.532 ( 2.295 -3.374 0.247) 4.088 3.650 ( 4.874 -7.481 2.703) 9.329 3.732 ( 4.030 -12.136 6.612) 14.396 3.933 ( 10.895 2.086 -5.418) 12.346 3.958 ( -5.482 -3.724 -3.037) 7.290 4.033 ( -11.787 -1.937 0.608) 11.961 4.146 ( -3.758 -13.893 -8.171) 16.550 4.376 ( -6.227 -3.663 -6.852) 9.957 4.414 ( -0.351 -3.994 1.342) 4.229 4.483 ( -2.316 -3.869 2.142) 4.992 4.618 ( -1.632 -5.366 -2.938) 6.332 4.767 ( -3.458 -5.683 0.273) 6.658 4.899 ( -3.262 -0.724 6.411) 7.229 5.085 ( 10.243 -4.774 -1.423) 11.390 5.102 ( 8.878 0.137 5.899) 10.660 5.153 ( -1.399 -4.251 -3.342) 5.586 5.237 ( 7.480 0.571 4.729) 8.868 5.310 ( 3.439 -0.558 1.364) 3.741 5.450 ( -2.974 1.121 5.244) 6.132 5.597 ( 2.251 0.497 -3.839) 4.478 5.684 ( -2.740 -2.131 -9.265) 9.894 5.733 ( -3.213 -0.844 0.183) 3.327 5.786 ( -1.166 2.772 -1.509) 3.364 5.875 ( 0.102 -0.113 1.056) 1.067 5.922 ( -7.040 4.788 -3.306) 9.133 6.147 ( 7.114 2.224 -0.515) 7.471 6.346 ( -0.112 3.017 0.063) 3.020 6.485 ( 3.714 0.361 -0.571) 3.775 6.655 ( 9.980 -4.772 -7.446) 13.335 6.710 ( 1.502 1.181 0.429) 1.958 6.821 ( -7.789 -5.282 -7.274) 11.895 6.941 ( -4.064 4.144 0.078) 5.805 7.085 ( -4.461 -1.178 -0.432) 4.634 7.119 ( 1.038 -4.577 -3.023) 5.582 7.287 ( -3.566 -5.112 6.732) 9.175 7.463 ( 1.034 -2.707 -6.385) 7.011 7.634 ( -4.642 1.046 3.488) 5.900 7.734 ( 1.968 -5.080 -0.803) 5.507 7.810 ( 5.635 0.235 4.012) 6.921 7.906 ( -0.225 -1.552 -0.663) 1.702 8.084 ( -1.419 -3.738 -6.292) 7.455 8.172 ( 6.947 -7.399 -7.652) 12.711 8.207 ( -0.640 -3.233 -3.160) 4.566 8.705 ( -0.683 -6.527 -12.134) 13.795 8.746 ( -2.061 2.688 3.776) 5.072 8.906 ( -2.941 -2.618 1.571) 4.239 9.134 ( -4.582 1.865 -11.485) 12.505 9.218 ( 1.426 0.474 -3.594) 3.895 9.357 ( -1.901 -1.436 1.817) 2.996 9.564 ( -1.071 -4.330 12.651) 13.414 9.665 ( 0.622 3.074 4.736) 5.680 10.013 ( 2.465 0.383 6.968) 7.401 10.826 ( 0.379 5.552 1.419) 5.743 10.860 ( -1.163 0.417 2.303) 2.613 10.966 ( -4.335 3.216 1.711) 5.663 11.073 ( 4.789 1.622 3.563) 6.186 11.219 ( -3.498 2.030 -2.380) 4.692 11.292 ( 1.527 -3.531 -2.960) 4.854 11.496 ( 2.564 -0.178 -0.414) 2.603 11.669 ( -1.195 -0.865 -0.970) 1.765 11.873 ( 3.320 -0.220 7.211) 7.942 11.933 ( 5.847 1.594 5.332) 8.072 12.133 ( -0.988 5.944 -1.887) 6.314 12.245 ( -1.113 6.604 -1.809) 6.937 14.758 ( 3.729 -2.953 -2.203) 5.242 14.953 ( -6.747 1.580 -8.880) 11.264 19.604 ( 3.169 -12.238 3.064) 13.007 19.717 ( 10.706 -12.147 2.389) 16.367 20.841 ( -6.241 1.069 10.113) 11.932 20.876 ( -7.512 1.795 14.989) 16.861 21.314 ( 0.887 -1.073 -0.828) 1.619 21.504 ( 2.910 5.212 2.417) 6.440 21.847 ( 2.540 1.500 -4.309) 5.222 21.904 ( 0.140 -3.382 0.166) 3.389 22.754 ( -3.744 1.075 -1.973) 4.366 22.933 ( -0.749 8.330 -3.123) 8.928 23.113 ( 6.306 4.639 9.967) 12.674 23.328 ( 1.487 -0.854 2.723) 3.218 23.487 ( -2.173 6.338 -0.118) 6.701 24.209 ( -2.545 6.927 -16.610) 18.176 ======================= Grid point 90 (38/96) ======================= q-point: ( 0.17 0.20 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 19.794 13.480 11.164) 26.423 1.626 ( 4.451 18.237 19.557) 27.109 2.123 ( 7.199 -2.820 -15.258) 17.105 2.317 ( 6.366 0.066 3.158) 7.107 2.562 ( -6.624 -4.529 -5.216) 9.571 2.759 ( -7.185 -8.374 2.158) 11.243 2.839 ( 6.205 -15.940 -3.642) 17.489 2.971 ( 10.346 13.895 12.738) 21.503 3.196 ( 3.514 -13.819 8.151) 16.424 3.278 ( -12.481 2.836 -16.562) 20.932 3.512 ( -12.357 4.244 4.948) 13.971 3.621 ( 0.944 -11.986 5.621) 13.272 3.659 ( -7.282 -14.709 3.506) 16.783 3.901 ( -5.925 -4.104 4.956) 8.747 4.000 ( -3.830 -9.906 -3.403) 11.153 4.101 ( 0.606 -3.877 -13.524) 14.082 4.121 ( 11.770 -16.546 8.995) 22.208 4.223 ( 7.482 -1.978 -2.492) 8.130 4.443 ( 2.729 -3.364 1.738) 4.667 4.515 ( 1.862 -0.355 3.414) 3.905 4.692 ( 0.960 -6.766 4.324) 8.087 4.739 ( 3.756 -8.139 -1.505) 9.090 4.952 ( 3.817 -1.948 8.439) 9.465 5.033 ( -2.290 -0.244 -5.581) 6.037 5.060 ( -1.597 -7.463 -3.971) 8.603 5.255 ( -1.302 1.358 -3.959) 4.383 5.336 ( 0.369 1.143 -1.948) 2.289 5.355 ( -4.073 -0.772 -0.855) 4.233 5.443 ( -3.121 -1.597 1.434) 3.788 5.483 ( -5.779 0.380 -3.124) 6.581 5.642 ( 2.510 0.629 -0.211) 2.596 5.658 ( -3.193 -1.905 3.198) 4.904 5.801 ( -4.654 4.527 3.769) 7.508 5.835 ( -0.575 2.179 1.990) 3.006 5.991 ( 10.017 1.584 0.523) 10.155 6.174 ( -7.119 4.068 -6.439) 10.426 6.223 ( -11.124 0.092 3.196) 11.575 6.502 ( 6.630 -3.501 -3.791) 8.401 6.524 ( -7.777 0.408 -8.986) 11.891 6.643 ( -1.934 6.385 -7.131) 9.765 6.761 ( -6.453 0.934 -12.083) 13.730 6.935 ( 5.082 -0.424 2.156) 5.536 6.994 ( -2.168 4.664 -1.103) 5.260 7.172 ( 5.435 -4.098 -0.046) 6.807 7.264 ( 1.337 -3.941 5.586) 6.965 7.469 ( 1.440 -2.964 1.112) 3.478 7.626 ( 0.175 2.445 4.164) 4.832 7.690 ( -2.454 -6.060 0.922) 6.602 7.836 ( -5.056 0.957 1.382) 5.328 7.979 ( -0.534 -5.875 -6.520) 8.793 8.100 ( 15.580 -9.018 -1.118) 18.036 8.253 ( 4.463 -6.590 -1.695) 8.137 8.287 ( 8.505 -4.465 0.425) 9.616 8.532 ( -2.975 -8.398 -14.041) 16.629 8.743 ( -3.261 -1.881 6.416) 7.439 8.874 ( -0.137 1.837 0.713) 1.976 9.024 ( 3.922 3.494 -9.531) 10.882 9.190 ( -2.270 -0.013 -1.232) 2.583 9.362 ( 0.386 0.618 2.297) 2.410 9.561 ( -9.147 0.005 10.131) 13.649 9.735 ( 0.664 -1.692 3.520) 3.961 10.087 ( -1.168 -0.039 3.146) 3.356 10.739 ( -4.700 0.803 2.059) 5.194 10.921 ( -2.752 1.897 2.595) 4.232 11.002 ( 6.505 4.119 1.347) 7.817 11.090 ( -4.618 -0.152 -3.557) 5.832 11.179 ( 1.539 1.768 1.925) 3.034 11.326 ( 3.093 -0.219 -0.995) 3.257 11.523 ( -1.612 0.805 2.848) 3.370 11.671 ( 3.133 -2.424 -1.858) 4.375 11.857 ( -4.092 1.272 1.464) 4.528 12.070 ( 1.579 1.910 -0.693) 2.573 12.125 ( -0.138 6.760 -0.981) 6.832 12.242 ( 2.204 1.615 1.539) 3.136 14.723 ( -6.476 -0.964 -5.575) 8.599 14.860 ( 6.563 -1.354 0.299) 6.708 19.488 ( -8.266 -6.731 -2.475) 10.944 20.079 ( 17.275 -17.289 -5.279) 25.004 20.824 ( -3.589 1.531 5.772) 6.967 20.896 ( -8.579 -1.473 19.504) 21.358 21.275 ( -1.354 0.135 -3.291) 3.561 21.589 ( -5.296 -2.510 1.875) 6.153 21.786 ( 9.020 2.163 0.154) 9.277 22.093 ( 11.321 -0.859 -2.400) 11.605 22.690 ( -3.279 4.516 2.175) 5.990 22.883 ( -0.609 5.343 -3.277) 6.297 23.304 ( 2.734 2.508 6.147) 7.180 23.401 ( 3.007 -2.477 4.904) 6.263 23.436 ( -2.606 8.200 -0.139) 8.605 23.952 ( -5.404 12.241 -15.111) 20.184 ======================= Grid point 91 (39/96) ======================= q-point: ( 0.33 0.20 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 20.353 1.333 10.469) 22.927 1.964 ( 13.804 8.257 10.624) 19.277 2.087 ( 7.976 1.157 -15.834) 17.767 2.191 ( -9.833 2.201 -8.849) 13.410 2.483 ( -11.513 5.185 -5.876) 13.927 2.584 ( 5.025 -4.235 0.974) 6.644 2.774 ( -1.249 -0.847 -13.424) 13.508 2.943 ( -9.717 -8.210 5.610) 13.903 3.214 ( -0.997 -22.886 -0.954) 22.927 3.292 ( -11.720 -0.576 6.145) 13.246 3.509 ( -2.294 -12.572 4.200) 13.453 3.591 ( 7.592 -6.329 5.256) 11.194 3.735 ( -7.585 -11.221 -5.868) 14.761 3.852 ( 9.369 -6.472 2.932) 11.758 3.978 ( -0.199 -8.794 3.899) 9.621 4.065 ( 6.687 -9.432 -4.712) 12.485 4.345 ( 5.292 -2.388 -2.627) 6.373 4.362 ( 5.924 -9.802 12.324) 16.824 4.519 ( 1.836 -2.457 1.346) 3.350 4.647 ( 3.107 0.423 7.609) 8.229 4.661 ( 1.534 -0.850 -2.955) 3.436 4.788 ( -3.712 -8.635 2.002) 9.610 4.930 ( -2.397 1.450 -7.877) 8.360 5.037 ( 2.437 -5.315 -0.197) 5.850 5.081 ( -8.462 1.583 0.234) 8.612 5.129 ( -14.337 1.316 1.824) 14.512 5.182 ( 4.288 -1.252 -0.122) 4.468 5.289 ( 0.883 1.180 -0.340) 1.512 5.351 ( -2.052 -2.411 1.016) 3.325 5.500 ( 2.106 -0.388 3.149) 3.808 5.599 ( -6.149 -0.956 -2.306) 6.636 5.668 ( -1.571 -3.587 -0.945) 4.028 5.778 ( -4.209 2.587 0.552) 4.971 5.781 ( -2.881 3.673 6.581) 8.068 5.954 ( -3.823 2.844 -2.650) 5.453 6.101 ( -14.533 1.845 -2.370) 14.840 6.163 ( 5.967 -2.153 -15.470) 16.720 6.246 ( 5.748 6.221 5.679) 10.197 6.408 ( -6.000 6.795 0.127) 9.066 6.547 ( 0.808 4.763 -3.380) 5.896 6.835 ( 6.828 5.401 3.846) 9.517 6.926 ( 3.081 -0.489 -9.453) 9.954 7.054 ( 3.455 1.148 -0.608) 3.691 7.250 ( 3.665 -1.974 -6.048) 7.342 7.408 ( 2.616 -5.042 0.284) 5.687 7.515 ( 2.988 -3.628 6.773) 8.244 7.628 ( -2.327 -0.095 -1.406) 2.721 7.718 ( 2.872 3.575 4.121) 6.166 7.798 ( 0.334 -0.844 -0.332) 0.966 7.937 ( 0.029 -6.949 -0.062) 6.950 8.220 ( -2.390 -5.393 -7.906) 9.864 8.280 ( 1.977 -10.001 0.862) 10.231 8.429 ( 5.249 -14.101 -5.546) 16.035 8.473 ( 8.026 -4.354 2.553) 9.481 8.742 ( -3.559 -3.905 5.830) 7.868 8.920 ( 1.444 3.420 2.804) 4.652 9.081 ( 2.757 0.608 1.237) 3.082 9.117 ( 1.076 -0.923 -4.011) 4.254 9.421 ( 3.691 2.076 0.552) 4.271 9.450 ( -9.266 0.957 4.321) 10.269 9.748 ( -1.904 -0.686 2.573) 3.274 10.022 ( -5.063 -0.499 -2.440) 5.642 10.693 ( -2.024 -0.743 1.070) 2.407 10.910 ( -1.138 2.863 -0.775) 3.177 10.928 ( -4.299 -1.109 -1.378) 4.649 11.169 ( 5.331 -0.763 2.634) 5.995 11.198 ( -0.315 1.174 2.065) 2.396 11.343 ( -0.501 1.496 -1.159) 1.958 11.512 ( -3.252 2.939 4.459) 6.253 11.718 ( 3.657 -2.774 -2.830) 5.393 11.796 ( -2.023 0.552 -1.426) 2.536 12.055 ( 0.182 2.716 -5.750) 6.362 12.114 ( 0.828 6.665 0.324) 6.724 12.285 ( -0.589 2.407 2.579) 3.577 14.619 ( -1.031 -3.714 -0.973) 3.976 14.981 ( 3.995 -1.248 0.881) 4.277 19.343 ( -3.544 -2.808 -0.845) 4.600 20.206 ( 6.276 -13.593 -11.794) 19.059 20.818 ( -3.227 -0.451 5.856) 6.702 20.912 ( -8.486 1.250 16.643) 18.723 21.246 ( 1.572 1.515 -2.302) 3.173 21.468 ( -4.444 -5.529 -1.818) 7.323 21.996 ( 9.175 3.003 -1.509) 9.771 22.203 ( 4.319 0.692 -7.990) 9.109 22.678 ( -2.169 4.796 6.780) 8.583 22.865 ( 0.903 3.809 -0.660) 3.970 23.336 ( 1.220 4.781 -2.594) 5.575 23.359 ( -2.923 2.341 -3.681) 5.251 23.528 ( -0.360 0.421 9.868) 9.883 23.790 ( 0.239 11.761 -6.420) 13.401 ======================= Grid point 92 (40/96) ======================= q-point: (-0.50 0.20 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( -18.883 2.817 -4.222) 19.553 2.129 ( 10.310 3.038 1.576) 10.863 2.187 ( 10.855 1.008 -10.954) 15.454 2.294 ( -0.535 5.797 -4.169) 7.160 2.391 ( 11.534 2.094 8.678) 14.585 2.613 ( 4.579 6.351 -3.089) 8.417 2.634 ( -3.103 2.545 2.846) 4.920 2.928 ( 4.173 -7.697 -3.700) 9.505 3.039 ( -8.053 -17.783 4.256) 19.980 3.294 ( 1.054 -18.934 -2.681) 19.152 3.480 ( -6.753 -16.018 -2.680) 17.589 3.556 ( -1.242 -11.937 4.853) 12.945 3.683 ( -13.091 1.940 -10.807) 17.086 3.735 ( -3.907 -0.868 -9.819) 10.603 3.998 ( -0.634 -10.339 4.159) 11.162 4.149 ( 4.091 -12.023 0.615) 12.715 4.329 ( 1.802 -4.175 -3.080) 5.492 4.391 ( -6.844 -16.874 -1.182) 18.247 4.531 ( -0.854 -2.631 -1.257) 3.038 4.664 ( -2.109 -6.807 3.709) 8.034 4.726 ( -6.669 -0.306 0.174) 6.678 4.793 ( 4.220 -1.527 2.767) 5.272 4.865 ( -2.107 1.294 -0.558) 2.535 4.944 ( -1.454 -2.442 5.745) 6.410 5.079 ( 0.154 -1.932 -2.901) 3.489 5.142 ( 0.161 -2.024 3.804) 4.312 5.278 ( -3.541 -1.699 0.174) 3.931 5.320 ( -1.163 1.060 2.923) 3.319 5.369 ( 5.562 -2.028 1.074) 6.016 5.372 ( 0.911 -1.272 0.283) 1.589 5.478 ( 1.474 -1.364 0.398) 2.047 5.615 ( 0.841 -1.056 -4.743) 4.931 5.741 ( -3.403 2.976 3.488) 5.710 5.755 ( -4.722 5.599 5.055) 8.900 5.971 ( 4.479 7.153 1.926) 8.656 6.079 ( 7.939 4.147 6.051) 10.809 6.183 ( 3.825 0.931 1.334) 4.156 6.327 ( -0.133 5.983 -2.079) 6.335 6.497 ( 13.662 0.866 -4.453) 14.395 6.673 ( 8.515 10.213 2.411) 13.514 6.805 ( -3.092 2.034 -2.027) 4.220 6.953 ( -0.690 -0.183 0.728) 1.020 7.126 ( 5.332 2.192 -4.522) 7.327 7.159 ( -3.823 -2.551 -6.702) 8.127 7.292 ( -6.212 3.314 -5.812) 9.130 7.532 ( -3.008 1.860 -1.063) 3.693 7.719 ( 2.273 -2.927 -1.444) 3.977 7.791 ( 4.870 -1.246 4.459) 6.720 7.812 ( -2.729 0.362 1.636) 3.202 7.926 ( -0.142 -6.625 0.473) 6.643 8.122 ( 0.407 -9.346 -4.213) 10.260 8.347 ( 0.906 -9.109 4.815) 10.343 8.494 ( 5.146 -19.206 -5.877) 20.733 8.552 ( -3.928 -4.551 4.147) 7.303 8.764 ( 1.418 -0.102 6.023) 6.189 8.932 ( -2.299 1.062 1.071) 2.750 9.052 ( -5.231 1.612 10.392) 11.745 9.223 ( 7.170 -1.575 -8.096) 10.929 9.330 ( -2.619 0.703 1.766) 3.236 9.477 ( 1.145 1.465 -0.567) 1.944 9.730 ( -3.689 -0.089 2.941) 4.719 9.919 ( 0.130 0.277 -5.517) 5.526 10.675 ( -0.892 -1.309 0.297) 1.612 10.808 ( -1.189 -0.168 -4.970) 5.113 10.969 ( 2.293 0.397 3.845) 4.494 11.189 ( -0.865 -0.672 2.738) 2.949 11.291 ( -4.063 3.230 0.272) 5.198 11.307 ( 5.328 -0.391 1.676) 5.599 11.479 ( -4.427 3.906 3.693) 6.963 11.748 ( 1.731 -3.638 -2.623) 4.808 11.757 ( 0.567 0.820 -2.557) 2.744 11.962 ( -1.861 0.462 -10.735) 10.905 12.158 ( 1.676 6.567 2.974) 7.401 12.279 ( -1.817 4.382 1.408) 4.949 14.660 ( 3.703 -2.961 3.854) 6.110 14.988 ( -2.488 -1.052 -2.441) 3.641 19.374 ( 4.223 -3.564 5.115) 7.529 20.123 ( -0.286 -13.273 -16.155) 20.910 20.816 ( -4.147 -1.528 8.556) 9.630 20.908 ( -6.204 4.989 11.418) 13.919 21.279 ( 2.664 2.257 -0.108) 3.493 21.411 ( 0.488 -5.970 -2.233) 6.393 21.991 ( -6.454 3.130 -7.322) 10.250 22.180 ( 6.179 1.308 -10.533) 12.282 22.726 ( -1.886 5.168 9.383) 10.877 22.897 ( 1.538 5.179 1.606) 5.636 23.244 ( -4.367 1.196 -5.817) 7.372 23.332 ( 1.564 3.339 -4.271) 5.642 23.565 ( -3.798 1.724 6.783) 7.962 23.842 ( 8.118 10.249 0.290) 13.077 ======================= Grid point 93 (41/96) ======================= q-point: (-0.33 0.20 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -18.558 16.379 1.526) 24.800 1.897 ( -22.073 17.423 -3.441) 28.330 2.088 ( -8.790 0.454 -9.330) 12.827 2.441 ( 9.545 -3.375 -5.497) 11.520 2.512 ( -10.303 -2.440 -0.716) 10.612 2.754 ( 5.672 0.430 4.013) 6.961 2.827 ( 2.502 0.778 -0.553) 2.678 2.895 ( 8.019 -13.444 3.171) 15.972 3.097 ( -0.564 0.334 4.694) 4.740 3.160 ( 3.400 -10.613 -6.028) 12.670 3.348 ( 0.621 -7.120 -2.573) 7.596 3.416 ( 6.286 -8.517 4.096) 11.351 3.613 ( 1.923 -11.613 3.606) 12.311 3.733 ( 4.605 -2.046 -9.153) 10.448 4.035 ( -4.252 -11.789 -2.165) 12.718 4.173 ( 3.499 -7.588 6.127) 10.362 4.330 ( 0.508 -13.577 2.334) 13.785 4.407 ( 3.448 -8.213 1.522) 9.037 4.465 ( -11.235 -0.280 -0.045) 11.238 4.530 ( -2.334 -4.848 -4.506) 7.018 4.634 ( -2.059 -12.236 -0.346) 12.413 4.772 ( -7.413 -1.009 5.269) 9.151 4.818 ( -1.769 -5.333 -3.251) 6.491 4.962 ( -0.266 0.817 -1.694) 1.900 5.018 ( 6.692 -7.988 -3.537) 11.005 5.159 ( -4.197 -2.807 -0.620) 5.087 5.205 ( 0.434 -3.082 1.745) 3.568 5.360 ( 2.280 0.879 -2.276) 3.339 5.464 ( 0.470 0.423 3.577) 3.632 5.505 ( 1.898 2.616 4.144) 5.255 5.592 ( 1.049 2.611 1.461) 3.171 5.630 ( 1.663 0.313 -1.405) 2.200 5.680 ( 8.491 -0.361 4.674) 9.700 5.878 ( 2.865 3.079 5.984) 7.314 6.011 ( -1.273 5.811 1.495) 6.134 6.261 ( 4.426 4.028 0.744) 6.031 6.283 ( -1.770 2.354 -0.860) 3.068 6.431 ( 13.791 5.597 -3.368) 15.260 6.630 ( 11.566 4.617 -1.950) 12.605 6.692 ( -4.914 0.480 -3.644) 6.137 6.733 ( -2.077 4.415 -6.771) 8.346 6.910 ( -2.551 1.994 -10.251) 10.750 7.054 ( 3.511 -0.859 0.980) 3.745 7.186 ( -3.959 2.956 5.841) 7.651 7.322 ( 10.170 -0.026 7.590) 12.690 7.427 ( -7.560 2.589 -2.024) 8.243 7.673 ( 3.455 -0.330 -5.340) 6.368 7.734 ( -5.862 -2.051 1.930) 6.503 7.873 ( -9.013 -4.416 5.627) 11.506 7.947 ( 7.229 -1.740 -2.587) 7.873 8.192 ( 9.670 -11.307 -4.186) 15.455 8.265 ( -12.145 -15.223 -9.026) 21.464 8.381 ( -5.268 -2.430 2.996) 6.529 8.624 ( 1.089 -9.807 7.574) 12.440 8.819 ( -0.221 2.545 -5.143) 5.743 8.899 ( -1.849 -3.050 5.651) 6.683 9.097 ( -1.097 0.358 10.780) 10.842 9.221 ( 2.492 2.225 -2.517) 4.183 9.394 ( 3.663 -1.968 -1.682) 4.485 9.499 ( 3.424 -0.678 -1.102) 3.661 9.647 ( -6.853 -1.294 2.752) 7.498 9.911 ( 2.210 1.878 -3.662) 4.671 10.660 ( 0.090 -1.191 -0.577) 1.327 10.803 ( 3.615 1.051 -1.397) 4.016 11.056 ( 2.330 -0.287 3.350) 4.091 11.153 ( -6.617 4.829 1.249) 8.286 11.272 ( 2.749 0.695 -0.057) 2.836 11.396 ( 1.614 0.041 1.913) 2.504 11.442 ( -2.449 1.455 5.096) 5.838 11.694 ( -4.949 -0.917 -5.676) 7.586 11.756 ( -0.806 -0.543 -4.630) 4.731 11.821 ( 2.500 -1.797 -7.456) 8.067 12.214 ( 0.012 6.944 2.976) 7.555 12.253 ( -1.000 5.601 0.337) 5.699 14.817 ( 5.894 -0.574 6.045) 8.462 14.877 ( -3.172 -0.229 -4.193) 5.262 19.541 ( 4.848 -8.079 7.355) 11.952 19.882 ( -6.675 -14.322 -19.601) 25.177 20.835 ( -5.102 -1.354 13.096) 14.120 20.900 ( -4.957 6.194 8.458) 11.596 21.320 ( 1.140 4.614 -1.350) 4.940 21.435 ( 4.742 -6.097 -3.114) 8.328 21.758 ( -7.579 0.385 -6.265) 9.841 22.175 ( 1.077 3.427 -6.776) 7.670 22.782 ( -1.737 2.898 9.699) 10.270 22.942 ( 1.415 8.323 1.513) 8.577 23.085 ( -5.326 1.397 -7.452) 9.266 23.307 ( 0.113 0.473 -3.281) 3.317 23.543 ( -3.322 4.530 3.780) 6.771 24.065 ( 13.402 8.028 0.540) 15.632 ======================= Grid point 94 (42/96) ======================= q-point: (-0.17 0.20 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -7.766 25.992 1.600) 27.175 1.373 ( -19.644 25.419 -5.619) 32.612 1.905 ( -3.289 6.557 2.435) 7.729 2.091 ( -27.499 22.152 19.422) 40.300 2.502 ( 2.774 -16.057 -9.651) 18.938 2.750 ( 1.001 -12.283 -3.185) 12.728 2.988 ( 8.374 -5.487 -3.117) 10.486 3.085 ( 5.871 -3.427 -1.380) 6.937 3.187 ( -5.642 -11.538 2.065) 13.009 3.316 ( 11.886 -12.663 10.247) 20.165 3.386 ( 9.607 -2.512 3.348) 10.479 3.535 ( -1.983 -14.743 -4.053) 15.418 3.703 ( 2.430 -4.112 -3.667) 6.022 3.761 ( 8.452 -8.468 -2.927) 12.317 4.070 ( 4.809 -7.664 5.893) 10.798 4.198 ( -12.290 -3.410 -2.078) 12.922 4.260 ( -0.671 -10.234 -4.329) 11.132 4.370 ( -0.549 -11.458 0.738) 11.495 4.437 ( 6.474 -2.999 6.557) 9.690 4.598 ( -3.625 -2.704 -4.072) 6.085 4.637 ( 7.312 -0.679 5.462) 9.152 4.724 ( -4.562 -3.569 -2.388) 6.265 4.848 ( 4.752 -4.475 14.105) 15.542 4.913 ( -1.479 0.810 -5.925) 6.160 5.046 ( -2.295 -4.215 -1.292) 4.970 5.113 ( 0.730 -5.987 -1.380) 6.187 5.171 ( -0.335 -4.962 -2.165) 5.424 5.340 ( -0.895 1.587 -2.986) 3.498 5.446 ( 0.618 3.988 1.155) 4.197 5.576 ( -4.964 2.049 4.277) 6.865 5.668 ( 6.016 -1.385 1.925) 6.467 5.719 ( 5.195 2.174 3.484) 6.622 5.782 ( 3.623 -0.660 -5.652) 6.745 5.949 ( -0.606 2.175 -1.514) 2.719 6.003 ( 3.834 3.784 -1.138) 5.506 6.193 ( -4.970 2.502 -6.819) 8.801 6.364 ( -1.924 1.701 -3.166) 4.077 6.413 ( 2.765 3.138 -5.868) 7.206 6.590 ( 2.826 -1.267 -6.309) 7.029 6.649 ( -0.495 -0.374 1.282) 1.424 6.818 ( 6.913 -4.154 -6.774) 10.532 6.952 ( 7.440 5.339 5.568) 10.717 7.147 ( -6.188 2.315 7.535) 10.021 7.171 ( 4.657 1.372 3.511) 5.992 7.261 ( -4.660 -6.244 -4.702) 9.101 7.587 ( 7.371 -3.744 5.627) 10.001 7.613 ( -8.641 -7.119 -4.233) 11.969 7.699 ( -3.063 1.166 1.612) 3.652 7.820 ( 5.005 0.561 -0.710) 5.086 7.887 ( -9.031 -1.506 -4.533) 10.217 8.075 ( 6.207 -3.062 -7.761) 10.399 8.240 ( -2.144 -11.202 -4.223) 12.162 8.301 ( -4.728 -0.143 -0.744) 4.788 8.717 ( 0.536 -7.846 6.473) 10.186 8.765 ( 4.030 2.585 -8.831) 10.046 8.918 ( -2.014 -3.649 4.701) 6.283 9.188 ( 1.820 -0.952 4.165) 4.644 9.262 ( 2.207 -0.161 -2.272) 3.171 9.400 ( 0.413 -0.891 -2.806) 2.973 9.489 ( -2.614 -4.381 -3.295) 6.073 9.619 ( -1.495 2.663 8.505) 9.036 9.927 ( 0.632 1.408 3.020) 3.392 10.703 ( 4.806 1.332 0.890) 5.066 10.889 ( 4.218 3.721 1.890) 5.934 11.013 ( -6.372 2.326 0.892) 6.842 11.096 ( -5.129 1.662 2.773) 6.063 11.266 ( -0.782 -2.484 -2.092) 3.340 11.370 ( -6.418 -1.748 -4.534) 8.050 11.467 ( 4.008 0.255 -4.364) 5.930 11.617 ( 5.408 3.390 8.020) 10.249 11.709 ( -1.450 -0.820 -1.087) 1.989 11.868 ( 3.367 1.962 0.067) 3.898 12.185 ( -2.611 5.454 -0.657) 6.082 12.265 ( -0.076 7.517 0.733) 7.553 14.763 ( -0.933 -2.545 -4.453) 5.213 15.013 ( 5.617 1.592 0.861) 5.901 19.533 ( -5.340 -10.889 -7.666) 14.348 19.688 ( -0.190 -10.509 2.808) 10.880 20.856 ( -8.291 -1.164 16.040) 18.094 20.885 ( -4.972 5.826 7.935) 11.028 21.297 ( 0.987 3.806 -3.357) 5.170 21.488 ( 1.186 -1.372 -1.023) 2.082 21.696 ( 5.939 -1.068 -1.634) 6.251 22.073 ( -6.993 2.652 -2.773) 7.976 22.841 ( -2.169 -6.570 3.224) 7.633 22.949 ( -0.567 10.526 -1.768) 10.688 22.972 ( 1.049 10.340 0.863) 10.429 23.293 ( 0.557 -1.533 -0.090) 1.634 23.519 ( -2.177 5.934 1.665) 6.536 24.269 ( 9.271 4.287 -7.470) 12.654 ======================= Grid point 95 (43/96) ======================= q-point: ( 0.00 0.30 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 1.667 29.405 -14.852) 32.985 1.750 ( 1.800 11.229 10.140) 15.237 2.006 ( 1.462 -13.950 -7.982) 16.138 2.167 ( 7.622 -3.309 6.882) 10.790 2.352 ( -0.208 -2.823 -0.220) 2.839 2.655 ( -5.802 4.072 20.481) 21.673 2.811 ( -3.234 -17.300 1.488) 17.663 2.893 ( -1.734 -0.313 2.687) 3.213 3.039 ( -0.883 2.018 -3.568) 4.193 3.268 ( -0.185 2.144 -4.839) 5.295 3.388 ( 1.791 -5.918 1.640) 6.397 3.466 ( 6.226 -7.149 8.381) 12.653 3.669 ( 0.860 -2.826 1.619) 3.369 3.794 ( -3.470 -11.867 -6.531) 13.983 3.899 ( 7.763 -3.888 6.846) 11.057 3.907 ( -5.283 -8.334 -4.018) 10.654 4.091 ( 2.013 3.327 1.695) 4.242 4.327 ( -1.274 -4.232 0.415) 4.439 4.360 ( -2.876 -1.820 -5.508) 6.474 4.455 ( -3.565 1.903 -3.715) 5.489 4.528 ( -1.939 -2.928 0.763) 3.594 4.637 ( -2.874 -6.779 -4.221) 8.487 4.848 ( -2.635 -6.998 3.665) 8.327 4.921 ( -3.861 -6.016 4.037) 8.210 5.043 ( 4.264 -5.668 -0.458) 7.108 5.153 ( 5.402 -1.079 3.512) 6.533 5.261 ( 15.372 2.327 4.687) 16.238 5.353 ( 3.318 4.469 0.333) 5.576 5.461 ( -4.511 -1.206 2.317) 5.213 5.583 ( -5.648 -6.767 -8.337) 12.133 5.615 ( 1.452 0.929 -5.637) 5.894 5.692 ( -1.311 -3.115 -2.416) 4.155 5.793 ( 2.400 -1.733 2.232) 3.708 5.862 ( -5.002 -1.473 -0.268) 5.221 6.015 ( -1.897 4.254 -0.039) 4.658 6.182 ( 5.795 -0.150 0.040) 5.797 6.286 ( -6.134 -13.202 -4.441) 15.219 6.430 ( -6.342 0.961 3.706) 7.408 6.537 ( 9.428 -2.535 0.725) 9.790 6.736 ( 3.942 0.126 4.500) 5.983 6.774 ( -0.181 -4.681 -4.645) 6.596 6.921 ( -5.534 -6.276 -3.509) 9.073 7.008 ( 0.373 -2.911 0.479) 2.973 7.063 ( -4.141 -0.685 -3.837) 5.687 7.218 ( 1.824 -2.087 3.162) 4.205 7.424 ( -2.369 -2.278 -4.164) 5.305 7.554 ( 0.351 -7.055 3.939) 8.088 7.699 ( -3.717 1.389 -3.226) 5.114 7.824 ( 0.743 0.779 2.342) 2.577 7.904 ( 3.632 0.507 -4.384) 5.715 7.957 ( 0.151 -7.140 -8.024) 10.742 8.060 ( 4.708 -4.042 -3.449) 7.099 8.158 ( -0.474 -2.597 -4.199) 4.960 8.546 ( 0.504 -8.178 -8.061) 11.494 8.800 ( -4.218 2.578 1.699) 5.228 8.879 ( -0.345 -0.118 0.941) 1.010 9.180 ( -2.607 2.547 -9.289) 9.979 9.261 ( 2.393 2.915 -6.164) 7.227 9.354 ( -1.173 0.832 3.617) 3.892 9.505 ( 0.835 -1.874 8.540) 8.783 9.747 ( -0.740 4.373 4.267) 6.154 10.007 ( 1.952 -0.806 4.887) 5.324 10.862 ( -1.349 -0.062 1.312) 1.883 10.938 ( -1.930 5.685 1.566) 6.204 11.021 ( -3.877 2.480 0.264) 4.610 11.118 ( 6.929 2.495 2.887) 7.910 11.237 ( 4.150 -1.164 0.204) 4.315 11.261 ( -4.969 1.880 -1.636) 5.559 11.484 ( 4.088 -0.897 -2.007) 4.641 11.632 ( -3.647 -2.985 0.362) 4.727 11.888 ( 3.073 1.471 8.599) 9.250 11.966 ( 2.204 1.239 4.603) 5.252 12.262 ( -0.383 7.138 -1.659) 7.338 12.371 ( -2.225 6.087 -2.363) 6.898 14.709 ( 3.082 -1.939 -1.196) 3.833 14.954 ( -5.732 -1.126 -8.219) 10.083 19.388 ( 5.337 -9.872 4.534) 12.104 19.511 ( 2.167 -9.194 1.991) 9.653 20.862 ( -6.673 2.775 11.529) 13.607 20.997 ( -2.832 8.054 2.153) 8.805 21.268 ( 1.281 -3.598 -3.486) 5.171 21.590 ( 2.177 3.150 2.418) 4.529 21.800 ( 5.085 -6.763 -0.782) 8.498 21.878 ( -3.457 1.208 -3.698) 5.205 22.717 ( 0.266 -4.141 3.241) 5.265 23.080 ( -3.877 5.790 -5.157) 8.669 23.236 ( 2.830 7.662 4.921) 9.536 23.321 ( 3.526 1.215 3.505) 5.119 23.665 ( -1.933 10.564 2.206) 10.964 24.307 ( -0.766 3.743 -11.184) 11.819 ======================= Grid point 96 (44/96) ======================= q-point: ( 0.17 0.30 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 12.248 22.342 -4.966) 25.958 1.808 ( 2.108 -11.872 -1.696) 12.177 2.119 ( 9.827 5.047 -0.101) 11.048 2.286 ( 2.909 -2.279 1.130) 3.865 2.400 ( 1.656 -3.791 2.470) 4.819 2.631 ( -3.858 4.244 0.569) 5.764 2.686 ( -5.603 -12.958 -0.871) 14.144 2.903 ( -7.078 -5.118 2.641) 9.125 3.139 ( 1.087 -8.510 2.078) 8.827 3.187 ( -2.791 -7.121 2.491) 8.044 3.468 ( 5.185 7.506 8.499) 12.468 3.544 ( -4.447 -1.524 -8.540) 9.749 3.659 ( -3.232 -2.544 -1.790) 4.486 3.747 ( 2.185 -14.266 1.640) 14.525 3.783 ( 1.522 -7.749 -0.074) 7.897 3.938 ( -8.281 5.291 12.002) 15.512 4.067 ( -6.712 1.455 -7.148) 9.913 4.260 ( 9.713 3.898 -4.702) 11.474 4.403 ( 2.458 -5.184 2.937) 6.445 4.507 ( 3.060 -3.396 8.096) 9.297 4.533 ( -1.095 -7.400 0.927) 7.538 4.614 ( 1.836 0.007 5.460) 5.760 4.876 ( 1.241 -9.287 0.577) 9.388 4.936 ( 2.955 -1.498 8.755) 9.361 5.020 ( -1.099 -1.081 -4.642) 4.892 5.167 ( -0.490 -12.306 -7.343) 14.338 5.318 ( 1.212 2.740 -7.849) 8.401 5.383 ( -8.832 -0.998 -0.346) 8.895 5.426 ( -4.226 -1.352 6.754) 8.080 5.499 ( -0.599 1.813 -5.696) 6.008 5.570 ( -5.956 -5.204 5.820) 9.820 5.678 ( 2.884 2.122 -0.496) 3.615 5.806 ( -4.350 -4.122 3.813) 7.103 5.879 ( -0.197 -1.219 -0.913) 1.536 6.034 ( -9.492 -8.542 -1.236) 12.830 6.056 ( 10.420 2.797 -1.130) 10.848 6.268 ( -3.345 1.524 8.249) 9.031 6.423 ( 4.217 -2.399 -9.824) 10.957 6.512 ( -8.229 -2.692 -11.010) 14.006 6.701 ( -5.238 -1.659 -7.382) 9.203 6.793 ( 6.391 3.645 -0.319) 7.364 6.887 ( 6.072 -6.576 0.395) 8.959 7.021 ( 0.071 -1.186 -0.740) 1.399 7.124 ( 7.163 0.374 1.311) 7.292 7.237 ( -1.981 0.931 -0.128) 2.193 7.398 ( 3.214 -4.935 2.814) 6.527 7.569 ( -1.880 -5.633 1.865) 6.225 7.633 ( 1.679 -2.263 -0.314) 2.835 7.830 ( 1.109 -4.805 -6.583) 8.225 7.888 ( -0.242 0.392 -0.604) 0.760 7.963 ( 4.992 -3.852 -0.930) 6.374 8.121 ( 0.415 -5.776 -1.375) 5.952 8.223 ( 9.808 -2.639 -0.002) 10.157 8.403 ( -1.610 -4.803 -15.911) 16.698 8.718 ( -6.502 -0.690 4.899) 8.170 8.915 ( 3.426 2.172 0.067) 4.057 9.095 ( 1.827 3.566 -6.321) 7.484 9.212 ( -2.718 1.670 -3.045) 4.410 9.389 ( 0.946 1.885 3.951) 4.479 9.548 ( -5.229 -1.002 7.970) 9.585 9.757 ( -1.476 3.004 3.326) 4.719 10.061 ( -0.856 -2.426 1.715) 3.091 10.743 ( -7.235 -0.485 2.670) 7.727 10.964 ( -2.816 2.473 2.321) 4.408 11.034 ( 3.112 -0.198 0.062) 3.119 11.117 ( -4.650 2.462 -5.928) 7.926 11.228 ( 2.643 3.925 1.298) 4.907 11.328 ( 2.694 -0.010 0.678) 2.778 11.527 ( -0.963 -0.223 2.898) 3.062 11.632 ( 4.516 -1.688 0.270) 4.829 11.894 ( -4.572 2.202 2.635) 5.718 12.087 ( 2.062 -0.198 4.499) 4.953 12.266 ( 1.048 7.256 -0.732) 7.368 12.301 ( -1.232 4.453 -1.906) 4.998 14.712 ( -6.534 -0.223 -6.058) 8.913 14.822 ( 5.344 -2.452 -0.041) 5.880 19.373 ( -4.423 -4.977 -0.860) 6.714 19.748 ( 13.609 -15.760 1.275) 20.862 20.844 ( -6.334 2.589 10.163) 12.252 20.981 ( -2.206 6.638 4.695) 8.425 21.256 ( 0.955 -2.196 -2.992) 3.833 21.516 ( -9.731 -4.796 -0.524) 10.861 21.838 ( 9.265 2.612 0.628) 9.647 22.049 ( 13.161 -3.363 -3.658) 14.068 22.740 ( -2.906 0.485 6.152) 6.821 22.962 ( -2.919 2.157 -4.640) 5.891 23.335 ( 1.663 1.885 3.862) 4.608 23.404 ( 2.872 4.044 0.790) 5.023 23.660 ( -1.584 12.146 4.324) 12.990 24.135 ( -4.072 7.304 -11.511) 14.228 ======================= Grid point 97 (45/96) ======================= q-point: ( 0.33 0.30 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 8.629 4.338 -0.950) 9.705 1.878 ( 7.796 -19.858 -3.913) 21.690 2.212 ( 5.747 9.315 -9.873) 14.741 2.344 ( 4.860 3.375 -3.510) 6.880 2.464 ( -0.848 3.247 6.671) 7.467 2.617 ( -0.601 2.292 0.070) 2.370 2.643 ( 2.354 -1.274 1.537) 3.086 2.765 ( -3.818 -10.119 1.315) 10.895 3.020 ( -6.324 -12.304 -3.884) 14.368 3.119 ( -7.456 -0.521 -2.975) 8.044 3.354 ( -5.710 -7.259 -1.776) 9.405 3.538 ( -7.403 3.155 3.868) 8.929 3.641 ( 2.157 -1.252 -3.971) 4.689 3.744 ( 2.153 -3.496 0.503) 4.137 3.869 ( -4.131 -2.570 1.354) 5.050 3.892 ( 4.022 -8.438 0.106) 9.348 4.081 ( 1.154 -9.891 6.478) 11.880 4.294 ( -1.798 -6.019 -5.451) 8.317 4.463 ( 3.927 -7.552 -2.120) 8.773 4.533 ( 1.069 -6.485 6.999) 9.601 4.703 ( 5.274 1.448 10.726) 12.040 4.799 ( 4.377 0.070 6.862) 8.140 4.884 ( 0.711 -2.751 6.159) 6.783 4.925 ( -0.789 -2.220 -7.270) 7.642 5.065 ( -10.325 -6.320 -0.341) 12.111 5.118 ( -6.607 -1.307 -1.122) 6.828 5.166 ( 7.587 -1.917 -1.792) 8.028 5.271 ( -4.179 -2.271 -3.956) 6.186 5.327 ( -6.481 -0.919 2.096) 6.873 5.441 ( -0.129 -3.988 -3.694) 5.438 5.545 ( -4.567 -2.909 8.416) 10.007 5.645 ( -4.833 1.584 -4.128) 6.551 5.789 ( -7.051 -3.332 6.585) 10.207 5.826 ( 3.114 1.220 5.746) 6.649 6.021 ( 3.081 4.545 1.579) 5.713 6.094 ( -10.051 0.161 -9.883) 14.097 6.157 ( 2.916 0.452 -11.801) 12.165 6.340 ( 7.288 4.161 2.360) 8.717 6.472 ( -4.178 -0.007 0.589) 4.220 6.630 ( 6.123 2.905 2.666) 7.283 6.881 ( 1.009 -2.427 -2.708) 3.773 6.904 ( 1.518 -0.930 -1.609) 2.400 7.093 ( 8.230 3.057 -3.952) 9.628 7.221 ( 1.469 -1.087 -3.578) 4.018 7.305 ( 7.026 -3.697 -0.518) 7.956 7.457 ( -0.522 -3.605 5.318) 6.446 7.567 ( 1.497 -4.518 -0.968) 4.856 7.743 ( 5.649 -2.930 3.020) 7.044 7.798 ( 3.950 -1.801 -7.826) 8.949 7.883 ( -1.894 1.028 2.329) 3.173 7.996 ( -2.290 -12.304 -3.426) 12.976 8.115 ( 1.077 -7.128 1.189) 7.306 8.222 ( -0.733 -3.997 -10.555) 11.310 8.432 ( 7.202 -1.882 3.030) 8.037 8.676 ( -3.339 -2.908 6.798) 8.113 8.988 ( 2.556 3.247 -0.171) 4.136 9.115 ( -3.208 1.596 3.624) 5.096 9.118 ( 3.532 1.134 -6.036) 7.085 9.468 ( 3.287 2.448 0.759) 4.169 9.480 ( -6.620 2.130 4.693) 8.389 9.754 ( -2.187 1.049 3.108) 3.943 9.996 ( -4.113 -2.175 -3.610) 5.888 10.666 ( -3.804 -2.031 2.459) 4.964 10.915 ( -5.517 -0.216 -3.721) 6.658 10.956 ( -0.692 2.139 -0.222) 2.259 11.124 ( 1.038 -2.882 2.504) 3.956 11.213 ( -1.184 0.112 -0.122) 1.196 11.397 ( 2.611 4.037 1.594) 5.066 11.555 ( 0.498 1.279 1.133) 1.779 11.695 ( 1.389 0.490 -0.345) 1.513 11.825 ( -3.343 1.859 -0.337) 3.840 12.094 ( -1.074 0.956 -4.805) 5.016 12.250 ( 0.398 6.837 0.184) 6.851 12.334 ( 0.609 3.010 3.951) 5.005 14.584 ( -1.686 -0.134 -1.087) 2.010 14.934 ( 3.668 -3.417 1.203) 5.155 19.295 ( -1.748 -1.997 -0.804) 2.772 19.912 ( 5.967 -15.294 -6.761) 17.754 20.825 ( -5.314 2.107 8.829) 10.518 21.001 ( -2.318 5.993 7.464) 9.849 21.257 ( 1.757 -1.188 -1.948) 2.880 21.359 ( -5.265 -4.921 -0.657) 7.237 22.032 ( 11.439 0.562 -4.547) 12.322 22.192 ( 4.535 -1.419 -6.050) 7.693 22.732 ( -3.838 1.170 7.787) 8.760 22.910 ( -0.095 -0.095 0.083) 0.158 23.340 ( -1.692 -0.145 -2.057) 2.668 23.445 ( 2.197 6.389 -2.563) 7.226 23.687 ( -2.061 11.483 7.203) 13.711 23.994 ( -0.459 9.178 -6.002) 10.976 ======================= Grid point 98 (46/96) ======================= q-point: (-0.50 0.30 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( -1.980 5.969 0.668) 6.324 1.975 ( 7.363 -25.400 -2.970) 26.611 2.241 ( 6.049 6.939 -6.579) 11.315 2.306 ( -5.058 -2.634 -8.261) 10.038 2.452 ( 0.033 -8.294 -1.082) 8.364 2.616 ( 1.118 8.424 -1.301) 8.597 2.788 ( 2.061 -2.897 3.287) 4.842 2.796 ( 4.776 2.219 3.857) 6.528 2.893 ( -2.742 -4.027 -1.230) 5.025 3.028 ( 2.217 0.982 1.608) 2.910 3.268 ( 1.437 -1.138 -1.369) 2.288 3.436 ( -7.024 0.322 4.316) 8.250 3.687 ( 4.045 -1.944 -5.620) 7.192 3.707 ( -4.010 -3.015 -13.703) 14.593 3.835 ( 1.011 -5.846 3.680) 6.981 3.919 ( -0.865 -8.823 3.304) 9.461 4.063 ( -6.621 -14.762 3.384) 16.529 4.233 ( 1.512 -6.787 -3.753) 7.902 4.482 ( -0.467 -6.763 -1.534) 6.950 4.518 ( -4.724 -2.605 -2.046) 5.770 4.722 ( -14.138 -6.809 -0.429) 15.699 4.778 ( -1.010 -0.883 1.553) 2.052 4.857 ( -0.769 1.886 5.055) 5.450 4.919 ( -0.018 -4.395 1.823) 4.758 4.965 ( -3.514 -9.679 -2.723) 10.651 5.043 ( -5.933 -5.885 -11.231) 13.999 5.244 ( -0.199 -0.008 0.045) 0.204 5.270 ( 4.558 -5.504 1.852) 7.382 5.314 ( 1.311 -4.177 5.930) 7.371 5.382 ( 5.240 -0.962 2.415) 5.850 5.432 ( -5.845 -0.222 1.114) 5.954 5.612 ( 2.789 1.223 -1.342) 3.328 5.793 ( 0.437 2.319 10.048) 10.321 5.851 ( -10.451 2.476 3.668) 11.349 6.083 ( 5.802 0.107 4.432) 7.302 6.164 ( 11.404 8.430 5.580) 15.240 6.182 ( 4.942 0.482 -0.457) 4.987 6.384 ( 0.083 0.264 -1.655) 1.678 6.545 ( 10.704 3.884 -4.244) 12.152 6.811 ( -0.861 -0.490 -3.536) 3.672 6.855 ( 5.239 7.366 8.792) 12.610 6.936 ( 2.422 -1.105 1.907) 3.274 7.101 ( -5.567 -1.917 -9.662) 11.315 7.199 ( 2.800 3.506 -1.259) 4.660 7.294 ( -4.483 -3.425 -3.346) 6.559 7.519 ( 1.963 -3.258 -1.458) 4.074 7.625 ( 7.727 -4.941 -2.001) 9.388 7.782 ( -0.111 -0.413 -3.059) 3.088 7.793 ( -6.842 -4.873 3.712) 9.184 7.887 ( -2.106 2.279 4.622) 5.567 7.929 ( 7.347 -8.295 -12.869) 16.982 8.124 ( -2.254 -12.855 0.220) 13.053 8.205 ( 4.969 -7.646 0.413) 9.128 8.494 ( -4.902 -2.255 6.167) 8.195 8.753 ( 3.353 -0.751 6.962) 7.764 8.951 ( -3.690 0.514 -1.666) 4.081 9.100 ( -2.693 2.868 8.059) 8.968 9.213 ( 9.659 0.239 -7.768) 12.397 9.377 ( -5.017 3.401 1.911) 6.356 9.513 ( -0.563 2.102 -0.868) 2.343 9.723 ( -5.532 -0.606 3.108) 6.374 9.923 ( 2.592 0.166 -4.775) 5.435 10.633 ( -1.645 -2.801 1.087) 3.426 10.805 ( -0.252 0.124 -5.215) 5.222 10.974 ( 1.055 -0.361 2.097) 2.375 11.168 ( 2.507 -1.388 3.589) 4.593 11.259 ( 2.832 -1.148 3.372) 4.551 11.404 ( -2.823 5.501 0.011) 6.183 11.544 ( -2.963 2.708 1.440) 4.265 11.697 ( 0.595 -1.529 -2.223) 2.763 11.779 ( -0.044 1.173 -1.555) 1.948 11.958 ( -4.960 -0.974 -11.180) 12.269 12.296 ( 2.117 7.136 3.227) 8.113 12.365 ( -0.954 4.530 2.939) 5.484 14.636 ( 4.693 0.213 5.041) 6.891 14.947 ( -2.228 -3.068 -1.557) 4.099 19.314 ( 2.547 -2.575 2.551) 4.430 19.849 ( -2.134 -13.970 -12.584) 18.923 20.821 ( -4.327 2.000 9.352) 10.496 21.026 ( -2.490 6.619 6.624) 9.689 21.275 ( 1.388 -5.683 -1.072) 5.948 21.324 ( 1.315 -0.007 1.019) 1.664 22.049 ( -7.995 2.628 -7.884) 11.532 22.178 ( 9.833 -1.467 -11.808) 15.436 22.759 ( -5.287 -1.255 11.532) 12.748 22.948 ( 2.478 -0.780 3.045) 4.002 23.263 ( -1.891 2.888 -5.374) 6.387 23.428 ( -0.055 6.356 -5.233) 8.234 23.704 ( -3.215 10.345 6.458) 12.612 24.026 ( 6.847 8.500 -0.529) 10.927 ======================= Grid point 99 (47/96) ======================= q-point: (-0.33 0.30 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( -6.845 18.244 -0.180) 19.486 2.009 ( -1.903 -14.627 -8.739) 17.144 2.095 ( -5.398 -7.110 -9.096) 12.745 2.310 ( 0.521 3.687 5.318) 6.492 2.443 ( -3.875 -1.292 -1.267) 4.277 2.557 ( -2.629 -9.903 -2.342) 10.510 2.721 ( -0.703 -9.935 -3.402) 10.525 2.925 ( 3.509 -7.689 4.004) 9.352 3.027 ( 3.823 2.810 4.381) 6.458 3.110 ( 7.082 7.561 3.078) 10.807 3.315 ( -8.321 10.852 0.992) 13.711 3.387 ( 0.391 -3.820 -4.937) 6.254 3.514 ( 12.189 4.878 -1.204) 13.184 3.725 ( 1.615 -1.347 -7.127) 7.431 3.832 ( -2.642 -5.665 2.732) 6.822 3.984 ( -1.631 -15.201 2.906) 15.562 4.060 ( 8.928 -6.519 4.803) 12.053 4.254 ( -0.556 -8.066 -2.589) 8.490 4.404 ( -10.201 -7.857 -3.180) 13.263 4.474 ( -2.070 -4.701 -0.490) 5.160 4.494 ( 2.779 -2.491 1.991) 4.230 4.635 ( -4.445 -8.202 -7.526) 11.986 4.803 ( -4.762 -0.181 4.662) 6.667 4.883 ( 0.873 -5.021 -3.466) 6.163 4.941 ( 0.175 -12.189 -2.209) 12.389 5.014 ( 0.485 0.589 3.945) 4.019 5.192 ( -4.547 -3.190 -2.398) 6.050 5.308 ( 5.400 -2.329 0.796) 5.935 5.470 ( 4.500 -1.123 -0.767) 4.701 5.502 ( 8.787 -5.217 2.940) 10.634 5.581 ( 5.710 -4.301 6.224) 9.479 5.641 ( 0.531 1.161 2.543) 2.846 5.726 ( -2.942 4.056 4.283) 6.592 5.893 ( -1.835 -1.127 6.946) 7.273 6.123 ( -2.290 5.580 0.637) 6.065 6.243 ( 3.312 -1.384 2.074) 4.146 6.328 ( -2.233 0.494 -2.456) 3.356 6.484 ( 11.189 0.290 -2.004) 11.371 6.681 ( -6.303 0.902 -5.667) 8.524 6.742 ( 3.163 2.248 -1.802) 4.279 6.790 ( -5.361 1.581 3.095) 6.389 6.902 ( -5.199 -0.960 -7.965) 9.560 7.098 ( 7.288 5.336 -2.377) 9.340 7.190 ( -2.915 -0.845 2.344) 3.835 7.283 ( 2.891 -4.186 4.804) 6.997 7.464 ( -6.129 0.182 0.260) 6.137 7.634 ( -8.827 -7.042 -0.649) 11.310 7.697 ( 5.830 1.829 -7.147) 9.403 7.827 ( -2.311 -1.206 4.215) 4.956 7.888 ( 5.274 -7.305 0.134) 9.010 7.964 ( 2.234 -4.863 -5.993) 8.035 8.057 ( 0.494 -6.757 -4.425) 8.092 8.341 ( 6.155 -4.063 0.029) 7.375 8.441 ( -6.750 -6.874 8.667) 12.959 8.857 ( -0.788 0.966 -2.461) 2.759 8.870 ( -1.028 -0.112 5.115) 5.218 9.139 ( 0.177 3.518 5.852) 6.830 9.269 ( 3.017 2.644 -5.154) 6.531 9.388 ( 2.786 0.642 1.311) 3.145 9.481 ( 1.198 -0.998 -4.447) 4.712 9.629 ( -6.607 -0.710 5.149) 8.406 9.945 ( 2.026 1.608 -2.690) 3.732 10.638 ( 2.034 -1.045 0.442) 2.329 10.820 ( 5.144 0.729 -1.756) 5.485 11.030 ( 2.397 -2.089 1.796) 3.652 11.254 ( -3.845 5.238 1.963) 6.787 11.301 ( 1.978 2.139 -1.419) 3.241 11.385 ( 3.074 -0.665 2.907) 4.283 11.480 ( -6.248 2.088 3.637) 7.525 11.673 ( -2.747 -1.727 -1.623) 3.628 11.723 ( -3.510 -2.049 -10.176) 10.958 11.810 ( 3.750 0.200 -1.786) 4.159 12.350 ( -1.862 6.657 1.261) 7.027 12.372 ( 1.345 6.521 2.794) 7.221 14.803 ( 1.598 -0.832 2.665) 3.217 14.867 ( 1.728 -0.759 0.279) 1.908 19.402 ( 1.785 -6.031 4.007) 7.458 19.619 ( -7.289 -12.403 -13.172) 19.506 20.843 ( -4.127 1.959 11.022) 11.931 21.036 ( -2.328 7.575 4.865) 9.299 21.294 ( 1.625 -6.475 -1.930) 6.949 21.396 ( 4.885 1.496 1.087) 5.223 21.795 ( -8.048 2.623 -7.528) 11.328 22.211 ( 2.905 0.478 -8.126) 8.643 22.720 ( -7.903 -7.257 8.213) 13.512 23.050 ( 3.956 1.973 4.415) 6.248 23.191 ( -0.579 8.354 -3.860) 9.221 23.349 ( -2.229 4.565 -5.890) 7.778 23.696 ( -2.974 9.898 4.289) 11.189 24.197 ( 10.255 5.737 -0.636) 11.768 ======================= Grid point 100 (48/96) ======================= q-point: (-0.17 0.30 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( -1.109 21.948 -1.407) 22.021 1.801 ( -11.228 16.240 -11.704) 22.952 1.969 ( 5.080 -8.083 -1.227) 9.625 2.149 ( -5.665 -8.562 -9.380) 13.907 2.441 ( -8.353 -2.238 1.922) 8.859 2.522 ( -2.781 0.556 19.235) 19.443 2.782 ( 5.424 -14.458 0.996) 15.474 2.909 ( -6.187 -12.930 5.872) 15.490 3.160 ( 2.129 3.599 5.033) 6.544 3.233 ( 3.819 14.067 -3.973) 15.108 3.285 ( 0.733 -7.941 -3.976) 8.911 3.387 ( 4.460 1.362 -0.354) 4.676 3.625 ( 0.965 -1.413 3.807) 4.173 3.695 ( 7.091 -2.935 -5.079) 9.203 3.901 ( -3.074 -14.061 -0.079) 14.393 3.986 ( 1.935 -8.630 0.714) 8.873 4.093 ( -5.317 -6.506 -3.458) 9.086 4.242 ( 2.938 -5.862 5.877) 8.805 4.413 ( 7.948 -2.398 -2.128) 8.571 4.515 ( -0.485 -7.625 -6.475) 10.015 4.557 ( 6.847 -5.602 5.367) 10.347 4.655 ( 0.357 -2.314 2.040) 3.105 4.798 ( 6.428 -2.008 7.579) 10.138 4.898 ( 0.356 -7.586 -0.774) 7.634 4.925 ( 0.706 -6.242 1.695) 6.506 5.016 ( -2.322 1.164 0.281) 2.613 5.119 ( 0.082 -1.431 -2.623) 2.989 5.388 ( 0.920 2.602 -3.479) 4.440 5.522 ( 1.671 2.526 1.308) 3.299 5.594 ( -7.860 0.251 4.379) 9.001 5.642 ( 4.908 -1.257 -0.314) 5.076 5.686 ( 8.128 -8.510 -5.727) 13.087 5.788 ( -1.311 2.479 0.787) 2.913 5.920 ( 1.894 -6.127 1.812) 6.664 6.032 ( -4.372 0.478 2.370) 4.996 6.200 ( -4.110 -0.197 -6.603) 7.780 6.398 ( 0.109 -1.117 3.227) 3.417 6.434 ( -4.463 1.993 -2.639) 5.555 6.570 ( -2.193 -0.390 -5.005) 5.478 6.632 ( -1.234 -0.568 0.920) 1.640 6.742 ( 2.807 -4.499 -4.260) 6.801 6.961 ( 0.903 -6.868 4.964) 8.522 7.062 ( -2.586 -0.988 -2.046) 3.443 7.166 ( -5.010 0.236 2.419) 5.569 7.302 ( -5.324 3.494 -1.860) 6.634 7.432 ( -1.342 -10.139 2.441) 10.514 7.511 ( 2.064 -3.966 -1.813) 4.824 7.750 ( 2.211 3.442 -2.874) 4.999 7.823 ( 1.810 -0.247 -0.221) 1.840 7.863 ( -2.157 -1.201 -2.176) 3.291 8.013 ( 3.798 -4.964 -1.777) 6.497 8.040 ( 1.898 -6.362 -8.213) 10.561 8.285 ( -8.313 -2.074 -0.131) 8.568 8.520 ( 5.912 -9.501 -0.102) 11.191 8.814 ( -1.046 0.817 1.793) 2.231 8.900 ( -1.252 1.394 1.475) 2.384 9.220 ( 4.421 3.387 0.157) 5.572 9.280 ( 1.173 1.820 -2.953) 3.661 9.394 ( 0.200 -0.289 -5.960) 5.970 9.432 ( -2.154 -1.519 0.819) 2.760 9.668 ( 2.034 2.024 8.151) 8.641 9.953 ( 0.113 1.306 1.575) 2.049 10.734 ( 6.903 1.846 1.450) 7.291 10.943 ( 7.469 1.950 1.846) 7.937 11.063 ( -3.112 1.548 0.717) 3.549 11.126 ( -6.812 1.674 1.209) 7.118 11.239 ( -5.396 0.586 -2.823) 6.118 11.357 ( -5.043 0.086 -2.106) 5.466 11.463 ( 4.322 -0.375 -5.775) 7.222 11.677 ( -0.991 -2.560 0.734) 2.842 11.688 ( 4.489 3.494 8.516) 10.241 11.891 ( 3.981 0.564 1.510) 4.295 12.305 ( -2.427 6.751 -0.786) 7.217 12.405 ( -0.329 6.564 0.711) 6.611 14.722 ( -1.987 -1.546 -3.433) 4.257 15.014 ( 4.323 -1.160 0.239) 4.483 19.339 ( -4.261 -8.992 -3.562) 10.568 19.502 ( -0.612 -8.501 2.137) 8.787 20.865 ( -5.576 2.183 11.888) 13.311 21.029 ( -2.742 8.534 3.155) 9.502 21.283 ( 0.887 -4.162 -4.116) 5.920 21.512 ( 5.403 2.525 0.336) 5.973 21.679 ( 2.182 -1.329 -2.252) 3.406 22.097 ( -9.311 0.262 -2.757) 9.714 22.684 ( -0.762 -8.739 2.631) 9.158 23.150 ( 1.453 9.214 1.473) 9.443 23.177 ( 0.588 10.460 1.336) 10.561 23.255 ( -0.942 -1.521 -2.757) 3.286 23.681 ( -2.215 9.752 2.647) 10.345 24.337 ( 6.520 2.886 -5.702) 9.130 ======================= Grid point 101 (49/96) ======================= q-point: ( 0.00 0.40 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -3.622 -26.939 -3.708) 27.433 1.873 ( 3.363 9.023 -14.412) 17.333 1.896 ( 10.097 -1.992 -0.183) 10.294 2.203 ( -4.282 -6.753 5.139) 9.505 2.399 ( 5.096 12.837 4.069) 14.399 2.553 ( 0.006 -4.746 5.517) 7.277 2.694 ( -4.140 6.172 12.072) 14.176 2.898 ( 1.701 0.591 3.362) 3.814 3.130 ( -1.375 -0.472 -8.456) 8.580 3.291 ( -4.300 0.158 -4.513) 6.236 3.395 ( 2.844 2.523 -4.402) 5.816 3.487 ( -2.603 5.067 6.120) 8.361 3.565 ( -3.646 -3.713 2.349) 5.709 3.613 ( -4.730 -12.072 -1.496) 13.052 3.773 ( 1.909 -2.451 -0.966) 3.253 3.952 ( 10.021 11.914 5.247) 16.429 4.075 ( 3.197 -4.328 1.614) 5.618 4.228 ( -0.734 -5.438 0.240) 5.492 4.385 ( 5.000 3.539 7.645) 9.797 4.456 ( -3.462 -0.584 8.197) 8.917 4.477 ( 0.548 -0.694 -0.622) 1.081 4.610 ( -1.645 -7.783 4.775) 9.278 4.658 ( -1.321 0.358 -14.430) 14.495 4.873 ( -0.966 -3.423 -1.480) 3.853 4.932 ( 0.287 -4.310 1.647) 4.623 5.084 ( 0.957 -5.526 3.580) 6.653 5.270 ( 6.858 -5.739 0.546) 8.959 5.319 ( 3.904 -6.560 -5.244) 9.261 5.449 ( 1.368 3.155 3.363) 4.810 5.547 ( -3.599 1.785 4.152) 5.777 5.605 ( 1.875 -3.024 0.816) 3.650 5.645 ( -3.358 0.295 -7.108) 7.867 5.715 ( -2.204 -5.960 5.633) 8.492 5.834 ( -3.331 -1.583 -0.660) 3.747 5.991 ( -14.087 -6.206 -0.090) 15.393 6.109 ( 3.824 2.959 0.375) 4.850 6.245 ( 5.111 1.302 -1.431) 5.465 6.412 ( -6.064 -5.408 2.192) 8.416 6.480 ( 1.873 -2.066 -1.966) 3.412 6.611 ( -0.050 -7.665 -0.439) 7.678 6.765 ( 4.407 4.303 5.404) 8.194 6.895 ( -6.074 0.645 -6.008) 8.568 6.954 ( 2.165 -1.770 -3.748) 4.676 7.020 ( -1.114 -4.686 -4.311) 6.464 7.187 ( 4.751 -1.272 -2.165) 5.374 7.370 ( -2.565 -2.919 2.314) 4.523 7.476 ( -0.621 -1.280 1.447) 2.029 7.730 ( -5.250 1.524 -4.922) 7.356 7.790 ( 2.768 -3.251 -6.346) 7.649 7.893 ( 0.891 0.043 -2.277) 2.445 7.918 ( 1.794 0.015 -3.292) 3.749 8.013 ( 3.082 -0.509 0.042) 3.124 8.103 ( -0.474 -3.053 -1.845) 3.598 8.428 ( 3.368 -3.927 -10.563) 11.762 8.845 ( -3.257 2.010 2.409) 4.523 8.883 ( -1.341 0.060 0.795) 1.560 9.222 ( -1.037 1.663 -9.212) 9.418 9.302 ( 3.600 1.180 -10.421) 11.088 9.381 ( -2.524 1.563 8.417) 8.926 9.483 ( 1.035 -0.658 5.728) 5.858 9.814 ( 0.437 2.507 4.633) 5.286 9.990 ( 0.469 -0.807 2.272) 2.456 10.859 ( -3.258 -0.223 -0.295) 3.279 11.029 ( -3.109 3.486 1.406) 4.878 11.061 ( -2.320 1.670 -0.221) 2.867 11.154 ( 7.314 1.371 3.324) 8.150 11.231 ( 5.789 0.169 1.534) 5.991 11.307 ( -3.892 2.578 -0.501) 4.696 11.469 ( 4.374 -0.504 -2.964) 5.308 11.562 ( -5.572 -3.964 1.659) 7.036 11.917 ( 2.298 1.341 9.553) 9.917 11.977 ( 0.725 -0.011 5.098) 5.149 12.388 ( -0.531 5.640 -1.681) 5.909 12.459 ( -1.954 2.820 -2.306) 4.134 14.686 ( 2.121 -0.573 -1.070) 2.443 14.925 ( -4.648 -1.562 -7.523) 8.980 19.240 ( 5.726 -5.362 4.989) 9.297 19.374 ( -0.820 -4.932 1.620) 5.255 20.935 ( -3.425 4.433 6.166) 8.330 21.141 ( -0.872 2.716 -2.910) 4.075 21.209 ( -0.767 1.735 -0.015) 1.898 21.575 ( -3.367 -6.203 -2.895) 7.629 21.704 ( 9.121 -1.173 3.349) 9.787 21.892 ( -3.535 0.378 -4.144) 5.460 22.637 ( 2.065 -3.435 7.107) 8.159 23.130 ( -5.144 0.334 -5.748) 7.721 23.368 ( 0.712 5.318 2.465) 5.905 23.384 ( 4.507 4.118 3.473) 7.023 23.840 ( -1.225 6.982 2.760) 7.607 24.359 ( -0.303 1.775 -8.055) 8.254 ======================= Grid point 102 (50/96) ======================= q-point: ( 0.17 0.40 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -2.042 -27.014 -3.051) 27.262 1.856 ( 6.704 9.623 -10.162) 15.518 2.112 ( 10.678 -5.926 1.145) 12.266 2.180 ( -1.678 -10.151 1.434) 10.389 2.478 ( 1.005 -0.416 -5.576) 5.681 2.624 ( -1.866 14.375 12.206) 18.950 2.744 ( 1.012 8.110 5.511) 9.858 2.883 ( -5.339 0.433 3.823) 6.580 3.053 ( -3.695 -4.136 0.349) 5.557 3.135 ( -2.454 7.345 -11.615) 13.960 3.436 ( 1.706 -8.793 -0.473) 8.970 3.483 ( 0.334 -6.590 -7.925) 10.313 3.550 ( 0.716 -4.439 1.395) 4.708 3.594 ( 4.345 -0.773 6.587) 7.928 3.775 ( -0.911 2.911 -1.676) 3.480 4.041 ( -6.017 -3.655 0.626) 7.068 4.127 ( -1.875 2.274 1.546) 3.328 4.241 ( -0.102 -6.887 4.695) 8.335 4.382 ( -3.603 8.367 -0.873) 9.152 4.405 ( -4.183 1.047 1.027) 4.432 4.490 ( 0.839 -1.535 7.128) 7.339 4.665 ( 2.428 -5.196 2.364) 6.204 4.750 ( 5.931 5.752 12.631) 15.093 4.888 ( 1.494 -8.676 -5.336) 10.295 4.949 ( 3.611 -1.346 7.304) 8.258 5.014 ( -1.437 -1.717 -9.720) 9.974 5.301 ( -8.027 -6.206 4.885) 11.261 5.344 ( -1.034 -1.947 -2.111) 3.052 5.394 ( -6.690 -1.643 -3.002) 7.514 5.483 ( -3.841 -4.365 4.089) 7.108 5.534 ( -4.356 0.269 -1.988) 4.796 5.629 ( -6.122 -8.940 12.717) 16.707 5.711 ( 1.860 0.566 -0.649) 2.050 5.775 ( -6.381 -4.927 4.615) 9.289 5.954 ( 11.028 -1.533 -3.074) 11.551 6.156 ( 3.160 4.881 -2.950) 6.520 6.295 ( 1.301 2.031 2.728) 3.641 6.401 ( 7.374 -0.800 -11.314) 13.529 6.430 ( -7.171 -3.678 -8.338) 11.596 6.632 ( -4.736 -7.327 -2.035) 8.959 6.728 ( 5.988 -5.358 -2.029) 8.288 6.850 ( 4.857 1.675 -2.440) 5.688 7.013 ( 5.623 0.404 -1.331) 5.793 7.125 ( 7.153 -0.906 1.978) 7.477 7.268 ( -0.175 1.487 0.173) 1.507 7.315 ( 3.425 -2.815 -0.479) 4.459 7.477 ( -2.184 -3.646 3.815) 5.712 7.587 ( -3.337 -1.610 -5.555) 6.677 7.761 ( 3.434 -1.839 -9.825) 10.569 7.910 ( 1.177 0.958 0.676) 1.661 7.939 ( 1.134 0.188 1.716) 2.065 8.041 ( -2.605 -2.679 3.110) 4.862 8.186 ( 9.782 -1.315 -1.515) 9.985 8.339 ( 2.482 -2.135 -16.860) 17.174 8.714 ( -8.754 0.107 2.627) 9.140 8.949 ( 5.120 1.253 -0.209) 5.275 9.150 ( 0.548 2.108 -4.311) 4.830 9.238 ( -2.190 0.884 -5.944) 6.396 9.424 ( 0.077 1.579 6.542) 6.730 9.532 ( -2.166 -0.556 5.710) 6.133 9.819 ( -3.121 3.012 3.501) 5.574 10.005 ( -0.727 -3.018 -0.398) 3.130 10.727 ( -8.637 -0.786 3.134) 9.221 11.007 ( -2.965 1.811 2.109) 4.065 11.038 ( -0.615 0.749 0.060) 0.971 11.148 ( -4.364 0.742 -7.685) 8.869 11.304 ( -3.908 0.942 -1.298) 4.224 11.336 ( 7.327 3.626 3.320) 8.824 11.504 ( 1.483 -2.607 1.311) 3.273 11.612 ( 6.690 -0.281 4.454) 8.042 11.934 ( -5.044 1.883 3.692) 6.528 12.069 ( 0.788 -1.355 7.169) 7.338 12.373 ( -0.178 3.783 -1.417) 4.044 12.396 ( -1.120 4.521 -2.813) 5.441 14.715 ( -4.334 0.532 -5.185) 6.779 14.774 ( 3.083 -2.428 -1.090) 4.073 19.308 ( -1.805 -1.701 -0.238) 2.491 19.506 ( 10.359 -9.349 3.729) 14.444 20.919 ( -4.673 4.933 6.499) 9.402 21.093 ( -0.579 2.779 -2.233) 3.611 21.212 ( -0.357 -0.318 1.639) 1.708 21.417 ( -8.236 -5.521 -2.204) 10.157 21.877 ( 8.980 1.428 -3.093) 9.604 21.982 ( 12.276 -3.202 -0.694) 12.706 22.726 ( -1.867 -1.198 10.016) 10.259 22.971 ( -5.063 -0.434 -5.858) 7.755 23.395 ( -0.275 3.391 1.513) 3.723 23.493 ( 4.159 4.158 1.243) 6.011 23.854 ( -0.934 7.472 4.078) 8.564 24.237 ( -2.907 3.500 -8.643) 9.767 ======================= Grid point 103 (51/96) ======================= q-point: ( 0.33 0.40 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 4.003 -26.551 0.139) 26.851 1.888 ( 4.902 6.249 -6.971) 10.568 2.149 ( -4.278 -13.809 4.442) 15.123 2.284 ( 4.409 -7.282 0.617) 8.535 2.410 ( 3.640 1.427 -13.600) 14.151 2.593 ( -7.274 -5.738 -0.698) 9.291 2.755 ( -3.924 0.836 4.143) 5.767 2.863 ( 1.636 9.931 -5.123) 11.294 3.019 ( 6.079 19.671 2.465) 20.736 3.103 ( 3.173 3.858 -2.314) 5.505 3.401 ( -1.047 2.962 0.062) 3.142 3.487 ( 2.091 -5.020 -4.421) 7.009 3.575 ( 1.503 -4.890 -1.867) 5.446 3.722 ( 0.232 1.212 -1.029) 1.607 3.760 ( 3.238 -3.711 2.992) 5.763 3.944 ( -4.437 -3.064 0.651) 5.431 3.996 ( -12.273 4.356 6.322) 14.476 4.204 ( -12.720 -2.457 1.534) 13.045 4.276 ( 4.232 -8.560 -1.689) 9.697 4.415 ( 2.266 -5.177 1.722) 5.907 4.567 ( -2.354 -9.319 1.513) 9.730 4.774 ( 3.483 -1.024 2.276) 4.285 4.823 ( -1.774 -10.444 0.110) 10.594 4.897 ( -4.144 -1.474 -3.637) 5.707 4.986 ( 0.839 4.445 10.024) 10.997 5.047 ( -0.237 -9.545 -3.439) 10.148 5.141 ( -6.484 -1.352 2.973) 7.260 5.215 ( -3.170 -2.211 -2.522) 4.615 5.301 ( 0.188 -3.013 -5.238) 6.046 5.384 ( -7.512 2.114 1.191) 7.894 5.547 ( -5.694 0.811 11.248) 12.633 5.677 ( -0.317 -3.332 5.106) 6.106 5.727 ( -1.205 2.765 7.503) 8.087 5.820 ( 3.312 -1.582 7.145) 8.033 6.104 ( -6.961 3.814 -2.903) 8.451 6.129 ( 5.118 2.855 -5.442) 7.997 6.171 ( 4.579 1.066 -9.529) 10.626 6.397 ( -1.106 -1.749 0.243) 2.083 6.445 ( 7.104 1.586 -0.468) 7.294 6.653 ( 11.244 -0.415 5.057) 12.336 6.772 ( 2.514 -6.766 -5.701) 9.198 6.884 ( -0.002 -1.169 -0.096) 1.173 7.157 ( 9.007 2.841 -2.522) 9.776 7.204 ( 1.385 -0.300 -3.272) 3.565 7.287 ( 2.178 0.784 -3.947) 4.576 7.378 ( 1.316 -3.577 2.686) 4.663 7.498 ( 2.754 -2.943 -3.959) 5.650 7.552 ( 2.926 -11.374 1.581) 11.851 7.767 ( 7.973 -0.385 -10.338) 13.061 7.904 ( -2.296 1.350 -0.333) 2.684 7.938 ( -4.679 0.629 6.003) 7.637 8.043 ( -0.900 -1.351 2.395) 2.894 8.175 ( -0.876 -1.481 -12.284) 12.404 8.401 ( 7.515 -1.225 1.917) 7.852 8.633 ( -2.896 -1.521 5.984) 6.820 9.033 ( 3.721 1.476 -3.846) 5.551 9.127 ( -6.480 0.367 4.213) 7.738 9.152 ( 4.161 1.440 -4.631) 6.391 9.506 ( -2.717 1.513 2.819) 4.198 9.522 ( 2.206 1.778 3.247) 4.310 9.780 ( -4.219 1.462 2.992) 5.375 9.947 ( -2.130 -2.644 -4.305) 5.482 10.630 ( -5.625 -1.438 4.079) 7.095 10.927 ( -5.411 1.484 -5.129) 7.602 10.991 ( -1.710 1.174 -0.566) 2.150 11.062 ( -1.856 -3.366 2.462) 4.564 11.216 ( -1.429 0.334 0.735) 1.642 11.477 ( 4.707 3.816 0.931) 6.131 11.561 ( 2.543 -0.399 -1.280) 2.875 11.717 ( -0.044 1.213 2.871) 3.117 11.857 ( -4.640 1.340 0.711) 4.882 12.090 ( -1.929 -0.978 -3.220) 3.879 12.351 ( -0.029 3.478 1.759) 3.897 12.399 ( 0.891 3.303 1.707) 3.824 14.604 ( -1.249 1.777 -1.081) 2.427 14.863 ( 3.131 -3.582 1.295) 4.930 19.270 ( -0.459 -0.634 -1.379) 1.585 19.671 ( 5.078 -9.196 -2.607) 10.823 20.892 ( -4.490 4.716 6.336) 9.086 21.085 ( 0.282 0.203 0.474) 0.588 21.204 ( -3.036 -1.121 3.232) 4.574 21.308 ( -0.898 -1.385 -1.097) 1.982 22.017 ( 12.626 -1.714 -10.516) 16.521 22.168 ( 4.628 -0.821 -0.286) 4.709 22.746 ( -5.380 0.684 9.008) 10.515 22.866 ( -1.709 -3.266 -0.735) 3.759 23.381 ( -1.200 3.067 -1.080) 3.466 23.554 ( 2.457 4.405 -2.017) 5.432 23.876 ( -1.683 7.430 5.096) 9.165 24.130 ( -0.328 4.857 -4.907) 6.912 ======================= Grid point 104 (52/96) ======================= q-point: (-0.50 0.40 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 3.192 -25.847 3.751) 26.312 1.909 ( 3.858 3.191 -4.943) 7.036 2.129 ( -2.036 -14.933 4.878) 15.841 2.239 ( -5.684 -2.936 -7.774) 10.068 2.326 ( 2.490 -0.266 -10.545) 10.838 2.519 ( 3.876 -13.552 -4.039) 14.663 2.721 ( -1.808 -2.900 1.653) 3.796 2.982 ( 11.489 13.117 -4.069) 17.905 3.040 ( -7.682 21.098 1.304) 22.491 3.212 ( 10.550 5.835 -1.256) 12.122 3.385 ( -3.902 6.327 0.308) 7.440 3.487 ( 2.589 4.336 0.059) 5.050 3.592 ( 4.544 -5.852 -4.117) 8.477 3.727 ( -6.128 1.357 -7.132) 9.500 3.790 ( 6.256 4.091 2.655) 7.933 3.830 ( -4.157 -0.396 5.853) 7.190 3.913 ( -9.552 0.978 7.765) 12.349 4.062 ( 1.266 -11.048 -0.986) 11.164 4.343 ( 2.491 -8.343 -2.291) 9.003 4.439 ( -3.249 -6.536 -1.079) 7.378 4.521 ( -8.723 -10.924 -2.440) 14.191 4.608 ( -2.923 -16.760 2.545) 17.202 4.744 ( -2.490 -2.415 -4.877) 5.985 4.888 ( -4.996 -2.586 -13.007) 14.171 4.940 ( -4.433 0.450 2.099) 4.925 4.985 ( 2.728 0.649 2.327) 3.644 5.157 ( -1.041 -7.461 -0.933) 7.591 5.182 ( 0.570 -2.492 0.691) 2.648 5.276 ( -4.135 -0.588 2.723) 4.986 5.373 ( 0.266 1.221 10.036) 10.114 5.448 ( -3.503 0.213 0.632) 3.566 5.649 ( -2.423 1.796 -3.285) 4.459 5.779 ( -5.622 -4.263 11.048) 13.109 5.859 ( -3.126 0.416 7.529) 8.163 6.085 ( 7.038 1.497 1.132) 7.284 6.188 ( 1.867 0.256 -2.272) 2.952 6.311 ( 7.135 2.540 3.261) 8.246 6.378 ( 1.552 2.209 2.834) 3.915 6.631 ( 9.877 4.843 -0.797) 11.030 6.803 ( 2.276 -0.059 -1.756) 2.875 6.866 ( 1.199 -3.710 5.084) 6.407 6.985 ( 7.095 3.549 8.984) 11.985 7.099 ( -3.187 2.255 -7.325) 8.300 7.185 ( -5.663 -5.416 -4.963) 9.275 7.265 ( 3.165 2.238 -1.556) 4.177 7.434 ( 3.011 -5.371 -5.705) 8.394 7.540 ( 6.986 -3.746 -2.752) 8.391 7.629 ( 1.938 -8.368 0.801) 8.626 7.796 ( -1.702 1.402 -5.521) 5.946 7.852 ( 7.295 -1.215 -11.312) 13.515 7.926 ( -3.786 1.288 7.318) 8.339 8.013 ( -4.088 -1.049 1.737) 4.564 8.097 ( 2.016 -4.023 -1.909) 4.889 8.462 ( -4.279 -1.138 5.866) 7.349 8.742 ( 5.051 -0.342 7.583) 9.118 8.955 ( -4.151 0.005 -3.757) 5.599 9.147 ( -0.139 1.846 6.139) 6.412 9.218 ( 8.573 0.103 -6.811) 10.950 9.438 ( -4.750 2.526 1.633) 5.622 9.549 ( -2.237 1.544 -1.716) 3.215 9.709 ( -6.662 -0.732 2.618) 7.196 9.925 ( 4.353 -0.000 -3.119) 5.355 10.585 ( -2.198 -1.887 2.462) 3.801 10.815 ( 0.043 0.916 -5.767) 5.840 10.953 ( -0.440 -1.704 1.483) 2.302 11.145 ( 5.723 -0.749 4.371) 7.240 11.256 ( 2.164 0.285 4.394) 4.906 11.497 ( -3.283 3.942 -0.670) 5.173 11.574 ( 0.646 0.453 -1.424) 1.628 11.689 ( -3.404 0.404 0.056) 3.428 11.798 ( -1.050 0.773 -0.751) 1.504 11.929 ( -6.580 -1.788 -11.434) 13.313 12.407 ( 1.957 4.108 4.050) 6.092 12.442 ( 0.547 3.229 3.129) 4.530 14.659 ( 4.614 1.817 4.821) 6.916 14.883 ( -1.647 -3.292 -0.479) 3.712 19.280 ( 1.814 -0.988 0.458) 2.116 19.630 ( -3.254 -8.349 -8.628) 12.440 20.882 ( -3.116 4.202 6.579) 8.405 21.098 ( 0.957 -2.839 -0.043) 2.996 21.201 ( -1.652 2.159 5.317) 5.971 21.324 ( 1.999 -0.702 1.005) 2.345 22.087 ( -7.049 1.388 -8.230) 10.924 22.136 ( 11.414 -2.400 -12.046) 16.768 22.717 ( -10.390 -2.267 11.595) 15.733 22.899 ( 4.790 -2.711 2.519) 6.052 23.347 ( -0.250 4.404 -2.114) 4.892 23.539 ( -0.599 4.554 -4.675) 6.554 23.882 ( -2.723 7.161 4.569) 8.920 24.153 ( 5.389 4.598 -0.708) 7.119 ======================= Grid point 105 (53/96) ======================= q-point: (-0.33 0.40 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -1.589 -26.130 3.908) 26.468 1.890 ( -1.216 -2.171 -8.758) 9.105 2.055 ( -0.103 2.362 -8.777) 9.090 2.202 ( 4.656 -13.805 3.718) 15.036 2.380 ( 5.331 0.508 1.224) 5.493 2.567 ( 3.991 -7.137 -5.142) 9.659 2.683 ( -8.636 4.519 -2.755) 10.128 2.727 ( -9.467 4.403 -2.985) 10.859 3.250 ( -6.452 9.622 3.771) 12.184 3.261 ( 12.901 7.404 -1.436) 14.944 3.402 ( 7.196 6.795 -1.935) 10.084 3.492 ( -0.720 5.217 -2.979) 6.051 3.644 ( -1.806 3.684 6.984) 8.100 3.677 ( 4.406 -4.078 -3.322) 6.861 3.764 ( -4.279 -3.115 3.538) 6.366 3.858 ( 3.023 6.998 5.207) 9.232 4.008 ( 6.749 -0.786 1.499) 6.958 4.138 ( -0.227 -1.370 -1.303) 1.905 4.220 ( -8.740 -11.288 -7.339) 16.052 4.331 ( 3.156 -6.473 -3.339) 7.938 4.407 ( 2.049 -8.191 1.815) 8.636 4.567 ( -6.903 -3.511 -3.368) 8.445 4.661 ( 0.313 -6.355 -6.558) 9.137 4.760 ( 4.015 -7.810 -3.597) 9.490 4.832 ( -5.436 -0.348 -0.018) 5.447 5.053 ( -2.607 -1.205 2.289) 3.672 5.137 ( -0.226 2.440 4.035) 4.721 5.254 ( 5.608 -13.365 -0.854) 14.519 5.298 ( 5.811 -2.526 4.606) 7.834 5.441 ( 0.988 -4.062 -1.673) 4.503 5.528 ( 4.995 -1.893 10.755) 12.009 5.615 ( -1.309 -3.228 4.877) 5.994 5.772 ( -4.131 0.893 8.351) 9.360 5.883 ( -3.115 0.714 4.009) 5.127 6.189 ( 0.887 1.169 -1.885) 2.389 6.226 ( 6.756 -2.352 1.846) 7.388 6.342 ( -6.482 3.032 -0.462) 7.171 6.464 ( 4.222 -1.545 0.892) 4.583 6.689 ( -6.807 -0.628 -6.535) 9.457 6.731 ( -8.746 -0.046 -6.868) 11.120 6.850 ( 0.224 3.062 9.653) 10.130 6.896 ( -6.770 0.598 -4.729) 8.280 7.158 ( 1.624 -2.715 2.575) 4.079 7.198 ( -4.080 -3.433 -4.143) 6.753 7.231 ( 6.487 7.092 -2.213) 9.862 7.413 ( -0.333 -3.844 1.148) 4.026 7.538 ( -10.841 -3.587 0.885) 11.453 7.705 ( 9.669 -4.666 -2.178) 10.955 7.753 ( 5.378 2.113 -7.758) 9.674 7.854 ( -1.182 0.080 -0.824) 1.443 7.933 ( 3.003 -0.769 -4.154) 5.183 7.992 ( -0.469 -0.602 2.702) 2.808 8.204 ( 7.786 -7.480 0.563) 10.812 8.399 ( -7.100 0.006 4.687) 8.507 8.856 ( -3.280 -0.345 -1.511) 3.628 8.884 ( 1.942 0.783 6.327) 6.664 9.209 ( 2.513 3.294 2.432) 4.805 9.308 ( 6.472 1.066 -7.867) 10.243 9.403 ( 0.314 0.772 2.039) 2.203 9.463 ( -2.220 -0.811 -4.698) 5.259 9.619 ( -5.358 -0.307 6.118) 8.138 9.969 ( 1.788 0.893 -1.605) 2.563 10.622 ( 4.075 -0.621 2.203) 4.674 10.831 ( 5.785 0.476 -2.319) 6.251 10.995 ( 2.516 -1.351 0.828) 2.973 11.313 ( 7.712 0.745 -0.179) 7.750 11.359 ( -2.970 3.618 2.380) 5.252 11.386 ( -1.488 0.755 3.446) 3.829 11.508 ( -8.486 0.676 -1.199) 8.597 11.628 ( -1.834 -2.425 -1.495) 3.388 11.699 ( -3.318 -0.506 -6.939) 7.708 11.815 ( 2.853 0.174 -0.052) 2.859 12.453 ( -1.108 3.991 1.560) 4.426 12.481 ( 1.042 4.284 2.656) 5.147 14.789 ( -2.263 -0.559 -0.365) 2.359 14.852 ( 5.296 -0.726 3.737) 6.522 19.321 ( -0.193 -2.327 1.345) 2.694 19.426 ( -6.812 -7.548 -8.418) 13.200 20.901 ( -1.988 3.891 6.748) 8.039 21.124 ( 2.081 -2.711 -0.908) 3.536 21.226 ( -0.953 3.777 4.459) 5.921 21.398 ( 4.000 -1.525 2.361) 4.889 21.839 ( -8.460 1.787 -8.781) 12.323 22.203 ( 5.674 -1.029 -9.589) 11.190 22.584 ( -11.937 -5.759 8.515) 15.753 23.048 ( 6.235 -0.968 4.517) 7.760 23.335 ( 0.345 5.815 -0.760) 5.874 23.450 ( -3.216 4.714 -5.581) 7.982 23.866 ( -2.840 6.877 3.261) 8.124 24.281 ( 7.603 2.966 -0.778) 8.199 ======================= Grid point 106 (54/96) ======================= q-point: (-0.17 0.40 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -0.568 -27.118 0.248) 27.125 1.799 ( 2.999 -0.535 -7.364) 7.969 1.985 ( 0.333 3.992 -10.683) 11.409 2.273 ( -6.720 -9.597 3.895) 12.347 2.352 ( -3.764 10.332 -1.342) 11.078 2.486 ( 1.275 1.150 3.243) 3.669 2.631 ( 1.798 0.802 6.365) 6.662 2.780 ( 5.919 -2.239 1.540) 6.513 3.215 ( 2.147 0.499 -6.060) 6.449 3.331 ( -2.266 1.978 0.801) 3.112 3.432 ( -2.268 14.895 0.621) 15.079 3.554 ( 1.433 -3.671 6.800) 7.859 3.607 ( -9.425 -0.671 2.476) 9.768 3.696 ( -0.795 -3.694 0.225) 3.786 3.746 ( 4.981 12.473 -1.168) 13.481 3.818 ( -7.320 -2.244 -5.322) 9.324 4.028 ( 2.810 -1.102 -5.115) 5.939 4.145 ( 7.589 -1.439 10.024) 12.655 4.267 ( 2.072 -11.334 -3.640) 12.083 4.386 ( 3.696 -4.749 -0.684) 6.056 4.477 ( 4.105 -4.026 0.627) 5.784 4.579 ( 0.148 -9.053 5.413) 10.549 4.718 ( 9.335 -1.851 -6.267) 11.395 4.769 ( 7.798 -3.176 1.601) 8.570 4.856 ( 2.437 -1.969 5.177) 6.051 5.006 ( -0.798 -2.465 -0.405) 2.623 5.171 ( 0.507 3.406 1.733) 3.855 5.330 ( 3.096 -18.937 -1.444) 19.243 5.422 ( 2.107 -2.146 -4.615) 5.508 5.521 ( 7.215 -1.531 3.877) 8.332 5.598 ( -5.126 -0.753 5.609) 7.636 5.680 ( -1.990 3.103 -0.156) 3.690 5.792 ( -2.434 -3.783 -0.302) 4.508 5.867 ( 3.015 2.978 6.469) 7.734 6.035 ( -11.206 -0.719 0.752) 11.255 6.197 ( -2.092 -0.527 -1.960) 2.915 6.324 ( -11.793 -3.401 -0.603) 12.288 6.470 ( 7.732 -6.362 4.751) 11.083 6.530 ( -5.207 2.773 -3.744) 6.988 6.660 ( -12.288 0.424 -2.554) 12.557 6.663 ( 3.724 0.446 -0.495) 3.783 6.900 ( -1.116 1.274 -0.132) 1.699 7.040 ( 0.027 -3.249 -2.521) 4.113 7.142 ( -6.302 -3.169 -4.933) 8.608 7.294 ( -3.866 -2.785 -2.931) 5.594 7.339 ( -5.419 0.244 3.284) 6.341 7.457 ( 3.450 -1.650 0.004) 3.824 7.766 ( 3.304 -4.188 -2.658) 5.960 7.824 ( 2.875 2.644 -5.427) 6.686 7.853 ( 4.482 1.012 -3.562) 5.813 7.959 ( -4.301 0.785 3.066) 5.340 7.979 ( 4.638 -2.235 -6.113) 7.992 8.208 ( -8.604 -5.797 1.567) 10.492 8.403 ( 6.757 -2.672 -4.616) 8.608 8.820 ( -0.699 0.141 2.278) 2.387 8.930 ( -2.385 1.239 3.892) 4.730 9.284 ( 6.262 2.828 -6.630) 9.548 9.319 ( 0.867 1.690 -2.911) 3.476 9.382 ( -0.986 -0.724 -4.818) 4.971 9.424 ( -0.620 0.124 2.965) 3.032 9.694 ( 4.116 0.826 8.216) 9.227 9.974 ( -0.352 0.830 0.913) 1.283 10.768 ( 8.209 1.511 1.802) 8.539 10.970 ( 8.756 0.960 1.150) 8.883 11.050 ( 2.583 -1.431 1.168) 3.175 11.182 ( -10.540 3.052 0.350) 10.979 11.261 ( -8.620 0.867 -4.319) 9.681 11.367 ( -1.578 0.752 -1.767) 2.486 11.469 ( 2.618 1.423 -3.221) 4.388 11.608 ( -1.027 -4.345 1.007) 4.577 11.743 ( 3.871 2.009 9.695) 10.631 11.896 ( 3.922 0.047 2.413) 4.605 12.425 ( -1.863 5.374 -0.622) 5.722 12.498 ( -0.873 2.904 0.312) 3.048 14.706 ( -2.203 -0.247 -2.505) 3.345 14.984 ( 3.170 -1.628 -0.394) 3.585 19.203 ( -4.195 -4.993 -2.178) 6.876 19.375 ( -0.750 -4.613 2.209) 5.169 20.927 ( -2.242 3.964 6.359) 7.821 21.150 ( 1.665 -1.597 -1.383) 2.690 21.237 ( -1.459 5.483 1.269) 5.814 21.521 ( 7.401 -2.798 1.279) 8.015 21.652 ( -3.718 -0.745 -4.720) 6.054 22.096 ( -9.980 -0.184 -3.083) 10.447 22.539 ( 0.896 -5.779 4.549) 7.409 23.194 ( 3.952 -1.413 2.499) 4.885 23.331 ( -3.019 5.955 -3.611) 7.590 23.342 ( 0.222 6.267 1.200) 6.384 23.846 ( -2.050 6.687 2.471) 7.417 24.379 ( 4.667 1.502 -4.314) 6.530 ======================= Grid point 107 (55/96) ======================= q-point: ( 0.00 -0.50 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -5.314 0.000 -0.293) 5.322 1.859 ( 8.204 0.000 -1.869) 8.414 1.926 ( 6.298 0.000 -12.334) 13.849 2.096 ( -6.343 0.000 7.479) 9.806 2.523 ( 0.011 -0.000 -1.771) 1.771 2.589 ( 8.020 0.000 10.284) 13.041 2.854 ( 2.187 0.000 6.068) 6.450 2.873 ( 1.732 -0.000 1.402) 2.229 3.090 ( -5.572 0.000 -6.669) 8.690 3.310 ( -1.418 0.000 0.935) 1.699 3.371 ( -5.428 -0.000 -9.575) 11.006 3.462 ( -2.178 0.000 2.589) 3.383 3.535 ( -4.760 0.000 3.796) 6.089 3.569 ( -3.549 0.000 -0.410) 3.573 3.758 ( 6.129 0.000 -2.635) 6.671 4.007 ( 1.016 0.000 3.480) 3.625 4.085 ( 0.245 0.000 -0.609) 0.656 4.217 ( 7.383 0.000 -1.998) 7.649 4.392 ( -4.471 0.000 8.871) 9.934 4.462 ( 5.361 0.000 -0.593) 5.394 4.502 ( 2.798 0.000 6.014) 6.633 4.547 ( 7.786 0.000 6.228) 9.971 4.734 ( -11.608 0.000 9.132) 14.769 4.795 ( -0.018 -0.000 -12.978) 12.978 4.835 ( 5.927 -0.000 -0.375) 5.939 5.000 ( 1.034 0.000 -1.392) 1.734 5.172 ( 1.593 0.000 9.739) 9.868 5.260 ( 10.017 0.000 -3.035) 10.466 5.477 ( -2.033 0.000 3.584) 4.120 5.578 ( -9.665 0.000 -3.579) 10.307 5.598 ( 4.605 0.000 7.352) 8.675 5.621 ( -9.068 -0.000 5.303) 10.505 5.655 ( -3.195 0.000 -8.506) 9.086 5.812 ( 0.886 -0.000 1.252) 1.534 5.945 ( -14.160 0.000 -1.959) 14.295 6.156 ( 9.763 0.000 2.128) 9.992 6.259 ( 6.276 0.000 -0.793) 6.325 6.323 ( -7.655 0.000 -0.929) 7.711 6.464 ( -0.727 0.000 -3.470) 3.545 6.538 ( -3.671 0.000 3.528) 5.092 6.854 ( 3.173 0.000 2.873) 4.280 6.895 ( -2.572 -0.000 -5.609) 6.171 6.933 ( -3.609 0.000 -5.792) 6.824 6.943 ( 4.077 0.000 -4.719) 6.236 7.173 ( 6.720 0.000 -3.902) 7.770 7.338 ( -3.517 0.000 5.070) 6.171 7.469 ( -1.118 0.000 1.000) 1.500 7.745 ( -3.646 0.000 -3.931) 5.362 7.760 ( 2.402 0.000 -9.688) 9.981 7.892 ( 1.598 0.000 -3.240) 3.612 7.917 ( -0.036 0.000 -0.907) 0.908 8.027 ( -1.332 0.000 4.161) 4.369 8.059 ( 3.793 -0.000 -3.688) 5.290 8.392 ( 4.194 0.000 -11.879) 12.598 8.871 ( 3.131 -0.000 1.653) 3.540 8.877 ( -7.608 0.000 1.776) 7.813 9.239 ( -0.478 0.000 -9.523) 9.534 9.312 ( 3.686 0.000 -10.658) 11.278 9.398 ( -2.981 0.000 9.311) 9.776 9.476 ( 1.192 0.000 4.506) 4.661 9.838 ( 1.298 0.000 5.122) 5.284 9.981 ( -0.528 0.000 0.904) 1.047 10.856 ( -3.929 0.000 -0.916) 4.034 11.063 ( -3.882 0.000 1.512) 4.166 11.078 ( -1.879 0.000 -0.840) 2.058 11.170 ( 7.811 0.000 5.584) 9.602 11.232 ( 6.293 0.000 -0.389) 6.305 11.339 ( -1.741 0.000 -0.083) 1.743 11.468 ( 3.228 0.000 -3.365) 4.663 11.510 ( -6.571 0.000 2.871) 7.171 11.932 ( 2.631 0.000 10.673) 10.992 11.974 ( -0.411 0.000 4.650) 4.668 12.455 ( -1.014 0.000 -1.959) 2.206 12.477 ( -1.294 0.000 -1.919) 2.314 14.681 ( 1.537 0.000 -1.138) 1.912 14.908 ( -4.096 0.000 -7.257) 8.333 19.188 ( 5.829 0.000 5.099) 7.744 19.327 ( -1.600 0.000 1.508) 2.199 20.997 ( -0.504 0.000 1.498) 1.581 21.104 ( -1.814 -0.000 2.461) 3.057 21.315 ( -2.171 0.000 -4.900) 5.359 21.458 ( -2.173 0.000 -1.860) 2.860 21.704 ( 8.220 0.000 3.759) 9.038 21.895 ( -3.950 0.000 -4.348) 5.874 22.603 ( 2.485 0.000 8.482) 8.839 23.129 ( -4.864 0.000 -5.323) 7.210 23.420 ( 0.032 0.000 1.850) 1.850 23.429 ( 4.316 0.000 2.893) 5.196 23.910 ( -0.971 0.000 2.754) 2.920 24.376 ( -0.219 0.000 -7.019) 7.022 ======================= Grid point 109 (56/96) ======================= q-point: ( 0.17 -0.50 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -3.852 0.000 0.249) 3.860 1.935 ( 6.370 0.000 -10.265) 12.081 2.038 ( 9.719 0.000 0.203) 9.721 2.052 ( -5.565 0.000 5.998) 8.182 2.481 ( 0.953 0.000 -8.529) 8.582 2.745 ( -7.653 0.000 3.435) 8.389 2.864 ( -5.656 0.000 4.122) 6.998 2.971 ( 7.494 0.000 -3.100) 8.110 3.036 ( 4.862 0.000 13.681) 14.519 3.193 ( -2.091 0.000 -11.166) 11.360 3.320 ( 3.628 -0.000 0.506) 3.663 3.434 ( 0.325 0.000 -4.847) 4.858 3.529 ( -0.170 0.000 2.612) 2.618 3.555 ( -0.260 -0.000 3.456) 3.466 3.819 ( 3.084 0.000 -4.693) 5.615 3.972 ( -9.885 0.000 -3.109) 10.362 4.063 ( 1.189 0.000 0.613) 1.338 4.207 ( -5.474 0.000 2.948) 6.217 4.372 ( -5.348 0.000 4.286) 6.854 4.449 ( 3.889 0.000 -5.157) 6.459 4.598 ( -12.968 0.000 15.712) 20.373 4.608 ( 6.632 0.000 2.292) 7.017 4.815 ( -1.173 0.000 -13.779) 13.829 4.844 ( 9.334 0.000 6.893) 11.603 4.930 ( 3.990 0.000 11.903) 12.554 4.994 ( 0.277 0.000 -3.965) 3.974 5.199 ( -10.493 -0.000 9.464) 14.130 5.318 ( -10.066 0.000 -0.288) 10.070 5.333 ( 1.364 -0.000 -6.104) 6.255 5.431 ( -5.046 0.000 12.564) 13.539 5.537 ( -2.600 0.000 -0.239) 2.611 5.561 ( -5.861 -0.000 10.969) 12.436 5.716 ( -0.363 0.000 7.266) 7.275 5.730 ( -2.030 0.000 -4.998) 5.395 5.937 ( 11.350 0.000 -2.320) 11.585 6.207 ( -1.864 0.000 -5.308) 5.626 6.314 ( 5.200 0.000 -1.480) 5.407 6.393 ( 9.870 0.000 -13.965) 17.101 6.458 ( 1.020 -0.000 1.508) 1.820 6.471 ( -4.884 0.000 -3.861) 6.226 6.693 ( -0.140 0.000 -4.784) 4.786 6.866 ( 3.258 0.000 -4.332) 5.420 7.023 ( 8.162 0.000 -2.339) 8.491 7.109 ( 7.608 0.000 3.810) 8.508 7.276 ( 5.078 0.000 -0.445) 5.098 7.294 ( -0.739 0.000 -0.083) 0.744 7.445 ( -4.003 -0.000 4.062) 5.703 7.572 ( -5.128 0.000 -7.399) 9.002 7.747 ( 4.121 0.000 -9.762) 10.596 7.919 ( 2.826 0.000 -0.877) 2.960 7.943 ( -0.085 0.000 4.155) 4.155 8.016 ( -3.205 0.000 4.722) 5.707 8.173 ( 9.463 0.000 -1.893) 9.650 8.319 ( 3.953 0.000 -17.145) 17.595 8.716 ( -9.594 0.000 1.642) 9.734 8.961 ( 5.519 0.000 -0.212) 5.523 9.171 ( 0.218 0.000 -3.765) 3.771 9.246 ( -1.927 0.000 -6.926) 7.189 9.441 ( -0.490 0.000 7.744) 7.759 9.527 ( -0.975 0.000 4.582) 4.685 9.854 ( -3.715 0.000 4.233) 5.631 9.969 ( -0.645 0.000 -2.013) 2.113 10.719 ( -9.007 0.000 3.342) 9.607 11.026 ( -3.131 0.000 2.142) 3.794 11.049 ( -1.027 0.000 0.714) 1.251 11.153 ( -5.325 0.000 -8.943) 10.408 11.300 ( -3.706 0.000 -0.156) 3.709 11.420 ( 7.178 0.000 -1.365) 7.306 11.440 ( 2.331 -0.000 4.695) 5.242 11.612 ( 6.985 0.000 5.575) 8.937 11.956 ( -5.462 0.000 3.780) 6.643 12.052 ( 0.291 0.000 8.223) 8.228 12.410 ( -1.398 0.000 -2.339) 2.725 12.442 ( -0.219 0.000 -2.243) 2.254 14.732 ( -5.360 0.000 -6.928) 8.759 14.738 ( 4.210 -0.000 0.644) 4.259 19.299 ( -1.532 0.000 -0.898) 1.776 19.409 ( 9.906 0.000 5.122) 11.152 20.998 ( -1.773 0.000 3.053) 3.531 21.065 ( -3.583 -0.000 0.863) 3.685 21.269 ( 0.606 0.000 -1.130) 1.282 21.327 ( -7.267 0.000 -1.795) 7.486 21.892 ( 8.861 0.000 -9.225) 12.792 21.946 ( 11.247 0.000 5.448) 12.497 22.713 ( -1.407 0.000 11.390) 11.477 22.965 ( -5.815 0.000 -6.283) 8.561 23.431 ( -0.615 0.000 1.015) 1.187 23.536 ( 4.241 0.000 1.182) 4.402 23.927 ( -0.680 0.000 3.822) 3.882 24.270 ( -2.487 0.000 -7.609) 8.005 ======================= Grid point 111 (57/96) ======================= q-point: ( 0.33 -0.50 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 3.408 0.000 3.584) 4.946 1.937 ( 6.363 0.000 -12.845) 14.334 1.992 ( -7.904 -0.000 7.876) 11.158 2.209 ( 4.419 0.000 4.232) 6.118 2.415 ( 4.065 0.000 -13.645) 14.237 2.538 ( -11.413 0.000 -4.022) 12.101 2.755 ( -7.365 0.000 1.520) 7.520 3.045 ( 7.837 -0.000 -3.478) 8.574 3.072 ( 3.948 0.000 -11.914) 12.551 3.322 ( 6.207 0.000 7.675) 9.871 3.436 ( 3.466 0.000 -1.775) 3.894 3.481 ( 10.683 0.000 3.514) 11.246 3.543 ( -0.616 0.000 1.514) 1.634 3.639 ( 3.346 -0.000 5.152) 6.143 3.765 ( -4.063 0.000 -5.815) 7.094 3.798 ( -5.331 0.000 -1.644) 5.579 4.107 ( 4.372 0.000 2.209) 4.898 4.124 ( -6.773 0.000 5.293) 8.596 4.188 ( -13.153 0.000 1.632) 13.254 4.481 ( -2.443 -0.000 0.836) 2.582 4.487 ( -12.071 0.000 6.202) 13.571 4.599 ( -5.737 0.000 -13.164) 14.360 4.822 ( 7.674 0.000 11.735) 14.022 4.880 ( -6.155 0.000 -4.178) 7.439 4.906 ( 0.822 0.000 -8.254) 8.295 5.045 ( 0.082 0.000 3.551) 3.552 5.069 ( -9.444 -0.000 4.462) 10.445 5.205 ( -1.008 0.000 -3.371) 3.518 5.280 ( -2.483 0.000 2.959) 3.863 5.442 ( -2.659 0.000 -0.688) 2.746 5.534 ( -9.731 -0.000 10.326) 14.188 5.634 ( 2.378 0.000 11.576) 11.818 5.774 ( 0.583 0.000 6.712) 6.737 5.797 ( 2.365 0.000 7.042) 7.428 6.147 ( -2.354 0.000 -10.744) 10.999 6.163 ( 5.500 0.000 -5.491) 7.772 6.198 ( 6.024 0.000 5.008) 7.834 6.330 ( -4.077 0.000 -2.186) 4.626 6.510 ( 7.648 0.000 -3.566) 8.439 6.618 ( 15.650 0.000 2.034) 15.782 6.701 ( 3.502 0.000 -1.045) 3.654 6.872 ( 0.031 0.000 -1.304) 1.304 7.188 ( 10.389 0.000 -3.413) 10.935 7.208 ( 1.328 0.000 -1.917) 2.332 7.296 ( -3.408 -0.000 -3.502) 4.887 7.333 ( 5.146 0.000 -5.102) 7.246 7.448 ( 1.572 -0.000 3.812) 4.124 7.460 ( 1.223 0.000 -3.730) 3.926 7.766 ( 8.267 0.000 -9.927) 12.918 7.924 ( -0.898 0.000 -3.044) 3.174 7.939 ( -6.867 0.000 11.251) 13.181 8.034 ( -0.293 0.000 2.164) 2.184 8.161 ( -0.653 0.000 -13.221) 13.237 8.389 ( 7.492 0.000 1.570) 7.655 8.619 ( -2.690 0.000 5.622) 6.232 9.047 ( 4.014 0.000 -5.187) 6.558 9.130 ( -6.290 0.000 3.998) 7.453 9.166 ( 3.087 0.000 -3.683) 4.806 9.521 ( -3.653 0.000 3.348) 4.955 9.539 ( 4.413 0.000 2.942) 5.304 9.798 ( -5.806 0.000 2.999) 6.535 9.916 ( -0.598 0.000 -4.655) 4.693 10.616 ( -6.250 0.000 4.691) 7.815 10.960 ( -4.642 0.000 -9.464) 10.541 10.984 ( -6.092 0.000 0.854) 6.152 11.028 ( 0.379 0.000 4.747) 4.762 11.221 ( -1.328 0.000 1.230) 1.810 11.524 ( 5.654 0.000 -2.659) 6.248 11.548 ( 2.377 0.000 1.771) 2.964 11.729 ( -0.063 0.000 3.493) 3.494 11.871 ( -5.225 0.000 1.031) 5.326 12.077 ( -2.236 0.000 -2.448) 3.316 12.384 ( -0.155 0.000 2.589) 2.594 12.434 ( 0.730 0.000 0.316) 0.796 14.628 ( -0.828 0.000 -1.048) 1.336 14.822 ( 2.811 0.000 1.328) 3.109 19.266 ( -0.014 0.000 -1.948) 1.948 19.580 ( 4.754 0.000 -0.986) 4.855 20.982 ( -3.724 0.000 4.084) 5.527 21.018 ( -2.137 -0.000 1.552) 2.641 21.229 ( -1.892 0.000 0.887) 2.090 21.287 ( 0.821 0.000 0.641) 1.042 21.995 ( 12.482 0.000 -12.407) 17.599 22.160 ( 5.046 0.000 1.776) 5.349 22.757 ( -6.614 0.000 12.541) 14.178 22.826 ( -1.636 0.000 -4.275) 4.577 23.415 ( -1.010 0.000 -0.782) 1.277 23.598 ( 2.437 0.000 -1.864) 3.069 23.950 ( -1.454 0.000 4.450) 4.682 24.176 ( -0.223 0.000 -4.419) 4.424 ======================= Grid point 113 (58/96) ======================= q-point: (-0.50 -0.50 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 1.624 0.000 6.618) 6.814 1.937 ( 4.777 0.000 -10.958) 11.954 1.948 ( -2.992 -0.000 7.673) 8.235 2.214 ( -2.860 -0.000 -9.288) 9.718 2.328 ( -4.012 -0.000 0.212) 4.018 2.386 ( 6.449 0.000 -11.235) 12.954 2.697 ( -0.299 0.000 1.526) 1.555 3.157 ( 13.424 -0.000 -5.371) 14.459 3.205 ( 11.871 0.000 -9.178) 15.005 3.325 ( -10.376 0.000 0.199) 10.377 3.513 ( 4.486 0.000 0.808) 4.558 3.521 ( -6.666 -0.000 -0.564) 6.689 3.539 ( -1.578 0.000 -1.365) 2.087 3.628 ( -4.756 -0.000 0.320) 4.766 3.823 ( 16.126 -0.000 4.602) 16.770 3.827 ( 4.075 0.000 4.637) 6.173 3.994 ( -16.562 -0.000 10.642) 19.686 4.078 ( -1.554 -0.000 2.263) 2.745 4.226 ( 4.391 0.000 -1.585) 4.668 4.289 ( -5.366 0.000 -8.233) 9.827 4.330 ( -11.163 0.000 -1.063) 11.214 4.491 ( 3.203 0.000 2.125) 3.844 4.715 ( -5.043 0.000 -10.061) 11.254 4.825 ( 0.408 -0.000 -10.877) 10.885 4.937 ( -5.391 0.000 -1.900) 5.716 5.036 ( 2.429 0.000 11.610) 11.861 5.053 ( 0.951 -0.000 -0.726) 1.197 5.175 ( -1.980 0.000 -0.340) 2.009 5.259 ( -4.603 0.000 4.047) 6.129 5.405 ( -7.514 0.000 5.586) 9.363 5.433 ( -0.607 0.000 0.827) 1.026 5.662 ( -8.989 0.000 -4.443) 10.027 5.729 ( -4.022 0.000 10.960) 11.675 5.865 ( 0.677 0.000 8.607) 8.633 6.113 ( 4.229 0.000 -1.501) 4.487 6.184 ( -0.249 0.000 -1.611) 1.630 6.301 ( 3.181 0.000 0.219) 3.189 6.431 ( 6.057 0.000 6.391) 8.805 6.702 ( 5.116 0.000 0.237) 5.121 6.793 ( 15.949 -0.000 8.939) 18.284 6.818 ( -3.377 0.000 -3.609) 4.942 7.009 ( -1.070 0.000 11.022) 11.073 7.119 ( -6.203 0.000 -5.776) 8.476 7.165 ( 7.105 0.000 -7.897) 10.623 7.289 ( 2.697 0.000 -2.354) 3.580 7.342 ( -1.346 0.000 -1.894) 2.323 7.515 ( 7.282 0.000 -3.154) 7.935 7.542 ( 6.553 0.000 -4.306) 7.842 7.828 ( 6.372 0.000 -8.539) 10.655 7.831 ( -1.730 -0.000 -8.888) 9.055 7.937 ( -5.288 0.000 11.878) 13.002 8.009 ( -3.649 0.000 1.545) 3.962 8.057 ( 1.047 0.000 -5.056) 5.163 8.451 ( -3.749 0.000 5.828) 6.930 8.739 ( 5.609 0.000 7.896) 9.686 8.954 ( -4.239 0.000 -4.493) 6.177 9.165 ( 1.002 0.000 5.833) 5.919 9.218 ( 7.935 -0.000 -6.942) 10.543 9.463 ( -4.692 0.000 1.720) 4.997 9.566 ( -2.803 0.000 -2.606) 3.827 9.700 ( -7.002 0.000 2.523) 7.443 9.925 ( 4.974 0.000 -2.287) 5.474 10.567 ( -2.477 0.000 3.020) 3.906 10.828 ( -0.193 0.000 -6.789) 6.792 10.930 ( -0.296 0.000 2.438) 2.455 11.139 ( 6.467 0.000 4.295) 7.763 11.259 ( 1.883 0.000 4.698) 5.061 11.538 ( -3.615 0.000 -0.970) 3.742 11.575 ( 2.107 0.000 -2.182) 3.033 11.695 ( -4.880 0.000 0.980) 4.978 11.806 ( -1.429 0.000 -0.484) 1.508 11.908 ( -7.083 0.000 -11.523) 13.526 12.446 ( 1.392 0.000 4.720) 4.921 12.476 ( 1.664 0.000 2.724) 3.192 14.683 ( 4.416 0.000 4.453) 6.271 14.844 ( -1.384 0.000 0.077) 1.386 19.272 ( 1.803 0.000 -0.482) 1.866 19.548 ( -3.754 0.000 -7.031) 7.970 20.955 ( -2.410 0.000 3.360) 4.135 21.019 ( -0.183 0.000 2.885) 2.891 21.260 ( 1.546 0.000 4.469) 4.729 21.302 ( 0.050 0.000 0.857) 0.858 22.104 ( -6.808 0.000 -7.355) 10.022 22.106 ( 12.125 -0.000 -12.913) 17.713 22.693 ( -12.734 0.000 11.572) 17.206 22.872 ( 6.230 0.000 2.441) 6.691 23.393 ( 0.026 0.000 -1.226) 1.226 23.584 ( -0.638 0.000 -4.378) 4.424 23.953 ( -2.506 0.000 3.911) 4.645 24.197 ( 4.804 0.000 -0.711) 4.857 ======================= Grid point 115 (59/96) ======================= q-point: (-0.33 -0.50 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( -3.538 0.000 6.760) 7.629 1.843 ( -1.309 0.000 -11.138) 11.215 2.041 ( 3.007 0.000 7.955) 8.504 2.087 ( -0.106 0.000 -9.391) 9.392 2.401 ( 10.755 -0.000 -0.002) 10.755 2.458 ( 8.668 0.000 -5.015) 10.014 2.707 ( -0.501 0.000 1.017) 1.133 2.850 ( -18.630 0.000 -14.690) 23.725 3.361 ( 0.692 0.000 -10.029) 10.053 3.381 ( 5.429 0.000 3.978) 6.731 3.439 ( -1.259 -0.000 8.131) 8.228 3.537 ( 1.429 -0.000 0.278) 1.456 3.588 ( 4.408 -0.000 -0.866) 4.492 3.709 ( 9.092 0.000 4.592) 10.186 3.748 ( -16.689 -0.000 10.778) 19.867 3.943 ( 3.885 0.000 5.152) 6.453 4.043 ( -4.179 -0.000 -6.476) 7.708 4.127 ( -5.286 0.000 -3.442) 6.307 4.186 ( 5.690 -0.000 -7.178) 9.159 4.191 ( 14.333 0.000 6.524) 15.748 4.272 ( 3.347 0.000 -1.843) 3.821 4.527 ( -6.062 0.000 -9.529) 11.293 4.630 ( 4.689 -0.000 -1.259) 4.855 4.673 ( 0.211 0.000 -12.357) 12.359 4.826 ( -4.532 0.000 3.030) 5.452 5.035 ( -4.808 -0.000 3.680) 6.055 5.075 ( -4.702 0.000 -0.196) 4.706 5.222 ( -0.966 0.000 0.381) 1.038 5.235 ( 7.713 -0.000 11.963) 14.234 5.376 ( -0.413 0.000 -1.995) 2.038 5.510 ( 7.704 0.000 10.290) 12.854 5.580 ( -2.766 0.000 5.624) 6.268 5.780 ( -3.310 0.000 8.482) 9.105 5.895 ( -2.728 0.000 3.058) 4.098 6.190 ( 6.093 0.000 0.812) 6.147 6.197 ( 1.829 -0.000 -1.413) 2.311 6.387 ( 2.454 0.000 2.161) 3.269 6.446 ( -10.082 -0.000 -3.047) 10.532 6.680 ( -6.021 0.000 -5.085) 7.881 6.738 ( -5.667 0.000 -3.209) 6.512 6.868 ( -5.994 0.000 7.976) 9.977 6.927 ( -4.609 0.000 -5.867) 7.461 7.112 ( 7.856 0.000 4.174) 8.896 7.161 ( -9.638 0.000 -7.314) 12.099 7.339 ( 2.674 -0.000 1.211) 2.935 7.358 ( 5.644 0.000 -1.972) 5.979 7.487 ( -11.576 -0.000 2.930) 11.941 7.653 ( 7.071 0.000 -1.008) 7.143 7.801 ( 9.728 0.000 -12.991) 16.229 7.840 ( 2.349 -0.000 -2.437) 3.384 7.926 ( -0.219 0.000 -1.883) 1.896 7.999 ( -2.426 0.000 6.976) 7.386 8.119 ( 7.000 0.000 -1.737) 7.213 8.402 ( -5.813 0.000 4.005) 7.059 8.852 ( -3.043 0.000 -1.732) 3.502 8.892 ( 1.804 0.000 7.385) 7.602 9.246 ( 2.691 0.000 3.433) 4.362 9.313 ( 9.919 0.000 -11.575) 15.244 9.412 ( -1.191 0.000 1.809) 2.166 9.454 ( -4.041 0.000 -3.694) 5.475 9.617 ( -4.845 0.000 6.340) 7.979 9.978 ( 1.686 0.000 -1.131) 2.030 10.616 ( 4.869 0.000 3.046) 5.743 10.836 ( 5.829 0.000 -2.628) 6.394 10.982 ( 2.787 0.000 0.497) 2.831 11.318 ( 8.600 0.000 -0.551) 8.617 11.385 ( 4.099 0.000 8.449) 9.391 11.410 ( -8.387 0.000 -0.914) 8.437 11.510 ( -8.770 0.000 -4.239) 9.741 11.601 ( -3.556 0.000 -2.213) 4.189 11.696 ( -2.177 0.000 -4.087) 4.631 11.816 ( 2.459 0.000 0.447) 2.499 12.493 ( -0.174 0.000 2.147) 2.154 12.523 ( 0.314 0.000 2.021) 2.046 14.783 ( -3.691 0.000 -1.494) 3.982 14.844 ( 6.537 0.000 4.994) 8.226 19.309 ( 1.150 0.000 1.412) 1.821 19.343 ( -8.581 0.000 -7.846) 11.627 20.961 ( -0.191 0.000 2.572) 2.579 21.056 ( 0.659 0.000 3.094) 3.163 21.319 ( 1.052 0.000 1.427) 1.773 21.348 ( 2.700 0.000 4.554) 5.294 21.857 ( -8.793 0.000 -9.431) 12.894 22.189 ( 7.363 0.000 -10.071) 12.476 22.527 ( -13.782 0.000 9.337) 16.647 23.037 ( 6.731 0.000 4.377) 8.029 23.393 ( 0.457 0.000 -0.100) 0.468 23.498 ( -3.183 0.000 -5.189) 6.087 23.934 ( -2.753 0.000 2.808) 3.933 24.309 ( 6.632 0.000 -0.746) 6.674 ======================= Grid point 117 (60/96) ======================= q-point: (-0.17 -0.50 0.20) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -2.732 0.000 3.291) 4.277 1.774 ( 5.338 0.000 -9.117) 10.565 1.990 ( -0.660 0.000 -9.479) 9.502 2.127 ( -4.131 0.000 9.423) 10.289 2.504 ( -5.697 0.000 -2.367) 6.169 2.528 ( 1.212 0.000 -1.428) 1.873 2.661 ( 13.254 0.000 2.106) 13.421 2.768 ( 6.730 0.000 0.768) 6.773 3.241 ( -1.102 0.000 -10.164) 10.224 3.387 ( -10.866 -0.000 6.664) 12.747 3.439 ( -1.732 0.000 5.812) 6.065 3.533 ( -4.136 -0.000 -1.279) 4.329 3.617 ( -8.029 0.000 6.485) 10.321 3.671 ( 5.798 0.000 -2.557) 6.337 3.750 ( -9.445 -0.000 -1.138) 9.514 3.990 ( 11.234 0.000 -7.188) 13.337 4.012 ( -4.855 0.000 2.273) 5.361 4.078 ( 6.021 0.000 -4.196) 7.339 4.330 ( 3.447 0.000 1.307) 3.686 4.342 ( 6.401 0.000 2.676) 6.938 4.404 ( 5.604 0.000 0.114) 5.605 4.438 ( 1.638 0.000 3.351) 3.730 4.661 ( 5.396 -0.000 4.824) 7.237 4.757 ( 17.998 0.000 -9.971) 20.576 4.833 ( -4.997 0.000 5.694) 7.576 4.983 ( -2.608 0.000 3.085) 4.040 5.054 ( 2.934 0.000 1.954) 3.525 5.212 ( -0.993 0.000 -1.077) 1.465 5.394 ( 2.819 0.000 0.024) 2.819 5.525 ( 10.564 0.000 5.522) 11.920 5.589 ( -3.666 0.000 5.294) 6.439 5.719 ( -7.109 0.000 2.836) 7.654 5.743 ( 5.384 0.000 -0.431) 5.402 5.911 ( 4.465 0.000 4.783) 6.543 6.016 ( -21.230 0.000 -2.273) 21.351 6.183 ( -1.930 0.000 0.451) 1.982 6.302 ( -11.641 0.000 -2.820) 11.977 6.381 ( 5.914 0.000 3.988) 7.133 6.561 ( -3.753 0.000 -2.199) 4.349 6.654 ( -11.235 0.000 -2.739) 11.564 6.713 ( 0.092 -0.000 4.511) 4.511 6.931 ( -2.333 0.000 -8.170) 8.497 6.973 ( 4.621 0.000 1.056) 4.740 7.103 ( -7.291 0.000 -5.962) 9.419 7.282 ( -7.103 0.000 -8.293) 10.919 7.332 ( -5.257 0.000 7.427) 9.099 7.443 ( 3.770 0.000 0.965) 3.891 7.717 ( 4.252 0.000 -3.534) 5.529 7.860 ( -0.726 0.000 -1.585) 1.744 7.863 ( 7.612 0.000 -8.898) 11.710 7.953 ( 4.064 0.000 -6.883) 7.994 7.988 ( -3.254 0.000 6.504) 7.273 8.128 ( -6.116 0.000 0.330) 6.125 8.384 ( 4.714 0.000 -5.209) 7.025 8.821 ( -0.191 0.000 1.935) 1.945 8.942 ( -2.935 0.000 5.130) 5.910 9.320 ( 4.823 0.000 -4.686) 6.724 9.327 ( 4.483 -0.000 -12.954) 13.708 9.376 ( -2.890 0.000 2.504) 3.823 9.426 ( -0.332 0.000 2.560) 2.582 9.702 ( 4.804 0.000 8.206) 9.509 9.982 ( -0.501 0.000 0.768) 0.917 10.784 ( 8.718 0.000 1.906) 8.924 10.979 ( 9.337 0.000 0.873) 9.378 11.035 ( 2.868 0.000 1.251) 3.130 11.214 ( -11.015 0.000 0.344) 11.021 11.267 ( -8.040 0.000 -5.192) 9.570 11.376 ( -0.010 0.000 -2.711) 2.711 11.523 ( -0.465 -0.000 -7.085) 7.100 11.525 ( 0.310 0.000 7.338) 7.345 11.762 ( 3.493 0.000 9.987) 10.580 11.896 ( 3.782 0.000 2.783) 4.695 12.487 ( -1.100 0.000 -0.349) 1.154 12.518 ( -1.611 0.000 -0.096) 1.614 14.705 ( -2.146 0.000 -2.013) 2.942 14.966 ( 2.702 0.000 -0.756) 2.806 19.155 ( -4.271 0.000 -1.894) 4.672 19.331 ( -0.789 0.000 2.315) 2.446 20.985 ( 0.257 0.000 1.607) 1.628 21.093 ( 0.020 -0.000 2.827) 2.827 21.364 ( 1.743 0.000 -0.447) 1.799 21.436 ( 3.243 0.000 1.300) 3.494 21.650 ( -3.631 0.000 -4.848) 6.057 22.094 ( -9.908 0.000 -3.312) 10.447 22.482 ( 1.546 0.000 5.738) 5.942 23.178 ( 3.484 0.000 1.710) 3.881 23.391 ( -2.360 0.000 -2.794) 3.657 23.404 ( 0.117 0.000 1.169) 1.175 23.913 ( -1.958 0.000 2.288) 3.012 24.394 ( 4.014 0.000 -3.801) 5.529 ======================= Grid point 143 (61/96) ======================= q-point: ( 0.00 0.00 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 3.514 0.000 32.684) 32.872 1.699 ( -11.898 0.000 31.437) 33.613 2.043 ( 17.430 0.000 0.951) 17.456 2.054 ( 20.720 0.000 36.199) 41.710 2.181 ( -4.905 0.000 -28.414) 28.834 2.781 ( -25.348 0.000 -31.970) 40.799 3.093 ( -13.226 0.000 3.765) 13.751 3.235 ( 1.777 0.000 -4.471) 4.811 3.309 ( 18.304 0.000 -1.207) 18.344 3.435 ( -2.321 0.000 -14.273) 14.461 3.625 ( -8.015 0.000 8.807) 11.908 3.699 ( 3.959 0.000 3.590) 5.344 4.149 ( -4.759 0.000 4.916) 6.842 4.170 ( 1.095 0.000 4.039) 4.185 4.268 ( 1.248 0.000 0.990) 1.593 4.281 ( 6.398 0.000 -0.877) 6.458 4.330 ( 5.100 0.000 0.258) 5.107 4.359 ( 2.787 0.000 -0.118) 2.790 4.560 ( -5.655 0.000 -9.586) 11.130 4.567 ( -7.046 0.000 -9.848) 12.109 4.780 ( 2.228 0.000 4.313) 4.854 4.886 ( -1.676 0.000 2.844) 3.301 4.950 ( -3.245 0.000 -3.584) 4.835 5.031 ( 4.881 0.000 6.570) 8.185 5.079 ( 2.732 0.000 -6.763) 7.294 5.216 ( 5.099 0.000 6.674) 8.398 5.231 ( -1.914 0.000 -9.382) 9.575 5.350 ( -1.950 0.000 -4.466) 4.873 5.555 ( 1.456 0.000 4.870) 5.083 5.600 ( 2.969 0.000 6.654) 7.286 5.644 ( 0.275 0.000 4.425) 4.434 5.660 ( -1.732 0.000 -1.570) 2.338 5.728 ( -9.048 0.000 -3.088) 9.560 5.731 ( 3.031 0.000 -1.752) 3.501 5.932 ( -2.647 0.000 0.483) 2.690 5.983 ( 0.273 0.000 -4.821) 4.829 6.161 ( 2.049 0.000 4.429) 4.880 6.224 ( 1.137 0.000 0.967) 1.493 6.525 ( -3.110 0.000 10.810) 11.249 6.576 ( 4.332 0.000 -7.738) 8.868 6.620 ( 0.713 0.000 -4.857) 4.909 6.812 ( -2.706 0.000 -8.007) 8.452 7.025 ( -1.557 0.000 0.716) 1.714 7.064 ( 7.937 0.000 -2.169) 8.228 7.437 ( -1.054 0.000 5.726) 5.822 7.547 ( -2.040 0.000 -3.631) 4.165 7.822 ( -3.080 0.000 4.383) 5.357 7.837 ( -4.218 0.000 -0.168) 4.222 7.945 ( 11.016 0.000 3.586) 11.585 7.991 ( 2.225 0.000 3.274) 3.958 8.137 ( -13.306 0.000 -0.949) 13.339 8.282 ( 7.863 0.000 -9.762) 12.535 8.364 ( 5.100 0.000 10.168) 11.376 8.523 ( 3.165 0.000 2.941) 4.320 8.789 ( -3.374 0.000 -8.967) 9.581 8.828 ( -1.072 0.000 -6.731) 6.816 8.895 ( -5.814 0.000 2.731) 6.424 9.022 ( 4.027 0.000 -8.257) 9.187 9.668 ( -8.664 0.000 7.225) 11.281 9.775 ( 6.841 0.000 -1.764) 7.065 9.988 ( -2.551 0.000 6.255) 6.755 10.048 ( 0.152 0.000 1.180) 1.190 10.762 ( -0.068 0.000 3.836) 3.837 10.827 ( 0.695 0.000 -1.317) 1.489 11.044 ( -2.245 0.000 6.437) 6.817 11.123 ( -2.522 0.000 -0.872) 2.669 11.156 ( -2.069 0.000 2.631) 3.346 11.261 ( 4.222 0.000 -6.339) 7.616 11.513 ( -1.416 0.000 3.037) 3.351 11.597 ( 2.711 0.000 -4.075) 4.894 11.897 ( 4.337 0.000 3.419) 5.522 11.980 ( -0.964 0.000 -4.139) 4.249 12.059 ( -6.437 0.000 2.181) 6.796 12.116 ( 7.408 0.000 -2.709) 7.888 14.730 ( 3.388 0.000 2.942) 4.487 14.813 ( -3.549 0.000 -4.293) 5.570 19.924 ( -16.139 0.000 0.364) 16.143 19.956 ( 22.470 0.000 -2.799) 22.643 20.980 ( -6.567 0.000 8.724) 10.920 21.099 ( 3.777 0.000 -2.549) 4.557 21.392 ( -0.119 0.000 6.107) 6.108 21.587 ( 5.699 0.000 -10.735) 12.154 21.937 ( 4.971 0.000 1.737) 5.266 21.978 ( -4.767 0.000 -1.873) 5.121 22.630 ( 5.120 0.000 -0.053) 5.120 22.635 ( -5.029 0.000 -0.673) 5.073 23.209 ( 2.142 0.000 7.363) 7.668 23.302 ( 2.554 0.000 -1.495) 2.959 23.485 ( 6.111 0.000 2.012) 6.433 23.574 ( -14.961 0.000 -5.481) 15.933 ======================= Grid point 144 (62/96) ======================= q-point: ( 0.17 0.00 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -6.783 0.000 19.019) 20.192 1.902 ( 5.510 0.000 -27.768) 28.309 1.944 ( -16.860 0.000 -40.141) 43.538 1.974 ( 12.617 0.000 30.566) 33.068 2.442 ( 19.162 0.000 0.813) 19.179 2.757 ( -10.193 0.000 2.432) 10.479 2.859 ( -25.122 0.000 -4.242) 25.478 3.076 ( 25.224 0.000 26.487) 36.576 3.424 ( -11.666 0.000 5.062) 12.717 3.552 ( 14.417 0.000 -13.513) 19.760 3.700 ( 14.409 0.000 5.571) 15.449 3.786 ( 3.348 0.000 -3.807) 5.070 4.053 ( -11.153 0.000 -2.149) 11.358 4.120 ( -3.229 0.000 6.936) 7.651 4.195 ( -8.186 0.000 -8.194) 11.582 4.276 ( 2.846 0.000 0.425) 2.877 4.348 ( -0.403 0.000 -6.163) 6.176 4.407 ( 2.976 0.000 -9.394) 9.855 4.559 ( 2.920 0.000 7.894) 8.417 4.581 ( 6.690 0.000 8.530) 10.840 4.841 ( 0.439 0.000 -4.516) 4.537 4.908 ( 4.859 0.000 4.481) 6.610 4.917 ( -2.332 0.000 5.524) 5.996 5.034 ( 1.191 0.000 -5.119) 5.256 5.088 ( -6.183 0.000 -8.797) 10.752 5.203 ( 3.397 0.000 5.254) 6.257 5.253 ( -0.817 0.000 -6.439) 6.490 5.283 ( -1.013 0.000 4.261) 4.380 5.532 ( -3.313 0.000 -3.051) 4.504 5.617 ( -3.664 0.000 -0.344) 3.680 5.618 ( -1.803 0.000 6.752) 6.989 5.723 ( 2.941 0.000 1.742) 3.418 5.737 ( 7.920 0.000 -2.128) 8.201 5.811 ( -3.652 0.000 6.569) 7.516 5.884 ( 5.282 0.000 -3.915) 6.575 5.889 ( -6.699 0.000 0.570) 6.723 6.154 ( -8.451 0.000 8.810) 12.208 6.183 ( -8.595 0.000 -10.110) 13.270 6.394 ( -12.712 0.000 -7.088) 14.555 6.497 ( 2.541 0.000 2.605) 3.639 6.596 ( -5.881 0.000 10.502) 12.037 6.715 ( 0.161 0.000 -7.928) 7.930 7.006 ( 1.214 0.000 -2.263) 2.568 7.128 ( 3.292 0.000 -6.672) 7.440 7.544 ( 2.107 0.000 2.532) 3.294 7.561 ( 6.868 0.000 -0.072) 6.869 7.726 ( -14.055 0.000 2.053) 14.204 7.743 ( -3.563 0.000 5.900) 6.892 7.881 ( -3.533 0.000 -5.823) 6.811 8.098 ( 6.285 0.000 -4.961) 8.007 8.181 ( 7.839 0.000 4.353) 8.967 8.428 ( 9.824 0.000 1.431) 9.927 8.486 ( 1.171 0.000 -14.245) 14.293 8.511 ( 2.411 0.000 7.532) 7.909 8.777 ( 1.539 0.000 3.394) 3.726 8.808 ( 4.040 0.000 -1.016) 4.165 8.957 ( 8.447 0.000 3.793) 9.260 9.080 ( 6.997 0.000 -4.440) 8.287 9.546 ( -9.564 0.000 6.053) 11.318 9.764 ( -8.539 0.000 2.800) 8.987 9.972 ( -8.119 0.000 -1.422) 8.242 9.996 ( 0.730 0.000 -0.507) 0.889 10.774 ( -2.099 0.000 1.913) 2.840 10.797 ( -1.250 0.000 -2.777) 3.046 11.079 ( -0.681 0.000 -0.654) 0.944 11.082 ( -0.912 0.000 8.283) 8.333 11.182 ( 1.699 0.000 0.746) 1.856 11.286 ( 3.076 0.000 -3.267) 4.488 11.518 ( -1.541 0.000 3.832) 4.130 11.620 ( 3.902 0.000 -5.253) 6.544 11.894 ( -1.899 0.000 -6.316) 6.595 11.920 ( -5.439 0.000 -1.238) 5.578 12.027 ( 3.210 0.000 3.296) 4.601 12.180 ( 2.259 0.000 -2.454) 3.335 14.746 ( 0.551 0.000 -3.904) 3.943 14.861 ( 5.902 0.000 3.647) 6.938 19.587 ( -15.035 0.000 -1.616) 15.122 20.224 ( 9.900 0.000 -5.672) 11.409 20.961 ( -3.992 0.000 8.075) 9.008 21.152 ( 4.173 0.000 -3.096) 5.196 21.340 ( -10.011 0.000 5.653) 11.497 21.537 ( 1.444 0.000 -12.133) 12.218 21.859 ( -4.522 0.000 -2.196) 5.027 22.034 ( 3.464 0.000 0.240) 3.473 22.568 ( -1.891 0.000 0.482) 1.952 22.724 ( 3.363 0.000 -0.452) 3.393 23.241 ( -1.824 0.000 1.928) 2.654 23.255 ( -2.173 0.000 -7.429) 7.741 23.424 ( 1.219 0.000 1.901) 2.258 23.696 ( 7.053 0.000 8.144) 10.774 ======================= Grid point 145 (63/96) ======================= q-point: ( 0.33 0.00 -0.60) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 15.867 0.000 -23.587) 28.427 1.828 ( 10.311 0.000 0.198) 10.313 1.870 ( 14.312 0.000 -13.981) 20.007 2.301 ( -28.497 0.000 0.414) 28.500 2.530 ( -13.157 0.000 7.403) 15.096 2.537 ( 14.979 0.000 25.800) 29.833 2.705 ( 6.219 0.000 -2.668) 6.767 3.144 ( -18.466 0.000 1.280) 18.510 3.503 ( -4.039 0.000 -20.043) 20.446 3.532 ( 6.430 0.000 -1.660) 6.640 3.807 ( -5.436 0.000 -0.075) 5.437 3.871 ( 17.170 0.000 -19.216) 25.769 3.920 ( -3.522 0.000 -2.552) 4.350 4.115 ( -4.460 0.000 4.649) 6.443 4.175 ( -3.099 0.000 0.682) 3.174 4.298 ( 2.257 0.000 -2.559) 3.412 4.354 ( -0.092 0.000 -1.978) 1.980 4.446 ( 2.096 0.000 2.251) 3.076 4.531 ( -0.029 0.000 8.650) 8.650 4.662 ( 1.267 0.000 1.382) 1.875 4.844 ( -3.295 0.000 -3.834) 5.056 4.942 ( -0.848 0.000 -1.539) 1.757 4.970 ( 3.290 0.000 14.580) 14.946 5.029 ( 7.470 0.000 5.650) 9.366 5.107 ( 3.083 0.000 3.008) 4.307 5.235 ( 1.295 0.000 -0.681) 1.463 5.235 ( 2.816 0.000 0.918) 2.962 5.317 ( -3.311 0.000 1.280) 3.550 5.436 ( -4.420 0.000 -3.665) 5.742 5.568 ( -5.491 0.000 0.590) 5.523 5.589 ( 4.453 0.000 -3.284) 5.533 5.605 ( -6.417 0.000 -6.758) 9.319 5.742 ( -9.354 0.000 2.532) 9.691 5.794 ( 2.512 0.000 -1.105) 2.744 5.871 ( 1.657 0.000 -2.575) 3.062 5.949 ( -5.934 0.000 0.481) 5.954 5.977 ( -5.363 0.000 12.778) 13.858 6.150 ( -1.312 0.000 8.999) 9.094 6.253 ( 2.595 0.000 2.345) 3.498 6.539 ( -5.293 0.000 6.163) 8.124 6.599 ( 7.129 0.000 -14.615) 16.261 6.666 ( 1.579 0.000 0.067) 1.581 6.992 ( 0.521 0.000 -6.139) 6.161 7.074 ( 0.526 0.000 -9.977) 9.991 7.434 ( -12.984 0.000 -1.171) 13.036 7.491 ( -4.707 0.000 0.891) 4.790 7.754 ( 0.653 0.000 2.310) 2.401 7.788 ( 6.327 0.000 -2.532) 6.815 7.830 ( -0.362 0.000 2.704) 2.728 8.100 ( 2.369 0.000 -4.292) 4.902 8.346 ( 3.246 0.000 5.489) 6.377 8.474 ( 12.014 0.000 -13.825) 18.316 8.621 ( 5.256 0.000 6.113) 8.062 8.681 ( 6.164 0.000 10.453) 12.135 8.835 ( 0.222 0.000 7.723) 7.726 8.879 ( 2.858 0.000 -1.733) 3.343 9.136 ( 1.258 0.000 -1.564) 2.007 9.158 ( 10.508 0.000 -3.953) 11.227 9.502 ( -0.655 0.000 7.210) 7.240 9.579 ( -13.266 0.000 3.992) 13.854 9.763 ( -8.672 0.000 -4.805) 9.914 9.952 ( -2.922 0.000 -4.842) 5.656 10.731 ( -2.916 0.000 0.432) 2.947 10.748 ( -0.706 0.000 -2.723) 2.813 11.085 ( 0.925 0.000 0.593) 1.099 11.155 ( -0.587 0.000 5.290) 5.322 11.225 ( 3.496 0.000 1.568) 3.831 11.305 ( 0.030 0.000 1.026) 1.026 11.526 ( -2.991 0.000 6.404) 7.068 11.632 ( 3.260 0.000 -5.922) 6.760 11.794 ( -1.478 0.000 -7.893) 8.031 11.823 ( -1.481 0.000 -4.239) 4.490 12.104 ( 1.970 0.000 1.279) 2.349 12.177 ( -0.275 0.000 -1.174) 1.205 14.753 ( 3.078 0.000 -1.674) 3.503 14.953 ( 0.389 0.000 0.255) 0.465 19.474 ( 1.863 0.000 7.262) 7.497 20.247 ( 0.329 0.000 -8.198) 8.204 20.975 ( -2.234 0.000 6.095) 6.492 21.164 ( 0.937 0.000 -5.305) 5.387 21.194 ( -11.929 0.000 9.425) 15.204 21.444 ( 1.991 0.000 -11.885) 12.051 21.810 ( 1.541 0.000 -0.957) 1.813 22.046 ( -0.745 0.000 -3.475) 3.554 22.563 ( 0.132 0.000 1.499) 1.505 22.721 ( -2.046 0.000 -1.576) 2.583 23.216 ( -2.139 0.000 1.366) 2.538 23.218 ( 4.163 0.000 -5.200) 6.661 23.507 ( 5.338 0.000 1.490) 5.542 23.804 ( -3.478 0.000 5.499) 6.506 ======================= Grid point 146 (64/96) ======================= q-point: (-0.50 0.00 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( -26.951 0.000 6.567) 27.740 1.926 ( -13.154 0.000 -2.371) 13.366 1.940 ( 20.058 0.000 -3.467) 20.355 2.042 ( 20.693 0.000 -14.624) 25.339 2.529 ( 4.352 0.000 20.492) 20.949 2.697 ( 3.932 0.000 0.803) 4.013 2.790 ( -11.974 0.000 -7.729) 14.252 3.021 ( 5.749 0.000 4.017) 7.013 3.170 ( 3.070 0.000 -11.813) 12.206 3.511 ( -1.904 0.000 -14.227) 14.354 3.627 ( -30.499 0.000 12.271) 32.875 3.842 ( 5.210 0.000 0.068) 5.210 3.873 ( -6.986 0.000 0.524) 7.005 4.023 ( 13.369 0.000 -15.309) 20.325 4.107 ( -0.968 0.000 5.996) 6.074 4.239 ( -7.783 0.000 -3.514) 8.540 4.421 ( 1.502 0.000 0.028) 1.503 4.426 ( 7.022 0.000 1.467) 7.174 4.694 ( -1.781 0.000 -0.012) 1.781 4.749 ( 1.369 0.000 -2.558) 2.902 4.801 ( 7.237 0.000 2.525) 7.665 4.864 ( -5.097 0.000 -1.955) 5.459 5.084 ( -5.462 0.000 -1.306) 5.616 5.084 ( 4.202 0.000 0.822) 4.282 5.196 ( -0.754 0.000 4.064) 4.133 5.230 ( -2.139 0.000 1.898) 2.859 5.268 ( -4.188 0.000 3.146) 5.238 5.343 ( 7.641 0.000 -4.995) 9.129 5.525 ( -3.609 0.000 6.524) 7.455 5.557 ( 1.792 0.000 0.266) 1.811 5.559 ( -7.991 0.000 1.238) 8.087 5.594 ( 7.332 0.000 3.857) 8.285 5.744 ( 16.394 0.000 9.700) 19.049 5.811 ( -9.295 0.000 7.973) 12.246 5.824 ( 2.751 0.000 2.483) 3.706 5.946 ( -6.033 0.000 -0.094) 6.034 5.991 ( 6.569 0.000 4.321) 7.862 6.091 ( -8.165 0.000 -5.218) 9.690 6.293 ( 3.350 0.000 -0.524) 3.391 6.533 ( 4.320 0.000 -16.599) 17.152 6.573 ( 0.028 0.000 -0.836) 0.836 6.679 ( 1.870 0.000 -7.674) 7.898 6.950 ( 1.289 0.000 -0.018) 1.289 6.998 ( -0.406 0.000 -5.387) 5.402 7.373 ( 3.397 0.000 8.238) 8.911 7.435 ( -3.005 0.000 1.111) 3.204 7.680 ( 0.591 0.000 -4.756) 4.793 7.709 ( -4.582 0.000 -6.707) 8.123 7.960 ( 1.326 0.000 8.186) 8.293 8.153 ( 3.727 0.000 -5.953) 7.024 8.367 ( -8.230 0.000 7.330) 11.021 8.567 ( 8.028 0.000 -10.944) 13.573 8.725 ( 0.108 0.000 6.692) 6.693 8.776 ( -7.288 0.000 6.611) 9.840 8.920 ( -1.961 0.000 7.688) 7.934 8.962 ( 7.239 0.000 0.016) 7.239 9.148 ( 3.580 0.000 -2.879) 4.594 9.206 ( -0.544 0.000 -9.345) 9.361 9.448 ( -1.043 0.000 7.153) 7.229 9.547 ( -2.737 0.000 1.401) 3.074 9.686 ( 5.537 0.000 1.156) 5.656 9.816 ( -5.036 0.000 -6.450) 8.183 10.695 ( -1.268 0.000 0.713) 1.454 10.725 ( 0.767 0.000 -1.994) 2.137 11.116 ( 0.970 0.000 1.761) 2.010 11.139 ( -2.749 0.000 0.521) 2.798 11.309 ( -1.957 0.000 3.646) 4.138 11.342 ( 4.571 0.000 2.577) 5.247 11.534 ( -2.915 0.000 7.270) 7.833 11.638 ( 3.456 0.000 -5.326) 6.349 11.686 ( -2.878 0.000 -5.453) 6.166 11.765 ( 0.286 0.000 -6.465) 6.472 12.131 ( 0.073 0.000 1.289) 1.291 12.157 ( -0.785 0.000 -0.722) 1.067 14.825 ( 4.333 0.000 1.545) 4.601 14.884 ( -4.981 0.000 -3.059) 5.845 19.734 ( 10.417 0.000 15.113) 18.355 20.081 ( -6.223 0.000 -15.089) 16.321 20.995 ( -0.794 0.000 4.714) 4.781 21.102 ( -9.622 0.000 13.916) 16.918 21.103 ( -0.838 0.000 -5.321) 5.387 21.403 ( 5.998 0.000 -11.524) 12.991 21.884 ( 5.458 0.000 0.717) 5.505 21.954 ( -3.599 0.000 -5.269) 6.381 22.599 ( 1.669 0.000 2.370) 2.899 22.653 ( -2.225 0.000 -2.650) 3.460 23.187 ( -3.155 0.000 2.096) 3.788 23.250 ( 2.795 0.000 -3.441) 4.433 23.672 ( 10.060 0.000 2.645) 10.402 23.697 ( -9.151 0.000 0.308) 9.156 ======================= Grid point 147 (65/96) ======================= q-point: (-0.33 0.00 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -36.937 0.000 -1.487) 36.967 1.379 ( -24.319 0.000 18.423) 30.509 1.959 ( -8.885 0.000 -3.340) 9.492 2.380 ( 20.729 0.000 -4.402) 21.191 2.531 ( -17.629 0.000 9.942) 20.239 2.889 ( 9.627 0.000 -23.057) 24.986 2.983 ( 12.531 0.000 17.511) 21.532 3.098 ( -11.843 0.000 -13.240) 17.763 3.102 ( 27.898 0.000 3.975) 28.180 3.398 ( 2.336 0.000 8.836) 9.140 3.444 ( -8.404 0.000 11.966) 14.622 3.835 ( 3.304 0.000 -0.597) 3.357 3.924 ( 4.128 0.000 -0.437) 4.151 4.096 ( -3.089 0.000 1.968) 3.662 4.136 ( 4.723 0.000 2.526) 5.356 4.247 ( 4.065 0.000 10.616) 11.368 4.443 ( -0.717 0.000 -9.533) 9.560 4.458 ( -1.294 0.000 -5.741) 5.885 4.675 ( -4.997 0.000 3.394) 6.041 4.693 ( 0.749 0.000 4.024) 4.093 4.754 ( 1.621 0.000 -7.857) 8.023 4.940 ( 1.944 0.000 -1.829) 2.669 5.012 ( -4.180 0.000 2.389) 4.815 5.109 ( -6.129 0.000 4.152) 7.403 5.178 ( -7.994 0.000 3.779) 8.842 5.215 ( 7.452 0.000 -1.203) 7.548 5.274 ( 2.460 0.000 4.550) 5.172 5.408 ( -6.812 0.000 -3.043) 7.461 5.455 ( -3.829 0.000 3.577) 5.240 5.494 ( -3.653 0.000 -9.282) 9.975 5.534 ( 1.047 0.000 -1.621) 1.930 5.638 ( 1.784 0.000 -4.589) 4.924 5.690 ( 0.350 0.000 2.581) 2.604 5.786 ( -2.823 0.000 3.586) 4.564 5.844 ( 4.101 0.000 -1.873) 4.508 5.966 ( -1.397 0.000 -2.003) 2.442 6.123 ( 3.963 0.000 2.333) 4.598 6.276 ( 7.207 0.000 2.843) 7.748 6.404 ( 7.762 0.000 0.202) 7.765 6.483 ( 10.791 0.000 -14.873) 18.375 6.548 ( -3.908 0.000 5.648) 6.868 6.637 ( 3.893 0.000 -4.584) 6.014 6.934 ( -1.593 0.000 -3.108) 3.492 6.982 ( 0.473 0.000 1.162) 1.255 7.411 ( 3.303 0.000 0.519) 3.343 7.541 ( 5.620 0.000 -0.458) 5.639 7.688 ( 5.893 0.000 -0.919) 5.964 7.771 ( 8.981 0.000 5.026) 10.292 7.993 ( -4.229 0.000 7.317) 8.452 7.996 ( -11.132 0.000 -13.573) 17.554 8.208 ( -15.067 0.000 8.041) 17.079 8.512 ( -2.433 0.000 -9.794) 10.092 8.647 ( -10.567 0.000 2.654) 10.895 8.699 ( -12.358 0.000 5.013) 13.336 8.898 ( 0.533 0.000 1.880) 1.953 8.990 ( -3.046 0.000 -1.540) 3.414 9.160 ( 3.286 0.000 -4.792) 5.810 9.172 ( 2.796 0.000 -7.468) 7.974 9.588 ( 4.401 0.000 3.720) 5.763 9.618 ( 8.062 0.000 7.950) 11.323 9.663 ( -2.754 0.000 -6.683) 7.228 9.836 ( 5.913 0.000 4.211) 7.259 10.696 ( 0.028 0.000 1.721) 1.721 10.741 ( 2.347 0.000 -0.637) 2.432 11.087 ( -3.197 0.000 0.883) 3.317 11.147 ( 0.075 0.000 2.255) 2.256 11.298 ( -1.099 0.000 -0.435) 1.181 11.376 ( -1.411 0.000 -4.761) 4.966 11.521 ( -3.304 0.000 1.600) 3.671 11.660 ( 2.388 0.000 -4.603) 5.186 11.671 ( 1.689 0.000 9.654) 9.801 11.713 ( 0.922 0.000 -2.632) 2.788 12.131 ( -1.145 0.000 -1.018) 1.532 12.140 ( -0.924 0.000 2.068) 2.265 14.759 ( -4.716 0.000 -1.913) 5.089 14.924 ( 2.963 0.000 2.618) 3.953 19.748 ( -9.125 0.000 -17.899) 20.091 20.029 ( 4.803 0.000 11.704) 12.651 21.029 ( -2.618 0.000 6.795) 7.282 21.060 ( 0.927 0.000 -3.199) 3.331 21.115 ( -3.841 0.000 16.187) 16.637 21.444 ( 9.712 0.000 -11.154) 14.790 21.851 ( -1.617 0.000 -3.839) 4.165 21.993 ( 4.326 0.000 1.034) 4.448 22.598 ( -1.138 0.000 -1.929) 2.239 22.673 ( 3.253 0.000 2.785) 4.283 23.122 ( -6.309 0.000 3.117) 7.037 23.258 ( 1.463 0.000 -2.397) 2.808 23.536 ( -6.123 0.000 -1.163) 6.232 23.886 ( 9.315 0.000 -1.025) 9.371 ======================= Grid point 148 (66/96) ======================= q-point: (-0.17 0.00 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 4.365 0.000 36.663) 36.922 1.264 ( -11.780 0.000 29.553) 31.815 1.843 ( 1.609 0.000 0.217) 1.623 2.147 ( -33.934 0.000 27.253) 43.523 2.607 ( -10.873 0.000 -26.120) 28.293 2.849 ( 24.874 0.000 -2.077) 24.960 2.973 ( 17.678 0.000 -16.012) 23.851 3.323 ( -6.010 0.000 4.379) 7.436 3.383 ( -8.642 0.000 -1.209) 8.727 3.516 ( 6.194 0.000 14.950) 16.183 3.520 ( 13.229 0.000 -1.354) 13.298 3.844 ( -14.152 0.000 -11.193) 18.043 4.022 ( 12.438 0.000 2.931) 12.779 4.084 ( 1.089 0.000 4.666) 4.792 4.243 ( -1.005 0.000 1.046) 1.451 4.271 ( -5.478 0.000 0.006) 5.478 4.299 ( 2.910 0.000 -6.924) 7.511 4.409 ( -2.283 0.000 -2.177) 3.154 4.637 ( 0.216 0.000 -0.022) 0.217 4.687 ( -0.144 0.000 -2.970) 2.973 4.832 ( 3.626 0.000 9.801) 10.451 4.898 ( -9.574 0.000 -0.900) 9.616 4.909 ( -2.769 0.000 1.121) 2.988 5.054 ( -2.765 0.000 -3.179) 4.213 5.077 ( 0.832 0.000 -2.856) 2.975 5.137 ( -2.149 0.000 -5.823) 6.207 5.326 ( 5.470 0.000 -3.172) 6.323 5.374 ( -0.378 0.000 -4.317) 4.333 5.480 ( 2.395 0.000 0.193) 2.403 5.492 ( -1.412 0.000 13.936) 14.007 5.605 ( 0.876 0.000 3.135) 3.255 5.657 ( 2.097 0.000 0.616) 2.185 5.734 ( 0.805 0.000 0.018) 0.805 5.824 ( 3.668 0.000 4.576) 5.865 5.930 ( 3.824 0.000 -4.100) 5.607 6.014 ( 6.279 0.000 5.037) 8.049 6.061 ( -3.617 0.000 -11.129) 11.702 6.210 ( -1.366 0.000 -2.250) 2.633 6.510 ( 5.666 0.000 -10.028) 11.518 6.524 ( -6.124 0.000 9.451) 11.262 6.555 ( 8.065 0.000 -2.579) 8.467 6.817 ( 11.769 0.000 -6.263) 13.331 6.935 ( 2.683 0.000 2.320) 3.547 7.009 ( 0.932 0.000 2.175) 2.367 7.578 ( -9.347 0.000 -2.191) 9.600 7.598 ( 2.469 0.000 -3.433) 4.229 7.650 ( 6.749 0.000 5.572) 8.752 7.820 ( 6.247 0.000 -0.526) 6.269 7.859 ( -2.549 0.000 -0.783) 2.666 8.002 ( -8.094 0.000 4.646) 9.332 8.130 ( 3.775 0.000 15.421) 15.876 8.342 ( -3.041 0.000 -10.448) 10.881 8.427 ( -14.032 0.000 0.081) 14.032 8.525 ( -7.510 0.000 3.446) 8.263 8.904 ( -2.845 0.000 -0.768) 2.947 8.905 ( -1.444 0.000 -4.865) 5.075 9.078 ( -5.427 0.000 -9.501) 10.942 9.100 ( -0.808 0.000 -9.939) 9.972 9.643 ( 6.389 0.000 -2.308) 6.793 9.692 ( -1.141 0.000 7.721) 7.805 9.874 ( 8.065 0.000 7.750) 11.185 9.973 ( 4.859 0.000 2.678) 5.548 10.723 ( 0.189 0.000 3.286) 3.292 10.793 ( 2.895 0.000 0.227) 2.904 11.045 ( -2.855 0.000 2.812) 4.007 11.159 ( -0.985 0.000 1.297) 1.628 11.238 ( -7.412 0.000 -0.415) 7.424 11.265 ( 1.695 0.000 -6.286) 6.510 11.509 ( -1.925 0.000 4.302) 4.713 11.615 ( -0.178 0.000 -4.422) 4.425 11.784 ( 4.119 0.000 2.955) 5.069 11.870 ( 10.234 0.000 4.579) 11.212 12.089 ( -1.483 0.000 -2.221) 2.671 12.127 ( -3.143 0.000 2.399) 3.954 14.693 ( -1.357 0.000 0.793) 1.572 14.930 ( -3.342 0.000 -2.146) 3.971 19.605 ( 10.078 0.000 -3.567) 10.691 20.106 ( -5.692 0.000 5.572) 7.966 21.020 ( -6.392 0.000 9.258) 11.250 21.067 ( 2.335 0.000 -2.489) 3.413 21.255 ( 2.606 0.000 12.795) 13.058 21.533 ( 10.146 0.000 -10.477) 14.584 21.845 ( 3.356 0.000 -0.724) 3.434 22.039 ( -0.189 0.000 -0.305) 0.359 22.579 ( 0.605 0.000 -0.458) 0.759 22.724 ( -1.488 0.000 -0.142) 1.495 23.079 ( -0.832 0.000 7.867) 7.911 23.270 ( 1.775 0.000 -1.164) 2.122 23.456 ( -1.499 0.000 -1.079) 1.847 23.888 ( -5.767 0.000 -9.042) 10.725 ======================= Grid point 149 (67/96) ======================= q-point: ( 0.00 0.10 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 5.249 -14.838 34.745) 38.143 1.770 ( -9.807 6.797 27.818) 30.269 1.955 ( 4.443 -10.310 -17.715) 20.973 2.146 ( 3.135 2.516 -8.995) 9.853 2.321 ( 18.766 19.789 27.088) 38.439 2.834 ( -13.627 -0.869 -19.287) 23.632 3.059 ( -7.182 -8.927 2.804) 11.796 3.130 ( 4.161 -4.649 -3.711) 7.260 3.198 ( -8.795 -4.627 -4.323) 10.837 3.361 ( 5.729 -5.810 -13.286) 15.592 3.655 ( -3.613 2.361 5.751) 7.190 3.713 ( 2.307 0.138 3.302) 4.031 4.018 ( 1.683 -12.561 4.534) 13.460 4.103 ( 1.755 -6.330 8.773) 10.959 4.148 ( -1.292 -11.282 -4.766) 12.315 4.198 ( 0.544 -3.595 2.768) 4.569 4.283 ( 3.802 -6.824 0.606) 7.835 4.354 ( -4.938 -3.948 -4.686) 7.870 4.480 ( 1.627 -6.119 -2.135) 6.682 4.581 ( -7.792 -0.821 -4.132) 8.858 4.731 ( 3.631 -4.632 3.411) 6.803 4.816 ( -1.904 -5.703 3.126) 6.777 4.908 ( -1.256 2.361 -10.056) 10.406 4.999 ( 3.119 -6.461 -10.732) 12.909 5.088 ( 1.440 -0.014 5.839) 6.014 5.207 ( 4.492 -0.161 1.244) 4.664 5.249 ( 4.275 -0.704 -0.476) 4.358 5.351 ( -5.152 2.704 -2.041) 6.165 5.519 ( 2.614 -4.900 4.485) 7.138 5.589 ( 0.812 -1.915 -0.604) 2.166 5.624 ( -0.111 -0.947 0.813) 1.253 5.688 ( -5.226 -3.217 -2.380) 6.582 5.744 ( 1.423 6.868 4.132) 8.141 5.833 ( 1.633 6.424 -2.585) 7.114 5.979 ( -2.231 3.985 3.745) 5.906 6.097 ( 0.519 7.782 -9.020) 11.925 6.179 ( -0.043 5.193 8.323) 9.810 6.351 ( 2.352 8.997 -2.023) 9.516 6.530 ( 3.052 -2.156 -4.921) 6.178 6.571 ( -5.770 4.368 3.964) 8.251 6.664 ( -0.427 3.146 -1.617) 3.563 6.878 ( 0.868 4.553 -9.726) 10.774 7.006 ( -2.284 0.257 2.571) 3.448 7.082 ( 5.487 0.570 -3.707) 6.646 7.412 ( -2.154 -2.589 4.803) 5.866 7.507 ( -1.038 -4.324 -3.055) 5.395 7.773 ( 0.703 -2.912 3.546) 4.643 7.814 ( -3.163 -3.633 3.953) 6.231 7.923 ( 4.496 -1.407 -1.627) 4.984 7.974 ( 1.204 -2.260 0.959) 2.735 8.087 ( -5.656 -4.853 1.151) 7.541 8.238 ( 4.626 -5.437 -3.860) 8.115 8.316 ( 3.028 -4.956 6.459) 8.687 8.492 ( 2.226 -3.425 -2.736) 4.916 8.807 ( -1.925 -0.862 -9.394) 9.628 8.824 ( -1.529 0.730 -5.727) 5.973 8.918 ( -5.607 3.610 3.965) 7.759 9.033 ( 4.452 1.459 -6.731) 8.201 9.610 ( -6.843 -4.690 7.560) 11.224 9.718 ( 5.178 -3.888 -1.714) 6.698 9.961 ( -5.071 -3.020 9.462) 11.152 10.072 ( 3.044 1.103 -0.467) 3.271 10.793 ( -0.348 3.172 3.507) 4.741 10.851 ( 0.732 2.311 -1.066) 2.648 11.041 ( -2.380 -0.324 6.073) 6.531 11.136 ( -3.411 1.299 -1.433) 3.922 11.143 ( 0.347 -1.194 2.413) 2.715 11.244 ( 3.463 -1.358 -5.563) 6.692 11.527 ( -0.241 1.018 3.107) 3.278 11.609 ( 1.507 0.927 -3.778) 4.172 11.909 ( 2.534 1.410 3.241) 4.349 11.990 ( -2.415 1.158 -3.795) 4.644 12.084 ( 1.581 -0.038 1.542) 2.208 12.107 ( 2.481 2.882 -0.781) 3.882 14.741 ( 4.462 0.585 1.088) 4.629 14.803 ( -5.314 -0.681 -3.987) 6.678 19.840 ( -10.636 -7.935 1.263) 13.330 19.885 ( 17.062 -7.152 -2.923) 18.730 20.977 ( -6.130 -0.332 8.000) 10.084 21.090 ( 3.122 -0.286 -2.074) 3.759 21.452 ( -2.144 4.471 3.938) 6.332 21.572 ( 6.477 -2.176 -4.869) 8.390 21.830 ( -7.217 -8.331 6.658) 12.877 21.930 ( 6.386 -2.462 -1.871) 7.095 22.671 ( -3.867 3.893 0.449) 5.505 22.711 ( 2.451 6.428 -3.074) 7.535 23.279 ( 3.528 5.748 9.506) 11.655 23.371 ( 1.349 4.690 0.616) 4.919 23.447 ( 4.358 -3.491 1.796) 5.865 23.628 ( -10.625 7.321 -13.183) 18.447 ======================= Grid point 150 (68/96) ======================= q-point: ( 0.17 0.10 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 1.633 -5.598 14.117) 15.274 1.680 ( 2.306 -9.925 -24.225) 26.281 1.916 ( 8.227 -0.296 23.017) 24.445 2.167 ( -8.678 12.282 -30.301) 33.827 2.465 ( 10.627 1.152 3.319) 11.193 2.707 ( -15.728 -8.908 -6.767) 19.300 2.813 ( -16.986 1.838 2.692) 17.296 3.165 ( 21.082 7.212 20.367) 30.187 3.302 ( 3.553 -14.737 -1.091) 15.199 3.523 ( 4.942 -2.935 -6.436) 8.629 3.609 ( 3.174 -3.666 9.715) 10.858 3.787 ( 2.747 -1.353 -3.625) 4.745 3.954 ( -8.830 -9.734 -3.332) 13.558 4.051 ( -2.327 -10.678 0.827) 10.960 4.096 ( -7.300 -7.838 -4.565) 11.643 4.218 ( 3.891 -3.651 0.745) 5.387 4.287 ( 3.193 -5.509 3.736) 7.383 4.425 ( -0.750 0.182 -1.293) 1.506 4.445 ( 8.265 -3.172 2.791) 9.283 4.690 ( 5.606 0.871 2.044) 6.031 4.765 ( 0.843 -9.438 -1.145) 9.544 4.835 ( -2.208 -3.549 1.868) 4.578 4.914 ( 6.516 1.158 2.211) 6.977 4.949 ( 3.357 -6.260 -3.929) 8.118 5.108 ( -5.319 2.314 -5.890) 8.266 5.200 ( -1.907 -3.232 -6.865) 7.824 5.209 ( 1.221 -1.552 1.400) 2.421 5.363 ( 1.466 5.337 4.967) 7.436 5.496 ( -6.074 -4.740 -1.684) 7.886 5.558 ( -6.058 -1.475 3.311) 7.060 5.617 ( 1.764 0.221 0.262) 1.797 5.706 ( 3.710 -3.295 1.338) 5.139 5.771 ( -0.746 3.275 -1.502) 3.679 5.873 ( -6.123 3.475 -3.862) 8.030 5.913 ( 4.787 2.907 -3.615) 6.667 5.987 ( -3.029 5.993 10.062) 12.097 6.226 ( -9.288 3.957 -12.100) 15.759 6.270 ( -8.531 10.735 6.183) 15.042 6.416 ( -10.830 2.973 -5.609) 12.554 6.523 ( 4.625 2.970 6.222) 8.302 6.590 ( -5.820 0.687 5.568) 8.084 6.806 ( -0.925 7.533 -3.296) 8.274 7.009 ( 1.823 -0.914 0.428) 2.083 7.122 ( 3.061 0.202 -7.181) 7.809 7.505 ( 2.876 -4.783 3.601) 6.642 7.543 ( 7.462 -2.509 0.052) 7.873 7.686 ( -9.190 -1.262 -1.635) 9.420 7.769 ( -5.906 0.424 7.970) 9.929 7.832 ( -3.890 -3.833 -6.471) 8.467 8.020 ( 5.817 -6.827 -1.077) 9.033 8.177 ( 7.226 -0.616 0.317) 7.259 8.411 ( 10.054 -5.100 2.627) 11.575 8.419 ( 1.024 -6.738 -13.397) 15.031 8.470 ( 4.612 -3.736 6.645) 8.910 8.786 ( 2.965 1.313 0.330) 3.259 8.835 ( 4.448 1.693 -0.554) 4.792 8.921 ( 2.662 -2.096 5.208) 6.213 9.090 ( 6.034 1.223 -4.311) 7.516 9.525 ( -7.886 -1.589 6.207) 10.161 9.729 ( -5.191 -2.662 1.146) 5.945 9.888 ( -7.442 -4.597 3.064) 9.269 10.054 ( -2.795 1.806 -3.573) 4.883 10.757 ( -3.292 0.057 0.371) 3.313 10.860 ( -1.373 4.467 -1.235) 4.833 11.053 ( -2.892 -1.374 1.370) 3.483 11.084 ( 1.751 -0.473 5.247) 5.552 11.213 ( 2.035 2.475 1.456) 3.520 11.266 ( 3.701 -1.626 -3.860) 5.589 11.553 ( -0.812 3.047 3.793) 4.933 11.621 ( 3.967 -0.408 -5.184) 6.540 11.882 ( -4.926 -1.481 -2.013) 5.524 11.952 ( -4.381 1.391 -4.876) 6.701 12.005 ( 2.795 1.929 2.221) 4.058 12.215 ( 3.274 2.858 -1.600) 4.631 14.701 ( -1.300 -3.349 -1.909) 4.068 14.887 ( 6.741 1.490 2.518) 7.349 19.546 ( -13.337 -4.036 -1.314) 13.996 20.143 ( 10.567 -8.278 -6.731) 15.016 20.955 ( -4.013 -0.449 7.526) 8.541 21.142 ( 4.131 -0.635 -2.210) 4.728 21.348 ( -11.212 0.056 5.988) 12.711 21.554 ( -1.950 1.327 -9.496) 9.785 21.808 ( 1.851 -4.303 2.142) 5.150 22.032 ( 4.791 0.075 -4.312) 6.446 22.639 ( -1.450 6.616 2.926) 7.378 22.751 ( 3.224 2.837 -0.721) 4.355 23.258 ( -4.193 2.816 -2.987) 5.868 23.357 ( -5.788 3.996 -3.789) 7.989 23.453 ( 5.053 7.014 -1.625) 8.796 23.656 ( 5.996 -2.911 9.783) 11.838 ======================= Grid point 151 (69/96) ======================= q-point: ( 0.33 0.10 -0.60) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 20.077 1.303 -20.906) 29.015 1.865 ( 10.734 1.380 -1.853) 10.980 1.903 ( 8.447 6.791 -12.366) 16.443 2.208 ( -24.838 -7.181 -1.268) 25.886 2.427 ( 14.629 -8.812 23.891) 29.368 2.568 ( -10.916 3.125 7.503) 13.609 2.700 ( 2.124 0.309 -0.723) 2.265 3.164 ( -15.954 -0.190 0.705) 15.971 3.398 ( -1.899 -8.586 -13.125) 15.799 3.499 ( 5.318 -7.844 -6.792) 11.660 3.659 ( -2.533 -10.391 -5.021) 11.815 3.754 ( -0.651 -6.607 -0.090) 6.640 3.842 ( -5.099 -9.435 -7.217) 12.927 4.010 ( -0.662 -11.414 1.082) 11.485 4.135 ( 2.446 -4.382 2.326) 5.531 4.283 ( 1.483 -3.104 -2.940) 4.525 4.370 ( 5.504 3.103 -3.532) 7.239 4.491 ( 1.417 -1.071 3.749) 4.148 4.600 ( 0.786 -3.576 1.725) 4.047 4.612 ( -0.756 5.556 3.108) 6.411 4.818 ( -1.231 -5.987 -4.000) 7.305 4.875 ( -2.180 -1.849 0.454) 2.894 4.948 ( 5.055 -8.656 1.809) 10.186 4.966 ( 5.404 0.632 16.521) 17.393 5.089 ( 1.927 0.716 -4.167) 4.647 5.209 ( 0.059 -1.436 1.527) 2.097 5.255 ( 7.910 -5.869 -1.910) 10.033 5.314 ( -6.422 2.966 -2.874) 7.635 5.431 ( -2.545 -4.690 0.654) 5.376 5.472 ( -6.226 3.854 5.850) 9.373 5.573 ( -7.838 -0.781 -0.390) 7.886 5.656 ( -2.632 -0.813 -3.459) 4.421 5.740 ( 4.749 -2.364 -3.926) 6.599 5.781 ( -4.213 3.206 0.519) 5.320 5.911 ( -1.613 3.134 1.367) 3.780 5.979 ( -2.180 2.852 -0.778) 3.673 6.140 ( -1.784 -0.174 7.562) 7.771 6.192 ( -2.118 12.185 5.141) 13.393 6.293 ( -0.803 5.399 4.795) 7.265 6.496 ( -3.993 0.971 -0.592) 4.152 6.662 ( 5.832 4.913 -4.792) 9.006 6.800 ( 0.979 10.048 1.421) 10.195 7.039 ( 1.761 0.275 -1.664) 2.438 7.057 ( -0.307 2.097 -9.716) 9.945 7.403 ( -10.297 -2.258 -2.646) 10.869 7.535 ( -4.885 3.284 -0.215) 5.890 7.715 ( 1.220 -5.887 -5.053) 7.853 7.761 ( 5.720 0.130 5.217) 7.743 7.830 ( 1.052 -0.248 2.851) 3.049 8.014 ( 0.923 -8.448 -4.495) 9.614 8.319 ( 2.704 -2.966 5.877) 7.117 8.420 ( 12.221 -5.791 -13.325) 18.986 8.584 ( 5.687 -9.311 6.263) 12.580 8.648 ( 5.220 0.881 6.900) 8.697 8.851 ( -0.176 0.959 6.157) 6.233 8.894 ( 1.904 1.874 1.502) 3.065 9.070 ( 7.981 -8.190 -3.042) 11.833 9.134 ( 2.057 0.123 -2.792) 3.470 9.494 ( -1.272 -0.033 6.367) 6.493 9.576 ( -11.791 -0.063 5.122) 12.856 9.749 ( -6.123 -1.212 -3.809) 7.312 9.935 ( -4.125 -1.661 -6.245) 7.666 10.709 ( -1.391 -0.898 -0.612) 1.765 10.786 ( -3.293 2.258 -2.332) 4.623 11.050 ( -0.327 -2.271 3.678) 4.335 11.200 ( 3.545 2.470 4.363) 6.140 11.226 ( 0.478 1.035 -1.286) 1.719 11.302 ( 1.034 -0.652 1.131) 1.665 11.559 ( -3.291 3.073 5.575) 7.167 11.640 ( 3.342 0.544 -5.518) 6.474 11.782 ( -1.461 -3.719 -4.305) 5.874 11.834 ( -1.671 2.820 -8.168) 8.801 12.081 ( 2.357 0.531 2.684) 3.611 12.222 ( -0.334 3.827 -1.375) 4.080 14.708 ( 2.476 -3.718 0.702) 4.522 14.978 ( 0.521 1.644 -0.563) 1.814 19.445 ( 1.569 -2.868 6.315) 7.111 20.164 ( 0.847 -8.333 -9.811) 12.900 20.969 ( -2.244 -0.307 7.287) 7.631 21.175 ( -0.319 0.408 -1.402) 1.495 21.203 ( -8.965 1.450 6.984) 11.457 21.428 ( -0.161 -1.643 -9.850) 9.987 21.861 ( 3.163 3.715 -2.114) 5.318 22.017 ( -0.060 -1.634 -6.342) 6.549 22.657 ( -0.291 8.665 3.555) 9.370 22.779 ( -0.316 5.295 -0.412) 5.320 23.204 ( 3.234 -0.560 -4.484) 5.557 23.260 ( -3.235 2.652 -0.879) 4.275 23.543 ( 5.881 4.675 -0.213) 7.516 23.765 ( -3.798 -2.946 7.031) 8.517 ======================= Grid point 152 (70/96) ======================= q-point: (-0.50 0.10 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( -25.601 -3.223 6.159) 26.528 1.920 ( 18.091 -1.949 -9.474) 20.515 2.004 ( -9.089 6.481 -1.247) 11.232 2.058 ( 17.827 4.162 -9.026) 20.410 2.571 ( 6.285 2.533 15.472) 16.891 2.681 ( 2.581 -1.572 1.429) 3.343 2.750 ( -7.253 -3.113 -0.574) 7.914 2.967 ( 4.474 -5.270 5.204) 8.653 3.148 ( 1.057 -1.611 -13.992) 14.124 3.405 ( -8.549 -11.457 -16.490) 21.824 3.564 ( -13.760 -4.879 3.732) 15.069 3.609 ( -0.888 -17.260 -0.586) 17.292 3.827 ( -7.105 -4.135 5.462) 9.869 3.903 ( 3.735 -9.290 2.010) 10.212 4.189 ( -1.861 -0.285 0.667) 1.997 4.302 ( 6.801 2.511 -5.259) 8.956 4.366 ( -3.930 -2.069 3.694) 5.776 4.481 ( 6.132 2.684 -5.109) 8.420 4.597 ( -1.339 -8.428 0.797) 8.571 4.675 ( -2.422 -7.727 -4.352) 9.193 4.816 ( 4.723 0.589 3.398) 5.848 4.874 ( -3.236 0.969 1.693) 3.779 4.981 ( -3.530 -10.868 -1.132) 11.483 5.027 ( 1.177 -9.899 -5.809) 11.538 5.116 ( -0.334 -4.041 5.158) 6.561 5.194 ( 0.099 -1.468 -1.542) 2.132 5.273 ( -0.332 1.517 3.930) 4.225 5.349 ( 1.610 0.627 -3.528) 3.928 5.417 ( -3.003 -4.687 2.609) 6.148 5.474 ( 2.023 -2.409 -2.071) 3.766 5.609 ( -1.253 0.692 5.338) 5.526 5.631 ( 0.999 1.618 4.830) 5.191 5.733 ( -0.421 -1.297 7.863) 7.980 5.881 ( 5.635 3.557 8.513) 10.811 5.905 ( -1.282 7.771 3.411) 8.583 6.020 ( 7.820 8.039 4.239) 11.990 6.112 ( -3.347 6.744 -2.633) 7.976 6.187 ( -0.186 8.991 2.173) 9.251 6.303 ( -1.200 3.271 -4.764) 5.902 6.439 ( 5.878 -3.848 -15.215) 16.759 6.681 ( -0.806 5.841 -1.600) 6.110 6.789 ( 0.435 7.958 -8.257) 11.476 7.001 ( 1.841 2.973 0.552) 3.540 7.056 ( -0.064 8.057 -1.733) 8.242 7.335 ( 3.756 -3.134 8.438) 9.754 7.450 ( -4.520 1.151 -1.312) 4.845 7.666 ( 1.117 -1.542 -4.190) 4.602 7.705 ( -3.562 -0.594 -7.118) 7.981 7.931 ( 0.566 -2.483 7.583) 7.999 8.097 ( 6.060 -5.564 -4.207) 9.240 8.320 ( -8.664 -5.448 5.897) 11.812 8.505 ( 7.124 -7.142 -11.125) 15.017 8.690 ( -4.651 -7.653 8.091) 12.069 8.766 ( -0.633 2.046 7.917) 8.202 8.883 ( 1.332 -7.162 -1.419) 7.421 8.948 ( -1.033 3.016 5.777) 6.598 9.097 ( 2.313 -5.411 -5.701) 8.194 9.173 ( 4.783 -1.780 -5.461) 7.475 9.458 ( -2.702 0.757 8.080) 8.553 9.541 ( -3.639 -0.026 4.850) 6.063 9.690 ( 4.650 0.565 -2.284) 5.211 9.790 ( -3.408 -2.208 -7.101) 8.181 10.693 ( -1.001 -0.242 0.641) 1.213 10.726 ( 0.513 -0.072 -2.439) 2.493 11.101 ( 1.117 -0.831 4.661) 4.865 11.169 ( -2.898 2.371 -1.401) 3.998 11.299 ( -1.266 -0.688 3.550) 3.831 11.343 ( 3.871 -0.122 0.914) 3.979 11.550 ( -3.429 1.531 6.584) 7.579 11.651 ( 3.430 1.453 -4.358) 5.733 11.705 ( -4.156 1.512 -5.546) 7.094 11.746 ( 1.697 -2.304 -6.461) 7.066 12.142 ( 1.255 2.183 2.688) 3.684 12.189 ( -1.510 3.302 -1.494) 3.926 14.801 ( 4.599 -1.693 3.930) 6.282 14.900 ( -4.810 0.908 -4.517) 6.661 19.672 ( 9.107 -5.899 13.395) 17.238 19.994 ( -5.946 -8.435 -15.145) 18.327 21.019 ( -0.500 1.926 8.633) 8.859 21.099 ( -8.949 0.340 11.299) 14.417 21.164 ( 0.219 4.994 -4.856) 6.969 21.368 ( 4.685 -3.378 -10.921) 12.354 21.870 ( -2.510 -0.752 0.779) 2.734 21.962 ( 2.876 0.709 -6.695) 7.320 22.694 ( 0.796 9.245 3.317) 9.855 22.750 ( -0.793 8.866 -1.909) 9.104 23.192 ( -4.424 -0.039 1.319) 4.617 23.245 ( 3.476 -0.999 -3.121) 4.777 23.674 ( -7.710 -0.848 2.236) 8.073 23.699 ( 9.478 3.119 0.187) 9.979 ======================= Grid point 153 (71/96) ======================= q-point: (-0.33 0.10 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( -27.372 1.152 8.762) 28.763 1.474 ( -28.408 12.015 6.304) 31.482 1.966 ( -8.055 0.326 -2.386) 8.407 2.308 ( 22.132 -5.457 -8.608) 24.366 2.566 ( -16.412 3.339 9.410) 19.211 2.880 ( 8.185 -4.572 -13.550) 16.477 2.906 ( -5.633 -7.790 -12.921) 16.105 3.014 ( 12.612 -0.380 12.306) 17.625 3.137 ( 16.863 -0.065 0.752) 16.880 3.342 ( 3.084 -4.790 7.852) 9.701 3.406 ( -6.138 -2.842 10.728) 12.683 3.699 ( 7.613 -14.702 4.986) 17.291 3.799 ( 1.927 -8.503 -2.667) 9.118 3.980 ( -1.020 -9.682 5.145) 11.011 4.141 ( 3.050 -1.756 1.308) 3.755 4.329 ( -5.429 -0.018 0.503) 5.452 4.351 ( -1.836 -4.199 -6.770) 8.175 4.530 ( 4.188 3.703 -4.281) 7.041 4.616 ( 1.057 -7.135 5.863) 9.295 4.649 ( 0.895 -5.167 3.112) 6.098 4.757 ( -4.746 2.249 -6.083) 8.037 4.918 ( -3.221 -8.540 5.116) 10.463 4.919 ( -1.173 -7.524 4.904) 9.057 5.009 ( -3.523 -1.636 -6.334) 7.430 5.100 ( -1.935 -5.306 4.098) 6.978 5.168 ( 3.410 -3.855 1.641) 5.402 5.279 ( 1.128 -2.654 -2.730) 3.971 5.340 ( -4.082 -3.249 4.638) 6.981 5.439 ( -3.920 0.344 -3.247) 5.101 5.537 ( 8.649 -0.650 -2.818) 9.120 5.610 ( -1.285 3.650 1.816) 4.274 5.633 ( 2.362 4.111 2.563) 5.390 5.752 ( -5.705 3.138 -7.423) 9.874 5.773 ( -4.852 -0.114 -0.762) 4.913 5.931 ( 2.910 9.246 1.462) 9.803 6.018 ( -2.194 4.320 -5.036) 6.988 6.177 ( 5.413 4.467 0.097) 7.019 6.297 ( 3.387 -1.209 0.932) 3.715 6.429 ( 7.479 1.418 -6.731) 10.162 6.486 ( 11.897 5.642 -4.942) 14.064 6.677 ( 4.142 8.865 3.972) 10.560 6.718 ( -0.285 5.286 -1.874) 5.616 6.990 ( -2.963 8.135 -2.825) 9.107 7.065 ( 1.728 7.170 -0.843) 7.423 7.370 ( 2.092 -4.022 -0.541) 4.566 7.543 ( 5.556 0.232 1.566) 5.778 7.662 ( 6.072 -2.844 0.195) 6.708 7.754 ( 6.300 -1.729 3.177) 7.264 7.932 ( -6.289 -3.333 1.008) 7.188 7.995 ( -6.349 -2.936 -11.079) 13.102 8.161 ( -14.388 -4.526 8.502) 17.314 8.468 ( -1.212 -6.827 -7.089) 9.916 8.570 ( -11.631 -6.013 4.016) 13.696 8.714 ( -12.515 0.812 3.529) 13.029 8.863 ( 1.462 -4.204 -0.214) 4.456 9.008 ( 1.303 3.104 3.507) 4.861 9.089 ( 2.274 -5.622 -6.889) 9.178 9.186 ( 2.955 -0.693 -9.367) 9.846 9.522 ( 0.488 -3.707 4.935) 6.192 9.616 ( 2.475 -1.820 7.622) 8.218 9.661 ( 1.524 0.611 -1.946) 2.546 9.832 ( 7.244 -0.363 0.667) 7.284 10.682 ( -0.121 -1.044 1.091) 1.515 10.764 ( 3.854 1.690 -0.035) 4.208 11.092 ( -3.882 0.598 -0.366) 3.945 11.163 ( 0.256 1.870 3.878) 4.313 11.280 ( -1.431 -1.768 -1.179) 2.562 11.369 ( -1.202 -0.828 -4.346) 4.585 11.543 ( -4.257 1.973 0.844) 4.768 11.627 ( 0.331 -3.534 8.919) 9.600 11.674 ( 1.966 1.208 -4.321) 4.898 11.744 ( 2.835 2.359 -0.747) 3.763 12.138 ( -2.075 1.999 -2.078) 3.553 12.179 ( -0.144 3.799 2.466) 4.531 14.763 ( -4.006 -0.136 -4.068) 5.711 14.931 ( 3.712 0.814 3.787) 5.365 19.683 ( -8.332 -6.364 -15.555) 18.759 19.935 ( 4.095 -8.806 11.031) 14.697 21.046 ( -5.920 1.085 8.085) 10.080 21.095 ( -0.855 3.764 0.446) 3.886 21.160 ( 1.309 3.244 9.138) 9.784 21.401 ( 9.038 -3.410 -9.143) 13.301 21.814 ( -3.704 -5.424 2.543) 7.043 21.977 ( 2.215 2.467 -3.118) 4.551 22.723 ( 0.318 10.200 -2.374) 10.477 22.755 ( 2.316 8.318 2.090) 8.883 23.102 ( -7.059 -2.669 3.348) 8.256 23.273 ( 2.156 0.658 -1.369) 2.638 23.540 ( -5.866 1.276 0.261) 6.008 23.897 ( 10.247 1.902 -4.155) 11.220 ======================= Grid point 154 (72/96) ======================= q-point: (-0.17 0.10 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -13.009 -3.069 26.825) 29.971 1.431 ( -1.131 13.477 31.338) 34.131 1.872 ( 2.082 2.835 0.494) 3.552 2.274 ( -27.123 11.624 21.895) 36.744 2.489 ( -10.577 -9.613 -23.746) 27.715 2.675 ( 21.512 -13.331 -4.305) 25.672 3.001 ( 16.019 0.977 -10.744) 19.313 3.222 ( -4.445 -8.368 1.435) 9.583 3.310 ( -2.542 -6.811 3.064) 7.890 3.457 ( 5.544 -1.754 5.244) 7.830 3.610 ( 7.733 3.938 5.525) 10.287 3.806 ( -3.389 -4.761 -5.492) 8.020 3.885 ( 4.068 -13.611 3.552) 14.643 3.942 ( -0.351 -12.898 1.703) 13.015 4.198 ( -6.172 -4.643 -0.018) 7.724 4.238 ( 1.701 -4.103 -8.153) 9.284 4.265 ( 0.005 -1.558 2.161) 2.664 4.450 ( -4.108 2.124 -3.883) 6.038 4.594 ( -3.617 -7.545 -1.891) 8.578 4.649 ( -3.642 -5.183 0.352) 6.344 4.787 ( 6.120 0.587 7.799) 9.931 4.821 ( -8.290 -8.065 1.072) 11.615 4.913 ( -1.565 1.833 0.045) 2.410 4.987 ( 2.861 -2.690 2.606) 4.713 5.102 ( -2.581 0.173 -10.484) 10.798 5.122 ( -1.848 -1.749 -3.260) 4.135 5.270 ( 2.307 -5.847 -3.987) 7.444 5.364 ( -0.039 -3.539 8.892) 9.570 5.407 ( 3.500 1.569 1.663) 4.180 5.597 ( -0.314 0.338 2.411) 2.455 5.643 ( -0.620 1.102 -2.589) 2.881 5.676 ( 2.434 3.009 0.506) 3.903 5.719 ( 4.127 1.565 -0.065) 4.414 5.838 ( 7.350 1.645 1.566) 7.693 5.933 ( -1.761 0.517 -2.927) 3.455 6.005 ( 2.262 0.826 2.028) 3.148 6.236 ( 3.812 9.933 -6.464) 12.449 6.272 ( 2.582 5.388 -1.310) 6.116 6.463 ( 2.855 -0.232 -2.644) 3.898 6.606 ( 6.728 3.498 -2.979) 8.148 6.711 ( -5.196 13.459 -1.237) 14.480 6.835 ( 11.256 2.557 -8.201) 14.159 6.967 ( 0.511 4.314 6.207) 7.576 7.058 ( 1.246 3.972 -3.846) 5.668 7.516 ( 5.261 -7.330 2.304) 9.312 7.575 ( -14.239 -2.767 -4.310) 15.133 7.647 ( 7.348 0.944 1.460) 7.551 7.750 ( 1.278 -3.629 -0.373) 3.866 7.882 ( 0.672 -0.086 1.200) 1.378 7.989 ( -3.561 -2.163 1.385) 4.391 8.072 ( 3.391 -5.886 13.746) 15.333 8.268 ( -9.181 -4.472 -6.733) 12.232 8.434 ( -10.135 -7.837 2.004) 12.968 8.511 ( -5.131 3.708 -2.776) 6.913 8.868 ( -0.891 -0.839 -0.345) 1.272 9.009 ( -4.850 -3.406 -1.107) 6.029 9.012 ( -1.118 3.906 -11.483) 12.181 9.082 ( -0.862 -1.811 -11.010) 11.191 9.581 ( 2.688 -4.237 3.401) 6.062 9.658 ( -0.011 -3.272 4.091) 5.238 9.848 ( 5.917 -2.463 9.741) 11.660 9.976 ( 6.039 -0.225 1.846) 6.319 10.723 ( 2.447 0.418 2.615) 3.606 10.841 ( 2.580 4.292 0.934) 5.094 11.033 ( -2.251 -1.026 1.667) 2.983 11.160 ( -4.909 0.292 3.531) 6.054 11.239 ( 0.711 -2.279 -5.692) 6.172 11.251 ( -4.107 1.101 -1.987) 4.693 11.510 ( -2.031 -0.359 4.201) 4.680 11.639 ( -0.530 2.184 -3.568) 4.217 11.823 ( 3.676 3.347 2.185) 5.430 11.831 ( 11.059 -3.392 7.139) 13.593 12.070 ( -2.435 1.017 -3.037) 4.023 12.175 ( -2.907 4.253 1.945) 5.507 14.696 ( 0.314 -0.523 -1.842) 1.941 14.948 ( -3.700 1.661 -2.322) 4.674 19.560 ( 8.861 -4.469 -2.874) 10.332 20.008 ( -5.397 -9.308 5.937) 12.288 21.014 ( -5.646 -0.572 7.794) 9.641 21.076 ( 0.191 1.569 -1.454) 2.147 21.321 ( 4.327 4.620 10.507) 12.266 21.504 ( 8.511 -2.165 -6.297) 10.806 21.801 ( -0.138 -9.954 3.058) 10.414 21.958 ( -3.220 2.139 0.609) 3.913 22.709 ( 1.066 9.760 -3.138) 10.307 22.763 ( -3.202 3.446 -1.619) 4.975 23.090 ( 1.735 0.770 9.457) 9.646 23.313 ( 2.647 2.809 0.737) 3.930 23.461 ( -2.765 1.546 -0.651) 3.234 23.907 ( -1.991 2.689 -12.665) 13.100 ======================= Grid point 155 (73/96) ======================= q-point: ( 0.00 0.20 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 3.178 4.987 25.904) 26.571 1.765 ( -1.540 -4.975 -24.956) 25.494 1.954 ( -1.684 8.766 21.995) 23.737 2.239 ( 1.897 5.199 -2.203) 5.956 2.546 ( 12.980 -8.275 4.737) 16.106 2.656 ( -2.182 -7.526 -5.571) 9.614 2.946 ( 2.187 7.992 14.437) 16.646 3.087 ( -9.696 -4.055 1.753) 10.655 3.185 ( 7.156 -7.047 -2.753) 10.414 3.297 ( -14.346 5.314 -16.554) 22.541 3.578 ( 5.347 -14.083 7.094) 16.651 3.692 ( -3.142 -4.969 0.091) 5.879 3.808 ( 5.471 -5.388 0.159) 7.680 3.880 ( -4.660 -7.315 -2.359) 8.988 3.968 ( 12.745 -14.589 6.943) 20.579 4.063 ( 1.085 -10.709 2.434) 11.035 4.145 ( -5.147 -3.405 0.709) 6.212 4.240 ( -14.258 -5.115 -2.849) 15.413 4.435 ( 1.372 -0.937 2.817) 3.270 4.542 ( -2.648 0.121 -0.851) 2.784 4.637 ( 1.527 -4.669 2.088) 5.338 4.752 ( 0.277 -3.003 4.386) 5.323 4.852 ( 3.820 -3.529 -14.049) 14.981 4.983 ( -2.716 -0.008 -8.617) 9.034 5.051 ( 0.303 -2.386 1.324) 2.745 5.151 ( 1.183 -3.485 -4.879) 6.111 5.276 ( 8.377 2.172 8.124) 11.870 5.391 ( 2.815 -5.771 4.220) 7.683 5.437 ( -3.065 1.652 -6.257) 7.161 5.523 ( -2.591 -5.956 -4.259) 7.767 5.575 ( 1.548 -0.631 2.731) 3.202 5.645 ( -1.668 -1.871 -3.834) 4.581 5.856 ( 1.863 3.798 4.040) 5.850 5.934 ( 0.033 4.629 -1.812) 4.971 6.051 ( -1.742 2.801 7.318) 8.027 6.147 ( 10.484 -0.794 4.842) 11.576 6.293 ( -6.674 1.375 -2.846) 7.385 6.483 ( 4.352 3.341 -6.073) 8.184 6.538 ( 0.186 4.332 -0.512) 4.366 6.642 ( -5.524 0.984 -6.055) 8.255 6.713 ( -6.015 1.078 6.504) 8.925 6.915 ( 1.943 1.416 -3.434) 4.192 7.056 ( 5.644 -3.259 -1.767) 6.752 7.076 ( -4.858 3.539 -3.151) 6.786 7.347 ( -5.020 -3.612 2.106) 6.533 7.403 ( 3.522 -5.769 -1.463) 6.915 7.712 ( 3.303 -3.383 -0.679) 4.776 7.744 ( -5.020 -4.224 1.249) 6.678 7.865 ( 5.414 -3.619 1.719) 6.735 7.942 ( -2.410 -2.338 1.517) 3.685 7.952 ( -4.495 -7.604 -1.271) 8.924 8.083 ( 6.152 -8.937 -2.604) 11.158 8.199 ( 2.446 -6.030 4.624) 7.983 8.399 ( -1.036 -5.744 -10.960) 12.418 8.781 ( -0.639 -1.302 -3.105) 3.427 8.817 ( -0.548 -1.494 -5.894) 6.105 9.017 ( -3.422 5.733 1.566) 6.857 9.085 ( 2.803 3.693 -3.747) 5.961 9.546 ( -5.383 -1.300 8.817) 10.412 9.679 ( 4.732 -0.225 -2.686) 5.446 9.883 ( -6.384 -4.344 12.619) 14.795 10.063 ( 5.083 -1.987 -3.063) 6.258 10.875 ( 0.126 5.000 2.466) 5.577 10.901 ( -0.356 2.352 0.565) 2.445 11.033 ( -4.065 -0.362 4.117) 5.797 11.112 ( 2.890 -1.442 -1.944) 3.770 11.180 ( -1.809 3.068 0.845) 3.660 11.230 ( 1.915 0.177 -2.816) 3.410 11.537 ( 2.834 -0.111 3.607) 4.588 11.622 ( -1.729 0.198 -3.381) 3.803 11.953 ( -0.638 2.929 3.085) 4.301 12.014 ( 3.125 1.714 -1.401) 3.830 12.128 ( 3.421 4.965 2.739) 6.623 12.194 ( -3.066 5.418 -2.755) 6.808 14.732 ( 6.624 -1.395 0.643) 6.800 14.797 ( -8.058 -0.235 -5.151) 9.566 19.658 ( -4.983 -10.235 2.437) 11.642 19.711 ( 10.423 -10.201 -2.085) 14.732 20.979 ( -5.189 0.844 6.105) 8.056 21.088 ( 2.266 -0.208 -2.119) 3.110 21.427 ( -8.360 -6.398 10.895) 15.150 21.576 ( 7.130 2.774 0.240) 7.654 21.763 ( 2.723 -0.029 0.087) 2.725 21.861 ( -0.775 -4.303 -4.535) 6.300 22.763 ( -1.283 4.877 2.576) 5.663 22.846 ( -0.507 7.173 -4.407) 8.434 23.314 ( 4.877 -0.467 6.478) 8.122 23.381 ( 0.763 -2.544 0.270) 2.670 23.538 ( -1.847 12.093 7.704) 14.457 23.825 ( -2.756 11.305 -16.677) 20.335 ======================= Grid point 156 (74/96) ======================= q-point: ( 0.17 0.20 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 9.435 -0.835 1.512) 9.592 1.571 ( 10.068 -0.713 -5.528) 11.508 2.024 ( 0.134 7.520 8.162) 11.099 2.344 ( -14.072 -2.062 -12.309) 18.809 2.385 ( 7.835 0.677 -5.530) 9.613 2.632 ( -5.772 -2.717 -3.495) 7.274 2.838 ( -11.994 -1.706 7.837) 14.429 3.058 ( -0.145 -1.740 -2.954) 3.431 3.196 ( 2.574 -9.402 2.638) 10.099 3.450 ( 12.082 -0.918 8.763) 14.953 3.543 ( -8.248 -12.163 -3.118) 15.023 3.675 ( -4.474 -4.753 0.692) 6.564 3.741 ( -0.416 -12.226 0.479) 12.243 3.827 ( -5.434 -8.869 -8.123) 13.197 3.953 ( -2.765 -6.691 2.766) 7.750 4.127 ( -0.086 -6.742 7.820) 10.325 4.142 ( 8.872 -5.542 -3.552) 11.047 4.368 ( 9.123 -5.836 10.957) 15.406 4.489 ( -0.145 -3.841 -6.939) 7.932 4.554 ( 5.884 2.735 5.585) 8.561 4.671 ( 1.624 -3.945 4.823) 6.439 4.813 ( 4.276 -0.734 -9.673) 10.602 4.841 ( -1.104 -1.099 -2.876) 3.271 4.938 ( 6.232 -2.051 7.713) 10.126 5.112 ( 1.897 -2.055 -3.284) 4.313 5.125 ( 2.368 -3.400 -2.153) 4.669 5.242 ( -7.554 3.832 -9.152) 12.470 5.355 ( -3.199 -9.036 -0.683) 9.610 5.403 ( 1.040 -1.207 4.294) 4.580 5.533 ( -3.224 -2.450 -0.914) 4.151 5.624 ( 4.019 -4.090 2.459) 6.239 5.652 ( 1.789 2.910 0.512) 3.454 5.847 ( -1.843 4.040 -1.990) 4.866 5.912 ( -10.958 0.789 -8.076) 13.636 5.958 ( 0.838 1.016 -3.397) 3.644 6.064 ( -7.148 2.507 10.291) 12.778 6.260 ( -9.568 0.237 -10.562) 14.254 6.436 ( -11.393 3.440 -3.395) 12.376 6.490 ( 2.276 2.041 3.712) 4.809 6.605 ( 4.024 4.767 8.966) 10.923 6.674 ( -4.116 8.701 8.243) 12.673 6.931 ( -4.673 2.407 0.289) 5.265 6.963 ( 4.926 -1.647 -3.933) 6.515 7.139 ( 3.371 0.953 -2.237) 4.156 7.360 ( 2.286 -8.992 2.241) 9.545 7.479 ( 5.770 -3.652 -0.474) 6.845 7.651 ( -2.838 -3.052 -3.024) 5.149 7.769 ( -1.816 -1.193 6.470) 6.825 7.771 ( -3.921 -2.817 -3.722) 6.096 7.903 ( 1.385 -3.490 -1.506) 4.045 8.126 ( 10.291 -6.909 -0.274) 12.398 8.201 ( 6.619 -13.260 -2.511) 15.032 8.274 ( -0.603 -6.460 -7.681) 10.054 8.377 ( 8.694 -5.883 6.509) 12.352 8.799 ( 3.548 -3.670 0.993) 5.201 8.809 ( 3.989 0.621 -1.599) 4.342 8.975 ( -2.845 5.909 2.286) 6.945 9.128 ( 3.672 2.526 -2.130) 4.939 9.513 ( -5.446 0.659 6.970) 8.870 9.704 ( -0.176 0.426 -2.779) 2.817 9.809 ( -10.068 -3.680 7.452) 13.055 10.049 ( -2.005 -2.155 -6.477) 7.115 10.778 ( -5.419 1.865 0.519) 5.754 10.939 ( -3.838 3.073 -0.708) 4.967 11.032 ( -2.577 -0.834 -0.488) 2.752 11.082 ( 3.011 0.702 5.150) 6.006 11.211 ( 3.618 -1.216 -0.529) 3.853 11.289 ( 3.122 3.074 -1.609) 4.667 11.570 ( 1.127 -3.399 -2.736) 4.507 11.625 ( 1.993 2.913 1.582) 3.868 11.870 ( -7.491 1.556 -0.819) 7.694 12.001 ( -1.317 3.668 -4.497) 5.951 12.103 ( 0.319 6.834 0.244) 6.846 12.275 ( 4.055 3.343 0.749) 5.308 14.646 ( -3.638 -2.208 -1.304) 4.451 14.895 ( 7.192 -0.723 2.874) 7.779 19.450 ( -9.643 -5.480 -0.954) 11.132 19.933 ( 10.486 -12.732 -6.802) 17.841 20.953 ( -3.815 0.461 6.590) 7.628 21.134 ( 4.273 -0.365 -1.938) 4.706 21.333 ( -11.217 -1.303 10.653) 15.525 21.553 ( -9.796 -2.351 -4.777) 11.150 21.740 ( 11.213 -2.069 -5.239) 12.548 22.038 ( 8.696 0.256 -1.861) 8.897 22.771 ( -0.903 5.345 3.540) 6.474 22.830 ( 1.700 5.692 -0.182) 5.943 23.298 ( -3.160 2.061 -5.323) 6.525 23.376 ( -1.857 -1.248 -1.862) 2.910 23.669 ( 1.419 9.032 7.927) 12.101 23.677 ( 1.202 10.169 -2.654) 10.578 ======================= Grid point 157 (75/96) ======================= q-point: ( 0.33 0.20 -0.60) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 21.694 6.122 -15.252) 27.217 1.892 ( 10.151 -1.287 7.709) 12.811 2.017 ( -10.630 -1.148 -5.690) 12.111 2.116 ( 6.528 4.037 -12.088) 14.319 2.388 ( 3.202 7.476 12.104) 14.582 2.575 ( -4.629 -4.618 1.582) 6.727 2.757 ( -4.748 5.991 8.016) 11.077 3.026 ( -6.908 -11.058 -0.397) 13.045 3.170 ( -3.025 -15.666 -3.821) 16.406 3.349 ( -12.288 -8.296 -3.285) 15.186 3.510 ( 0.609 -10.790 -6.920) 12.833 3.522 ( 1.754 -11.314 -1.616) 11.563 3.692 ( -5.134 -5.041 -1.267) 7.306 3.789 ( -5.430 -9.102 -3.285) 11.096 4.016 ( 4.646 -6.893 2.127) 8.580 4.199 ( 2.013 -7.665 3.354) 8.605 4.255 ( 0.677 -12.714 2.296) 12.937 4.408 ( 5.676 -3.584 -6.103) 9.073 4.578 ( -4.939 -2.435 -0.236) 5.512 4.651 ( 5.507 -11.192 2.891) 12.805 4.692 ( -1.034 -1.400 -12.749) 12.868 4.796 ( 1.849 3.772 5.246) 6.720 4.934 ( -2.199 3.419 6.748) 7.878 5.014 ( -0.717 1.148 2.493) 2.837 5.088 ( -2.833 -1.133 -4.376) 5.334 5.142 ( 8.665 -2.234 -0.833) 8.987 5.184 ( 3.704 -3.526 -4.342) 6.709 5.299 ( -1.394 -3.062 0.764) 3.450 5.431 ( -7.511 0.900 -1.359) 7.685 5.493 ( 0.692 -1.382 11.101) 11.208 5.522 ( -6.567 -5.500 -2.008) 8.799 5.616 ( -5.076 -1.137 -1.229) 5.345 5.774 ( 6.412 5.482 -0.620) 8.459 5.853 ( 1.513 4.153 -0.860) 4.503 5.962 ( -0.521 2.141 4.282) 4.816 6.016 ( -0.238 1.692 0.934) 1.947 6.169 ( -1.814 2.353 6.135) 6.817 6.307 ( -0.028 2.431 2.182) 3.267 6.388 ( -6.975 4.314 -3.261) 8.826 6.661 ( -2.205 10.437 0.092) 10.668 6.760 ( 1.935 5.485 4.426) 7.309 6.959 ( 2.011 4.044 -3.563) 5.753 6.999 ( 1.265 -0.699 6.017) 6.188 7.139 ( 1.134 3.586 -1.728) 4.139 7.350 ( -3.482 -3.331 -4.636) 6.687 7.569 ( 2.443 -2.734 -3.251) 4.900 7.602 ( -2.025 -3.295 0.453) 3.894 7.741 ( 4.890 -4.069 0.559) 6.386 7.834 ( 4.187 -0.305 3.942) 5.759 7.838 ( -4.172 -5.524 -6.749) 9.668 8.189 ( -0.057 -12.548 -0.801) 12.574 8.258 ( 8.024 -10.241 -7.704) 15.120 8.392 ( 5.902 -7.760 8.637) 13.025 8.604 ( 7.338 -4.661 5.288) 10.176 8.831 ( -1.048 -4.682 3.575) 5.983 8.929 ( 6.116 -3.806 -2.485) 7.620 8.959 ( 0.183 4.625 0.923) 4.720 9.158 ( 1.423 2.203 -1.741) 3.147 9.515 ( -1.347 2.144 6.986) 7.431 9.590 ( -10.750 1.574 5.446) 12.154 9.729 ( -1.087 -0.619 -3.124) 3.365 9.894 ( -5.091 -2.440 -8.513) 10.214 10.702 ( -2.080 0.165 -0.958) 2.296 10.811 ( -5.689 0.093 -2.941) 6.404 11.024 ( -0.763 -0.314 5.262) 5.326 11.208 ( 4.527 0.026 0.632) 4.571 11.253 ( 0.069 -1.729 2.750) 3.249 11.314 ( 1.875 3.906 -1.198) 4.495 11.586 ( 1.651 -3.795 -1.155) 4.297 11.645 ( 0.153 2.796 -0.318) 2.818 11.739 ( -2.997 1.390 -3.729) 4.982 11.899 ( -3.135 3.195 -7.314) 8.575 12.155 ( 2.379 6.261 2.919) 7.306 12.309 ( -0.171 5.093 -0.150) 5.098 14.644 ( 2.280 -2.530 3.165) 4.649 14.990 ( 0.370 -0.597 -0.369) 0.793 19.376 ( 1.156 -4.064 4.083) 5.876 19.956 ( 1.392 -12.532 -10.769) 16.583 20.968 ( -2.326 0.257 8.564) 8.878 21.192 ( 3.401 1.163 -2.932) 4.638 21.225 ( -9.781 0.712 9.843) 13.894 21.385 ( -2.601 -2.608 -5.931) 6.982 21.877 ( 10.428 -1.872 -8.511) 13.590 22.040 ( -4.388 3.416 -4.447) 7.121 22.830 ( 1.468 5.765 6.094) 8.516 22.882 ( 2.184 6.371 2.244) 7.099 23.214 ( 1.934 3.067 -7.688) 8.500 23.283 ( -4.675 -0.888 -2.988) 5.619 23.690 ( 5.614 9.916 -3.282) 11.858 23.760 ( -5.087 3.833 10.833) 12.566 ======================= Grid point 158 (76/96) ======================= q-point: (-0.50 0.20 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -18.133 4.413 5.260) 19.389 1.909 ( 14.676 1.578 -11.229) 18.546 2.139 ( -1.080 5.640 -0.214) 5.747 2.176 ( 8.227 5.530 -4.681) 10.962 2.529 ( 9.144 -4.300 3.323) 10.637 2.603 ( -2.026 -5.245 -0.431) 5.639 2.800 ( 3.121 1.962 9.493) 10.184 2.837 ( -2.639 -4.724 -0.782) 5.467 3.098 ( -6.330 -10.808 -5.647) 13.739 3.131 ( 2.673 -5.256 -2.039) 6.239 3.379 ( -10.306 -5.432 -4.426) 12.462 3.479 ( 2.015 -3.721 -10.798) 11.597 3.633 ( 1.965 -18.478 5.129) 19.277 3.689 ( -6.626 -10.794 1.798) 12.792 4.109 ( -0.403 -6.265 7.288) 9.619 4.208 ( -3.303 -8.909 -0.790) 9.534 4.346 ( 6.596 -6.027 8.528) 12.352 4.420 ( -7.577 -5.969 1.350) 9.740 4.483 ( 0.715 -6.811 -3.883) 7.873 4.567 ( 0.661 -0.187 -9.338) 9.363 4.697 ( -1.999 -13.639 0.881) 13.813 4.802 ( -4.140 -7.847 -6.237) 10.845 4.844 ( -0.532 0.158 -1.722) 1.809 4.918 ( -1.344 1.474 -1.193) 2.325 5.048 ( -2.182 -4.419 4.385) 6.597 5.173 ( 3.382 -2.401 -6.369) 7.601 5.311 ( -1.763 0.178 7.584) 7.788 5.334 ( -1.166 -2.912 0.132) 3.140 5.342 ( 2.583 -1.854 -0.771) 3.272 5.462 ( 3.367 -2.604 -2.984) 5.198 5.588 ( -1.042 0.489 5.859) 5.971 5.694 ( 2.387 0.256 12.649) 12.875 5.740 ( -4.535 6.410 -3.072) 8.431 5.904 ( 1.040 2.237 -1.295) 2.786 6.110 ( 2.496 5.567 5.513) 8.223 6.133 ( 3.901 6.446 9.525) 12.145 6.220 ( -1.510 1.994 -5.184) 5.756 6.274 ( 11.210 3.536 2.973) 12.125 6.362 ( 5.619 4.986 -1.409) 7.643 6.565 ( -4.653 12.332 -13.097) 18.581 6.768 ( -2.104 3.665 -0.426) 4.247 6.874 ( -0.749 1.122 -9.767) 9.860 7.076 ( -0.947 3.478 8.188) 8.947 7.227 ( -0.454 6.321 -2.849) 6.948 7.276 ( 6.664 -1.299 10.151) 12.212 7.478 ( -5.067 1.373 -5.391) 7.524 7.619 ( 1.146 -3.202 -2.753) 4.376 7.677 ( 0.383 -2.418 -7.999) 8.365 7.883 ( 1.198 -2.951 4.288) 5.341 7.966 ( 6.369 -7.128 -0.454) 9.570 8.134 ( -6.354 -13.402 3.340) 15.203 8.280 ( 1.201 -14.962 -9.299) 17.658 8.525 ( -2.723 -7.843 10.157) 13.119 8.720 ( 3.700 -4.814 -3.163) 6.846 8.819 ( -4.108 -1.695 7.198) 8.459 8.954 ( -1.470 -5.467 0.543) 5.687 9.037 ( 6.031 3.271 -2.459) 7.289 9.167 ( 3.473 1.017 -4.808) 6.017 9.482 ( -6.277 1.861 10.609) 12.466 9.551 ( -4.749 0.984 7.328) 8.787 9.713 ( 2.203 1.419 -4.825) 5.491 9.753 ( 1.811 -1.100 -8.673) 8.928 10.681 ( -1.624 -1.078 0.514) 2.015 10.716 ( 0.998 -0.799 -3.001) 3.262 11.091 ( 1.038 -0.588 6.642) 6.748 11.199 ( -0.913 0.063 -2.270) 2.448 11.309 ( -3.066 2.177 1.665) 4.112 11.341 ( 4.296 0.540 0.189) 4.334 11.583 ( -3.407 1.596 5.042) 6.291 11.678 ( 3.826 -3.335 -2.930) 5.861 11.691 ( 2.701 2.460 -2.991) 4.722 11.735 ( -6.427 0.743 -7.656) 10.023 12.230 ( 2.087 6.609 3.158) 7.617 12.280 ( -1.931 5.953 -1.223) 6.376 14.776 ( 6.112 -0.853 6.188) 8.739 14.905 ( -5.337 -0.426 -5.139) 7.421 19.538 ( 6.610 -7.522 9.737) 13.967 19.795 ( -5.369 -11.520 -13.573) 18.595 21.034 ( -1.402 -0.328 11.917) 12.004 21.133 ( -6.928 2.598 7.407) 10.469 21.253 ( 4.223 3.074 -2.641) 5.853 21.299 ( 0.616 -2.290 -8.951) 9.259 21.871 ( -8.855 0.756 -0.572) 8.905 21.972 ( 8.483 0.068 -8.101) 11.730 22.904 ( 0.233 10.759 5.592) 12.127 22.936 ( 1.092 9.504 1.475) 9.679 23.152 ( -7.042 -4.114 -1.399) 8.275 23.215 ( 4.281 -1.140 -5.629) 7.164 23.709 ( -7.920 5.402 6.088) 11.357 23.814 ( 10.423 8.230 -3.146) 13.648 ======================= Grid point 159 (77/96) ======================= q-point: (-0.33 0.20 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -19.030 11.899 7.043) 23.523 1.770 ( -22.790 16.560 2.027) 28.245 1.956 ( -3.149 -1.330 -1.827) 3.877 2.220 ( 7.590 -4.999 -11.696) 14.812 2.582 ( 3.505 -3.986 2.281) 5.777 2.709 ( -3.327 -4.746 -13.172) 14.391 2.857 ( 1.933 -5.129 2.684) 6.103 2.970 ( 7.906 -3.485 5.670) 10.334 3.121 ( 12.589 0.180 0.996) 12.630 3.240 ( 4.673 -9.736 -2.363) 11.054 3.333 ( -0.423 -1.038 9.282) 9.349 3.497 ( 2.089 -5.129 5.044) 7.491 3.610 ( 4.810 -8.304 0.140) 9.598 3.708 ( 0.536 -17.654 4.855) 18.317 4.045 ( -2.865 -6.461 2.112) 7.376 4.202 ( -2.701 -6.871 -4.219) 8.504 4.330 ( -0.887 -6.466 -0.662) 6.560 4.380 ( -2.890 -11.832 -0.311) 12.184 4.485 ( -1.650 -9.124 2.859) 9.703 4.587 ( -1.302 -1.983 -0.615) 2.450 4.698 ( 4.162 -9.918 5.790) 12.215 4.789 ( 0.096 -4.372 6.830) 8.110 4.844 ( -0.420 0.330 -1.648) 1.732 4.937 ( 4.306 -1.554 5.513) 7.166 5.070 ( 0.528 -6.278 4.350) 7.656 5.135 ( -5.425 3.323 -2.648) 6.891 5.199 ( -3.546 -4.812 -5.397) 8.053 5.295 ( -3.869 -1.181 -0.217) 4.051 5.433 ( 1.748 -0.121 -3.001) 3.475 5.523 ( 10.573 -0.967 1.415) 10.711 5.639 ( 0.635 -1.214 0.015) 1.370 5.697 ( -0.581 3.294 0.337) 3.362 5.776 ( -3.450 0.230 3.359) 4.820 5.875 ( -1.071 7.935 -7.550) 11.005 6.074 ( -5.275 3.900 0.818) 6.611 6.125 ( -6.419 6.035 -11.116) 14.184 6.239 ( 5.665 3.181 -2.167) 6.849 6.308 ( 8.192 2.637 0.110) 8.606 6.439 ( 7.433 2.130 -9.833) 12.508 6.621 ( -0.032 4.853 -0.211) 4.858 6.762 ( -3.674 0.648 0.051) 3.731 6.843 ( 11.035 7.788 8.082) 15.740 7.171 ( 1.143 4.583 6.499) 8.034 7.202 ( 1.256 4.608 -6.558) 8.113 7.292 ( -4.571 -0.239 -7.952) 9.175 7.534 ( 7.673 -2.808 7.678) 11.212 7.585 ( 2.393 -3.543 -1.978) 4.711 7.726 ( 2.438 -0.956 -0.673) 2.704 7.830 ( -0.714 -9.884 -6.587) 11.899 7.917 ( -7.904 -2.378 -4.575) 9.437 8.074 ( -9.379 -3.637 4.688) 11.099 8.210 ( 1.189 -17.176 0.041) 17.217 8.481 ( -9.521 -4.208 3.455) 10.968 8.666 ( -3.967 -5.182 -5.819) 8.744 8.835 ( -2.048 -0.322 7.074) 7.371 8.925 ( 0.386 -6.824 -2.878) 7.416 9.096 ( 2.773 2.279 -2.413) 4.325 9.166 ( 3.082 0.078 -9.412) 9.904 9.498 ( -3.506 0.711 8.465) 9.190 9.563 ( -2.484 -2.372 8.508) 9.175 9.693 ( 2.642 1.862 0.594) 3.286 9.825 ( 8.375 -0.163 -4.117) 9.334 10.665 ( 0.771 -0.567 1.332) 1.640 10.788 ( 6.477 0.652 -0.084) 6.511 11.108 ( -3.311 0.511 -0.785) 3.440 11.213 ( 2.356 2.493 2.172) 4.060 11.247 ( -3.782 -0.661 0.616) 3.889 11.351 ( -2.293 -0.580 -4.772) 5.326 11.528 ( -7.094 -3.264 0.514) 7.826 11.625 ( 1.624 3.565 5.198) 6.509 11.695 ( 1.558 0.749 -1.734) 2.449 11.788 ( 5.445 1.908 1.964) 6.095 12.217 ( -2.661 5.867 -2.244) 6.822 12.284 ( 0.522 6.857 2.003) 7.162 14.747 ( -4.307 -1.163 -5.803) 7.320 14.947 ( 5.031 0.429 3.907) 6.384 19.534 ( -6.825 -8.533 -10.529) 15.174 19.737 ( 2.857 -10.927 8.939) 14.404 21.077 ( -6.077 1.936 7.748) 10.035 21.131 ( -2.161 -0.827 5.733) 6.183 21.213 ( 2.345 1.948 -2.293) 3.815 21.359 ( 7.915 -0.001 -2.960) 8.450 21.733 ( -7.427 -2.169 3.305) 8.414 22.042 ( 4.799 2.901 -4.221) 7.018 22.933 ( -1.723 7.733 -2.158) 8.212 22.938 ( -1.180 9.343 -2.427) 9.725 23.026 ( -4.922 -0.670 7.890) 9.324 23.254 ( 3.304 -2.627 -0.817) 4.299 23.621 ( -5.652 7.408 3.305) 9.886 23.975 ( 10.629 5.997 -7.950) 14.565 ======================= Grid point 160 (78/96) ======================= q-point: (-0.17 0.20 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -18.036 15.663 10.340) 26.030 1.706 ( -1.024 13.099 22.815) 26.328 1.930 ( 1.269 3.798 -1.804) 4.392 2.222 ( 3.620 -15.481 -8.747) 18.146 2.480 ( -8.392 1.520 -2.185) 8.804 2.623 ( 1.610 11.722 -1.170) 11.890 2.939 ( -0.133 -5.520 5.795) 8.005 3.090 ( 4.850 -4.300 -10.934) 12.711 3.156 ( 2.230 -10.453 4.239) 11.498 3.418 ( 1.994 -5.073 2.853) 6.153 3.533 ( 5.907 -14.891 1.591) 16.098 3.587 ( 13.418 -13.647 9.455) 21.347 3.667 ( -0.634 -6.077 4.118) 7.368 3.769 ( -2.547 -2.408 0.471) 3.537 4.078 ( 2.122 -9.481 -7.113) 12.041 4.091 ( -8.979 -7.881 -2.493) 12.204 4.226 ( -3.229 -4.568 1.773) 5.868 4.389 ( 2.640 -7.426 -5.327) 9.513 4.470 ( -6.930 -2.383 3.006) 7.921 4.568 ( -0.045 -2.913 7.146) 7.717 4.665 ( -5.752 -8.747 -4.215) 11.285 4.843 ( -0.758 3.875 -4.343) 5.869 4.864 ( -3.652 -7.303 7.489) 11.079 4.997 ( 2.967 5.057 7.043) 9.165 5.093 ( -0.380 -1.929 -10.931) 11.107 5.101 ( 1.173 -1.170 -1.055) 1.964 5.144 ( 1.581 -5.961 1.561) 6.361 5.278 ( 1.846 -3.177 5.451) 6.574 5.497 ( 1.764 4.416 2.392) 5.322 5.553 ( -2.897 -1.586 -3.475) 4.795 5.604 ( 1.051 -4.943 -6.498) 8.232 5.726 ( 0.857 -1.929 -1.504) 2.592 5.744 ( 3.849 2.911 2.268) 5.332 5.895 ( 8.985 3.511 -3.703) 10.333 5.951 ( -1.681 1.653 -1.145) 2.621 6.045 ( -2.962 2.839 0.477) 4.130 6.343 ( 6.918 2.038 -7.082) 10.108 6.361 ( 3.005 3.769 1.859) 5.167 6.510 ( 4.308 3.985 1.112) 5.973 6.671 ( 4.465 3.058 -0.831) 5.475 6.774 ( 0.122 -1.372 4.001) 4.232 7.021 ( -2.871 7.413 -10.687) 13.320 7.055 ( -1.985 3.458 1.032) 4.118 7.108 ( -0.214 0.144 -6.918) 6.923 7.338 ( 2.773 -8.983 4.379) 10.371 7.499 ( -9.065 -5.211 -4.432) 11.357 7.659 ( 4.168 -0.496 -1.325) 4.402 7.715 ( 3.157 -0.699 0.184) 3.239 7.845 ( -2.505 -3.902 2.421) 5.231 7.911 ( 8.429 -6.584 -0.975) 10.740 7.958 ( -4.008 -2.414 6.676) 8.152 8.145 ( -7.859 -10.704 -2.165) 13.455 8.279 ( -9.774 -4.345 -1.476) 10.797 8.529 ( -2.742 -2.917 -8.550) 9.441 8.846 ( -2.758 -2.330 1.575) 3.939 8.889 ( -0.157 -4.465 -5.773) 7.300 9.064 ( 1.683 0.968 -9.726) 9.918 9.124 ( -1.858 4.316 -2.768) 5.454 9.529 ( -2.005 -0.989 8.408) 8.701 9.607 ( 1.451 -1.639 3.854) 4.433 9.801 ( 1.628 -1.669 10.087) 10.353 9.956 ( 7.619 -1.700 -1.114) 7.886 10.745 ( 5.224 1.797 2.566) 6.091 10.930 ( 6.382 4.097 0.974) 7.646 11.025 ( -3.668 0.819 0.393) 3.779 11.163 ( -9.102 -0.054 2.644) 9.479 11.195 ( 0.120 -1.824 -4.410) 4.774 11.282 ( -0.945 2.141 -0.997) 2.544 11.471 ( -0.868 -3.476 3.444) 4.969 11.682 ( -1.264 1.985 -1.841) 2.987 11.800 ( 9.576 1.558 6.090) 11.455 11.903 ( 3.732 3.981 3.374) 6.416 12.143 ( -2.396 5.786 -2.615) 6.787 12.278 ( -2.680 6.223 0.314) 6.783 14.668 ( 1.144 -1.848 -3.238) 3.900 14.972 ( -3.411 0.318 -3.543) 4.928 19.449 ( 6.167 -6.677 -1.069) 9.152 19.796 ( -4.637 -11.861 5.772) 13.982 21.024 ( -5.596 1.717 5.380) 7.950 21.095 ( -0.539 -0.065 -2.282) 2.346 21.344 ( 2.938 -3.086 11.005) 11.801 21.494 ( 6.345 1.745 0.940) 6.648 21.651 ( -0.802 -4.079 -1.469) 4.409 22.027 ( -5.060 2.909 -0.898) 5.905 22.805 ( -4.317 -0.537 -1.887) 4.742 22.902 ( -0.696 10.268 -3.945) 11.022 23.125 ( 4.096 4.265 9.490) 11.181 23.323 ( 2.781 -1.583 2.482) 4.050 23.561 ( -3.979 8.873 2.613) 10.070 23.999 ( 2.973 6.391 -15.065) 16.632 ======================= Grid point 161 (79/96) ======================= q-point: ( 0.00 0.30 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 1.195 15.813 7.933) 17.732 1.700 ( -0.592 -6.318 -15.178) 16.451 2.013 ( 6.694 -3.561 9.632) 12.258 2.226 ( -3.362 -8.716 -8.975) 12.955 2.401 ( 5.889 4.749 11.665) 13.904 2.627 ( -5.419 3.951 -9.638) 11.742 2.957 ( -6.833 -6.242 7.546) 11.942 3.019 ( 2.044 -5.927 1.698) 6.496 3.151 ( 5.406 -7.428 8.413) 12.457 3.232 ( -0.993 -4.789 -0.355) 4.904 3.437 ( 2.345 2.305 2.291) 4.007 3.547 ( -6.024 -4.040 -8.605) 11.254 3.663 ( 5.256 -11.917 7.655) 15.108 3.762 ( -8.898 -6.340 1.261) 10.998 3.828 ( 4.667 -4.193 -1.091) 6.368 3.936 ( 8.220 4.069 -5.393) 10.640 4.101 ( -5.364 -0.327 -2.546) 5.947 4.180 ( -4.342 -3.371 -2.755) 6.149 4.392 ( 6.075 -2.507 10.788) 12.632 4.610 ( -2.579 1.518 8.327) 8.849 4.634 ( -2.305 7.235 3.377) 8.310 4.661 ( -3.070 -4.396 7.543) 9.255 4.803 ( 1.834 -3.569 -5.731) 6.996 4.918 ( -0.522 -5.666 -9.837) 11.364 5.002 ( 1.301 -5.453 0.374) 5.619 5.108 ( 2.707 -2.359 -9.398) 10.061 5.198 ( -6.491 -7.827 1.926) 10.349 5.315 ( 6.523 -0.207 -8.624) 10.815 5.450 ( 0.674 1.209 -0.648) 1.528 5.482 ( 2.618 0.430 -0.131) 2.656 5.580 ( 4.055 -0.361 0.838) 4.156 5.625 ( -3.237 0.931 -1.712) 3.779 5.886 ( 0.572 -0.127 6.134) 6.162 6.006 ( 1.986 2.123 -4.248) 5.148 6.066 ( -2.539 -2.932 15.068) 15.559 6.115 ( 9.288 0.164 -0.543) 9.305 6.197 ( -9.081 -9.349 -1.833) 13.162 6.499 ( -1.381 -3.407 -10.898) 11.501 6.569 ( -2.550 -6.092 -1.934) 6.881 6.631 ( -1.225 3.726 -4.632) 6.070 6.718 ( -4.253 0.148 10.646) 11.465 6.940 ( -1.284 0.055 -3.913) 4.119 6.980 ( 4.859 -5.166 2.821) 7.632 7.061 ( -0.812 -4.708 -0.131) 4.780 7.277 ( 4.753 -5.102 1.277) 7.089 7.312 ( -4.451 -1.587 -3.240) 5.729 7.619 ( 2.838 -6.022 -0.280) 6.663 7.647 ( -4.868 -4.827 -3.524) 7.708 7.799 ( -1.464 -4.763 1.204) 5.127 7.830 ( 2.033 -1.616 -1.483) 2.991 7.914 ( 0.400 -0.667 2.160) 2.296 8.000 ( 5.042 -0.059 -4.760) 6.934 8.114 ( -0.228 -2.920 3.351) 4.451 8.287 ( -1.732 -5.831 -11.121) 12.676 8.758 ( -0.915 -0.818 -3.601) 3.804 8.790 ( 1.847 -1.138 -5.747) 6.143 9.115 ( -1.893 4.358 1.602) 5.014 9.155 ( 1.155 3.331 -1.484) 3.825 9.554 ( -4.596 1.584 9.212) 10.416 9.683 ( 3.552 -0.309 0.610) 3.617 9.825 ( -4.529 -1.191 7.814) 9.110 10.007 ( 5.111 -3.577 -5.192) 8.117 10.922 ( 0.951 -0.018 3.527) 3.653 10.970 ( -3.131 4.278 0.167) 5.304 11.041 ( -4.863 1.349 1.757) 5.344 11.102 ( 5.326 0.656 -3.349) 6.325 11.246 ( -1.990 3.515 0.557) 4.077 11.249 ( 1.918 1.517 0.189) 2.453 11.526 ( 6.727 -0.830 4.350) 8.054 11.612 ( -5.376 -1.237 -2.615) 6.105 12.009 ( -1.068 2.853 4.012) 5.037 12.057 ( 4.052 2.311 0.906) 4.752 12.244 ( 1.553 6.587 1.146) 6.864 12.304 ( -3.487 5.767 -3.404) 7.550 14.702 ( 5.998 -1.493 1.304) 6.318 14.784 ( -7.458 -1.082 -6.209) 9.765 19.474 ( 0.782 -8.561 3.313) 9.213 19.526 ( 3.087 -8.710 -1.033) 9.298 21.013 ( -4.365 2.620 3.321) 6.078 21.079 ( 1.671 -0.626 -1.145) 2.121 21.321 ( -5.296 -4.138 11.977) 13.734 21.573 ( 3.428 -3.986 -7.285) 8.984 21.763 ( 14.235 -0.157 0.654) 14.251 21.813 ( -11.986 -0.171 -2.514) 12.248 22.822 ( 2.047 0.976 5.918) 6.337 22.956 ( -3.353 3.729 -6.055) 7.862 23.341 ( 2.136 3.633 3.623) 5.557 23.373 ( 1.294 1.974 0.745) 2.475 23.770 ( -1.547 11.323 8.161) 14.043 24.018 ( -0.405 8.524 -13.600) 16.056 ======================= Grid point 162 (80/96) ======================= q-point: ( 0.17 0.30 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 6.183 1.247 4.558) 7.782 1.634 ( 9.033 1.887 -6.813) 11.471 2.034 ( -1.213 -3.783 -8.707) 9.570 2.238 ( 3.478 -5.508 0.370) 6.525 2.478 ( 0.017 4.364 -7.700) 8.851 2.597 ( 3.786 5.390 8.879) 11.055 2.852 ( -10.535 2.052 8.369) 13.611 2.925 ( -9.749 -11.419 -0.332) 15.018 3.100 ( -6.221 -8.506 -2.792) 10.902 3.231 ( -3.663 -6.987 0.011) 7.889 3.409 ( -2.927 -8.668 -1.668) 9.300 3.543 ( -2.733 -3.504 -4.198) 6.113 3.627 ( -5.970 -1.156 -2.254) 6.486 3.736 ( 5.551 -1.663 2.289) 6.230 3.819 ( 0.606 -8.144 2.027) 8.414 4.006 ( 5.423 -5.370 0.048) 7.632 4.141 ( -3.261 4.927 2.325) 6.349 4.220 ( 7.993 -6.023 3.101) 10.478 4.403 ( -5.085 -4.504 -6.450) 9.367 4.612 ( 0.959 -1.011 9.733) 9.832 4.693 ( 1.356 3.897 -0.590) 4.168 4.814 ( 5.066 -1.102 -9.360) 10.700 4.827 ( 2.823 -5.516 1.784) 6.448 4.884 ( 6.355 2.598 12.460) 14.227 5.038 ( 1.551 -6.507 1.369) 6.828 5.070 ( 4.641 -2.013 -11.406) 12.478 5.127 ( -1.884 -9.391 3.335) 10.142 5.344 ( -1.216 0.425 -6.206) 6.339 5.372 ( -4.900 1.743 -0.351) 5.213 5.477 ( -3.105 -2.439 -2.379) 4.610 5.567 ( 6.131 -0.958 0.657) 6.240 5.718 ( 2.413 3.654 2.150) 4.878 5.864 ( -9.579 -5.358 -8.922) 14.144 5.913 ( -4.141 2.063 -1.073) 4.749 5.971 ( -2.028 0.487 -0.931) 2.284 6.089 ( -5.875 0.383 9.210) 10.931 6.264 ( -5.384 0.000 -4.281) 6.878 6.408 ( -5.262 -3.946 5.865) 8.812 6.483 ( 3.963 -3.252 -0.035) 5.127 6.659 ( 1.492 -0.019 10.046) 10.156 6.809 ( 4.699 2.123 5.018) 7.195 6.881 ( -5.087 -1.848 -2.050) 5.788 6.955 ( 1.647 -2.701 -6.631) 7.347 7.132 ( 3.627 -2.587 0.090) 4.456 7.233 ( 2.128 -2.765 0.247) 3.498 7.421 ( 5.133 -2.826 -1.831) 6.139 7.578 ( 0.432 -4.458 -0.773) 4.545 7.662 ( -2.062 -6.323 -0.868) 6.707 7.716 ( 0.105 -6.100 3.332) 6.951 7.889 ( -1.994 -0.539 -4.074) 4.567 7.949 ( 4.593 -3.094 -1.526) 5.745 8.051 ( 6.060 -4.102 -3.881) 8.283 8.201 ( 0.346 -2.230 -0.220) 2.267 8.271 ( 9.668 -4.812 4.708) 11.781 8.734 ( -0.369 -2.960 0.635) 3.050 8.814 ( 6.082 0.076 -4.595) 7.623 9.086 ( -2.607 5.168 1.479) 5.975 9.173 ( 1.282 2.009 -0.264) 2.398 9.545 ( -4.060 2.365 6.947) 8.386 9.723 ( 2.340 -0.174 -3.001) 3.810 9.760 ( -9.671 -0.154 7.003) 11.941 9.984 ( -0.745 -4.190 -8.183) 9.223 10.817 ( -7.552 1.969 2.157) 8.097 10.952 ( -5.270 -1.043 -2.058) 5.753 11.036 ( -1.312 1.233 1.469) 2.324 11.107 ( 0.764 1.299 3.473) 3.786 11.225 ( 2.928 2.673 -1.790) 4.350 11.338 ( 2.544 1.742 -0.209) 3.090 11.504 ( 0.172 -2.537 -4.540) 5.204 11.677 ( 3.851 2.078 2.906) 5.253 11.926 ( -7.357 3.481 -0.380) 8.147 12.065 ( -1.650 2.558 -4.272) 5.245 12.241 ( 0.325 7.125 -0.163) 7.134 12.343 ( 3.494 3.740 3.189) 6.031 14.621 ( -4.108 -0.442 -1.540) 4.409 14.863 ( 6.559 -2.502 3.375) 7.789 19.351 ( -5.983 -4.693 -1.285) 7.712 19.695 ( 8.798 -11.444 -4.607) 15.153 20.976 ( -3.299 1.924 4.524) 5.920 21.124 ( 3.345 -0.661 0.094) 3.411 21.310 ( -7.378 -0.950 11.176) 13.426 21.466 ( -7.966 -6.007 -4.872) 11.103 21.724 ( 8.406 -0.206 -8.500) 11.956 22.037 ( 11.122 -0.274 1.046) 11.175 22.820 ( -3.285 0.598 -2.564) 4.210 22.934 ( 1.654 3.519 5.416) 6.667 23.348 ( -1.815 1.413 -2.637) 3.499 23.380 ( 0.476 4.682 -2.662) 5.407 23.844 ( -1.834 9.761 11.584) 15.258 23.899 ( 0.609 10.218 -8.834) 13.521 ======================= Grid point 163 (81/96) ======================= q-point: ( 0.33 0.30 -0.60) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 11.715 -6.868 -2.699) 13.845 1.816 ( 4.946 -4.378 3.923) 7.682 1.973 ( 5.715 2.430 -9.859) 11.652 2.245 ( 5.387 4.206 -5.222) 8.601 2.442 ( -4.587 -6.685 -2.760) 8.564 2.602 ( -2.999 8.865 -0.362) 9.366 2.848 ( 0.030 2.372 10.823) 11.080 2.873 ( -9.994 -13.000 -0.498) 16.405 2.919 ( 1.589 -1.449 4.224) 4.740 3.108 ( -9.314 -8.609 -0.399) 12.689 3.307 ( -2.375 0.253 -0.265) 2.403 3.460 ( -0.454 -4.676 -6.618) 8.116 3.548 ( 1.532 -6.791 -5.561) 8.910 3.751 ( -8.613 1.290 -1.553) 8.847 3.882 ( -0.596 -6.689 0.264) 6.720 4.009 ( -2.706 -6.165 6.699) 9.497 4.131 ( 2.602 -4.436 -2.282) 5.626 4.248 ( -2.090 -8.959 3.375) 9.799 4.438 ( 4.543 -8.999 0.796) 10.112 4.550 ( -2.841 -3.933 -6.375) 8.011 4.660 ( 0.975 -2.154 -12.453) 12.675 4.840 ( -1.060 -8.884 -1.691) 9.105 4.903 ( -2.815 -1.917 -0.316) 3.420 4.983 ( -0.449 -1.490 -0.812) 1.755 5.027 ( 1.825 -11.382 -5.734) 12.875 5.102 ( -3.982 0.516 -0.926) 4.121 5.156 ( 8.401 1.513 2.864) 9.004 5.265 ( -5.070 -1.476 -1.824) 5.586 5.371 ( -3.351 -3.164 4.589) 6.503 5.465 ( -0.620 -0.607 9.279) 9.319 5.499 ( -2.806 2.937 -2.384) 4.710 5.606 ( -5.369 -0.237 -0.116) 5.376 5.892 ( 9.183 4.690 -3.588) 10.918 5.938 ( 2.967 4.423 5.130) 7.395 5.998 ( 8.349 2.789 7.978) 11.880 6.070 ( -2.936 3.706 3.391) 5.818 6.204 ( -4.149 1.586 8.306) 9.420 6.339 ( -3.121 1.207 -0.141) 3.350 6.457 ( -1.939 2.299 -1.590) 3.402 6.750 ( -0.445 -0.315 -6.311) 6.335 6.845 ( 1.670 1.457 3.186) 3.881 6.949 ( 0.863 -1.997 5.286) 5.716 7.011 ( 7.942 -0.500 1.611) 8.119 7.170 ( 1.053 -0.512 0.623) 1.327 7.292 ( 1.962 -1.986 0.256) 2.804 7.471 ( 3.377 -5.174 -3.131) 6.927 7.549 ( -3.494 -6.705 -2.393) 7.931 7.613 ( 3.364 -4.600 -3.925) 6.920 7.763 ( -2.588 -3.625 -6.900) 8.213 7.841 ( 5.165 -4.630 3.143) 7.615 7.952 ( -0.581 -4.728 -2.037) 5.181 8.100 ( 0.336 -4.561 -1.836) 4.927 8.302 ( 1.744 -2.818 12.028) 12.477 8.513 ( 11.783 -4.358 0.435) 12.571 8.736 ( -1.810 -4.261 3.652) 5.896 8.880 ( 4.282 -1.693 -5.136) 6.898 9.058 ( -0.141 4.718 -0.338) 4.732 9.194 ( 0.633 1.194 0.267) 1.378 9.565 ( -0.835 2.842 6.456) 7.103 9.626 ( -10.731 1.793 6.894) 12.880 9.729 ( 2.543 0.504 -4.349) 5.064 9.845 ( -3.776 -2.632 -9.186) 10.275 10.713 ( -4.312 0.820 -0.052) 4.390 10.797 ( -6.788 -1.143 -2.978) 7.500 11.027 ( -1.237 0.383 4.431) 4.617 11.195 ( -1.252 -3.692 1.975) 4.370 11.223 ( 3.688 1.560 1.803) 4.392 11.398 ( 3.894 4.107 -1.447) 5.841 11.517 ( 3.796 -1.956 -3.183) 5.326 11.709 ( -1.924 3.026 0.775) 3.669 11.793 ( -4.221 3.361 -2.619) 5.998 11.938 ( -5.154 0.791 -7.824) 9.402 12.288 ( 2.558 7.047 2.692) 7.965 12.405 ( 0.346 4.598 2.007) 5.029 14.619 ( 2.609 -0.004 3.924) 4.712 14.957 ( 0.355 -2.701 0.586) 2.786 19.300 ( 1.190 -3.676 1.492) 4.142 19.722 ( 1.298 -11.127 -9.105) 14.436 20.981 ( -2.082 1.132 6.844) 7.243 21.180 ( 0.700 -2.395 0.493) 2.543 21.258 ( -5.275 2.603 4.862) 7.632 21.338 ( -1.959 -2.175 -0.276) 2.940 21.829 ( 11.254 -2.796 -10.189) 15.437 22.097 ( -4.092 2.134 -3.722) 5.929 22.826 ( 5.223 -2.873 1.648) 6.184 23.016 ( -0.423 3.780 8.144) 8.988 23.255 ( -3.850 1.541 -4.941) 6.451 23.340 ( 0.587 7.538 -6.490) 9.964 23.881 ( 1.796 9.247 0.114) 9.420 23.895 ( -2.286 8.656 5.984) 10.769 ======================= Grid point 164 (82/96) ======================= q-point: (-0.50 0.30 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -4.331 1.890 1.386) 4.925 1.894 ( 5.311 -7.857 -4.963) 10.703 2.105 ( 12.127 -6.464 -1.063) 13.783 2.172 ( -10.754 -6.666 -5.527) 13.807 2.463 ( 11.625 -5.363 4.007) 13.415 2.589 ( -9.172 1.861 -3.494) 9.990 2.728 ( 6.549 2.364 -0.954) 7.028 2.793 ( -7.481 -1.055 -3.843) 8.477 3.069 ( 2.825 2.299 9.867) 10.518 3.116 ( 5.311 0.337 5.097) 7.369 3.292 ( 0.097 -5.411 2.685) 6.042 3.389 ( -6.065 0.203 -10.459) 12.092 3.412 ( -4.139 -2.024 -2.999) 5.498 3.523 ( 2.966 -1.951 -9.372) 10.022 3.968 ( 4.275 -8.130 6.228) 11.098 4.034 ( -3.566 -8.251 1.925) 9.192 4.184 ( -1.672 -8.950 9.800) 13.377 4.267 ( -0.894 -6.855 5.819) 9.036 4.409 ( -3.024 -5.266 -6.977) 9.249 4.474 ( 0.813 -10.801 -4.040) 11.560 4.542 ( -3.575 -2.344 -7.286) 8.447 4.654 ( -8.018 -5.445 -9.121) 13.309 4.888 ( 1.712 -8.264 3.174) 9.017 4.918 ( -6.634 3.364 2.861) 7.969 4.958 ( -2.660 -5.831 -0.275) 6.414 5.063 ( 3.085 -4.299 -3.281) 6.226 5.232 ( -2.208 -5.222 2.295) 6.116 5.275 ( 5.732 -5.544 -1.811) 8.178 5.333 ( -5.136 0.695 4.021) 6.560 5.407 ( 3.364 -0.153 -1.596) 3.726 5.638 ( 3.789 1.896 6.618) 7.858 5.693 ( 1.752 0.894 11.265) 11.435 5.877 ( -7.077 6.203 -2.907) 9.850 5.961 ( 1.892 2.807 -1.837) 3.852 6.122 ( 6.458 -1.308 2.981) 7.233 6.205 ( -2.453 -0.566 -0.090) 2.519 6.269 ( -1.212 5.273 3.272) 6.323 6.350 ( 1.750 2.411 -1.172) 3.202 6.505 ( 16.382 7.941 6.736) 19.412 6.722 ( -1.542 3.163 -6.314) 7.228 6.844 ( -1.012 3.235 -5.516) 6.475 6.891 ( -4.373 2.844 -6.117) 8.039 7.085 ( -2.087 -1.691 6.365) 6.909 7.214 ( 0.587 -1.870 -0.976) 2.190 7.323 ( 0.260 -0.583 7.222) 7.250 7.456 ( 2.554 -4.607 -4.805) 7.130 7.557 ( 0.989 -3.382 -2.018) 4.060 7.625 ( 5.842 -2.427 -8.472) 10.573 7.765 ( 7.287 -7.736 1.073) 10.682 7.816 ( -8.240 -9.537 -3.109) 12.981 7.972 ( -1.090 -0.897 3.591) 3.859 8.056 ( 0.334 -6.343 -4.096) 7.558 8.404 ( -4.625 -5.148 12.595) 14.371 8.654 ( 3.942 -2.304 -3.879) 5.991 8.747 ( -0.498 -4.305 3.944) 5.860 8.877 ( 0.872 -2.792 -4.251) 5.160 9.104 ( 3.865 2.993 0.721) 4.941 9.191 ( 1.075 1.015 -3.926) 4.196 9.522 ( -7.525 2.155 10.317) 12.950 9.578 ( -6.357 1.576 6.936) 9.540 9.716 ( -0.952 -0.411 -3.772) 3.912 9.768 ( 7.496 1.777 -9.042) 11.879 10.657 ( -2.973 -1.255 1.172) 3.433 10.704 ( 2.310 -0.342 -3.479) 4.191 11.066 ( -0.746 -1.851 5.903) 6.232 11.180 ( 2.284 -1.659 -2.952) 4.085 11.347 ( 3.497 1.945 3.858) 5.558 11.398 ( -2.619 4.530 -0.729) 5.283 11.585 ( 3.744 -1.444 1.679) 4.350 11.646 ( -4.090 -0.154 -2.563) 4.829 11.738 ( -0.563 1.839 -2.712) 3.325 11.744 ( -4.391 0.954 -4.610) 6.438 12.366 ( 2.465 7.034 2.725) 7.936 12.399 ( -1.861 5.970 -0.025) 6.253 14.768 ( 6.638 0.001 6.299) 9.151 14.886 ( -5.075 -1.476 -4.158) 6.725 19.405 ( 4.612 -6.057 6.012) 9.700 19.585 ( -4.857 -9.810 -10.508) 15.173 21.026 ( -1.448 -0.264 8.837) 8.959 21.143 ( -2.567 -2.109 0.409) 3.347 21.265 ( -0.229 1.895 1.882) 2.681 21.331 ( 1.761 2.263 -1.557) 3.263 21.888 ( -7.439 0.787 -3.171) 8.125 21.960 ( 8.031 -1.277 -7.930) 11.358 22.969 ( 0.919 -2.220 6.859) 7.267 23.036 ( -3.110 -4.694 3.265) 6.509 23.161 ( 0.127 9.929 -1.390) 10.027 23.279 ( 0.193 7.384 -7.815) 10.754 23.856 ( -6.742 8.734 6.812) 12.967 23.979 ( 8.840 8.276 -4.005) 12.755 ======================= Grid point 165 (83/96) ======================= q-point: (-0.33 0.30 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( -9.257 8.983 -0.123) 12.899 1.872 ( -2.127 -5.500 -1.446) 6.071 1.929 ( -5.778 -7.756 -4.605) 10.712 2.225 ( -14.111 10.727 -6.339) 18.825 2.422 ( 13.326 -10.829 0.253) 17.173 2.594 ( -3.836 -7.628 0.971) 8.593 2.727 ( 8.384 -8.193 5.952) 13.147 2.980 ( 11.334 4.574 0.697) 12.242 3.102 ( -4.598 -3.397 -2.041) 6.070 3.151 ( 3.197 -3.320 -5.708) 7.337 3.334 ( -2.937 -0.516 2.463) 3.868 3.350 ( 4.525 2.069 2.355) 5.505 3.440 ( 3.121 -4.687 -3.170) 6.462 3.654 ( 16.484 6.661 4.543) 18.351 3.934 ( -5.260 -6.695 -0.404) 8.524 4.058 ( -4.070 -12.417 3.029) 13.414 4.100 ( -5.127 -3.103 0.352) 6.004 4.275 ( -4.306 -5.091 4.050) 7.801 4.343 ( 1.571 -7.010 4.725) 8.599 4.459 ( 3.492 -13.096 -0.525) 13.564 4.509 ( -0.917 -4.720 -2.149) 5.266 4.691 ( 7.730 -6.809 11.337) 15.318 4.814 ( -5.737 -4.030 0.239) 7.015 4.929 ( 0.548 -7.499 2.979) 8.087 4.961 ( -0.132 -4.814 4.295) 6.453 5.073 ( 0.101 0.510 -0.094) 0.528 5.155 ( -4.643 -2.041 -0.100) 5.073 5.324 ( -0.254 1.586 -1.074) 1.933 5.408 ( 7.785 -4.670 -0.995) 9.132 5.516 ( 8.404 0.155 -1.343) 8.512 5.604 ( -5.130 0.701 -5.824) 7.793 5.752 ( -5.285 0.838 1.080) 5.459 5.788 ( 1.285 2.151 2.264) 3.377 5.973 ( -2.497 0.431 -0.805) 2.659 6.120 ( -1.766 2.226 -0.695) 2.926 6.212 ( -7.061 5.023 -5.894) 10.480 6.326 ( 9.256 1.068 4.658) 10.417 6.366 ( 1.802 6.089 -8.494) 10.605 6.510 ( 1.068 3.881 -10.143) 10.913 6.646 ( -4.288 -2.326 1.495) 5.102 6.771 ( -4.347 1.140 0.530) 4.525 6.952 ( 7.745 3.128 5.738) 10.134 7.107 ( -4.801 -5.588 -0.851) 7.416 7.197 ( 1.694 -2.819 -0.254) 3.299 7.395 ( -4.617 2.818 -4.739) 7.192 7.417 ( 3.354 -6.056 4.527) 8.272 7.537 ( -1.583 -4.555 -6.720) 8.272 7.614 ( -1.607 -7.206 -1.977) 7.643 7.725 ( 8.925 -0.924 -5.497) 10.522 7.875 ( -1.888 -6.674 -0.660) 6.968 7.920 ( -2.076 -5.381 1.018) 5.857 8.062 ( -0.085 0.475 1.863) 1.925 8.394 ( -4.569 -5.089 4.377) 8.120 8.560 ( -8.734 -5.036 -3.674) 10.730 8.797 ( 3.429 -1.387 -0.891) 3.805 8.860 ( 0.483 -2.008 -1.744) 2.703 9.124 ( 1.039 1.468 -5.114) 5.421 9.190 ( 2.257 1.293 -3.327) 4.223 9.522 ( -4.809 1.299 9.238) 10.495 9.543 ( -4.288 0.252 9.847) 10.743 9.714 ( 2.144 0.297 1.652) 2.723 9.835 ( 7.892 1.208 -7.579) 11.008 10.664 ( 2.653 0.372 2.200) 3.467 10.793 ( 8.326 0.060 -0.828) 8.367 11.089 ( -0.801 -2.134 1.545) 2.754 11.225 ( 5.417 -0.604 -3.893) 6.698 11.279 ( -6.227 2.795 -0.794) 6.872 11.372 ( -6.789 2.702 -1.799) 7.525 11.484 ( -4.982 -1.043 -0.122) 5.091 11.688 ( 1.803 -0.448 2.285) 2.945 11.706 ( 2.599 3.158 5.310) 6.702 11.816 ( 5.921 1.264 2.230) 6.452 12.342 ( -2.917 6.689 -1.750) 7.504 12.417 ( 0.560 6.411 0.911) 6.499 14.730 ( -4.787 -0.528 -5.423) 7.252 14.940 ( 5.038 -1.048 2.518) 5.729 19.378 ( -5.792 -7.387 -5.930) 11.103 19.546 ( 1.868 -8.696 6.488) 11.009 21.080 ( -2.124 -2.365 6.696) 7.412 21.115 ( -0.889 0.337 0.660) 1.158 21.239 ( -1.822 1.813 0.218) 2.579 21.392 ( 5.818 2.164 -1.330) 6.348 21.713 ( -7.459 -0.597 0.072) 7.483 22.073 ( 6.516 0.480 -2.929) 7.160 22.837 ( -10.293 -7.360 1.540) 12.747 23.142 ( 3.018 6.203 3.898) 7.923 23.193 ( -0.231 7.734 -1.820) 7.949 23.207 ( 1.597 3.666 -0.449) 4.024 23.793 ( -5.202 9.496 4.348) 11.668 24.099 ( 8.784 6.325 -7.807) 13.346 ======================= Grid point 166 (84/96) ======================= q-point: (-0.17 0.30 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -10.968 17.953 -1.571) 21.096 1.817 ( 1.919 -0.993 3.179) 3.844 1.878 ( -2.369 -14.884 -7.556) 16.859 2.141 ( 5.192 10.508 10.332) 15.625 2.403 ( -6.313 -6.303 -3.012) 9.416 2.749 ( 6.692 -2.488 -1.647) 7.327 2.935 ( 3.561 -5.753 7.688) 10.241 2.963 ( -0.030 -6.841 -6.325) 9.317 3.001 ( -1.069 -3.658 0.650) 3.866 3.239 ( -1.671 3.203 -1.169) 3.797 3.352 ( 9.655 -6.743 5.034) 12.808 3.450 ( 1.120 -2.775 5.410) 6.183 3.582 ( 13.951 1.225 -2.176) 14.173 3.765 ( -6.790 -1.033 3.683) 7.793 3.884 ( 0.835 -8.583 -2.243) 8.911 3.961 ( -9.488 -6.367 0.766) 11.452 4.118 ( 2.945 -4.719 5.271) 7.663 4.328 ( 5.051 -1.659 -6.061) 8.062 4.362 ( -7.247 -8.654 -5.199) 12.427 4.492 ( 1.955 -3.185 11.293) 11.895 4.534 ( 1.627 -3.943 1.408) 4.492 4.762 ( -4.417 -4.738 11.576) 13.266 4.905 ( 2.298 -12.495 3.191) 13.099 4.923 ( -5.951 2.923 -4.147) 7.820 4.989 ( -0.701 -7.297 1.001) 7.399 5.076 ( 8.251 -1.652 -1.502) 8.548 5.177 ( 2.354 5.337 5.864) 8.271 5.271 ( 1.531 1.618 -1.958) 2.966 5.465 ( -2.102 -7.423 -7.541) 10.788 5.542 ( 1.966 0.546 -0.693) 2.154 5.568 ( -4.205 2.076 -8.549) 9.751 5.667 ( 1.653 -3.703 1.255) 4.245 5.787 ( 1.185 1.568 1.995) 2.800 5.947 ( 0.964 2.489 -5.245) 5.885 5.991 ( 0.479 2.092 -0.478) 2.199 6.112 ( -2.424 3.984 -0.026) 4.663 6.360 ( -2.621 -0.712 -5.258) 5.918 6.393 ( 2.756 0.169 0.918) 2.910 6.571 ( 9.548 1.154 -0.610) 9.637 6.705 ( 2.249 0.197 3.454) 4.126 6.744 ( -3.719 -1.607 6.057) 7.287 6.926 ( -4.841 -9.122 -5.676) 11.784 7.069 ( 0.478 -4.805 -3.316) 5.858 7.116 ( -8.426 -2.168 -4.822) 9.948 7.235 ( -2.454 -1.884 0.345) 3.112 7.412 ( -2.579 -3.043 -3.572) 5.355 7.572 ( 2.888 -8.094 4.433) 9.670 7.685 ( 7.800 -1.383 -3.336) 8.595 7.777 ( -4.456 -3.710 -2.115) 6.171 7.830 ( 5.250 -1.411 -1.782) 5.721 7.907 ( -1.309 -4.857 0.266) 5.037 8.009 ( -4.634 0.269 0.412) 4.660 8.246 ( -11.189 -0.481 -2.457) 11.466 8.412 ( -1.002 -8.122 -7.581) 11.155 8.813 ( 0.713 -0.420 -4.999) 5.067 8.836 ( -0.507 -1.702 -3.931) 4.314 9.112 ( 2.800 3.333 -4.213) 6.058 9.177 ( -1.491 1.587 -0.891) 2.353 9.534 ( -3.421 1.100 9.660) 10.307 9.589 ( 0.575 -0.372 7.778) 7.808 9.791 ( 1.029 0.256 4.941) 5.054 9.923 ( 7.623 -1.475 -4.459) 8.954 10.784 ( 6.461 2.053 2.970) 7.402 10.969 ( 9.733 0.551 -0.569) 9.765 11.066 ( -2.267 2.174 -0.812) 3.244 11.172 ( -8.329 1.792 2.323) 8.831 11.181 ( -2.654 0.087 -2.821) 3.874 11.317 ( 2.486 0.807 0.902) 2.765 11.417 ( -2.144 -1.003 1.387) 2.744 11.705 ( -2.559 0.201 0.610) 2.638 11.861 ( 7.607 3.830 5.625) 10.207 11.960 ( 4.416 1.906 4.554) 6.624 12.269 ( -2.363 6.969 -2.091) 7.650 12.396 ( -2.573 5.638 -1.509) 6.379 14.642 ( 0.661 -0.650 -3.036) 3.175 14.955 ( -2.919 -1.902 -4.456) 5.657 19.320 ( 3.392 -6.471 1.084) 7.386 19.587 ( -3.615 -9.455 4.803) 11.204 21.061 ( -2.514 0.072 0.721) 2.616 21.091 ( -2.410 1.777 0.725) 3.081 21.271 ( -0.733 -3.180 8.864) 9.446 21.525 ( 10.934 0.146 -2.573) 11.233 21.608 ( -2.934 -0.941 -1.544) 3.446 22.054 ( -8.095 0.239 -0.885) 8.147 22.745 ( -0.594 -4.463 3.080) 5.455 23.077 ( -2.869 6.768 -6.264) 9.658 23.251 ( 2.001 7.006 5.181) 8.940 23.301 ( 3.340 1.385 4.096) 5.463 23.756 ( -3.175 10.327 4.511) 11.708 24.123 ( 3.882 6.066 -12.551) 14.470 ======================= Grid point 167 (85/96) ======================= q-point: ( 0.00 0.40 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -6.742 -16.512 3.734) 18.222 1.587 ( 6.847 -0.448 -10.878) 12.861 1.952 ( 7.702 -1.372 6.133) 9.940 2.152 ( -3.292 0.225 -9.551) 10.105 2.518 ( -0.045 2.277 7.813) 8.138 2.653 ( 0.108 -0.463 -1.600) 1.670 2.922 ( 1.107 0.505 7.150) 7.253 2.966 ( 2.189 0.102 2.425) 3.268 3.030 ( 0.444 -0.160 1.868) 1.926 3.149 ( -3.324 2.545 -7.066) 8.214 3.388 ( 3.512 -4.861 3.763) 7.080 3.506 ( -8.517 -10.324 -5.346) 14.412 3.603 ( 2.287 4.021 3.048) 5.540 3.630 ( -5.377 -0.374 1.081) 5.497 3.822 ( -6.665 -1.653 6.483) 9.443 4.008 ( 14.882 2.680 -1.241) 15.172 4.113 ( -2.153 -2.146 -3.752) 4.828 4.154 ( -2.765 2.953 -15.330) 15.854 4.323 ( 5.378 -3.235 14.373) 15.683 4.592 ( 3.659 -1.592 8.045) 8.980 4.627 ( -3.747 -7.483 -3.390) 9.029 4.715 ( 0.833 -2.497 10.216) 10.550 4.768 ( 2.602 3.621 8.222) 9.354 4.799 ( -0.759 -4.801 -0.955) 4.954 4.901 ( -0.297 1.425 -2.100) 2.555 4.973 ( 0.444 -5.436 -10.879) 12.170 5.206 ( -1.882 2.988 0.670) 3.594 5.389 ( 2.012 5.882 -10.954) 12.595 5.421 ( 1.185 -1.687 4.730) 5.160 5.510 ( -3.435 0.659 -3.847) 5.199 5.592 ( 0.417 1.940 4.037) 4.498 5.646 ( 5.435 0.046 0.281) 5.442 5.853 ( -0.624 -4.800 5.974) 7.689 5.949 ( 3.390 -4.821 7.554) 9.581 5.991 ( -6.204 -6.624 1.623) 9.220 6.060 ( -7.509 -0.933 0.391) 7.577 6.154 ( 1.791 2.277 -4.759) 5.572 6.328 ( -4.549 -9.473 -13.324) 16.970 6.501 ( 4.060 -3.489 4.010) 6.689 6.657 ( -5.468 -1.324 -9.995) 11.469 6.725 ( -3.178 0.284 9.564) 10.083 6.855 ( -5.847 -5.580 2.334) 8.412 6.914 ( 2.438 -2.078 -4.621) 5.623 6.942 ( 9.824 -5.710 -0.667) 11.383 7.224 ( 5.582 -0.453 4.082) 6.930 7.314 ( -4.699 0.769 -4.179) 6.335 7.537 ( 2.609 -2.232 0.875) 3.543 7.583 ( -3.464 -1.954 -5.738) 6.982 7.740 ( -6.596 -1.520 2.369) 7.172 7.816 ( 7.713 -0.573 -3.626) 8.542 7.922 ( 3.172 0.748 2.868) 4.341 8.022 ( 0.976 1.671 -1.742) 2.603 8.084 ( -2.129 -0.279 0.272) 2.164 8.184 ( -1.021 -4.856 -7.845) 9.283 8.754 ( -0.899 0.248 -5.889) 5.962 8.773 ( 2.797 -0.674 -6.705) 7.297 9.180 ( -1.344 2.398 1.939) 3.364 9.204 ( 0.581 1.680 -0.198) 1.789 9.589 ( -3.679 1.859 8.911) 9.818 9.658 ( -0.141 -1.866 6.843) 7.094 9.835 ( 0.017 1.603 -0.679) 1.741 9.940 ( 3.777 -3.170 -6.165) 7.894 10.914 ( -1.636 -0.448 4.712) 5.008 11.019 ( -0.865 1.050 -3.585) 3.834 11.080 ( -4.795 2.270 2.152) 5.725 11.133 ( 4.402 2.045 -3.007) 5.710 11.272 ( 5.343 0.686 2.454) 5.920 11.306 ( -4.180 2.467 -0.429) 4.873 11.513 ( 8.986 -0.334 4.399) 10.011 11.579 ( -7.905 -1.923 -0.952) 8.191 12.057 ( -0.956 2.032 4.361) 4.905 12.089 ( 3.250 0.898 2.423) 4.152 12.359 ( 0.318 4.914 -0.150) 4.926 12.396 ( -2.531 3.449 -2.975) 5.211 14.680 ( 4.454 -0.792 1.242) 4.692 14.761 ( -5.939 -1.149 -6.197) 8.660 19.345 ( 5.325 -4.749 3.884) 8.124 19.394 ( -2.477 -4.847 -0.450) 5.462 21.052 ( -0.436 0.183 2.730) 2.770 21.088 ( -2.134 2.671 -1.756) 3.843 21.271 ( -1.803 -1.188 7.125) 7.445 21.458 ( 0.888 -6.596 -7.987) 10.397 21.770 ( 11.600 0.537 2.524) 11.884 21.819 ( -9.840 0.298 -2.370) 10.126 22.817 ( 3.845 -0.831 8.501) 9.367 22.989 ( -4.838 0.353 -7.134) 8.627 23.423 ( -0.499 3.905 1.992) 4.412 23.436 ( 2.958 3.551 0.991) 4.727 23.945 ( -1.117 6.532 7.031) 9.661 24.143 ( 0.079 4.470 -10.488) 11.401 ======================= Grid point 168 (86/96) ======================= q-point: ( 0.17 0.40 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -3.682 -17.116 6.672) 18.736 1.645 ( 8.364 -3.030 -8.669) 12.422 2.045 ( 4.211 1.738 -12.254) 13.073 2.170 ( 8.062 -0.711 4.897) 9.460 2.453 ( -8.735 -6.664 1.954) 11.159 2.676 ( -1.514 -0.568 -1.823) 2.437 2.871 ( -4.628 3.026 -2.294) 5.987 2.900 ( -8.391 2.445 -3.545) 9.432 2.982 ( -3.868 -0.669 1.399) 4.167 3.151 ( 2.838 6.171 6.807) 9.616 3.365 ( -0.567 -0.129 -2.212) 2.287 3.506 ( -4.477 -1.164 6.663) 8.112 3.580 ( 0.413 -3.243 2.988) 4.428 3.697 ( 1.211 -3.667 -3.041) 4.916 3.736 ( 0.012 0.544 3.421) 3.464 3.991 ( -1.287 -1.720 -3.797) 4.362 4.105 ( -1.126 -2.445 -0.643) 2.768 4.191 ( 4.378 -0.170 -5.138) 6.753 4.382 ( -3.115 0.518 0.527) 3.201 4.517 ( -5.781 -11.835 0.772) 13.194 4.652 ( -4.773 -9.128 -5.910) 11.876 4.701 ( -3.621 3.665 2.174) 5.592 4.796 ( 6.861 -1.576 5.276) 8.797 4.861 ( 0.805 -6.172 -1.848) 6.493 4.944 ( 5.879 -1.831 -7.404) 9.629 5.031 ( 7.205 0.085 0.485) 7.221 5.156 ( -3.319 6.822 0.045) 7.587 5.311 ( -2.019 -2.309 2.070) 3.700 5.383 ( -7.193 -0.596 1.938) 7.473 5.511 ( -4.237 4.704 -2.171) 6.692 5.593 ( 7.742 2.861 -0.167) 8.256 5.727 ( -7.326 -7.805 -7.626) 13.143 5.787 ( 6.537 3.277 5.551) 9.180 5.943 ( -0.903 1.567 0.981) 2.057 5.970 ( -4.055 -0.229 2.128) 4.585 6.092 ( -1.120 -0.199 11.533) 11.589 6.238 ( 2.312 -2.422 -2.427) 4.136 6.356 ( 12.877 -7.477 4.832) 15.655 6.371 ( -6.987 -0.624 1.581) 7.191 6.609 ( -1.343 -4.958 3.995) 6.507 6.743 ( -5.329 -6.762 0.927) 8.660 6.826 ( 4.653 -2.070 -0.443) 5.112 6.956 ( 6.093 1.381 -4.787) 7.871 7.070 ( 5.424 -3.141 -4.790) 7.888 7.212 ( 1.146 -0.294 -2.330) 2.613 7.362 ( 3.619 -2.339 0.393) 4.327 7.509 ( -1.720 -1.738 -0.174) 2.452 7.590 ( 0.118 -3.014 2.439) 3.879 7.609 ( -5.572 -2.570 0.202) 6.139 7.882 ( -0.077 0.016 -3.580) 3.580 7.958 ( 3.293 0.900 -8.652) 9.301 8.025 ( 3.426 0.658 2.310) 4.184 8.170 ( 1.443 -1.064 4.109) 4.483 8.198 ( 10.000 -2.774 2.370) 10.645 8.691 ( -1.914 -1.505 -0.102) 2.437 8.815 ( 7.064 0.089 -6.214) 9.408 9.164 ( -2.382 2.925 1.517) 4.066 9.200 ( -0.539 0.806 0.302) 1.015 9.591 ( -3.287 2.266 6.318) 7.474 9.691 ( -3.055 -1.965 6.040) 7.048 9.795 ( -1.888 2.422 -3.082) 4.351 9.906 ( -0.326 -3.784 -7.623) 8.517 10.844 ( -8.847 0.730 5.692) 10.545 10.939 ( -4.324 -0.068 -5.079) 6.671 11.062 ( -1.948 1.349 1.704) 2.918 11.119 ( -1.898 -0.054 2.595) 3.215 11.283 ( -1.579 2.556 -1.349) 3.294 11.352 ( 3.623 0.031 -1.682) 3.994 11.485 ( 2.596 0.196 -2.469) 3.588 11.700 ( 5.770 0.476 2.372) 6.257 11.984 ( -7.163 2.381 0.191) 7.551 12.094 ( -2.732 0.706 -3.873) 4.792 12.359 ( 0.418 4.933 0.365) 4.964 12.406 ( 2.115 2.408 3.354) 4.639 14.626 ( -2.931 0.778 -1.512) 3.389 14.810 ( 5.289 -2.649 3.485) 6.866 19.279 ( -3.460 -2.633 -2.415) 4.974 19.520 ( 7.115 -6.472 -1.968) 9.817 21.023 ( -2.641 2.802 1.704) 4.211 21.109 ( 1.214 -0.906 2.984) 3.347 21.299 ( -2.589 -0.267 7.045) 7.510 21.353 ( -4.530 -5.148 -4.107) 7.994 21.719 ( 3.961 -0.310 -7.152) 8.182 22.030 ( 11.625 -0.359 1.793) 11.768 22.818 ( -4.652 -0.337 -6.133) 7.705 22.955 ( 1.096 -0.427 8.494) 8.575 23.398 ( -2.251 3.180 -1.311) 4.111 23.478 ( 2.098 4.338 -2.523) 5.439 24.000 ( -1.847 5.970 8.974) 10.936 24.052 ( 0.398 5.516 -7.488) 9.309 ======================= Grid point 169 (87/96) ======================= q-point: ( 0.33 0.40 -0.60) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 2.642 -18.050 8.102) 19.961 1.709 ( 7.277 -7.271 -8.170) 13.137 2.063 ( 7.895 3.208 -12.439) 15.078 2.279 ( -5.032 -2.759 3.109) 6.526 2.310 ( -4.888 -2.695 0.235) 5.587 2.510 ( -8.268 -15.367 -1.359) 17.503 2.677 ( -0.047 2.350 -5.735) 6.198 2.926 ( 0.317 0.290 2.643) 2.677 2.986 ( 4.720 0.758 -0.325) 4.792 3.236 ( -4.692 22.482 7.249) 24.083 3.382 ( 3.182 1.712 -1.124) 3.784 3.457 ( -0.037 1.559 1.013) 1.860 3.529 ( -5.031 8.300 -1.027) 9.760 3.712 ( 3.387 -4.952 1.293) 6.137 3.783 ( -1.547 -2.357 0.083) 2.820 3.938 ( -4.819 -1.211 -0.673) 5.014 4.072 ( 0.045 -11.820 1.838) 11.962 4.157 ( -6.321 5.404 -5.387) 9.909 4.302 ( -0.906 -4.434 4.016) 6.051 4.423 ( -2.060 -9.616 -7.800) 12.552 4.550 ( -1.238 -13.655 0.106) 13.711 4.602 ( -2.492 -4.339 -9.778) 10.984 4.762 ( -3.627 -10.609 -9.460) 14.669 4.884 ( -4.069 -5.817 -5.830) 9.186 4.960 ( -0.169 -0.051 1.816) 1.824 5.093 ( 3.875 -2.490 -2.018) 5.028 5.143 ( 4.180 -1.747 0.743) 4.591 5.270 ( -11.554 3.508 4.707) 12.960 5.374 ( -0.658 0.419 5.845) 5.897 5.471 ( -1.444 1.502 7.323) 7.614 5.549 ( -5.128 0.746 -4.073) 6.591 5.619 ( 3.654 1.484 -0.169) 3.948 5.937 ( 4.205 0.309 -4.923) 6.482 5.946 ( -1.342 -1.464 3.315) 3.864 6.117 ( 2.800 5.682 11.798) 13.391 6.128 ( 1.178 3.226 6.887) 7.696 6.261 ( 0.041 4.977 11.929) 12.926 6.372 ( 1.368 2.496 -1.981) 3.468 6.464 ( 1.361 -1.321 -0.548) 1.974 6.673 ( 4.916 -6.617 -4.916) 9.598 6.841 ( 4.529 -0.838 0.254) 4.613 6.879 ( 7.721 -4.347 6.614) 11.057 7.024 ( 8.653 2.027 -5.207) 10.300 7.141 ( 4.604 -1.976 -0.039) 5.010 7.262 ( -3.045 -1.973 2.238) 4.263 7.322 ( -0.316 -7.848 -5.319) 9.485 7.449 ( 0.085 -1.863 -1.094) 2.163 7.585 ( -0.980 -3.641 -0.102) 3.772 7.630 ( 2.001 -3.674 -1.062) 4.317 7.791 ( -0.616 -0.396 -5.253) 5.304 7.966 ( 1.507 1.937 -2.849) 3.760 8.069 ( -2.076 -0.040 1.546) 2.589 8.267 ( -1.738 -0.968 14.147) 14.286 8.447 ( 15.150 -2.442 -2.911) 15.620 8.675 ( -2.563 -2.085 4.808) 5.834 8.859 ( 3.912 -0.573 -7.947) 8.876 9.130 ( -1.094 2.757 -0.345) 2.986 9.203 ( 0.167 -0.092 0.662) 0.689 9.616 ( -0.950 2.263 5.810) 6.307 9.650 ( -8.562 0.679 7.924) 11.686 9.743 ( 2.461 0.920 -6.021) 6.569 9.798 ( -1.851 -2.166 -8.171) 8.654 10.727 ( -7.579 0.559 2.895) 8.132 10.782 ( -5.494 -0.257 -4.787) 7.292 11.034 ( -2.813 0.300 3.629) 4.601 11.125 ( -0.864 -3.131 1.309) 3.502 11.257 ( 2.087 1.564 2.677) 3.737 11.450 ( 7.033 1.157 -2.545) 7.569 11.521 ( 1.648 1.916 -1.506) 2.942 11.748 ( -1.263 0.999 -1.106) 1.954 11.849 ( -5.404 2.277 -1.702) 6.106 11.938 ( -6.924 -0.432 -7.699) 10.364 12.407 ( 2.388 5.110 2.783) 6.289 12.471 ( 0.908 1.995 3.273) 3.940 14.637 ( 2.883 1.545 3.566) 4.839 14.898 ( 0.506 -3.017 1.653) 3.477 19.242 ( 1.634 -2.242 -0.745) 2.872 19.554 ( 0.884 -6.132 -6.796) 9.196 21.011 ( -1.626 2.006 3.850) 4.635 21.123 ( -2.458 -3.173 1.244) 4.203 21.297 ( 1.457 -0.182 0.270) 1.493 21.313 ( -2.731 1.003 6.355) 6.990 21.779 ( 9.963 -2.143 -9.160) 13.702 22.122 ( -2.910 0.683 -3.855) 4.879 22.773 ( 5.739 -2.134 -1.536) 6.313 23.015 ( -4.577 -1.765 8.567) 9.872 23.334 ( -1.490 4.694 -2.505) 5.525 23.469 ( 0.943 5.161 -5.143) 7.347 24.028 ( -2.493 5.685 5.610) 8.367 24.036 ( 2.113 5.420 -1.379) 5.979 ======================= Grid point 170 (88/96) ======================= q-point: (-0.50 0.40 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 1.104 -18.414 7.947) 20.085 1.758 ( 4.543 -8.216 -8.525) 12.682 2.030 ( -9.188 -3.209 -5.998) 11.432 2.050 ( 5.308 -3.164 -7.275) 9.545 2.353 ( 1.350 -5.298 7.430) 9.225 2.467 ( 1.732 -10.706 -2.374) 11.102 2.752 ( 3.696 -2.582 2.957) 5.392 2.872 ( -6.782 4.781 -6.715) 10.674 3.100 ( 6.051 5.969 4.455) 9.596 3.192 ( 1.616 6.596 -1.434) 6.941 3.398 ( -2.237 10.092 1.105) 10.396 3.444 ( -0.950 8.095 -3.884) 9.029 3.535 ( 2.528 4.029 -0.056) 4.757 3.585 ( -1.703 11.700 -4.842) 12.776 3.855 ( 2.951 -1.667 4.257) 5.441 3.926 ( 0.410 -2.508 1.008) 2.734 4.048 ( 1.080 -4.943 7.402) 8.966 4.134 ( -1.106 -8.253 4.663) 9.544 4.262 ( -4.324 -10.717 -10.447) 15.578 4.279 ( -2.640 -6.788 -5.394) 9.064 4.457 ( -3.133 -9.033 -1.214) 9.637 4.575 ( -3.234 -5.110 -9.360) 11.144 4.661 ( 5.991 -10.236 2.705) 12.165 4.726 ( -7.212 -9.794 -2.430) 12.403 4.978 ( -6.142 0.076 5.233) 8.069 5.084 ( 1.480 -1.570 -1.048) 2.399 5.162 ( 0.362 1.754 0.233) 1.806 5.182 ( -0.686 -2.103 -0.786) 2.348 5.360 ( -4.390 1.393 6.186) 7.713 5.434 ( 0.028 1.689 -0.970) 1.948 5.611 ( 2.565 -3.457 11.207) 12.005 5.732 ( -1.968 1.692 7.652) 8.080 5.959 ( -5.042 2.467 -3.835) 6.798 5.986 ( 8.012 -0.418 -5.879) 9.946 6.057 ( -2.655 -4.176 12.000) 12.980 6.201 ( -4.000 -0.522 -0.272) 4.043 6.330 ( 5.264 0.518 1.709) 5.559 6.398 ( -0.952 4.249 -2.719) 5.134 6.626 ( 9.406 4.204 1.730) 10.447 6.726 ( 0.827 -1.789 -4.782) 5.172 6.882 ( 3.400 2.895 -0.691) 4.519 6.978 ( -3.202 3.424 -7.966) 9.243 7.059 ( 1.550 -0.281 4.123) 4.414 7.192 ( -1.736 0.216 -3.256) 3.696 7.270 ( -2.315 -2.797 6.270) 7.245 7.345 ( 7.303 -5.130 -1.309) 9.020 7.477 ( 3.294 -4.364 -1.735) 5.736 7.535 ( 3.694 -7.602 -6.215) 10.491 7.686 ( 5.753 -0.496 -1.748) 6.033 7.716 ( -5.888 -1.506 -2.917) 6.741 7.986 ( -2.730 1.171 1.205) 3.206 8.010 ( 1.756 -0.218 -0.976) 2.020 8.327 ( -7.872 -2.759 15.681) 17.762 8.623 ( 1.340 -1.123 -0.824) 1.933 8.691 ( 5.053 -1.557 -1.726) 5.562 8.837 ( 2.063 -1.413 -6.245) 6.727 9.145 ( 2.536 1.357 0.313) 2.893 9.199 ( 0.422 0.002 -3.112) 3.140 9.560 ( -7.958 1.716 9.127) 12.230 9.599 ( -6.767 0.542 6.181) 9.181 9.712 ( -0.642 -0.066 -2.565) 2.645 9.796 ( 8.291 1.052 -8.435) 11.874 10.639 ( -3.385 -0.530 2.308) 4.131 10.703 ( 2.573 0.148 -3.999) 4.758 11.032 ( -2.286 -1.529 5.391) 6.052 11.149 ( 4.686 -1.289 -3.866) 6.210 11.382 ( 5.217 1.392 6.694) 8.600 11.483 ( -4.049 4.035 -1.053) 5.813 11.560 ( 4.522 -0.876 0.050) 4.606 11.630 ( -7.241 -1.707 -7.151) 10.319 11.756 ( -5.090 0.968 -0.606) 5.217 11.779 ( 0.271 1.560 -1.179) 1.974 12.479 ( 1.997 4.337 2.180) 5.249 12.493 ( -0.900 3.546 0.981) 3.788 14.774 ( 5.965 0.559 4.937) 7.763 14.855 ( -4.108 -1.601 -2.343) 4.993 19.315 ( 3.840 -3.217 3.275) 5.984 19.437 ( -4.865 -5.454 -7.800) 10.689 21.026 ( -1.852 0.321 5.400) 5.718 21.093 ( 0.105 -2.385 -1.008) 2.591 21.315 ( -2.299 2.509 4.242) 5.438 21.358 ( 2.660 0.625 1.033) 2.921 21.895 ( 3.176 -0.173 -5.061) 5.978 21.935 ( -1.762 -1.003 -7.087) 7.371 22.912 ( -7.731 -2.719 5.488) 9.863 22.951 ( 5.505 -3.276 1.327) 6.542 23.326 ( 0.891 6.358 1.265) 6.543 23.415 ( -0.916 5.572 -5.924) 8.184 24.001 ( -5.571 5.741 5.714) 9.831 24.108 ( 7.120 4.833 -3.598) 9.327 ======================= Grid point 171 (89/96) ======================= q-point: (-0.33 0.40 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -5.292 -18.115 4.246) 19.344 1.650 ( -1.053 -9.499 -11.073) 14.627 1.933 ( -2.493 2.554 -1.178) 3.759 2.242 ( 13.822 -6.742 1.673) 15.470 2.394 ( -3.549 4.374 -4.243) 7.052 2.493 ( 4.936 -9.151 1.433) 10.496 2.613 ( -6.722 1.858 0.109) 6.975 2.829 ( -1.481 -8.449 7.733) 11.549 3.087 ( 0.897 1.723 -8.009) 8.241 3.355 ( 2.619 17.107 -2.972) 17.560 3.401 ( 3.777 5.711 3.959) 7.909 3.462 ( 4.652 5.522 -2.618) 7.680 3.545 ( 5.781 11.315 -4.073) 13.343 3.765 ( 2.855 3.605 1.153) 4.741 3.796 ( -2.961 -3.985 -2.721) 5.662 3.893 ( 3.089 -4.514 2.338) 5.949 4.072 ( -6.448 -4.348 -0.556) 7.796 4.110 ( -1.169 -12.280 0.203) 12.338 4.244 ( 1.598 -0.076 12.718) 12.818 4.280 ( 3.350 -4.800 1.927) 6.162 4.460 ( -0.784 -2.296 -4.260) 4.903 4.527 ( 7.609 -8.026 6.606) 12.882 4.585 ( -3.527 -15.861 0.034) 16.249 4.787 ( 1.314 -8.056 3.674) 8.951 4.925 ( -2.284 2.661 6.286) 7.198 5.079 ( -4.129 -0.684 0.283) 4.195 5.178 ( 3.303 1.680 1.200) 3.895 5.201 ( 1.904 -8.778 -3.300) 9.569 5.417 ( 3.560 2.565 5.798) 7.271 5.482 ( 2.272 -2.648 3.532) 4.965 5.661 ( -3.084 2.888 -7.533) 8.637 5.734 ( -5.381 -1.618 4.784) 7.380 5.842 ( 3.141 2.475 -0.757) 4.070 5.909 ( -7.687 -4.935 0.735) 9.164 6.172 ( 0.142 2.456 1.317) 2.790 6.291 ( 12.085 -2.988 3.467) 12.923 6.319 ( -9.509 4.747 -1.385) 10.718 6.470 ( 8.352 3.097 -3.670) 9.634 6.562 ( -10.062 -0.411 -4.705) 11.116 6.566 ( -4.734 -1.498 -4.005) 6.379 6.803 ( -5.459 1.561 -1.119) 5.787 6.991 ( 0.127 1.681 0.562) 1.777 7.021 ( -8.580 -3.745 -6.867) 11.610 7.171 ( 0.800 2.074 -1.158) 2.506 7.244 ( 3.364 -7.595 1.929) 8.528 7.401 ( -2.205 -6.277 -4.056) 7.792 7.468 ( -3.362 1.160 -5.051) 6.177 7.582 ( 5.118 0.525 -2.102) 5.557 7.674 ( 8.675 -4.982 -4.769) 11.082 7.748 ( 1.129 -2.648 -1.091) 3.079 7.916 ( -3.248 0.769 1.325) 3.592 8.090 ( 1.966 2.058 1.332) 3.142 8.291 ( -6.193 -5.136 6.920) 10.612 8.499 ( -11.787 -1.569 -0.319) 11.895 8.798 ( 8.785 0.837 -6.773) 11.125 8.825 ( 1.321 -1.411 -3.498) 3.997 9.153 ( 0.970 1.414 -3.839) 4.205 9.200 ( 1.524 -0.158 -1.656) 2.256 9.537 ( -4.942 0.424 9.082) 10.348 9.562 ( -5.130 1.149 10.337) 11.596 9.713 ( 2.093 -0.195 1.383) 2.516 9.859 ( 7.102 1.042 -8.518) 11.139 10.674 ( 4.225 0.564 2.935) 5.175 10.794 ( 9.136 0.100 -1.400) 9.243 11.050 ( -0.208 -1.597 3.398) 3.761 11.203 ( 6.146 -1.255 -7.402) 9.703 11.333 ( -7.046 2.387 -3.958) 8.427 11.414 ( -9.589 0.940 -0.339) 9.641 11.499 ( -1.166 2.691 1.793) 3.438 11.645 ( 2.543 -3.169 5.545) 6.875 11.768 ( 3.138 2.470 5.695) 6.956 11.838 ( 5.016 0.938 2.014) 5.486 12.455 ( -2.427 4.828 -1.289) 5.555 12.511 ( -0.006 3.123 -0.173) 3.128 14.728 ( -4.487 0.251 -4.044) 6.046 14.914 ( 4.140 -1.424 0.828) 4.456 19.265 ( -5.506 -4.242 -3.337) 7.710 19.417 ( 1.363 -4.579 4.990) 6.908 21.037 ( -1.516 -1.698 3.253) 3.970 21.113 ( 2.009 -0.385 0.474) 2.099 21.295 ( -2.973 3.586 1.363) 4.854 21.413 ( 3.935 -0.158 -1.613) 4.256 21.700 ( -7.623 -0.661 -2.627) 8.090 22.070 ( 7.368 -0.442 -1.222) 7.481 22.722 ( -11.612 -4.295 3.855) 12.967 23.119 ( 6.752 -2.218 0.449) 7.122 23.332 ( -1.952 6.230 -3.758) 7.533 23.365 ( 0.324 6.287 3.543) 7.223 23.948 ( -4.557 6.093 3.972) 8.583 24.198 ( 6.766 3.730 -6.403) 10.034 ======================= Grid point 172 (90/96) ======================= q-point: (-0.17 0.40 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -5.048 -16.572 2.626) 17.521 1.592 ( 5.280 -7.685 -11.681) 14.946 1.848 ( -3.095 3.440 2.344) 5.187 2.306 ( -3.649 2.007 -5.326) 6.761 2.388 ( 2.212 5.994 6.475) 9.096 2.607 ( 4.942 -7.623 6.793) 11.344 2.765 ( 11.674 -3.167 4.088) 12.768 2.846 ( -0.708 -3.924 2.882) 4.920 3.038 ( 0.627 -0.607 -5.317) 5.389 3.310 ( -5.217 5.625 -8.088) 11.148 3.353 ( 0.008 5.262 -0.123) 5.264 3.566 ( 3.315 6.896 -0.246) 7.655 3.664 ( 2.438 2.732 -0.438) 3.688 3.696 ( -0.575 -7.081 -4.048) 8.176 3.785 ( 3.792 4.412 0.162) 5.819 3.865 ( -10.476 -4.123 6.888) 13.199 4.030 ( 7.310 -4.697 7.219) 11.297 4.212 ( -3.883 -3.541 2.583) 5.856 4.351 ( 2.929 1.195 -10.339) 10.812 4.426 ( 5.715 -4.305 4.601) 8.506 4.513 ( 4.495 1.100 13.313) 14.095 4.599 ( 5.812 -11.219 5.579) 13.812 4.690 ( -0.367 -8.363 3.843) 9.211 4.819 ( -0.213 -8.104 2.468) 8.474 4.974 ( -5.822 2.711 1.939) 6.708 5.050 ( 5.650 -0.509 -1.429) 5.850 5.154 ( 2.099 -7.179 -4.997) 8.995 5.292 ( 2.249 -0.003 8.226) 8.527 5.458 ( -1.949 4.577 0.512) 5.001 5.553 ( 1.323 1.154 -3.681) 4.078 5.577 ( 1.152 -1.459 -5.269) 5.587 5.613 ( -1.145 -1.392 -1.426) 2.298 5.800 ( -1.929 -0.294 4.247) 4.674 6.002 ( -6.368 3.365 1.091) 7.285 6.027 ( 0.442 1.605 -2.962) 3.398 6.180 ( -2.450 2.468 -0.633) 3.535 6.284 ( -13.442 -5.314 -0.603) 14.466 6.413 ( -0.336 0.589 -6.822) 6.856 6.514 ( 3.984 -5.393 -3.203) 7.430 6.677 ( 9.106 -3.142 1.728) 9.786 6.721 ( -6.857 0.805 7.806) 10.422 6.829 ( -1.821 -2.551 -7.261) 7.909 6.965 ( 0.018 -3.796 -5.717) 6.862 7.024 ( -8.351 -4.616 -2.315) 9.818 7.189 ( -6.274 -3.600 -0.977) 7.299 7.380 ( 0.271 -0.681 -3.213) 3.296 7.481 ( 3.690 -1.155 3.881) 5.478 7.671 ( 7.540 -0.485 -5.105) 9.119 7.683 ( 0.011 -4.134 -4.553) 6.150 7.824 ( 6.798 -0.361 -2.549) 7.269 7.855 ( -5.983 -0.930 1.613) 6.266 8.055 ( -4.426 3.435 2.269) 6.045 8.238 ( -12.949 -2.101 -0.066) 13.118 8.267 ( 0.634 -4.908 -5.930) 7.724 8.794 ( 1.296 -1.117 -6.959) 7.167 8.841 ( 1.843 1.214 -7.480) 7.799 9.169 ( 2.665 2.242 -1.242) 3.697 9.196 ( -0.635 0.548 0.065) 0.842 9.551 ( -1.941 0.341 8.414) 8.642 9.591 ( -2.856 0.523 10.727) 11.113 9.797 ( 3.496 0.233 1.626) 3.863 9.905 ( 5.839 -0.499 -6.817) 8.989 10.817 ( 6.219 1.311 3.256) 7.141 10.973 ( 9.670 0.034 -2.192) 9.915 11.090 ( 1.892 0.923 0.453) 2.153 11.175 ( -1.357 -1.050 -3.170) 3.605 11.226 ( -8.713 2.774 3.219) 9.694 11.314 ( 4.539 -0.299 0.020) 4.549 11.439 ( -4.876 2.216 0.800) 5.416 11.690 ( -3.814 -1.541 3.282) 5.262 11.924 ( 6.412 2.496 5.766) 8.978 11.983 ( 5.074 0.665 5.167) 7.272 12.392 ( -2.060 5.541 -2.045) 6.255 12.475 ( -2.269 2.358 -2.349) 4.028 14.644 ( -0.273 0.614 -2.544) 2.632 14.911 ( -2.410 -2.309 -5.065) 6.065 19.217 ( 1.491 -4.057 2.639) 5.064 19.448 ( -2.870 -4.906 3.919) 6.904 21.038 ( -0.509 -1.234 1.347) 1.896 21.144 ( -0.924 1.927 0.452) 2.184 21.249 ( -2.158 1.526 2.467) 3.615 21.475 ( 5.458 -4.591 -6.540) 9.677 21.614 ( 0.392 0.871 2.116) 2.322 22.050 ( -9.402 -0.413 -0.775) 9.443 22.671 ( 1.566 -2.869 6.740) 7.490 23.129 ( -2.042 -0.092 -6.736) 7.039 23.346 ( 3.313 4.458 3.042) 6.333 23.402 ( -0.148 5.309 3.769) 6.513 23.921 ( -2.468 6.393 4.491) 8.193 24.216 ( 3.260 3.452 -9.701) 10.800 ======================= Grid point 173 (91/96) ======================= q-point: ( 0.00 -0.50 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -9.843 0.000 10.425) 14.338 1.553 ( 11.452 0.000 -17.774) 21.144 1.944 ( 5.616 0.000 8.094) 9.851 2.152 ( -4.307 0.000 -6.521) 7.815 2.506 ( -7.410 0.000 4.525) 8.683 2.663 ( 9.840 0.000 -5.832) 11.438 2.925 ( 3.378 0.000 3.228) 4.672 2.964 ( -1.872 0.000 1.512) 2.407 3.091 ( 8.433 0.000 7.936) 11.579 3.238 ( -8.253 0.000 -3.964) 9.155 3.332 ( 0.975 -0.000 0.893) 1.322 3.387 ( -5.274 0.000 -5.027) 7.286 3.628 ( -2.286 -0.000 3.543) 4.216 3.636 ( -2.044 0.000 2.106) 2.935 3.772 ( -4.830 0.000 8.115) 9.444 4.075 ( -2.322 0.000 1.618) 2.830 4.085 ( -4.866 0.000 -3.111) 5.775 4.135 ( 11.536 0.000 -13.774) 17.967 4.327 ( 2.283 0.000 2.802) 3.615 4.482 ( -0.353 0.000 -2.623) 2.646 4.600 ( -0.097 0.000 12.623) 12.624 4.665 ( 12.962 0.000 1.148) 13.012 4.701 ( -2.209 0.000 -5.121) 5.577 4.843 ( 6.683 0.000 2.999) 7.325 4.966 ( 2.486 0.000 -3.646) 4.413 4.968 ( -7.882 0.000 5.783) 9.776 5.203 ( 2.935 0.000 5.447) 6.188 5.390 ( -4.943 0.000 -2.190) 5.407 5.505 ( -2.460 0.000 1.554) 2.910 5.549 ( 2.148 0.000 0.181) 2.156 5.563 ( -0.239 -0.000 3.868) 3.876 5.645 ( 6.484 0.000 0.406) 6.496 5.763 ( -8.529 -0.000 4.633) 9.706 5.888 ( -0.508 0.000 -4.851) 4.878 5.936 ( -2.854 -0.000 10.627) 11.003 6.059 ( -6.966 0.000 -3.740) 7.907 6.190 ( 0.796 0.000 -6.449) 6.498 6.221 ( -0.306 0.000 -9.119) 9.124 6.455 ( 5.837 0.000 3.132) 6.624 6.624 ( -9.181 0.000 -11.905) 15.034 6.721 ( -7.805 0.000 9.312) 12.151 6.815 ( -2.775 -0.000 -1.237) 3.038 6.886 ( 11.590 0.000 -3.057) 11.986 6.891 ( 3.957 0.000 -1.732) 4.319 7.224 ( 5.384 0.000 5.564) 7.743 7.323 ( -3.575 0.000 -3.705) 5.148 7.520 ( 1.908 0.000 0.867) 2.096 7.566 ( -2.787 0.000 -5.837) 6.469 7.727 ( -7.311 0.000 2.588) 7.756 7.809 ( 8.268 0.000 -3.790) 9.095 7.929 ( 4.195 0.000 3.120) 5.228 8.042 ( -2.109 0.000 0.839) 2.270 8.103 ( 0.725 -0.000 1.177) 1.382 8.112 ( -2.090 0.000 -9.995) 10.211 8.760 ( -2.381 0.000 -6.834) 7.237 8.764 ( 4.479 0.000 -7.186) 8.468 9.204 ( -0.927 0.000 2.063) 2.261 9.219 ( 0.117 0.000 0.205) 0.236 9.623 ( -2.230 -1.735 8.380) 8.844 9.623 ( -2.228 1.735 8.380) 8.843 9.861 ( 2.237 0.000 -2.464) 3.328 9.899 ( 2.256 -0.000 -6.771) 7.137 10.909 ( -2.342 0.000 4.989) 5.511 11.027 ( 0.384 0.000 -4.549) 4.565 11.104 ( -5.013 0.000 2.094) 5.432 11.157 ( 3.025 0.000 -3.323) 4.493 11.277 ( 6.383 0.000 3.841) 7.449 11.331 ( -3.180 0.000 -1.162) 3.386 11.512 ( 8.922 0.000 3.889) 9.732 11.555 ( -8.869 0.000 0.392) 8.878 12.080 ( -1.467 -0.000 3.941) 4.206 12.094 ( 3.413 0.000 3.491) 4.882 12.412 ( -1.027 0.000 -1.153) 1.544 12.427 ( -1.100 0.000 -2.151) 2.416 14.673 ( 3.475 0.000 1.021) 3.622 14.749 ( -5.008 0.000 -5.997) 7.813 19.299 ( 7.050 0.000 4.085) 8.148 19.347 ( -4.521 0.000 -0.281) 4.529 21.049 ( 0.342 0.000 3.251) 3.269 21.126 ( -2.708 0.000 -2.517) 3.697 21.268 ( -0.071 0.000 2.885) 2.886 21.377 ( -0.531 0.000 -5.295) 5.322 21.775 ( 10.780 0.000 2.514) 11.070 21.822 ( -9.274 0.000 -2.255) 9.544 22.807 ( 4.223 0.000 9.303) 10.217 22.990 ( -5.076 0.000 -7.334) 8.920 23.464 ( -1.247 0.000 1.630) 2.053 23.474 ( 3.374 0.000 0.862) 3.482 24.008 ( -0.933 0.000 6.432) 6.500 24.186 ( 0.130 0.000 -9.286) 9.287 ======================= Grid point 175 (92/96) ======================= q-point: ( 0.17 -0.50 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -7.250 0.000 12.823) 14.731 1.588 ( 9.875 0.000 -16.396) 19.140 2.057 ( 3.821 0.000 -10.407) 11.087 2.169 ( 7.873 0.000 8.265) 11.414 2.371 ( -11.538 0.000 5.199) 12.655 2.658 ( -5.644 0.000 -7.564) 9.437 2.900 ( 1.359 0.000 -3.708) 3.950 2.919 ( -9.248 0.000 -2.213) 9.509 3.001 ( -5.550 0.000 -4.685) 7.263 3.329 ( 8.805 0.000 5.920) 10.610 3.343 ( 3.136 -0.000 -0.845) 3.248 3.462 ( 3.880 0.000 11.048) 11.710 3.627 ( -3.866 0.000 3.558) 5.254 3.653 ( 1.768 -0.000 3.420) 3.850 3.719 ( -4.973 -0.000 3.059) 5.838 3.874 ( -5.614 0.000 -5.084) 7.573 4.112 ( 2.360 0.000 4.904) 5.442 4.269 ( 1.665 0.000 -6.377) 6.590 4.312 ( -8.657 -0.000 -10.919) 13.935 4.379 ( 2.921 0.000 6.124) 6.785 4.532 ( -6.468 0.000 -7.162) 9.651 4.765 ( 1.433 -0.000 -8.634) 8.752 4.801 ( 1.123 0.000 5.494) 5.608 4.836 ( -5.607 0.000 6.626) 8.680 4.894 ( 7.320 -0.000 -14.443) 16.192 5.016 ( -1.498 0.000 1.872) 2.398 5.205 ( -5.200 0.000 -6.612) 8.412 5.331 ( 1.332 0.000 10.304) 10.390 5.373 ( -9.891 -0.000 7.816) 12.606 5.568 ( -4.010 -0.000 0.919) 4.114 5.626 ( 0.940 -0.000 -3.842) 3.955 5.629 ( -1.190 0.000 -10.708) 10.774 5.821 ( 8.547 0.000 12.734) 15.337 5.956 ( 0.027 0.000 -9.027) 9.027 6.010 ( 2.501 0.000 19.474) 19.634 6.064 ( 3.084 -0.000 10.712) 11.147 6.207 ( 10.492 0.000 -4.126) 11.274 6.241 ( 0.895 0.000 -1.961) 2.155 6.421 ( 3.952 0.000 0.797) 4.031 6.500 ( -6.994 -0.000 3.315) 7.740 6.676 ( -3.690 0.000 2.324) 4.360 6.812 ( 3.310 0.000 -1.506) 3.636 6.968 ( 7.469 0.000 -3.783) 8.372 7.036 ( 7.795 0.000 -6.154) 9.931 7.214 ( -0.836 0.000 -4.463) 4.541 7.343 ( 1.557 0.000 1.366) 2.071 7.496 ( -3.526 0.000 0.100) 3.527 7.553 ( -2.222 0.000 4.186) 4.739 7.595 ( -3.526 0.000 -1.400) 3.794 7.882 ( 0.983 0.000 -3.446) 3.583 7.965 ( 3.623 0.000 -11.645) 12.195 8.038 ( 1.940 0.000 5.406) 5.743 8.161 ( 1.259 0.000 6.510) 6.631 8.169 ( 10.895 0.000 0.212) 10.897 8.677 ( -2.418 0.000 -0.389) 2.450 8.817 ( 7.351 0.000 -6.595) 9.876 9.194 ( -2.242 0.000 1.582) 2.744 9.206 ( -1.269 0.000 0.438) 1.343 9.620 ( -2.947 0.000 5.354) 6.112 9.666 ( -3.045 0.000 7.438) 8.037 9.838 ( -0.665 0.000 -4.644) 4.691 9.849 ( -0.654 -0.000 -6.753) 6.784 10.849 ( -9.020 0.000 7.241) 11.567 10.941 ( -4.002 0.000 -6.697) 7.802 11.079 ( -1.593 0.000 2.137) 2.665 11.113 ( -4.317 0.000 1.810) 4.681 11.308 ( -6.167 0.000 0.474) 6.185 11.352 ( 7.320 0.000 -4.577) 8.633 11.491 ( 3.953 0.000 -0.302) 3.965 11.703 ( 6.468 0.000 1.766) 6.704 12.008 ( -7.063 0.000 0.280) 7.068 12.099 ( -3.325 0.000 -3.399) 4.755 12.417 ( 0.755 0.000 3.006) 3.099 12.422 ( 1.112 -0.000 0.677) 1.302 14.637 ( -1.973 0.000 -1.459) 2.454 14.780 ( 4.463 0.000 3.520) 5.684 19.254 ( -2.574 0.000 -3.210) 4.114 19.457 ( 6.478 0.000 -0.662) 6.512 21.062 ( -1.579 0.000 -1.228) 2.000 21.094 ( -0.828 -0.000 5.217) 5.282 21.289 ( -3.418 0.000 -1.888) 3.905 21.304 ( -0.186 -0.000 4.111) 4.116 21.716 ( 2.318 0.000 -6.358) 6.768 22.026 ( 11.607 0.000 1.867) 11.756 22.814 ( -4.870 0.000 -7.495) 8.938 22.948 ( 0.599 0.000 9.624) 9.643 23.433 ( -2.177 0.000 -1.000) 2.395 23.522 ( 2.382 0.000 -2.300) 3.311 24.059 ( -1.656 0.000 7.979) 8.149 24.105 ( 0.364 0.000 -6.828) 6.838 ======================= Grid point 177 (93/96) ======================= q-point: ( 0.33 -0.50 -0.60) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 0.136 0.000 12.934) 12.935 1.617 ( 9.544 0.000 -14.177) 17.090 2.081 ( 7.236 0.000 -13.077) 14.945 2.210 ( -10.151 0.000 10.180) 14.376 2.284 ( -7.441 0.000 -2.078) 7.725 2.412 ( -5.927 0.000 -1.465) 6.106 2.693 ( -3.003 -0.000 -5.183) 5.991 2.938 ( 5.868 0.000 -7.085) 9.199 2.987 ( 2.151 0.000 2.531) 3.321 3.425 ( 4.303 -0.000 1.222) 4.473 3.473 ( -4.776 0.000 2.271) 5.288 3.560 ( 2.645 0.000 -0.941) 2.807 3.645 ( 3.838 -0.000 14.238) 14.747 3.700 ( -2.793 0.000 2.620) 3.829 3.732 ( -1.973 -0.000 2.831) 3.451 3.790 ( 3.072 0.000 0.856) 3.189 4.047 ( -3.029 -0.000 -10.492) 10.921 4.147 ( -6.472 0.000 -4.567) 7.921 4.220 ( 1.317 0.000 3.241) 3.499 4.352 ( -7.344 0.000 -7.604) 10.571 4.433 ( -1.882 -0.000 -3.173) 3.690 4.530 ( -8.138 0.000 -4.197) 9.157 4.653 ( -2.415 0.000 -12.442) 12.675 4.815 ( -4.022 0.000 -5.651) 6.936 4.990 ( 1.084 -0.000 -1.265) 1.666 5.008 ( -1.575 0.000 5.099) 5.337 5.146 ( 2.704 0.000 -0.928) 2.859 5.339 ( -5.935 0.000 19.367) 20.256 5.348 ( -3.146 -0.000 -6.228) 6.977 5.497 ( -3.865 0.000 2.634) 4.677 5.549 ( -4.638 0.000 -3.331) 5.711 5.631 ( 8.485 0.000 0.108) 8.486 5.927 ( 4.155 0.000 -2.478) 4.838 5.934 ( -4.900 0.000 1.319) 5.074 6.139 ( -5.756 0.000 6.642) 8.789 6.207 ( -0.867 0.000 14.114) 14.140 6.350 ( -7.903 0.000 0.947) 7.959 6.360 ( 9.882 -0.000 8.436) 12.993 6.494 ( 18.564 -0.000 -2.214) 18.695 6.554 ( 4.062 0.000 -4.215) 5.854 6.830 ( 16.898 0.000 5.729) 17.843 6.832 ( 0.520 -0.000 -0.160) 0.544 7.062 ( 9.490 0.000 -5.584) 11.011 7.106 ( 4.715 -0.000 -0.095) 4.716 7.229 ( -10.849 0.000 -2.455) 11.124 7.256 ( 4.806 0.000 -1.824) 5.141 7.433 ( -0.951 0.000 0.165) 0.965 7.520 ( -5.198 0.000 3.190) 6.098 7.623 ( 4.361 0.000 -3.105) 5.353 7.790 ( -1.076 0.000 -6.401) 6.491 7.987 ( 2.539 0.000 -4.091) 4.814 8.071 ( -2.976 0.000 2.802) 4.087 8.259 ( -3.118 0.000 15.361) 15.674 8.423 ( 16.532 0.000 -4.146) 17.044 8.656 ( -2.729 0.000 5.075) 5.762 8.854 ( 3.669 0.000 -8.608) 9.358 9.158 ( -1.579 0.000 -0.255) 1.600 9.199 ( 0.009 0.000 0.585) 0.585 9.644 ( -0.651 -0.000 4.515) 4.562 9.652 ( -7.146 0.000 9.090) 11.562 9.763 ( 1.284 0.000 -8.341) 8.440 9.765 ( -1.019 -0.000 -5.709) 5.799 10.732 ( -9.267 0.000 4.693) 10.388 10.782 ( -4.376 0.000 -6.405) 7.758 11.037 ( -5.065 0.000 4.506) 6.779 11.092 ( 0.941 0.000 0.033) 0.942 11.273 ( 1.537 0.000 2.998) 3.369 11.458 ( 7.093 0.000 -2.621) 7.562 11.547 ( 1.745 0.000 -0.866) 1.948 11.754 ( -0.852 0.000 -2.659) 2.793 11.872 ( -5.864 0.000 -1.340) 6.015 11.933 ( -7.658 0.000 -7.022) 10.390 12.470 ( 2.118 0.000 2.311) 3.134 12.478 ( 1.261 0.000 4.156) 4.343 14.658 ( 2.989 0.000 3.112) 4.315 14.864 ( 0.567 0.000 2.275) 2.345 19.220 ( 1.917 0.000 -1.690) 2.556 19.495 ( 0.651 0.000 -5.754) 5.791 21.046 ( 0.170 0.000 0.277) 0.325 21.077 ( -4.763 0.000 3.576) 5.956 21.287 ( 1.510 0.000 3.972) 4.249 21.332 ( -0.796 0.000 3.461) 3.552 21.757 ( 9.159 0.000 -8.430) 12.448 22.128 ( -2.369 0.000 -3.932) 4.590 22.752 ( 5.772 0.000 -2.687) 6.367 22.995 ( -5.794 0.000 8.579) 10.352 23.384 ( -0.894 0.000 -1.520) 1.764 23.520 ( 0.987 0.000 -4.658) 4.761 24.084 ( -3.770 0.000 7.257) 8.178 24.089 ( 3.528 0.000 -3.697) 5.110 ======================= Grid point 179 (94/96) ======================= q-point: (-0.50 -0.50 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -1.462 0.000 12.122) 12.210 1.656 ( 6.221 0.000 -13.815) 15.151 2.007 ( -7.005 -0.000 -6.085) 9.279 2.008 ( 1.993 0.000 -4.058) 4.521 2.288 ( 6.024 -0.000 4.691) 7.636 2.356 ( -3.525 0.000 0.274) 3.535 2.731 ( 2.899 0.000 3.238) 4.346 2.905 ( -2.441 0.000 -12.681) 12.914 3.158 ( 14.181 -0.000 4.805) 14.973 3.297 ( -10.436 0.000 -5.781) 11.930 3.507 ( 3.905 -0.000 -0.015) 3.905 3.521 ( -4.136 0.000 -0.733) 4.200 3.640 ( -2.727 0.000 9.118) 9.518 3.708 ( -2.183 0.000 5.135) 5.580 3.908 ( 4.280 -0.000 1.443) 4.516 3.960 ( 14.398 -0.000 4.229) 15.007 4.008 ( -1.066 0.000 -4.623) 4.745 4.038 ( 1.895 0.000 -4.431) 4.820 4.064 ( -3.560 0.000 -6.039) 7.010 4.204 ( -13.845 0.000 -9.008) 16.517 4.276 ( -1.350 -0.000 7.664) 7.782 4.489 ( -1.763 0.000 -10.684) 10.828 4.580 ( 6.748 0.000 3.176) 7.458 4.658 ( -7.714 0.000 -4.942) 9.161 4.954 ( -5.812 0.000 4.920) 7.614 5.043 ( 4.785 0.000 -0.940) 4.876 5.179 ( -0.760 0.000 0.427) 0.871 5.223 ( -2.929 0.000 -4.907) 5.714 5.367 ( -6.749 0.000 11.528) 13.358 5.449 ( -2.702 0.000 0.914) 2.853 5.563 ( 2.387 0.000 12.009) 12.244 5.745 ( -4.730 0.000 5.875) 7.542 5.961 ( 13.048 0.000 -1.640) 13.151 5.980 ( -1.963 0.000 -0.678) 2.077 6.031 ( -11.246 0.000 5.631) 12.577 6.184 ( -1.964 0.000 -1.994) 2.799 6.337 ( 2.903 0.000 4.497) 5.352 6.450 ( 3.351 0.000 -4.092) 5.289 6.678 ( 2.955 0.000 -3.547) 4.616 6.682 ( 1.926 -0.000 -5.361) 5.696 6.937 ( 11.258 -0.000 2.256) 11.482 6.984 ( -8.972 0.000 -3.913) 9.788 7.074 ( 3.823 0.000 4.303) 5.756 7.213 ( -5.178 -0.000 -5.583) 7.615 7.250 ( -0.913 0.000 5.251) 5.330 7.291 ( 14.453 0.000 -1.102) 14.495 7.419 ( -4.764 -0.000 -3.074) 5.670 7.440 ( 8.375 0.000 -3.390) 9.035 7.687 ( 5.267 0.000 -2.347) 5.766 7.708 ( -4.966 0.000 -3.033) 5.819 7.999 ( -5.243 -0.000 0.424) 5.261 8.011 ( 4.244 0.000 -0.704) 4.302 8.301 ( -9.681 0.000 17.143) 19.688 8.612 ( -0.339 0.000 1.056) 1.109 8.678 ( 8.320 0.000 -4.455) 9.437 8.823 ( 2.246 0.000 -6.882) 7.239 9.157 ( 1.858 0.000 -0.031) 1.858 9.198 ( 0.467 0.000 -2.822) 2.861 9.580 ( -8.591 0.000 9.090) 12.507 9.601 ( -6.181 -0.000 5.330) 8.162 9.712 ( -0.831 0.000 -1.841) 2.020 9.806 ( 8.689 0.000 -8.315) 12.027 10.635 ( -3.489 0.000 2.814) 4.482 10.706 ( 2.559 0.000 -4.250) 4.961 11.016 ( -2.638 0.000 5.408) 6.017 11.136 ( 5.429 0.000 -4.228) 6.881 11.395 ( 5.588 0.000 7.644) 9.468 11.534 ( -3.702 0.000 0.824) 3.793 11.551 ( 3.022 0.000 -0.792) 3.125 11.601 ( -7.116 -0.000 -10.201) 12.437 11.767 ( -4.753 0.000 0.762) 4.814 11.795 ( -0.240 0.000 -0.890) 0.922 12.522 ( -0.120 0.000 1.915) 1.919 12.527 ( 1.447 0.000 1.370) 1.993 14.782 ( 5.612 0.000 3.843) 6.802 14.836 ( -3.719 0.000 -1.146) 3.891 19.285 ( 3.883 0.000 2.236) 4.480 19.384 ( -5.137 0.000 -6.729) 8.465 21.033 ( -3.009 0.000 3.116) 4.332 21.067 ( 1.500 0.000 0.472) 1.572 21.344 ( -1.085 -0.000 2.863) 3.062 21.359 ( 1.693 0.000 2.918) 3.373 21.889 ( 11.708 0.000 -5.134) 12.784 21.927 ( -10.050 0.000 -7.105) 12.308 22.884 ( -12.395 0.000 5.232) 13.454 22.920 ( 10.061 0.000 1.202) 10.133 23.388 ( 0.935 0.000 1.547) 1.808 23.470 ( -1.000 0.000 -5.337) 5.430 24.058 ( -5.077 0.000 5.135) 7.221 24.155 ( 6.416 0.000 -3.312) 7.221 ======================= Grid point 181 (95/96) ======================= q-point: (-0.33 -0.50 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -7.792 0.000 9.218) 12.070 1.545 ( 1.423 0.000 -15.016) 15.083 1.948 ( -2.011 0.000 -1.553) 2.541 2.174 ( 11.404 0.000 4.623) 12.305 2.380 ( 9.239 0.000 -4.061) 10.093 2.432 ( 4.638 0.000 0.527) 4.668 2.639 ( -8.541 0.000 -2.526) 8.907 2.768 ( -1.883 0.000 6.024) 6.312 3.126 ( -1.110 0.000 -9.742) 9.805 3.476 ( -0.785 0.000 -2.604) 2.720 3.494 ( 11.882 0.000 1.477) 11.974 3.580 ( -3.882 -0.000 2.483) 4.608 3.687 ( -1.547 -0.000 6.828) 7.001 3.758 ( 5.672 0.000 -0.520) 5.696 3.835 ( -8.179 0.000 -1.635) 8.341 3.838 ( -5.862 0.000 -1.365) 6.019 3.937 ( 0.938 0.000 -10.475) 10.517 4.098 ( 6.378 0.000 -2.973) 7.037 4.139 ( 11.226 -0.000 6.691) 13.069 4.301 ( -2.845 0.000 9.323) 9.747 4.369 ( -1.527 0.000 -5.875) 6.070 4.377 ( 11.407 0.000 10.370) 15.416 4.502 ( -1.107 0.000 -3.760) 3.920 4.698 ( 0.226 0.000 4.695) 4.701 4.960 ( 2.242 0.000 6.228) 6.619 5.103 ( -0.353 0.000 -0.270) 0.444 5.115 ( -6.925 0.000 5.693) 8.965 5.149 ( 0.005 0.000 -3.350) 3.350 5.445 ( -0.790 0.000 5.684) 5.739 5.453 ( 4.582 -0.000 6.584) 8.022 5.683 ( -2.377 0.000 -3.709) 4.405 5.719 ( -2.160 -0.000 4.737) 5.206 5.850 ( -8.753 0.000 0.463) 8.765 5.868 ( 2.629 0.000 -2.145) 3.392 6.201 ( 0.840 0.000 2.030) 2.197 6.247 ( 11.719 0.000 5.402) 12.904 6.375 ( -14.028 0.000 -0.756) 14.048 6.462 ( 5.312 0.000 2.564) 5.899 6.548 ( -9.272 0.000 -6.224) 11.167 6.598 ( 3.540 -0.000 -10.184) 10.782 6.819 ( -6.340 0.000 0.151) 6.342 6.957 ( -11.552 0.000 -8.921) 14.596 7.035 ( -7.685 0.000 1.937) 7.926 7.151 ( 2.329 -0.000 -0.558) 2.395 7.261 ( 0.800 0.000 -3.956) 4.036 7.295 ( 3.118 -0.000 -6.215) 6.954 7.473 ( 0.266 0.000 -3.043) 3.055 7.598 ( 2.416 0.000 -2.168) 3.246 7.607 ( 8.792 -0.000 -4.321) 9.797 7.730 ( 1.920 0.000 -1.486) 2.428 7.924 ( -3.310 0.000 1.471) 3.622 8.119 ( 6.236 0.000 -0.981) 6.313 8.231 ( -11.795 0.000 10.924) 16.077 8.486 ( -11.534 0.000 0.141) 11.535 8.809 ( 10.369 0.000 -8.256) 13.254 8.811 ( 1.671 0.000 -4.470) 4.772 9.171 ( 1.424 0.000 -4.243) 4.476 9.194 ( 1.170 0.000 -0.155) 1.180 9.541 ( -5.355 0.000 9.060) 10.524 9.574 ( -4.892 0.000 10.293) 11.396 9.711 ( 2.031 0.000 1.155) 2.337 9.870 ( 6.858 0.000 -8.686) 11.067 10.680 ( 4.838 0.000 3.209) 5.806 10.796 ( 9.289 -0.000 -1.578) 9.422 11.034 ( -0.067 0.000 3.950) 3.951 11.189 ( 5.885 0.000 -8.589) 10.412 11.357 ( -6.878 0.000 -5.620) 8.882 11.419 ( -8.827 0.000 1.256) 8.916 11.550 ( -2.922 -0.000 -1.239) 3.174 11.592 ( 4.267 0.000 9.827) 10.713 11.792 ( 3.374 0.000 5.894) 6.791 11.848 ( 4.604 0.000 2.110) 5.065 12.508 ( -1.719 0.000 -0.741) 1.872 12.536 ( -0.707 0.000 -1.011) 1.234 14.732 ( -4.124 0.000 -3.141) 5.184 14.898 ( 3.571 0.000 -0.096) 3.572 19.223 ( -5.511 0.000 -2.627) 6.105 19.374 ( 1.230 0.000 4.597) 4.759 21.021 ( -1.288 0.000 2.339) 2.670 21.109 ( 2.235 0.000 0.852) 2.392 21.344 ( -0.779 -0.000 -0.009) 0.779 21.398 ( 1.559 0.000 -0.954) 1.828 21.693 ( -7.708 0.000 -3.649) 8.528 22.065 ( 7.631 0.000 -0.385) 7.640 22.681 ( -12.077 0.000 4.659) 12.945 23.096 ( 6.987 0.000 -0.136) 6.988 23.393 ( -1.810 0.000 -3.270) 3.737 23.426 ( 0.257 0.000 3.245) 3.255 24.008 ( -4.253 0.000 3.676) 5.622 24.235 ( 5.965 0.000 -5.749) 8.285 ======================= Grid point 183 (96/96) ======================= q-point: (-0.17 -0.50 0.40) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( -7.914 0.000 8.896) 11.906 1.507 ( 9.835 0.000 -15.769) 18.585 1.867 ( -3.265 0.000 2.108) 3.887 2.288 ( -4.970 0.000 1.378) 5.158 2.496 ( 8.639 -0.000 -1.931) 8.852 2.518 ( 3.556 0.000 2.503) 4.349 2.764 ( 12.624 0.000 6.849) 14.362 2.820 ( 2.597 0.000 3.437) 4.308 3.034 ( -0.074 0.000 -5.903) 5.903 3.396 ( -7.505 0.000 -3.806) 8.415 3.398 ( -3.440 -0.000 -4.220) 5.445 3.574 ( -6.812 -0.000 -0.404) 6.824 3.686 ( -3.498 0.000 -3.351) 4.844 3.694 ( -6.109 -0.000 0.031) 6.109 3.736 ( -0.503 0.000 7.419) 7.436 3.932 ( 11.187 0.000 -8.934) 14.316 4.018 ( 10.991 0.000 10.641) 15.298 4.129 ( -5.009 0.000 5.181) 7.207 4.351 ( 5.536 0.000 -12.012) 13.226 4.385 ( 3.737 0.000 7.423) 8.311 4.461 ( 8.699 0.000 -0.571) 8.718 4.556 ( -0.948 0.000 6.049) 6.123 4.597 ( 9.648 0.000 12.122) 15.493 4.729 ( 0.275 0.000 2.022) 2.041 5.015 ( -4.022 -0.000 -2.881) 4.947 5.031 ( -2.758 0.000 1.382) 3.085 5.148 ( 1.601 0.000 -2.200) 2.721 5.201 ( 5.698 -0.000 18.868) 19.710 5.513 ( 1.291 0.000 7.122) 7.238 5.572 ( -0.363 0.000 -8.553) 8.561 5.576 ( -3.232 -0.000 -10.275) 10.771 5.588 ( 4.161 -0.000 0.922) 4.262 5.791 ( -1.679 0.000 5.818) 6.055 6.040 ( 5.073 0.000 0.051) 5.073 6.055 ( -17.684 0.000 5.995) 18.673 6.185 ( -9.280 0.000 -2.998) 9.752 6.240 ( -5.891 -0.000 -1.323) 6.038 6.373 ( -2.183 0.000 -6.637) 6.986 6.497 ( -7.730 0.000 -3.750) 8.592 6.638 ( 12.244 0.000 -6.725) 13.969 6.751 ( -5.300 0.000 5.200) 7.425 6.766 ( 5.352 0.000 -5.885) 7.955 6.951 ( -3.624 0.000 -4.838) 6.045 6.979 ( -8.842 -0.000 -2.772) 9.266 7.143 ( -5.112 0.000 0.595) 5.146 7.375 ( 0.642 0.000 -3.350) 3.411 7.478 ( 3.261 0.000 3.197) 4.567 7.637 ( 0.830 0.000 -3.779) 3.869 7.672 ( 9.012 0.000 -6.790) 11.284 7.817 ( 6.002 0.000 -1.913) 6.300 7.850 ( -6.147 0.000 1.567) 6.343 8.121 ( -6.159 0.000 4.814) 7.817 8.152 ( -3.264 0.000 -1.778) 3.717 8.253 ( -7.817 0.000 -4.543) 9.041 8.783 ( 1.642 0.000 -7.135) 7.322 8.855 ( 2.428 0.000 -9.049) 9.369 9.191 ( 2.447 0.000 -0.359) 2.473 9.201 ( -0.102 0.000 0.311) 0.327 9.552 ( -1.462 0.000 7.999) 8.131 9.599 ( -4.065 0.000 11.201) 11.916 9.800 ( 4.807 0.000 0.721) 4.861 9.901 ( 4.814 0.000 -7.576) 8.976 10.830 ( 5.806 0.000 3.333) 6.695 10.973 ( 9.712 0.000 -2.789) 10.105 11.105 ( 4.153 0.000 3.125) 5.197 11.156 ( -0.388 0.000 -5.010) 5.025 11.255 ( -10.010 0.000 3.282) 10.534 11.313 ( 4.653 0.000 -0.810) 4.723 11.467 ( -5.059 0.000 0.499) 5.083 11.668 ( -4.251 0.000 4.803) 6.414 11.949 ( 6.029 0.000 5.910) 8.443 11.989 ( 5.170 0.000 5.293) 7.399 12.458 ( -1.816 0.000 -1.992) 2.695 12.488 ( -2.143 0.000 -2.629) 3.392 14.653 ( -0.819 0.000 -2.224) 2.370 14.885 ( -2.100 0.000 -5.401) 5.795 19.176 ( 0.873 0.000 3.138) 3.258 19.402 ( -2.660 0.000 3.635) 4.505 21.025 ( -0.348 0.000 1.906) 1.937 21.156 ( 0.757 0.000 1.576) 1.748 21.294 ( -1.985 0.000 -3.989) 4.455 21.406 ( 1.770 0.000 -3.940) 4.320 21.624 ( 1.890 0.000 1.981) 2.738 22.045 ( -9.612 0.000 -0.741) 9.640 22.643 ( 2.133 0.000 7.985) 8.265 23.123 ( -1.136 0.000 -6.114) 6.219 23.394 ( 2.597 0.000 2.115) 3.349 23.455 ( -0.554 0.000 3.224) 3.271 23.984 ( -2.215 0.000 4.269) 4.810 24.250 ( 2.896 0.000 -8.584) 9.060 =================== 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 3/27000 10.0 457.111 347.222 345.944 0.000 37.728 0.000 3/27000 20.0 106.246 58.295 92.225 0.000 6.454 0.000 3/27000 30.0 44.277 24.772 38.059 0.000 3.238 0.000 3/27000 40.0 24.462 14.494 21.214 0.000 2.191 0.000 3/27000 50.0 15.985 9.953 14.016 0.000 1.632 0.000 3/27000 60.0 11.584 7.483 10.260 0.000 1.282 0.000 3/27000 70.0 8.984 5.957 8.026 0.000 1.046 0.000 3/27000 80.0 7.304 4.933 6.570 0.000 0.878 0.000 3/27000 90.0 6.143 4.204 5.557 0.000 0.754 0.000 3/27000 100.0 5.298 3.662 4.815 0.000 0.659 0.000 3/27000 110.0 4.660 3.244 4.251 0.000 0.584 0.000 3/27000 120.0 4.161 2.913 3.808 0.000 0.524 0.000 3/27000 130.0 3.761 2.645 3.452 0.000 0.475 0.000 3/27000 140.0 3.435 2.423 3.160 0.000 0.434 0.000 3/27000 150.0 3.162 2.238 2.915 0.000 0.400 0.000 3/27000 160.0 2.932 2.080 2.708 0.000 0.371 0.000 3/27000 170.0 2.735 1.944 2.530 0.000 0.346 0.000 3/27000 180.0 2.565 1.826 2.376 0.000 0.323 0.000 3/27000 190.0 2.416 1.722 2.240 0.000 0.304 0.000 3/27000 200.0 2.284 1.630 2.121 0.000 0.287 0.000 3/27000 210.0 2.167 1.548 2.014 0.000 0.271 0.000 3/27000 220.0 2.062 1.475 1.919 0.000 0.258 0.000 3/27000 230.0 1.968 1.409 1.833 0.000 0.245 0.000 3/27000 240.0 1.882 1.349 1.755 0.000 0.234 0.000 3/27000 250.0 1.804 1.294 1.683 0.000 0.223 0.000 3/27000 260.0 1.733 1.244 1.618 0.000 0.214 0.000 3/27000 270.0 1.667 1.197 1.558 0.000 0.205 0.000 3/27000 280.0 1.607 1.155 1.502 0.000 0.197 0.000 3/27000 290.0 1.551 1.115 1.451 0.000 0.190 0.000 3/27000 300.0 1.499 1.078 1.403 0.000 0.183 0.000 3/27000 310.0 1.451 1.044 1.359 0.000 0.177 0.000 3/27000 320.0 1.405 1.012 1.317 0.000 0.171 0.000 3/27000 330.0 1.363 0.982 1.278 0.000 0.165 0.000 3/27000 340.0 1.323 0.953 1.241 0.000 0.160 0.000 3/27000 350.0 1.286 0.927 1.206 0.000 0.155 0.000 3/27000 360.0 1.251 0.902 1.174 0.000 0.150 0.000 3/27000 370.0 1.217 0.878 1.143 0.000 0.146 0.000 3/27000 380.0 1.186 0.855 1.114 0.000 0.142 0.000 3/27000 390.0 1.156 0.834 1.086 0.000 0.138 0.000 3/27000 400.0 1.127 0.814 1.060 0.000 0.134 0.000 3/27000 410.0 1.100 0.794 1.034 0.000 0.131 0.000 3/27000 420.0 1.075 0.776 1.011 0.000 0.127 0.000 3/27000 430.0 1.050 0.758 0.988 0.000 0.124 0.000 3/27000 440.0 1.027 0.742 0.966 0.000 0.121 0.000 3/27000 450.0 1.004 0.726 0.945 0.000 0.118 0.000 3/27000 460.0 0.983 0.710 0.925 0.000 0.116 0.000 3/27000 470.0 0.962 0.696 0.906 0.000 0.113 0.000 3/27000 480.0 0.943 0.681 0.888 0.000 0.111 0.000 3/27000 490.0 0.924 0.668 0.870 0.000 0.108 0.000 3/27000 500.0 0.906 0.655 0.853 0.000 0.106 0.000 3/27000 510.0 0.888 0.642 0.837 0.000 0.104 0.000 3/27000 520.0 0.872 0.630 0.822 0.000 0.102 0.000 3/27000 530.0 0.856 0.619 0.806 0.000 0.100 0.000 3/27000 540.0 0.840 0.608 0.792 0.000 0.098 0.000 3/27000 550.0 0.825 0.597 0.778 0.000 0.096 0.000 3/27000 560.0 0.811 0.587 0.764 0.000 0.094 0.000 3/27000 570.0 0.797 0.577 0.751 0.000 0.092 0.000 3/27000 580.0 0.783 0.567 0.739 0.000 0.091 0.000 3/27000 590.0 0.770 0.557 0.727 0.000 0.089 0.000 3/27000 600.0 0.758 0.548 0.715 0.000 0.088 0.000 3/27000 610.0 0.745 0.540 0.703 0.000 0.086 0.000 3/27000 620.0 0.734 0.531 0.692 0.000 0.085 0.000 3/27000 630.0 0.722 0.523 0.682 0.000 0.083 0.000 3/27000 640.0 0.711 0.515 0.671 0.000 0.082 0.000 3/27000 650.0 0.700 0.507 0.661 0.000 0.081 0.000 3/27000 660.0 0.690 0.500 0.651 0.000 0.079 0.000 3/27000 670.0 0.680 0.492 0.642 0.000 0.078 0.000 3/27000 680.0 0.670 0.485 0.633 0.000 0.077 0.000 3/27000 690.0 0.660 0.478 0.624 0.000 0.076 0.000 3/27000 700.0 0.651 0.472 0.615 0.000 0.075 0.000 3/27000 710.0 0.642 0.465 0.606 0.000 0.074 0.000 3/27000 720.0 0.633 0.459 0.598 0.000 0.073 0.000 3/27000 730.0 0.625 0.453 0.590 0.000 0.072 0.000 3/27000 740.0 0.616 0.447 0.582 0.000 0.071 0.000 3/27000 750.0 0.608 0.441 0.575 0.000 0.070 0.000 3/27000 760.0 0.600 0.435 0.567 0.000 0.069 0.000 3/27000 770.0 0.593 0.430 0.560 0.000 0.068 0.000 3/27000 780.0 0.585 0.424 0.553 0.000 0.067 0.000 3/27000 790.0 0.578 0.419 0.546 0.000 0.066 0.000 3/27000 800.0 0.571 0.414 0.540 0.000 0.065 0.000 3/27000 810.0 0.564 0.409 0.533 0.000 0.064 0.000 3/27000 820.0 0.557 0.404 0.527 0.000 0.064 0.000 3/27000 830.0 0.551 0.399 0.520 0.000 0.063 0.000 3/27000 840.0 0.544 0.394 0.514 0.000 0.062 0.000 3/27000 850.0 0.538 0.390 0.508 0.000 0.061 0.000 3/27000 860.0 0.532 0.385 0.503 0.000 0.061 0.000 3/27000 870.0 0.526 0.381 0.497 0.000 0.060 0.000 3/27000 880.0 0.520 0.377 0.491 0.000 0.059 0.000 3/27000 890.0 0.514 0.372 0.486 0.000 0.058 0.000 3/27000 900.0 0.508 0.368 0.481 0.000 0.058 0.000 3/27000 910.0 0.503 0.364 0.475 0.000 0.057 0.000 3/27000 920.0 0.497 0.360 0.470 0.000 0.057 0.000 3/27000 930.0 0.492 0.357 0.465 0.000 0.056 0.000 3/27000 940.0 0.487 0.353 0.460 0.000 0.055 0.000 3/27000 950.0 0.482 0.349 0.456 0.000 0.055 0.000 3/27000 960.0 0.477 0.346 0.451 0.000 0.054 0.000 3/27000 970.0 0.472 0.342 0.446 0.000 0.054 0.000 3/27000 980.0 0.467 0.339 0.442 0.000 0.053 0.000 3/27000 990.0 0.463 0.335 0.437 0.000 0.052 0.000 3/27000 1000.0 0.458 0.332 0.433 0.000 0.052 0.000 3/27000 Thermal conductivity related properties were written into "kappa-m6105.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:41:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|