----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 15:58:04]------------------------- Compiled with OpenMP support (max 32 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.577463300466489 0.000000000000000 0.000000000000000 b 0.000000000000000 12.012864989999999 0.000000000000000 c -1.220710514413010 0.000000000000000 7.500553709303164 Atomic positions (fractional): *1 Na 0.80500801247103 0.01433196253338 0.91669176379991 22.990 *2 Na 0.01355243185248 0.24705071516730 0.99897947566999 22.990 *3 Na 0.75933708079239 0.19535627185811 0.45735427896332 22.990 *4 Na 0.52542029387603 0.26385168190287 0.08213290379946 22.990 *5 Na 0.36727212925332 0.08780969900828 0.88913080550303 22.990 6 Na 0.47457970612397 0.76385168190287 0.41786709620054 22.990 *7 Na 0.24370920869612 0.17106608973810 0.49415286405929 22.990 8 Na 0.47457970612397 0.73614831809713 0.91786709620054 22.990 9 Na 0.01355243185248 0.25294928483270 0.49897947566999 22.990 10 Na 0.63272787074668 0.58780969900828 0.61086919449697 22.990 11 Na 0.98644756814752 0.74705071516730 0.50102052433001 22.990 12 Na 0.98644756814752 0.75294928483270 0.00102052433001 22.990 13 Na 0.52542029387603 0.23614831809713 0.58213290379946 22.990 14 Na 0.24066291920762 0.80464372814189 0.54264572103668 22.990 15 Na 0.19499198752898 0.98566803746662 0.08330823620009 22.990 16 Na 0.36727212925332 0.41219030099172 0.38913080550303 22.990 17 Na 0.75629079130388 0.67106608973810 0.00584713594071 22.990 18 Na 0.63272787074668 0.91219030099172 0.11086919449697 22.990 19 Na 0.24066291920762 0.69535627185811 0.04264572103668 22.990 20 Na 0.75629079130388 0.82893391026190 0.50584713594071 22.990 21 Na 0.19499198752898 0.51433196253338 0.58330823620009 22.990 22 Na 0.75933708079239 0.30464372814189 0.95735427896332 22.990 23 Na 0.80500801247103 0.48566803746662 0.41669176379991 22.990 24 Na 0.24370920869612 0.32893391026190 0.99415286405929 22.990 *25 Al 0.07363703959371 0.99408093265941 0.67474997430949 26.982 *26 Al 0.56492892986448 0.97823840031416 0.68109845642648 26.982 27 Al 0.43507107013552 0.47823840031416 0.81890154357352 26.982 28 Al 0.56492892986448 0.52176159968584 0.18109845642648 26.982 29 Al 0.92636296040629 0.49408093265941 0.82525002569051 26.982 30 Al 0.07363703959371 0.50591906734059 0.17474997430949 26.982 31 Al 0.43507107013552 0.02176159968584 0.31890154357352 26.982 32 Al 0.92636296040629 0.00591906734059 0.32525002569051 26.982 *33 S 0.85122976044760 0.64290360457208 0.69291102705870 32.065 *34 S 0.12257470911540 0.83333845413360 0.80273155264202 32.065 *35 S 0.38846736709935 0.60976597463085 0.61712617459420 32.065 36 S 0.85122976044760 0.85709639542792 0.19291102705870 32.065 *37 S 0.09748542248724 0.99356618993449 0.38114680372046 32.065 38 S 0.14877023955240 0.35709639542792 0.30708897294130 32.065 *39 S 0.36961580677551 0.18529558930814 0.23682797012753 32.065 40 S 0.38846736709935 0.89023402536915 0.11712617459420 32.065 41 S 0.63038419322449 0.68529558930814 0.26317202987247 32.065 42 S 0.90251457751276 0.49356618993449 0.11885319627955 32.065 43 S 0.87742529088460 0.33333845413360 0.69726844735798 32.065 44 S 0.14877023955240 0.14290360457208 0.80708897294130 32.065 45 S 0.63038419322449 0.81470441069186 0.76317202987247 32.065 *46 S 0.39495149488511 0.96653458306556 0.58816084266371 32.065 47 S 0.61153263290065 0.39023402536915 0.38287382540580 32.065 48 S 0.09748542248724 0.50643381006551 0.88114680372045 32.065 49 S 0.36961580677551 0.31470441069186 0.73682797012753 32.065 50 S 0.61153263290065 0.10976597463085 0.88287382540580 32.065 51 S 0.60504850511489 0.03346541693444 0.41183915733629 32.065 52 S 0.90251457751276 0.00643381006551 0.61885319627955 32.065 53 S 0.87742529088460 0.16666154586640 0.19726844735798 32.065 54 S 0.60504850511489 0.46653458306556 0.91183915733629 32.065 55 S 0.12257470911540 0.66666154586640 0.30273155264202 32.065 56 S 0.39495149488511 0.53346541693444 0.08816084266371 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.577463300466489 0.000000000000000 0.000000000000000 b 0.000000000000000 12.012864989999999 0.000000000000000 c -1.220710514413010 0.000000000000000 7.500553709303164 Atomic positions (fractional): *1 Na 0.80500801247103 0.01433196253338 0.91669176379991 22.990 > 1 *2 Na 0.01355243185248 0.24705071516730 0.99897947566999 22.990 > 2 *3 Na 0.75933708079239 0.19535627185811 0.45735427896332 22.990 > 3 *4 Na 0.52542029387603 0.26385168190287 0.08213290379946 22.990 > 4 *5 Na 0.36727212925332 0.08780969900828 0.88913080550303 22.990 > 5 6 Na 0.47457970612397 0.76385168190287 0.41786709620054 22.990 > 6 *7 Na 0.24370920869612 0.17106608973810 0.49415286405929 22.990 > 7 8 Na 0.47457970612397 0.73614831809713 0.91786709620054 22.990 > 8 9 Na 0.01355243185248 0.25294928483270 0.49897947566999 22.990 > 9 10 Na 0.63272787074668 0.58780969900828 0.61086919449697 22.990 > 10 11 Na 0.98644756814752 0.74705071516730 0.50102052433001 22.990 > 11 12 Na 0.98644756814752 0.75294928483270 0.00102052433001 22.990 > 12 13 Na 0.52542029387603 0.23614831809713 0.58213290379946 22.990 > 13 14 Na 0.24066291920762 0.80464372814189 0.54264572103668 22.990 > 14 15 Na 0.19499198752898 0.98566803746662 0.08330823620009 22.990 > 15 16 Na 0.36727212925332 0.41219030099172 0.38913080550303 22.990 > 16 17 Na 0.75629079130388 0.67106608973810 0.00584713594071 22.990 > 17 18 Na 0.63272787074668 0.91219030099172 0.11086919449697 22.990 > 18 19 Na 0.24066291920762 0.69535627185811 0.04264572103668 22.990 > 19 20 Na 0.75629079130388 0.82893391026190 0.50584713594071 22.990 > 20 21 Na 0.19499198752898 0.51433196253338 0.58330823620009 22.990 > 21 22 Na 0.75933708079239 0.30464372814189 0.95735427896332 22.990 > 22 23 Na 0.80500801247103 0.48566803746662 0.41669176379991 22.990 > 23 24 Na 0.24370920869612 0.32893391026190 0.99415286405929 22.990 > 24 *25 Al 0.07363703959371 0.99408093265941 0.67474997430949 26.982 > 25 *26 Al 0.56492892986448 0.97823840031416 0.68109845642648 26.982 > 26 27 Al 0.43507107013552 0.47823840031416 0.81890154357352 26.982 > 27 28 Al 0.56492892986448 0.52176159968584 0.18109845642648 26.982 > 28 29 Al 0.92636296040629 0.49408093265941 0.82525002569051 26.982 > 29 30 Al 0.07363703959371 0.50591906734059 0.17474997430949 26.982 > 30 31 Al 0.43507107013552 0.02176159968584 0.31890154357352 26.982 > 31 32 Al 0.92636296040629 0.00591906734059 0.32525002569051 26.982 > 32 *33 S 0.85122976044760 0.64290360457208 0.69291102705870 32.065 > 33 *34 S 0.12257470911540 0.83333845413360 0.80273155264202 32.065 > 34 *35 S 0.38846736709935 0.60976597463085 0.61712617459420 32.065 > 35 36 S 0.85122976044760 0.85709639542792 0.19291102705870 32.065 > 36 *37 S 0.09748542248724 0.99356618993449 0.38114680372046 32.065 > 37 38 S 0.14877023955240 0.35709639542792 0.30708897294130 32.065 > 38 *39 S 0.36961580677551 0.18529558930814 0.23682797012753 32.065 > 39 40 S 0.38846736709935 0.89023402536915 0.11712617459420 32.065 > 40 41 S 0.63038419322449 0.68529558930814 0.26317202987247 32.065 > 41 42 S 0.90251457751276 0.49356618993449 0.11885319627955 32.065 > 42 43 S 0.87742529088460 0.33333845413360 0.69726844735798 32.065 > 43 44 S 0.14877023955240 0.14290360457208 0.80708897294130 32.065 > 44 45 S 0.63038419322449 0.81470441069186 0.76317202987247 32.065 > 45 *46 S 0.39495149488511 0.96653458306556 0.58816084266371 32.065 > 46 47 S 0.61153263290065 0.39023402536915 0.38287382540580 32.065 > 47 48 S 0.09748542248724 0.50643381006551 0.88114680372045 32.065 > 48 49 S 0.36961580677551 0.31470441069186 0.73682797012753 32.065 > 49 50 S 0.61153263290065 0.10976597463085 0.88287382540580 32.065 > 50 51 S 0.60504850511489 0.03346541693444 0.41183915733629 32.065 > 51 52 S 0.90251457751276 0.00643381006551 0.61885319627955 32.065 > 52 53 S 0.87742529088460 0.16666154586640 0.19726844735798 32.065 > 53 54 S 0.60504850511489 0.46653458306556 0.91183915733629 32.065 > 54 55 S 0.12257470911540 0.66666154586640 0.30273155264202 32.065 > 55 56 S 0.39495149488511 0.53346541693444 0.08816084266371 32.065 > 56 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.577463300466489 0.000000000000000 0.000000000000000 b 0.000000000000000 12.012864989999999 0.000000000000000 c -2.441421028826020 0.000000000000000 15.001107418606328 Atomic positions (fractional): *1 Na 0.80500801247103 0.01433196253338 0.45834588189996 22.990 > 1 2 Na 0.80500801247103 0.01433196253338 0.95834588189996 22.990 > 1 *3 Na 0.01355243185248 0.24705071516730 0.49948973783500 22.990 > 2 4 Na 0.01355243185248 0.24705071516730 0.99948973783500 22.990 > 2 *5 Na 0.75933708079239 0.19535627185811 0.22867713948166 22.990 > 3 6 Na 0.75933708079239 0.19535627185811 0.72867713948166 22.990 > 3 *7 Na 0.52542029387603 0.26385168190287 0.04106645189973 22.990 > 4 8 Na 0.52542029387603 0.26385168190287 0.54106645189973 22.990 > 4 *9 Na 0.36727212925332 0.08780969900828 0.44456540275152 22.990 > 5 10 Na 0.36727212925332 0.08780969900828 0.94456540275152 22.990 > 5 11 Na 0.47457970612397 0.76385168190287 0.20893354810027 22.990 > 6 12 Na 0.47457970612397 0.76385168190287 0.70893354810027 22.990 > 6 *13 Na 0.24370920869612 0.17106608973810 0.24707643202965 22.990 > 7 14 Na 0.24370920869612 0.17106608973810 0.74707643202965 22.990 > 7 15 Na 0.47457970612397 0.73614831809713 0.45893354810027 22.990 > 8 16 Na 0.47457970612397 0.73614831809713 0.95893354810027 22.990 > 8 17 Na 0.01355243185248 0.25294928483270 0.24948973783500 22.990 > 9 18 Na 0.01355243185248 0.25294928483270 0.74948973783500 22.990 > 9 19 Na 0.63272787074668 0.58780969900828 0.30543459724848 22.990 > 10 20 Na 0.63272787074668 0.58780969900828 0.80543459724848 22.990 > 10 21 Na 0.98644756814752 0.74705071516730 0.25051026216500 22.990 > 11 22 Na 0.98644756814752 0.74705071516730 0.75051026216500 22.990 > 11 23 Na 0.98644756814752 0.75294928483270 0.00051026216500 22.990 > 12 24 Na 0.98644756814752 0.75294928483270 0.50051026216500 22.990 > 12 25 Na 0.52542029387603 0.23614831809713 0.29106645189973 22.990 > 13 26 Na 0.52542029387603 0.23614831809713 0.79106645189973 22.990 > 13 27 Na 0.24066291920762 0.80464372814189 0.27132286051834 22.990 > 14 28 Na 0.24066291920762 0.80464372814189 0.77132286051834 22.990 > 14 29 Na 0.19499198752898 0.98566803746662 0.04165411810004 22.990 > 15 30 Na 0.19499198752898 0.98566803746662 0.54165411810004 22.990 > 15 31 Na 0.36727212925332 0.41219030099172 0.19456540275152 22.990 > 16 32 Na 0.36727212925332 0.41219030099172 0.69456540275152 22.990 > 16 33 Na 0.75629079130388 0.67106608973810 0.00292356797035 22.990 > 17 34 Na 0.75629079130388 0.67106608973810 0.50292356797035 22.990 > 17 35 Na 0.63272787074668 0.91219030099172 0.05543459724848 22.990 > 18 36 Na 0.63272787074668 0.91219030099172 0.55543459724848 22.990 > 18 37 Na 0.24066291920762 0.69535627185811 0.02132286051834 22.990 > 19 38 Na 0.24066291920762 0.69535627185811 0.52132286051834 22.990 > 19 39 Na 0.75629079130388 0.82893391026190 0.25292356797035 22.990 > 20 40 Na 0.75629079130388 0.82893391026190 0.75292356797035 22.990 > 20 41 Na 0.19499198752898 0.51433196253338 0.29165411810004 22.990 > 21 42 Na 0.19499198752898 0.51433196253338 0.79165411810004 22.990 > 21 43 Na 0.75933708079239 0.30464372814189 0.47867713948166 22.990 > 22 44 Na 0.75933708079239 0.30464372814189 0.97867713948166 22.990 > 22 45 Na 0.80500801247103 0.48566803746662 0.20834588189996 22.990 > 23 46 Na 0.80500801247103 0.48566803746662 0.70834588189996 22.990 > 23 47 Na 0.24370920869612 0.32893391026190 0.49707643202965 22.990 > 24 48 Na 0.24370920869612 0.32893391026190 0.99707643202965 22.990 > 24 *49 Al 0.07363703959371 0.99408093265941 0.33737498715474 26.982 > 25 50 Al 0.07363703959371 0.99408093265941 0.83737498715474 26.982 > 25 *51 Al 0.56492892986448 0.97823840031416 0.34054922821324 26.982 > 26 52 Al 0.56492892986448 0.97823840031416 0.84054922821324 26.982 > 26 53 Al 0.43507107013552 0.47823840031416 0.40945077178676 26.982 > 27 54 Al 0.43507107013552 0.47823840031416 0.90945077178676 26.982 > 27 55 Al 0.56492892986448 0.52176159968584 0.09054922821324 26.982 > 28 56 Al 0.56492892986448 0.52176159968584 0.59054922821324 26.982 > 28 57 Al 0.92636296040629 0.49408093265941 0.41262501284526 26.982 > 29 58 Al 0.92636296040629 0.49408093265941 0.91262501284526 26.982 > 29 59 Al 0.07363703959371 0.50591906734059 0.08737498715474 26.982 > 30 60 Al 0.07363703959371 0.50591906734059 0.58737498715474 26.982 > 30 61 Al 0.43507107013552 0.02176159968584 0.15945077178676 26.982 > 31 62 Al 0.43507107013552 0.02176159968584 0.65945077178676 26.982 > 31 63 Al 0.92636296040629 0.00591906734059 0.16262501284526 26.982 > 32 64 Al 0.92636296040629 0.00591906734059 0.66262501284526 26.982 > 32 *65 S 0.85122976044760 0.64290360457208 0.34645551352935 32.065 > 33 66 S 0.85122976044760 0.64290360457208 0.84645551352935 32.065 > 33 *67 S 0.12257470911540 0.83333845413360 0.40136577632101 32.065 > 34 68 S 0.12257470911540 0.83333845413360 0.90136577632101 32.065 > 34 *69 S 0.38846736709935 0.60976597463085 0.30856308729710 32.065 > 35 70 S 0.38846736709935 0.60976597463085 0.80856308729710 32.065 > 35 71 S 0.85122976044760 0.85709639542792 0.09645551352935 32.065 > 36 72 S 0.85122976044760 0.85709639542792 0.59645551352935 32.065 > 36 *73 S 0.09748542248724 0.99356618993449 0.19057340186023 32.065 > 37 74 S 0.09748542248724 0.99356618993449 0.69057340186023 32.065 > 37 75 S 0.14877023955240 0.35709639542792 0.15354448647065 32.065 > 38 76 S 0.14877023955240 0.35709639542792 0.65354448647065 32.065 > 38 *77 S 0.36961580677551 0.18529558930814 0.11841398506377 32.065 > 39 78 S 0.36961580677551 0.18529558930814 0.61841398506377 32.065 > 39 79 S 0.38846736709935 0.89023402536915 0.05856308729710 32.065 > 40 80 S 0.38846736709935 0.89023402536915 0.55856308729710 32.065 > 40 81 S 0.63038419322449 0.68529558930814 0.13158601493623 32.065 > 41 82 S 0.63038419322449 0.68529558930814 0.63158601493623 32.065 > 41 83 S 0.90251457751276 0.49356618993449 0.05942659813977 32.065 > 42 84 S 0.90251457751276 0.49356618993449 0.55942659813977 32.065 > 42 85 S 0.87742529088460 0.33333845413360 0.34863422367899 32.065 > 43 86 S 0.87742529088460 0.33333845413360 0.84863422367899 32.065 > 43 87 S 0.14877023955240 0.14290360457208 0.40354448647065 32.065 > 44 88 S 0.14877023955240 0.14290360457208 0.90354448647065 32.065 > 44 89 S 0.63038419322449 0.81470441069186 0.38158601493623 32.065 > 45 90 S 0.63038419322449 0.81470441069186 0.88158601493623 32.065 > 45 *91 S 0.39495149488511 0.96653458306556 0.29408042133185 32.065 > 46 92 S 0.39495149488511 0.96653458306556 0.79408042133185 32.065 > 46 93 S 0.61153263290065 0.39023402536915 0.19143691270290 32.065 > 47 94 S 0.61153263290065 0.39023402536915 0.69143691270290 32.065 > 47 95 S 0.09748542248724 0.50643381006551 0.44057340186023 32.065 > 48 96 S 0.09748542248724 0.50643381006551 0.94057340186023 32.065 > 48 97 S 0.36961580677551 0.31470441069186 0.36841398506377 32.065 > 49 98 S 0.36961580677551 0.31470441069186 0.86841398506377 32.065 > 49 99 S 0.61153263290065 0.10976597463085 0.44143691270290 32.065 > 50 100 S 0.61153263290065 0.10976597463085 0.94143691270290 32.065 > 50 101 S 0.60504850511489 0.03346541693444 0.20591957866815 32.065 > 51 102 S 0.60504850511489 0.03346541693444 0.70591957866815 32.065 > 51 103 S 0.90251457751276 0.00643381006551 0.30942659813977 32.065 > 52 104 S 0.90251457751276 0.00643381006551 0.80942659813977 32.065 > 52 105 S 0.87742529088460 0.16666154586640 0.09863422367899 32.065 > 53 106 S 0.87742529088460 0.16666154586640 0.59863422367899 32.065 > 53 107 S 0.60504850511489 0.46653458306556 0.45591957866815 32.065 > 54 108 S 0.60504850511489 0.46653458306556 0.95591957866815 32.065 > 54 109 S 0.12257470911540 0.66666154586640 0.15136577632101 32.065 > 55 110 S 0.12257470911540 0.66666154586640 0.65136577632101 32.065 > 55 111 S 0.39495149488511 0.53346541693444 0.04408042133185 32.065 > 56 112 S 0.39495149488511 0.53346541693444 0.54408042133185 32.065 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7940215 0.0000000 0.1516142 0.0000000 3.9130293 0.0000000 0.1516090 0.0000000 3.8656877 -------------------------- Born effective charges -------------------------- 1 Na 1.1740787 0.0328224 -0.0013045 0.0570663 0.9186707 0.0174090 0.0488756 0.0325256 1.2469233 2 Na 0.9700765 -0.0216025 -0.0250975 -0.0134264 1.1844874 -0.0119658 -0.0944796 0.0231143 1.1248189 3 Na 1.3460283 -0.0452201 0.0775024 -0.0496865 1.2744189 0.1257730 0.0958018 0.0424078 0.9644628 4 Na 0.8443413 0.0235265 -0.0257343 0.0174794 1.2656060 -0.0258793 -0.0716429 -0.0073235 1.1212847 5 Na 1.1335973 -0.0669735 -0.0880666 -0.0182354 1.0631453 -0.1043843 -0.0494668 -0.0290001 1.1805290 6 Na 0.8443413 -0.0235265 -0.0257343 -0.0174794 1.2656060 0.0258793 -0.0716429 0.0073235 1.1212847 7 Na 1.2938948 0.0392726 0.0045577 0.0479055 1.1785715 -0.0045938 -0.0104999 -0.0698153 1.0462740 8 Na 0.8443413 0.0235265 -0.0257343 0.0174794 1.2656060 -0.0258793 -0.0716429 -0.0073235 1.1212847 9 Na 0.9700765 0.0216025 -0.0250975 0.0134264 1.1844874 0.0119658 -0.0944796 -0.0231143 1.1248189 10 Na 1.1335973 0.0669735 -0.0880666 0.0182354 1.0631453 0.1043843 -0.0494668 0.0290001 1.1805290 11 Na 0.9700765 0.0216025 -0.0250975 0.0134264 1.1844874 0.0119658 -0.0944796 -0.0231143 1.1248189 12 Na 0.9700765 -0.0216025 -0.0250975 -0.0134264 1.1844874 -0.0119658 -0.0944796 0.0231143 1.1248189 13 Na 0.8443413 -0.0235265 -0.0257343 -0.0174794 1.2656060 0.0258793 -0.0716429 0.0073235 1.1212847 14 Na 1.3460283 -0.0452201 0.0775024 -0.0496865 1.2744189 0.1257730 0.0958018 0.0424078 0.9644628 15 Na 1.1740787 0.0328224 -0.0013045 0.0570663 0.9186707 0.0174090 0.0488756 0.0325256 1.2469233 16 Na 1.1335973 0.0669735 -0.0880666 0.0182354 1.0631453 0.1043843 -0.0494668 0.0290001 1.1805290 17 Na 1.2938948 -0.0392726 0.0045577 -0.0479055 1.1785715 0.0045938 -0.0104999 0.0698153 1.0462740 18 Na 1.1335973 -0.0669735 -0.0880666 -0.0182354 1.0631453 -0.1043843 -0.0494668 -0.0290001 1.1805290 19 Na 1.3460283 0.0452201 0.0775024 0.0496865 1.2744189 -0.1257730 0.0958018 -0.0424078 0.9644628 20 Na 1.2938948 0.0392726 0.0045577 0.0479055 1.1785715 -0.0045938 -0.0104999 -0.0698153 1.0462740 21 Na 1.1740787 -0.0328224 -0.0013045 -0.0570663 0.9186707 -0.0174090 0.0488756 -0.0325256 1.2469233 22 Na 1.3460283 0.0452201 0.0775024 0.0496865 1.2744189 -0.1257730 0.0958018 -0.0424078 0.9644628 23 Na 1.1740787 -0.0328224 -0.0013045 -0.0570663 0.9186707 -0.0174090 0.0488756 -0.0325256 1.2469233 24 Na 1.2938948 -0.0392726 0.0045577 -0.0479055 1.1785715 0.0045938 -0.0104999 0.0698153 1.0462740 25 Al 1.8418676 0.0961511 0.5803758 0.0702380 2.2701166 -0.0154261 0.5651473 -0.0503729 2.1996848 26 Al 1.5820760 -0.1701390 0.4332008 -0.2247464 2.2273069 0.0176872 0.4122424 -0.0281064 2.4342574 27 Al 1.5820760 0.1701390 0.4332008 0.2247464 2.2273069 -0.0176872 0.4122424 0.0281064 2.4342574 28 Al 1.5820760 0.1701390 0.4332008 0.2247464 2.2273069 -0.0176872 0.4122424 0.0281064 2.4342574 29 Al 1.8418676 -0.0961511 0.5803758 -0.0702380 2.2701166 0.0154261 0.5651473 0.0503729 2.1996848 30 Al 1.8418676 -0.0961511 0.5803758 -0.0702380 2.2701166 0.0154261 0.5651473 0.0503729 2.1996848 31 Al 1.5820760 -0.1701390 0.4332008 -0.2247464 2.2273069 0.0176872 0.4122424 -0.0281064 2.4342574 32 Al 1.8418676 0.0961511 0.5803758 0.0702380 2.2701166 -0.0154261 0.5651473 -0.0503729 2.1996848 33 S -1.6365698 0.2951276 -0.2874313 0.3137491 -2.1179584 0.3634733 -0.3017674 0.4205228 -1.7723986 34 S -1.4229836 0.1862481 -0.2220059 0.1674629 -2.1909653 0.3913710 -0.2086500 0.4421157 -1.8013671 35 S -1.4733342 0.0595867 -0.1061446 0.0220554 -2.0733512 0.4226124 -0.1475757 0.5136423 -1.9700890 36 S -1.6365698 -0.2951276 -0.2874313 -0.3137491 -2.1179584 -0.3634733 -0.3017674 -0.4205228 -1.7723986 37 S -2.1904778 0.0236403 -0.0510052 0.0308441 -1.2560703 0.0078664 -0.0101556 0.0147318 -2.0495169 38 S -1.6365698 0.2951276 -0.2874313 0.3137491 -2.1179584 0.3634733 -0.3017674 0.4205228 -1.7723986 39 S -1.4582208 0.3283915 -0.1683565 0.3085113 -2.3664360 0.1812087 -0.1531914 0.3164992 -1.7248618 40 S -1.4733342 -0.0595867 -0.1061446 -0.0220554 -2.0733512 -0.4226124 -0.1475757 -0.5136423 -1.9700890 41 S -1.4582208 -0.3283915 -0.1683565 -0.3085113 -2.3664360 -0.1812087 -0.1531914 -0.3164992 -1.7248618 42 S -2.1904778 -0.0236403 -0.0510052 -0.0308441 -1.2560703 -0.0078664 -0.0101556 -0.0147318 -2.0495169 43 S -1.4229836 -0.1862481 -0.2220059 -0.1674629 -2.1909653 -0.3913710 -0.2086500 -0.4421157 -1.8013671 44 S -1.6365698 -0.2951276 -0.2874313 -0.3137491 -2.1179584 -0.3634733 -0.3017674 -0.4205228 -1.7723986 45 S -1.4582208 0.3283915 -0.1683565 0.3085113 -2.3664360 0.1812087 -0.1531914 0.3164992 -1.7248618 46 S -2.0043741 -0.0744171 -0.1204904 -0.0015904 -1.3775421 0.1483454 -0.0746378 0.1611877 -2.0000016 47 S -1.4733342 0.0595867 -0.1061446 0.0220554 -2.0733512 0.4226124 -0.1475757 0.5136423 -1.9700890 48 S -2.1904778 -0.0236403 -0.0510052 -0.0308441 -1.2560703 -0.0078664 -0.0101556 -0.0147318 -2.0495169 49 S -1.4582208 -0.3283915 -0.1683565 -0.3085113 -2.3664360 -0.1812087 -0.1531914 -0.3164992 -1.7248618 50 S -1.4733342 -0.0595867 -0.1061446 -0.0220554 -2.0733512 -0.4226124 -0.1475757 -0.5136423 -1.9700890 51 S -2.0043741 -0.0744171 -0.1204904 -0.0015904 -1.3775421 0.1483454 -0.0746378 0.1611877 -2.0000016 52 S -2.1904778 0.0236403 -0.0510052 0.0308441 -1.2560703 0.0078664 -0.0101556 0.0147318 -2.0495169 53 S -1.4229836 0.1862481 -0.2220059 0.1674629 -2.1909653 0.3913710 -0.2086500 0.4421157 -1.8013671 54 S -2.0043741 0.0744171 -0.1204904 0.0015904 -1.3775421 -0.1483454 -0.0746378 -0.1611877 -2.0000016 55 S -1.4229836 -0.1862481 -0.2220059 -0.1674629 -2.1909653 -0.3913710 -0.2086500 -0.4421157 -1.8013671 56 S -2.0043741 0.0744171 -0.1204904 0.0015904 -1.3775421 -0.1483454 -0.0746378 -0.1611877 -2.0000016 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7182 Number of blocks in projector: 7182 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: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 222 eigenvectors found. (2) Block: 500 / 568 (2) 229 eigenvectors found. (2) Block: 568 / 568 (2) 58 eigenvectors found. (2) Complementary block size: 59 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 82 (1) Compute compressed projector. (1) Use standard solver. (1) 54 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 222 eigenvectors found. (2) Block: 500 / 568 (2) 229 eigenvectors found. (2) Block: 568 / 568 (2) 58 eigenvectors found. (2) Complementary block size: 59 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 82 (1) Compute compressed projector. (1) Use standard solver. (1) 54 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 551 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (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: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (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: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (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: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (7182, 7057), data: False |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (1568, 1540), data: False |-- (1568, 54), data: (1568, 82) @ (82, 54) |-- (568, 540), data: False |-- (568, 31), data: (568, 59) @ (59, 31) |-- (68, 58), data: True |-- (250, 229), data: True |-- (250, 222), data: True |-- (500, 474), data: False |-- (500, 16), data: (500, 42) @ (42, 16) |-- (250, 234), data: True |-- (250, 224), data: True |-- (500, 472), data: False |-- (500, 28), data: (500, 56) @ (56, 28) |-- (250, 222), data: True |-- (250, 222), data: True |-- (1568, 1540), data: False |-- (1568, 54), data: (1568, 82) @ (82, 54) |-- (568, 540), data: False |-- (568, 31), data: (568, 59) @ (59, 31) |-- (68, 58), data: True |-- (250, 229), data: True |-- (250, 222), data: True |-- (500, 474), data: False |-- (500, 16), data: (500, 42) @ (42, 16) |-- (250, 234), data: True |-- (250, 224), data: True |-- (500, 472), data: False |-- (500, 28), data: (500, 56) @ (56, 28) |-- (250, 222), data: True |-- (250, 222), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1680 - Time: 2.195 Solver_block: 200 / 1680 - Time: 2.055 Solver_block: 300 / 1680 - Time: 2.059 Solver_block: 400 / 1680 - Time: 2.060 Solver_block: 500 / 1680 - Time: 2.059 Solver_block: 600 / 1680 - Time: 2.057 Solver_block: 700 / 1680 - Time: 2.060 Solver_block: 800 / 1680 - Time: 2.059 Solver_block: 900 / 1680 - Time: 2.061 Solver_block: 1000 / 1680 - Time: 2.058 Solver_block: 1100 / 1680 - Time: 2.051 Solver_block: 1200 / 1680 - Time: 2.052 Solver_block: 1300 / 1680 - Time: 2.054 Solver_block: 1400 / 1680 - Time: 2.058 Solver_block: 1500 / 1680 - Time: 2.054 Solver_block: 1600 / 1680 - Time: 2.054 Solver_block: 1680 / 1680 - Time: 1.751 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 35.855 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7182 Number of blocks in projector: 7182 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: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 222 eigenvectors found. (2) Block: 500 / 568 (2) 229 eigenvectors found. (2) Block: 568 / 568 (2) 58 eigenvectors found. (2) Complementary block size: 59 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 82 (1) Compute compressed projector. (1) Use standard solver. (1) 54 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 222 eigenvectors found. (2) Block: 500 / 568 (2) 229 eigenvectors found. (2) Block: 568 / 568 (2) 58 eigenvectors found. (2) Complementary block size: 59 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 82 (1) Compute compressed projector. (1) Use standard solver. (1) 54 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 551 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (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: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (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: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (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: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (7182, 7057), data: False |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (1568, 1540), data: False |-- (1568, 54), data: (1568, 82) @ (82, 54) |-- (568, 540), data: False |-- (568, 31), data: (568, 59) @ (59, 31) |-- (68, 58), data: True |-- (250, 229), data: True |-- (250, 222), data: True |-- (500, 474), data: False |-- (500, 16), data: (500, 42) @ (42, 16) |-- (250, 234), data: True |-- (250, 224), data: True |-- (500, 472), data: False |-- (500, 28), data: (500, 56) @ (56, 28) |-- (250, 222), data: True |-- (250, 222), data: True |-- (1568, 1540), data: False |-- (1568, 54), data: (1568, 82) @ (82, 54) |-- (568, 540), data: False |-- (568, 31), data: (568, 59) @ (59, 31) |-- (68, 58), data: True |-- (250, 229), data: True |-- (250, 222), data: True |-- (500, 474), data: False |-- (500, 16), data: (500, 42) @ (42, 16) |-- (250, 234), data: True |-- (250, 224), data: True |-- (500, 472), data: False |-- (500, 28), data: (500, 56) @ (56, 28) |-- (250, 222), data: True |-- (250, 222), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 15:59:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:59:59]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.577463300466489 0.000000000000000 0.000000000000000 b 0.000000000000000 12.012864989999999 0.000000000000000 c -1.220710514413010 0.000000000000000 7.500553709303164 Atomic positions (fractional): 1 Na 0.80500801247103 0.01433196253338 0.91669176379991 22.990 2 Na 0.01355243185248 0.24705071516730 0.99897947566999 22.990 3 Na 0.75933708079239 0.19535627185811 0.45735427896332 22.990 4 Na 0.52542029387603 0.26385168190287 0.08213290379946 22.990 5 Na 0.36727212925332 0.08780969900828 0.88913080550303 22.990 6 Na 0.47457970612397 0.76385168190287 0.41786709620054 22.990 7 Na 0.24370920869612 0.17106608973810 0.49415286405929 22.990 8 Na 0.47457970612397 0.73614831809713 0.91786709620054 22.990 9 Na 0.01355243185248 0.25294928483270 0.49897947566999 22.990 10 Na 0.63272787074668 0.58780969900828 0.61086919449697 22.990 11 Na 0.98644756814752 0.74705071516730 0.50102052433001 22.990 12 Na 0.98644756814752 0.75294928483270 0.00102052433001 22.990 13 Na 0.52542029387603 0.23614831809713 0.58213290379946 22.990 14 Na 0.24066291920762 0.80464372814189 0.54264572103668 22.990 15 Na 0.19499198752898 0.98566803746662 0.08330823620009 22.990 16 Na 0.36727212925332 0.41219030099172 0.38913080550303 22.990 17 Na 0.75629079130388 0.67106608973810 0.00584713594071 22.990 18 Na 0.63272787074668 0.91219030099172 0.11086919449697 22.990 19 Na 0.24066291920762 0.69535627185811 0.04264572103668 22.990 20 Na 0.75629079130388 0.82893391026190 0.50584713594071 22.990 21 Na 0.19499198752898 0.51433196253338 0.58330823620009 22.990 22 Na 0.75933708079239 0.30464372814189 0.95735427896332 22.990 23 Na 0.80500801247103 0.48566803746662 0.41669176379991 22.990 24 Na 0.24370920869612 0.32893391026190 0.99415286405929 22.990 25 Al 0.07363703959371 0.99408093265941 0.67474997430949 26.982 26 Al 0.56492892986448 0.97823840031416 0.68109845642648 26.982 27 Al 0.43507107013552 0.47823840031416 0.81890154357352 26.982 28 Al 0.56492892986448 0.52176159968584 0.18109845642648 26.982 29 Al 0.92636296040629 0.49408093265941 0.82525002569051 26.982 30 Al 0.07363703959371 0.50591906734059 0.17474997430949 26.982 31 Al 0.43507107013552 0.02176159968584 0.31890154357352 26.982 32 Al 0.92636296040629 0.00591906734059 0.32525002569051 26.982 33 S 0.85122976044760 0.64290360457208 0.69291102705870 32.065 34 S 0.12257470911540 0.83333845413360 0.80273155264202 32.065 35 S 0.38846736709935 0.60976597463085 0.61712617459420 32.065 36 S 0.85122976044760 0.85709639542792 0.19291102705870 32.065 37 S 0.09748542248724 0.99356618993449 0.38114680372046 32.065 38 S 0.14877023955240 0.35709639542792 0.30708897294130 32.065 39 S 0.36961580677551 0.18529558930814 0.23682797012753 32.065 40 S 0.38846736709935 0.89023402536915 0.11712617459420 32.065 41 S 0.63038419322449 0.68529558930814 0.26317202987247 32.065 42 S 0.90251457751276 0.49356618993449 0.11885319627955 32.065 43 S 0.87742529088460 0.33333845413360 0.69726844735798 32.065 44 S 0.14877023955240 0.14290360457208 0.80708897294130 32.065 45 S 0.63038419322449 0.81470441069186 0.76317202987247 32.065 46 S 0.39495149488511 0.96653458306556 0.58816084266371 32.065 47 S 0.61153263290065 0.39023402536915 0.38287382540580 32.065 48 S 0.09748542248724 0.50643381006551 0.88114680372045 32.065 49 S 0.36961580677551 0.31470441069186 0.73682797012753 32.065 50 S 0.61153263290065 0.10976597463085 0.88287382540580 32.065 51 S 0.60504850511489 0.03346541693444 0.41183915733629 32.065 52 S 0.90251457751276 0.00643381006551 0.61885319627955 32.065 53 S 0.87742529088460 0.16666154586640 0.19726844735798 32.065 54 S 0.60504850511489 0.46653458306556 0.91183915733629 32.065 55 S 0.12257470911540 0.66666154586640 0.30273155264202 32.065 56 S 0.39495149488511 0.53346541693444 0.08816084266371 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.577463300466489 0.000000000000000 0.000000000000000 b 0.000000000000000 12.012864989999999 0.000000000000000 c -2.441421028826020 0.000000000000000 15.001107418606328 Atomic positions (fractional): 1 Na 0.80500801247103 0.01433196253338 0.45834588189996 22.990 > 1 2 Na 0.80500801247103 0.01433196253338 0.95834588189996 22.990 > 1 3 Na 0.01355243185248 0.24705071516730 0.49948973783500 22.990 > 3 4 Na 0.01355243185248 0.24705071516730 0.99948973783500 22.990 > 3 5 Na 0.75933708079239 0.19535627185811 0.22867713948166 22.990 > 5 6 Na 0.75933708079239 0.19535627185811 0.72867713948166 22.990 > 5 7 Na 0.52542029387603 0.26385168190287 0.04106645189973 22.990 > 7 8 Na 0.52542029387603 0.26385168190287 0.54106645189973 22.990 > 7 9 Na 0.36727212925332 0.08780969900828 0.44456540275152 22.990 > 9 10 Na 0.36727212925332 0.08780969900828 0.94456540275152 22.990 > 9 11 Na 0.47457970612397 0.76385168190287 0.20893354810027 22.990 > 11 12 Na 0.47457970612397 0.76385168190287 0.70893354810027 22.990 > 11 13 Na 0.24370920869612 0.17106608973810 0.24707643202965 22.990 > 13 14 Na 0.24370920869612 0.17106608973810 0.74707643202965 22.990 > 13 15 Na 0.47457970612397 0.73614831809713 0.45893354810027 22.990 > 15 16 Na 0.47457970612397 0.73614831809713 0.95893354810027 22.990 > 15 17 Na 0.01355243185248 0.25294928483270 0.24948973783500 22.990 > 17 18 Na 0.01355243185248 0.25294928483270 0.74948973783500 22.990 > 17 19 Na 0.63272787074668 0.58780969900828 0.30543459724848 22.990 > 19 20 Na 0.63272787074668 0.58780969900828 0.80543459724848 22.990 > 19 21 Na 0.98644756814752 0.74705071516730 0.25051026216500 22.990 > 21 22 Na 0.98644756814752 0.74705071516730 0.75051026216500 22.990 > 21 23 Na 0.98644756814752 0.75294928483270 0.00051026216500 22.990 > 23 24 Na 0.98644756814752 0.75294928483270 0.50051026216500 22.990 > 23 25 Na 0.52542029387603 0.23614831809713 0.29106645189973 22.990 > 25 26 Na 0.52542029387603 0.23614831809713 0.79106645189973 22.990 > 25 27 Na 0.24066291920762 0.80464372814189 0.27132286051834 22.990 > 27 28 Na 0.24066291920762 0.80464372814189 0.77132286051834 22.990 > 27 29 Na 0.19499198752898 0.98566803746662 0.04165411810004 22.990 > 29 30 Na 0.19499198752898 0.98566803746662 0.54165411810004 22.990 > 29 31 Na 0.36727212925332 0.41219030099172 0.19456540275152 22.990 > 31 32 Na 0.36727212925332 0.41219030099172 0.69456540275152 22.990 > 31 33 Na 0.75629079130388 0.67106608973810 0.00292356797035 22.990 > 33 34 Na 0.75629079130388 0.67106608973810 0.50292356797035 22.990 > 33 35 Na 0.63272787074668 0.91219030099172 0.05543459724848 22.990 > 35 36 Na 0.63272787074668 0.91219030099172 0.55543459724848 22.990 > 35 37 Na 0.24066291920762 0.69535627185811 0.02132286051834 22.990 > 37 38 Na 0.24066291920762 0.69535627185811 0.52132286051834 22.990 > 37 39 Na 0.75629079130388 0.82893391026190 0.25292356797035 22.990 > 39 40 Na 0.75629079130388 0.82893391026190 0.75292356797035 22.990 > 39 41 Na 0.19499198752898 0.51433196253338 0.29165411810004 22.990 > 41 42 Na 0.19499198752898 0.51433196253338 0.79165411810004 22.990 > 41 43 Na 0.75933708079239 0.30464372814189 0.47867713948166 22.990 > 43 44 Na 0.75933708079239 0.30464372814189 0.97867713948166 22.990 > 43 45 Na 0.80500801247103 0.48566803746662 0.20834588189996 22.990 > 45 46 Na 0.80500801247103 0.48566803746662 0.70834588189996 22.990 > 45 47 Na 0.24370920869612 0.32893391026190 0.49707643202965 22.990 > 47 48 Na 0.24370920869612 0.32893391026190 0.99707643202965 22.990 > 47 49 Al 0.07363703959371 0.99408093265941 0.33737498715474 26.982 > 49 50 Al 0.07363703959371 0.99408093265941 0.83737498715474 26.982 > 49 51 Al 0.56492892986448 0.97823840031416 0.34054922821324 26.982 > 51 52 Al 0.56492892986448 0.97823840031416 0.84054922821324 26.982 > 51 53 Al 0.43507107013552 0.47823840031416 0.40945077178676 26.982 > 53 54 Al 0.43507107013552 0.47823840031416 0.90945077178676 26.982 > 53 55 Al 0.56492892986448 0.52176159968584 0.09054922821324 26.982 > 55 56 Al 0.56492892986448 0.52176159968584 0.59054922821324 26.982 > 55 57 Al 0.92636296040629 0.49408093265941 0.41262501284526 26.982 > 57 58 Al 0.92636296040629 0.49408093265941 0.91262501284526 26.982 > 57 59 Al 0.07363703959371 0.50591906734059 0.08737498715474 26.982 > 59 60 Al 0.07363703959371 0.50591906734059 0.58737498715474 26.982 > 59 61 Al 0.43507107013552 0.02176159968584 0.15945077178676 26.982 > 61 62 Al 0.43507107013552 0.02176159968584 0.65945077178676 26.982 > 61 63 Al 0.92636296040629 0.00591906734059 0.16262501284526 26.982 > 63 64 Al 0.92636296040629 0.00591906734059 0.66262501284526 26.982 > 63 65 S 0.85122976044760 0.64290360457208 0.34645551352935 32.065 > 65 66 S 0.85122976044760 0.64290360457208 0.84645551352935 32.065 > 65 67 S 0.12257470911540 0.83333845413360 0.40136577632101 32.065 > 67 68 S 0.12257470911540 0.83333845413360 0.90136577632101 32.065 > 67 69 S 0.38846736709935 0.60976597463085 0.30856308729710 32.065 > 69 70 S 0.38846736709935 0.60976597463085 0.80856308729710 32.065 > 69 71 S 0.85122976044760 0.85709639542792 0.09645551352935 32.065 > 71 72 S 0.85122976044760 0.85709639542792 0.59645551352935 32.065 > 71 73 S 0.09748542248724 0.99356618993449 0.19057340186023 32.065 > 73 74 S 0.09748542248724 0.99356618993449 0.69057340186023 32.065 > 73 75 S 0.14877023955240 0.35709639542792 0.15354448647065 32.065 > 75 76 S 0.14877023955240 0.35709639542792 0.65354448647065 32.065 > 75 77 S 0.36961580677551 0.18529558930814 0.11841398506377 32.065 > 77 78 S 0.36961580677551 0.18529558930814 0.61841398506377 32.065 > 77 79 S 0.38846736709935 0.89023402536915 0.05856308729710 32.065 > 79 80 S 0.38846736709935 0.89023402536915 0.55856308729710 32.065 > 79 81 S 0.63038419322449 0.68529558930814 0.13158601493623 32.065 > 81 82 S 0.63038419322449 0.68529558930814 0.63158601493623 32.065 > 81 83 S 0.90251457751276 0.49356618993449 0.05942659813977 32.065 > 83 84 S 0.90251457751276 0.49356618993449 0.55942659813977 32.065 > 83 85 S 0.87742529088460 0.33333845413360 0.34863422367899 32.065 > 85 86 S 0.87742529088460 0.33333845413360 0.84863422367899 32.065 > 85 87 S 0.14877023955240 0.14290360457208 0.40354448647065 32.065 > 87 88 S 0.14877023955240 0.14290360457208 0.90354448647065 32.065 > 87 89 S 0.63038419322449 0.81470441069186 0.38158601493623 32.065 > 89 90 S 0.63038419322449 0.81470441069186 0.88158601493623 32.065 > 89 91 S 0.39495149488511 0.96653458306556 0.29408042133185 32.065 > 91 92 S 0.39495149488511 0.96653458306556 0.79408042133185 32.065 > 91 93 S 0.61153263290065 0.39023402536915 0.19143691270290 32.065 > 93 94 S 0.61153263290065 0.39023402536915 0.69143691270290 32.065 > 93 95 S 0.09748542248724 0.50643381006551 0.44057340186023 32.065 > 95 96 S 0.09748542248724 0.50643381006551 0.94057340186023 32.065 > 95 97 S 0.36961580677551 0.31470441069186 0.36841398506377 32.065 > 97 98 S 0.36961580677551 0.31470441069186 0.86841398506377 32.065 > 97 99 S 0.61153263290065 0.10976597463085 0.44143691270290 32.065 > 99 100 S 0.61153263290065 0.10976597463085 0.94143691270290 32.065 > 99 101 S 0.60504850511489 0.03346541693444 0.20591957866815 32.065 > 101 102 S 0.60504850511489 0.03346541693444 0.70591957866815 32.065 > 101 103 S 0.90251457751276 0.00643381006551 0.30942659813977 32.065 > 103 104 S 0.90251457751276 0.00643381006551 0.80942659813977 32.065 > 103 105 S 0.87742529088460 0.16666154586640 0.09863422367899 32.065 > 105 106 S 0.87742529088460 0.16666154586640 0.59863422367899 32.065 > 105 107 S 0.60504850511489 0.46653458306556 0.45591957866815 32.065 > 107 108 S 0.60504850511489 0.46653458306556 0.95591957866815 32.065 > 107 109 S 0.12257470911540 0.66666154586640 0.15136577632101 32.065 > 109 110 S 0.12257470911540 0.66666154586640 0.65136577632101 32.065 > 109 111 S 0.39495149488511 0.53346541693444 0.04408042133185 32.065 > 111 112 S 0.39495149488511 0.53346541693444 0.54408042133185 32.065 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7940215 0.0000000 0.1516142 0.0000000 3.9130293 0.0000000 0.1516090 0.0000000 3.8656877 -------------------------- Born effective charges -------------------------- 1 Na 1.1740787 0.0328224 -0.0013045 0.0570663 0.9186707 0.0174090 0.0488756 0.0325256 1.2469233 2 Na 0.9700765 -0.0216025 -0.0250975 -0.0134264 1.1844874 -0.0119658 -0.0944796 0.0231143 1.1248189 3 Na 1.3460283 -0.0452201 0.0775024 -0.0496865 1.2744189 0.1257730 0.0958018 0.0424078 0.9644628 4 Na 0.8443413 0.0235265 -0.0257343 0.0174794 1.2656060 -0.0258793 -0.0716429 -0.0073235 1.1212847 5 Na 1.1335973 -0.0669735 -0.0880666 -0.0182354 1.0631453 -0.1043843 -0.0494668 -0.0290001 1.1805290 6 Na 0.8443413 -0.0235265 -0.0257343 -0.0174794 1.2656060 0.0258793 -0.0716429 0.0073235 1.1212847 7 Na 1.2938948 0.0392726 0.0045577 0.0479055 1.1785715 -0.0045938 -0.0104999 -0.0698153 1.0462740 8 Na 0.8443413 0.0235265 -0.0257343 0.0174794 1.2656060 -0.0258793 -0.0716429 -0.0073235 1.1212847 9 Na 0.9700765 0.0216025 -0.0250975 0.0134264 1.1844874 0.0119658 -0.0944796 -0.0231143 1.1248189 10 Na 1.1335973 0.0669735 -0.0880666 0.0182354 1.0631453 0.1043843 -0.0494668 0.0290001 1.1805290 11 Na 0.9700765 0.0216025 -0.0250975 0.0134264 1.1844874 0.0119658 -0.0944796 -0.0231143 1.1248189 12 Na 0.9700765 -0.0216025 -0.0250975 -0.0134264 1.1844874 -0.0119658 -0.0944796 0.0231143 1.1248189 13 Na 0.8443413 -0.0235265 -0.0257343 -0.0174794 1.2656060 0.0258793 -0.0716429 0.0073235 1.1212847 14 Na 1.3460283 -0.0452201 0.0775024 -0.0496865 1.2744189 0.1257730 0.0958018 0.0424078 0.9644628 15 Na 1.1740787 0.0328224 -0.0013045 0.0570663 0.9186707 0.0174090 0.0488756 0.0325256 1.2469233 16 Na 1.1335973 0.0669735 -0.0880666 0.0182354 1.0631453 0.1043843 -0.0494668 0.0290001 1.1805290 17 Na 1.2938948 -0.0392726 0.0045577 -0.0479055 1.1785715 0.0045938 -0.0104999 0.0698153 1.0462740 18 Na 1.1335973 -0.0669735 -0.0880666 -0.0182354 1.0631453 -0.1043843 -0.0494668 -0.0290001 1.1805290 19 Na 1.3460283 0.0452201 0.0775024 0.0496865 1.2744189 -0.1257730 0.0958018 -0.0424078 0.9644628 20 Na 1.2938948 0.0392726 0.0045577 0.0479055 1.1785715 -0.0045938 -0.0104999 -0.0698153 1.0462740 21 Na 1.1740787 -0.0328224 -0.0013045 -0.0570663 0.9186707 -0.0174090 0.0488756 -0.0325256 1.2469233 22 Na 1.3460283 0.0452201 0.0775024 0.0496865 1.2744189 -0.1257730 0.0958018 -0.0424078 0.9644628 23 Na 1.1740787 -0.0328224 -0.0013045 -0.0570663 0.9186707 -0.0174090 0.0488756 -0.0325256 1.2469233 24 Na 1.2938948 -0.0392726 0.0045577 -0.0479055 1.1785715 0.0045938 -0.0104999 0.0698153 1.0462740 25 Al 1.8418676 0.0961511 0.5803758 0.0702380 2.2701166 -0.0154261 0.5651473 -0.0503729 2.1996848 26 Al 1.5820760 -0.1701390 0.4332008 -0.2247464 2.2273069 0.0176872 0.4122424 -0.0281064 2.4342574 27 Al 1.5820760 0.1701390 0.4332008 0.2247464 2.2273069 -0.0176872 0.4122424 0.0281064 2.4342574 28 Al 1.5820760 0.1701390 0.4332008 0.2247464 2.2273069 -0.0176872 0.4122424 0.0281064 2.4342574 29 Al 1.8418676 -0.0961511 0.5803758 -0.0702380 2.2701166 0.0154261 0.5651473 0.0503729 2.1996848 30 Al 1.8418676 -0.0961511 0.5803758 -0.0702380 2.2701166 0.0154261 0.5651473 0.0503729 2.1996848 31 Al 1.5820760 -0.1701390 0.4332008 -0.2247464 2.2273069 0.0176872 0.4122424 -0.0281064 2.4342574 32 Al 1.8418676 0.0961511 0.5803758 0.0702380 2.2701166 -0.0154261 0.5651473 -0.0503729 2.1996848 33 S -1.6365698 0.2951276 -0.2874313 0.3137491 -2.1179584 0.3634733 -0.3017674 0.4205228 -1.7723986 34 S -1.4229836 0.1862481 -0.2220059 0.1674629 -2.1909653 0.3913710 -0.2086500 0.4421157 -1.8013671 35 S -1.4733342 0.0595867 -0.1061446 0.0220554 -2.0733512 0.4226124 -0.1475757 0.5136423 -1.9700890 36 S -1.6365698 -0.2951276 -0.2874313 -0.3137491 -2.1179584 -0.3634733 -0.3017674 -0.4205228 -1.7723986 37 S -2.1904778 0.0236403 -0.0510052 0.0308441 -1.2560703 0.0078664 -0.0101556 0.0147318 -2.0495169 38 S -1.6365698 0.2951276 -0.2874313 0.3137491 -2.1179584 0.3634733 -0.3017674 0.4205228 -1.7723986 39 S -1.4582208 0.3283915 -0.1683565 0.3085113 -2.3664360 0.1812087 -0.1531914 0.3164992 -1.7248618 40 S -1.4733342 -0.0595867 -0.1061446 -0.0220554 -2.0733512 -0.4226124 -0.1475757 -0.5136423 -1.9700890 41 S -1.4582208 -0.3283915 -0.1683565 -0.3085113 -2.3664360 -0.1812087 -0.1531914 -0.3164992 -1.7248618 42 S -2.1904778 -0.0236403 -0.0510052 -0.0308441 -1.2560703 -0.0078664 -0.0101556 -0.0147318 -2.0495169 43 S -1.4229836 -0.1862481 -0.2220059 -0.1674629 -2.1909653 -0.3913710 -0.2086500 -0.4421157 -1.8013671 44 S -1.6365698 -0.2951276 -0.2874313 -0.3137491 -2.1179584 -0.3634733 -0.3017674 -0.4205228 -1.7723986 45 S -1.4582208 0.3283915 -0.1683565 0.3085113 -2.3664360 0.1812087 -0.1531914 0.3164992 -1.7248618 46 S -2.0043741 -0.0744171 -0.1204904 -0.0015904 -1.3775421 0.1483454 -0.0746378 0.1611877 -2.0000016 47 S -1.4733342 0.0595867 -0.1061446 0.0220554 -2.0733512 0.4226124 -0.1475757 0.5136423 -1.9700890 48 S -2.1904778 -0.0236403 -0.0510052 -0.0308441 -1.2560703 -0.0078664 -0.0101556 -0.0147318 -2.0495169 49 S -1.4582208 -0.3283915 -0.1683565 -0.3085113 -2.3664360 -0.1812087 -0.1531914 -0.3164992 -1.7248618 50 S -1.4733342 -0.0595867 -0.1061446 -0.0220554 -2.0733512 -0.4226124 -0.1475757 -0.5136423 -1.9700890 51 S -2.0043741 -0.0744171 -0.1204904 -0.0015904 -1.3775421 0.1483454 -0.0746378 0.1611877 -2.0000016 52 S -2.1904778 0.0236403 -0.0510052 0.0308441 -1.2560703 0.0078664 -0.0101556 0.0147318 -2.0495169 53 S -1.4229836 0.1862481 -0.2220059 0.1674629 -2.1909653 0.3913710 -0.2086500 0.4421157 -1.8013671 54 S -2.0043741 0.0744171 -0.1204904 0.0015904 -1.3775421 -0.1483454 -0.0746378 -0.1611877 -2.0000016 55 S -1.4229836 -0.1862481 -0.2220059 -0.1674629 -2.1909653 -0.3913710 -0.2086500 -0.4421157 -1.8013671 56 S -2.0043741 0.0744171 -0.1204904 0.0015904 -1.3775421 -0.1483454 -0.0746378 -0.1611877 -2.0000016 ---------------------------------------------------------------------------- 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] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] 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] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] Computing fc3[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] 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] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] Computing fc3[ 13, 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] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] 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] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] Computing fc3[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] 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] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] Computing fc3[ 67, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] 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] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] 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] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] Computing fc3[ 77, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] Computing fc3[ 91, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 16:01:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:01:11]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.577463300466489 0.000000000000000 0.000000000000000 b 0.000000000000000 12.012864989999999 0.000000000000000 c -1.220710514413010 0.000000000000000 7.500553709303164 Atomic positions (fractional): 1 Na 0.80500801247103 0.01433196253338 0.91669176379991 22.990 2 Na 0.01355243185248 0.24705071516730 0.99897947566999 22.990 3 Na 0.75933708079239 0.19535627185811 0.45735427896332 22.990 4 Na 0.52542029387603 0.26385168190287 0.08213290379946 22.990 5 Na 0.36727212925332 0.08780969900828 0.88913080550303 22.990 6 Na 0.47457970612397 0.76385168190287 0.41786709620054 22.990 7 Na 0.24370920869612 0.17106608973810 0.49415286405929 22.990 8 Na 0.47457970612397 0.73614831809713 0.91786709620054 22.990 9 Na 0.01355243185248 0.25294928483270 0.49897947566999 22.990 10 Na 0.63272787074668 0.58780969900828 0.61086919449697 22.990 11 Na 0.98644756814752 0.74705071516730 0.50102052433001 22.990 12 Na 0.98644756814752 0.75294928483270 0.00102052433001 22.990 13 Na 0.52542029387603 0.23614831809713 0.58213290379946 22.990 14 Na 0.24066291920762 0.80464372814189 0.54264572103668 22.990 15 Na 0.19499198752898 0.98566803746662 0.08330823620009 22.990 16 Na 0.36727212925332 0.41219030099172 0.38913080550303 22.990 17 Na 0.75629079130388 0.67106608973810 0.00584713594071 22.990 18 Na 0.63272787074668 0.91219030099172 0.11086919449697 22.990 19 Na 0.24066291920762 0.69535627185811 0.04264572103668 22.990 20 Na 0.75629079130388 0.82893391026190 0.50584713594071 22.990 21 Na 0.19499198752898 0.51433196253338 0.58330823620009 22.990 22 Na 0.75933708079239 0.30464372814189 0.95735427896332 22.990 23 Na 0.80500801247103 0.48566803746662 0.41669176379991 22.990 24 Na 0.24370920869612 0.32893391026190 0.99415286405929 22.990 25 Al 0.07363703959371 0.99408093265941 0.67474997430949 26.982 26 Al 0.56492892986448 0.97823840031416 0.68109845642648 26.982 27 Al 0.43507107013552 0.47823840031416 0.81890154357352 26.982 28 Al 0.56492892986448 0.52176159968584 0.18109845642648 26.982 29 Al 0.92636296040629 0.49408093265941 0.82525002569051 26.982 30 Al 0.07363703959371 0.50591906734059 0.17474997430949 26.982 31 Al 0.43507107013552 0.02176159968584 0.31890154357352 26.982 32 Al 0.92636296040629 0.00591906734059 0.32525002569051 26.982 33 S 0.85122976044760 0.64290360457208 0.69291102705870 32.065 34 S 0.12257470911540 0.83333845413360 0.80273155264202 32.065 35 S 0.38846736709935 0.60976597463085 0.61712617459420 32.065 36 S 0.85122976044760 0.85709639542792 0.19291102705870 32.065 37 S 0.09748542248724 0.99356618993449 0.38114680372046 32.065 38 S 0.14877023955240 0.35709639542792 0.30708897294130 32.065 39 S 0.36961580677551 0.18529558930814 0.23682797012753 32.065 40 S 0.38846736709935 0.89023402536915 0.11712617459420 32.065 41 S 0.63038419322449 0.68529558930814 0.26317202987247 32.065 42 S 0.90251457751276 0.49356618993449 0.11885319627955 32.065 43 S 0.87742529088460 0.33333845413360 0.69726844735798 32.065 44 S 0.14877023955240 0.14290360457208 0.80708897294130 32.065 45 S 0.63038419322449 0.81470441069186 0.76317202987247 32.065 46 S 0.39495149488511 0.96653458306556 0.58816084266371 32.065 47 S 0.61153263290065 0.39023402536915 0.38287382540580 32.065 48 S 0.09748542248724 0.50643381006551 0.88114680372045 32.065 49 S 0.36961580677551 0.31470441069186 0.73682797012753 32.065 50 S 0.61153263290065 0.10976597463085 0.88287382540580 32.065 51 S 0.60504850511489 0.03346541693444 0.41183915733629 32.065 52 S 0.90251457751276 0.00643381006551 0.61885319627955 32.065 53 S 0.87742529088460 0.16666154586640 0.19726844735798 32.065 54 S 0.60504850511489 0.46653458306556 0.91183915733629 32.065 55 S 0.12257470911540 0.66666154586640 0.30273155264202 32.065 56 S 0.39495149488511 0.53346541693444 0.08816084266371 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.577463300466489 0.000000000000000 0.000000000000000 b 0.000000000000000 12.012864989999999 0.000000000000000 c -2.441421028826020 0.000000000000000 15.001107418606328 Atomic positions (fractional): 1 Na 0.80500801247103 0.01433196253338 0.45834588189996 22.990 > 1 2 Na 0.80500801247103 0.01433196253338 0.95834588189996 22.990 > 1 3 Na 0.01355243185248 0.24705071516730 0.49948973783500 22.990 > 3 4 Na 0.01355243185248 0.24705071516730 0.99948973783500 22.990 > 3 5 Na 0.75933708079239 0.19535627185811 0.22867713948166 22.990 > 5 6 Na 0.75933708079239 0.19535627185811 0.72867713948166 22.990 > 5 7 Na 0.52542029387603 0.26385168190287 0.04106645189973 22.990 > 7 8 Na 0.52542029387603 0.26385168190287 0.54106645189973 22.990 > 7 9 Na 0.36727212925332 0.08780969900828 0.44456540275152 22.990 > 9 10 Na 0.36727212925332 0.08780969900828 0.94456540275152 22.990 > 9 11 Na 0.47457970612397 0.76385168190287 0.20893354810027 22.990 > 11 12 Na 0.47457970612397 0.76385168190287 0.70893354810027 22.990 > 11 13 Na 0.24370920869612 0.17106608973810 0.24707643202965 22.990 > 13 14 Na 0.24370920869612 0.17106608973810 0.74707643202965 22.990 > 13 15 Na 0.47457970612397 0.73614831809713 0.45893354810027 22.990 > 15 16 Na 0.47457970612397 0.73614831809713 0.95893354810027 22.990 > 15 17 Na 0.01355243185248 0.25294928483270 0.24948973783500 22.990 > 17 18 Na 0.01355243185248 0.25294928483270 0.74948973783500 22.990 > 17 19 Na 0.63272787074668 0.58780969900828 0.30543459724848 22.990 > 19 20 Na 0.63272787074668 0.58780969900828 0.80543459724848 22.990 > 19 21 Na 0.98644756814752 0.74705071516730 0.25051026216500 22.990 > 21 22 Na 0.98644756814752 0.74705071516730 0.75051026216500 22.990 > 21 23 Na 0.98644756814752 0.75294928483270 0.00051026216500 22.990 > 23 24 Na 0.98644756814752 0.75294928483270 0.50051026216500 22.990 > 23 25 Na 0.52542029387603 0.23614831809713 0.29106645189973 22.990 > 25 26 Na 0.52542029387603 0.23614831809713 0.79106645189973 22.990 > 25 27 Na 0.24066291920762 0.80464372814189 0.27132286051834 22.990 > 27 28 Na 0.24066291920762 0.80464372814189 0.77132286051834 22.990 > 27 29 Na 0.19499198752898 0.98566803746662 0.04165411810004 22.990 > 29 30 Na 0.19499198752898 0.98566803746662 0.54165411810004 22.990 > 29 31 Na 0.36727212925332 0.41219030099172 0.19456540275152 22.990 > 31 32 Na 0.36727212925332 0.41219030099172 0.69456540275152 22.990 > 31 33 Na 0.75629079130388 0.67106608973810 0.00292356797035 22.990 > 33 34 Na 0.75629079130388 0.67106608973810 0.50292356797035 22.990 > 33 35 Na 0.63272787074668 0.91219030099172 0.05543459724848 22.990 > 35 36 Na 0.63272787074668 0.91219030099172 0.55543459724848 22.990 > 35 37 Na 0.24066291920762 0.69535627185811 0.02132286051834 22.990 > 37 38 Na 0.24066291920762 0.69535627185811 0.52132286051834 22.990 > 37 39 Na 0.75629079130388 0.82893391026190 0.25292356797035 22.990 > 39 40 Na 0.75629079130388 0.82893391026190 0.75292356797035 22.990 > 39 41 Na 0.19499198752898 0.51433196253338 0.29165411810004 22.990 > 41 42 Na 0.19499198752898 0.51433196253338 0.79165411810004 22.990 > 41 43 Na 0.75933708079239 0.30464372814189 0.47867713948166 22.990 > 43 44 Na 0.75933708079239 0.30464372814189 0.97867713948166 22.990 > 43 45 Na 0.80500801247103 0.48566803746662 0.20834588189996 22.990 > 45 46 Na 0.80500801247103 0.48566803746662 0.70834588189996 22.990 > 45 47 Na 0.24370920869612 0.32893391026190 0.49707643202965 22.990 > 47 48 Na 0.24370920869612 0.32893391026190 0.99707643202965 22.990 > 47 49 Al 0.07363703959371 0.99408093265941 0.33737498715474 26.982 > 49 50 Al 0.07363703959371 0.99408093265941 0.83737498715474 26.982 > 49 51 Al 0.56492892986448 0.97823840031416 0.34054922821324 26.982 > 51 52 Al 0.56492892986448 0.97823840031416 0.84054922821324 26.982 > 51 53 Al 0.43507107013552 0.47823840031416 0.40945077178676 26.982 > 53 54 Al 0.43507107013552 0.47823840031416 0.90945077178676 26.982 > 53 55 Al 0.56492892986448 0.52176159968584 0.09054922821324 26.982 > 55 56 Al 0.56492892986448 0.52176159968584 0.59054922821324 26.982 > 55 57 Al 0.92636296040629 0.49408093265941 0.41262501284526 26.982 > 57 58 Al 0.92636296040629 0.49408093265941 0.91262501284526 26.982 > 57 59 Al 0.07363703959371 0.50591906734059 0.08737498715474 26.982 > 59 60 Al 0.07363703959371 0.50591906734059 0.58737498715474 26.982 > 59 61 Al 0.43507107013552 0.02176159968584 0.15945077178676 26.982 > 61 62 Al 0.43507107013552 0.02176159968584 0.65945077178676 26.982 > 61 63 Al 0.92636296040629 0.00591906734059 0.16262501284526 26.982 > 63 64 Al 0.92636296040629 0.00591906734059 0.66262501284526 26.982 > 63 65 S 0.85122976044760 0.64290360457208 0.34645551352935 32.065 > 65 66 S 0.85122976044760 0.64290360457208 0.84645551352935 32.065 > 65 67 S 0.12257470911540 0.83333845413360 0.40136577632101 32.065 > 67 68 S 0.12257470911540 0.83333845413360 0.90136577632101 32.065 > 67 69 S 0.38846736709935 0.60976597463085 0.30856308729710 32.065 > 69 70 S 0.38846736709935 0.60976597463085 0.80856308729710 32.065 > 69 71 S 0.85122976044760 0.85709639542792 0.09645551352935 32.065 > 71 72 S 0.85122976044760 0.85709639542792 0.59645551352935 32.065 > 71 73 S 0.09748542248724 0.99356618993449 0.19057340186023 32.065 > 73 74 S 0.09748542248724 0.99356618993449 0.69057340186023 32.065 > 73 75 S 0.14877023955240 0.35709639542792 0.15354448647065 32.065 > 75 76 S 0.14877023955240 0.35709639542792 0.65354448647065 32.065 > 75 77 S 0.36961580677551 0.18529558930814 0.11841398506377 32.065 > 77 78 S 0.36961580677551 0.18529558930814 0.61841398506377 32.065 > 77 79 S 0.38846736709935 0.89023402536915 0.05856308729710 32.065 > 79 80 S 0.38846736709935 0.89023402536915 0.55856308729710 32.065 > 79 81 S 0.63038419322449 0.68529558930814 0.13158601493623 32.065 > 81 82 S 0.63038419322449 0.68529558930814 0.63158601493623 32.065 > 81 83 S 0.90251457751276 0.49356618993449 0.05942659813977 32.065 > 83 84 S 0.90251457751276 0.49356618993449 0.55942659813977 32.065 > 83 85 S 0.87742529088460 0.33333845413360 0.34863422367899 32.065 > 85 86 S 0.87742529088460 0.33333845413360 0.84863422367899 32.065 > 85 87 S 0.14877023955240 0.14290360457208 0.40354448647065 32.065 > 87 88 S 0.14877023955240 0.14290360457208 0.90354448647065 32.065 > 87 89 S 0.63038419322449 0.81470441069186 0.38158601493623 32.065 > 89 90 S 0.63038419322449 0.81470441069186 0.88158601493623 32.065 > 89 91 S 0.39495149488511 0.96653458306556 0.29408042133185 32.065 > 91 92 S 0.39495149488511 0.96653458306556 0.79408042133185 32.065 > 91 93 S 0.61153263290065 0.39023402536915 0.19143691270290 32.065 > 93 94 S 0.61153263290065 0.39023402536915 0.69143691270290 32.065 > 93 95 S 0.09748542248724 0.50643381006551 0.44057340186023 32.065 > 95 96 S 0.09748542248724 0.50643381006551 0.94057340186023 32.065 > 95 97 S 0.36961580677551 0.31470441069186 0.36841398506377 32.065 > 97 98 S 0.36961580677551 0.31470441069186 0.86841398506377 32.065 > 97 99 S 0.61153263290065 0.10976597463085 0.44143691270290 32.065 > 99 100 S 0.61153263290065 0.10976597463085 0.94143691270290 32.065 > 99 101 S 0.60504850511489 0.03346541693444 0.20591957866815 32.065 > 101 102 S 0.60504850511489 0.03346541693444 0.70591957866815 32.065 > 101 103 S 0.90251457751276 0.00643381006551 0.30942659813977 32.065 > 103 104 S 0.90251457751276 0.00643381006551 0.80942659813977 32.065 > 103 105 S 0.87742529088460 0.16666154586640 0.09863422367899 32.065 > 105 106 S 0.87742529088460 0.16666154586640 0.59863422367899 32.065 > 105 107 S 0.60504850511489 0.46653458306556 0.45591957866815 32.065 > 107 108 S 0.60504850511489 0.46653458306556 0.95591957866815 32.065 > 107 109 S 0.12257470911540 0.66666154586640 0.15136577632101 32.065 > 109 110 S 0.12257470911540 0.66666154586640 0.65136577632101 32.065 > 109 111 S 0.39495149488511 0.53346541693444 0.04408042133185 32.065 > 111 112 S 0.39495149488511 0.53346541693444 0.54408042133185 32.065 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.7940215 0.0000000 0.1516142 0.0000000 3.9130293 0.0000000 0.1516090 0.0000000 3.8656877 -------------------------- Born effective charges -------------------------- 1 Na 1.1740787 0.0328224 -0.0013045 0.0570663 0.9186707 0.0174090 0.0488756 0.0325256 1.2469233 2 Na 0.9700765 -0.0216025 -0.0250975 -0.0134264 1.1844874 -0.0119658 -0.0944796 0.0231143 1.1248189 3 Na 1.3460283 -0.0452201 0.0775024 -0.0496865 1.2744189 0.1257730 0.0958018 0.0424078 0.9644628 4 Na 0.8443413 0.0235265 -0.0257343 0.0174794 1.2656060 -0.0258793 -0.0716429 -0.0073235 1.1212847 5 Na 1.1335973 -0.0669735 -0.0880666 -0.0182354 1.0631453 -0.1043843 -0.0494668 -0.0290001 1.1805290 6 Na 0.8443413 -0.0235265 -0.0257343 -0.0174794 1.2656060 0.0258793 -0.0716429 0.0073235 1.1212847 7 Na 1.2938948 0.0392726 0.0045577 0.0479055 1.1785715 -0.0045938 -0.0104999 -0.0698153 1.0462740 8 Na 0.8443413 0.0235265 -0.0257343 0.0174794 1.2656060 -0.0258793 -0.0716429 -0.0073235 1.1212847 9 Na 0.9700765 0.0216025 -0.0250975 0.0134264 1.1844874 0.0119658 -0.0944796 -0.0231143 1.1248189 10 Na 1.1335973 0.0669735 -0.0880666 0.0182354 1.0631453 0.1043843 -0.0494668 0.0290001 1.1805290 11 Na 0.9700765 0.0216025 -0.0250975 0.0134264 1.1844874 0.0119658 -0.0944796 -0.0231143 1.1248189 12 Na 0.9700765 -0.0216025 -0.0250975 -0.0134264 1.1844874 -0.0119658 -0.0944796 0.0231143 1.1248189 13 Na 0.8443413 -0.0235265 -0.0257343 -0.0174794 1.2656060 0.0258793 -0.0716429 0.0073235 1.1212847 14 Na 1.3460283 -0.0452201 0.0775024 -0.0496865 1.2744189 0.1257730 0.0958018 0.0424078 0.9644628 15 Na 1.1740787 0.0328224 -0.0013045 0.0570663 0.9186707 0.0174090 0.0488756 0.0325256 1.2469233 16 Na 1.1335973 0.0669735 -0.0880666 0.0182354 1.0631453 0.1043843 -0.0494668 0.0290001 1.1805290 17 Na 1.2938948 -0.0392726 0.0045577 -0.0479055 1.1785715 0.0045938 -0.0104999 0.0698153 1.0462740 18 Na 1.1335973 -0.0669735 -0.0880666 -0.0182354 1.0631453 -0.1043843 -0.0494668 -0.0290001 1.1805290 19 Na 1.3460283 0.0452201 0.0775024 0.0496865 1.2744189 -0.1257730 0.0958018 -0.0424078 0.9644628 20 Na 1.2938948 0.0392726 0.0045577 0.0479055 1.1785715 -0.0045938 -0.0104999 -0.0698153 1.0462740 21 Na 1.1740787 -0.0328224 -0.0013045 -0.0570663 0.9186707 -0.0174090 0.0488756 -0.0325256 1.2469233 22 Na 1.3460283 0.0452201 0.0775024 0.0496865 1.2744189 -0.1257730 0.0958018 -0.0424078 0.9644628 23 Na 1.1740787 -0.0328224 -0.0013045 -0.0570663 0.9186707 -0.0174090 0.0488756 -0.0325256 1.2469233 24 Na 1.2938948 -0.0392726 0.0045577 -0.0479055 1.1785715 0.0045938 -0.0104999 0.0698153 1.0462740 25 Al 1.8418676 0.0961511 0.5803758 0.0702380 2.2701166 -0.0154261 0.5651473 -0.0503729 2.1996848 26 Al 1.5820760 -0.1701390 0.4332008 -0.2247464 2.2273069 0.0176872 0.4122424 -0.0281064 2.4342574 27 Al 1.5820760 0.1701390 0.4332008 0.2247464 2.2273069 -0.0176872 0.4122424 0.0281064 2.4342574 28 Al 1.5820760 0.1701390 0.4332008 0.2247464 2.2273069 -0.0176872 0.4122424 0.0281064 2.4342574 29 Al 1.8418676 -0.0961511 0.5803758 -0.0702380 2.2701166 0.0154261 0.5651473 0.0503729 2.1996848 30 Al 1.8418676 -0.0961511 0.5803758 -0.0702380 2.2701166 0.0154261 0.5651473 0.0503729 2.1996848 31 Al 1.5820760 -0.1701390 0.4332008 -0.2247464 2.2273069 0.0176872 0.4122424 -0.0281064 2.4342574 32 Al 1.8418676 0.0961511 0.5803758 0.0702380 2.2701166 -0.0154261 0.5651473 -0.0503729 2.1996848 33 S -1.6365698 0.2951276 -0.2874313 0.3137491 -2.1179584 0.3634733 -0.3017674 0.4205228 -1.7723986 34 S -1.4229836 0.1862481 -0.2220059 0.1674629 -2.1909653 0.3913710 -0.2086500 0.4421157 -1.8013671 35 S -1.4733342 0.0595867 -0.1061446 0.0220554 -2.0733512 0.4226124 -0.1475757 0.5136423 -1.9700890 36 S -1.6365698 -0.2951276 -0.2874313 -0.3137491 -2.1179584 -0.3634733 -0.3017674 -0.4205228 -1.7723986 37 S -2.1904778 0.0236403 -0.0510052 0.0308441 -1.2560703 0.0078664 -0.0101556 0.0147318 -2.0495169 38 S -1.6365698 0.2951276 -0.2874313 0.3137491 -2.1179584 0.3634733 -0.3017674 0.4205228 -1.7723986 39 S -1.4582208 0.3283915 -0.1683565 0.3085113 -2.3664360 0.1812087 -0.1531914 0.3164992 -1.7248618 40 S -1.4733342 -0.0595867 -0.1061446 -0.0220554 -2.0733512 -0.4226124 -0.1475757 -0.5136423 -1.9700890 41 S -1.4582208 -0.3283915 -0.1683565 -0.3085113 -2.3664360 -0.1812087 -0.1531914 -0.3164992 -1.7248618 42 S -2.1904778 -0.0236403 -0.0510052 -0.0308441 -1.2560703 -0.0078664 -0.0101556 -0.0147318 -2.0495169 43 S -1.4229836 -0.1862481 -0.2220059 -0.1674629 -2.1909653 -0.3913710 -0.2086500 -0.4421157 -1.8013671 44 S -1.6365698 -0.2951276 -0.2874313 -0.3137491 -2.1179584 -0.3634733 -0.3017674 -0.4205228 -1.7723986 45 S -1.4582208 0.3283915 -0.1683565 0.3085113 -2.3664360 0.1812087 -0.1531914 0.3164992 -1.7248618 46 S -2.0043741 -0.0744171 -0.1204904 -0.0015904 -1.3775421 0.1483454 -0.0746378 0.1611877 -2.0000016 47 S -1.4733342 0.0595867 -0.1061446 0.0220554 -2.0733512 0.4226124 -0.1475757 0.5136423 -1.9700890 48 S -2.1904778 -0.0236403 -0.0510052 -0.0308441 -1.2560703 -0.0078664 -0.0101556 -0.0147318 -2.0495169 49 S -1.4582208 -0.3283915 -0.1683565 -0.3085113 -2.3664360 -0.1812087 -0.1531914 -0.3164992 -1.7248618 50 S -1.4733342 -0.0595867 -0.1061446 -0.0220554 -2.0733512 -0.4226124 -0.1475757 -0.5136423 -1.9700890 51 S -2.0043741 -0.0744171 -0.1204904 -0.0015904 -1.3775421 0.1483454 -0.0746378 0.1611877 -2.0000016 52 S -2.1904778 0.0236403 -0.0510052 0.0308441 -1.2560703 0.0078664 -0.0101556 0.0147318 -2.0495169 53 S -1.4229836 0.1862481 -0.2220059 0.1674629 -2.1909653 0.3913710 -0.2086500 0.4421157 -1.8013671 54 S -2.0043741 0.0744171 -0.1204904 0.0015904 -1.3775421 -0.1483454 -0.0746378 -0.1611877 -2.0000016 55 S -1.4229836 -0.1862481 -0.2220059 -0.1674629 -2.1909653 -0.3913710 -0.2086500 -0.4421157 -1.8013671 56 S -2.0043741 0.0744171 -0.1204904 0.0015904 -1.3775421 -0.1483454 -0.0746378 -0.1611877 -2.0000016 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 4 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.39, Number of G-points: 303, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/45) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 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 1.120 ( 0.000 0.000 0.000) 0.000 1.377 ( 0.000 0.000 0.000) 0.000 1.415 ( 0.000 0.000 0.000) 0.000 1.572 ( 0.000 0.000 0.000) 0.000 1.609 ( 0.000 0.000 0.000) 0.000 1.745 ( 0.000 0.000 0.000) 0.000 1.861 ( 0.000 0.000 0.000) 0.000 1.864 ( 0.000 0.000 0.000) 0.000 1.868 ( 0.000 0.000 0.000) 0.000 1.910 ( 0.000 0.000 0.000) 0.000 2.079 ( 0.000 0.000 0.000) 0.000 2.107 ( 0.000 0.000 0.000) 0.000 2.149 ( 0.000 0.000 0.000) 0.000 2.213 ( 0.000 0.000 0.000) 0.000 2.285 ( 0.000 0.000 0.000) 0.000 2.457 ( 0.000 0.000 0.000) 0.000 2.469 ( 0.000 0.000 0.000) 0.000 2.492 ( 0.000 0.000 0.000) 0.000 2.515 ( 0.000 0.000 0.000) 0.000 2.523 ( 0.000 0.000 0.000) 0.000 2.555 ( 0.000 0.000 0.000) 0.000 2.676 ( 0.000 0.000 0.000) 0.000 2.721 ( 0.000 0.000 0.000) 0.000 2.757 ( 0.000 0.000 0.000) 0.000 2.803 ( 0.000 0.000 0.000) 0.000 2.829 ( 0.000 0.000 0.000) 0.000 2.864 ( 0.000 0.000 0.000) 0.000 2.866 ( 0.000 0.000 0.000) 0.000 2.917 ( 0.000 0.000 0.000) 0.000 3.003 ( 0.000 0.000 0.000) 0.000 3.051 ( 0.000 0.000 0.000) 0.000 3.105 ( 0.000 0.000 0.000) 0.000 3.154 ( 0.000 0.000 0.000) 0.000 3.189 ( 0.000 0.000 0.000) 0.000 3.294 ( 0.000 0.000 0.000) 0.000 3.308 ( 0.000 0.000 0.000) 0.000 3.405 ( 0.000 0.000 0.000) 0.000 3.426 ( 0.000 0.000 0.000) 0.000 3.431 ( 0.000 0.000 0.000) 0.000 3.481 ( 0.000 0.000 0.000) 0.000 3.489 ( 0.000 0.000 0.000) 0.000 3.519 ( 0.000 0.000 0.000) 0.000 3.543 ( 0.000 0.000 0.000) 0.000 3.578 ( 0.000 0.000 0.000) 0.000 3.621 ( 0.000 0.000 0.000) 0.000 3.624 ( 0.000 0.000 0.000) 0.000 3.665 ( 0.000 0.000 0.000) 0.000 3.666 ( 0.000 0.000 0.000) 0.000 3.695 ( 0.000 0.000 0.000) 0.000 3.792 ( 0.000 0.000 0.000) 0.000 3.809 ( 0.000 0.000 0.000) 0.000 3.854 ( 0.000 0.000 0.000) 0.000 4.039 ( 0.000 0.000 0.000) 0.000 4.057 ( 0.000 0.000 0.000) 0.000 4.058 ( 0.000 0.000 0.000) 0.000 4.060 ( 0.000 0.000 0.000) 0.000 4.068 ( 0.000 0.000 0.000) 0.000 4.097 ( 0.000 0.000 0.000) 0.000 4.118 ( 0.000 0.000 0.000) 0.000 4.210 ( 0.000 0.000 0.000) 0.000 4.212 ( 0.000 0.000 0.000) 0.000 4.252 ( 0.000 0.000 0.000) 0.000 4.311 ( 0.000 0.000 0.000) 0.000 4.334 ( 0.000 0.000 0.000) 0.000 4.361 ( 0.000 0.000 0.000) 0.000 4.409 ( 0.000 0.000 0.000) 0.000 4.410 ( 0.000 0.000 0.000) 0.000 4.461 ( 0.000 0.000 0.000) 0.000 4.475 ( 0.000 0.000 0.000) 0.000 4.488 ( 0.000 0.000 0.000) 0.000 4.512 ( 0.000 0.000 0.000) 0.000 4.701 ( 0.000 0.000 0.000) 0.000 4.712 ( 0.000 0.000 0.000) 0.000 4.730 ( 0.000 0.000 0.000) 0.000 4.748 ( 0.000 0.000 0.000) 0.000 4.847 ( 0.000 0.000 0.000) 0.000 4.879 ( 0.000 0.000 0.000) 0.000 4.896 ( 0.000 0.000 0.000) 0.000 4.952 ( 0.000 0.000 0.000) 0.000 5.012 ( 0.000 0.000 0.000) 0.000 5.052 ( 0.000 0.000 0.000) 0.000 5.059 ( 0.000 0.000 0.000) 0.000 5.094 ( 0.000 0.000 0.000) 0.000 5.216 ( 0.000 0.000 0.000) 0.000 5.228 ( 0.000 0.000 0.000) 0.000 5.280 ( 0.000 0.000 0.000) 0.000 5.322 ( 0.000 0.000 0.000) 0.000 5.407 ( 0.000 0.000 0.000) 0.000 5.455 ( 0.000 0.000 0.000) 0.000 5.456 ( 0.000 0.000 0.000) 0.000 5.457 ( 0.000 0.000 0.000) 0.000 5.489 ( 0.000 0.000 0.000) 0.000 5.532 ( 0.000 0.000 0.000) 0.000 5.563 ( 0.000 0.000 0.000) 0.000 5.569 ( 0.000 0.000 0.000) 0.000 5.722 ( 0.000 0.000 0.000) 0.000 5.725 ( 0.000 0.000 0.000) 0.000 5.769 ( 0.000 0.000 0.000) 0.000 5.789 ( 0.000 0.000 0.000) 0.000 5.857 ( 0.000 0.000 0.000) 0.000 5.915 ( 0.000 0.000 0.000) 0.000 5.962 ( 0.000 0.000 0.000) 0.000 5.978 ( 0.000 0.000 0.000) 0.000 6.002 ( 0.000 0.000 0.000) 0.000 6.046 ( 0.000 0.000 0.000) 0.000 6.062 ( 0.000 0.000 0.000) 0.000 6.089 ( 0.000 0.000 0.000) 0.000 6.117 ( 0.000 0.000 0.000) 0.000 6.199 ( 0.000 0.000 0.000) 0.000 6.233 ( 0.000 0.000 0.000) 0.000 6.267 ( 0.000 0.000 0.000) 0.000 6.338 ( 0.000 0.000 0.000) 0.000 6.424 ( 0.000 0.000 0.000) 0.000 6.465 ( 0.000 0.000 0.000) 0.000 6.519 ( 0.000 0.000 0.000) 0.000 6.626 ( 0.000 0.000 0.000) 0.000 6.655 ( 0.000 0.000 0.000) 0.000 6.726 ( 0.000 0.000 0.000) 0.000 6.730 ( 0.000 0.000 0.000) 0.000 6.786 ( 0.000 0.000 0.000) 0.000 6.839 ( 0.000 0.000 0.000) 0.000 6.864 ( 0.000 0.000 0.000) 0.000 6.985 ( 0.000 0.000 0.000) 0.000 7.038 ( 0.000 0.000 0.000) 0.000 7.056 ( 0.000 0.000 0.000) 0.000 7.085 ( 0.000 0.000 0.000) 0.000 7.250 ( 0.000 0.000 0.000) 0.000 7.262 ( 0.000 0.000 0.000) 0.000 7.303 ( 0.000 0.000 0.000) 0.000 7.436 ( 0.000 0.000 0.000) 0.000 7.490 ( 0.000 0.000 0.000) 0.000 7.595 ( 0.000 0.000 0.000) 0.000 7.646 ( 0.000 0.000 0.000) 0.000 9.684 ( 0.000 0.000 0.000) 0.000 9.706 ( 0.000 0.000 0.000) 0.000 9.794 ( 0.000 0.000 0.000) 0.000 9.801 ( 0.000 0.000 0.000) 0.000 9.947 ( 0.000 0.000 0.000) 0.000 10.014 ( 0.000 0.000 0.000) 0.000 10.034 ( 0.000 0.000 0.000) 0.000 10.057 ( 0.000 0.000 0.000) 0.000 10.498 ( 0.000 0.000 0.000) 0.000 10.541 ( 0.000 0.000 0.000) 0.000 10.572 ( 0.000 0.000 0.000) 0.000 10.573 ( 0.000 0.000 0.000) 0.000 12.324 ( 0.000 0.000 0.000) 0.000 12.489 ( 0.000 0.000 0.000) 0.000 12.611 ( 0.000 0.000 0.000) 0.000 12.693 ( 0.000 0.000 0.000) 0.000 12.864 ( 0.000 0.000 0.000) 0.000 12.871 ( 0.000 0.000 0.000) 0.000 13.034 ( 0.000 0.000 0.000) 0.000 13.828 ( 0.000 0.000 0.000) 0.000 13.868 ( 0.000 0.000 0.000) 0.000 13.958 ( 0.000 0.000 0.000) 0.000 14.091 ( 0.000 0.000 0.000) 0.000 14.252 ( 0.000 0.000 0.000) 0.000 14.313 ( 0.000 0.000 0.000) 0.000 14.347 ( 0.000 0.000 0.000) 0.000 14.357 ( 0.000 0.000 0.000) 0.000 14.398 ( 0.000 0.000 0.000) 0.000 14.562 ( 0.000 0.000 0.000) 0.000 14.731 ( 0.000 0.000 0.000) 0.000 15.005 ( 0.000 0.000 0.000) 0.000 15.378 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/45) ======================= q-point: ( 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.451 ( 22.968 0.000 6.662) 23.914 0.512 ( 24.293 0.000 15.314) 28.717 0.824 ( 41.392 0.000 3.531) 41.542 1.179 ( 4.685 0.000 4.598) 6.564 1.231 ( -15.450 0.000 -4.393) 16.062 1.295 ( -7.963 0.000 -6.828) 10.490 1.551 ( 0.309 0.000 4.137) 4.149 1.630 ( -11.425 0.000 4.676) 12.345 1.725 ( 2.510 0.000 -2.427) 3.491 1.812 ( -0.434 0.000 -0.043) 0.436 1.838 ( -1.316 0.000 4.121) 4.326 1.923 ( 1.395 0.000 -0.754) 1.586 1.953 ( 4.752 0.000 0.481) 4.777 2.127 ( -5.873 0.000 -4.180) 7.209 2.181 ( 5.357 0.000 -2.860) 6.073 2.209 ( -1.756 0.000 0.832) 1.943 2.248 ( 2.061 0.000 3.140) 3.756 2.286 ( 0.886 0.000 -6.540) 6.600 2.340 ( -6.461 0.000 -1.704) 6.682 2.422 ( -3.365 0.000 0.006) 3.365 2.446 ( -3.893 0.000 3.232) 5.060 2.529 ( 0.020 0.000 1.916) 1.916 2.534 ( -3.094 0.000 0.145) 3.097 2.606 ( -7.523 0.000 -1.593) 7.690 2.607 ( 1.804 0.000 -0.104) 1.807 2.661 ( -4.131 0.000 -6.380) 7.601 2.726 ( -2.184 0.000 -0.797) 2.325 2.743 ( -1.265 0.000 -2.173) 2.514 2.788 ( -3.899 0.000 0.668) 3.956 2.813 ( -0.648 0.000 0.651) 0.919 2.962 ( 4.551 0.000 1.011) 4.662 2.994 ( -3.372 0.000 1.996) 3.919 3.042 ( 0.673 0.000 0.136) 0.687 3.055 ( 3.235 0.000 0.341) 3.253 3.108 ( -1.381 0.000 3.799) 4.042 3.216 ( 1.755 0.000 -5.716) 5.979 3.217 ( -0.888 0.000 3.764) 3.867 3.340 ( 2.248 0.000 7.353) 7.689 3.341 ( 1.447 0.000 3.318) 3.620 3.366 ( -3.256 0.000 -1.422) 3.553 3.449 ( 2.734 0.000 -8.815) 9.229 3.454 ( -0.475 0.000 -4.231) 4.258 3.459 ( 0.535 0.000 -0.080) 0.541 3.486 ( 3.186 0.000 4.240) 5.304 3.557 ( 3.147 0.000 -3.241) 4.518 3.580 ( -1.027 0.000 1.485) 1.805 3.591 ( 0.772 0.000 0.497) 0.918 3.634 ( 0.677 0.000 -1.889) 2.007 3.687 ( 1.695 0.000 6.752) 6.962 3.692 ( -1.514 0.000 3.939) 4.220 3.731 ( 3.317 0.000 0.593) 3.370 3.790 ( 3.552 0.000 -0.751) 3.631 3.814 ( 1.694 0.000 2.081) 2.683 3.841 ( 4.920 0.000 0.221) 4.925 3.856 ( -1.160 0.000 5.046) 5.178 3.930 ( -6.232 0.000 -1.683) 6.455 4.003 ( -3.218 0.000 2.768) 4.245 4.021 ( -3.247 0.000 -1.990) 3.808 4.048 ( -1.884 0.000 3.837) 4.275 4.099 ( -4.201 0.000 -2.432) 4.854 4.148 ( 0.955 0.000 -1.342) 1.647 4.199 ( 1.681 0.000 -3.646) 4.015 4.208 ( 2.390 0.000 0.914) 2.559 4.229 ( 4.250 0.000 -1.059) 4.380 4.239 ( -2.487 0.000 5.118) 5.690 4.267 ( -4.202 0.000 -4.362) 6.057 4.297 ( -0.468 0.000 -0.208) 0.512 4.377 ( -1.702 0.000 6.016) 6.252 4.381 ( 1.150 0.000 1.977) 2.287 4.484 ( 2.821 0.000 -3.329) 4.363 4.504 ( 1.792 0.000 -5.311) 5.605 4.508 ( 0.236 0.000 2.245) 2.258 4.533 ( 3.735 0.000 -0.750) 3.809 4.562 ( 0.993 0.000 4.563) 4.670 4.650 ( -4.092 0.000 -1.473) 4.349 4.686 ( -0.132 0.000 -0.157) 0.205 4.743 ( -2.689 0.000 2.951) 3.992 4.755 ( 0.445 0.000 -0.418) 0.611 4.844 ( 1.362 0.000 -6.358) 6.502 4.866 ( 1.343 0.000 -3.584) 3.828 4.921 ( -1.545 0.000 5.374) 5.592 4.939 ( -1.243 0.000 -0.147) 1.251 5.022 ( -5.423 0.000 0.469) 5.443 5.038 ( 0.694 0.000 2.767) 2.853 5.058 ( 3.307 0.000 1.383) 3.585 5.135 ( 5.255 0.000 -3.307) 6.209 5.190 ( -3.525 0.000 -0.347) 3.542 5.208 ( -2.273 0.000 -0.079) 2.275 5.293 ( -0.107 0.000 -1.717) 1.720 5.323 ( 4.218 0.000 0.844) 4.301 5.433 ( -3.869 0.000 4.104) 5.640 5.446 ( 3.317 0.000 2.627) 4.231 5.473 ( -2.262 0.000 -1.937) 2.978 5.488 ( -0.293 0.000 -0.165) 0.336 5.502 ( 1.001 0.000 6.985) 7.057 5.582 ( 4.114 0.000 -3.886) 5.659 5.600 ( 0.982 0.000 -8.196) 8.255 5.655 ( 5.763 0.000 0.036) 5.763 5.700 ( 2.285 0.000 -8.582) 8.881 5.777 ( -1.856 0.000 2.212) 2.888 5.796 ( 0.923 0.000 3.245) 3.374 5.845 ( 0.078 0.000 -3.539) 3.539 5.902 ( -6.267 0.000 4.990) 8.011 5.921 ( -0.862 0.000 0.920) 1.260 5.961 ( -1.168 0.000 -2.306) 2.585 5.981 ( -0.223 0.000 -1.170) 1.191 6.044 ( -1.523 0.000 0.073) 1.525 6.071 ( 0.206 0.000 -0.591) 0.626 6.076 ( 0.380 0.000 1.047) 1.114 6.108 ( -1.398 0.000 10.721) 10.811 6.134 ( 2.139 0.000 -3.641) 4.223 6.213 ( 0.256 0.000 2.465) 2.478 6.232 ( -1.488 0.000 1.928) 2.435 6.302 ( -9.362 0.000 6.161) 11.208 6.336 ( 0.064 0.000 3.517) 3.518 6.410 ( -1.313 0.000 -0.243) 1.335 6.507 ( -1.138 0.000 0.887) 1.443 6.609 ( 3.363 0.000 4.090) 5.295 6.660 ( 2.853 0.000 -0.771) 2.955 6.718 ( -0.569 0.000 -1.019) 1.167 6.722 ( -0.275 0.000 -0.432) 0.512 6.773 ( 2.326 0.000 -0.425) 2.364 6.854 ( -0.709 0.000 0.117) 0.718 6.859 ( 2.296 0.000 -1.147) 2.567 6.964 ( -1.835 0.000 -1.954) 2.680 6.993 ( -0.355 0.000 -3.848) 3.864 7.042 ( 0.426 0.000 -0.001) 0.426 7.089 ( 0.056 0.000 1.568) 1.569 7.163 ( 6.143 0.000 -25.268) 26.004 7.239 ( -1.726 0.000 2.673) 3.182 7.264 ( 0.158 0.000 0.185) 0.243 7.299 ( -0.153 0.000 -1.177) 1.187 7.442 ( 0.291 0.000 0.957) 1.000 7.488 ( 0.017 0.000 -0.512) 0.512 7.592 ( -0.193 0.000 -0.560) 0.592 7.630 ( -1.381 0.000 -0.573) 1.495 9.690 ( 0.598 0.000 -0.321) 0.678 9.705 ( -0.043 0.000 -0.032) 0.054 9.784 ( -0.915 0.000 0.416) 1.005 9.788 ( -1.035 0.000 -0.092) 1.039 10.000 ( 0.549 0.000 1.596) 1.687 10.024 ( 0.739 0.000 0.337) 0.812 10.036 ( 0.107 0.000 0.066) 0.126 10.065 ( 0.721 0.000 0.163) 0.739 10.504 ( 0.550 0.000 -0.090) 0.558 10.541 ( 0.022 0.000 -0.067) 0.071 10.570 ( -0.241 0.000 0.108) 0.265 10.573 ( 0.049 0.000 -0.031) 0.058 12.349 ( 1.966 0.000 2.913) 3.515 12.571 ( 8.391 0.000 -0.114) 8.392 12.584 ( -2.202 0.000 -3.030) 3.746 12.698 ( 0.523 0.000 -0.676) 0.854 12.861 ( -0.357 0.000 0.697) 0.783 12.960 ( -7.620 0.000 -0.005) 7.620 13.738 ( -2.990 0.000 18.498) 18.738 13.849 ( 1.774 0.000 2.396) 2.981 13.940 ( -0.648 0.000 -5.963) 5.998 13.959 ( -2.475 0.000 14.761) 14.967 14.105 ( 1.127 0.000 0.489) 1.229 14.245 ( -0.761 0.000 0.619) 0.981 14.318 ( 0.502 0.000 0.019) 0.502 14.349 ( -0.655 0.000 -0.967) 1.168 14.370 ( 2.269 0.000 0.202) 2.278 14.398 ( 0.017 0.000 0.021) 0.027 14.542 ( -3.675 0.000 -0.960) 3.799 14.730 ( -0.115 0.000 -0.039) 0.122 15.066 ( 5.863 0.000 0.886) 5.929 15.326 ( -5.133 0.000 -0.985) 5.227 ======================= Grid point 2 (3/45) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -0.000 0.000 -0.000) 0.000 0.895 ( 0.000 0.000 0.000) 0.000 0.934 ( -0.000 0.000 -0.000) 0.000 0.996 ( 0.000 0.000 0.000) 0.000 1.269 ( 0.000 0.000 -0.000) 0.000 1.386 ( 0.000 0.000 -0.000) 0.000 1.589 ( -0.000 0.000 0.000) 0.000 1.595 ( -0.000 0.000 -0.000) 0.000 1.655 ( 0.000 0.000 0.000) 0.000 1.781 ( 0.000 0.000 0.000) 0.000 1.844 ( 0.000 0.000 -0.000) 0.000 1.877 ( 0.000 0.000 0.000) 0.000 1.933 ( 0.000 0.000 0.000) 0.000 2.011 ( 0.000 0.000 -0.000) 0.000 2.198 ( 0.000 0.000 -0.000) 0.000 2.229 ( 0.000 0.000 -0.000) 0.000 2.253 ( -0.000 0.000 -0.000) 0.000 2.289 ( 0.000 0.000 0.000) 0.000 2.295 ( 0.000 0.000 0.000) 0.000 2.390 ( 0.000 0.000 -0.000) 0.000 2.407 ( 0.000 0.000 0.000) 0.000 2.484 ( 0.000 0.000 0.000) 0.000 2.529 ( 0.000 0.000 -0.000) 0.000 2.564 ( 0.000 0.000 0.000) 0.000 2.643 ( 0.000 0.000 -0.000) 0.000 2.648 ( 0.000 0.000 0.000) 0.000 2.658 ( -0.000 0.000 -0.000) 0.000 2.723 ( 0.000 0.000 -0.000) 0.000 2.728 ( 0.000 0.000 0.000) 0.000 2.845 ( 0.000 0.000 0.000) 0.000 2.906 ( -0.000 0.000 -0.000) 0.000 2.997 ( 0.000 0.000 -0.000) 0.000 3.050 ( 0.000 0.000 -0.000) 0.000 3.124 ( 0.000 0.000 -0.000) 0.000 3.141 ( 0.000 0.000 0.000) 0.000 3.209 ( 0.000 0.000 0.000) 0.000 3.219 ( 0.000 0.000 -0.000) 0.000 3.300 ( -0.000 0.000 -0.000) 0.000 3.379 ( 0.000 0.000 -0.000) 0.000 3.383 ( 0.000 0.000 0.000) 0.000 3.414 ( 0.000 0.000 -0.000) 0.000 3.451 ( 0.000 0.000 0.000) 0.000 3.512 ( 0.000 0.000 -0.000) 0.000 3.530 ( -0.000 0.000 0.000) 0.000 3.562 ( 0.000 0.000 0.000) 0.000 3.603 ( 0.000 0.000 -0.000) 0.000 3.603 ( -0.000 0.000 0.000) 0.000 3.629 ( 0.000 0.000 -0.000) 0.000 3.655 ( 0.000 0.000 -0.000) 0.000 3.731 ( 0.000 0.000 0.000) 0.000 3.779 ( 0.000 0.000 -0.000) 0.000 3.809 ( -0.000 0.000 0.000) 0.000 3.826 ( 0.000 0.000 -0.000) 0.000 3.850 ( 0.000 0.000 0.000) 0.000 3.907 ( 0.000 0.000 -0.000) 0.000 3.914 ( 0.000 0.000 0.000) 0.000 3.961 ( 0.000 0.000 0.000) 0.000 3.995 ( 0.000 0.000 -0.000) 0.000 3.997 ( 0.000 0.000 0.000) 0.000 4.024 ( -0.000 0.000 0.000) 0.000 4.108 ( 0.000 0.000 -0.000) 0.000 4.214 ( 0.000 0.000 0.000) 0.000 4.214 ( 0.000 0.000 0.000) 0.000 4.228 ( 0.000 0.000 -0.000) 0.000 4.252 ( 0.000 0.000 0.000) 0.000 4.299 ( 0.000 0.000 0.000) 0.000 4.334 ( 0.000 0.000 -0.000) 0.000 4.342 ( -0.000 0.000 0.000) 0.000 4.411 ( 0.000 0.000 -0.000) 0.000 4.484 ( 0.000 0.000 -0.000) 0.000 4.486 ( 0.000 0.000 -0.000) 0.000 4.557 ( 0.000 0.000 0.000) 0.000 4.573 ( 0.000 0.000 -0.000) 0.000 4.575 ( -0.000 0.000 0.000) 0.000 4.581 ( 0.000 0.000 -0.000) 0.000 4.703 ( 0.000 0.000 0.000) 0.000 4.730 ( 0.000 0.000 0.000) 0.000 4.751 ( 0.000 0.000 0.000) 0.000 4.857 ( 0.000 0.000 -0.000) 0.000 4.879 ( -0.000 0.000 0.000) 0.000 4.882 ( 0.000 0.000 -0.000) 0.000 4.926 ( 0.000 0.000 0.000) 0.000 4.964 ( 0.000 0.000 -0.000) 0.000 5.091 ( -0.000 0.000 -0.000) 0.000 5.098 ( 0.000 0.000 0.000) 0.000 5.113 ( -0.000 0.000 -0.000) 0.000 5.167 ( 0.000 0.000 0.000) 0.000 5.196 ( 0.000 0.000 -0.000) 0.000 5.318 ( 0.000 0.000 -0.000) 0.000 5.368 ( 0.000 0.000 0.000) 0.000 5.394 ( 0.000 0.000 0.000) 0.000 5.454 ( 0.000 0.000 -0.000) 0.000 5.483 ( 0.000 0.000 0.000) 0.000 5.485 ( 0.000 0.000 -0.000) 0.000 5.508 ( 0.000 0.000 -0.000) 0.000 5.570 ( 0.000 0.000 0.000) 0.000 5.652 ( 0.000 0.000 0.000) 0.000 5.725 ( 0.000 0.000 0.000) 0.000 5.752 ( 0.000 0.000 -0.000) 0.000 5.753 ( 0.000 0.000 -0.000) 0.000 5.788 ( 0.000 0.000 -0.000) 0.000 5.824 ( 0.000 0.000 0.000) 0.000 5.856 ( 0.000 0.000 0.000) 0.000 5.883 ( 0.000 0.000 -0.000) 0.000 5.940 ( 0.000 0.000 0.000) 0.000 5.997 ( 0.000 0.000 -0.000) 0.000 6.015 ( 0.000 0.000 0.000) 0.000 6.072 ( 0.000 0.000 0.000) 0.000 6.104 ( 0.000 0.000 -0.000) 0.000 6.105 ( -0.000 0.000 0.000) 0.000 6.157 ( 0.000 0.000 0.000) 0.000 6.164 ( -0.000 0.000 0.000) 0.000 6.211 ( 0.000 0.000 -0.000) 0.000 6.254 ( 0.000 0.000 -0.000) 0.000 6.365 ( 0.000 0.000 0.000) 0.000 6.380 ( 0.000 0.000 -0.000) 0.000 6.496 ( 0.000 0.000 -0.000) 0.000 6.643 ( 0.000 0.000 0.000) 0.000 6.694 ( 0.000 0.000 -0.000) 0.000 6.709 ( 0.000 0.000 -0.000) 0.000 6.716 ( 0.000 0.000 0.000) 0.000 6.802 ( 0.000 0.000 -0.000) 0.000 6.850 ( 0.000 0.000 0.000) 0.000 6.892 ( 0.000 0.000 -0.000) 0.000 6.934 ( 0.000 0.000 -0.000) 0.000 6.973 ( 0.000 0.000 0.000) 0.000 7.047 ( 0.000 0.000 0.000) 0.000 7.093 ( 0.000 0.000 -0.000) 0.000 7.200 ( -0.000 0.000 0.000) 0.000 7.210 ( 0.000 0.000 -0.000) 0.000 7.266 ( 0.000 0.000 0.000) 0.000 7.296 ( 0.000 0.000 -0.000) 0.000 7.447 ( 0.000 0.000 -0.000) 0.000 7.488 ( 0.000 0.000 0.000) 0.000 7.589 ( 0.000 0.000 0.000) 0.000 7.612 ( 0.000 0.000 0.000) 0.000 9.697 ( 0.000 0.000 -0.000) 0.000 9.705 ( 0.000 0.000 -0.000) 0.000 9.774 ( 0.000 0.000 -0.000) 0.000 9.776 ( 0.000 0.000 -0.000) 0.000 10.009 ( 0.000 0.000 0.000) 0.000 10.033 ( 0.000 0.000 -0.000) 0.000 10.037 ( 0.000 0.000 -0.000) 0.000 10.074 ( 0.000 0.000 -0.000) 0.000 10.511 ( 0.000 0.000 -0.000) 0.000 10.541 ( 0.000 0.000 -0.000) 0.000 10.567 ( 0.000 0.000 -0.000) 0.000 10.574 ( 0.000 0.000 -0.000) 0.000 12.383 ( 0.000 0.000 0.000) 0.000 12.547 ( 0.000 0.000 -0.000) 0.000 12.703 ( 0.000 0.000 0.000) 0.000 12.734 ( 0.000 0.000 0.000) 0.000 12.804 ( -0.000 0.000 0.000) 0.000 12.861 ( 0.000 0.000 0.000) 0.000 13.738 ( 0.000 0.000 0.000) 0.000 13.891 ( 0.000 0.000 0.000) 0.000 13.905 ( 0.000 0.000 -0.000) 0.000 13.958 ( 0.000 0.000 0.000) 0.000 14.120 ( 0.000 0.000 0.000) 0.000 14.236 ( 0.000 0.000 -0.000) 0.000 14.331 ( -0.000 0.000 -0.000) 0.000 14.333 ( 0.000 0.000 0.000) 0.000 14.398 ( 0.000 0.000 -0.000) 0.000 14.409 ( -0.000 0.000 -0.000) 0.000 14.486 ( 0.000 0.000 0.000) 0.000 14.728 ( 0.000 0.000 0.000) 0.000 15.184 ( 0.000 0.000 0.000) 0.000 15.215 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 5 (4/45) ======================= q-point: ( 0.00 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( 0.000 21.801 0.000) 21.801 0.512 ( 0.000 23.967 0.000) 23.967 0.953 ( 0.000 39.360 0.000) 39.360 1.090 ( 0.000 -2.197 0.000) 2.197 1.405 ( 0.000 2.997 0.000) 2.997 1.414 ( 0.000 -2.845 0.000) 2.845 1.516 ( 0.000 -15.907 0.000) 15.907 1.589 ( 0.000 -2.075 0.000) 2.075 1.623 ( 0.000 -6.787 0.000) 6.787 1.804 ( 0.000 -4.280 0.000) 4.280 1.854 ( 0.000 1.253 0.000) 1.253 1.868 ( 0.000 0.283 0.000) 0.283 1.977 ( 0.000 2.293 0.000) 2.293 1.999 ( 0.000 -0.560 0.000) 0.560 2.153 ( 0.000 -2.410 0.000) 2.410 2.230 ( 0.000 1.677 0.000) 1.677 2.267 ( 0.000 -3.568 0.000) 3.568 2.357 ( 0.000 4.787 0.000) 4.787 2.410 ( 0.000 -11.784 0.000) 11.784 2.432 ( 0.000 11.509 0.000) 11.509 2.481 ( 0.000 -0.000 0.000) 0.000 2.535 ( 0.000 -2.411 0.000) 2.411 2.556 ( 0.000 -1.396 0.000) 1.396 2.622 ( 0.000 2.983 0.000) 2.983 2.647 ( 0.000 -0.358 0.000) 0.358 2.683 ( 0.000 -4.980 0.000) 4.980 2.698 ( 0.000 1.997 0.000) 1.997 2.727 ( 0.000 -5.760 0.000) 5.760 2.815 ( 0.000 5.371 0.000) 5.371 2.926 ( 0.000 2.116 0.000) 2.116 2.950 ( 0.000 -4.776 0.000) 4.776 2.991 ( 0.000 5.338 0.000) 5.338 3.020 ( 0.000 -1.144 0.000) 1.144 3.067 ( 0.000 8.616 0.000) 8.616 3.126 ( 0.000 1.381 0.000) 1.381 3.182 ( 0.000 -1.189 0.000) 1.189 3.246 ( 0.000 4.364 0.000) 4.364 3.267 ( 0.000 -1.391 0.000) 1.391 3.329 ( 0.000 -10.007 0.000) 10.007 3.361 ( 0.000 4.563 0.000) 4.563 3.370 ( 0.000 -8.143 0.000) 8.143 3.415 ( 0.000 -1.182 0.000) 1.182 3.492 ( 0.000 -2.040 0.000) 2.040 3.495 ( 0.000 3.484 0.000) 3.484 3.514 ( 0.000 -0.850 0.000) 0.850 3.544 ( 0.000 -0.261 0.000) 0.261 3.581 ( 0.000 -2.978 0.000) 2.978 3.586 ( 0.000 0.840 0.000) 0.840 3.618 ( 0.000 -0.377 0.000) 0.377 3.655 ( 0.000 0.587 0.000) 0.587 3.742 ( 0.000 1.404 0.000) 1.404 3.755 ( 0.000 6.511 0.000) 6.511 3.755 ( 0.000 1.065 0.000) 1.065 3.810 ( 0.000 -2.145 0.000) 2.145 3.893 ( 0.000 3.582 0.000) 3.582 3.946 ( 0.000 -8.367 0.000) 8.367 3.997 ( 0.000 -7.583 0.000) 7.583 3.999 ( 0.000 -2.595 0.000) 2.595 4.048 ( 0.000 -2.187 0.000) 2.187 4.056 ( 0.000 -0.259 0.000) 0.259 4.079 ( 0.000 0.019 0.000) 0.019 4.089 ( 0.000 -0.532 0.000) 0.532 4.169 ( 0.000 -4.916 0.000) 4.916 4.179 ( 0.000 -3.961 0.000) 3.961 4.266 ( 0.000 0.603 0.000) 0.603 4.312 ( 0.000 -3.118 0.000) 3.118 4.364 ( 0.000 2.343 0.000) 2.343 4.378 ( 0.000 0.080 0.000) 0.080 4.394 ( 0.000 -2.733 0.000) 2.733 4.431 ( 0.000 2.596 0.000) 2.596 4.441 ( 0.000 0.699 0.000) 0.699 4.483 ( 0.000 0.616 0.000) 0.616 4.520 ( 0.000 0.787 0.000) 0.787 4.646 ( 0.000 6.229 0.000) 6.229 4.711 ( 0.000 -3.588 0.000) 3.588 4.742 ( 0.000 -1.359 0.000) 1.359 4.769 ( 0.000 -0.660 0.000) 0.660 4.782 ( 0.000 2.328 0.000) 2.328 4.875 ( 0.000 2.919 0.000) 2.919 4.899 ( 0.000 1.153 0.000) 1.153 4.983 ( 0.000 -0.696 0.000) 0.696 5.009 ( 0.000 2.727 0.000) 2.727 5.012 ( 0.000 1.604 0.000) 1.604 5.100 ( 0.000 -2.624 0.000) 2.624 5.133 ( 0.000 0.745 0.000) 0.745 5.142 ( 0.000 6.854 0.000) 6.854 5.179 ( 0.000 -5.624 0.000) 5.624 5.271 ( 0.000 2.036 0.000) 2.036 5.327 ( 0.000 1.541 0.000) 1.541 5.344 ( 0.000 0.141 0.000) 0.141 5.427 ( 0.000 -0.220 0.000) 0.220 5.456 ( 0.000 1.894 0.000) 1.894 5.473 ( 0.000 -0.618 0.000) 0.618 5.492 ( 0.000 0.860 0.000) 0.860 5.541 ( 0.000 0.370 0.000) 0.370 5.560 ( 0.000 -0.224 0.000) 0.224 5.593 ( 0.000 2.868 0.000) 2.868 5.702 ( 0.000 -1.657 0.000) 1.657 5.708 ( 0.000 -3.034 0.000) 3.034 5.756 ( 0.000 1.897 0.000) 1.897 5.770 ( 0.000 0.572 0.000) 0.572 5.840 ( 0.000 -0.905 0.000) 0.905 5.890 ( 0.000 2.334 0.000) 2.334 5.929 ( 0.000 1.655 0.000) 1.655 5.954 ( 0.000 -1.675 0.000) 1.675 5.989 ( 0.000 0.815 0.000) 0.815 6.010 ( 0.000 -1.452 0.000) 1.452 6.029 ( 0.000 -2.297 0.000) 2.297 6.105 ( 0.000 1.727 0.000) 1.727 6.114 ( 0.000 0.656 0.000) 0.656 6.151 ( 0.000 -1.054 0.000) 1.054 6.175 ( 0.000 -2.813 0.000) 2.813 6.246 ( 0.000 -0.821 0.000) 0.821 6.286 ( 0.000 -2.340 0.000) 2.340 6.409 ( 0.000 0.800 0.000) 0.800 6.452 ( 0.000 -0.967 0.000) 0.967 6.487 ( 0.000 5.004 0.000) 5.004 6.564 ( 0.000 7.308 0.000) 7.308 6.653 ( 0.000 -4.788 0.000) 4.788 6.676 ( 0.000 1.677 0.000) 1.677 6.725 ( 0.000 -0.451 0.000) 0.451 6.785 ( 0.000 2.295 0.000) 2.295 6.818 ( 0.000 2.337 0.000) 2.337 6.867 ( 0.000 2.730 0.000) 2.730 6.957 ( 0.000 -2.172 0.000) 2.172 7.005 ( 0.000 -6.836 0.000) 6.836 7.034 ( 0.000 0.142 0.000) 0.142 7.071 ( 0.000 -2.244 0.000) 2.244 7.081 ( 0.000 1.625 0.000) 1.625 7.206 ( 0.000 -3.597 0.000) 3.597 7.253 ( 0.000 -0.370 0.000) 0.370 7.287 ( 0.000 -1.317 0.000) 1.317 7.479 ( 0.000 2.784 0.000) 2.784 7.506 ( 0.000 1.178 0.000) 1.178 7.603 ( 0.000 0.539 0.000) 0.539 7.635 ( 0.000 -0.946 0.000) 0.946 9.686 ( 0.000 0.200 0.000) 0.200 9.701 ( 0.000 -0.373 0.000) 0.373 9.794 ( 0.000 -0.016 0.000) 0.016 9.798 ( 0.000 -0.213 0.000) 0.213 9.957 ( 0.000 0.929 0.000) 0.929 10.006 ( 0.000 -0.845 0.000) 0.845 10.036 ( 0.000 0.182 0.000) 0.182 10.052 ( 0.000 -0.414 0.000) 0.414 10.507 ( 0.000 0.785 0.000) 0.785 10.537 ( 0.000 -0.396 0.000) 0.396 10.571 ( 0.000 -0.066 0.000) 0.066 10.572 ( 0.000 -0.057 0.000) 0.057 12.377 ( 0.000 4.725 0.000) 4.725 12.520 ( 0.000 1.713 0.000) 1.713 12.641 ( 0.000 2.716 0.000) 2.716 12.684 ( 0.000 -0.859 0.000) 0.859 12.829 ( 0.000 -3.246 0.000) 3.246 12.831 ( 0.000 -3.525 0.000) 3.525 13.101 ( 0.000 6.953 0.000) 6.953 13.659 ( 0.000 -15.660 0.000) 15.660 13.870 ( 0.000 3.852 0.000) 3.852 14.000 ( 0.000 3.751 0.000) 3.751 14.059 ( 0.000 -3.115 0.000) 3.115 14.211 ( 0.000 -4.453 0.000) 4.453 14.325 ( 0.000 0.832 0.000) 0.832 14.400 ( 0.000 1.171 0.000) 1.171 14.473 ( 0.000 6.002 0.000) 6.002 14.584 ( 0.000 1.584 0.000) 1.584 14.760 ( 0.000 3.224 0.000) 3.224 14.967 ( 0.000 -3.546 0.000) 3.546 15.392 ( 0.000 1.348 0.000) 1.348 15.470 ( 0.000 -1.592 0.000) 1.592 ======================= Grid point 6 (5/45) ======================= q-point: ( 0.25 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 13.256 15.778 6.011) 21.466 0.691 ( 18.284 13.329 2.088) 22.723 1.134 ( 3.734 0.341 1.286) 3.964 1.199 ( 15.983 17.261 3.919) 23.848 1.285 ( -10.263 3.058 -4.432) 11.590 1.357 ( 0.010 10.613 -1.143) 10.674 1.512 ( -0.035 -6.322 2.033) 6.640 1.587 ( -1.195 -5.811 1.351) 6.085 1.655 ( -8.868 -2.713 -1.452) 9.387 1.680 ( 3.033 -8.446 1.944) 9.182 1.770 ( -3.716 -7.046 -4.721) 9.260 1.883 ( 0.170 1.530 0.514) 1.623 1.962 ( -0.934 2.536 1.958) 3.337 2.050 ( 5.635 -1.732 -0.523) 5.919 2.194 ( 0.484 0.767 3.388) 3.507 2.253 ( -1.810 -0.192 0.174) 1.828 2.292 ( -3.171 -3.430 -0.346) 4.684 2.332 ( -6.231 8.116 -2.726) 10.589 2.395 ( 4.827 -5.363 2.845) 7.756 2.433 ( -2.414 3.510 -0.003) 4.260 2.505 ( -0.932 0.508 2.403) 2.627 2.512 ( 0.910 -0.589 -1.186) 1.607 2.543 ( 1.015 -0.734 0.800) 1.486 2.588 ( 0.185 4.310 -0.855) 4.398 2.628 ( -4.974 -4.620 -5.669) 8.845 2.671 ( -1.851 4.414 -0.138) 4.788 2.700 ( 0.361 0.227 1.200) 1.274 2.738 ( -2.334 0.888 -0.410) 2.531 2.781 ( -4.499 1.612 -4.678) 6.688 2.832 ( 1.007 -0.964 1.222) 1.854 2.915 ( -0.123 3.029 0.327) 3.050 2.935 ( -4.929 -7.482 -0.865) 9.001 3.051 ( -0.013 0.750 -0.093) 0.756 3.096 ( 0.675 1.642 0.645) 1.889 3.109 ( 1.036 3.469 0.961) 3.746 3.203 ( 2.066 -0.658 -0.552) 2.237 3.234 ( -0.858 -1.542 -0.731) 1.910 3.304 ( 0.385 -3.856 1.438) 4.133 3.353 ( 0.586 0.840 -2.021) 2.266 3.357 ( -2.188 -4.789 1.144) 5.388 3.374 ( -1.038 -0.809 -1.366) 1.896 3.392 ( 2.242 -1.280 -0.568) 2.643 3.450 ( 1.953 -1.044 2.801) 3.571 3.507 ( -1.341 -3.361 -2.379) 4.331 3.553 ( 2.030 0.842 1.131) 2.472 3.576 ( 2.741 0.030 -0.475) 2.782 3.600 ( 3.972 2.523 1.503) 4.940 3.620 ( 1.237 -0.279 3.471) 3.695 3.659 ( 3.451 -3.081 2.302) 5.167 3.727 ( 1.536 0.376 -3.281) 3.643 3.743 ( -1.043 -0.196 3.624) 3.777 3.753 ( 0.766 1.862 -0.098) 2.016 3.788 ( 3.225 1.338 0.998) 3.631 3.826 ( 1.283 0.084 1.766) 2.184 3.875 ( -0.969 -0.291 -1.762) 2.032 3.891 ( -5.417 -5.639 1.241) 7.917 3.946 ( -1.312 -5.514 1.324) 5.821 3.987 ( -1.793 -0.270 2.990) 3.497 4.037 ( 0.906 -2.268 -0.330) 2.465 4.095 ( -0.255 -4.531 0.745) 4.598 4.107 ( 1.103 3.837 2.493) 4.706 4.121 ( 0.214 -2.689 -1.176) 2.943 4.168 ( 1.442 -4.010 -2.597) 4.991 4.209 ( 2.111 -2.167 -5.402) 6.191 4.247 ( -1.085 0.635 1.057) 1.642 4.293 ( -2.122 -1.193 -1.089) 2.667 4.314 ( -0.957 1.370 4.027) 4.360 4.372 ( -0.323 2.527 1.320) 2.869 4.415 ( -0.168 0.739 1.453) 1.639 4.442 ( 0.087 -3.253 -2.972) 4.407 4.485 ( 1.394 -2.695 -1.820) 3.538 4.495 ( 3.160 2.127 -1.166) 3.984 4.530 ( 1.780 -2.551 0.446) 3.142 4.583 ( -1.850 3.508 -4.615) 6.085 4.637 ( -2.116 0.339 -2.020) 2.945 4.728 ( -3.222 -2.817 -1.525) 4.544 4.781 ( -1.963 2.870 3.009) 4.598 4.789 ( 0.886 -2.585 -1.357) 3.051 4.824 ( -4.472 3.024 -1.736) 5.671 4.895 ( 2.764 1.810 -1.226) 3.524 4.951 ( -3.714 0.422 1.825) 4.159 4.980 ( -6.220 1.142 -1.051) 6.411 5.080 ( 1.287 1.059 3.860) 4.205 5.090 ( 4.549 2.771 1.988) 5.685 5.114 ( -0.597 0.718 -1.225) 1.540 5.152 ( 1.073 2.487 -2.387) 3.610 5.184 ( -4.418 3.188 -0.488) 5.470 5.223 ( -3.344 2.641 3.645) 5.608 5.273 ( 2.485 -1.629 -0.086) 2.973 5.354 ( 0.277 3.602 0.097) 3.614 5.386 ( -0.983 1.990 0.967) 2.421 5.460 ( -3.415 0.630 2.463) 4.257 5.463 ( -2.536 -1.403 -1.242) 3.153 5.523 ( 1.780 2.399 0.333) 3.005 5.534 ( 4.246 -1.241 2.599) 5.130 5.592 ( 2.901 -0.188 -4.786) 5.600 5.599 ( -0.078 0.929 -0.450) 1.035 5.654 ( 3.991 1.649 -4.465) 6.212 5.717 ( 3.868 -1.926 -2.147) 4.825 5.756 ( -0.641 -1.761 2.280) 2.951 5.835 ( 0.326 3.517 1.642) 3.895 5.868 ( -0.464 2.152 -4.938) 5.406 5.916 ( 0.207 -0.812 3.800) 3.891 5.931 ( -0.540 -0.223 -0.856) 1.036 5.945 ( -2.497 1.936 1.547) 3.518 5.964 ( 1.352 -0.985 -0.382) 1.716 6.014 ( 0.396 -1.392 0.584) 1.560 6.055 ( 2.198 -2.740 0.499) 3.548 6.089 ( -2.131 2.207 -1.788) 3.551 6.131 ( 1.678 1.649 -0.872) 2.509 6.151 ( -1.520 -1.373 3.351) 3.927 6.175 ( -1.048 -0.779 0.602) 1.438 6.223 ( -0.704 -0.754 4.803) 4.912 6.244 ( -4.756 -1.236 3.318) 5.929 6.387 ( -2.918 0.584 2.120) 3.654 6.435 ( -1.028 0.082 -2.703) 2.893 6.538 ( 2.559 0.102 -1.508) 2.973 6.581 ( 0.641 4.689 4.175) 6.310 6.641 ( -0.458 -3.548 1.702) 3.962 6.711 ( 2.170 1.659 -1.783) 3.262 6.759 ( 2.868 0.964 -0.346) 3.046 6.818 ( 2.599 0.055 -2.026) 3.296 6.848 ( 2.076 3.122 0.331) 3.764 6.867 ( 0.837 1.222 -2.173) 2.630 6.944 ( -0.457 -2.134 -2.253) 3.137 6.985 ( -1.962 -1.232 -0.255) 2.331 7.049 ( 1.601 -1.539 0.549) 2.287 7.054 ( -0.487 -1.612 0.291) 1.709 7.095 ( 1.822 -3.033 -5.430) 6.481 7.194 ( -1.814 -3.845 2.161) 4.769 7.255 ( 0.155 -0.189 0.255) 0.353 7.288 ( 0.068 -1.032 -0.189) 1.051 7.459 ( -1.225 1.777 0.199) 2.167 7.495 ( -0.993 0.440 -0.466) 1.182 7.582 ( -0.963 0.166 -0.917) 1.340 7.620 ( -1.257 -0.895 -0.941) 1.807 9.691 ( 0.502 0.115 -0.257) 0.575 9.701 ( 0.024 -0.284 -0.045) 0.289 9.784 ( -0.847 -0.006 0.253) 0.884 9.786 ( -0.852 -0.073 0.058) 0.857 9.993 ( 1.650 -0.079 1.379) 2.152 10.013 ( 0.416 -0.707 0.395) 0.911 10.045 ( 0.790 0.496 0.163) 0.947 10.062 ( 0.859 -0.312 0.139) 0.924 10.511 ( 0.366 0.607 -0.172) 0.729 10.537 ( -0.012 -0.418 -0.135) 0.439 10.570 ( -0.058 0.072 0.169) 0.192 10.574 ( 0.078 -0.006 0.042) 0.088 12.398 ( 1.849 4.508 0.837) 4.944 12.595 ( 6.616 -0.125 -0.638) 6.648 12.616 ( -1.574 3.024 -2.902) 4.478 12.700 ( 2.295 1.523 -0.116) 2.757 12.826 ( -0.144 -2.899 1.213) 3.146 13.029 ( -7.239 7.142 -0.242) 10.172 13.129 ( 19.145 -20.249 12.376) 30.492 13.611 ( -4.917 -17.690 -1.824) 18.451 13.893 ( 2.198 3.783 0.343) 4.389 13.986 ( -1.411 3.876 -0.679) 4.180 14.075 ( 1.310 -2.958 0.835) 3.341 14.204 ( -0.606 -4.795 -0.321) 4.844 14.331 ( 0.658 0.085 0.035) 0.664 14.377 ( -1.368 0.378 -1.369) 1.972 14.521 ( 3.642 6.306 1.657) 7.468 14.570 ( -0.723 4.380 0.622) 4.482 14.760 ( 0.226 4.362 -0.713) 4.426 14.994 ( -2.249 0.630 1.199) 2.626 15.143 ( -16.275 14.935 -1.287) 22.126 15.327 ( -6.310 -0.046 -1.275) 6.438 ======================= Grid point 7 (6/45) ======================= q-point: (-0.50 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 0.000 4.058 0.000) 4.058 0.992 ( 0.000 6.717 -0.000) 6.717 1.058 ( -0.000 11.836 -0.000) 11.836 1.068 ( 0.000 4.940 0.000) 4.940 1.288 ( 0.000 0.722 -0.000) 0.722 1.457 ( 0.000 3.281 0.000) 3.281 1.505 ( -0.000 -7.823 -0.000) 7.823 1.541 ( 0.000 -6.311 0.000) 6.311 1.704 ( 0.000 -5.631 -0.000) 5.631 1.751 ( 0.000 -14.658 0.000) 14.658 1.790 ( -0.000 11.152 -0.000) 11.152 1.893 ( -0.000 2.087 -0.000) 2.087 1.934 ( 0.000 11.512 0.000) 11.512 1.977 ( 0.000 2.755 -0.000) 2.755 2.136 ( 0.000 -0.921 0.000) 0.921 2.184 ( 0.000 0.241 -0.000) 0.241 2.295 ( 0.000 -1.738 0.000) 1.738 2.325 ( 0.000 3.281 0.000) 3.281 2.396 ( -0.000 -1.375 0.000) 1.375 2.449 ( 0.000 -5.443 -0.000) 5.443 2.452 ( -0.000 6.487 0.000) 6.487 2.530 ( 0.000 -1.280 -0.000) 1.280 2.545 ( 0.000 -2.904 -0.000) 2.904 2.580 ( 0.000 4.080 -0.000) 4.080 2.605 ( 0.000 2.703 0.000) 2.703 2.633 ( 0.000 7.691 0.000) 7.691 2.674 ( 0.000 0.233 0.000) 0.233 2.707 ( 0.000 1.898 0.000) 1.898 2.794 ( 0.000 -2.059 -0.000) 2.059 2.824 ( -0.000 -1.829 0.000) 1.829 2.876 ( 0.000 -0.323 0.000) 0.323 2.940 ( 0.000 -4.509 0.000) 4.509 3.070 ( 0.000 1.887 -0.000) 1.887 3.074 ( -0.000 1.890 0.000) 1.890 3.124 ( 0.000 -0.429 -0.000) 0.429 3.204 ( 0.000 -4.768 0.000) 4.768 3.276 ( 0.000 -6.333 0.000) 6.333 3.296 ( -0.000 -0.328 -0.000) 0.328 3.319 ( -0.000 0.730 -0.000) 0.730 3.331 ( 0.000 3.316 0.000) 3.316 3.387 ( 0.000 -1.002 -0.000) 1.002 3.404 ( 0.000 -10.133 -0.000) 10.133 3.481 ( 0.000 -0.951 0.000) 0.951 3.499 ( 0.000 -0.288 -0.000) 0.288 3.574 ( 0.000 -2.063 -0.000) 2.063 3.620 ( 0.000 -3.076 0.000) 3.076 3.628 ( -0.000 2.929 0.000) 2.929 3.660 ( 0.000 2.492 0.000) 2.492 3.680 ( 0.000 3.501 -0.000) 3.501 3.718 ( 0.000 0.871 0.000) 0.871 3.769 ( 0.000 -1.898 0.000) 1.898 3.802 ( 0.000 -4.244 0.000) 4.244 3.803 ( -0.000 -0.388 -0.000) 0.388 3.808 ( 0.000 -0.896 -0.000) 0.896 3.836 ( -0.000 -0.859 -0.000) 0.859 3.884 ( 0.000 0.331 -0.000) 0.331 3.939 ( 0.000 -2.245 0.000) 2.245 3.978 ( 0.000 -0.341 -0.000) 0.341 4.001 ( 0.000 -2.199 0.000) 2.199 4.078 ( 0.000 -6.723 0.000) 6.723 4.115 ( 0.000 -1.435 -0.000) 1.435 4.154 ( 0.000 1.945 0.000) 1.945 4.167 ( -0.000 4.354 -0.000) 4.354 4.209 ( 0.000 -1.121 0.000) 1.121 4.237 ( 0.000 -4.359 -0.000) 4.359 4.270 ( 0.000 -2.435 0.000) 2.435 4.345 ( 0.000 2.969 0.000) 2.969 4.365 ( 0.000 3.121 0.000) 3.121 4.390 ( -0.000 -2.340 -0.000) 2.340 4.431 ( 0.000 -2.492 0.000) 2.492 4.504 ( 0.000 -4.187 -0.000) 4.187 4.544 ( -0.000 -1.481 0.000) 1.481 4.545 ( 0.000 0.963 -0.000) 0.963 4.600 ( -0.000 0.816 0.000) 0.816 4.615 ( 0.000 1.455 -0.000) 1.455 4.674 ( 0.000 -3.060 -0.000) 3.060 4.750 ( -0.000 3.557 0.000) 3.557 4.755 ( 0.000 0.526 -0.000) 0.526 4.836 ( 0.000 -4.881 -0.000) 4.881 4.877 ( 0.000 2.527 0.000) 2.527 4.915 ( 0.000 2.357 0.000) 2.357 4.935 ( 0.000 -0.389 -0.000) 0.389 5.062 ( 0.000 0.097 0.000) 0.097 5.116 ( 0.000 5.010 0.000) 5.010 5.143 ( -0.000 5.011 0.000) 5.011 5.145 ( 0.000 1.187 -0.000) 1.187 5.161 ( 0.000 0.010 -0.000) 0.010 5.215 ( 0.000 2.804 -0.000) 2.804 5.301 ( 0.000 -3.328 -0.000) 3.328 5.373 ( 0.000 2.312 -0.000) 2.312 5.382 ( -0.000 2.855 0.000) 2.855 5.419 ( 0.000 0.071 0.000) 0.071 5.437 ( 0.000 -1.214 -0.000) 1.214 5.513 ( 0.000 0.149 -0.000) 0.149 5.580 ( 0.000 1.835 -0.000) 1.835 5.580 ( -0.000 0.832 0.000) 0.832 5.655 ( 0.000 -0.803 0.000) 0.803 5.735 ( 0.000 1.251 -0.000) 1.251 5.749 ( 0.000 -1.651 -0.000) 1.651 5.768 ( -0.000 0.683 0.000) 0.683 5.848 ( 0.000 0.517 0.000) 0.517 5.852 ( 0.000 2.258 -0.000) 2.258 5.869 ( -0.000 3.990 0.000) 3.990 5.909 ( 0.000 -0.483 0.000) 0.483 5.935 ( 0.000 3.875 0.000) 3.875 5.986 ( 0.000 -0.564 0.000) 0.564 6.039 ( 0.000 -1.631 -0.000) 1.631 6.069 ( 0.000 0.476 -0.000) 0.476 6.070 ( -0.000 0.451 0.000) 0.451 6.081 ( 0.000 -2.219 -0.000) 2.219 6.164 ( 0.000 0.621 -0.000) 0.621 6.172 ( -0.000 0.522 0.000) 0.522 6.184 ( 0.000 -0.820 -0.000) 0.820 6.244 ( 0.000 -1.235 0.000) 1.235 6.364 ( 0.000 -0.028 0.000) 0.028 6.411 ( 0.000 -0.346 -0.000) 0.346 6.555 ( 0.000 4.737 -0.000) 4.737 6.589 ( 0.000 -2.907 0.000) 2.907 6.645 ( 0.000 -1.566 -0.000) 1.566 6.733 ( 0.000 2.066 -0.000) 2.066 6.786 ( 0.000 3.779 0.000) 3.779 6.835 ( 0.000 -0.898 -0.000) 0.898 6.868 ( 0.000 4.329 0.000) 4.329 6.882 ( 0.000 -1.018 -0.000) 1.018 6.947 ( 0.000 0.695 -0.000) 0.695 6.953 ( 0.000 -1.393 -0.000) 1.393 7.053 ( 0.000 0.376 0.000) 0.376 7.053 ( -0.000 -3.027 -0.000) 3.027 7.143 ( 0.000 -4.458 -0.000) 4.458 7.153 ( 0.000 -5.498 0.000) 5.498 7.258 ( 0.000 -0.040 0.000) 0.040 7.288 ( 0.000 -0.748 -0.000) 0.748 7.448 ( 0.000 0.686 -0.000) 0.686 7.483 ( 0.000 -0.308 0.000) 0.308 7.572 ( 0.000 -0.645 0.000) 0.645 7.603 ( 0.000 -0.863 -0.000) 0.863 9.697 ( 0.000 0.010 -0.000) 0.010 9.702 ( 0.000 -0.206 -0.000) 0.206 9.775 ( 0.000 0.089 0.000) 0.089 9.776 ( 0.000 0.018 -0.000) 0.018 10.009 ( 0.000 0.001 0.000) 0.001 10.018 ( 0.000 -0.603 -0.000) 0.603 10.055 ( 0.000 0.776 -0.000) 0.776 10.073 ( 0.000 -0.174 -0.000) 0.174 10.515 ( 0.000 0.408 -0.000) 0.408 10.536 ( 0.000 -0.436 -0.000) 0.436 10.570 ( 0.000 0.242 -0.000) 0.242 10.574 ( 0.000 0.032 -0.000) 0.032 12.425 ( 0.000 3.917 0.000) 3.917 12.583 ( 0.000 2.822 -0.000) 2.822 12.662 ( 0.000 -3.520 0.000) 3.520 12.798 ( 0.000 -3.229 -0.000) 3.229 12.823 ( 0.000 8.732 0.000) 8.732 12.889 ( -0.000 5.505 0.000) 5.505 13.401 ( 0.000 -19.292 0.000) 19.292 13.493 ( -0.000 -23.952 -0.000) 23.952 13.935 ( 0.000 3.318 0.000) 3.318 13.952 ( -0.000 4.431 -0.000) 4.431 14.093 ( 0.000 -2.609 0.000) 2.609 14.195 ( 0.000 -5.335 0.000) 5.335 14.343 ( -0.000 -0.465 -0.000) 0.465 14.358 ( 0.000 -0.832 0.000) 0.832 14.539 ( 0.000 4.796 0.000) 4.796 14.614 ( 0.000 6.152 -0.000) 6.152 14.773 ( 0.000 18.331 0.000) 18.331 14.813 ( -0.000 10.579 0.000) 10.579 15.170 ( 0.000 -1.342 -0.000) 1.342 15.196 ( 0.000 -1.874 -0.000) 1.874 ======================= Grid point 10 (7/45) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 0.000 -16.921 0.000) 16.921 0.879 ( 0.000 16.921 0.000) 16.921 0.982 ( 0.000 -20.966 0.000) 20.966 0.982 ( 0.000 20.966 0.000) 20.966 1.453 ( 0.000 -4.811 0.000) 4.811 1.453 ( 0.000 4.811 0.000) 4.811 1.497 ( 0.000 -4.126 0.000) 4.126 1.497 ( 0.000 4.126 0.000) 4.126 1.793 ( 0.000 -10.533 0.000) 10.533 1.793 ( 0.000 10.533 0.000) 10.533 1.875 ( 0.000 -0.448 0.000) 0.448 1.875 ( 0.000 0.448 0.000) 0.448 1.934 ( 0.000 -13.885 0.000) 13.885 1.934 ( 0.000 13.885 0.000) 13.885 2.114 ( 0.000 -4.755 0.000) 4.755 2.114 ( 0.000 4.755 0.000) 4.755 2.225 ( 0.000 -2.606 0.000) 2.606 2.225 ( 0.000 2.606 0.000) 2.606 2.467 ( 0.000 -3.724 0.000) 3.724 2.467 ( 0.000 3.724 0.000) 3.724 2.502 ( 0.000 -1.440 0.000) 1.440 2.502 ( 0.000 1.440 0.000) 1.440 2.619 ( 0.000 -1.003 0.000) 1.003 2.619 ( 0.000 1.003 0.000) 1.003 2.628 ( 0.000 -1.562 0.000) 1.562 2.628 ( 0.000 1.562 0.000) 1.562 2.755 ( 0.000 -13.315 0.000) 13.315 2.755 ( 0.000 13.315 0.000) 13.315 2.898 ( 0.000 -10.266 0.000) 10.266 2.898 ( 0.000 10.266 0.000) 10.266 2.949 ( 0.000 -6.467 0.000) 6.467 2.949 ( 0.000 6.467 0.000) 6.467 3.106 ( 0.000 -3.778 0.000) 3.778 3.106 ( 0.000 3.778 0.000) 3.778 3.141 ( 0.000 -0.670 0.000) 0.670 3.141 ( 0.000 0.670 0.000) 0.670 3.217 ( 0.000 -3.464 0.000) 3.464 3.217 ( 0.000 3.464 0.000) 3.464 3.269 ( 0.000 -1.471 0.000) 1.471 3.269 ( 0.000 1.471 0.000) 1.471 3.420 ( 0.000 -1.547 0.000) 1.547 3.420 ( 0.000 1.547 0.000) 1.547 3.460 ( 0.000 -0.307 0.000) 0.307 3.460 ( 0.000 0.307 0.000) 0.307 3.544 ( 0.000 -1.153 0.000) 1.153 3.544 ( 0.000 1.153 0.000) 1.153 3.618 ( 0.000 -1.081 0.000) 1.081 3.618 ( 0.000 1.081 0.000) 1.081 3.673 ( 0.000 -7.874 0.000) 7.874 3.673 ( 0.000 7.874 0.000) 7.874 3.720 ( 0.000 -2.714 0.000) 2.714 3.720 ( 0.000 2.714 0.000) 2.714 3.816 ( 0.000 -6.018 0.000) 6.018 3.816 ( 0.000 6.018 0.000) 6.018 3.877 ( 0.000 -0.863 0.000) 0.863 3.877 ( 0.000 0.863 0.000) 0.863 3.973 ( 0.000 -2.720 0.000) 2.720 3.973 ( 0.000 2.720 0.000) 2.720 4.012 ( 0.000 -1.712 0.000) 1.712 4.012 ( 0.000 1.712 0.000) 1.712 4.063 ( 0.000 -0.111 0.000) 0.111 4.063 ( 0.000 0.111 0.000) 0.111 4.118 ( 0.000 -2.114 0.000) 2.114 4.118 ( 0.000 2.114 0.000) 2.114 4.271 ( 0.000 -0.127 0.000) 0.127 4.271 ( 0.000 0.127 0.000) 0.127 4.368 ( 0.000 -0.279 0.000) 0.279 4.368 ( 0.000 0.279 0.000) 0.279 4.413 ( 0.000 -1.982 0.000) 1.982 4.413 ( 0.000 1.982 0.000) 1.982 4.487 ( 0.000 -2.670 0.000) 2.670 4.487 ( 0.000 2.670 0.000) 2.670 4.595 ( 0.000 -6.055 0.000) 6.055 4.595 ( 0.000 6.055 0.000) 6.055 4.720 ( 0.000 -0.466 0.000) 0.466 4.720 ( 0.000 0.466 0.000) 0.466 4.780 ( 0.000 -1.606 0.000) 1.606 4.780 ( 0.000 1.606 0.000) 1.606 4.915 ( 0.000 -0.718 0.000) 0.718 4.915 ( 0.000 0.718 0.000) 0.718 5.044 ( 0.000 -6.450 0.000) 6.450 5.044 ( 0.000 6.450 0.000) 6.450 5.064 ( 0.000 -0.801 0.000) 0.801 5.064 ( 0.000 0.801 0.000) 0.801 5.092 ( 0.000 -2.851 0.000) 2.851 5.092 ( 0.000 2.851 0.000) 2.851 5.246 ( 0.000 -3.715 0.000) 3.715 5.246 ( 0.000 3.715 0.000) 3.715 5.356 ( 0.000 -0.974 0.000) 0.974 5.356 ( 0.000 0.974 0.000) 0.974 5.445 ( 0.000 -0.578 0.000) 0.578 5.445 ( 0.000 0.578 0.000) 0.578 5.494 ( 0.000 -1.560 0.000) 1.560 5.494 ( 0.000 1.560 0.000) 1.560 5.549 ( 0.000 -0.743 0.000) 0.743 5.549 ( 0.000 0.743 0.000) 0.743 5.661 ( 0.000 -2.604 0.000) 2.604 5.661 ( 0.000 2.604 0.000) 2.604 5.710 ( 0.000 -3.469 0.000) 3.469 5.710 ( 0.000 3.469 0.000) 3.469 5.809 ( 0.000 -3.209 0.000) 3.209 5.809 ( 0.000 3.209 0.000) 3.209 5.930 ( 0.000 -1.235 0.000) 1.235 5.930 ( 0.000 1.235 0.000) 1.235 5.979 ( 0.000 -1.793 0.000) 1.793 5.979 ( 0.000 1.793 0.000) 1.793 6.001 ( 0.000 -0.736 0.000) 0.736 6.001 ( 0.000 0.736 0.000) 0.736 6.118 ( 0.000 -0.051 0.000) 0.051 6.118 ( 0.000 0.051 0.000) 0.051 6.139 ( 0.000 -0.583 0.000) 0.583 6.139 ( 0.000 0.583 0.000) 0.583 6.246 ( 0.000 -1.055 0.000) 1.055 6.246 ( 0.000 1.055 0.000) 1.055 6.428 ( 0.000 -1.198 0.000) 1.198 6.428 ( 0.000 1.198 0.000) 1.198 6.556 ( 0.000 -3.717 0.000) 3.717 6.556 ( 0.000 3.717 0.000) 3.717 6.705 ( 0.000 -1.505 0.000) 1.505 6.705 ( 0.000 1.505 0.000) 1.505 6.798 ( 0.000 -10.730 0.000) 10.730 6.798 ( 0.000 10.730 0.000) 10.730 6.833 ( 0.000 -0.635 0.000) 0.635 6.833 ( 0.000 0.635 0.000) 0.635 6.919 ( 0.000 -1.681 0.000) 1.681 6.919 ( 0.000 1.681 0.000) 1.681 7.043 ( 0.000 -0.721 0.000) 0.721 7.043 ( 0.000 0.721 0.000) 0.721 7.129 ( 0.000 -3.259 0.000) 3.259 7.129 ( 0.000 3.259 0.000) 3.259 7.260 ( 0.000 -1.026 0.000) 1.026 7.260 ( 0.000 1.026 0.000) 1.026 7.517 ( 0.000 -0.574 0.000) 0.574 7.517 ( 0.000 0.574 0.000) 0.574 7.615 ( 0.000 -0.786 0.000) 0.786 7.615 ( 0.000 0.786 0.000) 0.786 9.693 ( 0.000 -0.393 0.000) 0.393 9.693 ( 0.000 0.393 0.000) 0.393 9.794 ( 0.000 -0.107 0.000) 0.107 9.794 ( 0.000 0.107 0.000) 0.107 9.982 ( 0.000 -1.308 0.000) 1.308 9.982 ( 0.000 1.308 0.000) 1.308 10.043 ( 0.000 -0.444 0.000) 0.444 10.043 ( 0.000 0.444 0.000) 0.444 10.525 ( 0.000 -0.773 0.000) 0.773 10.525 ( 0.000 0.773 0.000) 0.773 10.571 ( 0.000 -0.052 0.000) 0.052 10.571 ( 0.000 0.052 0.000) 0.052 12.489 ( 0.000 -4.862 0.000) 4.862 12.489 ( 0.000 4.862 0.000) 4.862 12.692 ( 0.000 -0.001 0.000) 0.001 12.692 ( 0.000 0.001 0.000) 0.001 12.768 ( 0.000 -0.212 0.000) 0.212 12.768 ( 0.000 0.212 0.000) 0.212 13.330 ( 0.000 -14.451 0.000) 14.451 13.330 ( 0.000 14.451 0.000) 14.451 13.969 ( 0.000 -5.091 0.000) 5.091 13.969 ( 0.000 5.091 0.000) 5.091 14.100 ( 0.000 -5.532 0.000) 5.532 14.100 ( 0.000 5.532 0.000) 5.532 14.371 ( 0.000 -2.837 0.000) 2.837 14.371 ( 0.000 2.837 0.000) 2.837 14.574 ( 0.000 -3.023 0.000) 3.023 14.574 ( 0.000 3.023 0.000) 3.023 14.865 ( 0.000 -5.846 0.000) 5.846 14.865 ( 0.000 5.846 0.000) 5.846 15.429 ( 0.000 -2.065 0.000) 2.065 15.429 ( 0.000 2.065 0.000) 2.065 ======================= Grid point 12 (8/45) ======================= q-point: ( 0.25 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 8.193 -4.700 -3.115) 9.946 0.963 ( 8.193 4.700 -3.115) 9.946 1.046 ( 4.816 -9.594 7.306) 12.985 1.046 ( 4.816 9.594 7.306) 12.985 1.431 ( -3.409 -5.816 -3.573) 7.630 1.431 ( -3.409 5.816 -3.573) 7.630 1.497 ( -0.149 -3.706 -1.939) 4.186 1.497 ( -0.149 3.707 -1.939) 4.186 1.653 ( -8.434 -5.350 -1.335) 10.077 1.653 ( -8.434 5.350 -1.335) 10.077 1.906 ( 3.172 -10.304 2.525) 11.073 1.906 ( 3.172 10.304 2.525) 11.073 1.987 ( 4.070 -11.783 0.250) 12.469 1.987 ( 4.070 11.783 0.250) 12.469 2.167 ( 5.139 -6.405 -0.875) 8.258 2.167 ( 5.139 6.405 -0.875) 8.258 2.276 ( 0.927 -3.666 5.314) 6.522 2.276 ( 0.927 3.666 5.314) 6.522 2.410 ( -4.567 -1.929 1.442) 5.164 2.410 ( -4.567 1.929 1.442) 5.164 2.512 ( -1.520 -5.004 0.413) 5.246 2.512 ( -1.520 5.004 0.413) 5.246 2.568 ( -0.153 -2.682 -2.591) 3.732 2.568 ( -0.153 2.682 -2.591) 3.732 2.677 ( 1.746 -2.698 2.030) 3.801 2.677 ( 1.746 2.698 2.030) 3.801 2.735 ( -3.621 -6.956 0.752) 7.878 2.735 ( -3.621 6.956 0.752) 7.878 2.853 ( -4.367 -1.218 -3.624) 5.804 2.853 ( -4.367 1.218 -3.624) 5.804 2.928 ( 2.374 -15.117 -2.259) 15.469 2.928 ( 2.374 15.117 -2.259) 15.469 3.049 ( -3.587 -2.903 0.575) 4.650 3.049 ( -3.587 2.903 0.575) 4.650 3.158 ( 0.459 -4.903 -2.392) 5.474 3.158 ( 0.459 4.903 -2.392) 5.474 3.212 ( 0.578 -5.166 -0.643) 5.238 3.212 ( 0.578 5.166 -0.643) 5.238 3.302 ( 0.338 -5.844 -0.337) 5.863 3.302 ( 0.338 5.844 -0.337) 5.863 3.423 ( -2.809 -2.567 0.108) 3.807 3.423 ( -2.809 2.567 0.108) 3.807 3.459 ( 1.835 -1.903 1.791) 3.193 3.459 ( 1.835 1.903 1.791) 3.193 3.540 ( -0.074 -1.160 -1.939) 2.261 3.540 ( -0.074 1.160 -1.939) 2.261 3.630 ( 3.507 -3.474 2.473) 5.521 3.630 ( 3.507 3.474 2.473) 5.521 3.718 ( 1.697 -4.437 1.081) 4.872 3.718 ( 1.697 4.437 1.081) 4.872 3.750 ( 2.282 -3.002 4.117) 5.583 3.750 ( 2.282 3.002 4.117) 5.583 3.783 ( -1.523 -5.055 -0.604) 5.314 3.783 ( -1.523 5.055 -0.604) 5.314 3.879 ( -0.838 -2.620 -1.480) 3.124 3.879 ( -0.838 2.620 -1.480) 3.124 3.913 ( -2.043 -6.141 0.057) 6.472 3.913 ( -2.043 6.141 0.057) 6.472 4.025 ( -0.584 -2.622 3.671) 4.549 4.025 ( -0.584 2.622 3.671) 4.549 4.104 ( 3.782 -3.383 -1.759) 5.370 4.104 ( 3.782 3.383 -1.759) 5.370 4.178 ( 1.971 -1.384 -1.448) 2.810 4.178 ( 1.971 1.384 -1.448) 2.810 4.257 ( -0.692 -1.156 -0.098) 1.351 4.257 ( -0.692 1.156 -0.098) 1.351 4.355 ( -0.305 -2.031 0.906) 2.245 4.355 ( -0.305 2.031 0.906) 2.245 4.432 ( -0.703 -1.713 -1.722) 2.529 4.432 ( -0.703 1.713 -1.722) 2.529 4.472 ( 1.655 -3.366 -0.900) 3.858 4.472 ( 1.655 3.366 -0.900) 3.858 4.559 ( -2.322 -4.018 -1.161) 4.784 4.559 ( -2.322 4.018 -1.161) 4.784 4.677 ( -2.497 -2.099 -3.378) 4.696 4.677 ( -2.497 2.099 -3.378) 4.696 4.776 ( -0.833 -1.482 1.168) 2.062 4.776 ( -0.833 1.482 1.168) 2.062 4.897 ( -3.132 -3.424 0.539) 4.672 4.897 ( -3.132 3.424 0.539) 4.672 4.982 ( -4.104 -3.812 -3.029) 6.368 4.982 ( -4.104 3.812 -3.029) 6.368 5.068 ( 1.645 -0.451 2.986) 3.439 5.068 ( 1.645 0.451 2.986) 3.439 5.150 ( 2.852 -2.534 -0.473) 3.844 5.150 ( 2.852 2.534 -0.473) 3.844 5.240 ( -1.036 -0.486 -0.125) 1.151 5.240 ( -1.036 0.486 -0.125) 1.151 5.341 ( -1.230 -3.981 2.016) 4.629 5.341 ( -1.230 3.981 2.016) 4.629 5.443 ( -1.478 -0.609 -0.012) 1.599 5.443 ( -1.478 0.609 -0.012) 1.599 5.492 ( -0.219 -1.859 2.335) 2.993 5.492 ( -0.219 1.859 2.335) 2.993 5.570 ( 2.670 -1.927 -1.129) 3.481 5.570 ( 2.670 1.927 -1.129) 3.481 5.651 ( 2.237 -3.399 -4.087) 5.767 5.651 ( 2.237 3.399 -4.087) 5.767 5.711 ( 1.386 -2.951 0.871) 3.375 5.711 ( 1.386 2.951 0.871) 3.375 5.875 ( 2.061 -2.702 5.417) 6.395 5.875 ( 2.061 2.702 5.417) 6.395 5.912 ( -0.771 -0.075 -2.682) 2.792 5.912 ( -0.771 0.075 -2.682) 2.792 5.971 ( 0.268 -1.506 -0.476) 1.602 5.971 ( 0.268 1.506 -0.476) 1.602 6.017 ( 0.927 -0.384 -2.325) 2.532 6.017 ( 0.927 0.384 -2.325) 2.532 6.118 ( 0.264 -0.783 -3.535) 3.631 6.118 ( 0.264 0.783 -3.535) 3.631 6.172 ( 0.940 -1.553 4.758) 5.093 6.172 ( 0.940 1.553 4.758) 5.093 6.213 ( -3.134 -0.901 3.090) 4.492 6.213 ( -3.134 0.901 3.090) 4.492 6.405 ( -2.125 -1.621 -0.650) 2.750 6.405 ( -2.125 1.621 -0.650) 2.750 6.554 ( 0.014 -2.188 1.473) 2.637 6.554 ( 0.014 2.188 1.473) 2.637 6.716 ( 0.751 -2.118 -0.584) 2.322 6.716 ( 0.751 2.118 -0.584) 2.322 6.819 ( 1.783 -5.501 -2.708) 6.386 6.819 ( 1.783 5.501 -2.708) 6.386 6.861 ( 2.906 -4.174 1.751) 5.379 6.861 ( 2.906 4.174 1.751) 5.379 6.926 ( 1.075 -2.307 -1.580) 2.996 6.926 ( 1.075 2.307 -1.580) 2.996 7.030 ( -0.935 -0.626 0.290) 1.162 7.030 ( -0.935 0.626 0.290) 1.162 7.113 ( -2.105 -3.089 1.572) 4.055 7.113 ( -2.105 3.089 1.572) 4.055 7.264 ( 0.266 -0.969 0.465) 1.108 7.264 ( 0.266 0.969 0.465) 1.108 7.492 ( -1.905 -0.958 -0.336) 2.159 7.492 ( -1.905 0.958 -0.336) 2.159 7.598 ( -1.260 -1.061 -1.612) 2.305 7.598 ( -1.260 1.061 -1.612) 2.305 9.695 ( 0.257 -0.256 -0.124) 0.383 9.695 ( 0.257 0.256 -0.124) 0.383 9.785 ( -0.775 -0.054 0.151) 0.792 9.785 ( -0.775 0.054 0.151) 0.792 9.999 ( 1.008 -0.573 0.836) 1.430 9.999 ( 1.008 0.573 0.836) 1.430 10.054 ( 1.028 -0.417 0.139) 1.117 10.054 ( 1.028 0.417 0.139) 1.117 10.525 ( 0.074 -0.661 -0.223) 0.701 10.525 ( 0.074 0.661 -0.223) 0.701 10.572 ( 0.107 -0.101 0.168) 0.224 10.572 ( 0.107 0.101 0.168) 0.224 12.515 ( 1.853 -5.907 -0.550) 6.215 12.515 ( 1.853 5.907 -0.550) 6.215 12.700 ( 0.580 -4.026 -2.741) 4.905 12.700 ( 0.580 4.026 -2.741) 4.905 12.859 ( 9.042 -8.201 5.715) 13.479 12.859 ( 9.042 8.201 5.715) 13.479 13.262 ( -7.006 -14.739 -1.121) 16.358 13.262 ( -7.006 14.739 -1.121) 16.358 13.990 ( 1.808 -4.894 0.848) 5.286 13.990 ( 1.808 4.894 0.848) 5.286 14.089 ( -1.067 -5.671 -0.541) 5.796 14.089 ( -1.067 5.671 -0.541) 5.796 14.355 ( -1.139 -1.763 -0.817) 2.252 14.355 ( -1.139 1.763 -0.817) 2.252 14.599 ( 1.834 -1.750 0.966) 2.713 14.599 ( 1.834 1.750 0.966) 2.713 14.899 ( 3.748 -6.970 0.813) 7.956 14.899 ( 3.748 6.970 0.813) 7.956 15.307 ( -10.785 -2.685 -1.840) 11.266 15.307 ( -10.785 2.685 -1.840) 11.266 ======================= Grid point 14 (9/45) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 23 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 0.000 -8.008 -0.000) 8.008 1.065 ( 0.000 8.008 0.000) 8.008 1.134 ( -0.000 -0.263 0.000) 0.263 1.134 ( 0.000 0.263 -0.000) 0.263 1.350 ( -0.000 -6.685 -0.000) 6.685 1.350 ( 0.000 6.685 0.000) 6.685 1.471 ( 0.000 -7.218 -0.000) 7.218 1.471 ( 0.000 7.218 0.000) 7.218 1.577 ( 0.000 -4.321 0.000) 4.321 1.577 ( 0.000 4.321 -0.000) 4.321 1.953 ( 0.000 -3.740 0.000) 3.740 1.953 ( 0.000 3.740 -0.000) 3.740 2.086 ( -0.000 -2.888 -0.000) 2.888 2.086 ( 0.000 2.888 0.000) 2.888 2.199 ( -0.000 -6.440 0.000) 6.440 2.199 ( 0.000 6.440 -0.000) 6.440 2.264 ( 0.000 -0.333 0.000) 0.333 2.264 ( 0.000 0.333 -0.000) 0.333 2.385 ( -0.000 -2.396 -0.000) 2.396 2.385 ( 0.000 2.396 -0.000) 2.396 2.448 ( 0.000 -3.378 0.000) 3.378 2.448 ( 0.000 3.378 0.000) 3.378 2.591 ( 0.000 -6.760 0.000) 6.760 2.591 ( 0.000 6.760 0.000) 6.760 2.674 ( 0.000 -1.139 0.000) 1.139 2.674 ( 0.000 1.139 -0.000) 1.139 2.702 ( 0.000 -4.649 0.000) 4.649 2.702 ( -0.000 4.649 0.000) 4.649 2.819 ( 0.000 -0.091 -0.000) 0.091 2.819 ( -0.000 0.091 -0.000) 0.091 2.951 ( 0.000 -16.850 0.000) 16.850 2.951 ( 0.000 16.850 -0.000) 16.850 3.009 ( 0.000 -4.792 0.000) 4.792 3.009 ( 0.000 4.792 -0.000) 4.792 3.165 ( 0.000 -5.786 0.000) 5.786 3.165 ( 0.000 5.786 -0.000) 5.786 3.218 ( 0.000 -4.619 -0.000) 4.619 3.218 ( 0.000 4.619 0.000) 4.619 3.276 ( 0.000 -6.034 -0.000) 6.034 3.276 ( 0.000 6.034 0.000) 6.034 3.383 ( 0.000 -2.189 -0.000) 2.189 3.383 ( 0.000 2.189 0.000) 2.189 3.503 ( 0.000 -0.265 -0.000) 0.265 3.503 ( 0.000 0.265 0.000) 0.265 3.553 ( 0.000 -2.396 0.000) 2.396 3.553 ( 0.000 2.396 0.000) 2.396 3.678 ( 0.000 -2.252 0.000) 2.252 3.678 ( 0.000 2.252 -0.000) 2.252 3.717 ( -0.000 -1.449 0.000) 1.449 3.717 ( 0.000 1.449 -0.000) 1.449 3.753 ( 0.000 -0.824 0.000) 0.824 3.753 ( 0.000 0.824 0.000) 0.824 3.799 ( -0.000 -4.183 0.000) 4.183 3.799 ( 0.000 4.183 -0.000) 4.183 3.872 ( 0.000 -6.219 0.000) 6.219 3.872 ( 0.000 6.219 0.000) 6.219 3.908 ( 0.000 -2.713 -0.000) 2.713 3.908 ( 0.000 2.713 0.000) 2.713 4.021 ( 0.000 -3.186 -0.000) 3.186 4.021 ( 0.000 3.186 0.000) 3.186 4.111 ( -0.000 -1.995 0.000) 1.995 4.111 ( 0.000 1.995 -0.000) 1.995 4.199 ( 0.000 -0.655 -0.000) 0.655 4.199 ( 0.000 0.655 -0.000) 0.655 4.256 ( 0.000 -0.781 0.000) 0.781 4.256 ( 0.000 0.781 0.000) 0.781 4.363 ( 0.000 -0.901 -0.000) 0.901 4.363 ( -0.000 0.901 -0.000) 0.901 4.404 ( 0.000 -2.878 0.000) 2.878 4.404 ( 0.000 2.878 -0.000) 2.878 4.499 ( 0.000 -7.225 0.000) 7.225 4.499 ( 0.000 7.225 -0.000) 7.225 4.542 ( 0.000 -0.299 -0.000) 0.299 4.542 ( 0.000 0.299 0.000) 0.299 4.654 ( 0.000 -1.226 0.000) 1.226 4.654 ( 0.000 1.226 -0.000) 1.226 4.749 ( 0.000 -0.011 0.000) 0.011 4.749 ( 0.000 0.011 -0.000) 0.011 4.856 ( -0.000 -3.265 -0.000) 3.265 4.856 ( 0.000 3.265 0.000) 3.265 4.941 ( 0.000 -0.708 -0.000) 0.708 4.941 ( 0.000 0.708 0.000) 0.708 5.088 ( 0.000 -3.102 0.000) 3.102 5.088 ( 0.000 3.102 -0.000) 3.102 5.160 ( 0.000 -1.717 0.000) 1.717 5.160 ( 0.000 1.717 0.000) 1.717 5.244 ( 0.000 -1.821 -0.000) 1.821 5.244 ( 0.000 1.821 -0.000) 1.821 5.333 ( 0.000 -4.974 0.000) 4.974 5.333 ( 0.000 4.974 -0.000) 4.974 5.422 ( 0.000 -0.502 0.000) 0.502 5.422 ( 0.000 0.502 0.000) 0.502 5.487 ( 0.000 -3.194 -0.000) 3.194 5.487 ( 0.000 3.194 -0.000) 3.194 5.616 ( 0.000 -1.882 -0.000) 1.882 5.616 ( 0.000 1.882 0.000) 1.882 5.655 ( 0.000 -5.229 0.000) 5.229 5.655 ( 0.000 5.229 -0.000) 5.229 5.777 ( 0.000 -0.713 -0.000) 0.713 5.777 ( 0.000 0.713 0.000) 0.713 5.864 ( -0.000 -0.624 0.000) 0.624 5.864 ( -0.000 0.624 -0.000) 0.624 5.917 ( 0.000 -1.336 0.000) 1.336 5.917 ( 0.000 1.336 0.000) 1.336 5.962 ( 0.000 -0.755 0.000) 0.755 5.962 ( 0.000 0.755 -0.000) 0.755 6.029 ( 0.000 -2.001 0.000) 2.001 6.029 ( 0.000 2.001 -0.000) 2.001 6.110 ( 0.000 -0.248 0.000) 0.248 6.110 ( 0.000 0.248 -0.000) 0.248 6.159 ( 0.000 -1.337 0.000) 1.337 6.159 ( 0.000 1.337 -0.000) 1.337 6.209 ( 0.000 -1.995 0.000) 1.995 6.209 ( 0.000 1.995 -0.000) 1.995 6.376 ( 0.000 -1.630 0.000) 1.630 6.376 ( 0.000 1.630 -0.000) 1.630 6.560 ( 0.000 -0.442 0.000) 0.442 6.560 ( 0.000 0.442 -0.000) 0.442 6.721 ( 0.000 -3.826 0.000) 3.826 6.721 ( 0.000 3.826 -0.000) 3.826 6.832 ( 0.000 -0.619 0.000) 0.619 6.832 ( 0.000 0.619 -0.000) 0.619 6.904 ( 0.000 -4.248 -0.000) 4.248 6.904 ( 0.000 4.248 0.000) 4.248 6.939 ( 0.000 -1.953 0.000) 1.953 6.939 ( 0.000 1.953 -0.000) 1.953 7.032 ( 0.000 -2.325 -0.000) 2.325 7.032 ( 0.000 2.325 -0.000) 2.325 7.076 ( 0.000 -1.801 -0.000) 1.801 7.076 ( -0.000 1.801 0.000) 1.801 7.268 ( 0.000 -0.900 -0.000) 0.900 7.268 ( 0.000 0.900 -0.000) 0.900 7.471 ( 0.000 -1.049 -0.000) 1.049 7.471 ( 0.000 1.049 0.000) 1.049 7.580 ( 0.000 -1.111 0.000) 1.111 7.580 ( 0.000 1.111 -0.000) 1.111 9.698 ( 0.000 -0.093 -0.000) 0.093 9.698 ( 0.000 0.093 -0.000) 0.093 9.776 ( 0.000 -0.020 -0.000) 0.020 9.776 ( 0.000 0.020 -0.000) 0.020 10.010 ( 0.000 -0.157 0.000) 0.157 10.010 ( 0.000 0.157 -0.000) 0.157 10.067 ( 0.000 -0.405 -0.000) 0.405 10.067 ( 0.000 0.405 -0.000) 0.405 10.526 ( 0.000 -0.543 -0.000) 0.543 10.526 ( 0.000 0.543 -0.000) 0.543 10.574 ( 0.000 -0.100 -0.000) 0.100 10.574 ( 0.000 0.100 0.000) 0.100 12.532 ( 0.000 -5.784 0.000) 5.784 12.532 ( 0.000 5.784 0.000) 5.784 12.699 ( 0.000 -5.293 -0.000) 5.293 12.699 ( 0.000 5.293 0.000) 5.293 13.075 ( 0.000 -8.483 0.000) 8.483 13.075 ( 0.000 8.483 0.000) 8.483 13.083 ( 0.000 -12.252 0.000) 12.252 13.083 ( -0.000 12.252 -0.000) 12.252 14.019 ( 0.000 -4.236 0.000) 4.236 14.019 ( 0.000 4.236 0.000) 4.236 14.069 ( -0.000 -6.280 -0.000) 6.280 14.069 ( -0.000 6.280 0.000) 6.280 14.341 ( 0.000 -0.455 -0.000) 0.455 14.341 ( 0.000 0.455 0.000) 0.455 14.621 ( 0.000 -2.635 0.000) 2.635 14.621 ( 0.000 2.635 0.000) 2.635 14.975 ( 0.000 -0.320 -0.000) 0.320 14.975 ( 0.000 0.320 0.000) 0.320 15.150 ( 0.000 -1.050 0.000) 1.050 15.150 ( 0.000 1.050 0.000) 1.050 ======================= Grid point 25 (10/45) ======================= q-point: ( 0.00 0.00 0.14) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( 2.822 0.000 25.002) 25.161 0.500 ( -6.669 0.000 26.554) 27.379 1.001 ( 6.096 0.000 50.917) 51.280 1.182 ( 1.361 0.000 6.432) 6.575 1.448 ( -5.933 0.000 3.450) 6.863 1.553 ( -8.564 0.000 8.611) 12.144 1.614 ( 5.433 0.000 3.841) 6.654 1.686 ( -2.396 0.000 6.902) 7.306 1.772 ( -0.544 0.000 3.188) 3.234 1.873 ( -1.770 0.000 0.549) 1.853 1.876 ( 0.703 0.000 1.137) 1.337 1.926 ( 2.046 0.000 -0.718) 2.169 1.936 ( 1.697 0.000 2.947) 3.400 2.034 ( 9.551 0.000 -5.098) 10.826 2.065 ( -3.846 0.000 -3.823) 5.422 2.215 ( -1.622 0.000 4.273) 4.570 2.254 ( 1.226 0.000 3.303) 3.524 2.313 ( -3.826 0.000 1.936) 4.288 2.435 ( -2.579 0.000 -1.676) 3.076 2.440 ( -1.525 0.000 -1.871) 2.413 2.501 ( 5.163 0.000 -0.778) 5.222 2.529 ( 2.665 0.000 3.506) 4.404 2.568 ( 3.902 0.000 0.982) 4.024 2.612 ( -1.093 0.000 0.261) 1.124 2.621 ( -2.790 0.000 -9.236) 9.648 2.685 ( -5.279 0.000 3.095) 6.120 2.696 ( -1.271 0.000 -2.931) 3.195 2.714 ( -0.187 0.000 -2.185) 2.192 2.827 ( 4.841 0.000 -0.406) 4.858 2.877 ( -5.548 0.000 -1.762) 5.821 2.927 ( 1.821 0.000 0.064) 1.822 2.931 ( 6.237 0.000 0.738) 6.281 3.030 ( -0.354 0.000 1.364) 1.409 3.073 ( 1.201 0.000 2.202) 2.509 3.094 ( 0.807 0.000 -4.129) 4.207 3.118 ( -5.365 0.000 -2.159) 5.783 3.215 ( 5.305 0.000 -2.685) 5.946 3.276 ( -3.079 0.000 1.005) 3.239 3.317 ( 1.861 0.000 -2.868) 3.419 3.323 ( 2.470 0.000 -6.111) 6.591 3.387 ( -3.731 0.000 -3.105) 4.854 3.412 ( 1.479 0.000 0.864) 1.713 3.436 ( 3.209 0.000 -4.870) 5.832 3.497 ( 1.013 0.000 -7.167) 7.239 3.518 ( 5.878 0.000 1.268) 6.013 3.540 ( 0.061 0.000 1.286) 1.288 3.546 ( 2.933 0.000 2.498) 3.853 3.561 ( -1.859 0.000 -3.678) 4.121 3.671 ( -4.789 0.000 2.170) 5.257 3.677 ( 5.158 0.000 1.153) 5.286 3.699 ( -0.363 0.000 4.598) 4.612 3.783 ( 1.637 0.000 1.514) 2.230 3.832 ( 0.602 0.000 2.193) 2.274 3.839 ( -1.486 0.000 1.740) 2.288 3.918 ( 7.357 0.000 6.926) 10.105 3.941 ( -3.557 0.000 -8.449) 9.168 3.958 ( -3.535 0.000 -6.728) 7.600 4.004 ( 0.851 0.000 -2.077) 2.245 4.037 ( 6.147 0.000 -1.022) 6.231 4.118 ( -1.709 0.000 -1.860) 2.525 4.131 ( 1.547 0.000 -2.925) 3.309 4.174 ( 1.413 0.000 4.951) 5.149 4.220 ( -1.028 0.000 1.951) 2.205 4.255 ( 2.866 0.000 0.238) 2.876 4.259 ( -1.775 0.000 0.712) 1.913 4.314 ( -1.338 0.000 4.227) 4.434 4.321 ( -0.298 0.000 4.104) 4.115 4.326 ( 1.628 0.000 2.097) 2.655 4.372 ( -1.716 0.000 -3.928) 4.286 4.489 ( -3.298 0.000 3.010) 4.465 4.508 ( 0.656 0.000 3.893) 3.948 4.525 ( 2.874 0.000 2.888) 4.074 4.579 ( 1.914 0.000 1.632) 2.515 4.579 ( -0.308 0.000 1.298) 1.334 4.705 ( -3.049 0.000 1.637) 3.461 4.708 ( -1.558 0.000 -2.233) 2.723 4.725 ( -0.682 0.000 1.058) 1.259 4.775 ( 1.571 0.000 -0.504) 1.650 4.781 ( -2.299 0.000 -2.782) 3.609 4.867 ( -5.844 0.000 4.811) 7.569 4.947 ( 3.263 0.000 -4.001) 5.163 4.986 ( -0.951 0.000 3.270) 3.405 5.030 ( 2.814 0.000 4.200) 5.055 5.041 ( 2.710 0.000 0.189) 2.716 5.088 ( -1.913 0.000 -0.316) 1.939 5.112 ( -3.623 0.000 3.218) 4.845 5.198 ( -0.344 0.000 -2.514) 2.537 5.235 ( -0.748 0.000 0.572) 0.942 5.309 ( 0.605 0.000 2.204) 2.286 5.355 ( -1.719 0.000 2.783) 3.271 5.373 ( 4.143 0.000 -3.558) 5.461 5.422 ( 3.154 0.000 -4.874) 5.805 5.440 ( 2.006 0.000 0.740) 2.138 5.475 ( -1.045 0.000 1.048) 1.480 5.505 ( -3.806 0.000 1.282) 4.016 5.552 ( -1.137 0.000 1.876) 2.194 5.601 ( 0.443 0.000 3.199) 3.230 5.606 ( -2.407 0.000 1.375) 2.772 5.706 ( -1.552 0.000 -1.048) 1.873 5.731 ( 0.250 0.000 -7.164) 7.168 5.804 ( 2.440 0.000 3.847) 4.555 5.848 ( 1.211 0.000 -2.560) 2.832 5.851 ( 5.474 0.000 -3.906) 6.725 5.876 ( -1.217 0.000 1.278) 1.765 5.965 ( -2.078 0.000 0.024) 2.078 6.000 ( -0.412 0.000 -3.317) 3.343 6.009 ( -1.589 0.000 -1.999) 2.554 6.037 ( 2.287 0.000 -2.482) 3.376 6.068 ( 4.837 0.000 4.597) 6.673 6.118 ( -1.650 0.000 -0.821) 1.843 6.177 ( 2.161 0.000 1.638) 2.712 6.206 ( -1.454 0.000 2.730) 3.093 6.263 ( -1.810 0.000 2.245) 2.884 6.296 ( 4.298 0.000 -4.933) 6.543 6.400 ( 8.601 0.000 -4.868) 9.883 6.427 ( -1.251 0.000 -4.010) 4.200 6.482 ( 0.932 0.000 0.003) 0.932 6.483 ( 1.777 0.000 -1.159) 2.121 6.625 ( -2.174 0.000 -5.803) 6.197 6.653 ( 0.549 0.000 -0.457) 0.714 6.702 ( -0.434 0.000 -1.633) 1.690 6.713 ( -0.134 0.000 -1.474) 1.481 6.787 ( -0.308 0.000 -3.874) 3.887 6.896 ( -1.229 0.000 3.688) 3.887 7.018 ( -2.491 0.000 -0.093) 2.493 7.028 ( 0.875 0.000 -0.169) 0.892 7.059 ( 0.606 0.000 3.105) 3.163 7.101 ( 1.629 0.000 0.945) 1.884 7.137 ( -6.288 0.000 -3.949) 7.426 7.208 ( 1.349 0.000 -2.940) 3.235 7.228 ( 0.694 0.000 -2.849) 2.932 7.422 ( -16.545 0.000 -2.342) 16.710 7.446 ( 0.561 0.000 0.926) 1.083 7.468 ( -0.124 0.000 -1.724) 1.728 7.583 ( 0.189 0.000 -0.949) 0.967 7.628 ( -0.637 0.000 -1.523) 1.651 9.686 ( -0.426 0.000 0.134) 0.446 9.703 ( -0.043 0.000 -0.266) 0.269 9.795 ( 0.530 0.000 0.107) 0.541 9.799 ( -0.593 0.000 -0.111) 0.603 9.979 ( 2.314 0.000 1.075) 2.551 10.028 ( 0.276 0.000 1.201) 1.232 10.045 ( -0.088 0.000 0.940) 0.944 10.070 ( -0.038 0.000 1.138) 1.138 10.503 ( -0.197 0.000 0.533) 0.568 10.543 ( -0.223 0.000 0.147) 0.268 10.583 ( -0.046 0.000 1.055) 1.056 10.585 ( -0.116 0.000 1.195) 1.200 12.487 ( -0.070 0.000 -0.133) 0.150 12.619 ( -8.118 0.000 4.306) 9.189 12.701 ( -9.820 0.000 -1.566) 9.944 12.720 ( -1.846 0.000 2.344) 2.984 12.942 ( 0.276 0.000 7.940) 7.945 13.022 ( 0.130 0.000 -1.025) 1.034 13.573 ( 2.123 0.000 -15.131) 15.280 13.796 ( 23.002 0.000 -6.046) 23.783 14.041 ( 11.257 0.000 6.100) 12.803 14.067 ( 3.296 0.000 8.548) 9.161 14.121 ( 0.052 0.000 2.799) 2.800 14.253 ( 0.683 0.000 0.081) 0.687 14.322 ( 0.999 0.000 0.201) 1.019 14.344 ( 0.783 0.000 -0.417) 0.887 14.347 ( -2.053 0.000 0.630) 2.148 14.448 ( -0.877 0.000 4.264) 4.353 14.551 ( -2.091 0.000 -1.974) 2.875 14.724 ( 0.073 0.000 -0.519) 0.524 14.975 ( 1.740 0.000 -3.022) 3.487 15.317 ( -0.036 0.000 -6.336) 6.336 ======================= Grid point 26 (11/45) ======================= q-point: ( 0.25 0.00 0.14) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( 19.530 0.000 13.811) 23.920 0.737 ( 15.332 0.000 20.205) 25.363 1.170 ( -6.966 0.000 3.439) 7.769 1.234 ( -17.120 0.000 4.538) 17.711 1.331 ( -9.483 0.000 12.555) 15.734 1.465 ( 16.285 0.000 32.302) 36.174 1.680 ( -2.420 0.000 5.890) 6.368 1.683 ( -4.684 0.000 4.593) 6.560 1.695 ( 1.185 0.000 1.880) 2.222 1.810 ( -0.359 0.000 -0.095) 0.371 1.853 ( -2.264 0.000 -2.110) 3.094 1.935 ( -0.078 0.000 1.687) 1.689 2.005 ( 4.517 0.000 4.771) 6.570 2.099 ( 5.199 0.000 -4.772) 7.058 2.142 ( 2.990 0.000 -4.749) 5.611 2.197 ( -7.245 0.000 9.653) 12.069 2.254 ( -2.753 0.000 1.937) 3.366 2.306 ( -5.848 0.000 -0.209) 5.852 2.347 ( 3.783 0.000 3.638) 5.249 2.387 ( -1.132 0.000 -1.944) 2.250 2.495 ( -5.620 0.000 -4.944) 7.486 2.562 ( -1.343 0.000 8.002) 8.114 2.568 ( -1.438 0.000 1.576) 2.133 2.598 ( 2.309 0.000 -0.450) 2.353 2.610 ( 0.042 0.000 -5.187) 5.187 2.633 ( -1.318 0.000 3.949) 4.164 2.634 ( -2.343 0.000 -0.096) 2.345 2.719 ( -2.443 0.000 -1.059) 2.663 2.772 ( -6.414 0.000 -0.841) 6.468 2.815 ( 1.912 0.000 0.519) 1.981 2.948 ( -5.796 0.000 -6.447) 8.669 2.967 ( 2.003 0.000 -0.118) 2.006 3.051 ( 1.242 0.000 -2.390) 2.694 3.063 ( 2.912 0.000 -0.935) 3.058 3.105 ( 2.489 0.000 -1.766) 3.052 3.136 ( 4.092 0.000 -2.684) 4.893 3.211 ( -1.231 0.000 -3.246) 3.471 3.284 ( -3.164 0.000 -4.668) 5.640 3.302 ( 0.910 0.000 -8.405) 8.454 3.311 ( 2.761 0.000 -1.028) 2.947 3.400 ( -2.135 0.000 1.623) 2.682 3.444 ( 1.068 0.000 0.104) 1.073 3.490 ( 3.627 0.000 0.549) 3.668 3.499 ( 1.624 0.000 -8.066) 8.228 3.543 ( 4.204 0.000 3.316) 5.354 3.552 ( -2.852 0.000 -1.943) 3.451 3.573 ( 1.282 0.000 0.878) 1.554 3.619 ( 2.053 0.000 -0.268) 2.070 3.698 ( -1.102 0.000 -3.601) 3.765 3.701 ( 6.311 0.000 -3.069) 7.017 3.753 ( 2.981 0.000 -2.284) 3.756 3.802 ( -4.272 0.000 -5.894) 7.280 3.816 ( -0.863 0.000 3.605) 3.707 3.824 ( -0.717 0.000 2.486) 2.588 3.868 ( 2.730 0.000 -0.999) 2.907 3.924 ( 0.929 0.000 -3.775) 3.888 3.947 ( -3.381 0.000 -1.142) 3.568 4.013 ( -3.391 0.000 -4.244) 5.432 4.044 ( -4.400 0.000 -1.332) 4.598 4.103 ( 1.147 0.000 0.487) 1.246 4.139 ( -2.717 0.000 3.481) 4.416 4.189 ( 0.922 0.000 -4.029) 4.134 4.213 ( 2.832 0.000 6.388) 6.988 4.241 ( -1.562 0.000 1.176) 1.955 4.296 ( -0.112 0.000 5.189) 5.191 4.299 ( -2.817 0.000 2.471) 3.747 4.319 ( 2.527 0.000 1.658) 3.022 4.398 ( 1.263 0.000 1.099) 1.674 4.422 ( 2.362 0.000 4.638) 5.205 4.493 ( 4.721 0.000 3.968) 6.167 4.499 ( 0.521 0.000 3.516) 3.555 4.554 ( -2.216 0.000 2.949) 3.689 4.555 ( -1.495 0.000 0.590) 1.608 4.616 ( 1.973 0.000 -1.907) 2.744 4.632 ( -3.842 0.000 1.917) 4.294 4.665 ( 0.907 0.000 -0.980) 1.335 4.714 ( 0.610 0.000 -4.122) 4.167 4.766 ( -0.558 0.000 0.492) 0.744 4.783 ( -1.915 0.000 -0.672) 2.029 4.815 ( 0.452 0.000 0.458) 0.643 4.965 ( -2.355 0.000 3.130) 3.916 4.984 ( -5.177 0.000 -2.955) 5.961 5.004 ( 2.240 0.000 -1.867) 2.916 5.073 ( 1.087 0.000 5.334) 5.444 5.104 ( 1.574 0.000 -0.136) 1.580 5.109 ( 2.411 0.000 2.186) 3.254 5.196 ( -1.280 0.000 -2.097) 2.457 5.213 ( -2.171 0.000 2.258) 3.133 5.308 ( -2.282 0.000 2.617) 3.472 5.353 ( 3.117 0.000 1.335) 3.391 5.426 ( -1.331 0.000 -1.679) 2.143 5.470 ( 3.555 0.000 -2.722) 4.477 5.489 ( 6.578 0.000 -2.846) 7.168 5.496 ( 2.709 0.000 -0.335) 2.730 5.514 ( 3.036 0.000 2.185) 3.740 5.517 ( -3.751 0.000 2.795) 4.677 5.619 ( 0.996 0.000 -0.942) 1.371 5.624 ( -0.562 0.000 0.846) 1.016 5.652 ( -0.181 0.000 3.589) 3.594 5.715 ( 1.526 0.000 -10.093) 10.208 5.820 ( -2.217 0.000 1.077) 2.465 5.829 ( -0.705 0.000 1.748) 1.885 5.874 ( -2.066 0.000 -2.299) 3.091 5.917 ( 3.187 0.000 1.085) 3.367 5.950 ( 0.239 0.000 -0.288) 0.375 5.959 ( -3.164 0.000 -5.053) 5.962 5.965 ( -1.705 0.000 -1.855) 2.520 6.055 ( 0.686 0.000 -3.075) 3.151 6.120 ( -0.121 0.000 2.190) 2.193 6.129 ( -1.612 0.000 1.382) 2.124 6.162 ( -2.263 0.000 2.907) 3.684 6.221 ( 1.808 0.000 0.019) 1.809 6.290 ( 1.293 0.000 1.424) 1.923 6.335 ( 1.301 0.000 -5.179) 5.340 6.393 ( -0.680 0.000 -2.115) 2.222 6.448 ( -1.979 0.000 0.773) 2.125 6.488 ( -0.196 0.000 -2.590) 2.598 6.597 ( 0.765 0.000 -6.005) 6.053 6.634 ( 10.712 0.000 -9.803) 14.521 6.670 ( 1.095 0.000 0.757) 1.331 6.682 ( -0.652 0.000 -2.816) 2.891 6.729 ( 3.357 0.000 -2.915) 4.447 6.779 ( 1.056 0.000 -4.459) 4.583 6.816 ( -9.621 0.000 7.364) 12.116 6.920 ( -1.207 0.000 2.099) 2.421 6.973 ( -1.993 0.000 0.909) 2.190 7.065 ( -0.091 0.000 0.805) 0.810 7.071 ( -0.170 0.000 2.272) 2.278 7.127 ( 0.442 0.000 1.619) 1.678 7.211 ( -0.697 0.000 -3.442) 3.512 7.235 ( 0.735 0.000 -2.672) 2.771 7.315 ( 1.879 0.000 -1.151) 2.203 7.456 ( -0.055 0.000 0.089) 0.105 7.468 ( 0.583 0.000 -0.840) 1.022 7.592 ( 0.829 0.000 0.562) 1.002 7.600 ( -1.196 0.000 -2.143) 2.455 9.685 ( 0.358 0.000 -0.210) 0.415 9.701 ( 0.005 0.000 -0.209) 0.209 9.783 ( -0.774 0.000 -0.230) 0.807 9.793 ( -0.748 0.000 0.467) 0.882 10.016 ( 0.838 0.000 0.627) 1.047 10.040 ( 0.328 0.000 1.102) 1.150 10.046 ( -0.062 0.000 0.873) 0.876 10.079 ( 0.476 0.000 1.004) 1.111 10.508 ( 0.415 0.000 0.465) 0.623 10.541 ( -0.000 0.000 0.058) 0.058 10.582 ( -0.361 0.000 1.120) 1.177 10.587 ( -0.065 0.000 1.370) 1.372 12.504 ( -3.689 0.000 7.486) 8.345 12.567 ( 8.214 0.000 -0.342) 8.221 12.636 ( -1.299 0.000 5.683) 5.829 12.709 ( 0.109 0.000 1.921) 1.924 12.947 ( -7.261 0.000 -0.993) 7.329 12.960 ( -1.591 0.000 8.691) 8.836 13.542 ( -0.996 0.000 -16.476) 16.506 13.769 ( -5.104 0.000 -9.321) 10.627 14.031 ( -2.159 0.000 8.041) 8.325 14.135 ( 0.363 0.000 2.447) 2.474 14.250 ( -2.242 0.000 5.776) 6.196 14.256 ( -0.745 0.000 0.341) 0.819 14.308 ( -1.045 0.000 -2.140) 2.381 14.347 ( 0.811 0.000 2.954) 3.064 14.371 ( 1.680 0.000 -0.138) 1.686 14.446 ( -0.615 0.000 4.009) 4.056 14.505 ( -1.964 0.000 -2.458) 3.146 14.723 ( -0.009 0.000 -0.448) 0.448 15.047 ( 6.501 0.000 -2.804) 7.080 15.253 ( -4.441 0.000 -6.421) 7.807 ======================= Grid point 27 (12/45) ======================= q-point: (-0.50 0.00 0.14) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( -21.199 0.000 1.125) 21.229 0.886 ( -20.137 0.000 7.076) 21.343 1.095 ( 15.249 0.000 15.393) 21.668 1.126 ( 16.962 0.000 4.874) 17.648 1.335 ( -0.075 0.000 7.223) 7.223 1.459 ( -3.597 0.000 7.970) 8.744 1.582 ( -5.132 0.000 0.995) 5.227 1.746 ( -27.569 0.000 13.933) 30.890 1.755 ( 3.069 0.000 6.394) 7.092 1.806 ( -3.545 0.000 -0.779) 3.629 1.853 ( 0.034 0.000 -1.118) 1.118 1.963 ( 1.372 0.000 3.806) 4.045 2.044 ( -2.380 0.000 2.505) 3.455 2.076 ( 16.906 0.000 21.668) 27.483 2.157 ( 0.896 0.000 -3.036) 3.165 2.198 ( -2.267 0.000 1.167) 2.550 2.213 ( 1.975 0.000 -0.880) 2.162 2.292 ( 7.087 0.000 -0.918) 7.146 2.384 ( -0.679 0.000 1.303) 1.469 2.384 ( -3.749 0.000 1.226) 3.944 2.451 ( 0.555 0.000 0.444) 0.711 2.529 ( -1.979 0.000 6.115) 6.427 2.574 ( 0.198 0.000 6.589) 6.592 2.586 ( -0.095 0.000 -5.165) 5.165 2.606 ( -1.175 0.000 -2.245) 2.534 2.613 ( -2.943 0.000 -3.108) 4.280 2.689 ( 2.729 0.000 1.297) 3.022 2.701 ( 4.544 0.000 3.541) 5.761 2.702 ( 3.277 0.000 -1.347) 3.543 2.833 ( -2.710 0.000 -0.800) 2.826 2.901 ( 4.026 0.000 0.741) 4.094 2.981 ( 0.946 0.000 -1.450) 1.731 3.048 ( -3.723 0.000 -5.190) 6.388 3.067 ( -1.138 0.000 -5.114) 5.239 3.098 ( -3.333 0.000 1.488) 3.650 3.174 ( 1.212 0.000 -6.177) 6.295 3.189 ( 0.258 0.000 -2.883) 2.895 3.243 ( 2.361 0.000 -6.135) 6.574 3.331 ( -1.557 0.000 -2.004) 2.538 3.353 ( 4.126 0.000 0.328) 4.139 3.399 ( 4.559 0.000 -1.247) 4.727 3.427 ( -2.583 0.000 -3.860) 4.645 3.493 ( 0.087 0.000 -9.148) 9.148 3.524 ( -5.193 0.000 -2.577) 5.798 3.527 ( -0.156 0.000 -2.624) 2.629 3.559 ( 1.302 0.000 -0.181) 1.314 3.592 ( -1.807 0.000 -3.246) 3.715 3.595 ( 0.912 0.000 1.782) 2.002 3.688 ( -1.612 0.000 -3.394) 3.758 3.731 ( 1.837 0.000 -3.455) 3.913 3.733 ( -2.113 0.000 -2.580) 3.335 3.753 ( -1.205 0.000 0.813) 1.454 3.815 ( -3.504 0.000 -1.570) 3.840 3.830 ( 0.554 0.000 -1.758) 1.844 3.884 ( 1.723 0.000 1.950) 2.602 3.903 ( 0.362 0.000 0.915) 0.984 3.963 ( 2.947 0.000 -0.057) 2.948 3.980 ( -0.557 0.000 3.741) 3.783 4.017 ( 1.999 0.000 -1.650) 2.592 4.064 ( -5.208 0.000 4.602) 6.950 4.140 ( 1.373 0.000 0.827) 1.603 4.186 ( -0.099 0.000 -4.420) 4.421 4.200 ( 0.830 0.000 -1.132) 1.404 4.244 ( -4.824 0.000 1.709) 5.118 4.258 ( 3.085 0.000 0.160) 3.090 4.322 ( 0.685 0.000 3.149) 3.223 4.327 ( -4.663 0.000 1.604) 4.931 4.407 ( -0.753 0.000 5.345) 5.398 4.436 ( 2.016 0.000 2.763) 3.420 4.478 ( -5.527 0.000 -2.740) 6.169 4.510 ( -1.266 0.000 1.471) 1.941 4.537 ( -1.055 0.000 2.436) 2.654 4.587 ( -1.318 0.000 0.918) 1.606 4.630 ( 5.018 0.000 1.188) 5.156 4.663 ( 0.723 0.000 4.395) 4.454 4.692 ( 1.060 0.000 0.308) 1.104 4.734 ( 0.612 0.000 -1.637) 1.748 4.742 ( -1.734 0.000 1.569) 2.338 4.788 ( 5.302 0.000 -1.637) 5.549 4.876 ( 3.983 0.000 2.194) 4.547 4.923 ( 1.690 0.000 -1.363) 2.171 4.931 ( -1.912 0.000 2.394) 3.064 5.003 ( -1.854 0.000 3.187) 3.687 5.063 ( -3.724 0.000 -1.877) 4.171 5.125 ( -4.702 0.000 -0.319) 4.713 5.147 ( 3.444 0.000 3.453) 4.876 5.160 ( 2.245 0.000 0.076) 2.246 5.225 ( 1.317 0.000 3.208) 3.468 5.295 ( 0.000 0.000 0.924) 0.924 5.394 ( -0.111 0.000 -0.184) 0.215 5.404 ( 0.650 0.000 -2.230) 2.323 5.449 ( -4.100 0.000 4.486) 6.077 5.468 ( -4.664 0.000 -0.875) 4.745 5.495 ( -2.094 0.000 -0.058) 2.095 5.536 ( 0.829 0.000 2.355) 2.497 5.596 ( 1.939 0.000 -2.684) 3.311 5.638 ( 2.634 0.000 -6.116) 6.659 5.661 ( 7.036 0.000 3.279) 7.762 5.712 ( -0.003 0.000 -7.017) 7.017 5.750 ( -0.222 0.000 1.921) 1.934 5.802 ( 0.813 0.000 -3.037) 3.144 5.808 ( 3.770 0.000 -7.462) 8.360 5.810 ( -3.424 0.000 1.282) 3.656 5.892 ( -1.324 0.000 0.400) 1.383 5.933 ( 0.345 0.000 3.610) 3.626 5.943 ( 0.112 0.000 -0.170) 0.204 5.992 ( 1.790 0.000 -1.719) 2.482 6.057 ( 1.406 0.000 -4.906) 5.104 6.082 ( -1.660 0.000 -2.437) 2.949 6.087 ( -2.874 0.000 1.364) 3.182 6.152 ( -1.459 0.000 4.866) 5.080 6.229 ( -0.901 0.000 -0.774) 1.188 6.274 ( -2.915 0.000 5.545) 6.265 6.311 ( -2.157 0.000 -4.698) 5.169 6.367 ( -5.530 0.000 6.799) 8.764 6.412 ( 2.112 0.000 2.028) 2.928 6.459 ( -0.995 0.000 -3.713) 3.844 6.576 ( -1.201 0.000 -5.660) 5.786 6.656 ( -0.471 0.000 -3.286) 3.320 6.681 ( 1.028 0.000 -4.910) 5.017 6.701 ( 1.436 0.000 -1.696) 2.222 6.769 ( 1.105 0.000 -1.898) 2.196 6.801 ( 1.881 0.000 -2.771) 3.349 6.869 ( 6.251 0.000 -4.375) 7.630 6.938 ( 2.585 0.000 -2.562) 3.639 6.959 ( 0.391 0.000 1.258) 1.317 7.065 ( 0.897 0.000 -1.202) 1.500 7.071 ( -0.285 0.000 1.712) 1.735 7.122 ( -1.603 0.000 1.968) 2.538 7.198 ( 0.914 0.000 -4.104) 4.204 7.236 ( 0.218 0.000 -2.732) 2.741 7.369 ( 3.235 0.000 0.532) 3.278 7.463 ( 1.391 0.000 1.715) 2.208 7.476 ( 0.323 0.000 -0.859) 0.918 7.594 ( 1.317 0.000 -1.418) 1.935 7.609 ( 0.554 0.000 1.257) 1.374 9.694 ( 0.555 0.000 -0.237) 0.603 9.701 ( 0.057 0.000 -0.173) 0.182 9.776 ( 0.187 0.000 0.062) 0.197 9.778 ( -0.711 0.000 0.380) 0.806 10.016 ( -1.036 0.000 0.769) 1.291 10.041 ( -0.511 0.000 0.742) 0.901 10.047 ( -0.205 0.000 0.770) 0.796 10.084 ( -0.344 0.000 0.834) 0.902 10.515 ( 0.059 0.000 0.471) 0.475 10.543 ( 0.133 0.000 0.264) 0.296 10.578 ( -0.335 0.000 1.115) 1.164 10.589 ( -0.274 0.000 1.305) 1.333 12.498 ( 0.469 0.000 11.933) 11.942 12.677 ( 2.516 0.000 10.251) 10.555 12.718 ( 0.649 0.000 0.840) 1.061 12.748 ( 1.305 0.000 2.995) 3.267 12.785 ( -0.736 0.000 -1.876) 2.015 12.943 ( -2.691 0.000 7.188) 7.675 13.422 ( -6.261 0.000 -20.475) 21.411 13.659 ( -2.904 0.000 -13.170) 13.487 14.022 ( -1.370 0.000 6.120) 6.271 14.139 ( -0.874 0.000 2.022) 2.203 14.184 ( -5.628 0.000 9.213) 10.797 14.234 ( -0.695 0.000 -0.452) 0.829 14.302 ( 0.502 0.000 -1.521) 1.602 14.367 ( 0.257 0.000 3.163) 3.173 14.403 ( -0.598 0.000 -0.469) 0.760 14.449 ( -0.516 0.000 4.360) 4.391 14.475 ( 1.653 0.000 -1.233) 2.062 14.722 ( 0.088 0.000 -0.493) 0.501 15.128 ( -5.173 0.000 -5.394) 7.473 15.179 ( 6.727 0.000 -3.977) 7.814 ======================= Grid point 28 (13/45) ======================= q-point: (-0.25 0.00 0.14) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( -9.198 0.000 22.277) 24.101 0.558 ( -16.783 0.000 15.588) 22.906 1.154 ( -19.265 0.000 15.327) 24.618 1.210 ( -17.351 0.000 19.496) 26.099 1.382 ( 10.381 0.000 10.159) 14.525 1.505 ( 4.183 0.000 14.477) 15.069 1.537 ( -0.149 0.000 2.536) 2.541 1.555 ( 14.105 0.000 1.410) 14.175 1.764 ( -6.869 0.000 1.532) 7.037 1.814 ( 2.815 0.000 0.951) 2.972 1.842 ( 4.725 0.000 3.214) 5.715 1.951 ( -2.548 0.000 1.630) 3.025 1.959 ( -5.791 0.000 0.137) 5.792 2.115 ( -7.252 0.000 -6.180) 9.528 2.187 ( -2.348 0.000 -1.104) 2.595 2.241 ( -2.763 0.000 2.276) 3.580 2.260 ( -0.941 0.000 3.074) 3.215 2.343 ( 3.929 0.000 -0.797) 4.009 2.364 ( -1.638 0.000 2.280) 2.807 2.401 ( 3.412 0.000 1.408) 3.691 2.447 ( 2.035 0.000 1.757) 2.688 2.530 ( -2.144 0.000 1.380) 2.549 2.568 ( -0.614 0.000 1.839) 1.939 2.587 ( 2.022 0.000 -2.104) 2.918 2.628 ( 3.970 0.000 -0.850) 4.060 2.685 ( 6.100 0.000 -2.911) 6.759 2.728 ( -0.123 0.000 -0.896) 0.904 2.766 ( -1.308 0.000 2.323) 2.666 2.794 ( 6.296 0.000 2.652) 6.832 2.835 ( 3.532 0.000 1.781) 3.956 2.870 ( -8.081 0.000 -6.302) 10.248 2.984 ( -3.605 0.000 -0.573) 3.650 3.013 ( 4.769 0.000 -0.643) 4.812 3.023 ( 3.159 0.000 0.404) 3.185 3.068 ( -1.608 0.000 0.571) 1.707 3.183 ( -0.214 0.000 -0.907) 0.932 3.191 ( 2.115 0.000 -6.527) 6.861 3.253 ( 0.931 0.000 -3.450) 3.574 3.316 ( -5.186 0.000 0.291) 5.194 3.369 ( 5.637 0.000 -0.561) 5.665 3.413 ( -1.196 0.000 -0.739) 1.406 3.422 ( -2.834 0.000 -5.171) 5.897 3.433 ( 1.662 0.000 -8.682) 8.839 3.468 ( -3.531 0.000 -3.730) 5.136 3.505 ( 0.829 0.000 -2.764) 2.886 3.534 ( -0.684 0.000 -6.760) 6.795 3.555 ( -1.312 0.000 0.700) 1.488 3.642 ( -3.828 0.000 -4.231) 5.706 3.657 ( 0.570 0.000 -4.029) 4.069 3.673 ( -1.211 0.000 6.105) 6.224 3.711 ( -1.930 0.000 5.483) 5.813 3.729 ( 3.487 0.000 1.375) 3.749 3.799 ( -3.093 0.000 -1.074) 3.274 3.866 ( 1.737 0.000 5.052) 5.342 3.899 ( 3.150 0.000 -2.060) 3.764 3.899 ( -3.231 0.000 2.178) 3.896 3.991 ( 0.382 0.000 -4.316) 4.333 4.009 ( 3.382 0.000 0.292) 3.394 4.039 ( -0.125 0.000 -6.408) 6.410 4.069 ( 5.406 0.000 7.505) 9.250 4.125 ( -4.892 0.000 -5.270) 7.190 4.157 ( 0.790 0.000 -2.316) 2.447 4.205 ( 1.113 0.000 -0.694) 1.311 4.236 ( -3.775 0.000 1.554) 4.082 4.266 ( 5.536 0.000 -0.711) 5.582 4.295 ( -2.129 0.000 3.258) 3.892 4.348 ( -3.707 0.000 -0.187) 3.712 4.371 ( -4.989 0.000 7.543) 9.044 4.393 ( 4.271 0.000 3.426) 5.475 4.482 ( 1.658 0.000 0.290) 1.683 4.487 ( -1.442 0.000 1.630) 2.176 4.495 ( -3.832 0.000 0.990) 3.958 4.577 ( -0.676 0.000 3.757) 3.818 4.623 ( -3.075 0.000 -2.387) 3.893 4.690 ( 1.341 0.000 2.123) 2.511 4.710 ( 0.343 0.000 0.260) 0.430 4.747 ( 0.552 0.000 -1.127) 1.255 4.768 ( 1.190 0.000 6.792) 6.896 4.824 ( -1.303 0.000 -1.875) 2.284 4.916 ( 0.375 0.000 1.971) 2.006 4.939 ( 1.119 0.000 -1.519) 1.887 4.974 ( -0.807 0.000 3.877) 3.960 5.003 ( -1.694 0.000 0.617) 1.803 5.027 ( 2.098 0.000 1.737) 2.724 5.051 ( 0.816 0.000 0.316) 0.875 5.186 ( -4.563 0.000 2.996) 5.459 5.193 ( 1.519 0.000 -1.501) 2.136 5.220 ( 2.446 0.000 1.758) 3.013 5.340 ( 2.897 0.000 -0.586) 2.956 5.350 ( -3.727 0.000 2.076) 4.267 5.366 ( -3.691 0.000 -2.635) 4.535 5.390 ( -1.105 0.000 3.171) 3.358 5.452 ( -2.593 0.000 0.243) 2.604 5.459 ( 3.151 0.000 -1.696) 3.578 5.551 ( 0.403 0.000 2.945) 2.972 5.572 ( -3.178 0.000 -3.128) 4.459 5.628 ( -3.392 0.000 -0.845) 3.495 5.700 ( -2.089 0.000 -5.101) 5.512 5.714 ( 3.045 0.000 -4.696) 5.597 5.740 ( 0.152 0.000 -0.952) 0.964 5.754 ( -2.368 0.000 4.015) 4.661 5.821 ( -1.038 0.000 -1.094) 1.509 5.824 ( 2.462 0.000 -5.803) 6.304 5.926 ( -3.540 0.000 0.320) 3.555 5.933 ( 4.333 0.000 -1.071) 4.463 5.987 ( 1.362 0.000 0.517) 1.457 5.988 ( 1.720 0.000 -1.265) 2.135 6.053 ( -1.376 0.000 -0.600) 1.501 6.082 ( -2.946 0.000 3.558) 4.619 6.112 ( 4.179 0.000 -3.473) 5.434 6.155 ( 5.485 0.000 3.122) 6.312 6.192 ( -3.395 0.000 0.486) 3.430 6.253 ( -0.274 0.000 -3.645) 3.655 6.266 ( 1.272 0.000 2.104) 2.459 6.310 ( -2.309 0.000 3.391) 4.102 6.446 ( 0.291 0.000 -2.055) 2.075 6.456 ( 1.726 0.000 -0.070) 1.728 6.524 ( -2.658 0.000 -4.723) 5.419 6.648 ( 0.575 0.000 -3.093) 3.146 6.680 ( -0.121 0.000 -7.055) 7.056 6.709 ( 0.170 0.000 -1.781) 1.789 6.738 ( -2.655 0.000 -0.686) 2.742 6.806 ( -0.485 0.000 -1.931) 1.991 6.914 ( -1.211 0.000 2.172) 2.486 6.980 ( 3.512 0.000 -1.471) 3.808 7.000 ( 3.149 0.000 0.467) 3.184 7.075 ( -0.233 0.000 2.016) 2.030 7.084 ( -2.314 0.000 1.368) 2.688 7.116 ( 4.900 0.000 -6.527) 8.161 7.211 ( 1.224 0.000 -4.315) 4.485 7.229 ( 0.165 0.000 -2.881) 2.886 7.415 ( 1.815 0.000 0.037) 1.816 7.475 ( 0.046 0.000 -1.718) 1.718 7.541 ( 4.585 0.000 1.523) 4.832 7.616 ( -0.361 0.000 -0.766) 0.847 7.623 ( 1.489 0.000 -0.834) 1.707 9.695 ( -0.470 0.000 0.205) 0.512 9.702 ( 0.107 0.000 -0.179) 0.209 9.779 ( 0.787 0.000 -0.077) 0.791 9.789 ( 1.080 0.000 0.296) 1.120 9.984 ( -2.441 0.000 0.729) 2.547 10.030 ( -0.722 0.000 0.809) 1.084 10.045 ( -0.203 0.000 0.839) 0.863 10.075 ( -0.737 0.000 0.980) 1.226 10.511 ( -0.605 0.000 0.553) 0.820 10.545 ( -0.047 0.000 0.372) 0.375 10.579 ( 0.037 0.000 1.035) 1.036 10.586 ( -0.356 0.000 1.113) 1.169 12.569 ( -8.169 0.000 -0.316) 8.175 12.619 ( 4.829 0.000 12.749) 13.632 12.745 ( -1.221 0.000 4.207) 4.380 12.818 ( 11.344 0.000 18.026) 21.298 12.917 ( 0.557 0.000 4.974) 5.005 12.952 ( 6.399 0.000 0.134) 6.401 13.204 ( -5.646 0.000 -12.919) 14.099 13.592 ( 0.390 0.000 -14.801) 14.806 14.008 ( -1.855 0.000 3.582) 4.034 14.114 ( -4.916 0.000 8.780) 10.062 14.123 ( -1.106 0.000 2.336) 2.584 14.237 ( 0.824 0.000 -0.191) 0.846 14.308 ( 0.602 0.000 -0.861) 1.050 14.361 ( -2.108 0.000 -0.587) 2.188 14.371 ( -0.828 0.000 2.041) 2.202 14.451 ( -0.798 0.000 4.606) 4.675 14.538 ( 3.570 0.000 -1.199) 3.766 14.723 ( 0.177 0.000 -0.560) 0.587 15.013 ( -4.272 0.000 -4.397) 6.130 15.285 ( 5.093 0.000 -5.120) 7.222 ======================= Grid point 29 (14/45) ======================= q-point: ( 0.00 0.25 0.14) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( -4.575 15.097 19.277) 24.909 0.760 ( 1.029 17.454 17.973) 25.075 1.177 ( 1.198 -0.289 7.521) 7.621 1.278 ( 1.316 20.260 28.819) 35.252 1.424 ( -0.632 -1.696 3.301) 3.765 1.505 ( -6.198 -0.329 8.586) 10.594 1.552 ( 1.804 -12.720 2.385) 13.067 1.601 ( 0.816 -6.724 3.299) 7.534 1.690 ( 0.112 -6.631 6.261) 9.120 1.800 ( -7.180 -0.564 1.445) 7.346 1.890 ( 2.720 2.219 3.505) 4.960 1.893 ( -7.390 2.071 0.298) 7.681 1.980 ( 1.732 3.072 2.508) 4.327 2.014 ( -0.000 -0.885 1.776) 1.984 2.162 ( 8.663 1.306 -3.915) 9.596 2.236 ( 2.637 -0.625 4.802) 5.514 2.267 ( 0.826 -2.724 0.001) 2.847 2.363 ( -1.067 6.939 -2.207) 7.359 2.405 ( -4.403 3.660 -0.481) 5.745 2.433 ( -2.666 -2.927 -2.817) 4.859 2.454 ( 4.452 -4.813 0.041) 6.556 2.528 ( 2.300 0.191 -0.001) 2.308 2.571 ( 2.220 -3.041 2.027) 4.276 2.579 ( 0.259 -3.617 -1.532) 3.937 2.627 ( 0.046 2.872 -1.889) 3.438 2.681 ( 0.223 0.066 -2.920) 2.929 2.704 ( -3.873 5.769 -0.216) 6.952 2.733 ( -0.456 -1.596 3.458) 3.835 2.784 ( 1.972 -3.519 -1.391) 4.267 2.876 ( -6.083 2.204 -2.759) 7.033 2.961 ( -1.218 4.432 -2.517) 5.240 2.973 ( -0.198 -3.845 -1.108) 4.006 3.026 ( 2.019 -2.167 0.502) 3.004 3.060 ( -0.227 2.376 -2.421) 3.400 3.100 ( -1.023 2.430 -0.598) 2.704 3.189 ( -3.520 3.655 0.606) 5.111 3.235 ( 1.919 0.617 -5.769) 6.111 3.281 ( -1.081 -5.268 0.345) 5.388 3.303 ( -3.426 1.153 -2.919) 4.646 3.328 ( 5.007 -1.926 0.073) 5.365 3.356 ( 2.864 -3.789 -0.459) 4.772 3.395 ( 0.362 -2.499 -6.048) 6.554 3.412 ( -1.652 0.004 -3.182) 3.585 3.439 ( 5.314 0.624 -2.341) 5.840 3.508 ( -0.922 -0.050 -2.138) 2.329 3.516 ( 0.654 -1.792 0.288) 1.929 3.574 ( 1.779 3.624 -0.521) 4.070 3.633 ( 3.751 -1.154 1.464) 4.189 3.645 ( 2.336 3.769 2.544) 5.113 3.691 ( -4.202 -0.755 0.913) 4.366 3.725 ( -0.609 -0.548 0.596) 1.013 3.770 ( 3.834 2.543 0.338) 4.613 3.795 ( -1.398 -2.249 3.776) 4.612 3.866 ( -1.586 1.438 -2.404) 3.219 3.890 ( 2.923 -3.856 -0.519) 4.866 3.929 ( -4.387 0.896 -1.267) 4.653 3.946 ( 1.311 -4.464 -1.363) 4.848 3.980 ( 5.980 1.111 3.266) 6.904 4.033 ( 0.975 1.846 -1.314) 2.466 4.057 ( -0.870 -3.658 -0.280) 3.770 4.103 ( 0.245 -3.871 2.689) 4.720 4.129 ( -0.349 -1.513 0.860) 1.775 4.154 ( 2.143 -3.163 2.184) 4.401 4.220 ( 2.039 0.306 1.763) 2.713 4.260 ( -4.059 -4.222 3.480) 6.812 4.312 ( -0.982 -1.319 1.485) 2.216 4.359 ( 0.762 3.049 1.351) 3.421 4.405 ( -2.050 1.101 -0.651) 2.417 4.425 ( -2.222 -3.855 0.893) 4.538 4.439 ( -0.971 1.325 1.723) 2.381 4.485 ( -1.042 0.471 3.864) 4.030 4.511 ( 0.361 0.961 1.701) 1.987 4.582 ( -2.915 1.200 4.201) 5.252 4.624 ( -3.956 -1.603 -1.552) 4.542 4.676 ( -3.368 2.793 0.390) 4.393 4.728 ( -1.353 -0.170 -2.872) 3.179 4.771 ( 1.219 -0.921 -4.600) 4.847 4.807 ( -0.046 2.514 0.813) 2.642 4.833 ( 1.768 2.073 -2.759) 3.877 4.894 ( -0.350 4.636 5.599) 7.278 4.960 ( 0.129 -1.124 -1.697) 2.040 5.022 ( 2.445 3.301 1.459) 4.359 5.049 ( 0.753 3.290 -0.568) 3.423 5.080 ( -2.896 -2.907 -3.571) 5.440 5.094 ( 0.759 4.728 -0.099) 4.790 5.164 ( 0.423 1.344 0.958) 1.703 5.201 ( 4.696 -0.163 -2.415) 5.283 5.218 ( -0.142 0.576 2.447) 2.518 5.281 ( -1.046 -1.006 -1.244) 1.912 5.333 ( -0.766 -1.154 1.534) 2.067 5.382 ( 1.477 1.046 -4.231) 4.602 5.415 ( 1.579 2.157 0.322) 2.693 5.479 ( -1.439 1.315 -2.475) 3.150 5.509 ( 1.381 -0.227 -0.194) 1.413 5.529 ( 1.569 -1.719 0.905) 2.497 5.563 ( -1.421 2.270 1.544) 3.091 5.593 ( 0.105 2.546 -1.577) 2.997 5.614 ( -3.698 -1.459 2.209) 4.547 5.682 ( 1.232 -1.490 -5.786) 6.101 5.711 ( -2.181 -1.197 -1.032) 2.693 5.799 ( 0.668 -1.003 -3.776) 3.964 5.841 ( 1.003 0.082 -3.608) 3.745 5.883 ( 1.153 1.197 0.460) 1.725 5.892 ( 3.223 -1.432 -1.114) 3.699 5.913 ( 0.649 0.286 0.313) 0.775 5.972 ( 1.375 -2.270 -3.477) 4.374 6.013 ( -0.935 0.867 1.287) 1.812 6.057 ( -1.536 2.374 -0.742) 2.924 6.103 ( 0.766 2.535 4.378) 5.116 6.112 ( -0.052 -0.233 0.279) 0.367 6.178 ( -1.984 -0.136 0.886) 2.177 6.220 ( 0.138 -0.927 1.271) 1.579 6.237 ( 3.473 1.001 2.225) 4.244 6.350 ( 6.616 -4.285 -0.573) 7.904 6.405 ( -3.196 2.889 -1.266) 4.491 6.412 ( 0.005 -1.056 -1.617) 1.931 6.430 ( 1.517 1.365 -6.355) 6.674 6.572 ( 3.279 4.574 -2.455) 6.140 6.600 ( 0.484 -0.445 -3.767) 3.824 6.691 ( -1.108 -0.650 -0.273) 1.313 6.715 ( -1.154 0.825 -1.164) 1.836 6.734 ( 0.045 3.729 -3.417) 5.058 6.804 ( -0.471 1.445 -2.112) 2.602 6.912 ( -1.687 1.554 3.195) 3.933 6.992 ( -1.857 -2.209 1.159) 3.110 7.015 ( -0.169 -1.815 0.607) 1.922 7.051 ( 1.875 -0.942 2.333) 3.138 7.082 ( -1.487 -1.715 0.874) 2.433 7.106 ( -2.930 -2.071 -0.492) 3.622 7.174 ( 2.729 -2.204 -0.745) 3.587 7.215 ( 0.812 -0.579 -2.902) 3.069 7.301 ( -2.904 -5.602 -0.192) 6.313 7.462 ( 0.240 1.150 -0.917) 1.491 7.477 ( -0.286 0.560 -2.197) 2.285 7.589 ( -0.890 0.888 -0.880) 1.534 7.639 ( -1.776 -0.416 -0.650) 1.936 9.687 ( -0.338 0.169 0.106) 0.393 9.699 ( -0.043 -0.289 -0.171) 0.339 9.795 ( 0.414 -0.006 0.120) 0.431 9.797 ( -0.315 -0.112 -0.015) 0.335 9.984 ( 1.572 0.612 1.666) 2.371 10.021 ( 0.385 -0.670 1.323) 1.532 10.047 ( 0.000 0.252 1.032) 1.063 10.065 ( -0.052 -0.415 1.167) 1.240 10.511 ( -0.257 0.642 0.367) 0.783 10.539 ( -0.266 -0.438 0.127) 0.528 10.582 ( 0.001 -0.007 1.124) 1.124 10.584 ( -0.064 -0.038 1.164) 1.166 12.514 ( -0.582 2.031 0.143) 2.117 12.575 ( -7.717 -3.196 6.192) 10.398 12.685 ( -4.206 -0.105 2.184) 4.740 12.714 ( -1.536 -0.799 2.251) 2.840 12.912 ( 0.832 -2.417 9.310) 9.654 13.047 ( 11.104 -11.283 14.559) 21.508 13.089 ( 4.256 -0.797 4.651) 6.355 13.493 ( 1.477 -8.287 -12.376) 14.967 13.992 ( -1.488 -1.853 7.846) 8.198 14.028 ( -0.793 3.008 3.105) 4.395 14.097 ( 0.389 -2.830 3.586) 4.585 14.222 ( -0.651 -4.485 1.023) 4.645 14.317 ( 0.217 1.235 -0.468) 1.339 14.398 ( -2.298 1.240 -0.297) 2.628 14.494 ( 2.348 4.145 1.792) 5.090 14.574 ( 0.679 2.535 -0.837) 2.755 14.738 ( -0.397 3.411 -2.292) 4.128 14.938 ( 1.898 -3.025 -3.143) 4.757 15.121 ( 2.354 17.887 -22.826) 29.095 15.317 ( -0.134 -0.193 -7.658) 7.661 ======================= Grid point 30 (15/45) ======================= q-point: ( 0.25 0.25 0.14) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 11.463 10.898 13.903) 21.059 0.930 ( 10.692 10.031 15.819) 21.568 1.172 ( -5.334 6.250 1.347) 8.327 1.317 ( -8.639 -1.489 8.958) 12.534 1.353 ( -8.316 6.717 6.647) 12.588 1.544 ( 6.059 3.394 15.480) 16.967 1.571 ( -2.361 -13.035 2.967) 13.575 1.649 ( -1.867 -9.141 3.187) 9.859 1.662 ( 0.219 -6.064 3.715) 7.114 1.749 ( 4.556 3.893 10.638) 12.210 1.777 ( -0.515 1.468 4.486) 4.748 1.900 ( -2.077 1.157 0.094) 2.379 2.001 ( -1.574 -0.908 2.281) 2.916 2.062 ( 6.307 2.143 3.249) 7.411 2.185 ( -5.416 -3.958 -2.967) 7.335 2.283 ( -2.345 -2.633 0.271) 3.536 2.303 ( -4.895 7.645 2.010) 9.298 2.335 ( 0.279 5.538 -1.845) 5.844 2.371 ( 4.319 3.891 3.773) 6.930 2.437 ( 4.914 0.109 -0.219) 4.920 2.479 ( -4.799 -1.161 -4.482) 6.668 2.539 ( -1.223 -4.450 -2.956) 5.480 2.572 ( -1.409 2.323 3.182) 4.185 2.576 ( -1.112 2.136 0.166) 2.414 2.596 ( -0.269 -2.324 4.128) 4.745 2.658 ( -0.668 1.411 -2.104) 2.620 2.673 ( 0.952 5.031 -1.166) 5.251 2.718 ( -2.583 1.708 1.195) 3.320 2.750 ( -3.113 -0.601 0.059) 3.171 2.849 ( 1.576 -4.970 -2.495) 5.780 2.895 ( -3.930 -2.250 0.080) 4.530 2.951 ( 0.419 2.806 1.853) 3.389 3.058 ( -1.960 0.927 0.379) 2.201 3.080 ( 2.505 0.021 -4.112) 4.815 3.096 ( 1.910 -0.354 -2.654) 3.289 3.166 ( 3.818 -0.680 -2.755) 4.757 3.207 ( -3.767 -0.619 -1.692) 4.176 3.224 ( -0.342 -2.055 -8.423) 8.677 3.306 ( 1.668 -4.920 -1.392) 5.378 3.316 ( -0.548 4.800 -1.163) 4.969 3.360 ( -1.496 -2.347 -1.164) 3.017 3.452 ( -0.095 -2.836 1.208) 3.084 3.468 ( 0.207 -3.929 -0.759) 4.007 3.478 ( 3.372 -0.180 0.919) 3.500 3.524 ( 3.123 1.678 -2.826) 4.534 3.570 ( 2.083 -0.853 0.551) 2.317 3.603 ( 1.818 0.743 1.688) 2.590 3.609 ( 0.714 2.916 -4.250) 5.204 3.685 ( 4.287 0.116 -0.100) 4.290 3.716 ( 1.259 -0.343 -2.566) 2.878 3.746 ( 0.933 0.611 -0.746) 1.341 3.781 ( 0.703 -3.322 -0.719) 3.471 3.807 ( -0.823 -1.312 -1.595) 2.224 3.824 ( -4.720 -1.363 -2.456) 5.493 3.863 ( -1.226 0.048 -3.402) 3.616 3.870 ( 0.081 2.912 1.846) 3.449 3.944 ( -5.593 -2.944 0.351) 6.330 4.002 ( 1.931 -2.297 -0.660) 3.073 4.027 ( -2.815 -0.584 0.701) 2.959 4.076 ( 1.592 -2.118 3.744) 4.587 4.136 ( 1.052 -1.708 -0.661) 2.112 4.140 ( -2.187 -2.884 -0.498) 3.653 4.190 ( -3.509 -3.809 4.246) 6.697 4.212 ( 4.600 -0.333 0.543) 4.644 4.270 ( -0.579 2.586 5.459) 6.068 4.327 ( 0.292 -3.871 3.282) 5.083 4.362 ( 0.387 1.512 1.858) 2.427 4.379 ( 0.020 -0.367 -0.936) 1.006 4.403 ( -2.718 1.225 -0.292) 2.995 4.422 ( 4.142 -3.003 -0.252) 5.122 4.493 ( -0.484 -1.134 4.374) 4.544 4.510 ( 0.445 -0.745 2.888) 3.015 4.545 ( -0.490 -2.481 0.930) 2.695 4.600 ( 1.035 2.899 3.277) 4.496 4.650 ( 0.779 1.359 0.330) 1.601 4.687 ( -1.758 -2.323 0.557) 2.966 4.761 ( -0.232 1.666 -4.470) 4.776 4.786 ( -2.963 4.584 -0.505) 5.482 4.812 ( -1.888 -1.590 3.385) 4.189 4.877 ( -0.923 3.310 1.025) 3.586 4.968 ( -3.502 -1.624 -2.868) 4.809 5.013 ( -1.657 -1.239 0.426) 2.112 5.064 ( -0.047 6.973 -4.261) 8.172 5.069 ( 0.094 1.328 0.525) 1.431 5.089 ( 2.111 2.375 -0.193) 3.184 5.139 ( -0.175 0.228 1.361) 1.391 5.225 ( -0.764 0.517 3.393) 3.516 5.244 ( -1.252 3.635 -0.140) 3.847 5.293 ( 1.833 -2.920 2.202) 4.091 5.337 ( 0.431 1.509 -0.992) 1.857 5.393 ( 1.935 -0.455 -2.155) 2.932 5.445 ( -0.245 -2.014 -0.138) 2.034 5.484 ( 0.270 -0.115 -0.555) 0.628 5.524 ( 2.015 3.269 -1.369) 4.077 5.547 ( 1.391 -0.951 1.022) 1.970 5.567 ( -0.757 -0.374 0.333) 0.907 5.575 ( 0.806 1.416 2.543) 3.020 5.638 ( 4.339 1.049 -0.813) 4.537 5.683 ( 2.473 0.698 -7.384) 7.818 5.700 ( 2.522 -0.675 -5.516) 6.102 5.791 ( -1.223 0.315 -1.064) 1.651 5.845 ( -1.352 -0.550 0.095) 1.463 5.869 ( -0.329 -2.125 0.534) 2.216 5.928 ( 1.765 -0.335 -2.605) 3.165 5.946 ( -1.171 0.640 -0.975) 1.653 5.971 ( 0.843 1.769 -1.370) 2.391 5.982 ( -2.365 1.826 -0.437) 3.020 6.031 ( -0.515 -0.768 -1.538) 1.795 6.093 ( -2.388 -1.440 1.196) 3.034 6.158 ( 0.425 2.813 1.576) 3.252 6.196 ( -1.521 -1.779 2.981) 3.790 6.216 ( 3.288 1.495 0.894) 3.721 6.290 ( 1.820 0.257 0.418) 1.885 6.317 ( -3.131 -2.796 1.827) 4.578 6.379 ( -1.802 -0.069 -3.296) 3.757 6.418 ( -0.436 -1.775 -0.050) 1.828 6.483 ( 2.990 1.121 -3.632) 4.836 6.593 ( 0.407 -0.874 -5.573) 5.656 6.658 ( 4.466 2.739 -3.887) 6.523 6.674 ( -2.497 1.299 1.568) 3.222 6.701 ( 4.173 -1.199 -3.914) 5.846 6.760 ( 3.235 3.484 -2.742) 5.488 6.782 ( -0.996 0.512 -5.207) 5.326 6.869 ( -4.078 3.163 3.254) 6.101 6.939 ( -2.053 0.846 1.115) 2.484 6.967 ( -1.584 -0.731 0.113) 1.749 7.060 ( 0.399 -0.458 0.993) 1.164 7.084 ( 0.779 -1.186 2.263) 2.671 7.099 ( -1.054 -0.167 1.770) 2.067 7.195 ( -0.400 -1.579 -0.925) 1.873 7.223 ( 0.754 -0.539 -2.481) 2.648 7.288 ( 1.746 -2.830 -1.904) 3.832 7.447 ( -0.776 -0.185 -0.691) 1.055 7.466 ( -0.097 -0.218 -1.536) 1.555 7.567 ( -0.877 -0.331 -0.675) 1.156 7.610 ( -0.714 -0.529 -0.481) 1.011 9.687 ( 0.308 0.207 -0.161) 0.405 9.699 ( 0.055 -0.234 -0.141) 0.278 9.784 ( -0.759 0.150 -0.058) 0.776 9.792 ( -0.720 -0.130 0.375) 0.822 10.017 ( 0.768 0.130 1.000) 1.268 10.030 ( -0.080 -0.490 1.162) 1.264 10.058 ( 0.582 0.629 1.002) 1.318 10.077 ( 0.645 -0.252 1.102) 1.301 10.513 ( 0.309 0.452 0.345) 0.647 10.536 ( 0.012 -0.445 0.087) 0.453 10.584 ( -0.248 0.132 1.119) 1.154 10.587 ( -0.062 -0.015 1.298) 1.300 12.511 ( -1.420 1.251 6.640) 6.904 12.595 ( 7.624 1.414 0.085) 7.755 12.647 ( -0.838 0.821 4.612) 4.759 12.704 ( 0.378 -0.150 1.278) 1.341 12.944 ( -0.671 -0.551 9.906) 9.944 13.004 ( -7.209 5.836 -2.133) 9.517 13.324 ( 6.553 -21.357 5.255) 22.949 13.448 ( -2.202 -12.859 -10.147) 16.528 13.996 ( -0.354 0.172 6.865) 6.876 14.018 ( -1.380 1.409 4.247) 4.683 14.123 ( 0.569 -2.723 3.846) 4.746 14.203 ( -1.116 -4.753 0.049) 4.882 14.333 ( 1.534 -0.304 0.605) 1.677 14.365 ( -1.212 -0.058 -0.175) 1.225 14.533 ( 0.490 4.196 -0.466) 4.250 14.587 ( 2.027 6.174 1.217) 6.611 14.720 ( -0.709 6.005 -3.605) 7.040 14.921 ( -8.743 12.368 -9.294) 17.770 15.034 ( 4.512 1.752 -4.901) 6.888 15.239 ( -5.154 -1.412 -7.409) 9.135 ======================= Grid point 31 (16/45) ======================= q-point: (-0.50 0.25 0.14) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( -13.530 8.697 4.668) 16.748 1.060 ( -13.826 10.484 7.745) 19.001 1.085 ( 10.782 3.109 7.447) 13.468 1.283 ( 11.322 11.082 12.034) 19.895 1.337 ( -2.730 -1.164 6.829) 7.446 1.480 ( -0.837 -0.354 3.174) 3.301 1.549 ( -1.520 -3.299 5.601) 6.676 1.639 ( -1.822 -7.761 5.552) 9.715 1.745 ( 0.243 -10.271 3.373) 10.814 1.798 ( 2.750 -2.276 4.809) 5.989 1.825 ( -8.051 1.803 -0.471) 8.263 1.903 ( -7.993 2.795 6.373) 10.598 1.985 ( -4.331 -0.417 3.936) 5.867 2.085 ( 7.641 0.024 5.951) 9.685 2.155 ( 1.893 2.563 3.888) 5.027 2.187 ( -1.764 0.512 0.856) 2.026 2.291 ( 1.845 -0.666 0.162) 1.968 2.313 ( -4.922 0.645 -0.989) 5.061 2.351 ( -0.608 2.412 -3.719) 4.475 2.441 ( -2.115 -0.779 0.897) 2.426 2.488 ( 1.688 3.956 4.545) 6.258 2.520 ( -0.171 -4.661 -1.276) 4.836 2.566 ( 0.240 0.755 -1.994) 2.146 2.572 ( 1.808 -1.425 0.166) 2.308 2.643 ( -1.953 0.291 -1.333) 2.382 2.672 ( 4.707 7.702 3.878) 9.824 2.677 ( 0.399 5.393 2.434) 5.931 2.708 ( 2.013 2.949 1.482) 3.866 2.726 ( -0.549 -2.545 -4.372) 5.089 2.823 ( 3.078 -5.958 -1.473) 6.866 2.878 ( -2.025 -0.695 1.585) 2.664 2.961 ( -0.573 1.893 3.546) 4.061 3.061 ( 2.010 4.078 -0.373) 4.561 3.078 ( -1.641 -1.421 -1.542) 2.663 3.108 ( 0.893 0.987 -2.614) 2.933 3.183 ( 0.690 -0.848 -5.457) 5.565 3.193 ( 1.268 -2.248 -4.351) 5.059 3.251 ( 2.548 -0.967 -2.172) 3.485 3.312 ( 1.819 2.129 -4.430) 5.241 3.315 ( -0.964 -0.654 -0.401) 1.232 3.394 ( 3.294 -0.685 2.691) 4.309 3.422 ( -0.552 -4.250 -3.239) 5.372 3.437 ( -1.103 -6.860 3.094) 7.605 3.511 ( -1.975 3.779 -5.465) 6.931 3.532 ( -0.234 0.648 -2.233) 2.337 3.556 ( -0.346 -1.025 -0.689) 1.282 3.580 ( -4.346 1.454 -4.683) 6.552 3.662 ( -2.257 -4.466 -3.726) 6.239 3.674 ( -2.993 4.374 -2.427) 5.829 3.702 ( -2.366 -0.554 -5.445) 5.963 3.714 ( 1.990 -0.697 -1.118) 2.387 3.778 ( -0.039 -0.542 -1.660) 1.746 3.808 ( 0.502 -2.039 -2.013) 2.909 3.835 ( 4.060 -1.330 4.270) 6.040 3.854 ( 0.018 -1.384 4.970) 5.159 3.897 ( 1.423 -0.740 0.076) 1.606 3.903 ( 1.597 -1.016 -0.019) 1.893 3.947 ( -3.782 -2.919 -0.032) 4.778 4.032 ( -0.964 -1.120 -0.784) 1.673 4.052 ( -2.621 -4.497 1.147) 5.330 4.100 ( -1.270 2.844 0.827) 3.223 4.136 ( 1.026 -1.220 -3.858) 4.174 4.187 ( 0.511 0.194 0.651) 0.850 4.230 ( -0.424 0.730 3.816) 3.909 4.258 ( -0.944 -1.205 -1.941) 2.472 4.334 ( -0.027 -3.373 2.420) 4.151 4.372 ( 0.192 2.706 2.119) 3.443 4.387 ( -0.128 0.917 7.725) 7.780 4.434 ( 3.085 0.269 1.983) 3.677 4.464 ( -2.807 -1.368 2.730) 4.148 4.500 ( 0.587 -2.077 2.050) 2.977 4.535 ( 1.561 -1.334 1.727) 2.683 4.595 ( 5.458 -2.910 -1.948) 6.485 4.626 ( -1.645 3.358 3.218) 4.933 4.667 ( -1.017 -2.045 2.989) 3.761 4.679 ( 1.385 0.482 2.108) 2.568 4.730 ( 0.105 3.743 -2.152) 4.319 4.750 ( -0.284 3.418 0.523) 3.469 4.849 ( 1.097 -3.343 0.082) 3.519 4.859 ( 1.407 1.179 1.296) 2.247 4.904 ( -1.377 -1.062 0.800) 1.915 4.978 ( -0.810 -2.526 0.353) 2.676 5.011 ( -1.501 4.618 -3.424) 5.942 5.103 ( 0.878 3.387 -1.408) 3.772 5.118 ( 1.881 -1.480 1.206) 2.680 5.171 ( -1.044 1.291 2.591) 3.077 5.186 ( -3.035 3.159 -0.428) 4.401 5.231 ( 1.096 2.660 2.114) 3.570 5.305 ( -1.238 0.540 1.697) 2.169 5.344 ( 1.597 -0.602 -1.078) 2.019 5.432 ( -2.573 1.021 2.469) 3.710 5.438 ( -0.228 -4.213 1.033) 4.343 5.462 ( 0.125 0.715 1.652) 1.804 5.493 ( -1.870 -0.957 -1.159) 2.399 5.523 ( -0.568 1.769 -2.290) 2.949 5.608 ( 2.526 0.234 -2.084) 3.283 5.634 ( 0.267 -0.271 -3.826) 3.845 5.689 ( 0.953 0.885 -1.487) 1.975 5.719 ( 3.737 1.533 -7.505) 8.523 5.760 ( -0.992 -0.899 -4.076) 4.290 5.802 ( -3.383 -0.662 -5.231) 6.265 5.812 ( 6.721 2.671 0.798) 7.276 5.863 ( 0.718 -0.647 -2.622) 2.794 5.877 ( 0.485 -0.235 -1.019) 1.153 5.921 ( -2.457 0.571 3.880) 4.628 5.952 ( -0.419 0.201 0.142) 0.486 6.010 ( -0.080 -0.219 0.773) 0.808 6.045 ( 4.013 0.279 -4.401) 5.963 6.074 ( 0.929 1.499 -0.781) 1.929 6.111 ( -4.607 2.696 0.647) 5.377 6.158 ( -2.568 1.067 2.526) 3.757 6.239 ( -1.396 -0.260 0.911) 1.687 6.277 ( -2.829 -3.842 6.137) 7.774 6.285 ( -3.840 0.326 4.181) 5.686 6.350 ( -0.260 1.446 -1.616) 2.184 6.420 ( 1.534 -1.499 0.595) 2.226 6.500 ( 0.850 1.484 -4.250) 4.581 6.571 ( -1.155 -0.870 -3.930) 4.188 6.623 ( -1.876 1.128 -1.535) 2.674 6.704 ( 1.945 1.104 -2.914) 3.673 6.725 ( 0.110 1.165 -5.496) 5.619 6.800 ( 2.274 1.175 -4.105) 4.838 6.820 ( 2.525 2.233 -2.365) 4.118 6.879 ( 4.506 1.600 -1.732) 5.086 6.930 ( 0.341 -0.522 -1.203) 1.355 6.960 ( 0.693 0.113 0.862) 1.112 7.063 ( -1.306 0.124 1.433) 1.943 7.079 ( 0.448 0.008 0.138) 0.469 7.090 ( -1.056 -2.274 1.606) 2.978 7.177 ( -0.732 -2.285 -1.566) 2.865 7.222 ( 0.036 -0.939 -2.612) 2.776 7.324 ( 1.935 -5.859 0.808) 6.223 7.437 ( -0.302 -0.675 -0.110) 0.748 7.466 ( 0.451 -0.825 -1.161) 1.494 7.570 ( 1.322 0.510 0.218) 1.434 7.613 ( 1.050 -0.374 0.263) 1.145 9.695 ( 0.437 0.058 -0.183) 0.478 9.700 ( 0.068 -0.131 -0.081) 0.168 9.776 ( -0.016 0.049 0.062) 0.080 9.779 ( -0.498 0.011 0.283) 0.572 10.016 ( -1.079 0.043 0.812) 1.351 10.027 ( -0.489 -0.609 0.869) 1.168 10.063 ( -0.407 0.823 0.673) 1.139 10.083 ( -0.392 -0.142 0.848) 0.945 10.520 ( 0.146 0.383 0.429) 0.593 10.539 ( 0.172 -0.378 0.309) 0.517 10.581 ( -0.384 0.205 1.059) 1.145 10.588 ( -0.302 -0.069 1.217) 1.256 12.519 ( 0.204 2.344 9.675) 9.957 12.686 ( 1.987 -0.970 7.666) 7.979 12.707 ( 1.494 -1.004 5.227) 5.529 12.786 ( 6.189 3.300 -0.166) 7.015 12.826 ( -7.951 4.195 -1.783) 9.165 12.949 ( -0.838 2.653 6.534) 7.101 13.229 ( -11.763 -12.916 -12.453) 21.453 13.459 ( 3.015 -16.671 -5.477) 17.805 14.006 ( -1.313 -1.122 5.529) 5.793 14.017 ( 0.054 1.687 5.650) 5.896 14.119 ( -1.811 -2.415 2.471) 3.901 14.203 ( 0.781 -4.970 0.820) 5.098 14.343 ( -1.121 0.212 -0.171) 1.154 14.376 ( 2.310 -1.458 2.063) 3.423 14.528 ( 0.190 4.950 -1.104) 5.075 14.585 ( -4.481 6.660 -2.894) 8.533 14.742 ( 6.751 16.746 -2.727) 18.261 14.783 ( -2.596 7.392 -2.249) 8.151 15.107 ( -5.313 -1.792 -5.744) 8.027 15.160 ( 7.655 -1.954 -4.121) 8.911 ======================= Grid point 32 (17/45) ======================= q-point: (-0.25 0.25 0.14) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( -6.325 15.900 15.989) 23.420 0.824 ( -12.911 16.565 12.384) 24.382 1.171 ( -3.443 0.173 5.679) 6.643 1.344 ( 3.148 -5.214 6.162) 8.663 1.408 ( -12.580 14.979 17.070) 25.962 1.472 ( -3.671 4.347 9.176) 10.797 1.578 ( -0.416 -3.773 5.345) 6.556 1.598 ( 4.129 0.017 7.055) 8.175 1.645 ( 1.589 -5.697 0.642) 5.949 1.746 ( 1.754 -3.340 5.871) 6.979 1.877 ( -1.168 -3.957 3.977) 5.731 1.917 ( 6.055 3.304 3.601) 7.781 1.954 ( -0.317 0.752 2.871) 2.985 2.061 ( -4.181 -1.403 0.935) 4.508 2.127 ( -5.829 -0.729 -4.607) 7.466 2.254 ( 0.151 -0.198 0.875) 0.910 2.276 ( -3.760 -3.980 -1.540) 5.687 2.313 ( 8.326 0.254 -2.843) 8.801 2.390 ( 3.642 -1.927 -1.407) 4.354 2.434 ( 1.250 0.491 0.406) 1.403 2.469 ( -2.574 2.588 0.797) 3.736 2.515 ( 1.121 -4.583 -0.213) 4.723 2.542 ( -4.324 1.296 -0.391) 4.530 2.604 ( -0.242 -1.447 -2.455) 2.860 2.627 ( 1.864 1.445 -1.950) 3.060 2.674 ( 0.715 2.512 -0.101) 2.614 2.687 ( 0.238 -3.702 0.750) 3.784 2.764 ( 1.109 0.715 1.108) 1.723 2.797 ( -0.526 1.295 0.027) 1.398 2.849 ( 3.233 3.349 -0.743) 4.714 2.904 ( 5.150 -5.444 -1.119) 7.577 3.014 ( 2.689 5.018 6.801) 8.869 3.045 ( -1.617 0.749 -2.196) 2.828 3.076 ( -1.733 4.566 -1.017) 4.989 3.107 ( -0.813 3.400 0.378) 3.516 3.192 ( 4.905 1.212 -1.047) 5.159 3.233 ( -0.161 1.175 -2.561) 2.822 3.258 ( 3.186 -1.113 -1.208) 3.584 3.270 ( -3.292 0.182 -2.758) 4.299 3.332 ( -0.383 -6.897 -7.167) 9.954 3.395 ( 1.483 0.585 -0.102) 1.598 3.413 ( -2.362 1.499 -1.323) 3.095 3.422 ( 0.541 -0.316 2.640) 2.713 3.454 ( -5.013 -3.192 -3.728) 7.015 3.505 ( -1.929 -0.217 -7.698) 7.939 3.523 ( 1.030 -0.020 -3.664) 3.807 3.562 ( -0.016 -2.869 -0.340) 2.889 3.604 ( -0.774 2.020 -5.024) 5.470 3.610 ( -0.350 -1.684 3.647) 4.032 3.681 ( 2.589 1.246 -1.243) 3.130 3.754 ( -2.380 1.002 3.580) 4.414 3.767 ( -0.592 -0.927 0.165) 1.112 3.822 ( 0.932 -1.549 1.993) 2.691 3.838 ( -1.383 -4.531 -2.121) 5.191 3.882 ( 1.256 2.286 1.457) 2.988 3.895 ( -0.425 2.739 1.094) 2.980 3.923 ( 0.967 -4.300 -1.401) 4.624 3.964 ( 3.570 -2.051 1.459) 4.368 4.027 ( -1.151 -4.124 -3.655) 5.629 4.056 ( 3.217 -3.044 1.219) 4.593 4.076 ( -0.117 1.345 2.051) 2.455 4.136 ( -2.643 -0.802 -1.603) 3.194 4.167 ( 0.050 0.049 -0.971) 0.973 4.197 ( -2.482 -2.737 -0.508) 3.730 4.291 ( 2.136 0.899 1.472) 2.746 4.337 ( -0.823 -2.009 1.194) 2.478 4.372 ( -3.756 1.336 7.050) 8.099 4.402 ( 0.660 0.342 5.347) 5.398 4.426 ( -0.319 4.247 2.054) 4.728 4.484 ( 1.904 0.514 0.487) 2.031 4.502 ( -2.840 -0.135 2.276) 3.642 4.510 ( -3.470 -1.271 0.926) 3.809 4.592 ( -0.604 0.876 4.502) 4.626 4.674 ( 2.726 -1.213 0.611) 3.046 4.684 ( 0.039 -1.622 1.058) 1.937 4.717 ( 2.627 2.189 -1.186) 3.619 4.738 ( 1.594 1.803 -0.400) 2.440 4.798 ( 3.509 6.129 -3.071) 7.702 4.821 ( -0.562 -0.183 -2.566) 2.633 4.872 ( -1.115 -0.645 4.196) 4.389 4.960 ( 3.720 -0.505 0.443) 3.781 4.975 ( 1.216 0.228 -2.304) 2.615 5.046 ( -1.284 1.225 -0.389) 1.817 5.066 ( 3.766 1.507 2.712) 4.879 5.114 ( -2.625 5.411 -1.253) 6.143 5.155 ( -1.984 -0.580 -2.140) 2.976 5.178 ( 0.570 -1.859 1.709) 2.589 5.220 ( -1.110 0.461 3.123) 3.347 5.291 ( -0.946 0.699 0.701) 1.369 5.365 ( -2.060 0.491 0.737) 2.242 5.386 ( -1.863 2.430 0.405) 3.089 5.405 ( 1.124 -0.420 -0.447) 1.281 5.476 ( 2.151 -0.697 -0.037) 2.261 5.490 ( -0.433 -0.788 -1.412) 1.674 5.538 ( -1.416 2.253 -1.149) 2.899 5.592 ( 0.725 0.994 -1.641) 2.051 5.600 ( -2.139 -0.656 -3.695) 4.320 5.671 ( -2.665 -3.262 0.394) 4.231 5.676 ( -0.894 -1.517 -3.819) 4.205 5.754 ( -0.778 0.314 -3.235) 3.341 5.791 ( 2.545 0.413 -5.571) 6.139 5.842 ( 0.527 0.620 0.094) 0.819 5.850 ( -2.034 2.115 -1.010) 3.103 5.907 ( 0.173 -1.190 -3.699) 3.889 5.928 ( 0.159 -0.850 -2.278) 2.437 5.952 ( -0.553 -2.021 -1.487) 2.570 6.025 ( -1.221 3.260 1.973) 4.001 6.052 ( 1.473 2.683 4.025) 5.057 6.118 ( 1.431 0.543 -1.002) 1.830 6.128 ( 1.103 1.508 -0.539) 1.945 6.137 ( 4.477 0.395 0.477) 4.520 6.190 ( -1.228 -1.704 0.282) 2.119 6.226 ( -2.624 1.107 3.370) 4.412 6.256 ( -0.431 -2.087 3.955) 4.493 6.362 ( 1.958 1.736 -0.560) 2.676 6.442 ( 0.405 -0.330 -2.194) 2.255 6.502 ( -1.949 1.641 -4.154) 4.873 6.537 ( 0.543 1.133 -2.021) 2.380 6.601 ( 0.137 -0.518 -2.620) 2.674 6.707 ( -0.278 -0.021 -1.991) 2.010 6.721 ( 0.624 1.878 -4.097) 4.550 6.786 ( -2.261 2.841 -4.738) 5.970 6.822 ( -1.083 1.657 -0.087) 1.981 6.927 ( -0.374 1.454 2.290) 2.739 6.961 ( 3.101 -1.877 -0.678) 3.688 6.996 ( 2.932 -0.259 0.401) 2.971 7.054 ( -2.678 -2.297 1.881) 3.998 7.063 ( 0.850 -0.239 0.910) 1.268 7.110 ( 3.077 -0.848 -3.811) 4.971 7.164 ( -0.574 -4.687 -1.007) 4.829 7.214 ( 0.183 -0.949 -2.895) 3.052 7.348 ( -1.079 -11.210 3.108) 11.683 7.441 ( 1.308 1.390 -0.831) 2.082 7.477 ( 0.983 -0.037 -1.741) 2.000 7.592 ( 0.697 1.631 -0.244) 1.790 7.645 ( 1.431 -0.294 0.835) 1.683 9.695 ( -0.403 0.016 0.166) 0.436 9.700 ( 0.009 -0.182 -0.111) 0.213 9.781 ( 0.758 0.116 -0.046) 0.768 9.788 ( 0.950 -0.156 0.223) 0.988 9.987 ( -1.931 0.435 0.914) 2.180 10.019 ( -0.510 -0.798 0.943) 1.337 10.052 ( -0.744 0.506 0.764) 1.180 10.072 ( -0.861 -0.307 0.956) 1.323 10.518 ( -0.458 0.592 0.461) 0.879 10.542 ( -0.062 -0.362 0.367) 0.519 10.579 ( -0.079 0.049 1.037) 1.041 10.585 ( -0.343 -0.107 1.085) 1.143 12.584 ( -1.255 0.056 9.061) 9.148 12.620 ( -4.393 1.626 5.376) 7.131 12.730 ( -0.934 -1.347 4.163) 4.474 12.781 ( 4.149 -1.392 15.640) 16.240 12.885 ( -0.304 -2.909 5.509) 6.237 12.913 ( -15.913 -9.675 -8.846) 20.617 13.014 ( 6.293 6.561 -1.372) 9.194 13.485 ( 2.822 -10.133 -11.259) 15.408 13.999 ( -1.603 -2.655 7.421) 8.043 14.029 ( -0.309 2.806 3.490) 4.489 14.096 ( -1.181 -2.589 2.774) 3.974 14.219 ( 0.443 -4.582 1.267) 4.774 14.323 ( -0.687 1.645 -0.540) 1.863 14.421 ( 1.076 -1.146 2.791) 3.203 14.485 ( -3.061 6.639 -1.765) 7.521 14.552 ( 1.676 3.547 -1.375) 4.158 14.752 ( -0.625 3.617 -1.472) 3.954 14.906 ( 8.217 9.670 -7.922) 14.959 15.032 ( 3.103 9.180 -8.331) 12.779 15.280 ( 5.921 -0.707 -5.916) 8.399 ======================= Grid point 33 (18/45) ======================= q-point: ( 0.00 -0.50 0.14) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 43 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -3.438 -7.020 12.042) 14.356 0.988 ( -3.438 7.020 12.042) 14.356 1.180 ( 1.965 -8.983 15.165) 17.735 1.180 ( 1.965 8.983 15.165) 17.735 1.433 ( -0.081 -2.363 -1.125) 2.618 1.433 ( -0.081 2.363 -1.125) 2.618 1.514 ( -3.035 -3.492 3.834) 6.008 1.514 ( -3.035 3.492 3.834) 6.008 1.821 ( -5.534 -10.354 2.090) 11.925 1.821 ( -5.534 10.354 2.090) 11.925 1.911 ( 2.953 -2.889 5.716) 7.053 1.911 ( 2.953 2.889 5.716) 7.053 2.042 ( -3.739 -9.394 -0.117) 10.112 2.042 ( -3.739 9.394 -0.117) 10.112 2.120 ( -0.057 -11.574 7.347) 13.709 2.120 ( -0.057 11.574 7.347) 13.709 2.278 ( 8.343 -4.386 5.294) 10.811 2.278 ( 8.343 4.386 5.294) 10.811 2.433 ( 0.730 -4.571 -2.241) 5.143 2.433 ( 0.730 4.571 -2.241) 5.143 2.506 ( 0.670 -3.126 -0.733) 3.280 2.506 ( 0.670 3.126 -0.733) 3.280 2.563 ( -1.966 -0.776 -3.091) 3.744 2.563 ( -1.966 0.776 -3.091) 3.744 2.663 ( 4.297 -4.100 -2.270) 6.358 2.663 ( 4.297 4.100 -2.270) 6.358 2.732 ( 0.621 -3.750 2.396) 4.493 2.732 ( 0.621 3.750 2.396) 4.493 2.845 ( -2.087 -8.822 -4.234) 10.006 2.845 ( -2.087 8.822 -4.234) 10.006 2.951 ( -5.107 -4.932 0.248) 7.104 2.951 ( -5.107 4.932 0.248) 7.104 3.067 ( -0.889 -4.062 -5.583) 6.961 3.067 ( -0.889 4.062 -5.583) 6.961 3.114 ( -0.132 -6.964 -3.108) 7.627 3.114 ( -0.132 6.964 -3.108) 7.627 3.228 ( -1.282 -5.331 2.295) 5.944 3.228 ( -1.282 5.331 2.295) 5.944 3.278 ( -0.216 -1.012 -0.398) 1.108 3.278 ( -0.216 1.012 -0.398) 1.108 3.401 ( 0.689 -2.571 -3.463) 4.368 3.401 ( 0.689 2.571 -3.463) 4.368 3.443 ( 2.226 -4.676 0.143) 5.181 3.443 ( 2.226 4.676 0.143) 5.181 3.498 ( -0.526 -3.337 -2.163) 4.012 3.498 ( -0.526 3.337 -2.163) 4.012 3.628 ( 3.979 -2.509 0.779) 4.768 3.628 ( 3.979 2.509 0.779) 4.768 3.675 ( -1.430 -3.814 -2.018) 4.546 3.675 ( -1.430 3.814 -2.018) 4.546 3.748 ( 4.392 -1.773 1.507) 4.971 3.748 ( 4.392 1.773 1.507) 4.971 3.823 ( -0.240 -2.940 -1.918) 3.519 3.823 ( -0.240 2.940 -1.918) 3.519 3.887 ( -1.140 -3.439 1.325) 3.858 3.887 ( -1.140 3.439 1.325) 3.858 3.969 ( -1.430 -3.207 2.280) 4.186 3.969 ( -1.430 3.207 2.280) 4.186 4.036 ( 0.717 -1.780 3.277) 3.798 4.036 ( 0.717 1.780 3.277) 3.798 4.096 ( 3.929 -1.970 2.547) 5.080 4.096 ( 3.929 1.970 2.547) 5.080 4.132 ( -3.171 -3.990 2.383) 5.626 4.132 ( -3.171 3.990 2.383) 5.626 4.252 ( -1.356 -2.398 0.583) 2.816 4.252 ( -1.356 2.398 0.583) 2.816 4.399 ( -0.624 -1.581 1.686) 2.394 4.399 ( -0.624 1.581 1.686) 2.394 4.423 ( -2.747 -0.780 0.227) 2.865 4.423 ( -2.747 0.780 0.227) 2.865 4.527 ( -0.988 -1.294 2.015) 2.591 4.527 ( -0.988 1.294 2.015) 2.591 4.588 ( -1.584 -2.650 1.404) 3.392 4.588 ( -1.584 2.650 1.404) 3.392 4.689 ( -1.387 -1.725 -0.056) 2.214 4.689 ( -1.387 1.725 -0.056) 2.214 4.836 ( -0.996 -1.553 -1.776) 2.561 4.836 ( -0.996 1.553 -1.776) 2.561 4.886 ( -0.075 -4.299 0.004) 4.299 4.886 ( -0.075 4.299 0.004) 4.299 4.986 ( -0.493 -3.961 -2.180) 4.549 4.986 ( -0.493 3.961 -2.180) 4.549 5.085 ( 1.958 -0.944 2.183) 3.080 5.085 ( 1.958 0.944 2.183) 3.080 5.174 ( -0.196 -2.286 -1.365) 2.669 5.174 ( -0.196 2.286 -1.365) 2.669 5.202 ( 0.518 -4.493 1.165) 4.671 5.202 ( 0.518 4.493 1.165) 4.671 5.299 ( 2.000 -2.746 -1.214) 3.607 5.299 ( 2.000 2.746 -1.214) 3.607 5.427 ( -0.164 -2.303 -4.174) 4.770 5.427 ( -0.164 2.303 -4.174) 4.770 5.479 ( 1.132 -0.872 -0.933) 1.706 5.479 ( 1.132 0.872 -0.933) 1.706 5.550 ( 0.461 -2.119 -0.554) 2.238 5.550 ( 0.461 2.119 -0.554) 2.238 5.631 ( -0.320 -3.048 -2.262) 3.809 5.631 ( -0.320 3.048 -2.262) 3.809 5.667 ( -0.906 -2.380 -0.331) 2.568 5.667 ( -0.906 2.380 -0.331) 2.568 5.810 ( -0.012 -2.471 -3.898) 4.616 5.810 ( -0.012 2.471 -3.898) 4.616 5.877 ( 1.753 -2.018 -2.280) 3.514 5.877 ( 1.753 2.018 -2.280) 3.514 5.946 ( 2.229 -0.697 -0.919) 2.509 5.946 ( 2.229 0.697 -0.919) 2.509 6.054 ( -1.889 -2.437 0.537) 3.129 6.054 ( -1.889 2.437 0.537) 3.129 6.132 ( -4.034 -1.716 3.970) 5.914 6.132 ( -4.034 1.716 3.970) 5.914 6.192 ( 2.421 -2.240 2.951) 4.426 6.192 ( 2.421 2.240 2.951) 4.426 6.264 ( 3.554 -2.808 0.276) 4.538 6.264 ( 3.554 2.808 0.276) 4.538 6.409 ( -1.725 -0.467 -2.110) 2.765 6.409 ( -1.725 0.467 -2.110) 2.765 6.505 ( 2.905 -4.594 -4.632) 7.141 6.505 ( 2.905 4.594 -4.632) 7.141 6.684 ( -0.243 -0.911 -2.373) 2.553 6.684 ( -0.243 0.911 -2.373) 2.553 6.761 ( 0.116 -2.445 -3.415) 4.201 6.761 ( 0.116 2.445 -3.415) 4.201 6.873 ( -1.053 -6.471 2.324) 6.956 6.873 ( -1.053 6.471 2.324) 6.956 6.966 ( -2.635 -2.260 3.765) 5.121 6.966 ( -2.635 2.260 3.765) 5.121 7.040 ( 0.826 -0.558 0.299) 1.040 7.040 ( 0.826 0.558 0.299) 1.040 7.126 ( 2.014 -2.319 0.291) 3.086 7.126 ( 2.014 2.319 0.291) 3.086 7.228 ( 0.746 -1.901 -2.716) 3.399 7.228 ( 0.746 1.901 -2.716) 3.399 7.480 ( -0.130 -0.399 -2.444) 2.480 7.480 ( -0.130 0.399 -2.444) 2.480 7.615 ( -1.762 -1.496 -0.530) 2.371 7.615 ( -1.762 1.496 -0.530) 2.371 9.693 ( -0.156 -0.311 0.000) 0.348 9.693 ( -0.156 0.311 0.000) 0.348 9.795 ( 0.108 -0.070 0.105) 0.166 9.795 ( 0.108 0.070 0.105) 0.166 10.002 ( 0.847 -1.017 1.622) 2.093 10.002 ( 0.847 1.017 1.622) 2.093 10.055 ( -0.027 -0.496 1.149) 1.252 10.055 ( -0.027 0.496 1.149) 1.252 10.526 ( -0.310 -0.733 0.154) 0.810 10.526 ( -0.310 0.733 0.154) 0.810 10.583 ( 0.014 -0.075 1.162) 1.164 10.583 ( 0.014 0.075 1.162) 1.164 12.546 ( -2.578 -1.003 2.942) 4.038 12.546 ( -2.578 1.003 2.942) 4.038 12.693 ( -1.745 -1.006 1.306) 2.401 12.693 ( -1.745 1.006 1.306) 2.401 12.895 ( 3.673 -2.207 12.364) 13.086 12.895 ( 3.673 2.207 12.364) 13.086 13.268 ( 0.417 -11.448 -5.703) 12.796 13.268 ( 0.417 11.448 -5.703) 12.796 14.022 ( 0.072 -3.613 4.638) 5.879 14.022 ( 0.072 3.613 4.638) 5.879 14.116 ( -0.828 -5.010 1.716) 5.360 14.116 ( -0.828 5.010 1.716) 5.360 14.367 ( -1.215 -2.913 -0.319) 3.172 14.367 ( -1.215 2.913 -0.319) 3.172 14.575 ( 1.555 -2.606 0.030) 3.035 14.575 ( 1.555 2.606 0.030) 3.035 14.843 ( 0.926 -5.626 -2.174) 6.102 14.843 ( 0.926 5.626 -2.174) 6.102 15.293 ( 0.080 -2.834 -12.330) 12.651 15.293 ( 0.080 2.834 -12.330) 12.651 ======================= Grid point 35 (19/45) ======================= q-point: ( 0.25 -0.50 0.14) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 4.240 -4.158 10.262) 11.857 1.039 ( 4.240 4.158 10.262) 11.857 1.273 ( 2.516 -4.515 11.900) 12.974 1.273 ( 2.516 4.515 11.900) 12.974 1.386 ( -4.435 -10.273 0.657) 11.209 1.386 ( -4.435 10.273 0.657) 11.209 1.508 ( -0.011 -5.713 5.711) 8.078 1.508 ( -0.011 5.713 5.711) 8.078 1.709 ( -5.527 -5.914 4.943) 9.485 1.709 ( -5.527 5.914 4.943) 9.485 1.945 ( 0.010 -4.211 3.057) 5.204 1.945 ( 0.010 4.211 3.057) 5.204 1.998 ( -0.109 -9.146 -3.170) 9.681 1.998 ( -0.109 9.146 -3.170) 9.681 2.195 ( 3.637 -9.028 5.029) 10.955 2.195 ( 3.637 9.028 5.029) 10.955 2.382 ( -2.956 -2.813 2.605) 4.841 2.382 ( -2.956 2.813 2.605) 4.841 2.429 ( -0.250 -0.282 1.130) 1.191 2.429 ( -0.250 0.282 1.130) 1.191 2.488 ( -0.643 -3.588 0.023) 3.645 2.488 ( -0.643 3.588 0.023) 3.645 2.556 ( 2.252 -5.120 -0.080) 5.594 2.556 ( 2.252 5.120 -0.080) 5.594 2.677 ( -3.240 -1.660 -3.021) 4.731 2.677 ( -3.240 1.660 -3.021) 4.731 2.729 ( 1.498 -5.541 0.283) 5.746 2.729 ( 1.498 5.541 0.283) 5.746 2.813 ( -1.428 -2.680 -0.024) 3.036 2.813 ( -1.428 2.680 -0.024) 3.036 2.904 ( 1.474 -13.191 0.970) 13.309 2.904 ( 1.474 13.191 0.970) 13.309 3.042 ( -0.408 -2.548 -3.752) 4.554 3.042 ( -0.408 2.548 -3.752) 4.554 3.098 ( 0.297 -6.988 -3.808) 7.964 3.098 ( 0.297 6.988 -3.808) 7.964 3.205 ( -0.491 -4.728 1.591) 5.012 3.205 ( -0.491 4.728 1.591) 5.012 3.283 ( -0.695 -5.635 -1.304) 5.826 3.283 ( -0.695 5.635 -1.304) 5.826 3.418 ( -0.213 -0.094 -1.904) 1.919 3.418 ( -0.213 0.094 -1.904) 1.919 3.466 ( -0.762 -2.695 1.415) 3.138 3.466 ( -0.762 2.695 1.415) 3.138 3.536 ( 6.099 -3.490 -0.413) 7.039 3.536 ( 6.099 3.490 -0.413) 7.039 3.623 ( -1.440 -3.846 -2.368) 4.740 3.623 ( -1.440 3.846 -2.368) 4.740 3.694 ( 1.468 -2.248 -2.624) 3.754 3.694 ( 1.468 2.248 -2.624) 3.754 3.767 ( -1.339 -0.443 0.667) 1.560 3.767 ( -1.339 0.443 0.667) 1.560 3.808 ( -0.413 -4.934 -2.313) 5.465 3.808 ( -0.413 4.934 -2.313) 5.465 3.868 ( -1.678 -3.374 0.439) 3.794 3.868 ( -1.678 3.374 0.439) 3.794 3.930 ( -3.687 -1.943 1.640) 4.478 3.930 ( -3.687 1.943 1.640) 4.478 4.038 ( 0.938 -2.188 -1.101) 2.623 4.038 ( 0.938 2.188 -1.101) 2.623 4.107 ( -0.114 -3.614 4.585) 5.839 4.107 ( -0.114 3.614 4.585) 5.839 4.183 ( 2.718 -2.425 -1.575) 3.969 4.183 ( 2.718 2.425 -1.575) 3.969 4.292 ( 2.594 -1.537 6.833) 7.469 4.292 ( 2.594 1.537 6.833) 7.469 4.360 ( -0.954 -0.717 -0.954) 1.528 4.360 ( -0.954 0.717 -0.954) 1.528 4.426 ( 0.324 -0.657 0.559) 0.921 4.426 ( 0.324 0.657 0.559) 0.921 4.483 ( -0.921 -1.062 0.355) 1.450 4.483 ( -0.921 1.062 0.355) 1.450 4.574 ( -1.607 -5.461 4.004) 6.959 4.574 ( -1.607 5.461 4.004) 6.959 4.665 ( -0.883 -0.658 1.664) 1.996 4.665 ( -0.883 0.658 1.664) 1.996 4.805 ( -1.200 -1.417 1.180) 2.200 4.805 ( -1.200 1.417 1.180) 2.200 4.850 ( -0.731 -5.861 -5.068) 7.783 4.850 ( -0.731 5.861 -5.068) 7.783 4.966 ( -4.531 -2.946 2.400) 5.914 4.966 ( -4.531 2.946 2.400) 5.914 5.111 ( 1.955 -1.974 -0.765) 2.882 5.111 ( 1.955 1.974 -0.765) 2.882 5.162 ( -3.595 -1.859 -0.921) 4.150 5.162 ( -3.595 1.859 -0.921) 4.150 5.218 ( 3.896 -2.652 2.558) 5.362 5.218 ( 3.896 2.652 2.558) 5.362 5.346 ( 0.343 -4.125 -0.664) 4.193 5.346 ( 0.343 4.125 -0.664) 4.193 5.403 ( 0.108 -2.603 -4.085) 4.845 5.403 ( 0.108 2.603 -4.085) 4.845 5.497 ( 0.857 -1.799 -0.165) 1.999 5.497 ( 0.857 1.799 -0.165) 1.999 5.562 ( -0.248 -0.533 -0.169) 0.612 5.562 ( -0.248 0.533 -0.169) 0.612 5.635 ( 2.230 -3.653 -0.722) 4.340 5.635 ( 2.230 3.653 -0.722) 4.340 5.684 ( 4.901 -1.855 -4.790) 7.100 5.684 ( 4.901 1.855 -4.790) 7.100 5.809 ( 0.382 -1.455 -2.844) 3.217 5.809 ( 0.382 1.455 -2.844) 3.217 5.883 ( -1.703 -2.842 -1.816) 3.778 5.883 ( -1.703 2.842 -1.816) 3.778 5.984 ( 0.575 -0.693 0.171) 0.916 5.984 ( 0.575 0.693 0.171) 0.916 6.021 ( -0.960 -1.328 -1.789) 2.426 6.021 ( -0.960 1.328 -1.789) 2.426 6.098 ( 0.036 -3.566 4.317) 5.600 6.098 ( 0.036 3.566 4.317) 5.600 6.249 ( 0.616 -2.893 1.460) 3.299 6.249 ( 0.616 2.893 1.460) 3.299 6.268 ( -1.649 -1.223 1.558) 2.577 6.268 ( -1.649 1.223 1.558) 2.577 6.388 ( -0.371 -0.936 -1.284) 1.632 6.388 ( -0.371 0.936 -1.284) 1.632 6.535 ( 1.324 -3.476 -4.001) 5.464 6.535 ( 1.324 3.476 -4.001) 5.464 6.675 ( 0.482 -1.077 -2.591) 2.847 6.675 ( 0.482 1.077 -2.591) 2.847 6.767 ( 1.365 -2.427 -3.234) 4.267 6.767 ( 1.365 2.427 -3.234) 4.267 6.862 ( 0.276 -5.844 -1.088) 5.951 6.862 ( 0.276 5.845 -1.088) 5.951 6.941 ( -1.054 -1.290 2.382) 2.907 6.941 ( -1.054 1.290 2.382) 2.907 7.049 ( 0.058 -0.743 1.597) 1.763 7.049 ( 0.058 0.743 1.597) 1.763 7.144 ( -0.877 -2.982 1.710) 3.548 7.144 ( -0.877 2.982 1.710) 3.548 7.233 ( 0.539 -1.675 -3.148) 3.606 7.233 ( 0.539 1.675 -3.148) 3.606 7.456 ( -0.936 -0.675 -1.993) 2.304 7.456 ( -0.936 0.675 -1.993) 2.304 7.584 ( -0.861 -1.545 -0.335) 1.800 7.584 ( -0.861 1.545 -0.335) 1.800 9.693 ( 0.187 -0.312 -0.099) 0.377 9.693 ( 0.187 0.312 -0.099) 0.377 9.788 ( -0.721 -0.206 0.177) 0.770 9.788 ( -0.721 0.206 0.177) 0.770 10.022 ( 0.253 -0.292 1.240) 1.298 10.022 ( 0.253 0.292 1.240) 1.298 10.069 ( 0.839 -0.444 1.167) 1.504 10.069 ( 0.839 0.444 1.167) 1.504 10.525 ( 0.117 -0.617 0.168) 0.651 10.525 ( 0.117 0.617 0.168) 0.651 10.586 ( -0.104 -0.088 1.173) 1.181 10.586 ( -0.104 0.088 1.173) 1.181 12.564 ( 1.793 -3.339 4.019) 5.524 12.564 ( 1.793 3.339 4.019) 5.524 12.687 ( 1.770 -2.270 0.812) 2.991 12.687 ( 1.770 2.270 0.812) 2.991 13.010 ( 4.646 -8.416 9.949) 13.835 13.010 ( 4.646 8.416 9.949) 13.835 13.192 ( -6.871 -11.409 -5.367) 14.359 13.192 ( -6.871 11.409 -5.367) 14.359 14.050 ( 1.088 -3.844 4.635) 6.119 14.050 ( 1.088 3.844 4.635) 6.119 14.095 ( -1.771 -4.962 1.212) 5.406 14.095 ( -1.771 4.962 1.212) 5.406 14.346 ( -0.612 -1.284 0.007) 1.422 14.346 ( -0.612 1.284 0.007) 1.422 14.607 ( 1.280 -2.358 -0.179) 2.689 14.607 ( 1.280 2.358 -0.179) 2.689 14.883 ( 4.123 -7.218 -2.431) 8.661 14.883 ( 4.123 7.218 -2.431) 8.661 15.179 ( -6.964 -5.100 -10.087) 13.276 15.179 ( -6.964 5.100 -10.087) 13.276 ======================= Grid point 37 (20/45) ======================= q-point: (-0.50 -0.50 0.14) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 43 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -1.437 -5.907 6.519) 8.914 1.114 ( -1.437 5.907 6.519) 8.914 1.239 ( -6.406 -6.070 9.111) 12.685 1.239 ( -6.406 6.070 9.111) 12.685 1.407 ( 3.228 -1.181 4.316) 5.518 1.407 ( 3.228 1.181 4.316) 5.518 1.541 ( 2.170 -6.809 8.557) 11.149 1.541 ( 2.170 6.809 8.557) 11.149 1.676 ( -0.431 -7.515 7.644) 10.728 1.676 ( -0.431 7.515 7.644) 10.728 1.893 ( -3.216 -3.101 -4.199) 6.131 1.893 ( -3.216 3.101 -4.199) 6.131 2.047 ( 3.324 -3.402 -2.112) 5.204 2.047 ( 3.324 3.402 -2.112) 5.204 2.224 ( -0.674 -3.969 1.368) 4.252 2.224 ( -0.674 3.969 1.368) 4.252 2.319 ( -4.518 -4.284 3.236) 7.017 2.319 ( -4.518 4.284 3.236) 7.017 2.360 ( -2.738 -1.805 -1.748) 3.717 2.360 ( -2.738 1.805 -1.748) 3.717 2.484 ( -0.565 -3.709 1.579) 4.070 2.484 ( -0.565 3.709 1.579) 4.070 2.604 ( -1.421 -4.507 0.546) 4.757 2.604 ( -1.421 4.507 0.546) 4.757 2.681 ( 1.919 -1.839 1.705) 3.157 2.681 ( 1.919 1.839 1.705) 3.157 2.691 ( -1.942 -5.027 -0.137) 5.391 2.691 ( -1.942 5.027 -0.137) 5.391 2.825 ( 2.323 -0.922 0.240) 2.511 2.825 ( 2.323 0.922 0.240) 2.511 2.913 ( 0.326 -12.023 -1.279) 12.096 2.913 ( 0.326 12.023 -1.279) 12.096 3.063 ( 2.907 -1.444 0.341) 3.264 3.063 ( 2.907 1.444 0.341) 3.264 3.132 ( 2.733 -2.564 -3.743) 5.297 3.132 ( 2.733 2.564 -3.743) 5.297 3.227 ( 1.599 -6.501 4.805) 8.240 3.227 ( 1.599 6.501 4.805) 8.240 3.255 ( 0.088 -5.861 -0.954) 5.939 3.255 ( 0.088 5.861 -0.954) 5.939 3.389 ( -0.618 -0.980 -3.268) 3.467 3.389 ( -0.618 0.980 -3.268) 3.467 3.469 ( -0.083 -3.968 3.213) 5.107 3.469 ( -0.083 3.968 3.213) 5.107 3.570 ( -1.009 -3.242 -4.522) 5.655 3.570 ( -1.009 3.242 -4.522) 5.655 3.616 ( -3.804 -4.563 -4.188) 7.268 3.616 ( -3.804 4.563 -4.188) 7.268 3.662 ( -1.310 -4.545 -4.863) 6.784 3.662 ( -1.310 4.545 -4.863) 6.784 3.756 ( 1.966 -0.644 -0.764) 2.206 3.756 ( 1.966 0.644 -0.764) 2.206 3.822 ( -1.672 -6.466 2.801) 7.242 3.822 ( -1.672 6.466 2.801) 7.242 3.838 ( 1.817 -4.324 -3.120) 5.633 3.838 ( 1.817 4.324 -3.120) 5.633 3.894 ( 0.725 -2.784 2.504) 3.814 3.894 ( 0.725 2.784 2.504) 3.814 4.015 ( -3.267 -3.995 0.088) 5.161 4.015 ( -3.267 3.995 0.088) 5.161 4.141 ( 2.366 -1.181 0.214) 2.653 4.141 ( 2.366 1.181 0.214) 2.653 4.215 ( -1.037 -2.033 -0.288) 2.301 4.215 ( -1.037 2.033 -0.288) 2.301 4.274 ( -1.493 -2.420 2.822) 4.007 4.274 ( -1.493 2.420 2.822) 4.007 4.396 ( 0.224 -1.599 4.657) 4.929 4.396 ( 0.224 1.599 4.657) 4.929 4.436 ( 1.899 -2.301 3.083) 4.290 4.436 ( 1.899 2.301 3.083) 4.290 4.512 ( 1.493 -1.370 0.473) 2.081 4.512 ( 1.493 1.370 0.473) 2.081 4.572 ( 1.239 -4.054 2.516) 4.930 4.572 ( 1.239 4.054 2.516) 4.930 4.679 ( 0.490 -1.169 2.121) 2.471 4.679 ( 0.490 1.169 2.121) 2.471 4.806 ( 0.626 -4.288 4.728) 6.414 4.806 ( 0.626 4.288 4.728) 6.414 4.837 ( -0.067 -3.478 -2.543) 4.309 4.837 ( -0.067 3.478 -2.543) 4.309 4.902 ( 0.040 -3.806 -1.886) 4.247 4.902 ( 0.040 3.806 -1.886) 4.247 5.086 ( -2.263 -2.007 -2.058) 3.659 5.086 ( -2.263 2.007 -2.058) 3.659 5.155 ( 1.549 -1.995 1.309) 2.845 5.155 ( 1.549 1.995 1.309) 2.845 5.262 ( -1.705 -2.052 2.322) 3.537 5.262 ( -1.705 2.052 2.322) 3.537 5.333 ( 0.201 -4.632 -0.174) 4.639 5.333 ( 0.201 4.632 -0.174) 4.639 5.407 ( 1.168 -4.102 -2.956) 5.189 5.407 ( 1.168 4.102 -2.956) 5.189 5.478 ( -2.921 -1.740 1.849) 3.870 5.478 ( -2.921 1.740 1.849) 3.870 5.571 ( 2.343 -2.588 -3.843) 5.192 5.571 ( 2.343 2.588 -3.843) 5.192 5.673 ( 0.250 -2.538 -1.822) 3.135 5.673 ( 0.250 2.538 -1.822) 3.135 5.758 ( 1.461 -0.962 -4.592) 4.914 5.758 ( 1.461 0.962 -4.592) 4.914 5.791 ( -2.290 -2.869 -8.205) 8.989 5.791 ( -2.290 2.869 -8.205) 8.989 5.860 ( 3.693 -1.620 1.227) 4.215 5.860 ( 3.693 1.620 1.227) 4.215 5.944 ( -2.298 -0.856 1.443) 2.845 5.944 ( -2.298 0.856 1.443) 2.845 6.028 ( 1.431 -0.951 -2.427) 2.973 6.028 ( 1.431 0.951 -2.427) 2.973 6.138 ( 1.310 -3.752 3.910) 5.575 6.138 ( 1.310 3.752 3.910) 5.575 6.203 ( -3.472 -2.386 0.775) 4.283 6.203 ( -3.472 2.386 0.775) 4.283 6.256 ( -1.890 -3.010 3.371) 4.898 6.256 ( -1.890 3.010 3.371) 4.898 6.377 ( 0.059 -1.505 0.108) 1.510 6.377 ( 0.059 1.505 0.108) 1.510 6.527 ( -0.743 -2.325 -3.050) 3.907 6.527 ( -0.743 2.325 -3.050) 3.907 6.683 ( 1.060 -2.423 -3.978) 4.777 6.683 ( 1.060 2.423 -3.978) 4.777 6.791 ( 1.781 -2.324 -3.814) 4.808 6.791 ( 1.781 2.324 -3.814) 4.808 6.879 ( 1.422 -3.655 -2.090) 4.444 6.879 ( 1.422 3.655 -2.090) 4.444 6.943 ( 1.107 -2.346 0.987) 2.776 6.943 ( 1.107 2.346 0.987) 2.776 7.052 ( -0.368 -0.980 1.258) 1.636 7.052 ( -0.368 0.980 1.258) 1.636 7.107 ( -3.094 -2.755 2.593) 4.887 7.107 ( -3.094 2.755 2.593) 4.887 7.229 ( 0.177 -2.078 -3.052) 3.697 7.229 ( 0.177 2.078 -3.052) 3.697 7.448 ( 0.599 -0.933 -1.441) 1.818 7.448 ( 0.599 0.933 -1.441) 1.818 7.595 ( 1.721 -1.271 0.805) 2.286 7.595 ( 1.721 1.271 0.805) 2.286 9.697 ( 0.201 -0.132 -0.071) 0.251 9.697 ( 0.201 0.132 -0.071) 0.251 9.778 ( -0.248 -0.077 0.122) 0.287 9.778 ( -0.248 0.077 0.122) 0.287 10.018 ( -0.846 -0.228 0.871) 1.236 10.018 ( -0.846 0.228 0.871) 1.236 10.077 ( -0.461 -0.489 0.778) 1.028 10.077 ( -0.461 0.489 0.778) 1.028 10.529 ( 0.215 -0.509 0.362) 0.661 10.529 ( 0.215 0.509 0.362) 0.661 10.585 ( -0.375 -0.199 1.075) 1.155 10.585 ( -0.375 0.199 1.075) 1.155 12.597 ( 0.446 -4.792 6.530) 8.112 12.597 ( 0.446 4.792 6.530) 8.112 12.759 ( 3.476 -3.454 4.825) 6.877 12.759 ( 3.476 3.454 4.825) 6.877 12.989 ( -11.906 -9.932 -5.567) 16.474 12.989 ( -11.906 9.932 -5.567) 16.474 13.126 ( 5.335 -13.441 1.717) 14.562 13.126 ( 5.335 13.441 1.717) 14.562 14.050 ( -2.223 -3.358 2.725) 4.863 14.050 ( -2.223 3.358 2.725) 4.863 14.095 ( 1.065 -4.640 2.694) 5.470 14.095 ( 1.065 4.640 2.694) 5.470 14.351 ( 0.873 -0.806 1.032) 1.573 14.351 ( 0.873 0.806 1.032) 1.573 14.607 ( -1.058 -2.213 -1.483) 2.866 14.607 ( -1.058 2.213 -1.483) 2.866 14.922 ( -1.743 -1.805 -4.797) 5.414 14.922 ( -1.743 1.805 -4.797) 5.414 15.098 ( 4.577 -2.807 -5.160) 7.447 15.098 ( 4.577 2.807 -5.160) 7.447 ======================= Grid point 39 (21/45) ======================= q-point: (-0.25 -0.50 0.14) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -5.569 -5.555 9.180) 12.089 1.062 ( -5.569 5.555 9.180) 12.089 1.151 ( -5.159 -2.882 13.811) 15.023 1.151 ( -5.159 2.882 13.811) 15.023 1.447 ( -0.108 -3.782 -0.659) 3.840 1.447 ( -0.108 3.782 -0.659) 3.840 1.563 ( -3.226 -3.210 4.818) 6.627 1.563 ( -3.226 3.210 4.818) 6.627 1.759 ( 7.508 -4.706 6.502) 10.991 1.759 ( 7.508 4.706 6.502) 10.991 1.873 ( 0.155 -9.961 2.970) 10.395 1.873 ( 0.155 9.961 2.970) 10.395 2.067 ( 1.588 -2.950 1.525) 3.681 2.067 ( 1.588 2.950 1.525) 3.681 2.197 ( -10.018 -12.071 6.692) 17.054 2.197 ( -10.018 12.071 6.692) 17.054 2.230 ( -2.446 -1.618 0.228) 2.942 2.230 ( -2.446 1.618 0.228) 2.942 2.355 ( 5.987 -3.093 -4.659) 8.192 2.355 ( 5.987 3.093 -4.659) 8.192 2.495 ( 1.971 -4.226 -0.438) 4.683 2.495 ( 1.971 4.226 -0.438) 4.683 2.572 ( -0.638 -0.612 -2.322) 2.484 2.572 ( -0.638 0.612 -2.322) 2.484 2.648 ( -1.075 -1.915 -1.622) 2.730 2.648 ( -1.075 1.915 -1.622) 2.730 2.719 ( 0.287 -2.556 1.428) 2.942 2.719 ( 0.287 2.556 1.428) 2.942 2.870 ( 0.761 -7.721 -2.887) 8.278 2.870 ( 0.761 7.721 -2.887) 8.278 2.961 ( 4.573 -7.683 0.382) 8.949 2.961 ( 4.573 7.683 0.382) 8.949 3.070 ( -1.983 -3.753 0.828) 4.324 3.070 ( -1.983 3.753 0.828) 4.324 3.143 ( 0.754 -1.241 -2.640) 3.013 3.143 ( 0.754 1.241 -2.640) 3.013 3.244 ( -1.333 -4.530 0.990) 4.824 3.244 ( -1.333 4.530 0.990) 4.824 3.313 ( 0.570 -4.562 1.002) 4.706 3.313 ( 0.570 4.562 1.002) 4.706 3.382 ( 0.969 -2.335 -0.949) 2.700 3.382 ( 0.969 2.335 -0.949) 2.700 3.452 ( -1.943 -1.436 -2.657) 3.591 3.452 ( -1.943 1.436 -2.657) 3.591 3.541 ( -0.475 -2.646 -2.522) 3.686 3.541 ( -0.475 2.646 -2.522) 3.686 3.566 ( 0.169 -1.752 -3.659) 4.060 3.566 ( 0.169 1.752 -3.659) 4.060 3.612 ( 2.533 -6.627 -1.659) 7.286 3.612 ( 2.533 6.627 -1.659) 7.286 3.743 ( -2.416 -2.520 -0.085) 3.492 3.743 ( -2.416 2.520 -0.085) 3.492 3.836 ( -0.077 -3.306 0.951) 3.441 3.836 ( -0.077 3.306 0.951) 3.441 3.869 ( 2.236 -2.447 0.083) 3.316 3.869 ( 2.236 2.447 0.083) 3.316 3.957 ( 3.361 -3.076 4.094) 6.125 3.957 ( 3.361 3.076 4.094) 6.125 3.980 ( 0.686 -2.729 -0.058) 2.815 3.980 ( 0.686 2.729 -0.058) 2.815 4.118 ( -5.279 -3.175 1.088) 6.256 4.118 ( -5.279 3.175 1.088) 6.256 4.166 ( -0.591 -1.979 -1.507) 2.556 4.166 ( -0.591 1.979 -1.507) 2.556 4.295 ( -0.901 -1.048 2.850) 3.168 4.295 ( -0.901 1.048 2.850) 3.168 4.400 ( -0.683 -1.206 5.552) 5.722 4.400 ( -0.683 1.206 5.552) 5.722 4.485 ( -0.829 -0.824 1.621) 1.999 4.485 ( -0.829 0.824 1.621) 1.999 4.502 ( -0.782 -1.303 1.123) 1.890 4.502 ( -0.782 1.303 1.123) 1.890 4.585 ( 0.820 -3.060 3.004) 4.366 4.585 ( 0.820 3.060 3.004) 4.366 4.712 ( 1.080 -2.564 -0.164) 2.787 4.712 ( 1.080 2.564 -0.164) 2.787 4.803 ( 0.536 -2.720 1.347) 3.083 4.803 ( 0.536 2.720 1.347) 3.083 4.874 ( 2.775 -2.846 -1.572) 4.275 4.874 ( 2.775 2.846 -1.572) 4.275 4.978 ( 5.520 -1.923 -0.653) 5.882 4.978 ( 5.520 1.923 -0.653) 5.882 5.054 ( -0.295 -4.091 -2.025) 4.575 5.054 ( -0.295 4.091 -2.025) 4.575 5.161 ( -1.577 -1.527 0.445) 2.240 5.161 ( -1.577 1.527 0.445) 2.240 5.213 ( -1.772 -2.804 0.686) 3.387 5.213 ( -1.772 2.804 0.686) 3.387 5.329 ( -2.082 -2.696 1.424) 3.692 5.329 ( -2.082 2.696 1.424) 3.692 5.417 ( 0.790 -0.871 -3.956) 4.127 5.417 ( 0.790 0.871 -3.956) 4.127 5.454 ( 1.339 -0.824 0.339) 1.608 5.454 ( 1.339 0.824 0.339) 1.608 5.601 ( -4.879 -2.545 0.286) 5.510 5.601 ( -4.879 2.545 0.286) 5.510 5.615 ( 2.250 -1.676 -4.409) 5.226 5.615 ( 2.250 1.676 -4.409) 5.226 5.695 ( -1.791 -4.726 -4.274) 6.619 5.695 ( -1.791 4.726 -4.274) 6.619 5.806 ( 1.291 -1.968 -0.997) 2.556 5.806 ( 1.291 1.968 -0.997) 2.556 5.894 ( 0.658 -1.629 -4.959) 5.261 5.894 ( 0.658 1.629 -4.959) 5.261 5.922 ( -1.020 -1.733 -1.628) 2.587 5.922 ( -1.020 1.733 -1.628) 2.587 6.088 ( 1.304 -2.077 1.588) 2.922 6.088 ( 1.304 2.077 1.588) 2.922 6.129 ( -0.313 -2.918 2.033) 3.570 6.129 ( -0.313 2.918 2.033) 3.570 6.180 ( 2.372 -2.591 0.792) 3.601 6.180 ( 2.372 2.591 0.792) 3.601 6.219 ( -3.730 -2.440 4.250) 6.159 6.219 ( -3.730 2.440 4.250) 6.159 6.409 ( 2.829 -3.229 -1.298) 4.485 6.409 ( 2.829 3.229 -1.298) 4.485 6.496 ( -1.180 -0.299 -3.126) 3.355 6.496 ( -1.180 0.299 -3.126) 3.355 6.687 ( 0.761 -2.680 -3.851) 4.753 6.687 ( 0.761 2.680 -3.851) 4.753 6.786 ( -0.898 -3.185 -4.096) 5.266 6.786 ( -0.898 3.185 -4.096) 5.266 6.882 ( -0.739 -4.315 1.739) 4.711 6.882 ( -0.739 4.315 1.739) 4.711 6.984 ( 1.279 -2.290 2.670) 3.742 6.984 ( 1.279 2.290 2.670) 3.742 7.032 ( -1.431 -2.650 0.626) 3.076 7.032 ( -1.431 2.650 0.626) 3.076 7.090 ( 1.136 -1.528 0.257) 1.922 7.090 ( 1.136 1.528 0.257) 1.922 7.226 ( 0.428 -2.287 -2.704) 3.567 7.226 ( 0.428 2.287 -2.704) 3.567 7.467 ( 1.726 -0.922 -1.807) 2.664 7.467 ( 1.726 0.922 -1.807) 2.664 7.627 ( 0.811 -1.371 0.575) 1.694 7.627 ( 0.811 1.371 0.575) 1.694 9.697 ( -0.212 -0.114 0.047) 0.245 9.697 ( -0.212 0.114 0.047) 0.245 9.784 ( 0.780 -0.183 0.066) 0.804 9.784 ( 0.780 0.183 0.066) 0.804 10.001 ( -1.024 -0.832 1.009) 1.661 10.001 ( -1.024 0.832 1.009) 1.661 10.063 ( -0.989 -0.509 0.846) 1.397 10.063 ( -0.989 0.509 0.846) 1.397 10.531 ( -0.193 -0.623 0.361) 0.746 10.531 ( -0.193 0.623 0.361) 0.746 10.582 ( -0.262 -0.165 1.052) 1.097 10.582 ( -0.262 0.165 1.052) 1.097 12.613 ( -2.741 -2.619 7.998) 8.851 12.613 ( -2.741 2.619 7.998) 8.851 12.759 ( -7.771 -3.962 -1.853) 8.917 12.759 ( -7.771 3.962 -1.853) 8.917 12.823 ( 0.805 -2.120 7.262) 7.608 12.823 ( 0.805 2.120 7.262) 7.608 13.225 ( 5.281 -12.757 -4.565) 14.542 13.225 ( 5.281 12.757 -4.565) 14.542 14.023 ( -1.470 -3.381 3.702) 5.225 14.023 ( -1.470 3.381 3.702) 5.225 14.115 ( 0.237 -4.804 2.211) 5.294 14.115 ( 0.237 4.804 2.211) 5.294 14.373 ( 0.685 -2.847 0.955) 3.080 14.373 ( 0.685 2.847 0.955) 3.080 14.574 ( -1.261 -1.792 -1.556) 2.687 14.574 ( -1.261 1.792 -1.556) 2.687 14.859 ( -1.908 -5.562 -3.000) 6.601 14.859 ( -1.908 5.562 -3.000) 6.601 15.233 ( 8.828 -4.920 -8.690) 13.329 15.233 ( 8.828 4.920 -8.690) 13.329 ======================= Grid point 45 (22/45) ======================= q-point: ( 0.00 0.00 0.29) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 3.009 0.000 24.564) 24.747 1.008 ( -6.057 0.000 26.283) 26.972 1.332 ( 0.281 0.000 8.377) 8.381 1.546 ( -3.626 0.000 6.651) 7.575 1.657 ( -1.082 0.000 -1.171) 1.594 1.688 ( -12.252 0.000 4.900) 13.195 1.822 ( 0.907 0.000 11.974) 12.009 1.823 ( 0.629 0.000 5.711) 5.745 1.830 ( 2.924 0.000 3.566) 4.611 1.892 ( -0.665 0.000 2.619) 2.702 1.910 ( -1.554 0.000 7.635) 7.791 1.962 ( 2.256 0.000 -2.068) 3.060 1.980 ( 0.348 0.000 18.351) 18.355 2.038 ( 5.861 0.000 6.923) 9.071 2.043 ( -3.493 0.000 3.266) 4.782 2.259 ( -5.322 0.000 -5.721) 7.814 2.305 ( 4.603 0.000 6.558) 8.012 2.314 ( 0.909 0.000 2.477) 2.638 2.363 ( 1.683 0.000 -7.319) 7.510 2.391 ( 0.669 0.000 -7.976) 8.004 2.428 ( -0.835 0.000 -5.595) 5.657 2.464 ( -3.759 0.000 -3.152) 4.906 2.564 ( 1.687 0.000 2.436) 2.963 2.579 ( 2.694 0.000 2.702) 3.816 2.687 ( 3.144 0.000 0.911) 3.273 2.696 ( 3.092 0.000 5.955) 6.710 2.707 ( -0.207 0.000 0.011) 0.208 2.767 ( -4.544 0.000 1.679) 4.844 2.856 ( -1.065 0.000 1.465) 1.812 2.862 ( -3.582 0.000 2.166) 4.186 2.897 ( 1.633 0.000 -2.343) 2.855 2.911 ( -0.303 0.000 -1.978) 2.001 3.007 ( 2.206 0.000 -3.071) 3.781 3.027 ( -1.952 0.000 -2.089) 2.859 3.070 ( -3.869 0.000 -3.349) 5.117 3.125 ( 6.544 0.000 -2.198) 6.903 3.134 ( 2.029 0.000 1.310) 2.415 3.154 ( 0.982 0.000 -7.556) 7.619 3.242 ( -4.504 0.000 -2.014) 4.934 3.285 ( 2.571 0.000 -9.373) 9.719 3.324 ( 0.918 0.000 0.126) 0.927 3.360 ( 2.504 0.000 -2.701) 3.683 3.372 ( 2.069 0.000 -1.444) 2.523 3.440 ( 2.373 0.000 -0.193) 2.381 3.530 ( 5.050 0.000 1.293) 5.212 3.548 ( 0.915 0.000 -0.519) 1.052 3.551 ( -3.861 0.000 1.088) 4.011 3.585 ( -3.965 0.000 -1.790) 4.350 3.680 ( 2.362 0.000 -5.368) 5.865 3.693 ( -5.339 0.000 1.703) 5.604 3.730 ( -1.591 0.000 -7.290) 7.462 3.762 ( 1.905 0.000 2.205) 2.913 3.764 ( -2.654 0.000 -1.022) 2.844 3.829 ( 1.884 0.000 0.548) 1.962 3.842 ( -2.596 0.000 -5.021) 5.653 3.923 ( -0.952 0.000 0.533) 1.091 3.977 ( -5.760 0.000 0.501) 5.781 4.039 ( 0.145 0.000 0.950) 0.961 4.056 ( 4.288 0.000 3.232) 5.369 4.100 ( 5.252 0.000 3.252) 6.177 4.147 ( -6.387 0.000 -7.807) 10.087 4.190 ( 5.592 0.000 9.014) 10.608 4.262 ( -2.322 0.000 2.831) 3.662 4.300 ( 2.471 0.000 5.613) 6.133 4.310 ( -1.401 0.000 -2.977) 3.290 4.315 ( 5.675 0.000 3.011) 6.424 4.394 ( 5.033 0.000 4.631) 6.840 4.407 ( -0.809 0.000 2.658) 2.779 4.464 ( -4.010 0.000 7.303) 8.332 4.490 ( -2.124 0.000 -0.989) 2.343 4.534 ( -0.204 0.000 -5.031) 5.035 4.564 ( 0.737 0.000 1.955) 2.089 4.582 ( 3.440 0.000 3.020) 4.578 4.605 ( -1.221 0.000 3.501) 3.708 4.656 ( 1.977 0.000 -0.831) 2.145 4.697 ( -0.025 0.000 -2.096) 2.096 4.746 ( -2.186 0.000 -1.931) 2.916 4.784 ( -2.713 0.000 3.293) 4.267 4.834 ( -3.993 0.000 6.464) 7.598 4.898 ( 2.684 0.000 -1.024) 2.873 4.969 ( -5.521 0.000 2.191) 5.940 5.028 ( 1.895 0.000 0.035) 1.896 5.030 ( -2.982 0.000 -1.425) 3.305 5.061 ( 2.247 0.000 0.729) 2.363 5.096 ( 1.124 0.000 3.097) 3.295 5.183 ( -3.047 0.000 2.191) 3.754 5.209 ( -0.073 0.000 -2.197) 2.198 5.220 ( -4.448 0.000 5.162) 6.814 5.288 ( 1.812 0.000 -4.204) 4.578 5.312 ( 2.163 0.000 -4.908) 5.364 5.347 ( 1.139 0.000 0.439) 1.220 5.410 ( -3.734 0.000 1.793) 4.142 5.417 ( 2.252 0.000 -5.082) 5.559 5.468 ( 2.104 0.000 -1.197) 2.420 5.500 ( 1.354 0.000 0.316) 1.390 5.591 ( 2.252 0.000 -2.841) 3.625 5.649 ( -2.937 0.000 6.058) 6.733 5.655 ( -4.185 0.000 2.953) 5.122 5.675 ( -2.177 0.000 1.941) 2.917 5.695 ( 3.256 0.000 0.405) 3.281 5.824 ( 2.713 0.000 1.257) 2.990 5.825 ( 4.899 0.000 -0.864) 4.974 5.853 ( 0.313 0.000 -0.457) 0.554 5.897 ( 2.509 0.000 -0.503) 2.559 5.928 ( -5.003 0.000 -2.535) 5.609 5.974 ( 2.253 0.000 -3.799) 4.417 5.983 ( -2.762 0.000 1.541) 3.163 5.996 ( -0.459 0.000 4.245) 4.270 6.077 ( 1.327 0.000 -5.001) 5.174 6.122 ( 0.214 0.000 0.145) 0.258 6.191 ( 1.089 0.000 -2.818) 3.021 6.192 ( -2.419 0.000 -2.891) 3.769 6.250 ( 0.266 0.000 3.191) 3.202 6.278 ( 3.356 0.000 -5.486) 6.431 6.311 ( 1.098 0.000 -6.199) 6.295 6.346 ( 1.985 0.000 2.626) 3.291 6.434 ( 1.190 0.000 -4.526) 4.680 6.459 ( -1.020 0.000 -3.424) 3.573 6.483 ( 0.501 0.000 -7.871) 7.887 6.581 ( 2.627 0.000 -5.744) 6.316 6.668 ( -0.483 0.000 -0.426) 0.644 6.695 ( -0.760 0.000 -0.186) 0.782 6.792 ( -2.093 0.000 2.072) 2.945 6.922 ( 1.044 0.000 -1.163) 1.563 7.014 ( -1.607 0.000 0.544) 1.697 7.026 ( 2.083 0.000 0.086) 2.085 7.079 ( -2.770 0.000 -1.353) 3.083 7.096 ( 0.987 0.000 -0.667) 1.191 7.109 ( 0.651 0.000 1.140) 1.313 7.160 ( 5.247 0.000 -1.805) 5.548 7.182 ( 0.849 0.000 -1.749) 1.944 7.350 ( -10.718 0.000 -4.869) 11.772 7.449 ( 1.248 0.000 0.015) 1.248 7.462 ( -0.948 0.000 0.606) 1.125 7.572 ( 1.475 0.000 -0.134) 1.481 7.603 ( -1.605 0.000 -1.038) 1.911 9.689 ( -0.642 0.000 0.193) 0.671 9.698 ( 0.107 0.000 -0.221) 0.245 9.797 ( 0.796 0.000 0.147) 0.809 9.799 ( -0.747 0.000 0.089) 0.752 10.003 ( 0.879 0.000 1.404) 1.656 10.048 ( 0.412 0.000 0.678) 0.793 10.064 ( -0.018 0.000 1.021) 1.021 10.089 ( -0.133 0.000 0.624) 0.638 10.516 ( -0.250 0.000 0.747) 0.787 10.544 ( -0.330 0.000 -0.061) 0.336 10.608 ( -0.120 0.000 1.427) 1.432 10.612 ( 0.013 0.000 1.466) 1.466 12.487 ( -0.114 0.000 0.207) 0.236 12.618 ( -3.871 0.000 -3.529) 5.238 12.753 ( -3.852 0.000 5.520) 6.731 12.770 ( -2.397 0.000 2.791) 3.679 13.000 ( -0.101 0.000 -0.504) 0.514 13.145 ( 0.759 0.000 11.874) 11.898 13.296 ( 1.957 0.000 -13.236) 13.379 13.678 ( 5.839 0.000 -6.495) 8.734 14.140 ( 6.555 0.000 4.426) 7.909 14.180 ( -0.010 0.000 2.983) 2.983 14.197 ( 0.058 0.000 4.912) 4.912 14.255 ( 0.412 0.000 0.096) 0.423 14.312 ( -1.147 0.000 -0.812) 1.406 14.331 ( 0.884 0.000 -0.895) 1.257 14.392 ( 0.214 0.000 3.083) 3.090 14.505 ( -1.907 0.000 -2.548) 3.183 14.546 ( -1.903 0.000 5.807) 6.111 14.731 ( -0.055 0.000 1.898) 1.899 14.895 ( 2.770 0.000 -5.239) 5.927 15.160 ( 0.109 0.000 -9.570) 9.571 ======================= Grid point 46 (23/45) ======================= q-point: ( 0.25 0.00 0.29) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 2.769 0.000 19.548) 19.743 1.145 ( 8.922 0.000 21.125) 22.932 1.259 ( -11.313 0.000 8.793) 14.329 1.382 ( -14.168 0.000 10.099) 17.399 1.535 ( -3.634 0.000 8.631) 9.365 1.670 ( 0.069 0.000 -0.777) 0.780 1.670 ( -10.006 0.000 1.428) 10.108 1.808 ( -3.431 0.000 0.378) 3.452 1.831 ( -2.501 0.000 0.548) 2.561 1.861 ( 1.140 0.000 7.581) 7.666 1.972 ( 0.946 0.000 5.099) 5.186 2.045 ( 6.922 0.000 0.315) 6.929 2.097 ( 3.244 0.000 3.384) 4.687 2.110 ( 5.726 0.000 1.112) 5.833 2.185 ( 3.622 0.000 8.649) 9.377 2.236 ( 1.631 0.000 10.195) 10.325 2.271 ( -6.784 0.000 -4.215) 7.987 2.350 ( 2.878 0.000 -0.478) 2.917 2.376 ( 4.266 0.000 0.059) 4.266 2.389 ( -2.482 0.000 5.454) 5.992 2.395 ( -3.522 0.000 -7.529) 8.312 2.478 ( 5.503 0.000 -2.409) 6.007 2.558 ( -1.322 0.000 -1.524) 2.018 2.628 ( 0.769 0.000 4.699) 4.761 2.677 ( -2.486 0.000 -0.402) 2.519 2.691 ( -1.318 0.000 0.158) 1.327 2.699 ( -2.245 0.000 7.579) 7.904 2.773 ( -1.920 0.000 3.179) 3.714 2.815 ( -5.022 0.000 4.288) 6.604 2.841 ( 0.054 0.000 3.580) 3.580 2.868 ( 3.820 0.000 2.922) 4.810 2.926 ( -0.777 0.000 -5.345) 5.401 2.989 ( 2.327 0.000 0.693) 2.428 2.993 ( -2.444 0.000 -3.474) 4.248 3.074 ( 0.977 0.000 -3.100) 3.250 3.108 ( -2.151 0.000 -0.927) 2.343 3.153 ( -2.656 0.000 -1.883) 3.256 3.199 ( 6.912 0.000 -3.745) 7.862 3.206 ( -3.497 0.000 -3.619) 5.032 3.296 ( 1.491 0.000 -11.901) 11.994 3.314 ( 4.104 0.000 -0.308) 4.115 3.394 ( 0.700 0.000 -3.787) 3.851 3.406 ( -4.662 0.000 0.773) 4.726 3.486 ( 3.515 0.000 0.259) 3.525 3.509 ( -5.632 0.000 -7.282) 9.206 3.519 ( -2.453 0.000 -1.709) 2.990 3.550 ( 4.236 0.000 -4.202) 5.966 3.591 ( 1.965 0.000 -2.889) 3.494 3.639 ( 0.817 0.000 -2.326) 2.465 3.668 ( -3.106 0.000 -4.800) 5.717 3.702 ( 2.034 0.000 4.889) 5.295 3.723 ( 0.257 0.000 1.833) 1.851 3.814 ( 4.752 0.000 -0.799) 4.819 3.857 ( 2.088 0.000 -2.596) 3.331 3.860 ( 1.082 0.000 0.696) 1.287 3.906 ( -2.049 0.000 -1.169) 2.359 3.925 ( -0.577 0.000 3.171) 3.223 4.011 ( -2.461 0.000 -4.468) 5.101 4.037 ( 0.690 0.000 -0.295) 0.750 4.125 ( 2.606 0.000 -0.139) 2.609 4.150 ( -2.605 0.000 0.661) 2.687 4.202 ( -4.179 0.000 8.007) 9.032 4.254 ( -4.376 0.000 -0.836) 4.455 4.256 ( -1.729 0.000 -0.330) 1.760 4.354 ( 1.072 0.000 3.254) 3.426 4.359 ( -0.823 0.000 1.098) 1.372 4.413 ( 3.278 0.000 6.490) 7.271 4.438 ( 1.879 0.000 1.483) 2.394 4.494 ( -1.802 0.000 -4.774) 5.103 4.505 ( 5.031 0.000 -5.489) 7.446 4.525 ( -4.497 0.000 1.540) 4.753 4.557 ( 1.952 0.000 6.835) 7.108 4.627 ( -0.517 0.000 2.280) 2.337 4.631 ( -1.078 0.000 5.677) 5.778 4.659 ( -3.614 0.000 -0.407) 3.637 4.662 ( -0.610 0.000 -1.527) 1.644 4.696 ( 1.908 0.000 4.508) 4.895 4.800 ( -1.613 0.000 3.812) 4.139 4.804 ( 1.515 0.000 2.941) 3.309 4.883 ( -1.300 0.000 4.187) 4.384 4.957 ( -1.484 0.000 2.433) 2.850 4.976 ( 3.993 0.000 -0.544) 4.030 5.025 ( -0.794 0.000 0.803) 1.129 5.082 ( -0.396 0.000 -1.595) 1.644 5.138 ( -0.375 0.000 0.725) 0.816 5.150 ( -3.213 0.000 1.774) 3.670 5.157 ( 1.123 0.000 -0.332) 1.171 5.256 ( 4.171 0.000 0.965) 4.281 5.340 ( 3.878 0.000 -2.371) 4.545 5.343 ( 1.415 0.000 -4.848) 5.050 5.364 ( -0.356 0.000 0.609) 0.705 5.399 ( 4.015 0.000 -4.380) 5.942 5.485 ( 1.250 0.000 0.639) 1.403 5.492 ( -3.006 0.000 -2.404) 3.849 5.503 ( 3.129 0.000 -1.927) 3.675 5.503 ( -3.142 0.000 -3.320) 4.571 5.594 ( -4.114 0.000 4.469) 6.075 5.663 ( 4.570 0.000 1.064) 4.692 5.673 ( -0.131 0.000 3.707) 3.709 5.705 ( -3.983 0.000 4.712) 6.170 5.806 ( -2.839 0.000 -5.641) 6.315 5.830 ( -4.222 0.000 0.351) 4.237 5.880 ( 0.911 0.000 2.088) 2.278 5.912 ( 3.398 0.000 -3.645) 4.983 5.925 ( 1.215 0.000 -1.436) 1.881 5.927 ( -3.277 0.000 1.903) 3.789 6.005 ( 0.680 0.000 -1.675) 1.808 6.012 ( 0.556 0.000 6.973) 6.995 6.085 ( -2.668 0.000 -3.225) 4.186 6.127 ( 5.584 0.000 -4.352) 7.080 6.178 ( -2.102 0.000 -3.349) 3.955 6.217 ( 2.262 0.000 -1.458) 2.691 6.270 ( 0.760 0.000 -3.294) 3.381 6.273 ( 0.911 0.000 2.776) 2.921 6.336 ( 3.166 0.000 -3.790) 4.938 6.403 ( 2.998 0.000 -3.357) 4.501 6.416 ( -1.795 0.000 -4.348) 4.704 6.447 ( 1.944 0.000 -8.441) 8.662 6.527 ( 4.743 0.000 -3.437) 5.857 6.611 ( 2.111 0.000 -5.890) 6.257 6.649 ( -1.297 0.000 -0.826) 1.537 6.681 ( -0.178 0.000 -1.387) 1.399 6.762 ( -0.947 0.000 1.561) 1.826 6.915 ( -3.415 0.000 2.005) 3.960 6.959 ( -5.914 0.000 2.108) 6.278 6.981 ( -1.373 0.000 0.251) 1.395 7.079 ( 1.127 0.000 0.956) 1.477 7.093 ( -0.593 0.000 -1.000) 1.163 7.137 ( 1.385 0.000 0.120) 1.390 7.141 ( -5.064 0.000 -4.036) 6.476 7.199 ( 0.803 0.000 0.033) 0.803 7.285 ( 5.431 0.000 -1.088) 5.539 7.443 ( -0.268 0.000 -1.105) 1.137 7.474 ( 0.662 0.000 1.215) 1.384 7.564 ( -1.212 0.000 -1.429) 1.874 7.600 ( 1.042 0.000 0.002) 1.042 9.683 ( 0.064 0.000 0.041) 0.076 9.700 ( 0.090 0.000 0.021) 0.093 9.782 ( -0.736 0.000 0.086) 0.741 9.800 ( -0.560 0.000 0.256) 0.616 10.030 ( 1.018 0.000 0.744) 1.261 10.058 ( 0.155 0.000 0.614) 0.633 10.066 ( -0.246 0.000 1.100) 1.128 10.093 ( 0.344 0.000 0.240) 0.419 10.520 ( 0.343 0.000 0.776) 0.849 10.543 ( 0.220 0.000 0.139) 0.260 10.608 ( -0.376 0.000 1.377) 1.427 10.616 ( -0.128 0.000 1.406) 1.412 12.562 ( 7.790 0.000 0.066) 7.790 12.614 ( 2.633 0.000 2.357) 3.533 12.741 ( 1.925 0.000 6.213) 6.504 12.774 ( 1.464 0.000 4.745) 4.966 12.926 ( -7.263 0.000 -0.802) 7.307 13.154 ( -3.624 0.000 10.433) 11.044 13.250 ( -3.289 0.000 -13.381) 13.779 13.597 ( -7.628 0.000 -8.409) 11.353 14.143 ( -2.487 0.000 3.874) 4.603 14.189 ( 0.038 0.000 2.904) 2.904 14.250 ( -2.392 0.000 -1.359) 2.751 14.278 ( 0.391 0.000 -0.342) 0.519 14.308 ( 3.402 0.000 1.785) 3.842 14.358 ( 1.237 0.000 -1.222) 1.739 14.423 ( 0.772 0.000 3.949) 4.024 14.459 ( -1.378 0.000 -2.250) 2.638 14.538 ( -0.533 0.000 5.590) 5.616 14.731 ( -0.553 0.000 1.947) 2.024 14.964 ( 6.049 0.000 -5.643) 8.273 15.100 ( -3.192 0.000 -8.996) 9.545 ======================= Grid point 47 (24/45) ======================= q-point: (-0.50 0.00 0.29) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -7.623 0.000 17.476) 19.067 1.100 ( -14.920 0.000 13.799) 20.323 1.252 ( 4.303 0.000 9.456) 10.389 1.407 ( 8.389 0.000 15.602) 17.714 1.487 ( -0.817 0.000 7.645) 7.688 1.643 ( -2.000 0.000 5.454) 5.809 1.647 ( 3.706 0.000 10.542) 11.174 1.788 ( 0.773 0.000 -0.890) 1.179 1.801 ( 0.008 0.000 1.725) 1.725 1.898 ( -2.260 0.000 1.982) 3.006 1.992 ( -1.972 0.000 3.444) 3.969 2.027 ( -11.259 0.000 4.671) 12.190 2.057 ( -5.199 0.000 -2.241) 5.661 2.151 ( -0.163 0.000 1.506) 1.515 2.218 ( 6.488 0.000 1.296) 6.616 2.221 ( 1.719 0.000 -0.746) 1.874 2.292 ( -2.772 0.000 6.417) 6.990 2.340 ( 0.046 0.000 -3.960) 3.960 2.341 ( -3.323 0.000 2.665) 4.260 2.462 ( 5.491 0.000 -2.756) 6.143 2.495 ( 5.806 0.000 1.049) 5.899 2.511 ( -3.191 0.000 -3.097) 4.446 2.527 ( 3.156 0.000 0.390) 3.180 2.589 ( -7.280 0.000 6.964) 10.074 2.592 ( -5.135 0.000 1.597) 5.378 2.679 ( 0.936 0.000 -2.327) 2.508 2.692 ( -1.370 0.000 6.890) 7.025 2.774 ( 1.826 0.000 6.182) 6.446 2.786 ( 1.406 0.000 1.170) 1.829 2.847 ( -4.549 0.000 -9.262) 10.319 2.856 ( 0.369 0.000 0.611) 0.714 2.968 ( 0.305 0.000 1.970) 1.993 2.995 ( 5.222 0.000 4.622) 6.974 3.037 ( -1.842 0.000 1.340) 2.278 3.058 ( -0.076 0.000 -4.565) 4.566 3.084 ( 0.515 0.000 -4.449) 4.479 3.123 ( -1.816 0.000 -2.385) 2.998 3.147 ( 4.056 0.000 -0.370) 4.073 3.257 ( -1.698 0.000 -11.524) 11.648 3.327 ( 5.895 0.000 -5.571) 8.111 3.335 ( -0.633 0.000 1.488) 1.617 3.358 ( -0.222 0.000 -6.673) 6.677 3.389 ( -0.311 0.000 -1.557) 1.588 3.416 ( -2.350 0.000 -0.687) 2.448 3.470 ( -1.614 0.000 -1.741) 2.374 3.521 ( 3.032 0.000 1.636) 3.445 3.554 ( -5.663 0.000 -2.352) 6.132 3.588 ( 3.618 0.000 -0.362) 3.636 3.627 ( 1.920 0.000 -4.038) 4.471 3.722 ( -3.762 0.000 2.793) 4.686 3.743 ( 4.729 0.000 2.588) 5.390 3.757 ( 1.425 0.000 2.120) 2.554 3.798 ( -0.084 0.000 -0.700) 0.705 3.886 ( 1.932 0.000 0.096) 1.934 3.895 ( 1.961 0.000 -4.229) 4.662 3.920 ( -2.885 0.000 4.118) 5.028 3.932 ( 2.213 0.000 0.862) 2.375 4.022 ( 1.141 0.000 1.854) 2.177 4.060 ( 0.798 0.000 -5.376) 5.435 4.092 ( -0.629 0.000 -3.066) 3.130 4.148 ( -6.179 0.000 8.201) 10.268 4.171 ( 3.223 0.000 -4.707) 5.705 4.174 ( -0.888 0.000 4.455) 4.543 4.190 ( -0.637 0.000 -2.668) 2.743 4.318 ( -7.740 0.000 6.466) 10.085 4.368 ( 1.395 0.000 0.717) 1.569 4.420 ( -6.459 0.000 5.659) 8.587 4.448 ( -0.919 0.000 -0.831) 1.239 4.483 ( 1.437 0.000 0.603) 1.558 4.500 ( 2.795 0.000 4.828) 5.579 4.522 ( -0.966 0.000 -6.844) 6.912 4.582 ( -1.306 0.000 -2.118) 2.488 4.595 ( -1.562 0.000 5.514) 5.731 4.599 ( -1.691 0.000 2.150) 2.736 4.664 ( 4.747 0.000 -1.702) 5.043 4.673 ( 2.797 0.000 -0.535) 2.848 4.746 ( -1.841 0.000 -2.154) 2.834 4.768 ( -0.847 0.000 3.405) 3.509 4.849 ( 2.777 0.000 5.122) 5.826 4.933 ( 2.325 0.000 5.200) 5.696 4.986 ( -1.924 0.000 -2.883) 3.466 5.003 ( 3.236 0.000 3.633) 4.865 5.015 ( -1.797 0.000 2.793) 3.321 5.035 ( -3.456 0.000 1.013) 3.601 5.111 ( -2.089 0.000 2.016) 2.903 5.169 ( 3.890 0.000 -0.677) 3.949 5.177 ( 1.112 0.000 1.146) 1.597 5.281 ( -1.786 0.000 -1.897) 2.606 5.349 ( 3.477 0.000 1.408) 3.751 5.385 ( -4.340 0.000 0.387) 4.357 5.388 ( 1.257 0.000 -5.826) 5.960 5.409 ( -3.141 0.000 1.517) 3.488 5.412 ( 4.686 0.000 -9.732) 10.802 5.486 ( 3.230 0.000 -2.067) 3.835 5.523 ( 2.872 0.000 -1.461) 3.222 5.553 ( -2.327 0.000 4.964) 5.482 5.608 ( -5.223 0.000 3.171) 6.111 5.633 ( 4.499 0.000 -4.288) 6.215 5.668 ( 0.277 0.000 1.103) 1.137 5.734 ( -3.034 0.000 -0.959) 3.182 5.762 ( 3.944 0.000 0.368) 3.961 5.770 ( -3.075 0.000 1.011) 3.237 5.848 ( -2.180 0.000 0.492) 2.234 5.890 ( -1.667 0.000 2.254) 2.804 5.935 ( 1.959 0.000 -3.225) 3.773 5.959 ( 1.206 0.000 -1.692) 2.078 5.985 ( -0.710 0.000 -3.521) 3.591 6.035 ( -0.865 0.000 3.831) 3.927 6.061 ( 1.570 0.000 3.247) 3.607 6.116 ( -3.753 0.000 0.655) 3.810 6.205 ( 2.725 0.000 -1.473) 3.098 6.208 ( -0.870 0.000 -0.515) 1.011 6.271 ( -1.441 0.000 1.652) 2.192 6.283 ( -0.415 0.000 -5.348) 5.364 6.352 ( -1.059 0.000 -5.858) 5.953 6.416 ( -1.441 0.000 -1.975) 2.445 6.417 ( 3.358 0.000 -2.527) 4.203 6.466 ( 1.747 0.000 -5.543) 5.812 6.553 ( -0.612 0.000 -5.079) 5.115 6.598 ( -1.729 0.000 -4.018) 4.374 6.639 ( 1.408 0.000 -2.496) 2.866 6.696 ( 2.403 0.000 -4.730) 5.306 6.784 ( 2.286 0.000 0.878) 2.449 6.848 ( -0.517 0.000 2.720) 2.769 6.925 ( 0.202 0.000 0.545) 0.581 6.972 ( 0.408 0.000 0.266) 0.487 7.078 ( -0.662 0.000 -1.492) 1.632 7.081 ( -0.138 0.000 -1.551) 1.558 7.108 ( 1.232 0.000 -2.439) 2.732 7.144 ( -0.726 0.000 0.276) 0.777 7.203 ( -0.563 0.000 0.977) 1.127 7.378 ( 3.910 0.000 1.028) 4.043 7.458 ( -1.605 0.000 -1.219) 2.016 7.466 ( 3.342 0.000 -1.366) 3.611 7.579 ( 2.280 0.000 0.021) 2.281 7.599 ( -0.979 0.000 -1.968) 2.198 9.691 ( 0.683 0.000 -0.056) 0.685 9.700 ( -0.082 0.000 -0.084) 0.117 9.779 ( 0.446 0.000 0.269) 0.521 9.785 ( -0.909 0.000 0.281) 0.952 10.035 ( -0.840 0.000 1.103) 1.386 10.055 ( -0.556 0.000 0.596) 0.815 10.063 ( -0.304 0.000 0.915) 0.965 10.097 ( -0.077 0.000 0.336) 0.345 10.527 ( 0.021 0.000 0.755) 0.755 10.550 ( 0.278 0.000 0.319) 0.423 10.604 ( -0.366 0.000 1.441) 1.486 10.615 ( -0.453 0.000 1.245) 1.325 12.703 ( 4.893 0.000 6.399) 8.055 12.737 ( 3.372 0.000 1.449) 3.670 12.744 ( -3.441 0.000 -1.913) 3.937 12.849 ( 2.478 0.000 6.749) 7.190 12.872 ( 8.280 0.000 8.448) 11.829 13.088 ( -5.127 0.000 7.250) 8.879 13.101 ( -6.267 0.000 -11.773) 13.337 13.428 ( -6.430 0.000 -10.400) 12.227 14.108 ( -2.418 0.000 3.288) 4.081 14.190 ( -1.444 0.000 2.514) 2.900 14.218 ( 0.650 0.000 -0.403) 0.765 14.286 ( -3.541 0.000 2.002) 4.067 14.292 ( 0.526 0.000 0.342) 0.627 14.404 ( -0.915 0.000 0.854) 1.252 14.430 ( -0.907 0.000 2.647) 2.798 14.438 ( 2.851 0.000 -2.509) 3.798 14.556 ( -0.086 0.000 6.792) 6.793 14.725 ( -0.506 0.000 1.349) 1.441 14.999 ( -4.168 0.000 -7.660) 8.721 15.069 ( 6.370 0.000 -7.162) 9.585 ======================= Grid point 48 (25/45) ======================= q-point: (-0.25 0.00 0.29) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -8.220 0.000 21.103) 22.647 1.024 ( -2.516 0.000 25.580) 25.704 1.292 ( -0.013 0.000 7.718) 7.718 1.542 ( 1.580 0.000 5.955) 6.161 1.638 ( 11.950 0.000 6.126) 13.429 1.645 ( 0.632 0.000 6.857) 6.886 1.738 ( -1.966 0.000 15.072) 15.200 1.800 ( 0.829 0.000 2.116) 2.273 1.840 ( -1.365 0.000 14.984) 15.046 1.852 ( -0.518 0.000 8.218) 8.235 1.891 ( 2.937 0.000 0.866) 3.062 1.931 ( -5.167 0.000 -2.905) 5.927 1.993 ( -1.350 0.000 3.122) 3.401 2.100 ( -12.356 0.000 8.320) 14.896 2.174 ( -4.605 0.000 0.036) 4.605 2.227 ( -1.412 0.000 -1.157) 1.826 2.294 ( 4.271 0.000 -5.320) 6.823 2.336 ( -1.682 0.000 3.900) 4.247 2.352 ( 1.329 0.000 -1.637) 2.108 2.441 ( 0.691 0.000 -3.710) 3.774 2.473 ( -6.612 0.000 0.644) 6.643 2.523 ( 1.341 0.000 -3.628) 3.868 2.530 ( -0.643 0.000 3.758) 3.812 2.580 ( -5.102 0.000 -2.593) 5.723 2.590 ( 5.179 0.000 0.839) 5.246 2.644 ( -0.290 0.000 -0.638) 0.701 2.725 ( 2.938 0.000 -1.552) 3.323 2.802 ( -0.036 0.000 1.405) 1.405 2.819 ( 4.238 0.000 0.948) 4.343 2.849 ( 3.976 0.000 0.504) 4.008 2.857 ( 0.339 0.000 0.877) 0.940 2.920 ( -3.318 0.000 -1.575) 3.673 3.044 ( -1.489 0.000 -1.824) 2.354 3.058 ( 4.456 0.000 -0.349) 4.470 3.065 ( -0.312 0.000 -0.069) 0.320 3.087 ( -0.860 0.000 -6.614) 6.670 3.093 ( 2.530 0.000 -2.947) 3.883 3.172 ( -1.888 0.000 -10.620) 10.787 3.234 ( 3.396 0.000 0.062) 3.397 3.289 ( -0.554 0.000 -7.929) 7.949 3.348 ( 0.700 0.000 -0.180) 0.722 3.365 ( -2.217 0.000 -1.493) 2.673 3.371 ( -2.007 0.000 0.287) 2.027 3.445 ( -1.543 0.000 1.005) 1.841 3.481 ( 0.218 0.000 -2.201) 2.212 3.513 ( 6.753 0.000 3.294) 7.513 3.575 ( 0.765 0.000 2.578) 2.689 3.602 ( -0.146 0.000 -1.053) 1.063 3.639 ( 0.082 0.000 0.240) 0.254 3.702 ( 2.178 0.000 -1.596) 2.700 3.758 ( -2.283 0.000 1.634) 2.808 3.797 ( -1.738 0.000 -7.799) 7.990 3.799 ( 0.546 0.000 2.128) 2.197 3.867 ( -5.276 0.000 2.106) 5.681 3.922 ( 3.486 0.000 5.760) 6.732 3.925 ( 2.296 0.000 -0.024) 2.296 3.944 ( -0.299 0.000 -2.464) 2.482 3.994 ( -3.657 0.000 3.070) 4.775 4.009 ( 3.362 0.000 0.376) 3.383 4.080 ( -2.543 0.000 0.921) 2.704 4.147 ( -2.141 0.000 3.947) 4.490 4.195 ( 2.018 0.000 -0.683) 2.130 4.226 ( 2.718 0.000 -5.098) 5.777 4.238 ( 1.971 0.000 6.037) 6.350 4.260 ( 5.707 0.000 2.140) 6.095 4.309 ( -5.487 0.000 5.344) 7.659 4.396 ( 0.592 0.000 1.588) 1.695 4.405 ( -4.052 0.000 -1.984) 4.512 4.502 ( 0.138 0.000 0.340) 0.367 4.511 ( -0.932 0.000 1.482) 1.750 4.517 ( 2.497 0.000 -1.344) 2.835 4.550 ( -2.892 0.000 6.814) 7.403 4.578 ( -1.809 0.000 1.859) 2.594 4.595 ( 1.327 0.000 -1.298) 1.856 4.683 ( -3.057 0.000 -0.861) 3.176 4.698 ( 0.244 0.000 -0.766) 0.804 4.754 ( 0.474 0.000 -0.495) 0.685 4.819 ( 5.838 0.000 -0.097) 5.838 4.858 ( -3.447 0.000 1.963) 3.966 4.921 ( -4.069 0.000 0.708) 4.130 4.966 ( 1.258 0.000 -1.868) 2.252 4.987 ( 2.377 0.000 1.921) 3.057 5.024 ( -0.705 0.000 1.643) 1.788 5.039 ( 0.793 0.000 2.417) 2.543 5.099 ( -0.422 0.000 2.140) 2.181 5.213 ( 0.625 0.000 3.752) 3.804 5.216 ( 0.761 0.000 0.232) 0.796 5.286 ( -1.551 0.000 0.353) 1.590 5.295 ( -1.254 0.000 -0.401) 1.317 5.319 ( -3.505 0.000 -2.601) 4.365 5.389 ( -2.775 0.000 -1.343) 3.083 5.415 ( 2.971 0.000 -3.410) 4.523 5.441 ( -4.210 0.000 -0.118) 4.212 5.491 ( -3.707 0.000 4.869) 6.120 5.502 ( 5.836 0.000 -4.330) 7.266 5.539 ( -6.689 0.000 0.436) 6.704 5.607 ( 5.282 0.000 -1.576) 5.512 5.628 ( 3.845 0.000 -1.858) 4.270 5.712 ( -1.710 0.000 -0.554) 1.798 5.727 ( -2.781 0.000 1.529) 3.174 5.732 ( 3.886 0.000 3.591) 5.291 5.788 ( 1.369 0.000 -0.995) 1.692 5.833 ( 0.173 0.000 0.922) 0.938 5.903 ( -2.567 0.000 -1.162) 2.818 5.936 ( 4.788 0.000 1.220) 4.941 5.959 ( -0.084 0.000 -1.196) 1.199 6.019 ( -0.417 0.000 -3.490) 3.515 6.023 ( -1.609 0.000 3.016) 3.419 6.057 ( 0.675 0.000 -4.481) 4.532 6.137 ( 2.032 0.000 2.029) 2.872 6.181 ( 1.277 0.000 0.042) 1.278 6.213 ( -2.019 0.000 2.109) 2.920 6.236 ( -1.253 0.000 1.275) 1.788 6.253 ( -1.100 0.000 -4.946) 5.067 6.325 ( 0.303 0.000 -7.462) 7.468 6.357 ( -3.140 0.000 0.829) 3.248 6.454 ( -1.452 0.000 -2.044) 2.508 6.459 ( 1.829 0.000 -2.627) 3.201 6.516 ( -0.662 0.000 -9.177) 9.201 6.569 ( 0.258 0.000 -4.902) 4.909 6.662 ( 1.280 0.000 -1.187) 1.746 6.707 ( -0.029 0.000 -2.412) 2.412 6.812 ( -0.289 0.000 1.715) 1.739 6.887 ( 3.152 0.000 -2.185) 3.835 6.968 ( 3.488 0.000 0.150) 3.491 7.001 ( 2.256 0.000 0.166) 2.262 7.084 ( 2.021 0.000 -0.095) 2.024 7.084 ( 0.902 0.000 -0.710) 1.148 7.116 ( -2.100 0.000 0.765) 2.235 7.117 ( 0.270 0.000 -3.559) 3.569 7.188 ( -0.870 0.000 -0.505) 1.006 7.437 ( 2.038 0.000 1.826) 2.736 7.438 ( 0.091 0.000 -1.709) 1.711 7.506 ( -1.224 0.000 -5.396) 5.533 7.564 ( -0.748 0.000 -1.629) 1.793 7.612 ( 0.863 0.000 -0.296) 0.913 9.698 ( -0.018 0.000 -0.314) 0.315 9.698 ( -0.159 0.000 0.125) 0.203 9.780 ( 0.545 0.000 0.143) 0.563 9.795 ( 0.910 0.000 0.302) 0.958 10.010 ( -1.850 0.000 1.646) 2.476 10.047 ( -0.434 0.000 0.699) 0.823 10.062 ( -0.068 0.000 0.881) 0.884 10.093 ( -0.435 0.000 0.668) 0.797 10.523 ( -0.602 0.000 0.725) 0.942 10.551 ( -0.252 0.000 0.123) 0.281 10.605 ( -0.072 0.000 1.491) 1.493 10.610 ( -0.313 0.000 1.305) 1.342 12.564 ( -7.806 0.000 -0.057) 7.807 12.758 ( -4.006 0.000 -2.769) 4.870 12.814 ( -7.192 0.000 0.770) 7.233 12.825 ( -2.881 0.000 3.209) 4.313 12.936 ( 6.148 0.000 0.724) 6.190 13.079 ( 1.653 0.000 9.624) 9.765 13.263 ( 11.904 0.000 -5.799) 13.241 13.375 ( 11.948 0.000 0.527) 11.960 14.078 ( -1.551 0.000 3.982) 4.273 14.176 ( -0.602 0.000 2.332) 2.409 14.230 ( -3.182 0.000 3.327) 4.604 14.242 ( 1.051 0.000 1.203) 1.598 14.302 ( 0.850 0.000 0.186) 0.870 14.353 ( -2.661 0.000 -0.223) 2.670 14.411 ( -1.821 0.000 1.703) 2.493 14.504 ( 2.880 0.000 -2.027) 3.522 14.562 ( -1.556 0.000 6.847) 7.022 14.725 ( 0.058 0.000 1.295) 1.296 14.910 ( -2.460 0.000 -6.215) 6.684 15.147 ( 4.172 0.000 -8.787) 9.727 ======================= Grid point 49 (26/45) ======================= q-point: ( 0.00 0.25 0.29) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -1.603 10.082 21.842) 24.110 1.127 ( -1.652 10.334 20.630) 23.133 1.314 ( -0.507 1.174 7.240) 7.352 1.514 ( -4.218 -8.947 0.706) 9.916 1.547 ( 0.770 1.444 7.313) 7.493 1.670 ( -1.894 -10.573 7.657) 13.191 1.718 ( -5.369 -4.686 4.748) 8.563 1.735 ( 1.650 -7.314 5.423) 9.253 1.813 ( -5.325 0.129 2.679) 5.963 1.882 ( -0.422 1.503 6.756) 6.934 1.920 ( -4.688 -0.630 3.496) 5.882 1.947 ( 0.230 2.801 4.108) 4.977 2.059 ( 3.501 1.813 6.174) 7.326 2.122 ( 1.396 2.552 6.865) 7.456 2.179 ( 1.356 6.640 7.099) 9.814 2.245 ( -2.088 0.891 -1.609) 2.782 2.291 ( 3.797 1.873 -0.172) 4.238 2.300 ( 5.852 1.122 -3.448) 6.885 2.355 ( 0.977 0.118 -0.152) 0.996 2.388 ( 0.113 -0.200 -0.774) 0.807 2.454 ( -3.646 2.948 0.259) 4.696 2.475 ( 1.728 0.419 -5.940) 6.200 2.549 ( 0.225 -1.151 -0.187) 1.188 2.621 ( 2.317 -4.378 2.709) 5.646 2.649 ( 1.841 4.120 3.131) 5.492 2.667 ( -0.040 0.508 1.729) 1.803 2.699 ( 0.059 -3.462 0.630) 3.520 2.766 ( 2.438 -3.440 -1.544) 4.490 2.829 ( -3.135 -0.581 4.587) 5.587 2.842 ( -3.936 0.379 0.182) 3.959 2.895 ( -0.177 2.453 -4.270) 4.928 2.920 ( -3.164 -0.351 -3.687) 4.871 2.965 ( 4.724 -4.102 -2.903) 6.897 3.030 ( -1.043 -0.365 -4.995) 5.115 3.062 ( -1.772 -1.267 -7.003) 7.334 3.121 ( -0.717 1.520 -1.872) 2.516 3.170 ( -0.075 1.137 -0.639) 1.306 3.239 ( -2.893 1.657 -2.888) 4.411 3.243 ( 3.070 0.367 -6.737) 7.413 3.273 ( -1.040 -2.001 -2.973) 3.731 3.321 ( 0.858 1.553 -0.487) 1.839 3.357 ( 3.352 -0.734 -0.482) 3.465 3.387 ( 3.999 2.448 -0.474) 4.713 3.420 ( 1.740 -0.356 0.994) 2.035 3.497 ( 2.519 -2.117 0.069) 3.291 3.525 ( 1.419 0.342 -0.719) 1.627 3.586 ( -0.160 0.980 -1.354) 1.679 3.630 ( -1.026 -3.965 -0.433) 4.118 3.651 ( 0.514 0.282 -0.233) 0.631 3.671 ( 1.540 2.057 -1.315) 2.887 3.718 ( -3.948 1.909 2.512) 5.053 3.772 ( 0.190 -1.791 -1.659) 2.449 3.773 ( 1.479 1.531 -0.122) 2.132 3.815 ( -6.849 -1.541 -3.505) 7.847 3.879 ( 0.376 0.714 2.189) 2.333 3.953 ( -1.629 2.950 0.215) 3.376 4.004 ( -1.277 2.065 -1.258) 2.734 4.010 ( -2.222 -2.745 1.955) 4.037 4.053 ( 3.023 0.097 2.746) 4.085 4.108 ( 3.726 2.398 0.481) 4.457 4.132 ( -2.725 -0.249 1.187) 2.982 4.160 ( 3.597 -2.050 8.504) 9.458 4.238 ( -0.675 -2.060 3.491) 4.110 4.273 ( 2.485 -3.204 5.040) 6.468 4.309 ( -3.681 -0.821 -1.601) 4.097 4.363 ( 3.334 2.739 1.983) 4.749 4.381 ( 0.265 -0.000 0.601) 0.656 4.420 ( -0.055 0.266 2.613) 2.627 4.457 ( -5.184 1.324 -0.795) 5.409 4.458 ( -3.194 -3.437 5.318) 7.092 4.513 ( -0.184 -1.559 -0.100) 1.573 4.572 ( 0.242 3.400 2.000) 3.952 4.585 ( 0.533 0.430 0.855) 1.096 4.654 ( -2.982 -2.695 0.127) 4.021 4.672 ( -0.511 1.364 -0.835) 1.679 4.691 ( -0.020 3.144 1.751) 3.598 4.744 ( -2.774 0.252 0.794) 2.897 4.756 ( 2.130 -0.860 0.569) 2.366 4.878 ( 2.092 -2.452 0.723) 3.303 4.916 ( 2.821 3.903 -1.466) 5.034 4.952 ( -4.376 -5.488 -4.156) 8.158 5.011 ( -2.768 3.579 1.631) 4.809 5.014 ( 1.908 -0.047 -1.764) 2.599 5.061 ( 0.764 1.196 2.156) 2.581 5.138 ( 2.987 1.774 3.054) 4.625 5.173 ( -1.668 0.584 -0.110) 1.771 5.227 ( -2.038 1.745 0.113) 2.685 5.266 ( -2.758 1.639 1.533) 3.556 5.276 ( 2.762 -1.392 2.425) 3.931 5.304 ( 0.437 1.123 -3.465) 3.669 5.381 ( -1.166 0.192 -1.843) 2.189 5.391 ( 1.369 0.149 -0.636) 1.517 5.427 ( -1.037 -1.098 -1.469) 2.107 5.454 ( 2.037 -1.446 -4.078) 4.782 5.490 ( 2.708 -0.628 0.219) 2.788 5.574 ( 1.228 -3.111 -2.562) 4.213 5.595 ( -0.126 -2.033 1.124) 2.326 5.630 ( -1.864 -2.155 1.363) 3.158 5.668 ( -3.678 0.278 1.063) 3.839 5.685 ( 2.027 0.601 1.503) 2.594 5.802 ( 2.392 -1.159 1.740) 3.177 5.819 ( -1.069 -2.024 1.043) 2.515 5.821 ( 3.122 -1.740 -4.858) 6.031 5.891 ( 2.504 -1.006 0.478) 2.741 5.929 ( -1.112 0.056 -1.310) 1.719 5.951 ( -0.269 0.172 0.156) 0.355 6.014 ( -1.424 2.543 -1.999) 3.534 6.027 ( -0.725 0.094 1.314) 1.504 6.099 ( 1.396 2.462 -3.114) 4.208 6.133 ( -1.317 1.063 -1.730) 2.420 6.190 ( -1.712 -0.733 -0.319) 1.889 6.215 ( 2.723 2.547 -0.031) 3.728 6.269 ( 4.141 -0.115 0.620) 4.189 6.294 ( 1.725 2.420 -5.499) 6.251 6.316 ( 1.027 0.761 -2.884) 3.154 6.382 ( -2.552 -1.375 -0.941) 3.048 6.414 ( -0.663 0.130 0.596) 0.900 6.447 ( 0.507 -0.083 -7.214) 7.233 6.513 ( 1.165 3.157 -6.157) 7.017 6.603 ( 2.798 1.493 -7.789) 8.410 6.680 ( -0.868 -0.073 -1.785) 1.986 6.693 ( -0.087 0.784 -0.184) 0.810 6.822 ( -2.285 2.795 1.899) 4.079 6.938 ( 0.072 1.154 -0.958) 1.501 7.001 ( -1.501 -1.616 0.564) 2.277 7.007 ( 1.626 -1.382 -0.483) 2.188 7.074 ( -0.391 -0.026 1.454) 1.506 7.099 ( 0.419 0.085 -0.011) 0.428 7.115 ( 0.709 0.160 0.483) 0.873 7.152 ( 3.747 -0.210 -1.781) 4.154 7.181 ( 1.226 -0.171 0.409) 1.303 7.285 ( -6.061 -4.690 -1.265) 7.768 7.447 ( 0.463 -0.101 -0.572) 0.743 7.458 ( -0.993 -0.348 0.081) 1.055 7.574 ( -0.157 0.544 -0.500) 0.755 7.614 ( -1.599 0.059 -1.565) 2.238 9.690 ( -0.501 0.107 0.161) 0.536 9.696 ( 0.034 -0.127 -0.127) 0.182 9.798 ( 0.596 0.008 0.160) 0.617 9.798 ( -0.448 -0.021 0.116) 0.463 10.011 ( 0.843 0.693 1.254) 1.662 10.043 ( 0.398 -0.501 0.756) 0.991 10.069 ( 0.151 0.362 1.073) 1.142 10.086 ( -0.046 -0.289 0.763) 0.817 10.520 ( -0.294 0.358 0.548) 0.717 10.540 ( -0.350 -0.393 -0.012) 0.526 10.608 ( -0.073 0.010 1.401) 1.403 10.611 ( 0.010 -0.103 1.418) 1.422 12.507 ( -0.199 1.825 -0.390) 1.876 12.596 ( -2.877 -1.855 -2.403) 4.182 12.746 ( -3.226 -0.285 4.306) 5.388 12.772 ( -3.152 -0.652 3.241) 4.568 13.034 ( 0.448 3.642 -1.494) 3.962 13.131 ( 0.989 -0.714 11.970) 12.032 13.261 ( 1.241 -3.629 -10.786) 11.448 13.370 ( 6.955 -16.418 9.110) 20.023 14.088 ( -0.459 -0.519 3.806) 3.868 14.134 ( -0.674 -1.326 5.821) 6.008 14.166 ( 0.594 -2.615 2.745) 3.838 14.242 ( -1.438 -3.552 0.727) 3.900 14.324 ( 0.283 1.601 1.494) 2.208 14.393 ( -1.393 1.075 0.113) 1.763 14.515 ( 0.886 2.092 -0.137) 2.276 14.558 ( 2.435 4.435 -2.095) 5.476 14.671 ( -1.320 7.558 -3.079) 8.268 14.825 ( 0.950 8.463 -4.874) 9.813 14.880 ( 1.997 0.564 -5.218) 5.615 15.137 ( -0.025 -2.341 -10.324) 10.586 ======================= Grid point 50 (27/45) ======================= q-point: ( 0.25 0.25 0.29) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 0.740 8.094 17.667) 19.447 1.231 ( -2.223 0.462 12.991) 13.187 1.294 ( 2.942 10.043 14.606) 17.968 1.474 ( -8.283 2.785 8.096) 11.912 1.496 ( -1.327 0.989 5.227) 5.483 1.623 ( -4.870 -4.910 3.336) 7.679 1.673 ( -3.339 -3.102 3.943) 6.027 1.717 ( 5.017 -9.117 5.551) 11.794 1.755 ( -4.982 -1.159 0.999) 5.212 1.877 ( -3.353 -2.882 0.869) 4.506 1.899 ( -2.514 2.788 6.813) 7.779 1.975 ( 3.953 -4.781 5.712) 8.433 2.085 ( 0.191 -0.846 4.534) 4.616 2.128 ( -1.908 -5.935 -2.549) 6.735 2.193 ( 2.691 2.871 2.101) 4.461 2.266 ( -4.190 0.620 -2.463) 4.900 2.335 ( -1.144 2.992 0.900) 3.327 2.365 ( -0.484 0.203 0.519) 0.739 2.404 ( 4.004 4.227 -1.243) 5.953 2.412 ( 3.677 5.749 5.126) 8.535 2.432 ( -1.486 -1.276 -4.972) 5.344 2.466 ( 2.891 0.590 0.753) 3.045 2.548 ( -1.440 -0.277 -2.700) 3.072 2.620 ( 0.032 -0.886 3.183) 3.304 2.646 ( 0.449 -2.346 0.810) 2.522 2.686 ( -2.391 1.689 1.927) 3.505 2.696 ( -1.921 -1.304 3.309) 4.042 2.733 ( -0.507 -0.784 1.985) 2.193 2.795 ( -2.096 -1.346 -0.184) 2.498 2.823 ( -1.967 3.001 6.309) 7.257 2.895 ( 3.602 -1.401 -1.940) 4.325 2.953 ( 4.261 -1.440 -3.506) 5.703 2.973 ( 1.411 -4.118 -7.827) 8.956 3.009 ( -2.155 -1.558 -0.418) 2.692 3.061 ( 1.633 -1.064 -3.956) 4.410 3.109 ( -0.190 3.114 -0.007) 3.120 3.162 ( 0.677 2.768 1.409) 3.179 3.175 ( -1.170 3.824 1.673) 4.335 3.252 ( -0.257 -2.965 -3.303) 4.446 3.303 ( 3.506 0.655 -7.568) 8.367 3.338 ( 2.198 2.806 -0.681) 3.629 3.366 ( -1.440 1.782 -1.474) 2.724 3.455 ( -1.814 0.470 -2.976) 3.517 3.477 ( 2.945 -0.542 -2.709) 4.039 3.507 ( -2.365 -0.836 -0.800) 2.633 3.546 ( -4.542 0.330 -4.781) 6.602 3.576 ( 2.879 4.286 1.164) 5.293 3.596 ( 5.286 1.196 1.127) 5.536 3.660 ( 0.084 2.093 -1.142) 2.385 3.695 ( -2.813 -3.048 0.238) 4.154 3.711 ( -0.922 0.218 0.327) 1.002 3.730 ( 2.098 1.854 -1.915) 3.392 3.767 ( 1.941 -2.364 2.496) 3.948 3.808 ( 1.541 -0.177 0.458) 1.617 3.871 ( -0.441 -0.537 2.392) 2.491 3.896 ( -3.179 -1.093 -1.967) 3.895 3.956 ( 0.589 -1.342 -1.200) 1.894 3.962 ( -3.418 0.270 -0.911) 3.547 4.087 ( -3.135 -0.406 -3.050) 4.393 4.127 ( 0.366 -0.782 -3.145) 3.261 4.144 ( 0.666 -0.043 4.137) 4.191 4.184 ( -3.353 0.457 7.905) 8.599 4.212 ( -0.079 -1.887 4.368) 4.759 4.245 ( -4.501 -2.905 2.235) 5.805 4.313 ( 0.840 2.155 -0.198) 2.322 4.355 ( -2.908 -4.792 -0.770) 5.658 4.383 ( 0.569 -3.834 -0.132) 3.878 4.432 ( 2.730 0.357 2.690) 3.850 4.451 ( 1.105 1.092 2.015) 2.544 4.474 ( 2.046 0.464 5.327) 5.725 4.521 ( 0.265 -2.841 2.333) 3.685 4.568 ( -0.292 0.723 -1.713) 1.883 4.592 ( -1.663 -2.677 3.465) 4.684 4.648 ( 2.703 2.476 5.163) 6.332 4.671 ( 0.109 1.909 -1.425) 2.384 4.689 ( -1.349 0.632 1.767) 2.311 4.723 ( 1.440 0.596 0.776) 1.740 4.798 ( -1.427 -0.876 -0.049) 1.676 4.856 ( -0.288 1.292 -2.238) 2.601 4.896 ( -1.233 -3.012 0.060) 3.255 4.929 ( -0.546 1.820 7.455) 7.694 5.022 ( 2.237 3.402 -0.248) 4.079 5.030 ( -0.365 0.353 -0.020) 0.508 5.077 ( -0.547 1.502 1.272) 2.043 5.132 ( -2.125 1.455 0.884) 2.723 5.164 ( -1.165 0.701 0.677) 1.519 5.211 ( 2.899 2.942 -0.518) 4.163 5.249 ( -1.079 0.337 -2.043) 2.335 5.318 ( 4.190 -0.630 -6.425) 7.697 5.343 ( 2.482 0.355 -1.844) 3.113 5.357 ( -1.546 -2.078 3.779) 4.581 5.399 ( 1.805 0.501 -4.622) 4.987 5.460 ( 1.277 -4.100 1.129) 4.441 5.484 ( 1.873 -0.894 -1.714) 2.692 5.522 ( -2.257 -0.568 -4.533) 5.095 5.541 ( -1.920 4.036 -3.678) 5.788 5.565 ( -0.918 -0.186 0.708) 1.174 5.614 ( 1.066 -3.489 0.462) 3.677 5.642 ( -0.182 -3.822 4.226) 5.701 5.697 ( 0.191 1.301 3.478) 3.718 5.772 ( -2.755 -3.184 -6.554) 7.791 5.803 ( -1.469 -1.941 1.048) 2.650 5.883 ( -1.764 -0.848 0.192) 1.966 5.908 ( 3.610 -0.048 -2.659) 4.484 5.923 ( 0.292 -0.678 -2.165) 2.287 5.953 ( 1.791 4.492 1.605) 5.095 6.017 ( 0.008 -0.551 -0.887) 1.044 6.026 ( -0.422 0.245 5.034) 5.057 6.086 ( -3.607 2.344 -0.973) 4.410 6.154 ( 4.851 2.159 -2.844) 6.023 6.203 ( 0.778 0.385 -2.025) 2.204 6.230 ( 1.134 0.667 -0.075) 1.318 6.274 ( -0.523 2.563 -3.264) 4.183 6.292 ( -0.976 -0.287 -1.699) 1.980 6.347 ( 1.141 0.180 -0.531) 1.271 6.377 ( 0.894 -2.644 -2.567) 3.792 6.423 ( 2.271 0.313 -2.047) 3.073 6.444 ( 2.620 -0.425 -7.860) 8.296 6.557 ( 4.898 3.931 -5.534) 8.371 6.628 ( 1.030 1.290 -6.979) 7.172 6.656 ( -0.814 -0.487 -2.061) 2.269 6.675 ( -1.189 0.172 -1.569) 1.976 6.780 ( -1.853 2.366 1.364) 3.300 6.918 ( -2.144 -0.911 0.987) 2.530 6.967 ( -3.077 0.671 1.344) 3.425 6.982 ( -2.434 0.805 1.431) 2.936 7.071 ( 0.039 -0.511 0.324) 0.606 7.104 ( -0.110 -0.668 -0.588) 0.897 7.118 ( -1.054 1.450 0.235) 1.808 7.185 ( -2.182 1.030 -0.360) 2.439 7.193 ( 0.402 -0.162 -0.293) 0.523 7.243 ( 4.587 -3.679 -1.003) 5.965 7.435 ( -0.315 -0.339 -0.680) 0.823 7.464 ( 0.497 -1.091 0.986) 1.552 7.560 ( -0.467 0.125 -0.077) 0.489 7.595 ( -0.214 -0.546 -1.016) 1.173 9.686 ( 0.094 0.268 0.072) 0.293 9.698 ( 0.137 -0.163 0.064) 0.223 9.784 ( -0.774 0.237 0.055) 0.811 9.797 ( -0.622 -0.261 0.195) 0.702 10.034 ( 0.763 0.352 0.748) 1.125 10.051 ( -0.063 -0.413 0.888) 0.982 10.075 ( 0.119 0.606 0.743) 0.966 10.092 ( 0.389 -0.119 0.314) 0.514 10.523 ( 0.323 0.246 0.633) 0.752 10.539 ( 0.233 -0.373 0.189) 0.479 10.609 ( -0.313 0.095 1.322) 1.361 10.615 ( -0.136 -0.135 1.349) 1.363 12.580 ( 7.244 1.495 0.064) 7.397 12.616 ( 4.406 0.177 1.567) 4.680 12.738 ( 1.968 -0.205 5.358) 5.712 12.763 ( 0.975 -1.284 4.683) 4.953 12.963 ( -7.156 3.836 -1.700) 8.295 13.143 ( -3.462 -0.541 8.113) 8.837 13.201 ( -4.938 -4.111 -8.270) 10.472 13.419 ( -2.360 -12.813 0.159) 13.029 14.089 ( -0.661 -1.782 3.893) 4.332 14.133 ( -1.137 -0.785 5.439) 5.612 14.198 ( 1.616 -3.744 2.290) 4.677 14.203 ( -2.593 -2.690 1.107) 3.897 14.351 ( 1.821 0.209 0.753) 1.982 14.378 ( -0.543 -0.090 1.865) 1.945 14.514 ( -0.480 4.354 -1.313) 4.573 14.576 ( -0.376 4.864 -4.429) 6.589 14.656 ( 0.976 9.237 -0.038) 9.289 14.795 ( -2.092 6.509 -2.285) 7.208 14.943 ( 5.933 -1.757 -5.352) 8.181 15.073 ( -3.263 -2.660 -9.258) 10.170 ======================= Grid point 51 (28/45) ======================= q-point: (-0.50 0.25 0.29) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -4.877 7.839 15.473) 18.018 1.232 ( -4.480 9.107 10.829) 14.842 1.295 ( -5.639 5.680 12.805) 15.101 1.484 ( -3.108 0.509 6.565) 7.282 1.515 ( 9.118 5.649 11.432) 15.676 1.591 ( -1.541 -2.550 8.018) 8.553 1.662 ( 1.844 -2.069 5.591) 6.240 1.729 ( 1.644 -3.629 3.061) 5.024 1.796 ( -3.735 -0.967 3.333) 5.099 1.851 ( 6.108 -6.070 4.557) 9.742 1.883 ( -2.515 -0.836 2.411) 3.583 1.997 ( -0.724 -6.465 0.138) 6.507 2.051 ( -5.063 -1.543 0.439) 5.311 2.145 ( -0.439 -5.911 3.635) 6.953 2.176 ( -1.009 0.555 -1.486) 1.880 2.217 ( 0.741 0.323 -1.895) 2.060 2.283 ( -4.405 1.419 1.764) 4.953 2.325 ( -2.061 -0.740 1.095) 2.448 2.347 ( -2.945 -1.062 0.330) 3.148 2.431 ( 0.575 -1.599 -1.079) 2.013 2.508 ( 1.254 -1.868 -3.619) 4.261 2.527 ( 1.355 0.965 1.219) 2.062 2.544 ( 0.470 1.946 -0.437) 2.049 2.611 ( -3.152 0.774 3.101) 4.490 2.618 ( -3.352 4.697 0.554) 5.797 2.645 ( 0.834 0.541 -1.774) 2.034 2.688 ( 3.494 -3.475 1.433) 5.132 2.733 ( -6.893 4.809 5.910) 10.275 2.770 ( 1.018 -0.961 -2.794) 3.126 2.821 ( 3.744 -0.130 1.686) 4.108 2.955 ( -3.617 -2.620 3.974) 5.978 2.967 ( -0.191 -0.069 -7.710) 7.713 2.995 ( 2.067 -3.956 -5.628) 7.183 3.019 ( 7.125 1.918 -1.513) 7.533 3.070 ( 1.881 1.472 -2.630) 3.553 3.124 ( -0.460 4.458 2.868) 5.321 3.157 ( 1.100 1.607 0.113) 1.950 3.225 ( 1.458 0.974 -0.364) 1.791 3.269 ( 3.374 2.220 0.899) 4.138 3.292 ( -1.576 2.309 -6.827) 7.377 3.325 ( -1.551 0.644 -0.308) 1.708 3.377 ( -2.456 3.914 -4.608) 6.526 3.417 ( 4.441 -0.410 -3.675) 5.779 3.439 ( -2.717 2.047 -1.784) 3.841 3.468 ( -1.585 -0.756 -5.854) 6.111 3.512 ( 0.182 -0.628 3.524) 3.584 3.552 ( -3.830 0.570 -0.933) 3.983 3.611 ( -4.329 0.540 -0.093) 4.364 3.669 ( -0.057 0.959 5.156) 5.245 3.697 ( 1.351 -4.073 4.354) 6.113 3.734 ( 2.432 1.993 -2.940) 4.305 3.741 ( 1.299 -1.330 -0.440) 1.910 3.819 ( 1.738 -1.968 3.718) 4.551 3.844 ( -1.310 -1.436 -0.574) 2.027 3.865 ( 3.806 -1.145 -0.067) 3.975 3.919 ( 2.446 -1.304 0.104) 2.774 3.943 ( -2.099 -1.993 -0.354) 2.916 3.965 ( 2.693 0.216 3.086) 4.101 4.010 ( -1.481 -3.188 -4.403) 5.634 4.051 ( -4.940 -4.509 -1.111) 6.780 4.141 ( -2.167 0.464 3.513) 4.153 4.182 ( -0.894 1.323 6.635) 6.824 4.197 ( -1.679 3.266 2.542) 4.467 4.226 ( 1.858 1.678 -0.482) 2.550 4.314 ( -0.663 -0.113 0.347) 0.757 4.323 ( 0.207 -1.874 2.741) 3.327 4.408 ( 1.082 -0.971 0.271) 1.479 4.455 ( 0.726 -1.435 -0.393) 1.656 4.505 ( -0.210 1.341 0.765) 1.558 4.529 ( 1.254 1.965 2.497) 3.416 4.536 ( 1.010 0.580 -0.208) 1.183 4.562 ( -1.958 -0.870 5.808) 6.190 4.576 ( 1.722 0.531 -1.434) 2.303 4.649 ( -0.042 -0.332 0.369) 0.499 4.678 ( 1.751 0.670 -0.728) 2.011 4.700 ( -0.159 5.197 -0.709) 5.248 4.738 ( -2.331 -1.730 2.061) 3.560 4.774 ( 2.264 0.860 1.636) 2.923 4.858 ( -1.519 -1.771 4.514) 5.082 4.907 ( 1.224 -1.946 1.200) 2.593 4.949 ( -0.695 -0.157 2.728) 2.820 4.996 ( -3.918 -1.167 3.634) 5.470 5.034 ( 1.131 0.515 1.892) 2.263 5.059 ( -0.292 2.939 -1.668) 3.392 5.122 ( 1.148 -0.039 -1.266) 1.709 5.177 ( 0.404 -0.433 -0.447) 0.742 5.216 ( -3.136 4.186 1.851) 5.548 5.247 ( 2.060 -0.888 -1.502) 2.700 5.326 ( 1.922 -0.147 -3.987) 4.428 5.356 ( -2.759 -1.914 -0.599) 3.411 5.389 ( 2.215 -1.768 -7.552) 8.066 5.416 ( -0.558 0.747 -5.558) 5.635 5.448 ( 3.104 2.412 2.133) 4.472 5.464 ( -1.786 -1.881 -0.344) 2.616 5.511 ( 1.752 -2.049 -0.998) 2.875 5.543 ( 3.267 -2.009 -6.050) 7.163 5.570 ( -1.683 -0.364 3.216) 3.649 5.592 ( -3.153 -1.371 1.612) 3.798 5.663 ( 1.726 0.091 0.167) 1.736 5.709 ( -1.892 -3.052 -2.693) 4.488 5.755 ( -1.174 -2.223 -1.224) 2.796 5.775 ( 1.776 -1.709 -0.780) 2.585 5.847 ( 0.120 0.889 0.272) 0.938 5.918 ( -1.592 -0.628 1.335) 2.171 5.937 ( -0.163 0.994 -4.757) 4.862 5.960 ( 0.475 0.450 -0.886) 1.101 6.002 ( -1.627 1.862 1.265) 2.778 6.048 ( 1.398 0.336 5.295) 5.487 6.052 ( 0.917 3.554 0.345) 3.686 6.150 ( -3.341 2.079 1.609) 4.251 6.208 ( -1.099 0.114 0.507) 1.216 6.234 ( 0.362 2.296 -0.068) 2.325 6.270 ( -0.847 -0.666 -4.302) 4.434 6.307 ( 1.892 1.123 -4.419) 4.937 6.363 ( -0.949 -1.204 1.480) 2.131 6.368 ( 2.207 -2.872 -5.499) 6.585 6.432 ( -0.676 2.134 -2.499) 3.355 6.484 ( 1.659 0.642 -3.465) 3.894 6.575 ( -2.351 1.630 -4.806) 5.593 6.610 ( -0.947 0.450 -4.064) 4.197 6.640 ( 3.375 0.885 -3.352) 4.838 6.689 ( 2.338 -0.025 -6.084) 6.518 6.792 ( 2.596 1.449 -0.055) 2.974 6.883 ( -0.431 1.264 1.301) 1.865 6.936 ( -0.598 1.269 1.759) 2.250 6.975 ( 0.943 0.698 0.704) 1.368 7.062 ( -0.288 -0.969 -2.195) 2.417 7.084 ( -0.293 0.297 -0.815) 0.915 7.116 ( -0.453 0.703 0.947) 1.263 7.155 ( -1.664 0.471 0.246) 1.746 7.188 ( -0.850 -1.328 0.207) 1.590 7.327 ( 4.262 -6.019 0.327) 7.382 7.436 ( 0.118 -0.840 -0.365) 0.923 7.457 ( -0.893 -0.650 0.045) 1.105 7.573 ( 0.444 0.536 -0.212) 0.728 7.603 ( 2.238 0.050 -1.033) 2.466 9.693 ( 0.508 0.175 0.020) 0.537 9.700 ( 0.005 -0.020 0.024) 0.032 9.778 ( 0.135 -0.037 0.149) 0.204 9.783 ( -0.615 -0.152 0.182) 0.659 10.036 ( -0.900 0.108 1.174) 1.483 10.046 ( -0.555 -0.455 0.991) 1.224 10.074 ( -0.433 0.662 0.414) 0.892 10.095 ( -0.197 -0.224 0.245) 0.386 10.530 ( 0.115 0.264 0.643) 0.705 10.546 ( 0.287 -0.338 0.351) 0.566 10.605 ( -0.397 0.121 1.366) 1.428 10.613 ( -0.444 -0.151 1.224) 1.311 12.699 ( 4.344 0.452 6.213) 7.595 12.771 ( 8.309 1.695 -1.345) 8.587 12.784 ( -7.235 2.831 -0.272) 7.774 12.818 ( 2.110 -1.150 6.591) 7.016 12.868 ( 8.009 -0.397 8.232) 11.492 13.011 ( -10.043 -6.194 -8.551) 14.572 13.088 ( -5.520 0.471 6.364) 8.438 13.334 ( -4.331 -8.078 -6.290) 11.116 14.088 ( -0.683 -1.242 3.472) 3.750 14.128 ( -0.949 -1.625 4.303) 4.697 14.169 ( -1.474 -1.820 2.601) 3.500 14.230 ( 1.064 -3.947 1.905) 4.510 14.346 ( -1.437 1.531 0.815) 2.252 14.419 ( 3.043 -1.148 1.645) 3.645 14.501 ( -0.803 4.952 -1.659) 5.284 14.525 ( -2.456 5.097 -2.626) 6.238 14.697 ( 2.480 10.811 -0.977) 11.135 14.761 ( -0.731 3.574 0.250) 3.656 14.978 ( -3.739 -1.851 -7.341) 8.444 15.047 ( 6.557 -2.258 -7.191) 9.990 ======================= Grid point 52 (29/45) ======================= q-point: (-0.25 0.25 0.29) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -7.310 13.318 16.926) 22.744 1.126 ( -2.687 9.782 21.540) 23.809 1.298 ( -1.040 1.710 7.161) 7.435 1.486 ( 1.187 -2.488 8.094) 8.551 1.570 ( -0.686 -6.007 3.181) 6.832 1.689 ( -1.786 -3.872 5.390) 6.873 1.704 ( -0.621 -3.434 7.745) 8.495 1.709 ( 1.272 -5.917 8.576) 10.496 1.818 ( 4.234 1.117 5.701) 7.189 1.909 ( 3.281 1.076 2.369) 4.187 1.926 ( -4.047 5.004 6.144) 8.898 1.969 ( -1.174 1.349 5.773) 6.043 2.003 ( 1.342 -0.317 -0.451) 1.451 2.088 ( -2.299 -4.181 2.521) 5.397 2.137 ( -2.566 4.115 3.782) 6.150 2.252 ( -1.042 2.418 1.996) 3.304 2.278 ( -0.725 -2.723 0.628) 2.887 2.287 ( 3.607 -1.350 -4.276) 5.755 2.314 ( -0.317 -3.156 3.858) 4.994 2.412 ( -2.234 -2.432 -2.566) 4.182 2.494 ( -1.997 -0.490 -2.212) 3.020 2.522 ( -2.134 3.218 -1.205) 4.045 2.534 ( 2.077 -2.675 -0.220) 3.394 2.585 ( 1.152 -0.380 -0.509) 1.316 2.600 ( -3.018 0.734 2.819) 4.195 2.641 ( 0.712 3.753 2.704) 4.680 2.680 ( 2.139 0.230 -2.841) 3.564 2.754 ( 0.756 -3.271 0.168) 3.361 2.817 ( 4.533 1.002 -0.962) 4.742 2.882 ( -2.027 -2.245 3.415) 4.562 2.894 ( 1.963 -1.547 -0.311) 2.519 2.938 ( -0.933 2.879 -6.492) 7.162 3.002 ( -0.373 -0.444 -8.125) 8.145 3.058 ( -2.286 2.099 -2.777) 4.165 3.092 ( 1.486 0.862 -4.489) 4.807 3.135 ( 1.432 2.416 -3.546) 4.523 3.181 ( 0.732 3.732 -1.291) 4.017 3.211 ( -1.859 0.664 -7.277) 7.540 3.255 ( 2.104 -2.914 1.490) 3.891 3.303 ( -0.813 0.250 3.293) 3.401 3.318 ( -0.675 1.937 -4.084) 4.570 3.339 ( -1.503 2.498 -2.984) 4.172 3.402 ( 0.559 -0.466 -0.619) 0.955 3.415 ( -2.996 -0.247 -0.727) 3.093 3.458 ( -0.704 -0.620 -1.110) 1.454 3.511 ( 0.680 -0.227 -0.189) 0.741 3.546 ( 4.931 -0.397 -0.628) 4.986 3.595 ( 0.151 -2.510 6.149) 6.643 3.675 ( -2.488 -4.538 -4.334) 6.750 3.694 ( 0.437 2.885 2.779) 4.030 3.740 ( 1.709 -0.514 2.441) 3.024 3.755 ( -2.941 -1.693 -3.721) 5.036 3.821 ( 1.347 -1.669 2.823) 3.545 3.846 ( -3.275 -0.722 -0.876) 3.466 3.905 ( 0.819 -0.442 1.372) 1.658 3.943 ( -1.742 1.006 -0.949) 2.224 3.970 ( 6.472 2.744 7.018) 9.933 3.978 ( 2.417 0.066 0.619) 2.496 4.021 ( 1.647 -1.884 4.806) 5.418 4.047 ( 1.393 0.637 -0.630) 1.657 4.113 ( -2.878 -0.367 3.779) 4.764 4.180 ( 2.239 -1.942 2.196) 3.689 4.193 ( -2.267 0.033 2.826) 3.623 4.247 ( -0.196 -0.535 4.250) 4.288 4.315 ( 0.992 2.122 -0.332) 2.366 4.336 ( 0.971 1.951 2.169) 3.074 4.422 ( -5.233 1.295 -1.705) 5.654 4.435 ( 1.187 1.374 -1.030) 2.088 4.496 ( 1.688 -0.778 0.014) 1.859 4.511 ( -1.490 -0.300 0.231) 1.537 4.524 ( -2.112 0.955 0.971) 2.512 4.562 ( -1.076 1.405 7.153) 7.369 4.591 ( -0.592 3.931 -3.102) 5.042 4.661 ( -0.770 -0.034 0.116) 0.780 4.699 ( 0.718 -0.728 -1.234) 1.603 4.703 ( -1.114 0.590 -0.135) 1.268 4.730 ( 2.100 1.996 1.352) 3.197 4.814 ( -4.939 -3.716 4.794) 7.822 4.832 ( 2.882 0.219 0.222) 2.899 4.899 ( -1.529 0.360 -1.810) 2.397 4.939 ( 1.677 -1.651 0.597) 2.428 4.988 ( 2.901 -0.430 1.253) 3.189 5.045 ( 0.878 1.565 -1.544) 2.367 5.079 ( -0.245 2.733 -3.068) 4.116 5.103 ( -3.800 -1.696 0.494) 4.190 5.176 ( 2.267 -3.055 4.312) 5.750 5.212 ( 1.454 1.294 3.173) 3.723 5.265 ( -1.036 0.433 -2.412) 2.660 5.310 ( -0.898 0.698 2.713) 2.942 5.334 ( -4.195 0.809 -2.391) 4.896 5.372 ( 1.750 -0.791 -4.046) 4.478 5.414 ( 2.937 -1.585 -5.668) 6.577 5.448 ( -4.382 0.597 0.283) 4.432 5.479 ( -3.775 0.124 3.360) 5.055 5.511 ( 3.667 -2.060 -4.128) 5.893 5.531 ( -0.614 -0.351 2.995) 3.078 5.549 ( -2.204 -2.548 -2.039) 3.938 5.625 ( 3.559 -1.189 -2.552) 4.537 5.655 ( 4.951 -0.801 -3.250) 5.976 5.698 ( -2.480 -1.170 3.588) 4.515 5.771 ( -0.748 1.167 2.363) 2.740 5.777 ( 2.794 -3.256 -4.953) 6.553 5.841 ( -1.263 -1.542 0.449) 2.043 5.887 ( -1.139 -0.455 1.038) 1.607 5.915 ( -0.603 -1.378 -0.317) 1.537 5.961 ( -0.743 -0.285 0.117) 0.805 6.026 ( 2.812 3.436 -3.604) 5.718 6.074 ( 1.587 2.456 -0.769) 3.024 6.087 ( -3.104 3.384 -0.545) 4.624 6.132 ( 4.760 -1.347 1.318) 5.119 6.176 ( -1.103 2.448 1.398) 3.027 6.210 ( -3.053 -1.799 0.925) 3.662 6.245 ( -0.604 0.566 -0.869) 1.200 6.281 ( -1.775 1.334 -2.610) 3.427 6.347 ( -0.950 2.023 -1.838) 2.893 6.386 ( 1.320 -2.462 -2.372) 3.665 6.423 ( 0.501 2.329 -4.316) 4.930 6.482 ( -0.924 0.472 -2.198) 2.430 6.526 ( -0.934 1.494 -5.284) 5.570 6.594 ( 0.725 1.219 -6.977) 7.120 6.679 ( 1.671 1.108 -1.277) 2.377 6.696 ( 0.151 -0.236 -4.143) 4.152 6.835 ( 0.781 1.930 1.060) 2.336 6.915 ( 2.899 1.361 -1.879) 3.713 6.953 ( 2.247 -0.228 0.288) 2.277 7.008 ( 1.507 1.139 1.377) 2.338 7.064 ( 1.394 -2.201 -1.835) 3.187 7.092 ( -1.590 -0.048 2.212) 2.724 7.096 ( 1.055 0.230 -0.474) 1.179 7.134 ( -0.576 0.447 -0.299) 0.788 7.172 ( -0.391 -1.095 -0.301) 1.201 7.366 ( -1.416 -9.222 -0.860) 9.369 7.437 ( 0.631 0.145 -0.221) 0.684 7.455 ( 0.817 0.309 0.154) 0.887 7.575 ( 0.282 1.504 -1.308) 2.013 7.635 ( 0.591 0.153 -1.474) 1.596 9.697 ( -0.063 -0.009 -0.114) 0.130 9.699 ( -0.246 -0.016 0.072) 0.257 9.782 ( 0.660 0.132 0.124) 0.684 9.792 ( 0.868 -0.264 0.251) 0.941 10.014 ( -1.488 0.418 1.559) 2.195 10.040 ( -0.357 -0.541 0.991) 1.184 10.067 ( -0.320 0.429 0.712) 0.891 10.089 ( -0.464 -0.376 0.654) 0.885 10.528 ( -0.531 0.388 0.552) 0.858 10.547 ( -0.281 -0.362 0.149) 0.482 10.605 ( -0.119 0.022 1.454) 1.459 10.609 ( -0.290 -0.116 1.297) 1.334 12.591 ( -8.092 2.427 -0.827) 8.488 12.740 ( -9.289 -2.796 -6.606) 11.736 12.782 ( -1.417 -0.827 5.887) 6.111 12.839 ( -4.560 -1.267 4.469) 6.510 12.955 ( 7.853 3.132 -0.181) 8.456 13.066 ( 1.254 -0.506 9.101) 9.201 13.122 ( 13.328 -8.832 11.835) 19.893 13.269 ( 0.396 -5.644 -8.842) 10.497 14.086 ( -0.553 0.150 3.302) 3.352 14.127 ( -0.478 -2.353 4.345) 4.964 14.160 ( -0.723 -1.809 3.665) 4.151 14.248 ( 0.299 -3.702 1.272) 3.926 14.327 ( -0.903 2.543 1.413) 3.046 14.436 ( -2.610 1.707 -1.562) 3.488 14.484 ( 1.862 1.395 1.210) 2.622 14.523 ( 1.615 4.547 -1.599) 5.083 14.702 ( -0.810 7.305 -2.659) 7.816 14.790 ( 3.172 7.454 -2.022) 8.349 14.901 ( -1.986 0.627 -6.089) 6.436 15.127 ( 4.289 -2.182 -9.368) 10.532 ======================= Grid point 53 (30/45) ======================= q-point: ( 0.00 -0.50 0.29) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 43 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -3.629 -3.604 14.137) 15.033 1.271 ( -3.629 3.604 14.137) 15.033 1.384 ( -0.028 -7.499 7.484) 10.595 1.384 ( -0.028 7.499 7.484) 10.595 1.513 ( -2.193 -9.796 8.774) 13.332 1.513 ( -2.193 9.796 8.774) 13.332 1.636 ( 0.965 -3.495 7.873) 8.668 1.636 ( 0.965 3.495 7.873) 8.668 1.864 ( -6.527 -3.454 -0.273) 7.390 1.864 ( -6.527 3.454 -0.273) 7.390 1.957 ( 0.407 -4.406 -0.808) 4.498 1.957 ( 0.407 4.406 -0.808) 4.498 2.067 ( 0.121 -1.824 8.669) 8.860 2.067 ( 0.121 1.824 8.669) 8.860 2.247 ( 0.641 -2.617 -1.072) 2.900 2.247 ( 0.641 2.617 -1.072) 2.900 2.376 ( 3.398 -1.703 0.315) 3.814 2.376 ( 3.398 1.703 0.315) 3.814 2.413 ( 3.735 -5.928 -0.435) 7.020 2.413 ( 3.735 5.928 -0.435) 7.020 2.441 ( 1.190 -4.679 -0.495) 4.853 2.441 ( 1.190 4.679 -0.495) 4.853 2.547 ( 0.451 -6.211 0.475) 6.245 2.547 ( 0.451 6.211 0.475) 6.245 2.648 ( -0.893 -2.707 3.147) 4.246 2.648 ( -0.893 2.707 3.147) 4.246 2.751 ( -1.607 -1.057 -1.632) 2.523 2.751 ( -1.607 1.057 -1.632) 2.523 2.835 ( 1.764 -6.522 2.709) 7.279 2.835 ( 1.764 6.522 2.709) 7.279 2.917 ( 0.439 -2.465 -4.248) 4.931 2.917 ( 0.439 2.465 -4.248) 4.931 2.985 ( -5.426 -5.779 -3.828) 8.803 2.985 ( -5.426 5.779 -3.828) 8.803 3.020 ( -0.222 -6.259 -2.273) 6.663 3.020 ( -0.222 6.259 -2.273) 6.663 3.214 ( -1.269 -0.962 -4.622) 4.888 3.214 ( -1.269 0.962 -4.622) 4.888 3.264 ( 1.805 -5.136 -2.275) 5.900 3.264 ( 1.805 5.136 -2.275) 5.900 3.367 ( 0.776 -4.314 0.067) 4.383 3.367 ( 0.776 4.314 0.067) 4.383 3.419 ( 3.749 -1.199 -1.094) 4.085 3.419 ( 3.749 1.199 -1.094) 4.085 3.477 ( 3.106 -5.620 -0.433) 6.436 3.477 ( 3.106 5.620 -0.433) 6.436 3.622 ( 0.389 -2.365 0.360) 2.424 3.622 ( 0.389 2.365 0.360) 2.424 3.663 ( -1.637 -2.869 -0.009) 3.303 3.663 ( -1.637 2.869 -0.009) 3.303 3.734 ( 2.618 -3.172 0.817) 4.193 3.734 ( 2.618 3.172 0.817) 4.193 3.816 ( -1.686 -1.848 1.068) 2.720 3.816 ( -1.686 1.848 1.068) 2.720 3.906 ( -2.653 -4.965 0.385) 5.643 3.906 ( -2.653 4.965 0.385) 5.643 4.024 ( -1.129 -2.895 1.078) 3.289 4.024 ( -1.129 2.895 1.078) 3.289 4.101 ( -1.568 -5.432 -0.128) 5.655 4.101 ( -1.568 5.432 -0.128) 5.655 4.127 ( 0.495 -1.083 4.017) 4.190 4.127 ( 0.495 1.083 4.017) 4.190 4.228 ( 2.541 -2.507 6.749) 7.635 4.228 ( 2.541 2.507 6.749) 7.635 4.333 ( -4.960 -3.262 1.917) 6.239 4.333 ( -4.960 3.262 1.917) 6.239 4.387 ( 0.124 -1.806 3.844) 4.249 4.387 ( 0.124 1.806 3.844) 4.249 4.463 ( -0.189 -2.314 0.697) 2.424 4.463 ( -0.189 2.314 0.697) 2.424 4.526 ( -3.288 -4.351 0.416) 5.469 4.526 ( -3.288 4.351 0.416) 5.469 4.660 ( -0.796 -0.417 1.087) 1.410 4.660 ( -0.796 0.417 1.087) 1.410 4.691 ( -0.513 -2.078 1.146) 2.428 4.691 ( -0.513 2.078 1.146) 2.428 4.777 ( 1.029 -4.246 -3.215) 5.424 4.777 ( 1.029 4.246 -3.215) 5.424 4.821 ( -2.296 -1.533 -2.465) 3.701 4.821 ( -2.296 1.533 -2.465) 3.701 4.986 ( 3.730 -2.039 -1.620) 4.549 4.986 ( 3.730 2.039 -1.620) 4.549 5.098 ( 0.749 -0.400 0.615) 1.049 5.098 ( 0.749 0.400 0.615) 1.049 5.149 ( 0.412 -1.757 1.077) 2.101 5.149 ( 0.412 1.757 1.077) 2.101 5.272 ( 0.093 -0.797 2.462) 2.589 5.272 ( 0.093 0.797 2.462) 2.589 5.304 ( 0.456 -3.018 -2.452) 3.915 5.304 ( 0.456 3.018 -2.452) 3.915 5.376 ( -1.862 -0.792 1.735) 2.665 5.376 ( -1.862 0.792 1.735) 2.665 5.409 ( 0.809 -0.643 -4.663) 4.776 5.409 ( 0.809 0.643 -4.663) 4.776 5.506 ( 0.920 -2.278 -1.887) 3.098 5.506 ( 0.920 2.278 -1.887) 3.098 5.579 ( 0.414 -1.471 0.157) 1.537 5.579 ( 0.414 1.471 0.157) 1.537 5.729 ( 1.620 -3.728 -2.476) 4.759 5.729 ( 1.620 3.728 -2.476) 4.759 5.752 ( -3.079 -4.289 3.317) 6.235 5.752 ( -3.079 4.289 3.317) 6.235 5.848 ( 5.074 -2.445 -1.471) 5.821 5.848 ( 5.074 2.445 -1.471) 5.821 5.943 ( -0.064 -0.996 -0.492) 1.112 5.943 ( -0.064 0.996 -0.492) 1.112 6.030 ( -2.691 -0.663 -1.827) 3.319 6.030 ( -2.691 0.663 -1.827) 3.319 6.145 ( -0.375 -2.081 -2.444) 3.232 6.145 ( -0.375 2.081 -2.444) 3.232 6.220 ( 3.394 -3.905 -0.803) 5.236 6.220 ( 3.394 3.905 -0.803) 5.236 6.290 ( 1.701 -4.375 1.174) 4.839 6.290 ( 1.701 4.375 1.174) 4.839 6.339 ( -0.950 -0.427 -2.632) 2.830 6.339 ( -0.950 0.427 -2.632) 2.830 6.428 ( -2.124 -0.777 -2.934) 3.704 6.428 ( -2.124 0.777 -2.934) 3.704 6.594 ( 2.815 -2.827 -6.983) 8.042 6.594 ( 2.815 2.827 -6.983) 8.042 6.694 ( -0.208 -1.084 -2.856) 3.062 6.694 ( -0.208 1.084 -2.856) 3.062 6.901 ( -1.610 -4.301 0.523) 4.622 6.901 ( -1.610 4.301 0.523) 4.622 6.989 ( -0.046 -0.789 -0.334) 0.858 6.989 ( -0.046 0.789 -0.334) 0.858 7.090 ( 0.018 -1.259 3.639) 3.851 7.090 ( 0.018 1.259 3.639) 3.851 7.126 ( 1.780 -1.185 -1.112) 2.410 7.126 ( 1.780 1.185 -1.112) 2.410 7.206 ( -0.106 -2.507 1.187) 2.776 7.206 ( -0.106 2.507 1.187) 2.776 7.450 ( -0.611 -0.366 -0.863) 1.119 7.450 ( -0.611 0.366 -0.863) 1.119 7.596 ( -1.321 -1.360 -1.154) 2.220 7.596 ( -1.321 1.360 -1.154) 2.220 9.693 ( -0.200 -0.160 0.047) 0.260 9.693 ( -0.200 0.160 0.047) 0.260 9.798 ( 0.117 -0.025 0.157) 0.197 9.798 ( 0.117 0.025 0.157) 0.197 10.028 ( 0.635 -0.858 0.979) 1.448 10.028 ( 0.635 0.858 0.979) 1.448 10.078 ( 0.140 -0.460 1.007) 1.116 10.078 ( 0.140 0.460 1.007) 1.116 10.530 ( -0.352 -0.539 0.197) 0.673 10.530 ( -0.352 0.539 0.197) 0.673 10.609 ( -0.013 -0.084 1.368) 1.371 10.609 ( -0.013 0.084 1.368) 1.371 12.552 ( -0.937 -2.232 -1.349) 2.771 12.552 ( -0.937 2.232 -1.349) 2.771 12.749 ( -3.184 -0.806 3.623) 4.890 12.749 ( -3.184 0.806 3.623) 4.890 13.137 ( 0.929 -2.752 0.875) 3.033 13.137 ( 0.929 2.752 0.875) 3.033 13.172 ( 2.823 -1.485 6.219) 6.990 13.172 ( 2.823 1.485 6.219) 6.990 14.101 ( 0.167 -2.327 2.736) 3.595 14.101 ( 0.167 2.327 2.736) 3.595 14.170 ( -1.240 -3.130 3.775) 5.058 14.170 ( -1.240 3.130 3.775) 5.058 14.369 ( -1.224 -2.391 0.882) 2.827 14.369 ( -1.224 2.391 0.882) 2.827 14.571 ( 1.836 -2.036 -0.781) 2.851 14.571 ( 1.836 2.036 -0.781) 2.851 14.792 ( 0.987 -4.742 -2.682) 5.536 14.792 ( 0.987 4.742 -2.682) 5.536 15.047 ( 0.008 -6.850 -11.728) 13.582 15.047 ( 0.008 6.850 -11.728) 13.582 ======================= Grid point 55 (31/45) ======================= q-point: ( 0.25 -0.50 0.29) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -0.309 -2.193 12.595) 12.788 1.284 ( -0.309 2.193 12.595) 12.788 1.412 ( -0.024 -7.333 7.577) 10.544 1.412 ( -0.024 7.333 7.577) 10.544 1.501 ( -0.264 -7.481 8.654) 11.442 1.501 ( -0.264 7.481 8.654) 11.442 1.684 ( 0.446 -3.828 8.936) 9.732 1.684 ( 0.446 3.828 8.936) 9.732 1.771 ( -2.208 -5.209 0.841) 5.720 1.771 ( -2.208 5.209 0.841) 5.720 1.944 ( -2.618 -1.397 0.544) 3.017 1.944 ( -2.618 1.397 0.544) 3.017 2.045 ( -4.284 -2.067 5.372) 7.175 2.045 ( -4.284 2.067 5.372) 7.175 2.237 ( -0.287 -2.723 -1.984) 3.381 2.237 ( -0.287 2.723 -1.984) 3.381 2.373 ( -1.312 -1.345 -1.271) 2.269 2.373 ( -1.312 1.345 -1.271) 2.269 2.398 ( -4.142 -2.841 -3.049) 5.875 2.398 ( -4.142 2.841 -3.049) 5.875 2.516 ( 1.868 -4.618 0.161) 4.984 2.516 ( 1.868 4.618 0.161) 4.984 2.571 ( 1.261 -0.585 -2.104) 2.522 2.571 ( 1.261 0.585 -2.104) 2.522 2.655 ( 3.752 -3.977 4.597) 7.144 2.655 ( 3.752 3.977 4.597) 7.144 2.732 ( -0.560 -1.227 -0.464) 1.427 2.732 ( -0.560 1.227 -0.464) 1.427 2.844 ( -2.512 -3.772 1.100) 4.664 2.844 ( -2.512 3.772 1.100) 4.664 2.907 ( 1.438 -4.650 -2.326) 5.395 2.907 ( 1.438 4.650 -2.326) 5.395 2.973 ( 5.158 -5.656 -2.263) 7.982 2.973 ( 5.158 5.656 -2.263) 7.982 2.994 ( -2.257 -5.582 -3.010) 6.731 2.994 ( -2.257 5.582 -3.010) 6.731 3.227 ( 3.098 -0.591 -1.845) 3.653 3.227 ( 3.098 0.591 -1.845) 3.653 3.310 ( 2.706 -3.858 -1.786) 5.040 3.310 ( 2.706 3.858 -1.786) 5.040 3.382 ( -0.021 -6.094 1.998) 6.413 3.382 ( -0.021 6.094 1.998) 6.413 3.481 ( 1.910 -0.921 -2.221) 3.071 3.481 ( 1.910 0.921 -2.221) 3.071 3.504 ( -1.741 -5.055 2.879) 6.072 3.504 ( -1.741 5.055 2.879) 6.072 3.614 ( -1.293 -0.541 2.351) 2.737 3.614 ( -1.293 0.541 2.351) 2.737 3.652 ( 2.018 -3.233 -1.213) 4.000 3.652 ( 2.018 3.233 -1.213) 4.000 3.738 ( -5.035 -1.273 -1.330) 5.361 3.738 ( -5.035 1.273 -1.330) 5.361 3.785 ( 2.570 -2.557 -0.364) 3.643 3.785 ( 2.570 2.557 -0.364) 3.643 3.886 ( 0.161 -1.177 1.859) 2.206 3.886 ( 0.161 1.177 1.859) 2.206 3.932 ( -6.269 -2.094 -0.669) 6.643 3.932 ( -6.269 2.094 -0.669) 6.643 4.075 ( -2.639 -1.687 -1.931) 3.680 4.075 ( -2.639 1.687 -1.931) 3.680 4.163 ( 1.363 -1.839 5.061) 5.555 4.163 ( 1.363 1.839 5.061) 5.555 4.221 ( -0.917 -0.591 5.349) 5.459 4.221 ( -0.917 0.591 5.349) 5.459 4.322 ( 0.377 -1.595 -2.471) 2.965 4.322 ( 0.377 1.595 -2.471) 2.965 4.406 ( -2.692 -3.581 1.389) 4.690 4.406 ( -2.692 3.581 1.389) 4.690 4.457 ( 3.945 -1.366 4.539) 6.167 4.457 ( 3.945 1.366 4.539) 6.167 4.528 ( 1.884 -3.238 3.536) 5.151 4.528 ( 1.884 3.238 3.536) 5.151 4.628 ( -3.620 -4.875 -1.198) 6.190 4.628 ( -3.620 4.875 -1.198) 6.190 4.698 ( 1.235 -1.684 2.946) 3.611 4.698 ( 1.235 1.684 2.946) 3.611 4.738 ( 0.618 -3.750 -2.592) 4.600 4.738 ( 0.618 3.750 -2.592) 4.600 4.858 ( 1.618 -2.014 0.648) 2.663 4.858 ( 1.618 2.014 0.648) 2.663 5.003 ( -3.127 -3.002 2.088) 4.811 5.003 ( -3.127 3.002 2.088) 4.811 5.084 ( -0.002 -1.799 -0.047) 1.800 5.084 ( -0.002 1.799 -0.047) 1.800 5.169 ( 0.342 -1.036 1.325) 1.716 5.169 ( 0.342 1.036 1.325) 1.716 5.281 ( -0.099 -4.212 1.221) 4.386 5.281 ( -0.099 4.212 1.221) 4.386 5.305 ( -0.449 -3.273 -5.479) 6.398 5.305 ( -0.449 3.273 -5.479) 6.398 5.350 ( 2.123 -1.910 -1.989) 3.481 5.350 ( 2.123 1.910 -1.989) 3.481 5.448 ( 2.956 -3.284 -2.669) 5.162 5.448 ( 2.956 3.284 -2.669) 5.162 5.528 ( 0.579 -2.630 -0.819) 2.815 5.528 ( 0.579 2.630 -0.819) 2.815 5.577 ( -0.893 -1.369 1.237) 2.050 5.577 ( -0.893 1.369 1.237) 2.050 5.669 ( -1.627 -5.182 -5.856) 7.987 5.669 ( -1.627 5.182 -5.856) 7.987 5.753 ( -1.461 -2.499 1.638) 3.326 5.753 ( -1.461 2.499 1.638) 3.326 5.888 ( -0.482 -1.131 -0.550) 1.347 5.888 ( -0.482 1.131 -0.550) 1.347 5.959 ( 2.299 -3.239 -2.167) 4.525 5.959 ( 2.299 3.239 -2.167) 4.525 6.024 ( 1.058 -1.258 2.254) 2.790 6.024 ( 1.058 1.258 2.254) 2.790 6.154 ( 0.378 -3.602 0.436) 3.647 6.154 ( 0.378 3.602 0.436) 3.647 6.222 ( 0.155 -2.941 -3.020) 4.218 6.222 ( 0.155 2.941 -3.020) 4.218 6.304 ( -1.802 -2.364 1.554) 3.354 6.304 ( -1.802 2.364 1.554) 3.354 6.334 ( 0.788 -1.720 -3.675) 4.133 6.334 ( 0.788 1.720 -3.675) 4.133 6.430 ( 4.179 -0.489 -4.309) 6.022 6.430 ( 4.179 0.489 -4.309) 6.022 6.629 ( 1.995 -1.999 -4.589) 5.389 6.629 ( 1.995 1.999 -4.589) 5.389 6.667 ( -1.010 -1.720 -4.998) 5.381 6.667 ( -1.010 1.720 -4.998) 5.381 6.857 ( -2.012 -4.280 0.210) 4.734 6.857 ( -2.012 4.280 0.210) 4.734 6.988 ( -0.944 -1.060 1.916) 2.384 6.988 ( -0.944 1.060 1.916) 2.384 7.081 ( -1.260 -1.537 1.869) 2.728 7.081 ( -1.260 1.537 1.869) 2.728 7.159 ( 1.334 -2.531 -1.125) 3.075 7.159 ( 1.334 2.531 -1.125) 3.075 7.196 ( -1.040 -0.567 0.665) 1.358 7.196 ( -1.040 0.567 0.665) 1.358 7.441 ( -0.048 -0.851 0.147) 0.864 7.441 ( -0.048 0.851 0.147) 0.864 7.576 ( -0.170 -1.125 -0.513) 1.248 7.576 ( -0.170 1.125 -0.513) 1.248 9.693 ( 0.151 -0.320 0.105) 0.369 9.693 ( 0.151 0.320 0.105) 0.369 9.791 ( -0.747 -0.353 0.082) 0.830 9.791 ( -0.747 0.353 0.082) 0.830 10.042 ( 0.220 -0.422 0.840) 0.965 10.042 ( 0.220 0.422 0.840) 0.965 10.086 ( 0.355 -0.406 0.500) 0.736 10.086 ( 0.355 0.406 0.500) 0.736 10.530 ( 0.275 -0.447 0.364) 0.639 10.530 ( 0.275 0.447 0.364) 0.639 10.611 ( -0.196 -0.164 1.280) 1.305 10.611 ( -0.196 0.164 1.280) 1.305 12.611 ( 6.540 -1.049 0.188) 6.627 12.611 ( 6.540 1.049 0.188) 6.627 12.738 ( 1.224 -0.555 4.689) 4.877 12.738 ( 1.224 0.555 4.689) 4.877 13.072 ( -6.518 -5.870 -4.846) 10.021 13.072 ( -6.518 5.870 -4.846) 10.021 13.209 ( -1.971 -6.108 7.815) 10.112 13.209 ( -1.971 6.108 7.815) 10.112 14.109 ( -0.306 -2.970 1.533) 3.356 14.109 ( -0.306 2.970 1.533) 3.356 14.157 ( -0.993 -1.870 4.479) 4.954 14.157 ( -0.993 1.870 4.479) 4.954 14.363 ( 0.197 -0.956 2.055) 2.275 14.363 ( 0.197 0.956 2.055) 2.275 14.588 ( 0.176 -2.218 -2.076) 3.043 14.588 ( 0.176 2.218 -2.076) 3.043 14.822 ( 2.729 -5.636 -3.271) 7.065 14.822 ( 2.729 5.636 -3.271) 7.065 14.986 ( -2.103 -5.559 -8.944) 10.739 14.986 ( -2.103 5.559 -8.944) 10.739 ======================= Grid point 57 (32/45) ======================= q-point: (-0.50 -0.50 0.29) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 43 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -1.361 -7.232 12.050) 14.119 1.303 ( -1.361 7.232 12.050) 14.119 1.436 ( -0.894 -7.296 10.612) 12.909 1.436 ( -0.894 7.296 10.612) 12.909 1.513 ( -3.034 -4.343 6.601) 8.464 1.513 ( -3.034 4.343 6.601) 8.464 1.710 ( -0.071 -2.507 6.291) 6.773 1.710 ( -0.071 2.507 6.291) 6.773 1.785 ( 0.995 -6.250 4.493) 7.761 1.785 ( 0.995 6.250 4.493) 7.761 1.896 ( -0.332 -0.893 2.887) 3.040 1.896 ( -0.332 0.893 2.887) 3.040 2.010 ( 2.279 -4.260 -0.289) 4.840 2.010 ( 2.279 4.260 -0.289) 4.840 2.202 ( -3.110 -2.048 -4.842) 6.109 2.202 ( -3.110 2.048 -4.842) 6.109 2.298 ( -2.238 -0.815 -0.825) 2.521 2.298 ( -2.238 0.815 -0.825) 2.521 2.389 ( 0.257 -3.668 1.612) 4.015 2.389 ( 0.257 3.668 1.612) 4.015 2.498 ( -2.234 -1.980 -0.182) 2.991 2.498 ( -2.234 1.980 -0.182) 2.991 2.587 ( 0.281 -2.560 -0.763) 2.686 2.587 ( 0.281 2.560 -0.763) 2.686 2.690 ( -0.793 -0.432 0.420) 0.996 2.690 ( -0.793 0.432 0.420) 0.996 2.751 ( -0.156 -6.712 -2.218) 7.070 2.751 ( -0.156 6.712 -2.218) 7.070 2.828 ( 1.307 -2.892 1.792) 3.644 2.828 ( 1.307 2.892 1.792) 3.644 2.896 ( -2.945 -2.325 1.145) 3.923 2.896 ( -2.945 2.325 1.145) 3.923 2.977 ( 4.016 -2.265 -4.672) 6.564 2.977 ( 4.016 2.265 -4.672) 6.564 3.094 ( 5.922 -6.913 -1.680) 9.257 3.094 ( 5.922 6.913 -1.680) 9.257 3.226 ( -2.607 -4.814 -2.466) 6.004 3.226 ( -2.607 4.814 -2.466) 6.004 3.312 ( -0.533 -2.557 -1.495) 3.010 3.312 ( -0.533 2.557 -1.495) 3.010 3.396 ( -1.686 -1.128 -0.496) 2.088 3.396 ( -1.686 1.128 -0.496) 2.088 3.454 ( -0.140 -0.359 -3.548) 3.569 3.454 ( -0.140 0.359 -3.548) 3.569 3.498 ( 0.585 -1.897 4.312) 4.747 3.498 ( 0.585 1.897 4.312) 4.747 3.573 ( -4.697 -2.068 2.591) 5.749 3.573 ( -4.697 2.068 2.591) 5.749 3.633 ( -3.397 -2.823 1.354) 4.620 3.633 ( -3.397 2.823 1.354) 4.620 3.739 ( 3.861 -0.288 0.769) 3.947 3.739 ( 3.861 0.288 0.769) 3.947 3.819 ( -0.071 -2.522 -1.209) 2.798 3.819 ( -0.071 2.522 -1.209) 2.798 3.881 ( 1.798 -3.625 3.225) 5.175 3.881 ( 1.798 3.625 3.225) 5.175 3.925 ( 3.213 -1.659 1.172) 3.801 3.925 ( 3.213 1.659 1.172) 3.801 3.998 ( -2.827 -1.065 -1.887) 3.562 3.998 ( -2.827 1.065 -1.887) 3.562 4.184 ( -1.683 -1.521 4.311) 4.871 4.184 ( -1.683 1.521 4.311) 4.871 4.247 ( 0.110 -0.699 2.154) 2.267 4.247 ( 0.110 0.699 2.154) 2.267 4.303 ( 0.942 -0.802 1.579) 2.006 4.303 ( 0.942 0.802 1.579) 2.006 4.415 ( 2.261 -2.075 -0.446) 3.101 4.415 ( 2.261 2.075 -0.446) 3.101 4.527 ( 0.230 -0.639 1.790) 1.914 4.527 ( 0.230 0.639 1.790) 1.914 4.563 ( -0.913 -2.107 1.639) 2.821 4.563 ( -0.913 2.107 1.639) 2.821 4.586 ( 1.770 -0.909 2.046) 2.854 4.586 ( 1.770 0.909 2.046) 2.854 4.722 ( 1.697 -2.870 2.573) 4.212 4.722 ( 1.697 2.870 2.573) 4.212 4.765 ( 1.012 -1.004 -3.130) 3.440 4.765 ( 1.012 1.004 -3.130) 3.440 4.860 ( -1.570 -2.673 1.854) 3.612 4.860 ( -1.570 2.673 1.854) 3.612 4.961 ( -1.440 -0.856 6.223) 6.445 4.961 ( -1.440 0.856 6.223) 6.445 5.068 ( -1.797 -2.461 0.597) 3.105 5.068 ( -1.797 2.461 0.597) 3.105 5.145 ( -0.682 -1.823 -4.213) 4.641 5.145 ( -0.682 1.823 -4.213) 4.641 5.284 ( 0.104 -4.067 -2.182) 4.616 5.284 ( 0.104 4.067 -2.182) 4.616 5.317 ( 0.949 -3.931 -2.141) 4.575 5.317 ( 0.949 3.931 -2.141) 4.575 5.376 ( 0.891 -3.385 -2.310) 4.194 5.376 ( 0.891 3.385 -2.310) 4.194 5.453 ( -1.153 -1.247 -3.841) 4.200 5.453 ( -1.153 1.247 -3.841) 4.200 5.532 ( 1.925 -3.480 1.348) 4.200 5.532 ( 1.925 3.480 1.348) 4.200 5.575 ( 0.777 -1.384 -2.456) 2.924 5.575 ( 0.777 1.384 -2.456) 2.924 5.645 ( -0.255 -0.585 -3.991) 4.042 5.645 ( -0.255 0.585 -3.991) 4.042 5.733 ( -1.306 -0.940 -0.860) 1.824 5.733 ( -1.306 0.940 -0.860) 1.824 5.878 ( 0.663 -2.062 0.093) 2.168 5.878 ( 0.663 2.062 0.093) 2.168 5.956 ( -1.786 -0.500 -1.349) 2.294 5.956 ( -1.786 0.500 -1.349) 2.294 6.048 ( -0.323 -1.096 4.942) 5.072 6.048 ( -0.323 1.096 4.942) 5.072 6.156 ( 1.166 -3.491 -2.936) 4.708 6.156 ( 1.166 3.491 -2.936) 4.708 6.216 ( -1.204 -1.767 0.686) 2.246 6.216 ( -1.204 1.767 0.686) 2.246 6.301 ( -0.810 -3.322 1.299) 3.658 6.301 ( -0.810 3.322 1.299) 3.658 6.330 ( 1.657 -1.111 -4.726) 5.130 6.330 ( 1.657 1.111 -4.726) 5.130 6.475 ( 0.627 -1.477 -1.961) 2.534 6.475 ( 0.627 1.477 -1.961) 2.534 6.601 ( -1.099 -1.048 -3.898) 4.183 6.601 ( -1.099 1.048 -3.898) 4.183 6.681 ( 2.689 -1.645 -7.056) 7.728 6.681 ( 2.689 1.645 -7.056) 7.728 6.850 ( 1.251 -3.368 -0.865) 3.695 6.850 ( 1.251 3.368 -0.865) 3.695 6.980 ( 0.246 -1.679 2.595) 3.100 6.980 ( 0.246 1.679 2.595) 3.100 7.067 ( -0.627 -1.706 0.155) 1.824 7.067 ( -0.627 1.706 0.155) 1.824 7.145 ( -2.143 -1.869 0.980) 3.008 7.145 ( -2.143 1.869 0.980) 3.008 7.197 ( 0.523 -4.044 0.259) 4.086 7.197 ( 0.523 4.044 0.259) 4.086 7.439 ( -0.071 -0.773 0.601) 0.981 7.439 ( -0.071 0.773 0.601) 0.981 7.594 ( 1.910 -0.943 -0.857) 2.295 7.594 ( 1.910 0.943 -0.857) 2.295 9.697 ( 0.214 -0.197 0.116) 0.314 9.697 ( 0.214 0.197 0.116) 0.314 9.780 ( -0.249 -0.168 0.056) 0.306 9.780 ( -0.249 0.168 0.056) 0.306 10.039 ( -0.776 -0.194 1.177) 1.423 10.039 ( -0.776 0.194 1.177) 1.423 10.087 ( -0.408 -0.543 0.168) 0.700 10.087 ( -0.408 0.543 0.168) 0.700 10.538 ( 0.250 -0.430 0.458) 0.676 10.538 ( 0.250 0.430 0.458) 0.676 10.609 ( -0.427 -0.207 1.247) 1.335 10.609 ( -0.427 0.207 1.247) 1.335 12.733 ( 4.233 -2.732 5.429) 7.406 12.733 ( 4.233 2.732 5.429) 7.406 12.833 ( 4.907 -1.414 1.457) 5.311 12.833 ( 4.907 1.414 1.457) 5.311 12.897 ( -7.584 -4.248 -1.501) 8.822 12.897 ( -7.584 4.248 -1.501) 8.822 13.160 ( -3.887 -6.930 1.904) 8.171 13.160 ( -3.887 6.930 1.904) 8.171 14.099 ( -0.984 -2.108 2.182) 3.189 14.099 ( -0.984 2.108 2.182) 3.189 14.164 ( 0.014 -2.024 3.942) 4.432 14.164 ( 0.014 2.024 3.942) 4.432 14.382 ( 0.798 -1.986 2.237) 3.096 14.382 ( 0.798 1.986 2.237) 3.096 14.566 ( -1.349 -0.976 -2.673) 3.149 14.566 ( -1.349 0.976 -2.673) 3.149 14.832 ( -0.916 -1.409 -3.732) 4.093 14.832 ( -0.916 1.409 -3.732) 4.093 14.975 ( 3.973 -3.572 -7.022) 8.824 14.975 ( 3.973 3.572 -7.022) 8.824 ======================= Grid point 59 (33/45) ======================= q-point: (-0.25 -0.50 0.29) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -3.152 -4.914 14.937) 16.038 1.316 ( -3.152 4.914 14.937) 16.038 1.388 ( -4.661 -1.217 8.337) 9.629 1.388 ( -4.661 1.217 8.337) 9.629 1.495 ( -0.192 -8.334 7.909) 11.491 1.495 ( -0.192 8.334 7.909) 11.491 1.657 ( -4.787 -1.029 4.776) 6.840 1.657 ( -4.787 1.029 4.776) 6.840 1.868 ( 4.501 -4.233 4.683) 7.753 1.868 ( 4.501 4.233 4.683) 7.753 1.974 ( 5.205 -3.742 2.729) 6.967 1.974 ( 5.205 3.742 2.729) 6.967 2.039 ( -4.264 -2.626 0.692) 5.055 2.039 ( -4.264 2.626 0.692) 5.055 2.210 ( 8.976 -2.668 -6.193) 11.227 2.210 ( 8.976 2.668 -6.193) 11.227 2.258 ( -1.745 -0.528 2.695) 3.253 2.258 ( -1.745 0.528 2.695) 3.253 2.388 ( -0.318 -5.138 -0.115) 5.149 2.388 ( -0.318 5.138 -0.115) 5.149 2.468 ( -1.862 -6.938 3.729) 8.094 2.468 ( -1.862 6.938 3.729) 8.094 2.572 ( -2.034 -2.950 -0.697) 3.650 2.572 ( -2.034 2.950 -0.697) 3.650 2.647 ( -1.870 -2.143 3.079) 4.192 2.647 ( -1.870 2.143 3.079) 4.192 2.752 ( 1.358 -2.424 -1.004) 2.954 2.752 ( 1.358 2.424 -1.004) 2.954 2.821 ( -1.372 -2.758 2.189) 3.779 2.821 ( -1.372 2.758 2.189) 3.779 2.919 ( 3.273 -6.256 -4.503) 8.374 2.919 ( 3.273 6.256 -4.503) 8.374 3.000 ( -0.224 -3.564 -5.748) 6.767 3.000 ( -0.224 3.564 -5.748) 6.767 3.111 ( -2.898 -0.514 -1.785) 3.442 3.111 ( -2.898 0.514 -1.785) 3.442 3.218 ( 1.809 -1.789 -2.882) 3.844 3.218 ( 1.809 1.789 -2.882) 3.844 3.314 ( -3.842 -2.306 -4.428) 6.300 3.314 ( -3.842 2.306 -4.428) 6.300 3.350 ( 3.108 -2.407 -0.111) 3.933 3.350 ( 3.108 2.407 -0.111) 3.933 3.393 ( -3.457 -1.042 -1.673) 3.980 3.393 ( -3.457 1.042 -1.673) 3.980 3.465 ( -2.653 -4.215 -2.634) 5.634 3.465 ( -2.653 4.215 -2.634) 5.634 3.585 ( 3.156 -2.658 3.557) 5.448 3.585 ( 3.156 2.658 3.557) 5.448 3.651 ( 2.810 -3.010 4.277) 5.937 3.651 ( 2.810 3.010 4.277) 5.937 3.725 ( -2.794 -1.177 -1.183) 3.255 3.725 ( -2.794 1.177 -1.183) 3.255 3.829 ( -0.343 -2.829 0.130) 2.853 3.829 ( -0.343 2.829 0.130) 2.853 3.922 ( 1.008 -4.037 3.102) 5.190 3.922 ( 1.008 4.037 3.102) 5.190 3.993 ( 2.766 -1.870 0.392) 3.362 3.993 ( 2.766 1.870 0.392) 3.362 4.040 ( 6.032 -1.084 5.684) 8.359 4.040 ( 6.032 1.084 5.684) 8.359 4.146 ( -2.101 -1.788 0.319) 2.778 4.146 ( -2.101 1.788 0.319) 2.778 4.212 ( -4.031 -1.869 5.929) 7.409 4.212 ( -4.031 1.869 5.929) 7.409 4.350 ( 1.844 -0.657 2.958) 3.547 4.350 ( 1.844 0.657 2.958) 3.547 4.441 ( -1.742 -1.860 -2.418) 3.513 4.441 ( -1.742 1.860 -2.418) 3.513 4.478 ( -2.479 -2.620 0.399) 3.629 4.478 ( -2.479 2.620 0.399) 3.629 4.565 ( -0.464 -2.256 2.969) 3.757 4.565 ( -0.464 2.256 2.969) 3.757 4.647 ( 3.062 -1.865 1.244) 3.795 4.647 ( 3.062 1.865 1.244) 3.795 4.699 ( -3.268 -2.890 0.431) 4.384 4.699 ( -3.268 2.890 0.431) 4.384 4.762 ( -0.577 -2.489 -0.732) 2.658 4.762 ( -0.577 2.489 -0.732) 2.658 4.878 ( 2.169 -2.706 0.388) 3.490 4.878 ( 2.169 2.706 0.388) 3.490 4.964 ( -1.617 -3.323 -2.559) 4.495 4.964 ( -1.617 3.323 -2.559) 4.495 5.048 ( 1.210 -1.171 1.363) 2.166 5.048 ( 1.210 1.171 1.363) 2.166 5.125 ( 1.169 -1.221 -2.326) 2.876 5.125 ( 1.169 1.221 -2.326) 2.876 5.291 ( -1.543 -3.777 4.263) 5.901 5.291 ( -1.543 3.777 4.263) 5.901 5.307 ( 1.060 -2.674 -5.425) 6.140 5.307 ( 1.060 2.674 -5.425) 6.140 5.374 ( -0.138 -1.770 -0.507) 1.846 5.374 ( -0.138 1.770 -0.507) 1.846 5.457 ( -0.612 -0.911 -2.421) 2.658 5.457 ( -0.612 0.911 -2.421) 2.658 5.493 ( -1.143 -1.276 -1.756) 2.454 5.493 ( -1.143 1.276 -1.756) 2.454 5.597 ( -2.821 -3.713 0.739) 4.721 5.597 ( -2.821 3.713 0.739) 4.721 5.653 ( 4.939 -3.591 -2.629) 6.649 5.653 ( 4.939 3.591 -2.629) 6.649 5.749 ( 4.135 -2.391 -1.539) 5.019 5.749 ( 4.135 2.391 -1.539) 5.019 5.850 ( -4.777 -2.489 0.774) 5.442 5.850 ( -4.777 2.489 0.774) 5.442 5.934 ( 0.298 -1.919 0.173) 1.949 5.934 ( 0.298 1.919 0.173) 1.949 6.086 ( 2.010 -1.886 -1.497) 3.137 6.086 ( 2.010 1.886 -1.497) 3.137 6.139 ( -0.573 -1.504 0.062) 1.610 6.139 ( -0.573 1.504 0.062) 1.610 6.189 ( -1.883 -2.704 -2.285) 4.010 6.189 ( -1.883 2.704 -2.285) 4.010 6.281 ( -0.594 -2.973 1.782) 3.517 6.281 ( -0.594 2.973 1.782) 3.517 6.349 ( 0.817 -1.495 -2.475) 3.004 6.349 ( 0.817 1.495 -2.475) 3.004 6.467 ( -0.789 -1.624 -1.458) 2.321 6.467 ( -0.789 1.624 -1.458) 2.321 6.581 ( 0.553 -2.444 -6.253) 6.736 6.581 ( 0.553 2.444 -6.253) 6.736 6.697 ( 1.022 -0.722 -4.594) 4.762 6.697 ( 1.022 0.722 -4.594) 4.762 6.886 ( 2.469 -2.658 -0.998) 3.762 6.886 ( 2.469 2.658 -0.998) 3.762 7.002 ( 0.032 -3.286 0.566) 3.334 7.002 ( 0.032 3.286 0.566) 3.334 7.063 ( 0.558 -3.189 2.159) 3.891 7.063 ( 0.558 3.189 2.159) 3.891 7.116 ( -0.640 -1.547 0.561) 1.766 7.116 ( -0.640 1.547 0.561) 1.766 7.203 ( -0.047 -4.888 1.061) 5.003 7.203 ( -0.047 4.888 1.061) 5.003 7.449 ( 0.770 -0.697 -0.076) 1.041 7.449 ( 0.770 0.697 -0.076) 1.041 7.614 ( 0.244 -1.823 -1.595) 2.434 7.614 ( 0.244 1.823 -1.595) 2.434 9.698 ( -0.217 -0.055 0.049) 0.229 9.698 ( -0.217 0.055 0.049) 0.229 9.786 ( 0.804 -0.287 0.154) 0.868 9.786 ( 0.804 0.287 0.154) 0.868 10.026 ( -0.780 -0.716 1.322) 1.694 10.026 ( -0.780 0.716 1.322) 1.694 10.078 ( -0.463 -0.589 0.636) 0.983 10.078 ( -0.463 0.589 0.636) 0.983 10.538 ( -0.384 -0.532 0.282) 0.714 10.538 ( -0.384 0.532 0.282) 0.714 10.606 ( -0.216 -0.121 1.349) 1.372 10.606 ( -0.216 0.121 1.349) 1.372 12.658 ( -9.125 -3.927 -2.767) 10.312 12.658 ( -9.125 3.927 -2.767) 10.312 12.795 ( -1.707 -1.765 5.101) 5.661 12.795 ( -1.707 1.765 5.101) 5.661 13.021 ( 7.318 -2.353 9.428) 12.165 13.021 ( 7.318 2.353 9.428) 12.165 13.129 ( 1.517 -6.840 -2.948) 7.601 13.129 ( 1.517 6.840 -2.948) 7.601 14.094 ( -0.405 -1.715 2.971) 3.454 14.094 ( -0.405 1.715 2.971) 3.454 14.173 ( -0.357 -2.998 3.599) 4.698 14.173 ( -0.357 2.998 3.599) 4.698 14.390 ( -0.773 -3.382 0.944) 3.596 14.390 ( -0.773 3.382 0.944) 3.596 14.547 ( 0.441 -1.731 -1.215) 2.161 14.547 ( 0.441 1.731 -1.215) 2.161 14.801 ( -0.848 -3.652 -2.729) 4.637 14.801 ( -0.848 3.652 -2.729) 4.637 15.038 ( 4.354 -6.893 -10.174) 13.038 15.038 ( 4.354 6.893 -10.174) 13.038 ======================= Grid point 65 (34/45) ======================= q-point: ( 0.00 0.00 0.43) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 3.425 0.000 20.590) 20.873 1.417 ( -4.109 0.000 11.573) 12.281 1.547 ( -1.099 0.000 18.513) 18.546 1.570 ( -0.131 0.000 -6.581) 6.583 1.670 ( -7.576 0.000 -7.307) 10.525 1.685 ( -1.269 0.000 6.657) 6.777 1.779 ( -0.081 0.000 -1.977) 1.979 1.846 ( 6.789 0.000 -1.354) 6.923 1.885 ( -2.149 0.000 -7.274) 7.585 1.921 ( -8.190 0.000 -3.003) 8.723 1.995 ( 2.219 0.000 0.184) 2.227 2.007 ( 2.182 0.000 4.602) 5.093 2.066 ( -0.190 0.000 5.748) 5.751 2.088 ( -0.404 0.000 1.845) 1.889 2.162 ( 2.246 0.000 -0.971) 2.447 2.177 ( 1.980 0.000 -8.246) 8.480 2.258 ( 3.284 0.000 -2.487) 4.119 2.314 ( -2.984 0.000 -3.961) 4.959 2.358 ( -3.248 0.000 -0.838) 3.354 2.362 ( 1.914 0.000 -0.618) 2.011 2.462 ( -4.437 0.000 9.059) 10.087 2.517 ( 1.441 0.000 8.805) 8.922 2.573 ( 1.456 0.000 -3.926) 4.188 2.657 ( -0.384 0.000 -3.493) 3.514 2.678 ( -0.440 0.000 4.052) 4.076 2.729 ( -0.305 0.000 0.861) 0.913 2.775 ( 4.347 0.000 -1.692) 4.665 2.806 ( 3.175 0.000 -5.252) 6.137 2.849 ( -4.191 0.000 1.291) 4.386 2.891 ( 4.205 0.000 8.693) 9.656 2.912 ( 0.323 0.000 7.875) 7.882 2.951 ( -2.488 0.000 2.481) 3.514 2.978 ( 4.862 0.000 1.016) 4.967 2.984 ( 0.142 0.000 -1.164) 1.172 3.030 ( -4.517 0.000 -2.468) 5.147 3.072 ( 7.778 0.000 -1.896) 8.006 3.084 ( 0.940 0.000 -4.180) 4.284 3.087 ( 0.316 0.000 5.029) 5.039 3.212 ( -0.260 0.000 0.532) 0.592 3.245 ( -4.192 0.000 -1.124) 4.340 3.286 ( -0.333 0.000 0.602) 0.688 3.358 ( -1.301 0.000 -0.968) 1.622 3.378 ( 4.817 0.000 2.732) 5.538 3.449 ( 1.221 0.000 -5.592) 5.724 3.467 ( -2.956 0.000 -1.970) 3.552 3.508 ( -3.608 0.000 0.704) 3.676 3.518 ( -0.914 0.000 -5.246) 5.325 3.579 ( -4.021 0.000 0.571) 4.062 3.590 ( 2.538 0.000 -3.456) 4.288 3.617 ( 3.680 0.000 -7.539) 8.389 3.682 ( -1.888 0.000 0.665) 2.001 3.756 ( -3.520 0.000 -4.893) 6.027 3.801 ( 0.304 0.000 2.206) 2.227 3.825 ( -0.711 0.000 6.421) 6.460 3.851 ( 0.371 0.000 -0.392) 0.539 3.923 ( 1.007 0.000 1.293) 1.639 3.966 ( -0.668 0.000 -2.481) 2.569 3.966 ( -4.111 0.000 -8.840) 9.750 4.076 ( -1.651 0.000 2.326) 2.852 4.112 ( 2.437 0.000 0.363) 2.463 4.160 ( -1.019 0.000 6.273) 6.355 4.240 ( 2.655 0.000 -2.074) 3.369 4.249 ( -1.573 0.000 -0.844) 1.785 4.294 ( 2.551 0.000 -5.675) 6.222 4.377 ( 1.548 0.000 4.224) 4.498 4.417 ( -0.790 0.000 -0.720) 1.069 4.418 ( 3.381 0.000 4.503) 5.631 4.467 ( -1.496 0.000 -1.738) 2.293 4.490 ( -3.461 0.000 1.191) 3.660 4.490 ( 2.567 0.000 3.217) 4.116 4.549 ( -1.115 0.000 4.588) 4.722 4.610 ( -0.766 0.000 3.592) 3.673 4.629 ( -0.120 0.000 -2.258) 2.261 4.646 ( 4.839 0.000 -1.785) 5.158 4.659 ( -5.370 0.000 2.170) 5.791 4.718 ( 4.509 0.000 0.687) 4.561 4.753 ( 1.949 0.000 8.259) 8.486 4.823 ( 1.749 0.000 -1.781) 2.496 4.905 ( -3.122 0.000 3.495) 4.687 4.942 ( -3.548 0.000 3.117) 4.722 4.953 ( 0.564 0.000 -2.198) 2.269 5.002 ( 0.873 0.000 -3.439) 3.548 5.010 ( -0.616 0.000 0.576) 0.843 5.054 ( -1.465 0.000 -2.023) 2.498 5.148 ( 2.168 0.000 -1.215) 2.485 5.180 ( 1.542 0.000 4.934) 5.169 5.195 ( 0.975 0.000 -4.369) 4.476 5.246 ( -2.948 0.000 -1.667) 3.386 5.269 ( 0.571 0.000 2.348) 2.416 5.300 ( -1.341 0.000 -0.060) 1.343 5.350 ( -6.289 0.000 3.110) 7.016 5.360 ( 2.601 0.000 0.765) 2.711 5.387 ( -2.238 0.000 -2.682) 3.494 5.451 ( 2.514 0.000 -3.304) 4.152 5.513 ( -0.440 0.000 1.499) 1.562 5.537 ( 3.380 0.000 -0.932) 3.506 5.644 ( -1.062 0.000 -3.565) 3.720 5.662 ( 3.977 0.000 -6.500) 7.621 5.748 ( 0.528 0.000 4.012) 4.046 5.757 ( -5.519 0.000 4.087) 6.868 5.813 ( -2.453 0.000 7.042) 7.456 5.815 ( 1.151 0.000 1.450) 1.852 5.892 ( 0.368 0.000 -3.074) 3.096 5.917 ( 2.310 0.000 1.277) 2.639 5.943 ( 1.709 0.000 -4.281) 4.610 5.968 ( 1.222 0.000 5.979) 6.103 5.983 ( -1.042 0.000 4.085) 4.216 5.990 ( 1.294 0.000 0.420) 1.360 6.031 ( -1.367 0.000 -4.690) 4.886 6.073 ( -2.507 0.000 -4.328) 5.001 6.125 ( 0.864 0.000 -4.790) 4.867 6.158 ( 3.811 0.000 -6.365) 7.419 6.207 ( -0.745 0.000 3.050) 3.140 6.212 ( -2.616 0.000 1.762) 3.154 6.286 ( 1.706 0.000 -6.034) 6.271 6.291 ( 1.364 0.000 -2.164) 2.558 6.395 ( -0.118 0.000 -1.354) 1.359 6.401 ( -1.958 0.000 0.069) 1.959 6.419 ( 1.971 0.000 1.027) 2.222 6.480 ( 1.127 0.000 -4.374) 4.517 6.679 ( -0.662 0.000 1.064) 1.253 6.694 ( 0.064 0.000 -0.307) 0.313 6.832 ( -2.272 0.000 2.362) 3.277 6.884 ( 2.160 0.000 -2.630) 3.404 7.021 ( 0.530 0.000 0.248) 0.585 7.042 ( -3.248 0.000 1.039) 3.410 7.061 ( 0.694 0.000 -1.746) 1.879 7.070 ( 1.918 0.000 -0.269) 1.937 7.128 ( -0.357 0.000 0.951) 1.016 7.143 ( 3.310 0.000 -0.531) 3.352 7.180 ( 3.259 0.000 1.998) 3.823 7.252 ( -7.201 0.000 -5.001) 8.767 7.460 ( 2.698 0.000 0.757) 2.802 7.468 ( -2.763 0.000 -0.018) 2.763 7.575 ( 2.186 0.000 0.394) 2.221 7.586 ( -2.133 0.000 -0.745) 2.259 9.692 ( -0.612 0.000 0.139) 0.627 9.695 ( 0.392 0.000 -0.122) 0.410 9.800 ( 0.820 0.000 0.091) 0.825 9.800 ( -0.771 0.000 0.048) 0.772 10.030 ( 0.077 0.000 1.296) 1.298 10.049 ( 0.354 0.000 -0.598) 0.695 10.082 ( 0.175 0.000 0.784) 0.803 10.092 ( -0.264 0.000 -0.232) 0.352 10.530 ( -0.143 0.000 0.666) 0.681 10.540 ( -0.113 0.000 -0.387) 0.403 10.630 ( -0.144 0.000 0.749) 0.762 10.633 ( 0.108 0.000 0.527) 0.538 12.502 ( -0.163 0.000 1.548) 1.556 12.548 ( -0.406 0.000 -3.290) 3.315 12.821 ( -0.171 0.000 2.205) 2.211 12.830 ( -2.775 0.000 1.843) 3.331 13.009 ( -1.328 0.000 1.829) 2.260 13.093 ( 2.162 0.000 -7.564) 7.867 13.365 ( 0.440 0.000 10.631) 10.640 13.542 ( 1.249 0.000 -8.037) 8.134 14.207 ( 1.777 0.000 2.439) 3.018 14.224 ( 0.797 0.000 1.063) 1.329 14.255 ( 1.759 0.000 1.323) 2.201 14.257 ( -1.079 0.000 0.353) 1.135 14.298 ( -2.598 0.000 -0.382) 2.626 14.309 ( 0.787 0.000 -1.312) 1.530 14.440 ( 2.055 0.000 1.683) 2.656 14.465 ( -2.094 0.000 -1.481) 2.564 14.662 ( -2.803 0.000 6.305) 6.900 14.783 ( 3.036 0.000 -6.267) 6.964 14.814 ( -0.250 0.000 6.793) 6.797 14.974 ( 0.242 0.000 -9.522) 9.525 ======================= Grid point 66 (35/45) ======================= q-point: ( 0.25 0.00 0.43) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -4.968 0.000 11.846) 12.845 1.435 ( -4.407 0.000 5.563) 7.098 1.510 ( -4.630 0.000 14.898) 15.601 1.598 ( 0.269 0.000 11.486) 11.489 1.602 ( -3.647 0.000 -3.045) 4.751 1.699 ( 3.997 0.000 5.254) 6.601 1.730 ( 0.047 0.000 5.159) 5.159 1.799 ( -3.254 0.000 -2.338) 4.007 1.815 ( -1.060 0.000 -2.778) 2.973 1.930 ( -1.713 0.000 -1.707) 2.419 2.054 ( -1.033 0.000 1.005) 1.442 2.061 ( -0.301 0.000 -5.286) 5.294 2.078 ( 1.011 0.000 -0.322) 1.061 2.113 ( 4.857 0.000 1.758) 5.166 2.136 ( -0.233 0.000 -1.583) 1.600 2.177 ( -0.349 0.000 -4.705) 4.718 2.220 ( -0.241 0.000 -3.848) 3.856 2.345 ( 4.333 0.000 0.157) 4.336 2.364 ( 2.041 0.000 -1.204) 2.369 2.392 ( 1.982 0.000 2.784) 3.417 2.455 ( 0.639 0.000 4.416) 4.462 2.555 ( -0.089 0.000 7.877) 7.877 2.565 ( -2.877 0.000 1.057) 3.065 2.615 ( -0.742 0.000 -5.508) 5.557 2.681 ( -0.307 0.000 1.054) 1.098 2.702 ( -7.140 0.000 1.183) 7.237 2.749 ( 1.802 0.000 -1.020) 2.071 2.793 ( -4.469 0.000 -5.703) 7.245 2.855 ( -1.062 0.000 -3.286) 3.453 2.864 ( -2.794 0.000 -0.155) 2.798 2.941 ( 3.897 0.000 1.307) 4.110 2.962 ( 1.434 0.000 -4.482) 4.706 2.977 ( -0.083 0.000 -7.520) 7.521 3.013 ( -2.473 0.000 9.934) 10.238 3.027 ( 1.138 0.000 -0.623) 1.297 3.064 ( -1.022 0.000 -6.151) 6.235 3.103 ( -1.176 0.000 -0.571) 1.307 3.141 ( -1.118 0.000 3.294) 3.478 3.199 ( -0.454 0.000 1.640) 1.702 3.230 ( 2.330 0.000 3.797) 4.454 3.310 ( -2.432 0.000 -3.688) 4.418 3.316 ( 3.172 0.000 2.604) 4.105 3.401 ( 0.094 0.000 2.585) 2.587 3.438 ( -0.108 0.000 -1.035) 1.040 3.466 ( 0.771 0.000 -3.174) 3.266 3.502 ( 2.521 0.000 -4.894) 5.505 3.523 ( 0.111 0.000 2.935) 2.937 3.586 ( 8.074 0.000 7.772) 11.207 3.609 ( -1.944 0.000 -2.390) 3.081 3.698 ( 0.972 0.000 7.826) 7.886 3.747 ( 8.508 0.000 -8.168) 11.794 3.765 ( 4.356 0.000 -3.086) 5.339 3.808 ( 2.391 0.000 4.582) 5.169 3.814 ( -0.370 0.000 6.499) 6.509 3.849 ( -0.988 0.000 -1.363) 1.683 3.858 ( -4.622 0.000 -3.178) 5.609 3.947 ( -0.384 0.000 -1.274) 1.331 3.949 ( 0.461 0.000 -0.280) 0.539 4.060 ( 0.441 0.000 2.429) 2.468 4.102 ( -6.744 0.000 -1.453) 6.899 4.128 ( -0.431 0.000 -1.558) 1.616 4.234 ( -2.138 0.000 0.107) 2.141 4.238 ( -0.681 0.000 1.307) 1.474 4.309 ( 0.097 0.000 -5.798) 5.798 4.382 ( -1.918 0.000 4.041) 4.473 4.392 ( 0.025 0.000 -4.913) 4.913 4.435 ( -0.860 0.000 0.474) 0.982 4.458 ( 0.839 0.000 -1.771) 1.960 4.460 ( 0.431 0.000 -0.802) 0.911 4.471 ( -3.042 0.000 8.359) 8.895 4.547 ( -1.274 0.000 0.135) 1.282 4.589 ( -0.442 0.000 1.166) 1.247 4.617 ( -0.415 0.000 -3.168) 3.195 4.645 ( 0.536 0.000 1.172) 1.288 4.687 ( -0.497 0.000 -1.494) 1.575 4.798 ( -0.269 0.000 6.337) 6.343 4.804 ( -0.108 0.000 5.151) 5.152 4.844 ( -6.522 0.000 5.464) 8.508 4.848 ( 2.223 0.000 -0.794) 2.360 4.908 ( 3.821 0.000 -9.887) 10.600 4.920 ( -1.332 0.000 0.370) 1.382 4.999 ( -2.490 0.000 -4.382) 5.040 5.021 ( 3.125 0.000 2.131) 3.783 5.045 ( 0.951 0.000 2.969) 3.118 5.160 ( -4.275 0.000 -3.629) 5.607 5.182 ( -0.783 0.000 4.210) 4.282 5.200 ( -1.954 0.000 3.279) 3.817 5.203 ( 1.456 0.000 -0.371) 1.502 5.298 ( 2.206 0.000 -1.838) 2.871 5.298 ( 4.417 0.000 -1.126) 4.558 5.317 ( 2.348 0.000 -3.261) 4.018 5.338 ( -0.108 0.000 -0.632) 0.641 5.474 ( -3.954 0.000 1.866) 4.372 5.490 ( 6.971 0.000 2.182) 7.305 5.495 ( -2.009 0.000 -1.643) 2.595 5.547 ( 0.467 0.000 3.388) 3.420 5.659 ( 4.745 0.000 -1.293) 4.918 5.669 ( -2.914 0.000 2.211) 3.658 5.744 ( -3.384 0.000 1.460) 3.685 5.766 ( 5.027 0.000 -5.142) 7.192 5.787 ( -0.145 0.000 3.911) 3.914 5.792 ( -3.529 0.000 4.178) 5.469 5.839 ( -3.801 0.000 -0.470) 3.830 5.910 ( -2.644 0.000 -3.390) 4.299 5.932 ( -1.227 0.000 -2.847) 3.100 5.962 ( -0.644 0.000 3.908) 3.960 5.963 ( -1.417 0.000 3.746) 4.005 6.028 ( -0.863 0.000 -4.264) 4.351 6.063 ( 4.716 0.000 -0.192) 4.720 6.071 ( 3.448 0.000 -5.674) 6.639 6.140 ( 1.690 0.000 -6.776) 6.984 6.176 ( -0.222 0.000 -0.950) 0.976 6.190 ( -0.690 0.000 5.192) 5.238 6.262 ( 5.036 0.000 -0.988) 5.132 6.283 ( -0.304 0.000 -4.052) 4.063 6.332 ( 3.776 0.000 -4.005) 5.504 6.373 ( -1.149 0.000 -0.478) 1.244 6.388 ( -0.895 0.000 1.800) 2.010 6.479 ( 4.010 0.000 -1.153) 4.172 6.496 ( 2.047 0.000 -4.999) 5.402 6.652 ( -2.076 0.000 0.855) 2.245 6.670 ( -2.310 0.000 -0.236) 2.322 6.804 ( -1.181 0.000 2.850) 3.085 6.913 ( 1.289 0.000 -2.106) 2.469 6.986 ( -2.186 0.000 0.017) 2.186 6.991 ( -3.322 0.000 1.634) 3.702 7.038 ( -1.040 0.000 -3.320) 3.479 7.070 ( -6.348 0.000 -2.575) 6.850 7.104 ( 0.023 0.000 1.073) 1.073 7.146 ( 0.898 0.000 0.327) 0.956 7.251 ( 2.163 0.000 5.032) 5.478 7.262 ( 6.998 0.000 -1.968) 7.270 7.425 ( -1.111 0.000 -0.654) 1.289 7.490 ( -1.425 0.000 -0.005) 1.425 7.549 ( 0.177 0.000 -0.193) 0.262 7.598 ( -0.080 0.000 0.074) 0.109 9.686 ( -0.037 0.000 0.226) 0.229 9.701 ( 0.111 0.000 0.038) 0.118 9.783 ( -0.655 0.000 0.056) 0.657 9.803 ( -0.532 0.000 -0.002) 0.532 10.043 ( 0.731 0.000 0.648) 0.977 10.059 ( 0.635 0.000 -0.528) 0.825 10.086 ( -0.126 0.000 0.918) 0.926 10.089 ( 0.164 0.000 -0.501) 0.527 10.535 ( 0.381 0.000 0.792) 0.879 10.544 ( 0.494 0.000 -0.173) 0.523 10.628 ( -0.259 0.000 0.650) 0.700 10.634 ( -0.127 0.000 0.360) 0.382 12.578 ( 7.424 0.000 1.878) 7.658 12.605 ( 6.782 0.000 -1.903) 7.044 12.846 ( 3.848 0.000 3.464) 5.177 12.877 ( 4.621 0.000 4.982) 6.795 12.926 ( -7.835 0.000 1.664) 8.010 13.052 ( -4.090 0.000 -7.139) 8.228 13.325 ( -7.367 0.000 7.043) 10.192 13.442 ( -7.607 0.000 -8.309) 11.265 14.188 ( -2.234 0.000 1.140) 2.508 14.205 ( -1.703 0.000 -2.027) 2.647 14.244 ( -0.362 0.000 1.247) 1.298 14.294 ( 1.404 0.000 2.098) 2.525 14.324 ( 2.990 0.000 -0.457) 3.025 14.330 ( 0.671 0.000 -1.406) 1.558 14.429 ( -0.588 0.000 -0.619) 0.854 14.469 ( 0.031 0.000 0.930) 0.931 14.656 ( 0.334 0.000 6.630) 6.638 14.814 ( -1.908 0.000 6.755) 7.019 14.842 ( 4.941 0.000 -7.017) 8.582 14.928 ( -1.915 0.000 -8.640) 8.849 ======================= Grid point 67 (36/45) ======================= q-point: (-0.50 0.00 0.43) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -6.083 0.000 9.526) 11.303 1.359 ( 1.263 0.000 11.475) 11.544 1.463 ( -3.579 0.000 13.003) 13.487 1.607 ( 3.747 0.000 6.054) 7.119 1.619 ( 0.368 0.000 5.271) 5.284 1.751 ( 0.016 0.000 0.171) 0.172 1.764 ( -6.658 0.000 -6.450) 9.270 1.803 ( 5.001 0.000 1.847) 5.331 1.851 ( 2.848 0.000 3.199) 4.284 1.854 ( 5.157 0.000 3.967) 6.506 1.963 ( -4.693 0.000 -4.645) 6.603 1.968 ( -6.621 0.000 -6.428) 9.228 2.046 ( -2.660 0.000 0.650) 2.738 2.122 ( 2.809 0.000 -5.760) 6.408 2.224 ( 4.498 0.000 1.752) 4.827 2.231 ( -0.100 0.000 1.263) 1.266 2.327 ( 8.200 0.000 2.203) 8.491 2.340 ( -6.819 0.000 0.462) 6.834 2.441 ( 3.125 0.000 2.489) 3.995 2.449 ( 2.950 0.000 4.836) 5.665 2.485 ( -1.360 0.000 -0.399) 1.417 2.504 ( 3.592 0.000 -0.912) 3.706 2.544 ( -5.099 0.000 0.863) 5.172 2.585 ( 1.364 0.000 -5.581) 5.745 2.627 ( -4.909 0.000 0.989) 5.008 2.640 ( -2.460 0.000 1.821) 3.060 2.696 ( 1.035 0.000 -3.037) 3.209 2.787 ( 1.769 0.000 -3.341) 3.781 2.807 ( -0.448 0.000 -2.068) 2.116 2.824 ( -0.633 0.000 -0.667) 0.919 2.923 ( -9.028 0.000 10.831) 14.100 2.962 ( -0.361 0.000 -5.213) 5.225 2.969 ( -0.181 0.000 -2.584) 2.590 3.012 ( -1.743 0.000 -0.673) 1.869 3.030 ( -1.107 0.000 -2.655) 2.877 3.057 ( 5.181 0.000 -0.847) 5.249 3.067 ( 0.207 0.000 -2.367) 2.376 3.083 ( -3.883 0.000 -1.821) 4.289 3.209 ( 0.764 0.000 3.587) 3.668 3.243 ( -1.680 0.000 -1.095) 2.005 3.332 ( -0.862 0.000 -2.274) 2.432 3.337 ( 4.510 0.000 -1.849) 4.874 3.436 ( -1.284 0.000 5.365) 5.517 3.462 ( 1.421 0.000 6.636) 6.786 3.493 ( 3.340 0.000 3.403) 4.768 3.524 ( -3.152 0.000 -1.512) 3.496 3.547 ( 1.576 0.000 -3.475) 3.815 3.565 ( 1.416 0.000 -1.906) 2.375 3.653 ( -0.065 0.000 9.144) 9.144 3.740 ( -4.395 0.000 -1.946) 4.807 3.763 ( 1.061 0.000 0.483) 1.166 3.782 ( -2.250 0.000 1.688) 2.813 3.823 ( 0.393 0.000 -2.622) 2.651 3.847 ( 4.343 0.000 -5.004) 6.625 3.925 ( -0.043 0.000 -1.343) 1.344 3.940 ( 1.308 0.000 -4.222) 4.420 3.955 ( -4.920 0.000 3.728) 6.173 3.973 ( 8.028 0.000 10.203) 12.983 3.981 ( 8.602 0.000 -3.907) 9.448 4.094 ( -2.750 0.000 -1.565) 3.164 4.101 ( 2.439 0.000 3.469) 4.241 4.191 ( -1.892 0.000 -0.621) 1.992 4.212 ( -1.818 0.000 3.907) 4.309 4.319 ( -5.002 0.000 4.533) 6.751 4.321 ( 3.421 0.000 -5.842) 6.770 4.386 ( -0.804 0.000 -5.060) 5.123 4.395 ( -4.274 0.000 1.147) 4.426 4.424 ( 0.563 0.000 -1.743) 1.832 4.483 ( 1.837 0.000 -0.669) 1.955 4.492 ( -2.594 0.000 1.529) 3.011 4.515 ( -0.177 0.000 -0.922) 0.939 4.592 ( -1.536 0.000 -3.100) 3.460 4.632 ( 1.103 0.000 4.669) 4.798 4.662 ( 0.176 0.000 -2.695) 2.701 4.667 ( 4.426 0.000 2.290) 4.983 4.745 ( -4.249 0.000 8.932) 9.891 4.755 ( -4.192 0.000 -4.424) 6.094 4.767 ( -3.204 0.000 7.037) 7.732 4.855 ( -0.318 0.000 -4.058) 4.071 4.906 ( -1.154 0.000 -1.692) 2.048 4.961 ( 1.596 0.000 -3.986) 4.293 5.000 ( 4.029 0.000 -9.766) 10.565 5.046 ( 1.527 0.000 4.962) 5.191 5.076 ( 0.297 0.000 1.802) 1.826 5.149 ( 2.875 0.000 2.869) 4.062 5.188 ( -2.163 0.000 0.987) 2.378 5.199 ( 1.154 0.000 1.571) 1.949 5.214 ( 0.878 0.000 -0.258) 0.915 5.300 ( -1.315 0.000 -1.883) 2.297 5.333 ( 1.240 0.000 -2.857) 3.115 5.357 ( -3.016 0.000 0.977) 3.170 5.376 ( -0.142 0.000 2.300) 2.305 5.424 ( -2.932 0.000 -2.030) 3.566 5.431 ( 7.280 0.000 -3.216) 7.958 5.575 ( -1.092 0.000 -0.259) 1.123 5.586 ( 1.653 0.000 1.297) 2.101 5.668 ( 1.687 0.000 7.264) 7.457 5.700 ( -7.234 0.000 3.874) 8.206 5.707 ( -0.893 0.000 6.346) 6.408 5.727 ( -1.355 0.000 1.285) 1.867 5.773 ( 5.426 0.000 -1.053) 5.528 5.823 ( 1.650 0.000 -0.616) 1.762 5.834 ( -4.712 0.000 -1.538) 4.956 5.866 ( 4.001 0.000 -5.208) 6.567 5.901 ( -0.912 0.000 1.029) 1.375 5.917 ( -3.060 0.000 0.736) 3.148 5.952 ( -0.931 0.000 0.819) 1.240 6.062 ( 4.272 0.000 -6.537) 7.809 6.077 ( -2.184 0.000 -3.311) 3.966 6.080 ( -0.278 0.000 -2.539) 2.555 6.158 ( 1.469 0.000 0.175) 1.479 6.203 ( 2.246 0.000 0.325) 2.269 6.207 ( -0.010 0.000 1.513) 1.513 6.237 ( -1.236 0.000 -4.659) 4.820 6.321 ( -1.542 0.000 1.627) 2.242 6.343 ( -1.130 0.000 -2.421) 2.672 6.378 ( 0.895 0.000 -1.237) 1.527 6.385 ( 2.196 0.000 -2.777) 3.540 6.515 ( -1.305 0.000 -0.871) 1.569 6.515 ( 0.320 0.000 -2.294) 2.316 6.630 ( 0.379 0.000 0.141) 0.404 6.640 ( 0.652 0.000 -1.320) 1.472 6.825 ( 2.260 0.000 3.290) 3.991 6.883 ( -3.136 0.000 -0.858) 3.251 6.949 ( -0.634 0.000 1.534) 1.660 6.970 ( 0.576 0.000 -0.549) 0.796 6.996 ( 0.091 0.000 -2.157) 2.159 7.023 ( 0.807 0.000 -3.363) 3.459 7.130 ( 0.950 0.000 1.459) 1.741 7.146 ( -0.946 0.000 -0.191) 0.965 7.271 ( -1.989 0.000 5.312) 5.672 7.373 ( 5.200 0.000 -3.744) 6.407 7.426 ( 1.163 0.000 -0.734) 1.375 7.435 ( -2.485 0.000 -0.987) 2.674 7.575 ( -1.894 0.000 -0.069) 1.896 7.581 ( 2.071 0.000 -0.181) 2.079 9.693 ( 0.596 0.000 0.175) 0.621 9.697 ( -0.379 0.000 -0.217) 0.437 9.785 ( 0.659 0.000 0.261) 0.709 9.788 ( -0.827 0.000 -0.015) 0.827 10.053 ( -0.086 0.000 0.683) 0.688 10.060 ( -0.340 0.000 -0.095) 0.353 10.081 ( -0.624 0.000 0.947) 1.134 10.095 ( 0.442 0.000 -0.483) 0.654 10.542 ( -0.085 0.000 0.706) 0.711 10.551 ( 0.233 0.000 -0.225) 0.324 10.627 ( -0.103 0.000 0.777) 0.784 10.631 ( -0.274 0.000 0.357) 0.451 12.724 ( -1.929 0.000 0.138) 1.934 12.742 ( 5.536 0.000 -0.861) 5.603 12.782 ( 1.152 0.000 3.310) 3.505 12.866 ( -4.868 0.000 -5.408) 7.276 12.975 ( 1.214 0.000 5.777) 5.903 13.037 ( 7.278 0.000 -0.081) 7.279 13.201 ( -4.005 0.000 4.532) 6.048 13.281 ( -4.362 0.000 -5.073) 6.691 14.156 ( -1.547 0.000 1.840) 2.404 14.183 ( 0.057 0.000 -1.242) 1.243 14.263 ( 1.539 0.000 2.464) 2.905 14.290 ( -2.375 0.000 -0.778) 2.499 14.315 ( -0.312 0.000 2.404) 2.424 14.377 ( 0.576 0.000 -3.459) 3.507 14.434 ( 1.646 0.000 1.534) 2.250 14.453 ( -1.382 0.000 -0.145) 1.389 14.698 ( 0.944 0.000 7.834) 7.891 14.789 ( -2.366 0.000 5.508) 5.994 14.848 ( -2.603 0.000 -7.955) 8.370 14.922 ( 4.687 0.000 -7.857) 9.149 ======================= Grid point 68 (37/45) ======================= q-point: (-0.25 0.00 0.43) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -1.679 0.000 17.027) 17.110 1.420 ( 1.382 0.000 4.763) 4.960 1.488 ( -0.385 0.000 21.904) 21.907 1.605 ( -2.290 0.000 -3.145) 3.891 1.678 ( 0.194 0.000 -0.135) 0.237 1.712 ( 4.943 0.000 1.656) 5.213 1.772 ( 2.888 0.000 -5.983) 6.643 1.865 ( -3.970 0.000 -7.291) 8.302 1.880 ( 0.487 0.000 -3.880) 3.910 1.938 ( 1.885 0.000 5.987) 6.277 1.947 ( 3.951 0.000 7.004) 8.042 1.963 ( 3.017 0.000 8.176) 8.715 1.997 ( 2.454 0.000 -2.717) 3.662 2.146 ( -1.827 0.000 -6.034) 6.304 2.172 ( -1.959 0.000 -2.561) 3.224 2.233 ( -0.734 0.000 -1.032) 1.267 2.260 ( -4.602 0.000 -5.579) 7.232 2.352 ( -5.599 0.000 -1.247) 5.737 2.364 ( -2.458 0.000 -1.575) 2.919 2.423 ( -1.429 0.000 1.060) 1.779 2.483 ( -1.712 0.000 10.224) 10.366 2.516 ( -2.975 0.000 5.452) 6.211 2.553 ( 2.524 0.000 -5.847) 6.368 2.621 ( 1.480 0.000 3.686) 3.972 2.652 ( 2.712 0.000 3.657) 4.553 2.698 ( 6.320 0.000 1.847) 6.584 2.751 ( 2.815 0.000 -3.759) 4.696 2.796 ( -4.712 0.000 13.568) 14.363 2.813 ( 4.025 0.000 -9.900) 10.687 2.828 ( 2.057 0.000 1.604) 2.608 2.876 ( 5.550 0.000 0.704) 5.595 2.899 ( -2.833 0.000 0.183) 2.839 2.977 ( 0.290 0.000 -2.265) 2.283 2.981 ( -1.567 0.000 1.077) 1.902 2.990 ( 0.238 0.000 -0.736) 0.773 3.053 ( 0.968 0.000 -0.312) 1.017 3.061 ( 0.209 0.000 0.913) 0.937 3.139 ( -0.764 0.000 1.016) 1.271 3.207 ( -0.451 0.000 -1.128) 1.215 3.243 ( 1.989 0.000 0.846) 2.162 3.311 ( -0.023 0.000 -3.129) 3.129 3.386 ( -5.447 0.000 4.099) 6.817 3.393 ( 0.255 0.000 1.512) 1.534 3.406 ( -0.510 0.000 -4.022) 4.054 3.501 ( -1.514 0.000 0.788) 1.707 3.526 ( 0.242 0.000 -5.457) 5.462 3.581 ( 0.593 0.000 -0.655) 0.883 3.590 ( -0.180 0.000 -3.048) 3.054 3.649 ( -3.764 0.000 3.518) 5.153 3.698 ( -6.437 0.000 -2.985) 7.095 3.735 ( 4.523 0.000 4.765) 6.570 3.758 ( -4.163 0.000 -2.730) 4.978 3.792 ( 0.133 0.000 2.585) 2.588 3.866 ( -2.721 0.000 -5.800) 6.407 3.868 ( -1.513 0.000 -0.808) 1.715 3.907 ( 0.102 0.000 -0.878) 0.884 3.957 ( 1.683 0.000 -0.948) 1.932 4.023 ( -0.462 0.000 -4.097) 4.123 4.084 ( -0.334 0.000 2.716) 2.737 4.109 ( -0.196 0.000 -4.261) 4.265 4.160 ( 3.925 0.000 -6.702) 7.766 4.186 ( -1.012 0.000 7.664) 7.731 4.230 ( 2.804 0.000 2.312) 3.635 4.298 ( -1.081 0.000 -5.484) 5.590 4.315 ( 2.653 0.000 3.871) 4.693 4.365 ( 2.886 0.000 8.193) 8.686 4.416 ( -2.914 0.000 3.855) 4.832 4.418 ( 1.074 0.000 1.623) 1.947 4.454 ( 3.841 0.000 -3.614) 5.273 4.510 ( 0.819 0.000 0.868) 1.193 4.525 ( 0.829 0.000 2.290) 2.436 4.573 ( 1.624 0.000 -2.032) 2.602 4.637 ( -1.634 0.000 6.042) 6.259 4.646 ( -0.976 0.000 -2.526) 2.708 4.700 ( -0.167 0.000 4.020) 4.024 4.700 ( -0.774 0.000 -3.783) 3.862 4.743 ( -3.320 0.000 8.632) 9.248 4.837 ( -2.210 0.000 -1.788) 2.843 4.850 ( 8.997 0.000 2.527) 9.345 4.896 ( 3.017 0.000 -0.992) 3.176 4.949 ( 0.088 0.000 -2.234) 2.236 5.011 ( -0.905 0.000 -1.647) 1.879 5.081 ( -1.869 0.000 0.848) 2.052 5.085 ( -2.583 0.000 1.585) 3.030 5.146 ( -1.327 0.000 -0.211) 1.344 5.163 ( -1.069 0.000 -2.774) 2.973 5.213 ( 2.573 0.000 -2.800) 3.802 5.254 ( 3.097 0.000 1.834) 3.599 5.257 ( -2.750 0.000 -0.513) 2.798 5.318 ( -0.275 0.000 -1.104) 1.138 5.337 ( 2.223 0.000 -5.437) 5.874 5.357 ( -2.884 0.000 -0.759) 2.982 5.444 ( 4.821 0.000 0.178) 4.824 5.471 ( -3.901 0.000 1.428) 4.154 5.546 ( -6.837 0.000 -1.254) 6.951 5.565 ( -3.224 0.000 1.826) 3.705 5.634 ( 0.544 0.000 3.049) 3.098 5.645 ( -0.153 0.000 3.197) 3.200 5.741 ( -0.940 0.000 -3.295) 3.427 5.753 ( 4.029 0.000 6.136) 7.341 5.790 ( 0.374 0.000 2.829) 2.853 5.838 ( -1.493 0.000 1.737) 2.291 5.846 ( 3.435 0.000 1.235) 3.651 5.883 ( 1.010 0.000 -4.221) 4.340 5.917 ( 0.936 0.000 -1.545) 1.806 5.929 ( 3.897 0.000 -1.603) 4.213 5.941 ( 0.389 0.000 2.532) 2.562 6.023 ( -2.903 0.000 1.452) 3.246 6.067 ( -0.866 0.000 -0.746) 1.143 6.101 ( 2.262 0.000 -8.349) 8.649 6.167 ( -1.968 0.000 -6.947) 7.220 6.175 ( -3.801 0.000 -0.112) 3.803 6.186 ( 1.133 0.000 3.243) 3.436 6.257 ( 1.013 0.000 -0.043) 1.014 6.271 ( -2.656 0.000 2.222) 3.463 6.309 ( -1.373 0.000 -4.681) 4.878 6.393 ( 1.073 0.000 -3.207) 3.381 6.399 ( 0.288 0.000 -0.511) 0.587 6.454 ( -3.621 0.000 0.195) 3.626 6.491 ( -1.201 0.000 -2.410) 2.693 6.663 ( 1.946 0.000 0.500) 2.009 6.672 ( 2.236 0.000 -1.213) 2.544 6.857 ( -0.688 0.000 2.933) 3.013 6.860 ( 0.840 0.000 -2.085) 2.248 6.978 ( 3.141 0.000 0.709) 3.220 7.012 ( 3.523 0.000 0.526) 3.562 7.015 ( 2.384 0.000 -2.049) 3.144 7.053 ( 2.868 0.000 -1.572) 3.270 7.118 ( -1.218 0.000 -0.348) 1.266 7.137 ( -0.691 0.000 1.414) 1.574 7.213 ( -4.868 0.000 2.582) 5.511 7.372 ( -3.169 0.000 -7.183) 7.851 7.420 ( 1.053 0.000 -0.199) 1.072 7.475 ( 2.618 0.000 1.428) 2.982 7.550 ( -0.408 0.000 -0.249) 0.478 7.605 ( 0.373 0.000 -0.520) 0.640 9.691 ( -0.020 0.000 -0.330) 0.331 9.700 ( -0.048 0.000 0.064) 0.080 9.783 ( 0.514 0.000 0.098) 0.523 9.800 ( 0.670 0.000 0.214) 0.703 10.040 ( -1.368 0.000 1.410) 1.964 10.052 ( -0.414 0.000 -0.155) 0.442 10.077 ( 0.018 0.000 0.716) 0.717 10.097 ( -0.119 0.000 -0.221) 0.251 10.536 ( -0.601 0.000 0.584) 0.838 10.548 ( -0.411 0.000 -0.463) 0.618 10.629 ( 0.010 0.000 0.874) 0.874 10.629 ( 0.001 0.000 0.547) 0.547 12.573 ( -7.512 0.000 1.136) 7.597 12.643 ( -7.771 0.000 -5.060) 9.273 12.862 ( -2.729 0.000 1.006) 2.909 12.884 ( -0.580 0.000 2.432) 2.501 12.970 ( 3.119 0.000 2.462) 3.974 13.059 ( 1.675 0.000 -10.182) 10.319 13.270 ( 5.307 0.000 9.835) 11.176 13.408 ( 13.113 0.000 -1.322) 13.179 14.152 ( 0.754 0.000 3.478) 3.559 14.196 ( 1.312 0.000 0.156) 1.321 14.255 ( -1.068 0.000 0.012) 1.068 14.287 ( -1.589 0.000 2.720) 3.150 14.312 ( 0.986 0.000 0.828) 1.287 14.339 ( -2.513 0.000 -1.776) 3.077 14.427 ( -1.162 0.000 0.118) 1.167 14.477 ( 1.484 0.000 -0.554) 1.584 14.702 ( -3.087 0.000 7.574) 8.179 14.785 ( -1.163 0.000 -6.762) 6.861 14.789 ( 0.526 0.000 5.566) 5.591 14.971 ( 3.065 0.000 -9.217) 9.713 ======================= Grid point 69 (38/45) ======================= q-point: ( 0.00 0.25 0.43) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -2.316 -1.765 6.305) 6.945 1.468 ( -0.436 -0.998 7.156) 7.238 1.477 ( 4.185 3.235 10.888) 12.105 1.586 ( -5.440 2.004 13.569) 14.756 1.662 ( 1.218 -0.207 4.102) 4.284 1.702 ( -5.111 0.716 -4.754) 7.017 1.758 ( -0.317 -5.337 1.969) 5.697 1.779 ( -3.086 -0.239 -0.933) 3.233 1.858 ( -0.294 -3.851 3.787) 5.409 1.920 ( 1.969 -1.527 -1.501) 2.909 1.939 ( -2.193 -1.300 -2.782) 3.773 2.030 ( 1.658 1.110 -2.425) 3.140 2.101 ( 1.677 -0.803 -2.675) 3.257 2.153 ( 0.173 1.085 -1.119) 1.568 2.180 ( 2.231 5.658 5.231) 8.023 2.224 ( -1.374 3.109 0.317) 3.414 2.272 ( 3.364 2.919 -0.903) 4.544 2.301 ( 0.082 -0.419 1.396) 1.460 2.346 ( -2.300 1.300 -3.610) 4.473 2.377 ( -1.182 1.148 -1.931) 2.538 2.467 ( -1.204 -0.542 3.191) 3.453 2.509 ( 0.759 -1.962 1.263) 2.454 2.548 ( 0.848 -3.792 1.479) 4.158 2.637 ( 1.206 -2.765 -2.927) 4.203 2.671 ( 1.380 0.702 -0.001) 1.548 2.700 ( 1.978 -4.423 -2.892) 5.643 2.755 ( -0.549 -0.148 2.503) 2.567 2.803 ( -0.781 -2.844 0.311) 2.966 2.826 ( -1.766 -1.214 0.597) 2.225 2.856 ( -1.499 -0.768 2.450) 2.973 2.881 ( -1.225 -6.297 -2.696) 6.959 2.924 ( 2.219 2.616 2.558) 4.279 2.929 ( -0.764 -0.421 0.156) 0.886 2.943 ( 3.376 2.153 3.442) 5.280 2.999 ( 0.068 -2.731 1.052) 2.927 3.074 ( 3.033 -0.144 -3.543) 4.666 3.107 ( 0.586 1.189 -2.070) 2.458 3.131 ( -0.359 1.318 -0.120) 1.372 3.224 ( -1.088 -2.888 -2.273) 3.833 3.236 ( -1.688 -2.505 -2.904) 4.191 3.330 ( -3.582 2.336 0.635) 4.323 3.344 ( 2.134 1.417 1.897) 3.188 3.389 ( 1.510 -2.019 -2.780) 3.753 3.425 ( 3.322 -0.444 -3.779) 5.051 3.446 ( 4.559 4.070 6.657) 9.037 3.549 ( -1.928 4.059 -0.578) 4.531 3.607 ( -1.927 3.227 1.526) 4.057 3.633 ( 1.114 1.928 1.554) 2.715 3.639 ( -0.283 5.841 0.612) 5.880 3.684 ( -0.004 2.506 1.163) 2.762 3.708 ( -0.191 3.158 -4.398) 5.417 3.776 ( -2.571 -0.180 0.632) 2.654 3.785 ( -0.619 0.905 -0.906) 1.422 3.830 ( -0.602 -0.807 3.489) 3.631 3.877 ( -1.812 3.590 -5.229) 6.597 3.919 ( -0.761 -0.695 -0.471) 1.133 3.962 ( -3.368 0.631 -1.195) 3.629 3.987 ( -0.537 1.479 -1.889) 2.459 4.095 ( 0.797 -0.740 2.350) 2.589 4.139 ( 0.842 1.522 -1.078) 2.047 4.158 ( -1.097 1.895 4.549) 5.049 4.227 ( -0.002 -2.026 0.450) 2.075 4.248 ( -0.181 -0.950 -1.730) 1.982 4.272 ( 1.534 -1.557 -4.609) 5.101 4.350 ( 0.467 0.165 1.588) 1.663 4.387 ( 0.642 -2.531 -0.694) 2.701 4.418 ( 1.089 -0.768 4.794) 4.975 4.458 ( -3.888 -0.283 0.718) 3.964 4.472 ( 2.093 0.700 2.832) 3.590 4.515 ( -0.477 1.005 -1.387) 1.778 4.523 ( -1.107 -2.106 1.910) 3.051 4.562 ( 2.079 -2.216 -0.361) 3.060 4.625 ( -2.091 -1.776 1.480) 3.117 4.671 ( 0.360 0.227 -1.119) 1.197 4.690 ( 0.507 1.070 3.359) 3.561 4.735 ( -2.367 3.019 3.497) 5.191 4.781 ( 1.514 1.168 2.486) 3.136 4.819 ( 2.156 -0.669 -1.178) 2.546 4.839 ( -2.193 -3.161 1.670) 4.194 4.880 ( -1.278 -2.798 1.812) 3.570 4.914 ( 1.907 -4.518 -2.841) 5.667 4.969 ( 2.285 -1.759 -3.458) 4.502 5.050 ( 0.390 2.907 2.066) 3.587 5.076 ( -0.584 1.367 -0.157) 1.495 5.142 ( -0.032 0.295 -1.665) 1.691 5.170 ( -0.706 -0.348 -4.297) 4.369 5.221 ( 2.032 0.437 5.644) 6.014 5.272 ( 0.578 0.433 -0.612) 0.946 5.300 ( -2.579 0.427 -0.856) 2.751 5.312 ( 1.224 2.547 -2.336) 3.666 5.348 ( -1.927 -0.422 3.546) 4.058 5.387 ( -2.799 2.604 2.788) 4.731 5.398 ( -3.195 0.403 -1.704) 3.643 5.469 ( 6.005 0.264 -3.330) 6.872 5.496 ( 0.668 -2.295 1.307) 2.724 5.517 ( -0.001 -0.234 3.053) 3.062 5.594 ( -1.592 -1.941 -3.690) 4.463 5.639 ( 3.642 -1.744 -7.334) 8.372 5.701 ( -3.479 -2.917 3.419) 5.684 5.721 ( 1.351 -4.801 6.286) 8.024 5.756 ( 3.318 -2.779 -0.454) 4.352 5.797 ( -4.992 1.060 2.236) 5.572 5.879 ( -1.313 -1.023 -1.866) 2.500 5.894 ( -0.117 -0.999 0.762) 1.261 5.914 ( 1.562 -3.380 -0.105) 3.725 5.947 ( 1.164 -1.946 -1.839) 2.920 5.966 ( 2.105 0.449 -2.079) 2.992 6.024 ( -1.301 0.369 0.839) 1.591 6.048 ( 0.623 1.724 -1.594) 2.429 6.074 ( 0.379 0.084 -4.766) 4.781 6.179 ( 1.679 2.151 1.504) 3.116 6.214 ( -0.006 4.153 -3.271) 5.286 6.228 ( -2.510 1.545 1.138) 3.159 6.270 ( 0.306 3.091 1.127) 3.304 6.302 ( 2.267 1.763 0.199) 2.879 6.316 ( -0.357 2.224 -5.160) 5.630 6.376 ( 0.787 -0.709 -0.435) 1.145 6.409 ( 0.788 0.975 -3.309) 3.539 6.429 ( -1.440 0.292 0.716) 1.634 6.478 ( 0.954 0.029 -4.778) 4.872 6.669 ( -0.562 -1.143 0.502) 1.369 6.684 ( 0.181 -1.041 -0.774) 1.310 6.853 ( -2.320 1.931 1.747) 3.488 6.897 ( 1.860 0.966 -2.666) 3.391 7.010 ( 1.620 -1.518 0.752) 2.344 7.020 ( -2.668 -1.800 0.452) 3.250 7.080 ( 2.410 1.180 -0.440) 2.720 7.084 ( -0.250 1.828 -0.944) 2.072 7.130 ( 0.743 0.494 1.607) 1.838 7.144 ( 0.669 0.953 0.166) 1.176 7.206 ( 1.967 1.257 1.639) 2.852 7.247 ( -4.457 -0.543 -2.525) 5.151 7.448 ( 1.283 -0.950 0.486) 1.669 7.457 ( -1.618 -0.999 -0.323) 1.929 7.573 ( 0.793 0.075 0.408) 0.895 7.588 ( -1.199 -0.055 -1.094) 1.624 9.693 ( -0.453 0.052 0.111) 0.469 9.694 ( 0.255 -0.010 -0.072) 0.265 9.800 ( 0.584 0.017 0.092) 0.592 9.800 ( -0.509 0.004 0.061) 0.513 10.033 ( 0.123 0.267 0.991) 1.034 10.046 ( 0.316 -0.242 -0.362) 0.538 10.085 ( 0.179 0.270 0.651) 0.727 10.092 ( -0.149 -0.011 -0.053) 0.159 10.530 ( -0.152 0.032 0.480) 0.504 10.537 ( -0.131 -0.237 -0.274) 0.385 10.629 ( -0.103 -0.062 0.699) 0.709 10.631 ( 0.077 -0.125 0.542) 0.561 12.509 ( -0.135 0.673 0.817) 1.067 12.542 ( -0.276 -0.580 -2.561) 2.640 12.809 ( -1.048 -0.826 2.094) 2.483 12.820 ( -1.996 -1.028 1.182) 2.537 13.027 ( -0.584 1.747 1.196) 2.196 13.093 ( 1.368 -0.311 -6.027) 6.189 13.337 ( 0.542 -1.765 8.473) 8.672 13.436 ( 1.731 -7.146 -1.439) 7.492 14.151 ( -0.155 -2.538 2.636) 3.662 14.184 ( 0.731 -3.444 -0.522) 3.559 14.220 ( -0.746 -0.675 2.694) 2.876 14.245 ( -0.263 -1.203 -0.342) 1.278 14.359 ( -0.614 3.778 2.074) 4.353 14.401 ( 0.085 3.144 -0.863) 3.262 14.486 ( 1.651 3.894 -1.738) 4.572 14.499 ( -0.483 2.343 -1.264) 2.706 14.697 ( -1.702 3.063 3.868) 5.219 14.784 ( 2.286 0.190 -4.990) 5.492 14.826 ( -0.187 1.212 3.907) 4.095 14.951 ( 0.123 -2.214 -8.683) 8.961 ======================= Grid point 70 (39/45) ======================= q-point: ( 0.25 0.25 0.43) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -1.637 1.859 9.026) 9.359 1.488 ( -2.880 1.385 3.221) 4.537 1.536 ( 0.601 1.299 11.407) 11.496 1.604 ( 0.478 0.681 8.312) 8.353 1.613 ( -2.494 3.649 4.430) 6.258 1.695 ( 0.171 1.978 0.964) 2.207 1.718 ( -0.191 -1.799 1.898) 2.622 1.766 ( -0.015 -3.388 4.539) 5.664 1.815 ( -1.849 0.586 2.841) 3.440 1.906 ( -1.719 -4.567 0.966) 4.974 1.949 ( 0.655 -4.720 0.833) 4.837 2.008 ( -3.027 0.561 -6.754) 7.422 2.074 ( -2.942 -3.376 -1.106) 4.613 2.144 ( -1.543 -1.010 -3.991) 4.396 2.171 ( -0.958 1.959 -2.249) 3.133 2.189 ( -1.832 0.853 -0.201) 2.031 2.303 ( -0.172 7.356 1.147) 7.447 2.337 ( 2.473 -0.741 0.008) 2.582 2.360 ( 3.353 1.732 -0.888) 3.877 2.378 ( 1.980 -1.561 -0.272) 2.536 2.475 ( 1.633 -0.879 0.783) 2.013 2.530 ( -0.345 -0.510 3.606) 3.658 2.554 ( -0.937 -2.827 -0.155) 2.982 2.623 ( 0.097 1.409 -1.083) 1.780 2.658 ( -5.171 -3.201 0.042) 6.082 2.676 ( -1.692 -3.138 0.977) 3.696 2.744 ( -2.546 2.277 0.944) 3.544 2.776 ( 1.046 -3.573 -7.526) 8.396 2.783 ( -2.315 -1.907 -0.957) 3.148 2.798 ( -3.983 -2.364 0.208) 4.636 2.874 ( 1.446 -5.120 -1.845) 5.631 2.909 ( 1.060 -1.472 1.441) 2.316 2.972 ( 0.791 -1.784 -3.488) 3.997 3.002 ( 2.276 0.538 -6.595) 6.997 3.047 ( 2.728 0.884 4.407) 5.258 3.075 ( -1.469 -0.864 -0.321) 1.734 3.108 ( 0.764 2.542 0.701) 2.746 3.212 ( 4.154 -0.549 1.565) 4.472 3.230 ( 3.395 -3.450 -0.002) 4.841 3.250 ( 1.037 4.197 -0.239) 4.330 3.305 ( 0.974 0.785 -0.712) 1.439 3.358 ( -0.807 2.318 -1.945) 3.132 3.405 ( -1.991 2.082 -1.499) 3.247 3.426 ( 2.015 0.663 -0.615) 2.209 3.514 ( -4.046 7.085 1.672) 8.328 3.551 ( 5.949 3.628 -3.216) 7.674 3.601 ( -1.315 5.159 2.537) 5.897 3.641 ( 7.441 2.496 3.499) 8.593 3.642 ( -2.994 2.252 1.943) 4.220 3.713 ( 0.025 1.143 5.499) 5.616 3.734 ( -0.392 -1.395 -0.342) 1.488 3.753 ( 0.218 -0.033 -3.372) 3.379 3.794 ( 3.094 -0.326 2.785) 4.176 3.832 ( 0.099 -0.083 -2.579) 2.582 3.861 ( -1.529 0.848 -0.196) 1.760 3.885 ( 3.308 2.522 5.560) 6.943 3.935 ( -1.848 -0.151 -0.659) 1.967 3.972 ( -0.741 0.210 1.396) 1.594 4.039 ( -4.078 -2.215 1.040) 4.755 4.127 ( -2.181 2.161 1.707) 3.512 4.157 ( -3.115 2.181 -1.559) 4.110 4.229 ( 0.367 -1.587 -0.165) 1.637 4.242 ( -0.314 -0.642 -0.222) 0.748 4.274 ( 1.295 -2.225 -3.320) 4.201 4.316 ( -2.580 -1.463 2.348) 3.783 4.367 ( -1.285 -1.203 -1.417) 2.260 4.423 ( -0.794 -1.025 0.714) 1.481 4.443 ( 1.129 -0.519 1.493) 1.943 4.475 ( 0.429 0.361 1.269) 1.387 4.515 ( 1.625 -0.699 -0.253) 1.787 4.552 ( -0.706 2.617 1.723) 3.212 4.588 ( -0.883 -0.824 2.729) 2.985 4.608 ( -1.625 1.414 -0.068) 2.155 4.646 ( 1.940 -2.185 -0.892) 3.055 4.706 ( -0.717 0.859 -0.785) 1.367 4.749 ( -1.353 -3.062 4.296) 5.446 4.768 ( 0.074 -2.185 2.266) 3.149 4.813 ( -3.849 -1.868 2.922) 5.181 4.851 ( 4.293 0.149 0.102) 4.296 4.911 ( 5.370 0.501 -5.181) 7.479 4.974 ( 2.025 -1.071 0.032) 2.291 4.989 ( 0.719 1.531 -3.806) 4.165 5.041 ( -2.291 2.496 -1.043) 3.545 5.072 ( 0.504 1.306 3.541) 3.808 5.149 ( -2.355 -0.195 -4.589) 5.162 5.154 ( -3.667 -0.321 -0.756) 3.758 5.182 ( -4.960 0.252 1.621) 5.224 5.220 ( 2.907 -0.337 -0.201) 2.933 5.248 ( -0.056 -0.074 2.006) 2.008 5.303 ( 0.110 -0.485 -3.530) 3.565 5.345 ( 0.215 1.833 -1.129) 2.164 5.376 ( 2.409 1.373 -2.114) 3.487 5.440 ( -2.968 -2.641 2.122) 4.504 5.470 ( 0.167 -3.272 2.799) 4.309 5.510 ( -1.175 -0.179 -1.985) 2.314 5.563 ( 3.415 1.774 4.375) 5.826 5.605 ( -2.251 -3.151 0.780) 3.950 5.613 ( 3.653 -5.571 -1.042) 6.743 5.670 ( -4.782 -3.927 -0.930) 6.257 5.745 ( -0.778 -1.780 3.133) 3.687 5.762 ( 4.696 -0.480 -0.850) 4.796 5.798 ( -1.378 0.551 0.815) 1.693 5.847 ( -0.787 0.938 1.204) 1.717 5.866 ( -1.884 -1.449 -1.275) 2.697 5.927 ( -0.348 -3.072 3.676) 4.803 5.977 ( 0.241 -1.212 -2.595) 2.874 5.980 ( 2.542 2.520 -4.967) 6.122 6.025 ( 2.730 -0.937 -3.889) 4.843 6.061 ( -0.128 2.604 -2.213) 3.420 6.106 ( 2.510 1.265 -0.210) 2.819 6.178 ( -0.332 2.720 -2.528) 3.728 6.204 ( 0.343 2.505 -0.738) 2.634 6.224 ( 0.371 2.601 3.623) 4.476 6.274 ( -1.348 0.297 -3.298) 3.575 6.312 ( -1.080 -1.351 0.533) 1.810 6.346 ( 4.509 0.741 -2.458) 5.189 6.369 ( -0.078 4.511 -1.546) 4.769 6.421 ( 2.362 0.832 0.972) 2.687 6.466 ( 2.983 -0.723 -2.748) 4.120 6.494 ( 2.325 0.058 -4.880) 5.406 6.641 ( -2.128 -1.166 0.258) 2.440 6.658 ( -2.491 -1.038 -0.450) 2.736 6.813 ( -1.937 1.206 2.326) 3.258 6.907 ( -0.656 -1.390 -1.897) 2.442 6.974 ( -0.555 0.413 -0.030) 0.692 7.017 ( -1.573 1.432 1.461) 2.581 7.059 ( -1.841 2.249 -1.538) 3.289 7.079 ( -3.499 1.356 -1.243) 3.953 7.123 ( -0.504 1.370 0.355) 1.502 7.184 ( -0.336 1.462 -0.719) 1.664 7.203 ( 3.957 -2.757 1.191) 4.968 7.255 ( 2.159 -1.449 2.001) 3.281 7.425 ( -0.253 0.374 -0.269) 0.526 7.481 ( -0.063 -0.946 0.454) 1.051 7.555 ( -0.111 0.517 -0.455) 0.697 7.586 ( -0.470 -0.915 0.351) 1.087 9.689 ( 0.057 0.284 0.213) 0.359 9.700 ( 0.196 -0.099 0.079) 0.233 9.785 ( -0.777 0.176 0.010) 0.797 9.799 ( -0.657 -0.329 -0.030) 0.736 10.045 ( 0.727 0.210 0.456) 0.884 10.058 ( 0.708 -0.182 -0.253) 0.773 10.087 ( -0.230 0.126 0.440) 0.513 10.090 ( 0.005 0.046 -0.319) 0.323 10.535 ( 0.411 0.000 0.650) 0.768 10.541 ( 0.493 -0.214 -0.041) 0.539 10.628 ( -0.222 -0.001 0.586) 0.626 10.632 ( -0.127 -0.154 0.380) 0.429 12.586 ( 7.589 0.658 1.077) 7.693 12.606 ( 7.269 -0.006 -1.477) 7.418 12.834 ( 3.095 -0.841 3.321) 4.617 12.855 ( 3.940 -1.783 4.316) 6.110 12.955 ( -6.826 2.379 1.289) 7.343 13.038 ( -5.219 -1.171 -5.472) 7.652 13.300 ( -6.538 -1.623 4.809) 8.277 13.378 ( -6.049 -4.862 -4.495) 8.969 14.147 ( -0.845 -2.366 2.075) 3.258 14.174 ( -1.054 -2.440 -0.907) 2.809 14.221 ( -0.141 -0.861 2.152) 2.322 14.246 ( 0.296 -2.073 0.918) 2.287 14.371 ( 0.796 2.864 1.324) 3.254 14.399 ( 0.298 3.299 0.128) 3.314 14.485 ( -0.400 3.390 -2.347) 4.142 14.504 ( 0.322 2.348 -1.094) 2.610 14.700 ( 0.770 3.893 3.814) 5.504 14.820 ( -1.233 0.876 3.622) 3.925 14.835 ( 3.987 -0.975 -5.030) 6.493 14.910 ( -1.700 -1.762 -7.423) 7.816 ======================= Grid point 71 (40/45) ======================= q-point: (-0.50 0.25 0.43) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 0.745 4.901 12.053) 13.033 1.440 ( -2.693 7.191 8.902) 11.756 1.512 ( -5.764 4.696 8.268) 11.119 1.592 ( 0.885 -0.476 5.706) 5.794 1.611 ( -0.824 -1.699 0.363) 1.923 1.714 ( 0.217 -1.031 0.332) 1.104 1.785 ( 3.745 -1.658 2.119) 4.611 1.807 ( -0.773 -1.092 -1.908) 2.330 1.822 ( 2.319 -1.157 9.804) 10.141 1.877 ( 3.479 2.505 -2.987) 5.225 1.927 ( -5.805 -1.724 -0.656) 6.091 1.932 ( -0.825 -0.822 -3.208) 3.413 2.034 ( 1.878 -3.449 1.726) 4.290 2.105 ( 0.555 -1.663 -4.977) 5.277 2.156 ( -2.306 -4.868 -2.370) 5.884 2.181 ( -0.308 -5.419 -2.078) 5.812 2.322 ( 0.286 -1.928 4.392) 4.805 2.351 ( 0.242 0.459 1.298) 1.398 2.411 ( 2.455 -1.824 4.427) 5.381 2.446 ( -6.184 -1.666 1.297) 6.535 2.455 ( 4.760 0.540 0.739) 4.848 2.507 ( -0.296 -1.032 -1.899) 2.182 2.557 ( 0.708 2.832 -0.981) 3.080 2.583 ( -1.839 3.320 -4.256) 5.703 2.633 ( -0.670 2.505 2.861) 3.861 2.685 ( -0.752 0.211 3.837) 3.916 2.696 ( 1.246 -2.612 -0.855) 3.018 2.712 ( -1.050 -1.367 -2.301) 2.875 2.777 ( 1.916 -4.709 -4.301) 6.660 2.788 ( 0.814 -1.164 -3.446) 3.728 2.857 ( -0.761 -5.689 -3.172) 6.558 2.917 ( -1.663 -0.582 -3.513) 3.930 2.939 ( -1.670 -2.627 -0.302) 3.127 3.017 ( 0.868 3.888 -6.700) 7.795 3.050 ( -2.090 4.171 2.965) 5.528 3.115 ( -0.300 4.202 -0.401) 4.232 3.145 ( 4.192 -0.047 2.684) 4.978 3.207 ( -3.014 1.805 -0.019) 3.513 3.244 ( -0.460 1.776 2.999) 3.515 3.298 ( -0.453 2.846 -0.856) 3.006 3.307 ( 0.248 5.059 -1.477) 5.276 3.334 ( 0.031 -2.585 -3.402) 4.273 3.409 ( 1.413 -2.915 3.820) 5.009 3.459 ( 0.116 -1.129 1.956) 2.262 3.495 ( -0.309 2.346 2.066) 3.142 3.536 ( -2.804 2.652 0.017) 3.859 3.561 ( -3.331 5.209 4.280) 7.520 3.656 ( 2.448 4.828 -2.239) 5.858 3.676 ( -1.716 2.189 3.246) 4.275 3.706 ( -3.056 -2.665 -0.055) 4.055 3.759 ( 1.642 -0.092 -1.472) 2.207 3.778 ( 2.443 -4.191 -1.415) 5.053 3.806 ( 0.240 -0.192 1.710) 1.738 3.877 ( 1.114 -1.064 -4.109) 4.388 3.888 ( 3.203 0.051 1.395) 3.494 3.923 ( 0.199 -1.535 -1.774) 2.354 3.938 ( -2.100 0.543 3.578) 4.185 3.981 ( 1.449 0.814 4.162) 4.481 4.026 ( 4.370 -0.931 3.765) 5.843 4.083 ( -0.787 -2.032 2.544) 3.350 4.122 ( 2.149 5.402 1.693) 6.055 4.221 ( 0.231 0.925 1.201) 1.533 4.238 ( -1.148 0.037 -0.834) 1.419 4.285 ( -2.188 0.881 0.943) 2.540 4.328 ( 2.446 -1.580 1.233) 3.162 4.360 ( 1.563 0.341 1.099) 1.941 4.401 ( -4.003 0.492 -2.632) 4.816 4.417 ( 0.057 0.314 -2.183) 2.206 4.502 ( -0.199 1.658 -1.301) 2.117 4.515 ( -0.246 -0.069 -2.607) 2.620 4.536 ( -1.459 1.672 2.756) 3.538 4.581 ( 0.369 -0.272 -0.674) 0.815 4.649 ( 1.483 -1.385 2.294) 3.062 4.666 ( -0.136 1.738 2.346) 2.922 4.683 ( 1.900 1.351 1.062) 2.561 4.720 ( -0.892 -1.075 3.128) 3.426 4.763 ( -1.533 -0.262 0.627) 1.677 4.798 ( -1.690 2.166 -1.278) 3.030 4.863 ( -0.980 0.266 -2.615) 2.805 4.935 ( -3.951 2.411 -4.696) 6.594 4.948 ( -1.044 -0.336 -3.275) 3.453 4.997 ( 2.793 -0.810 -2.477) 3.820 5.031 ( -1.126 -2.805 4.797) 5.670 5.051 ( -0.302 0.665 3.833) 3.902 5.108 ( 4.337 -2.344 -4.841) 6.909 5.157 ( 2.267 -1.027 -1.111) 2.726 5.198 ( 2.017 -0.980 1.016) 2.462 5.238 ( -3.012 -1.799 -0.822) 3.603 5.264 ( -1.106 0.660 0.759) 1.495 5.295 ( -0.366 -2.596 -2.127) 3.376 5.333 ( -1.222 -1.861 0.605) 2.307 5.370 ( 2.095 -1.053 -1.895) 3.015 5.433 ( 3.535 0.288 -1.477) 3.842 5.454 ( -2.732 1.286 -1.035) 3.192 5.535 ( 2.986 -3.061 2.861) 5.145 5.565 ( -2.311 -2.966 1.267) 3.968 5.596 ( 0.266 -0.415 1.577) 1.653 5.614 ( -1.293 -4.101 0.274) 4.309 5.698 ( -0.486 -4.610 2.827) 5.429 5.739 ( 2.942 -4.324 -1.424) 5.421 5.762 ( -4.447 -0.884 3.285) 5.600 5.782 ( 0.124 1.071 4.270) 4.404 5.842 ( 0.359 -0.152 -0.517) 0.647 5.865 ( 1.522 2.110 -2.688) 3.741 5.919 ( -0.778 -0.504 0.853) 1.260 5.948 ( -2.627 1.997 0.635) 3.361 5.990 ( -0.912 2.608 -2.208) 3.536 6.065 ( 3.257 0.543 -9.702) 10.249 6.084 ( 0.899 1.221 1.614) 2.214 6.122 ( 0.522 1.419 -1.320) 2.007 6.161 ( -0.628 0.918 -0.556) 1.243 6.206 ( -1.172 1.911 -1.562) 2.732 6.232 ( 0.935 -0.184 -0.542) 1.097 6.257 ( 0.682 1.838 -2.605) 3.261 6.297 ( -0.394 -0.100 3.680) 3.703 6.370 ( 0.535 0.748 -1.877) 2.090 6.395 ( -0.678 2.448 -0.467) 2.583 6.446 ( 0.695 3.306 -4.226) 5.410 6.479 ( -1.238 -1.421 0.072) 1.886 6.534 ( 1.632 -0.132 -4.011) 4.332 6.616 ( 0.287 -0.985 -0.017) 1.026 6.623 ( 0.490 -1.196 -1.196) 1.760 6.818 ( 1.562 -0.063 2.702) 3.122 6.877 ( -0.953 -1.524 -2.438) 3.029 6.978 ( -0.887 2.644 1.935) 3.394 6.993 ( 0.007 2.786 1.118) 3.002 7.015 ( -0.491 1.416 -1.295) 1.981 7.042 ( 0.799 1.642 -2.648) 3.216 7.142 ( 0.832 0.964 1.413) 1.902 7.159 ( -1.625 0.785 -0.212) 1.817 7.239 ( -1.866 -2.857 4.130) 5.358 7.312 ( 3.453 -5.204 -2.688) 6.800 7.435 ( 0.447 1.053 0.683) 1.333 7.453 ( -0.974 1.265 -0.690) 1.739 7.568 ( -1.252 -0.459 0.216) 1.351 7.583 ( 2.188 -0.177 -1.074) 2.444 9.695 ( 0.412 0.243 0.193) 0.516 9.699 ( -0.215 0.155 -0.133) 0.297 9.782 ( 0.314 -0.207 0.199) 0.426 9.785 ( -0.499 -0.256 -0.066) 0.565 10.055 ( -0.054 0.192 0.685) 0.713 10.060 ( -0.496 -0.044 0.294) 0.578 10.081 ( -0.499 0.036 0.472) 0.687 10.092 ( 0.315 -0.313 -0.503) 0.671 10.542 ( -0.017 0.045 0.558) 0.561 10.549 ( 0.209 -0.203 -0.109) 0.311 10.626 ( -0.129 -0.013 0.699) 0.710 10.629 ( -0.250 -0.122 0.395) 0.483 12.741 ( -0.808 1.463 -0.500) 1.745 12.747 ( 4.341 0.645 -0.139) 4.390 12.797 ( 2.769 0.749 1.347) 3.169 12.847 ( -6.391 -1.822 -3.649) 7.581 12.964 ( 0.470 -0.647 4.405) 4.477 12.995 ( 6.786 -2.747 2.152) 7.631 13.185 ( -3.584 -0.979 3.632) 5.196 13.243 ( -4.587 -3.050 -3.299) 6.421 14.139 ( -0.612 -1.393 1.852) 2.397 14.159 ( -0.151 -1.703 -0.170) 1.719 14.226 ( -0.284 -1.210 2.624) 2.903 14.253 ( 0.235 -2.201 -0.028) 2.213 14.376 ( -0.329 2.992 2.155) 3.702 14.418 ( 0.517 2.594 -1.702) 3.146 14.475 ( 0.356 2.883 -0.127) 2.908 14.493 ( -0.773 2.327 -1.392) 2.819 14.733 ( 0.738 3.324 4.528) 5.665 14.798 ( -1.591 0.832 3.735) 4.144 14.843 ( -2.162 -0.461 -6.453) 6.821 14.906 ( 4.310 -1.589 -7.045) 8.410 ======================= Grid point 72 (41/45) ======================= q-point: (-0.25 0.25 0.43) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( -1.205 8.357 10.914) 13.799 1.423 ( -3.080 0.770 7.477) 8.123 1.495 ( -2.811 0.385 10.890) 11.254 1.585 ( -0.219 -0.778 5.434) 5.494 1.659 ( 0.725 -0.504 6.638) 6.697 1.693 ( 2.723 -1.433 -2.485) 3.955 1.807 ( -3.632 -3.478 -0.737) 5.082 1.820 ( 2.545 1.094 -5.244) 5.931 1.851 ( -1.727 -2.703 0.685) 3.279 1.890 ( 1.921 -1.532 -0.313) 2.477 1.943 ( 3.839 0.058 7.786) 8.681 1.989 ( 1.467 0.939 -7.098) 7.309 2.066 ( 2.913 3.966 4.264) 6.511 2.088 ( 0.784 -3.660 -6.377) 7.394 2.156 ( 2.629 -4.508 2.441) 5.761 2.173 ( 2.124 -1.964 -1.724) 3.368 2.320 ( -2.816 1.141 2.654) 4.034 2.347 ( -3.982 -1.294 -0.960) 4.296 2.366 ( -1.205 1.983 -0.213) 2.330 2.395 ( -2.164 1.777 -0.602) 2.864 2.471 ( 1.050 -4.739 2.593) 5.503 2.527 ( -2.091 1.949 3.107) 4.222 2.545 ( -1.379 -1.100 -1.211) 2.140 2.586 ( 2.987 -1.669 2.125) 4.028 2.646 ( 0.747 0.954 0.713) 1.406 2.683 ( 0.921 1.029 1.627) 2.134 2.740 ( 2.286 -5.824 -1.093) 6.352 2.760 ( 4.536 -1.414 -3.647) 5.989 2.808 ( 3.496 -0.952 -2.808) 4.584 2.826 ( 2.222 -1.290 5.021) 5.640 2.872 ( 2.632 -2.637 -4.723) 6.016 2.892 ( -1.962 4.375 6.364) 7.968 2.907 ( 2.428 -3.461 -4.687) 6.311 2.967 ( -4.226 2.805 -3.387) 6.099 3.017 ( -1.963 2.290 2.547) 3.947 3.075 ( -3.125 1.253 -1.936) 3.884 3.134 ( -1.293 3.837 -0.506) 4.080 3.190 ( -2.711 2.313 1.437) 3.842 3.249 ( -3.422 -3.319 -1.552) 5.013 3.268 ( 1.606 3.321 -0.459) 3.717 3.317 ( 2.087 0.454 0.087) 2.138 3.336 ( 1.061 -1.243 -2.839) 3.276 3.402 ( -0.356 -0.771 1.309) 1.561 3.419 ( -4.774 -0.819 -0.343) 4.856 3.455 ( -5.414 0.097 2.234) 5.857 3.528 ( 2.348 2.748 2.763) 4.550 3.600 ( 2.723 3.543 1.750) 4.799 3.629 ( -2.759 -1.003 3.144) 4.302 3.662 ( -1.288 -0.372 -3.193) 3.463 3.707 ( 0.463 0.277 3.691) 3.730 3.723 ( -0.833 2.407 -1.910) 3.184 3.783 ( -2.287 0.088 -1.473) 2.721 3.815 ( -0.183 -0.814 3.479) 3.577 3.870 ( -3.396 2.273 -2.923) 5.024 3.896 ( 1.391 -1.293 1.567) 2.462 3.919 ( 3.693 2.433 -5.656) 7.180 3.949 ( 1.997 1.632 0.542) 2.635 4.031 ( -1.326 -0.059 -2.032) 2.427 4.070 ( -0.359 -1.083 3.579) 3.756 4.160 ( 2.454 1.243 -2.143) 3.487 4.181 ( 0.036 2.588 -1.826) 3.168 4.196 ( 0.320 -0.176 3.163) 3.184 4.226 ( -0.325 -1.322 1.219) 1.828 4.289 ( 0.232 2.462 -0.776) 2.592 4.298 ( 1.673 -1.179 -2.221) 3.020 4.344 ( 0.324 -0.081 3.613) 3.628 4.396 ( 0.282 -0.753 0.075) 0.808 4.444 ( -1.527 1.964 0.821) 2.620 4.488 ( 3.206 1.926 1.044) 3.883 4.500 ( -0.249 -0.694 -1.044) 1.278 4.537 ( -0.124 0.354 2.283) 2.314 4.582 ( -0.868 -1.869 2.039) 2.899 4.629 ( -0.174 3.150 -0.310) 3.170 4.669 ( -2.172 0.737 -2.107) 3.114 4.690 ( -0.255 -0.115 1.082) 1.118 4.743 ( 0.888 1.546 4.916) 5.229 4.778 ( 3.461 -1.819 2.429) 4.603 4.797 ( -1.010 1.947 0.433) 2.236 4.825 ( -1.562 -0.233 -2.507) 2.962 4.887 ( -0.789 -2.991 -0.301) 3.108 4.943 ( 0.524 -2.939 -2.399) 3.830 5.000 ( -3.914 -2.726 2.022) 5.180 5.017 ( 1.630 0.788 0.004) 1.811 5.083 ( -0.667 -0.061 3.028) 3.101 5.143 ( 1.772 -1.039 0.505) 2.115 5.162 ( -0.630 -1.382 -3.454) 3.773 5.206 ( 2.957 0.367 -4.961) 5.787 5.228 ( -1.139 -2.091 0.780) 2.506 5.277 ( 2.050 0.958 0.923) 2.444 5.316 ( 6.319 1.098 -4.949) 8.101 5.343 ( 1.197 1.484 -1.175) 2.239 5.376 ( -2.964 -0.006 0.584) 3.021 5.422 ( 0.474 -1.056 0.157) 1.168 5.464 ( -1.053 -2.654 1.306) 3.140 5.522 ( -4.083 -1.370 -0.438) 4.329 5.580 ( -0.584 -0.909 2.978) 3.168 5.595 ( 0.073 -3.370 2.347) 4.107 5.626 ( 0.076 0.183 1.694) 1.706 5.658 ( -2.238 -1.354 0.615) 2.687 5.692 ( 3.029 -4.852 -3.122) 6.516 5.784 ( -4.363 -3.031 6.630) 8.496 5.823 ( 1.558 1.452 2.098) 2.989 5.851 ( 4.190 -3.304 0.420) 5.352 5.887 ( 1.681 0.480 -4.702) 5.017 5.908 ( -0.719 0.075 -3.185) 3.266 5.920 ( -0.075 -0.333 0.968) 1.026 5.962 ( -0.970 2.270 -0.076) 2.470 6.043 ( -2.287 2.304 0.318) 3.262 6.089 ( 0.445 -0.775 -6.735) 6.794 6.102 ( -2.513 -0.550 -1.869) 3.179 6.154 ( -0.374 1.215 1.513) 1.976 6.227 ( 1.950 0.780 -1.577) 2.627 6.236 ( 0.813 3.865 -1.258) 4.145 6.261 ( 0.399 0.960 0.237) 1.066 6.289 ( -2.203 2.332 2.520) 4.080 6.355 ( -2.072 3.773 -1.862) 4.690 6.374 ( 0.515 -1.121 -0.531) 1.343 6.404 ( -1.484 0.734 -5.319) 5.570 6.463 ( -0.849 0.381 -0.217) 0.955 6.506 ( -2.174 0.705 -3.294) 4.009 6.653 ( 2.022 -1.063 -0.383) 2.316 6.658 ( 2.711 -1.059 -1.131) 3.123 6.854 ( 1.411 0.127 0.094) 1.420 6.882 ( 1.263 0.300 -1.172) 1.749 6.967 ( 0.644 0.543 0.750) 1.128 7.023 ( 1.907 0.772 -0.674) 2.165 7.046 ( 2.816 2.210 2.177) 4.190 7.067 ( 1.771 1.993 -1.782) 3.207 7.123 ( -0.996 0.199 0.634) 1.197 7.155 ( -1.447 0.539 1.960) 2.495 7.197 ( -1.864 -1.047 1.560) 2.646 7.319 ( -1.687 -4.288 -3.729) 5.928 7.427 ( 0.141 0.750 -0.427) 0.874 7.475 ( 0.938 -0.306 1.068) 1.454 7.555 ( 0.265 0.683 -0.579) 0.934 7.604 ( 0.312 -0.452 -1.475) 1.574 9.693 ( -0.117 0.192 -0.228) 0.320 9.700 ( -0.169 -0.038 0.042) 0.179 9.784 ( 0.688 0.129 0.108) 0.708 9.797 ( 0.766 -0.330 0.193) 0.856 10.041 ( -1.239 0.152 1.213) 1.740 10.051 ( -0.579 -0.139 0.126) 0.609 10.079 ( 0.162 0.235 0.596) 0.661 10.094 ( 0.004 -0.281 -0.092) 0.296 10.537 ( -0.579 0.082 0.388) 0.702 10.545 ( -0.443 -0.228 -0.361) 0.616 10.628 ( -0.001 -0.077 0.814) 0.817 10.628 ( -0.010 -0.089 0.578) 0.585 12.584 ( -7.668 1.011 0.369) 7.743 12.634 ( -8.063 -0.814 -4.036) 9.054 12.849 ( -1.539 -0.551 1.312) 2.096 12.893 ( -5.433 -0.994 0.667) 5.563 12.961 ( 7.017 1.098 1.500) 7.259 13.054 ( 3.017 -0.814 -7.410) 8.042 13.249 ( 5.066 -1.457 8.772) 10.234 13.318 ( 9.225 -5.862 3.249) 11.402 14.140 ( 0.156 -1.174 2.320) 2.605 14.166 ( 0.767 -2.175 0.306) 2.326 14.225 ( -0.532 -1.192 2.421) 2.750 14.253 ( -0.226 -1.749 -0.583) 1.857 14.371 ( -0.984 3.596 1.848) 4.161 14.407 ( -0.492 2.593 -0.627) 2.712 14.474 ( 0.028 4.049 -2.093) 4.559 14.498 ( 0.931 1.341 0.034) 1.633 14.727 ( -2.450 2.279 4.571) 5.665 14.788 ( -1.119 0.094 -4.437) 4.577 14.808 ( 0.827 2.188 2.252) 3.247 14.951 ( 2.732 -2.062 -8.543) 9.203 ======================= Grid point 73 (42/45) ======================= q-point: ( 0.00 -0.50 0.43) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 43 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -0.651 -2.115 2.040) 3.010 1.395 ( -0.651 2.115 2.040) 3.010 1.597 ( -1.381 -4.229 9.606) 10.587 1.597 ( -1.381 4.229 9.606) 10.587 1.664 ( -2.678 -2.862 3.859) 5.501 1.664 ( -2.678 2.862 3.859) 5.501 1.757 ( 2.927 -4.010 5.229) 7.210 1.757 ( 2.927 4.010 5.229) 7.210 1.829 ( -3.961 -3.105 -1.125) 5.157 1.829 ( -3.961 3.105 -1.125) 5.157 1.996 ( -0.260 -4.624 2.753) 5.388 1.996 ( -0.260 4.624 2.753) 5.388 2.120 ( 2.601 -2.098 -5.645) 6.560 2.120 ( 2.601 2.098 -5.645) 6.560 2.256 ( -1.500 -2.195 5.136) 5.783 2.256 ( -1.500 2.195 5.136) 5.783 2.321 ( 2.863 -1.257 -2.511) 4.011 2.321 ( 2.863 1.257 -2.511) 4.011 2.409 ( 1.294 -2.293 0.722) 2.730 2.409 ( 1.294 2.293 0.722) 2.730 2.448 ( -1.735 -5.536 -0.562) 5.829 2.448 ( -1.735 5.536 -0.562) 5.829 2.515 ( 1.002 -6.591 -1.819) 6.910 2.515 ( 1.002 6.591 -1.819) 6.910 2.654 ( -0.704 -0.468 -5.021) 5.092 2.654 ( -0.704 0.468 -5.021) 5.092 2.777 ( 1.506 -1.024 0.417) 1.868 2.777 ( 1.506 1.024 0.417) 1.868 2.828 ( 0.962 -4.535 3.527) 5.825 2.828 ( 0.962 4.535 3.527) 5.825 2.894 ( -0.290 -5.442 -1.547) 5.665 2.894 ( -0.290 5.442 -1.547) 5.665 2.935 ( -3.754 -1.323 0.235) 3.987 2.935 ( -3.754 1.323 0.235) 3.987 3.057 ( -1.279 -5.794 2.123) 6.302 3.057 ( -1.279 5.794 2.123) 6.302 3.111 ( 1.236 -1.811 -4.390) 4.907 3.111 ( 1.236 1.811 -4.390) 4.907 3.180 ( 0.816 -2.168 -3.334) 4.060 3.180 ( 0.816 2.168 -3.334) 4.060 3.367 ( 1.180 -1.026 -0.731) 1.726 3.367 ( 1.180 1.026 -0.731) 1.726 3.400 ( 1.516 -1.685 -0.188) 2.274 3.400 ( 1.516 1.685 -0.188) 2.274 3.555 ( 4.115 -4.491 6.397) 8.833 3.555 ( 4.115 4.491 6.397) 8.833 3.634 ( -1.829 -1.651 -0.349) 2.488 3.634 ( -1.829 1.651 -0.349) 2.488 3.706 ( 2.527 -4.008 4.275) 6.382 3.706 ( 2.527 4.008 4.275) 6.382 3.777 ( -0.985 -2.606 2.889) 4.014 3.777 ( -0.985 2.606 2.889) 4.014 3.826 ( -3.095 -2.635 -0.575) 4.105 3.826 ( -3.095 2.635 -0.575) 4.105 3.902 ( -0.981 -1.225 -2.007) 2.547 3.902 ( -0.981 1.225 -2.007) 2.547 4.003 ( -2.200 -2.632 -1.904) 3.923 4.003 ( -2.200 2.632 -1.904) 3.923 4.094 ( -0.010 -2.743 1.012) 2.924 4.094 ( -0.010 2.743 1.012) 2.924 4.194 ( -1.995 -1.024 1.335) 2.610 4.194 ( -1.995 1.024 1.335) 2.610 4.239 ( 1.631 -1.868 -3.905) 4.626 4.239 ( 1.631 1.868 -3.905) 4.626 4.375 ( -0.115 -3.309 4.135) 5.297 4.375 ( -0.115 3.309 4.135) 5.297 4.441 ( -0.735 -3.430 -2.004) 4.039 4.441 ( -0.735 3.430 -2.004) 4.039 4.484 ( -1.263 -1.061 1.283) 2.090 4.484 ( -1.263 1.061 1.283) 2.090 4.532 ( -0.212 -1.652 -0.335) 1.699 4.532 ( -0.212 1.652 -0.335) 1.699 4.618 ( -0.016 -3.007 -1.671) 3.440 4.618 ( -0.016 3.007 -1.671) 3.440 4.741 ( 0.732 -3.022 4.370) 5.364 4.741 ( 0.732 3.022 4.370) 5.364 4.786 ( -4.222 -1.011 3.118) 5.345 4.786 ( -4.222 1.011 3.118) 5.345 4.838 ( 0.912 -2.777 1.400) 3.241 4.838 ( 0.912 2.777 1.400) 3.241 4.903 ( 4.711 -3.608 -5.724) 8.245 4.903 ( 4.711 3.608 -5.724) 8.245 5.115 ( -1.410 -0.779 -0.177) 1.620 5.115 ( -1.410 0.779 -0.177) 1.620 5.151 ( 0.941 -2.406 0.096) 2.585 5.151 ( 0.941 2.406 0.096) 2.585 5.232 ( 2.259 -2.801 -0.044) 3.598 5.232 ( 2.259 2.801 -0.044) 3.598 5.316 ( -0.844 -0.882 -1.919) 2.274 5.316 ( -0.844 0.882 -1.919) 2.274 5.376 ( -1.606 -1.992 1.204) 2.828 5.376 ( -1.606 1.992 1.204) 2.828 5.423 ( 1.173 -1.903 -0.064) 2.236 5.423 ( 1.173 1.903 -0.064) 2.236 5.517 ( 0.358 -3.107 4.026) 5.098 5.517 ( 0.358 3.107 4.026) 5.098 5.583 ( -2.716 -0.913 -0.940) 3.015 5.583 ( -2.716 0.913 -0.940) 3.015 5.688 ( 1.412 -2.547 0.734) 3.003 5.688 ( 1.412 2.547 0.734) 3.003 5.765 ( 2.679 -6.252 -3.770) 7.776 5.765 ( 2.679 6.252 -3.770) 7.776 5.860 ( -0.885 -1.947 3.153) 3.810 5.860 ( -0.885 1.947 3.153) 3.810 5.898 ( -2.158 -0.428 -2.930) 3.664 5.898 ( -2.158 0.428 -2.930) 3.664 6.000 ( 0.988 -1.868 -1.966) 2.886 6.000 ( 0.988 1.868 -1.966) 2.886 6.076 ( 1.572 -0.542 -2.976) 3.409 6.076 ( 1.572 0.542 -2.976) 3.409 6.238 ( 0.023 -2.962 1.745) 3.438 6.238 ( 0.023 2.962 1.745) 3.438 6.257 ( 0.961 -0.091 1.272) 1.597 6.257 ( 0.961 0.091 1.272) 1.597 6.338 ( -1.858 -1.199 -2.873) 3.625 6.338 ( -1.858 1.199 -2.873) 3.625 6.400 ( 0.620 -2.452 -0.034) 2.529 6.400 ( 0.620 2.452 -0.034) 2.529 6.466 ( 0.516 -2.141 -4.285) 4.817 6.466 ( 0.516 2.141 -4.285) 4.817 6.656 ( 0.023 -0.777 -1.108) 1.353 6.656 ( 0.023 0.777 -1.108) 1.353 6.898 ( -0.389 -1.563 -0.434) 1.668 6.898 ( -0.389 1.563 -0.434) 1.668 6.987 ( 0.057 -0.570 0.073) 0.578 6.987 ( 0.057 0.570 0.073) 0.578 7.108 ( 0.695 -0.328 -0.300) 0.825 7.108 ( 0.695 0.328 -0.300) 0.825 7.148 ( 0.208 -0.774 1.837) 2.004 7.148 ( 0.208 0.774 1.837) 2.004 7.230 ( -0.392 -1.124 0.602) 1.334 7.230 ( -0.392 1.124 0.602) 1.334 7.438 ( -0.396 -0.379 -0.391) 0.673 7.438 ( -0.396 0.379 -0.391) 0.673 7.581 ( -0.353 -0.528 -0.390) 0.746 7.581 ( -0.353 0.528 -0.390) 0.746 9.694 ( -0.088 -0.043 0.031) 0.103 9.694 ( -0.088 0.043 0.031) 0.103 9.800 ( 0.049 -0.009 0.082) 0.096 9.800 ( 0.049 0.009 0.082) 0.096 10.040 ( 0.223 -0.373 0.260) 0.506 10.040 ( 0.223 0.373 0.260) 0.506 10.091 ( 0.076 -0.182 0.335) 0.389 10.091 ( 0.076 0.182 0.335) 0.389 10.532 ( -0.155 -0.199 0.066) 0.260 10.532 ( -0.155 0.199 0.066) 0.260 10.629 ( -0.008 -0.046 0.602) 0.604 10.629 ( -0.008 0.046 0.602) 0.604 12.526 ( -0.112 -0.870 -0.889) 1.248 12.526 ( -0.112 0.870 -0.889) 1.248 12.801 ( -1.538 -0.359 1.427) 2.129 12.801 ( -1.538 0.359 1.427) 2.129 13.070 ( 0.339 -1.869 -2.081) 2.817 13.070 ( 0.339 1.869 -2.081) 2.817 13.333 ( 1.152 -2.134 4.722) 5.308 13.333 ( 1.152 2.134 4.722) 5.308 14.130 ( -0.052 -0.956 0.637) 1.150 14.130 ( -0.052 0.956 0.637) 1.150 14.226 ( -0.562 -0.818 1.496) 1.795 14.226 ( -0.562 0.818 1.496) 1.795 14.412 ( -0.460 -1.339 3.209) 3.507 14.412 ( -0.460 1.339 3.209) 3.507 14.532 ( 0.841 -0.244 -3.037) 3.161 14.532 ( 0.841 0.244 -3.037) 3.161 14.763 ( 0.423 -2.505 -0.210) 2.549 14.763 ( 0.423 2.505 -0.210) 2.549 14.884 ( -0.014 -3.851 -4.898) 6.230 14.884 ( -0.014 3.851 -4.898) 6.230 ======================= Grid point 75 (43/45) ======================= q-point: ( 0.25 -0.50 0.43) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 3.127 -3.546 4.006) 6.197 1.432 ( 3.127 3.546 4.006) 6.197 1.619 ( -0.391 -6.213 9.914) 11.707 1.619 ( -0.391 6.213 9.914) 11.707 1.644 ( -0.993 -3.399 5.017) 6.141 1.644 ( -0.993 3.399 5.017) 6.141 1.760 ( -0.710 -7.014 -0.745) 7.089 1.760 ( -0.710 7.014 -0.745) 7.089 1.816 ( 0.593 -4.777 4.395) 6.518 1.816 ( 0.593 4.777 4.395) 6.518 1.952 ( -4.016 -4.863 0.090) 6.307 1.952 ( -4.016 4.863 0.090) 6.307 2.079 ( -3.962 -4.641 -3.694) 7.133 2.079 ( -3.962 4.641 -3.694) 7.133 2.208 ( -4.692 -1.466 -0.687) 4.964 2.208 ( -4.692 1.466 -0.687) 4.964 2.322 ( -0.972 -2.407 -0.395) 2.626 2.322 ( -0.972 2.407 -0.395) 2.626 2.425 ( 0.551 -4.830 3.297) 5.874 2.425 ( 0.551 4.830 3.297) 5.874 2.454 ( 1.767 -2.803 -3.640) 4.923 2.454 ( 1.767 2.803 -3.640) 4.923 2.565 ( 2.299 -4.275 0.594) 4.891 2.565 ( 2.299 4.275 0.594) 4.891 2.635 ( 1.301 -1.020 -4.207) 4.520 2.635 ( 1.301 1.020 -4.207) 4.520 2.751 ( -2.304 -1.427 -0.211) 2.718 2.751 ( -2.304 1.427 -0.211) 2.718 2.792 ( -4.081 -3.339 -2.267) 5.739 2.792 ( -4.081 3.339 -2.267) 5.739 2.891 ( -0.762 -5.027 -0.931) 5.169 2.891 ( -0.762 5.027 -0.931) 5.169 2.948 ( 4.200 -4.549 0.345) 6.201 2.948 ( 4.200 4.549 0.345) 6.201 3.031 ( 0.292 -0.570 2.844) 2.915 3.031 ( 0.292 0.570 2.844) 2.915 3.177 ( 1.129 -2.755 -1.477) 3.323 3.177 ( 1.129 2.755 -1.477) 3.323 3.238 ( 7.322 -2.558 -1.275) 7.860 3.238 ( 7.322 2.558 -1.275) 7.860 3.368 ( -0.050 -2.396 -2.947) 3.798 3.368 ( -0.050 2.396 -2.947) 3.798 3.437 ( 0.432 -0.721 -1.861) 2.043 3.437 ( 0.432 0.721 -1.861) 2.043 3.603 ( 2.066 -2.193 0.144) 3.016 3.603 ( 2.066 2.193 0.144) 3.016 3.656 ( 1.040 -2.386 0.266) 2.616 3.656 ( 1.040 2.386 0.266) 2.616 3.701 ( -4.150 -3.272 0.599) 5.318 3.701 ( -4.150 3.272 0.599) 5.318 3.758 ( -0.423 -1.673 3.621) 4.011 3.758 ( -0.423 1.673 3.621) 4.011 3.808 ( 0.473 -2.369 5.856) 6.335 3.808 ( 0.473 2.369 5.856) 6.335 3.886 ( -0.960 -2.059 -1.979) 3.013 3.886 ( -0.960 2.059 -1.979) 3.013 3.946 ( -1.005 -1.693 3.643) 4.142 3.946 ( -1.005 1.693 3.643) 4.142 4.074 ( -5.243 -5.480 2.958) 8.140 4.074 ( -5.243 5.480 2.958) 8.140 4.184 ( 2.388 -1.785 -1.610) 3.389 4.184 ( 2.388 1.785 -1.610) 3.389 4.244 ( 0.324 -0.851 -1.851) 2.063 4.244 ( 0.324 0.851 -1.851) 2.063 4.355 ( -0.970 -2.440 2.624) 3.712 4.355 ( -0.970 2.440 2.624) 3.712 4.437 ( -2.644 -1.409 1.722) 3.455 4.437 ( -2.644 1.409 1.722) 3.455 4.477 ( 2.894 -1.826 0.331) 3.438 4.477 ( 2.894 1.826 0.331) 3.438 4.566 ( 1.365 -1.522 -0.749) 2.177 4.566 ( 1.365 1.522 -0.749) 2.177 4.627 ( 1.452 -2.851 1.306) 3.456 4.627 ( 1.452 2.851 1.306) 3.456 4.708 ( -1.564 -3.027 1.459) 3.707 4.708 ( -1.564 3.027 1.459) 3.707 4.766 ( -0.822 -1.855 1.614) 2.593 4.766 ( -0.822 1.855 1.614) 2.593 4.877 ( 2.350 -2.453 1.371) 3.664 4.877 ( 2.350 2.453 1.371) 3.664 4.976 ( 4.267 -2.297 -6.991) 8.507 4.976 ( 4.267 2.297 -6.991) 8.507 5.089 ( -1.695 -0.961 2.678) 3.312 5.089 ( -1.695 0.961 2.678) 3.312 5.169 ( -1.288 -1.360 -2.300) 2.966 5.169 ( -1.288 1.360 -2.300) 2.966 5.212 ( -2.154 -2.966 -3.004) 4.739 5.212 ( -2.154 2.966 -3.004) 4.739 5.283 ( -1.275 -4.844 0.020) 5.009 5.283 ( -1.275 4.844 0.020) 5.009 5.344 ( -3.195 -2.287 0.156) 3.933 5.344 ( -3.195 2.287 0.156) 3.933 5.419 ( -0.166 -1.592 0.436) 1.658 5.419 ( -0.166 1.592 0.436) 1.658 5.513 ( 3.273 -3.059 -1.791) 4.825 5.513 ( 3.273 3.059 -1.791) 4.825 5.595 ( -2.707 -2.083 -0.594) 3.467 5.595 ( -2.707 2.083 -0.594) 3.467 5.652 ( -1.081 -4.790 5.489) 7.365 5.652 ( -1.081 4.790 5.489) 7.365 5.810 ( -1.541 -1.408 2.693) 3.407 5.810 ( -1.541 1.408 2.693) 3.407 5.865 ( -0.230 -1.072 -0.889) 1.412 5.865 ( -0.230 1.072 -0.889) 1.412 5.889 ( 4.623 -3.423 -4.154) 7.095 5.889 ( 4.623 3.423 -4.154) 7.095 6.024 ( 2.650 -1.009 -3.789) 4.733 6.024 ( 2.650 1.009 -3.789) 4.733 6.110 ( 1.783 -1.323 -1.910) 2.929 6.110 ( 1.783 1.323 -1.910) 2.929 6.222 ( -0.821 -1.655 1.446) 2.346 6.222 ( -0.821 1.655 1.446) 2.346 6.268 ( -2.365 -1.112 -1.212) 2.881 6.268 ( -2.365 1.112 -1.212) 2.881 6.317 ( 1.475 -1.921 0.690) 2.519 6.317 ( 1.475 1.921 0.690) 2.519 6.429 ( 2.067 -0.340 1.510) 2.582 6.429 ( 2.067 0.340 1.510) 2.582 6.484 ( 2.820 -1.730 -6.670) 7.446 6.484 ( 2.820 1.730 -6.670) 7.446 6.631 ( -2.234 -0.828 -0.508) 2.436 6.631 ( -2.234 0.828 -0.508) 2.436 6.857 ( -2.387 -2.735 -0.098) 3.632 6.857 ( -2.387 2.735 -0.098) 3.632 7.009 ( 1.167 -1.919 0.401) 2.282 7.009 ( 1.167 1.919 0.401) 2.282 7.108 ( -3.518 -0.524 0.479) 3.589 7.108 ( -3.518 0.524 0.479) 3.589 7.143 ( 2.222 -1.275 -0.378) 2.590 7.143 ( 2.222 1.275 -0.378) 2.590 7.216 ( -1.139 -1.560 0.960) 2.157 7.216 ( -1.139 1.560 0.960) 2.157 7.450 ( 1.110 -1.766 0.559) 2.159 7.450 ( 1.110 1.766 0.559) 2.159 7.568 ( -0.587 -0.723 -0.061) 0.933 7.568 ( -0.587 0.723 -0.061) 0.933 9.696 ( 0.215 -0.291 0.161) 0.396 9.696 ( 0.215 0.291 0.161) 0.396 9.791 ( -0.841 -0.376 -0.047) 0.922 9.791 ( -0.841 0.376 -0.047) 0.922 10.052 ( 0.739 -0.354 0.111) 0.827 10.052 ( 0.739 0.354 0.111) 0.827 10.090 ( -0.230 -0.079 -0.061) 0.251 10.090 ( -0.230 0.079 -0.061) 0.251 10.537 ( 0.466 -0.160 0.300) 0.576 10.537 ( 0.466 0.160 0.300) 0.576 10.629 ( -0.155 -0.112 0.460) 0.498 10.629 ( -0.155 0.112 0.460) 0.498 12.600 ( 7.794 -0.590 -0.452) 7.830 12.600 ( 7.794 0.590 -0.452) 7.830 12.826 ( 3.066 -0.502 3.646) 4.790 12.826 ( 3.066 0.502 3.646) 4.790 13.005 ( -6.243 -2.089 -1.679) 6.794 13.005 ( -6.243 2.089 -1.679) 6.794 13.298 ( -5.482 -1.993 0.927) 5.906 13.298 ( -5.482 1.993 0.927) 5.906 14.130 ( -0.163 -0.919 0.603) 1.111 14.130 ( -0.163 0.919 0.603) 1.111 14.220 ( -0.452 -0.649 1.928) 2.084 14.220 ( -0.452 0.649 1.928) 2.084 14.419 ( 0.105 -1.172 2.946) 3.172 14.419 ( 0.105 1.172 2.946) 3.172 14.528 ( -0.093 -0.544 -3.356) 3.401 14.528 ( -0.093 0.544 -3.356) 3.401 14.786 ( 1.897 -3.604 -0.496) 4.103 14.786 ( 1.897 3.604 -0.496) 4.103 14.861 ( -0.809 -2.624 -3.643) 4.562 14.861 ( -0.809 2.624 -3.643) 4.562 ======================= Grid point 77 (44/45) ======================= q-point: (-0.50 -0.50 0.43) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 43 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 3.151 -3.194 8.392) 9.515 1.515 ( 3.151 3.194 8.392) 9.515 1.566 ( -5.420 -1.638 2.392) 6.147 1.566 ( -5.420 1.638 2.392) 6.147 1.672 ( -0.448 -8.351 8.532) 11.947 1.672 ( -0.448 8.351 8.532) 11.947 1.765 ( -0.818 -1.072 0.887) 1.614 1.765 ( -0.818 1.072 0.887) 1.614 1.828 ( -0.174 -6.423 -3.419) 7.278 1.828 ( -0.174 6.423 -3.419) 7.278 1.941 ( 5.937 -2.945 6.180) 9.062 1.941 ( 5.937 2.945 6.180) 9.062 2.021 ( -0.927 -6.257 -2.675) 6.868 2.021 ( -0.927 6.257 -2.675) 6.868 2.108 ( -4.332 -0.528 -4.434) 6.221 2.108 ( -4.332 0.528 -4.434) 6.221 2.303 ( -0.952 -2.435 3.755) 4.575 2.303 ( -0.952 2.435 3.755) 4.575 2.429 ( -1.049 -0.721 -1.354) 1.858 2.429 ( -1.049 0.721 -1.354) 1.858 2.488 ( 1.414 -3.574 1.251) 4.042 2.488 ( 1.414 3.574 1.251) 4.042 2.571 ( 0.501 -1.448 -0.345) 1.571 2.571 ( 0.501 1.448 -0.345) 1.571 2.677 ( -2.110 -3.214 -0.524) 3.880 2.677 ( -2.110 3.214 -0.524) 3.880 2.706 ( 2.825 -0.839 -0.187) 2.953 2.706 ( 2.825 0.839 -0.187) 2.953 2.765 ( 1.358 -1.135 -7.434) 7.642 2.765 ( 1.358 1.135 -7.434) 7.642 2.849 ( -1.523 -5.029 -1.207) 5.391 2.849 ( -1.523 5.029 -1.207) 5.391 2.976 ( -0.404 -5.954 -3.150) 6.748 2.976 ( -0.404 5.954 -3.150) 6.748 3.108 ( 4.680 -2.276 2.968) 5.990 3.108 ( 4.680 2.276 2.968) 5.990 3.177 ( -1.334 -1.804 -0.238) 2.256 3.177 ( -1.334 1.804 -0.238) 2.256 3.326 ( 0.216 -3.729 1.495) 4.023 3.326 ( 0.216 3.729 1.495) 4.023 3.349 ( -0.095 -3.889 -0.695) 3.952 3.349 ( -0.095 3.889 -0.695) 3.952 3.397 ( -3.708 -1.616 -2.072) 4.545 3.397 ( -3.708 1.616 -2.072) 4.545 3.580 ( -3.401 -2.109 4.127) 5.749 3.580 ( -3.401 2.109 4.127) 5.749 3.632 ( -1.668 -3.606 0.688) 4.032 3.632 ( -1.668 3.606 0.688) 4.032 3.704 ( -0.346 -1.327 1.095) 1.755 3.704 ( -0.346 1.327 1.095) 1.755 3.756 ( -0.345 -4.390 -0.653) 4.451 3.756 ( -0.345 4.390 -0.653) 4.451 3.818 ( 0.910 -1.825 2.503) 3.228 3.818 ( 0.910 1.825 2.503) 3.228 3.883 ( 1.034 -0.899 -0.822) 1.598 3.883 ( 1.034 0.899 -0.822) 1.598 3.974 ( 2.479 -2.683 3.219) 4.869 3.974 ( 2.479 2.683 3.219) 4.869 4.032 ( 1.209 -2.591 2.210) 3.614 4.032 ( 1.209 2.591 2.210) 3.614 4.222 ( -2.139 -2.092 1.191) 3.220 4.222 ( -2.139 2.092 1.191) 3.220 4.252 ( 3.462 -1.661 0.819) 3.927 4.252 ( 3.462 1.661 0.819) 3.927 4.360 ( 0.787 -1.686 0.795) 2.024 4.360 ( 0.787 1.686 0.795) 2.024 4.412 ( -1.035 -1.105 -0.659) 1.651 4.412 ( -1.035 1.105 -0.659) 1.651 4.520 ( -0.011 -0.516 0.312) 0.604 4.520 ( -0.011 0.516 0.312) 0.604 4.549 ( -0.455 -2.162 -0.483) 2.261 4.549 ( -0.455 2.162 -0.483) 2.261 4.658 ( 1.063 -2.129 3.491) 4.225 4.658 ( 1.063 2.129 3.491) 4.225 4.710 ( 0.125 -1.219 -2.106) 2.437 4.710 ( 0.125 1.219 -2.106) 2.437 4.794 ( 2.965 -3.708 2.857) 5.541 4.794 ( 2.965 3.708 2.857) 5.541 4.895 ( -1.347 -3.432 -1.794) 4.100 4.895 ( -1.347 3.432 -1.794) 4.100 4.969 ( -3.243 -1.114 -4.949) 6.021 4.969 ( -3.243 1.114 -4.949) 6.021 5.058 ( -3.219 -4.172 -0.235) 5.274 5.058 ( -3.219 4.172 -0.235) 5.274 5.102 ( 0.775 -3.536 2.245) 4.259 5.102 ( 0.775 3.536 2.245) 4.259 5.192 ( 0.361 -1.837 -3.557) 4.019 5.192 ( 0.361 1.837 -3.557) 4.019 5.298 ( 1.678 -3.225 -0.504) 3.670 5.298 ( 1.678 3.225 -0.504) 3.670 5.314 ( 0.856 -3.084 -1.344) 3.472 5.314 ( 0.856 3.084 -1.344) 3.472 5.438 ( 0.519 -2.006 -2.199) 3.021 5.438 ( 0.519 2.006 -2.199) 3.021 5.517 ( -0.831 -0.784 1.411) 1.816 5.517 ( -0.831 0.784 1.411) 1.816 5.598 ( 1.133 -2.864 2.362) 3.881 5.598 ( 1.133 2.864 2.362) 3.881 5.638 ( -0.149 -3.646 -1.525) 3.955 5.638 ( -0.149 3.646 -1.525) 3.955 5.785 ( -2.605 -1.714 7.742) 8.346 5.785 ( -2.605 1.714 7.742) 8.346 5.859 ( 0.433 -1.746 -0.816) 1.975 5.859 ( 0.433 1.746 -0.816) 1.975 5.935 ( 0.702 -2.103 -3.621) 4.246 5.935 ( 0.702 2.103 -3.621) 4.246 6.047 ( 0.247 -1.892 -4.051) 4.478 6.047 ( 0.247 1.892 -4.051) 4.478 6.128 ( 0.093 -1.468 0.070) 1.473 6.128 ( 0.093 1.468 0.070) 1.473 6.184 ( -0.992 -1.172 -2.882) 3.265 6.184 ( -0.992 1.172 -2.882) 3.265 6.277 ( 1.178 -1.616 1.900) 2.759 6.277 ( 1.178 1.616 1.900) 2.759 6.329 ( 0.306 -3.437 0.609) 3.504 6.329 ( 0.306 3.437 0.609) 3.504 6.452 ( -0.888 -1.716 -1.217) 2.284 6.452 ( -0.888 1.716 -1.217) 2.284 6.506 ( 0.983 -2.361 -4.658) 5.313 6.506 ( 0.983 2.361 -4.658) 5.313 6.606 ( 0.807 -0.240 -0.692) 1.090 6.606 ( 0.807 0.240 -0.692) 1.090 6.836 ( 0.378 -1.758 -0.602) 1.896 6.836 ( 0.378 1.758 -0.602) 1.896 7.024 ( -0.301 -0.855 1.584) 1.825 7.024 ( -0.301 0.855 1.584) 1.825 7.058 ( -0.067 -1.394 -0.711) 1.567 7.058 ( -0.067 1.394 -0.711) 1.567 7.171 ( -1.541 -1.945 1.727) 3.023 7.171 ( -1.541 1.945 1.727) 3.023 7.203 ( 1.059 -3.706 -0.393) 3.874 7.203 ( 1.059 3.706 -0.393) 3.874 7.460 ( -0.264 -0.830 1.091) 1.396 7.460 ( -0.264 0.830 1.091) 1.396 7.570 ( 0.883 -0.759 -1.168) 1.649 7.570 ( 0.883 0.759 -1.168) 1.649 9.700 ( 0.091 -0.110 0.092) 0.170 9.700 ( 0.091 0.110 0.092) 0.170 9.780 ( -0.104 -0.097 -0.000) 0.142 9.780 ( -0.104 0.097 -0.000) 0.142 10.058 ( -0.332 -0.103 0.690) 0.773 10.058 ( -0.332 0.103 0.690) 0.773 10.085 ( -0.093 -0.318 -0.276) 0.431 10.085 ( -0.093 0.318 -0.276) 0.431 10.545 ( 0.117 -0.185 0.211) 0.304 10.545 ( 0.117 0.185 0.211) 0.304 10.627 ( -0.189 -0.081 0.524) 0.563 10.627 ( -0.189 0.081 0.524) 0.563 12.764 ( 4.749 -0.336 -0.681) 4.809 12.764 ( 4.749 0.336 -0.681) 4.809 12.806 ( -4.700 -1.295 -0.947) 4.966 12.806 ( -4.700 1.295 -0.947) 4.966 12.962 ( 3.172 -0.592 3.496) 4.758 12.962 ( 3.172 0.592 3.496) 4.758 13.187 ( -4.000 -1.587 0.754) 4.369 13.187 ( -4.000 1.587 0.754) 4.369 14.128 ( -0.177 -0.731 0.821) 1.113 14.128 ( -0.177 0.731 0.821) 1.113 14.222 ( -0.014 -0.734 1.738) 1.887 14.222 ( -0.014 0.734 1.738) 1.887 14.427 ( -0.294 -1.550 1.926) 2.490 14.427 ( -0.294 1.550 1.926) 2.490 14.516 ( -0.049 -0.525 -2.060) 2.126 14.516 ( -0.049 0.525 -2.060) 2.126 14.799 ( -1.067 -1.826 0.451) 2.162 14.799 ( -1.067 1.826 0.451) 2.162 14.857 ( 2.180 -2.571 -4.787) 5.855 14.857 ( 2.180 2.571 -4.787) 5.855 ======================= Grid point 79 (45/45) ======================= q-point: (-0.25 -0.50 0.43) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -5.648 -2.623 1.886) 6.507 1.451 ( -5.648 2.623 1.886) 6.507 1.597 ( 0.025 -1.244 9.950) 10.028 1.597 ( 0.025 1.244 9.950) 10.028 1.675 ( 0.269 -8.751 7.349) 11.431 1.675 ( 0.269 8.751 7.349) 11.431 1.724 ( -2.604 -3.688 1.113) 4.650 1.724 ( -2.604 3.688 1.113) 4.650 1.866 ( 2.752 -2.193 -1.655) 3.889 1.866 ( 2.752 2.193 -1.655) 3.889 1.980 ( -1.350 -2.143 -2.631) 3.652 1.980 ( -1.350 2.143 -2.631) 3.652 2.068 ( 2.211 -2.418 -1.363) 3.548 2.068 ( 2.211 2.418 -1.363) 3.548 2.143 ( 10.682 -3.329 1.800) 11.332 2.143 ( 10.682 3.329 1.800) 11.332 2.311 ( -0.401 -2.173 2.959) 3.693 2.311 ( -0.401 2.173 2.959) 3.693 2.388 ( -1.931 -1.830 3.048) 4.046 2.388 ( -1.931 1.830 3.048) 4.046 2.492 ( -0.398 -4.687 -4.023) 6.190 2.492 ( -0.398 4.687 -4.023) 6.190 2.562 ( -3.735 -1.651 1.930) 4.516 2.562 ( -3.735 1.651 1.930) 4.516 2.660 ( 1.444 -3.391 -3.520) 5.096 2.660 ( 1.444 3.391 -3.520) 5.096 2.727 ( 1.223 -2.466 -1.780) 3.278 2.727 ( 1.223 2.466 -1.780) 3.278 2.791 ( 2.634 -1.359 -1.259) 3.220 2.791 ( 2.634 1.359 -1.259) 3.220 2.882 ( 3.756 -2.092 -1.135) 4.447 2.882 ( 3.756 2.092 -1.135) 4.447 2.965 ( -0.188 -3.166 -0.384) 3.195 2.965 ( -0.188 3.166 -0.384) 3.195 3.076 ( -4.620 -1.691 -1.707) 5.207 3.076 ( -4.620 1.691 -1.707) 5.207 3.184 ( -0.023 -2.403 -0.637) 2.486 3.184 ( -0.023 2.403 -0.637) 2.486 3.243 ( -8.386 -5.225 -1.150) 9.947 3.243 ( -8.386 5.225 -1.150) 9.947 3.333 ( 1.131 -2.845 -0.665) 3.133 3.333 ( 1.131 2.845 -0.665) 3.133 3.394 ( 1.258 -1.215 1.984) 2.644 3.394 ( 1.258 1.215 1.984) 2.644 3.519 ( -4.209 -4.419 6.744) 9.095 3.519 ( -4.209 4.419 6.744) 9.095 3.641 ( 2.452 -1.586 3.236) 4.359 3.641 ( 2.452 1.586 3.236) 4.359 3.670 ( -1.390 -3.517 -1.236) 3.979 3.670 ( -1.390 3.517 -1.236) 3.979 3.773 ( 0.295 -3.284 3.659) 4.925 3.773 ( 0.295 3.284 3.659) 4.925 3.830 ( 0.935 -3.268 -0.671) 3.465 3.830 ( 0.935 3.268 -0.671) 3.465 3.925 ( 1.963 -2.485 -1.880) 3.683 3.925 ( 1.963 2.485 -1.880) 3.683 4.019 ( -0.771 -2.659 -0.093) 2.770 4.019 ( -0.771 2.659 -0.093) 2.770 4.093 ( 4.088 -4.894 -0.017) 6.376 4.093 ( 4.088 4.894 -0.017) 6.376 4.181 ( -1.076 -0.107 1.950) 2.229 4.181 ( -1.076 0.107 1.950) 2.229 4.267 ( -2.129 -1.442 -2.808) 3.808 4.267 ( -2.129 1.442 -2.808) 3.808 4.366 ( -0.610 -2.927 0.423) 3.019 4.366 ( -0.610 2.927 0.423) 3.019 4.414 ( 2.468 -5.475 0.295) 6.013 4.414 ( 2.468 5.475 0.295) 6.013 4.504 ( -0.427 -1.259 1.523) 2.021 4.504 ( -0.427 1.259 1.523) 2.021 4.553 ( -0.474 -1.140 -0.742) 1.440 4.553 ( -0.474 1.140 -0.742) 1.440 4.668 ( -2.913 -1.012 -1.434) 3.402 4.668 ( -2.913 1.012 -1.434) 3.402 4.715 ( 1.007 -2.959 0.830) 3.234 4.715 ( 1.007 2.959 0.830) 3.234 4.794 ( -0.445 -3.947 0.295) 3.983 4.794 ( -0.445 3.947 0.295) 3.983 4.857 ( -0.640 -2.961 -2.458) 3.901 4.857 ( -0.640 2.961 -2.458) 3.901 4.895 ( -3.942 -5.128 2.133) 6.811 4.895 ( -3.942 5.128 2.133) 6.811 5.089 ( 4.893 -3.319 3.407) 6.824 5.089 ( 4.893 3.319 3.407) 6.824 5.132 ( 0.617 -3.995 0.850) 4.130 5.132 ( 0.617 3.995 0.850) 4.130 5.197 ( 0.980 -1.587 -3.471) 3.940 5.197 ( 0.980 1.587 -3.471) 3.940 5.315 ( 0.857 -2.720 -1.782) 3.362 5.315 ( 0.857 2.720 -1.782) 3.362 5.368 ( 3.626 -2.503 -1.686) 4.718 5.368 ( 3.626 2.503 -1.686) 4.718 5.419 ( -0.109 -2.917 0.328) 2.938 5.419 ( -0.109 2.917 0.328) 2.938 5.499 ( -3.433 -1.899 0.386) 3.942 5.499 ( -3.433 1.899 0.386) 3.942 5.592 ( 3.602 -2.336 -0.660) 4.344 5.592 ( 3.602 2.336 -0.660) 4.344 5.697 ( -1.873 -4.089 4.193) 6.149 5.697 ( -1.873 4.089 4.193) 6.149 5.739 ( -0.292 -5.280 1.757) 5.573 5.739 ( -0.292 5.280 1.757) 5.573 5.881 ( 0.186 -1.949 0.967) 2.184 5.881 ( 0.186 1.949 0.967) 2.184 5.910 ( -0.447 -0.817 -2.876) 3.023 5.910 ( -0.447 0.817 -2.876) 3.023 6.018 ( -1.428 -3.127 -4.602) 5.744 6.018 ( -1.428 3.127 -4.602) 5.744 6.095 ( -2.135 -1.380 -1.473) 2.938 6.095 ( -2.135 1.380 -1.473) 2.938 6.197 ( 1.264 -2.399 2.519) 3.701 6.197 ( 1.264 2.399 2.519) 3.701 6.283 ( -0.553 -1.584 -1.532) 2.271 6.283 ( -0.553 1.584 -1.532) 2.271 6.341 ( 0.417 -2.197 1.526) 2.708 6.341 ( 0.417 2.197 1.526) 2.708 6.415 ( -1.114 -1.261 -3.525) 3.906 6.415 ( -1.114 1.261 -3.525) 3.906 6.490 ( -1.312 -2.401 -2.880) 3.973 6.490 ( -1.312 2.401 -2.880) 3.973 6.638 ( 2.100 -0.388 -1.464) 2.589 6.638 ( 2.100 0.388 -1.464) 2.589 6.865 ( 2.689 -1.013 -0.975) 3.034 6.865 ( 2.689 1.013 -0.975) 3.034 7.009 ( -1.234 -2.203 0.188) 2.532 7.009 ( -1.234 2.203 0.188) 2.532 7.100 ( 2.662 -1.734 1.334) 3.446 7.100 ( 2.662 1.734 1.334) 3.446 7.127 ( -1.913 -0.945 1.061) 2.383 7.127 ( -1.913 0.945 1.061) 2.383 7.225 ( 0.664 -3.879 0.361) 3.952 7.225 ( 0.664 3.879 0.361) 3.952 7.454 ( -0.697 -1.516 0.220) 1.683 7.454 ( -0.697 1.516 0.220) 1.683 7.581 ( 0.553 -1.564 -1.463) 2.212 7.581 ( 0.553 1.564 -1.463) 2.212 9.698 ( -0.254 -0.184 -0.052) 0.318 9.698 ( -0.254 0.184 -0.052) 0.318 9.789 ( 0.865 -0.341 0.143) 0.941 9.789 ( 0.865 0.341 0.143) 0.941 10.046 ( -0.915 -0.271 0.691) 1.178 10.046 ( -0.915 0.271 0.691) 1.178 10.087 ( 0.203 -0.405 0.266) 0.526 10.087 ( 0.203 0.405 0.266) 0.526 10.540 ( -0.517 -0.229 -0.033) 0.566 10.540 ( -0.517 0.229 -0.033) 0.566 10.627 ( -0.017 -0.010 0.680) 0.680 10.627 ( -0.017 0.010 0.680) 0.680 12.611 ( -8.047 -1.356 -1.653) 8.326 12.611 ( -8.047 1.356 -1.653) 8.326 12.855 ( -2.749 -1.366 0.867) 3.190 12.855 ( -2.749 1.366 0.867) 3.190 13.015 ( 4.935 -2.817 -2.627) 6.260 13.015 ( 4.935 2.817 -2.627) 6.260 13.240 ( 5.778 -1.302 6.760) 8.988 13.240 ( 5.778 1.302 6.760) 8.988 14.129 ( -0.079 -0.787 0.827) 1.144 14.129 ( -0.079 0.787 0.827) 1.144 14.227 ( -0.037 -0.977 1.380) 1.691 14.227 ( -0.037 0.977 1.380) 1.691 14.419 ( -1.011 -1.228 2.138) 2.664 14.419 ( -1.011 1.228 2.138) 2.664 14.520 ( 0.955 -0.114 -1.721) 1.972 14.520 ( 0.955 0.114 -1.721) 1.972 14.773 ( -1.343 -1.639 0.163) 2.125 14.773 ( -1.343 1.639 0.163) 2.125 14.884 ( 1.806 -4.200 -5.463) 7.124 14.884 ( 1.806 4.200 -5.463) 7.124 =================== 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 3/18816 10.0 81.725 54.839 140.627 0.000 5.639 0.000 3/18816 20.0 9.901 6.837 22.032 0.000 0.646 0.000 3/18816 30.0 3.839 2.795 8.447 0.000 0.212 0.000 3/18816 40.0 2.219 1.676 4.728 0.000 0.107 0.000 3/18816 50.0 1.535 1.188 3.183 0.000 0.066 0.000 3/18816 60.0 1.172 0.921 2.379 0.000 0.045 0.000 3/18816 70.0 0.950 0.755 1.899 0.000 0.033 0.000 3/18816 80.0 0.802 0.643 1.583 0.000 0.025 0.000 3/18816 90.0 0.697 0.562 1.362 0.000 0.020 0.000 3/18816 100.0 0.619 0.502 1.200 0.000 0.017 0.000 3/18816 110.0 0.558 0.456 1.075 0.000 0.014 0.000 3/18816 120.0 0.510 0.419 0.977 0.000 0.013 0.000 3/18816 130.0 0.471 0.389 0.898 0.000 0.012 0.000 3/18816 140.0 0.438 0.365 0.832 0.000 0.011 0.000 3/18816 150.0 0.411 0.344 0.777 0.000 0.010 0.000 3/18816 160.0 0.387 0.326 0.730 0.000 0.010 0.000 3/18816 170.0 0.366 0.310 0.689 0.000 0.009 0.000 3/18816 180.0 0.348 0.297 0.653 0.000 0.009 0.000 3/18816 190.0 0.332 0.284 0.621 0.000 0.008 0.000 3/18816 200.0 0.317 0.273 0.592 0.000 0.008 0.000 3/18816 210.0 0.303 0.263 0.566 0.000 0.008 0.000 3/18816 220.0 0.291 0.254 0.543 0.000 0.008 0.000 3/18816 230.0 0.280 0.245 0.521 0.000 0.008 0.000 3/18816 240.0 0.270 0.237 0.502 0.000 0.007 0.000 3/18816 250.0 0.260 0.229 0.483 0.000 0.007 0.000 3/18816 260.0 0.251 0.222 0.467 0.000 0.007 0.000 3/18816 270.0 0.243 0.216 0.451 0.000 0.007 0.000 3/18816 280.0 0.235 0.209 0.436 0.000 0.007 0.000 3/18816 290.0 0.228 0.204 0.422 0.000 0.006 0.000 3/18816 300.0 0.221 0.198 0.410 0.000 0.006 0.000 3/18816 310.0 0.215 0.193 0.398 0.000 0.006 0.000 3/18816 320.0 0.209 0.188 0.386 0.000 0.006 0.000 3/18816 330.0 0.203 0.183 0.375 0.000 0.006 0.000 3/18816 340.0 0.198 0.178 0.365 0.000 0.006 0.000 3/18816 350.0 0.192 0.174 0.356 0.000 0.006 0.000 3/18816 360.0 0.188 0.170 0.346 0.000 0.005 0.000 3/18816 370.0 0.183 0.166 0.338 0.000 0.005 0.000 3/18816 380.0 0.179 0.162 0.329 0.000 0.005 0.000 3/18816 390.0 0.174 0.159 0.322 0.000 0.005 0.000 3/18816 400.0 0.170 0.155 0.314 0.000 0.005 0.000 3/18816 410.0 0.166 0.152 0.307 0.000 0.005 0.000 3/18816 420.0 0.163 0.149 0.300 0.000 0.005 0.000 3/18816 430.0 0.159 0.145 0.293 0.000 0.005 0.000 3/18816 440.0 0.156 0.143 0.287 0.000 0.005 0.000 3/18816 450.0 0.153 0.140 0.281 0.000 0.005 0.000 3/18816 460.0 0.149 0.137 0.275 0.000 0.004 0.000 3/18816 470.0 0.146 0.134 0.270 0.000 0.004 0.000 3/18816 480.0 0.144 0.132 0.264 0.000 0.004 0.000 3/18816 490.0 0.141 0.129 0.259 0.000 0.004 0.000 3/18816 500.0 0.138 0.127 0.254 0.000 0.004 0.000 3/18816 510.0 0.136 0.125 0.250 0.000 0.004 0.000 3/18816 520.0 0.133 0.123 0.245 0.000 0.004 0.000 3/18816 530.0 0.131 0.120 0.241 0.000 0.004 0.000 3/18816 540.0 0.128 0.118 0.236 0.000 0.004 0.000 3/18816 550.0 0.126 0.116 0.232 0.000 0.004 0.000 3/18816 560.0 0.124 0.114 0.228 0.000 0.004 0.000 3/18816 570.0 0.122 0.113 0.224 0.000 0.004 0.000 3/18816 580.0 0.120 0.111 0.221 0.000 0.004 0.000 3/18816 590.0 0.118 0.109 0.217 0.000 0.004 0.000 3/18816 600.0 0.116 0.107 0.214 0.000 0.004 0.000 3/18816 610.0 0.114 0.106 0.210 0.000 0.003 0.000 3/18816 620.0 0.112 0.104 0.207 0.000 0.003 0.000 3/18816 630.0 0.111 0.103 0.204 0.000 0.003 0.000 3/18816 640.0 0.109 0.101 0.201 0.000 0.003 0.000 3/18816 650.0 0.107 0.100 0.198 0.000 0.003 0.000 3/18816 660.0 0.106 0.098 0.195 0.000 0.003 0.000 3/18816 670.0 0.104 0.097 0.192 0.000 0.003 0.000 3/18816 680.0 0.103 0.095 0.189 0.000 0.003 0.000 3/18816 690.0 0.101 0.094 0.187 0.000 0.003 0.000 3/18816 700.0 0.100 0.093 0.184 0.000 0.003 0.000 3/18816 710.0 0.099 0.092 0.181 0.000 0.003 0.000 3/18816 720.0 0.097 0.090 0.179 0.000 0.003 0.000 3/18816 730.0 0.096 0.089 0.177 0.000 0.003 0.000 3/18816 740.0 0.095 0.088 0.174 0.000 0.003 0.000 3/18816 750.0 0.094 0.087 0.172 0.000 0.003 0.000 3/18816 760.0 0.092 0.086 0.170 0.000 0.003 0.000 3/18816 770.0 0.091 0.085 0.168 0.000 0.003 0.000 3/18816 780.0 0.090 0.084 0.166 0.000 0.003 0.000 3/18816 790.0 0.089 0.083 0.163 0.000 0.003 0.000 3/18816 800.0 0.088 0.082 0.161 0.000 0.003 0.000 3/18816 810.0 0.087 0.081 0.160 0.000 0.003 0.000 3/18816 820.0 0.086 0.080 0.158 0.000 0.003 0.000 3/18816 830.0 0.085 0.079 0.156 0.000 0.003 0.000 3/18816 840.0 0.084 0.078 0.154 0.000 0.003 0.000 3/18816 850.0 0.083 0.077 0.152 0.000 0.003 0.000 3/18816 860.0 0.082 0.076 0.150 0.000 0.003 0.000 3/18816 870.0 0.081 0.075 0.149 0.000 0.002 0.000 3/18816 880.0 0.080 0.075 0.147 0.000 0.002 0.000 3/18816 890.0 0.079 0.074 0.145 0.000 0.002 0.000 3/18816 900.0 0.078 0.073 0.144 0.000 0.002 0.000 3/18816 910.0 0.077 0.072 0.142 0.000 0.002 0.000 3/18816 920.0 0.077 0.071 0.141 0.000 0.002 0.000 3/18816 930.0 0.076 0.071 0.139 0.000 0.002 0.000 3/18816 940.0 0.075 0.070 0.138 0.000 0.002 0.000 3/18816 950.0 0.074 0.069 0.136 0.000 0.002 0.000 3/18816 960.0 0.073 0.069 0.135 0.000 0.002 0.000 3/18816 970.0 0.073 0.068 0.134 0.000 0.002 0.000 3/18816 980.0 0.072 0.067 0.132 0.000 0.002 0.000 3/18816 990.0 0.071 0.067 0.131 0.000 0.002 0.000 3/18816 1000.0 0.071 0.066 0.130 0.000 0.002 0.000 3/18816 Thermal conductivity related properties were written into "kappa-m447.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 16:23:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|