----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 01:25:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.286536505005794 -2.619703260000000 0.000000000000000 b 6.286536505005794 2.619703260000000 0.000000000000000 c -1.678449194053011 0.000000000000000 11.404927331241611 Atomic positions (fractional): *1 Mg 0.57660758104310 0.95805758942449 0.14734109409273 24.305 2 Mg 0.95805758942449 0.57660758104310 0.64734109409273 24.305 3 Mg 0.04194241057551 0.42339241895690 0.35265890590727 24.305 4 Mg 0.42339241895690 0.04194241057551 0.85265890590727 24.305 *5 Te 0.94478971902896 0.32477972808118 0.05418026895280 127.600 6 Te 0.32477972808118 0.94478971902896 0.55418026895280 127.600 *7 Te 0.16499299109106 0.83500700890894 0.25000000000000 127.600 8 Te 0.83500700890894 0.16499299109106 0.75000000000000 127.600 9 Te 0.67522027191882 0.05521028097104 0.44581973104720 127.600 10 Te 0.05521028097104 0.67522027191882 0.94581973104720 127.600 *11 O 0.85848485664979 0.98051724031210 0.14360965706622 15.999 12 O 0.98051724031210 0.85848485664979 0.64360965706622 15.999 *13 O 0.72529308079716 0.74480349788993 0.47315908630709 15.999 *14 O 0.84132482538085 0.55394752776279 0.19324998869723 15.999 15 O 0.74480349788993 0.72529308079716 0.97315908630709 15.999 16 O 0.55394752776279 0.84132482538085 0.69324998869723 15.999 *17 O 0.25044436772641 0.97809395742246 0.13510587856842 15.999 18 O 0.97809395742246 0.25044436772641 0.63510587856842 15.999 19 O 0.02190604257754 0.74955563227359 0.36489412143158 15.999 20 O 0.74955563227359 0.02190604257754 0.86489412143158 15.999 21 O 0.44605247223721 0.15867517461915 0.30675001130277 15.999 22 O 0.25519650211007 0.27470691920284 0.02684091369291 15.999 23 O 0.15867517461915 0.44605247223721 0.80675001130277 15.999 24 O 0.27470691920284 0.25519650211007 0.52684091369291 15.999 25 O 0.01948275968790 0.14151514335021 0.35639034293378 15.999 26 O 0.14151514335021 0.01948275968790 0.85639034293378 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.573073010011587 0.000000000000000 0.000000000000000 b 0.000000000000000 5.239406519999999 0.000000000000000 c -1.678449194053011 0.000000000000000 11.404927331241611 Atomic positions (fractional): *1 Mg 0.26733258523379 0.69072500419070 0.14734109409273 24.305 > 1 2 Mg 0.26733258523379 0.30927499580930 0.64734109409273 24.305 > 2 3 Mg 0.23266741476621 0.19072500419070 0.35265890590727 24.305 > 3 4 Mg 0.23266741476621 0.80927499580930 0.85265890590727 24.305 > 4 5 Mg 0.76733258523379 0.19072500419070 0.14734109409273 24.305 > 1 6 Mg 0.76733258523379 0.80927499580930 0.64734109409273 24.305 > 2 7 Mg 0.73266741476621 0.69072500419070 0.35265890590727 24.305 > 3 8 Mg 0.73266741476621 0.30927499580930 0.85265890590727 24.305 > 4 *9 Te 0.13478472355507 0.18999500452611 0.05418026895280 127.600 > 5 10 Te 0.13478472355507 0.81000499547389 0.55418026895280 127.600 > 6 *11 Te 0.00000000000000 0.83500700890894 0.25000000000000 127.600 > 7 12 Te 0.00000000000000 0.16499299109106 0.75000000000000 127.600 > 8 13 Te 0.36521527644493 0.68999500452611 0.44581973104720 127.600 > 9 14 Te 0.36521527644493 0.31000499547389 0.94581973104720 127.600 > 10 15 Te 0.63478472355507 0.68999500452611 0.05418026895280 127.600 > 5 16 Te 0.63478472355507 0.31000499547389 0.55418026895280 127.600 > 6 17 Te 0.50000000000000 0.33500700890894 0.25000000000000 127.600 > 7 18 Te 0.50000000000000 0.66499299109106 0.75000000000000 127.600 > 8 19 Te 0.86521527644493 0.18999500452611 0.44581973104720 127.600 > 9 20 Te 0.86521527644493 0.81000499547389 0.94581973104720 127.600 > 10 *21 O 0.41950104848094 0.56101619183115 0.14360965706622 15.999 > 11 22 O 0.41950104848094 0.43898380816885 0.64360965706622 15.999 > 12 *23 O 0.23504828934355 0.50975520854639 0.47315908630709 15.999 > 13 *24 O 0.19763617657182 0.35631135119097 0.19324998869723 15.999 > 14 25 O 0.23504828934355 0.49024479145361 0.97315908630709 15.999 > 15 26 O 0.19763617657182 0.64368864880903 0.69324998869723 15.999 > 16 *27 O 0.11426916257444 0.86382479484803 0.13510587856842 15.999 > 17 28 O 0.11426916257444 0.13617520515197 0.63510587856842 15.999 > 18 29 O 0.38573083742556 0.36382479484803 0.36489412143158 15.999 > 19 30 O 0.38573083742556 0.63617520515197 0.86489412143158 15.999 > 20 31 O 0.30236382342818 0.85631135119097 0.30675001130277 15.999 > 21 32 O 0.26495171065645 0.00975520854639 0.02684091369291 15.999 > 22 33 O 0.30236382342818 0.14368864880903 0.80675001130277 15.999 > 23 34 O 0.26495171065645 0.99024479145361 0.52684091369291 15.999 > 24 35 O 0.08049895151906 0.06101619183115 0.35639034293378 15.999 > 25 36 O 0.08049895151906 0.93898380816885 0.85639034293378 15.999 > 26 37 O 0.91950104848094 0.06101619183115 0.14360965706622 15.999 > 11 38 O 0.91950104848094 0.93898380816885 0.64360965706622 15.999 > 12 39 O 0.73504828934355 0.00975520854639 0.47315908630709 15.999 > 13 40 O 0.69763617657182 0.85631135119097 0.19324998869723 15.999 > 14 41 O 0.73504828934355 0.99024479145361 0.97315908630709 15.999 > 15 42 O 0.69763617657182 0.14368864880903 0.69324998869723 15.999 > 16 43 O 0.61426916257444 0.36382479484803 0.13510587856842 15.999 > 17 44 O 0.61426916257444 0.63617520515197 0.63510587856842 15.999 > 18 45 O 0.88573083742556 0.86382479484803 0.36489412143158 15.999 > 19 46 O 0.88573083742556 0.13617520515197 0.86489412143158 15.999 > 20 47 O 0.80236382342818 0.35631135119097 0.30675001130277 15.999 > 21 48 O 0.76495171065645 0.50975520854639 0.02684091369291 15.999 > 22 49 O 0.80236382342818 0.64368864880903 0.80675001130277 15.999 > 23 50 O 0.76495171065645 0.49024479145361 0.52684091369291 15.999 > 24 51 O 0.58049895151906 0.56101619183115 0.35639034293378 15.999 > 25 52 O 0.58049895151906 0.43898380816885 0.85639034293378 15.999 > 26 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.573073010011587 0.000000000000000 0.000000000000000 b 0.000000000000000 10.478813039999999 0.000000000000000 c -1.678449194053011 0.000000000000000 11.404927331241611 Atomic positions (fractional): *1 Mg 0.26733258523379 0.34536250209535 0.14734109409273 24.305 > 1 2 Mg 0.26733258523379 0.84536250209535 0.14734109409273 24.305 > 1 3 Mg 0.26733258523379 0.15463749790465 0.64734109409273 24.305 > 2 4 Mg 0.26733258523379 0.65463749790465 0.64734109409273 24.305 > 2 5 Mg 0.23266741476621 0.09536250209535 0.35265890590727 24.305 > 3 6 Mg 0.23266741476621 0.59536250209535 0.35265890590727 24.305 > 3 7 Mg 0.23266741476621 0.40463749790465 0.85265890590727 24.305 > 4 8 Mg 0.23266741476621 0.90463749790465 0.85265890590727 24.305 > 4 9 Mg 0.76733258523379 0.09536250209535 0.14734109409273 24.305 > 1 10 Mg 0.76733258523379 0.59536250209535 0.14734109409273 24.305 > 1 11 Mg 0.76733258523379 0.40463749790465 0.64734109409273 24.305 > 2 12 Mg 0.76733258523379 0.90463749790465 0.64734109409273 24.305 > 2 13 Mg 0.73266741476621 0.34536250209535 0.35265890590727 24.305 > 3 14 Mg 0.73266741476621 0.84536250209535 0.35265890590727 24.305 > 3 15 Mg 0.73266741476621 0.15463749790465 0.85265890590727 24.305 > 4 16 Mg 0.73266741476621 0.65463749790465 0.85265890590727 24.305 > 4 *17 Te 0.13478472355507 0.09499750226305 0.05418026895280 127.600 > 5 18 Te 0.13478472355507 0.59499750226305 0.05418026895280 127.600 > 5 19 Te 0.13478472355507 0.40500249773695 0.55418026895280 127.600 > 6 20 Te 0.13478472355507 0.90500249773695 0.55418026895280 127.600 > 6 *21 Te 0.00000000000000 0.41750350445447 0.25000000000000 127.600 > 7 22 Te 0.00000000000000 0.91750350445447 0.25000000000000 127.600 > 7 23 Te 0.00000000000000 0.08249649554553 0.75000000000000 127.600 > 8 24 Te 0.00000000000000 0.58249649554553 0.75000000000000 127.600 > 8 25 Te 0.36521527644493 0.34499750226305 0.44581973104720 127.600 > 9 26 Te 0.36521527644493 0.84499750226305 0.44581973104720 127.600 > 9 27 Te 0.36521527644493 0.15500249773695 0.94581973104720 127.600 > 10 28 Te 0.36521527644493 0.65500249773695 0.94581973104720 127.600 > 10 29 Te 0.63478472355507 0.34499750226305 0.05418026895280 127.600 > 5 30 Te 0.63478472355507 0.84499750226305 0.05418026895280 127.600 > 5 31 Te 0.63478472355507 0.15500249773695 0.55418026895280 127.600 > 6 32 Te 0.63478472355507 0.65500249773695 0.55418026895280 127.600 > 6 33 Te 0.50000000000000 0.16750350445447 0.25000000000000 127.600 > 7 34 Te 0.50000000000000 0.66750350445447 0.25000000000000 127.600 > 7 35 Te 0.50000000000000 0.33249649554553 0.75000000000000 127.600 > 8 36 Te 0.50000000000000 0.83249649554553 0.75000000000000 127.600 > 8 37 Te 0.86521527644493 0.09499750226305 0.44581973104720 127.600 > 9 38 Te 0.86521527644493 0.59499750226305 0.44581973104720 127.600 > 9 39 Te 0.86521527644493 0.40500249773695 0.94581973104720 127.600 > 10 40 Te 0.86521527644493 0.90500249773695 0.94581973104720 127.600 > 10 *41 O 0.41950104848094 0.28050809591558 0.14360965706622 15.999 > 11 42 O 0.41950104848094 0.78050809591558 0.14360965706622 15.999 > 11 43 O 0.41950104848094 0.21949190408442 0.64360965706622 15.999 > 12 44 O 0.41950104848094 0.71949190408442 0.64360965706622 15.999 > 12 *45 O 0.23504828934355 0.25487760427319 0.47315908630709 15.999 > 13 46 O 0.23504828934355 0.75487760427319 0.47315908630709 15.999 > 13 *47 O 0.19763617657182 0.17815567559549 0.19324998869723 15.999 > 14 48 O 0.19763617657182 0.67815567559549 0.19324998869723 15.999 > 14 49 O 0.23504828934355 0.24512239572681 0.97315908630709 15.999 > 15 50 O 0.23504828934355 0.74512239572681 0.97315908630709 15.999 > 15 51 O 0.19763617657182 0.32184432440451 0.69324998869723 15.999 > 16 52 O 0.19763617657182 0.82184432440451 0.69324998869723 15.999 > 16 *53 O 0.11426916257444 0.43191239742401 0.13510587856842 15.999 > 17 54 O 0.11426916257444 0.93191239742401 0.13510587856842 15.999 > 17 55 O 0.11426916257444 0.06808760257599 0.63510587856842 15.999 > 18 56 O 0.11426916257444 0.56808760257599 0.63510587856842 15.999 > 18 57 O 0.38573083742556 0.18191239742401 0.36489412143158 15.999 > 19 58 O 0.38573083742556 0.68191239742401 0.36489412143158 15.999 > 19 59 O 0.38573083742556 0.31808760257599 0.86489412143158 15.999 > 20 60 O 0.38573083742556 0.81808760257599 0.86489412143158 15.999 > 20 61 O 0.30236382342818 0.42815567559549 0.30675001130277 15.999 > 21 62 O 0.30236382342818 0.92815567559549 0.30675001130277 15.999 > 21 63 O 0.26495171065645 0.00487760427319 0.02684091369291 15.999 > 22 64 O 0.26495171065645 0.50487760427319 0.02684091369291 15.999 > 22 65 O 0.30236382342818 0.07184432440451 0.80675001130277 15.999 > 23 66 O 0.30236382342818 0.57184432440451 0.80675001130277 15.999 > 23 67 O 0.26495171065645 0.49512239572681 0.52684091369291 15.999 > 24 68 O 0.26495171065645 0.99512239572681 0.52684091369291 15.999 > 24 69 O 0.08049895151906 0.03050809591558 0.35639034293378 15.999 > 25 70 O 0.08049895151906 0.53050809591558 0.35639034293378 15.999 > 25 71 O 0.08049895151906 0.46949190408442 0.85639034293378 15.999 > 26 72 O 0.08049895151906 0.96949190408442 0.85639034293378 15.999 > 26 73 O 0.91950104848094 0.03050809591558 0.14360965706622 15.999 > 11 74 O 0.91950104848094 0.53050809591558 0.14360965706622 15.999 > 11 75 O 0.91950104848094 0.46949190408442 0.64360965706622 15.999 > 12 76 O 0.91950104848094 0.96949190408442 0.64360965706622 15.999 > 12 77 O 0.73504828934355 0.00487760427319 0.47315908630709 15.999 > 13 78 O 0.73504828934355 0.50487760427319 0.47315908630709 15.999 > 13 79 O 0.69763617657182 0.42815567559549 0.19324998869723 15.999 > 14 80 O 0.69763617657182 0.92815567559549 0.19324998869723 15.999 > 14 81 O 0.73504828934355 0.49512239572681 0.97315908630709 15.999 > 15 82 O 0.73504828934355 0.99512239572681 0.97315908630709 15.999 > 15 83 O 0.69763617657182 0.07184432440451 0.69324998869723 15.999 > 16 84 O 0.69763617657182 0.57184432440451 0.69324998869723 15.999 > 16 85 O 0.61426916257444 0.18191239742401 0.13510587856842 15.999 > 17 86 O 0.61426916257444 0.68191239742401 0.13510587856842 15.999 > 17 87 O 0.61426916257444 0.31808760257599 0.63510587856842 15.999 > 18 88 O 0.61426916257444 0.81808760257599 0.63510587856842 15.999 > 18 89 O 0.88573083742556 0.43191239742401 0.36489412143158 15.999 > 19 90 O 0.88573083742556 0.93191239742401 0.36489412143158 15.999 > 19 91 O 0.88573083742556 0.06808760257599 0.86489412143158 15.999 > 20 92 O 0.88573083742556 0.56808760257599 0.86489412143158 15.999 > 20 93 O 0.80236382342818 0.17815567559549 0.30675001130277 15.999 > 21 94 O 0.80236382342818 0.67815567559549 0.30675001130277 15.999 > 21 95 O 0.76495171065645 0.25487760427319 0.02684091369291 15.999 > 22 96 O 0.76495171065645 0.75487760427319 0.02684091369291 15.999 > 22 97 O 0.80236382342818 0.32184432440451 0.80675001130277 15.999 > 23 98 O 0.80236382342818 0.82184432440451 0.80675001130277 15.999 > 23 99 O 0.76495171065645 0.24512239572681 0.52684091369291 15.999 > 24 100 O 0.76495171065645 0.74512239572681 0.52684091369291 15.999 > 24 101 O 0.58049895151906 0.28050809591558 0.35639034293378 15.999 > 25 102 O 0.58049895151906 0.78050809591558 0.35639034293378 15.999 > 25 103 O 0.58049895151906 0.21949190408442 0.85639034293378 15.999 > 26 104 O 0.58049895151906 0.71949190408442 0.85639034293378 15.999 > 26 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1655414 0.0000000 -0.4346106 0.0000000 3.5817694 0.0000000 -0.4346125 0.0000000 4.4511878 -------------------------- Born effective charges -------------------------- 1 Mg 2.0845405 -0.2863582 0.0021458 -0.3434047 2.4254033 -0.0977835 0.2639881 0.3626640 2.1809077 2 Mg 2.0845405 0.2863582 0.0021458 0.3434047 2.4254033 0.0977835 0.2639881 -0.3626640 2.1809077 3 Mg 2.0845405 0.2863582 0.0021458 0.3434047 2.4254033 0.0977835 0.2639881 -0.3626640 2.1809077 4 Mg 2.0845405 -0.2863582 0.0021458 -0.3434047 2.4254033 -0.0977835 0.2639881 0.3626640 2.1809077 5 Te 3.7933564 1.7657926 -0.7002151 1.1836262 3.5366430 0.1324030 -0.5621343 -0.4020701 4.4596073 6 Te 3.7933564 -1.7657926 -0.7002151 -1.1836262 3.5366430 -0.1324030 -0.5621343 0.4020701 4.4596073 7 Te 4.8352235 0.0000000 -1.5519375 0.0000000 1.3318176 0.0000000 -1.2006678 0.0000000 5.0019194 8 Te 4.8352235 0.0000000 -1.5519375 0.0000000 1.3318176 0.0000000 -1.2006678 0.0000000 5.0019194 9 Te 3.7933564 -1.7657926 -0.7002151 -1.1836262 3.5366430 -0.1324030 -0.5621343 0.4020701 4.4596073 10 Te 3.7933564 1.7657926 -0.7002151 1.1836262 3.5366430 0.1324030 -0.5621343 -0.4020701 4.4596073 11 O -1.9374582 0.2946293 -0.4331784 0.0524737 -1.0996022 -0.2200442 -0.4806075 0.3657068 -2.6453609 12 O -1.9374582 -0.2946293 -0.4331784 -0.0524737 -1.0996022 0.2200442 -0.4806075 -0.3657068 -2.6453609 13 O -2.6428631 0.2612328 0.5263041 0.3911515 -1.9334505 -0.2645826 0.9839710 -0.3422343 -1.6562911 14 O -1.2828557 -0.2722432 -0.0771763 -0.4438077 -1.7057786 -0.6247209 -0.5631072 -0.2346268 -2.4541160 15 O -2.6428631 -0.2612328 0.5263041 -0.3911515 -1.9334505 0.2645826 0.9839710 0.3422343 -1.6562911 16 O -1.2828557 0.2722432 -0.0771763 0.4438077 -1.7057786 0.6247209 -0.5631072 0.2346268 -2.4541160 17 O -2.4323318 -1.1678591 1.4580887 -0.2073319 -1.8891237 0.8050294 0.9582237 1.0947245 -2.3857066 18 O -2.4323318 1.1678591 1.4580887 0.2073319 -1.8891237 -0.8050294 0.9582237 -1.0947245 -2.3857066 19 O -2.4323318 1.1678591 1.4580887 0.2073319 -1.8891237 -0.8050294 0.9582237 -1.0947245 -2.3857066 20 O -2.4323318 -1.1678591 1.4580887 -0.2073319 -1.8891237 0.8050294 0.9582237 1.0947245 -2.3857066 21 O -1.2828557 0.2722432 -0.0771763 0.4438077 -1.7057786 0.6247209 -0.5631072 0.2346268 -2.4541160 22 O -2.6428631 -0.2612328 0.5263041 -0.3911515 -1.9334505 0.2645826 0.9839710 0.3422343 -1.6562911 23 O -1.2828557 -0.2722432 -0.0771763 -0.4438077 -1.7057786 -0.6247209 -0.5631072 -0.2346268 -2.4541160 24 O -2.6428631 0.2612328 0.5263041 0.3911515 -1.9334505 -0.2645826 0.9839710 -0.3422343 -1.6562911 25 O -1.9374582 -0.2946293 -0.4331784 -0.0524737 -1.0996022 0.2200442 -0.4806075 -0.3657068 -2.6453609 26 O -1.9374582 0.2946293 -0.4331784 0.0524737 -1.0996022 -0.2200442 -0.4806075 0.3657068 -2.6453609 ---------------------------------------------------------------------------- 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: 312/312 Permutation basis: 15018/15018 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3161 Number of blocks in projector: 3161 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: 680 Use submatrix version of eigh solver. (1) Block: 500 / 680 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 680 / 680 (1) 172 eigenvectors found. (1) Complementary block size: 21 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 672 Use submatrix version of eigh solver. (1) Block: 500 / 672 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 672 / 672 (1) 161 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 672 Use submatrix version of eigh solver. (1) Block: 500 / 672 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 672 / 672 (1) 161 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 379 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 379 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 379 Use standard eigh solver. Tree of FC basis block matrices: - (3161, 3103), data: False |-- (379, 372), data: True |-- (379, 372), data: True |-- (379, 372), data: True |-- (672, 660), data: False |-- (672, 11), data: (672, 23) @ (23, 11) |-- (172, 161), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (672, 660), data: False |-- (672, 11), data: (672, 23) @ (23, 11) |-- (172, 161), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (680, 667), data: False |-- (680, 8), data: (680, 21) @ (21, 8) |-- (180, 172), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 800 - Time: 0.852 Solver_block: 200 / 800 - Time: 0.800 Solver_block: 300 / 800 - Time: 0.799 Solver_block: 400 / 800 - Time: 0.782 Solver_block: 500 / 800 - Time: 0.786 Solver_block: 600 / 800 - Time: 0.784 Solver_block: 700 / 800 - Time: 0.787 Solver_block: 800 / 800 - Time: 0.786 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.501 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 312/312 Permutation basis: 15018/15018 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3161 Number of blocks in projector: 3161 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: 680 Use submatrix version of eigh solver. (1) Block: 500 / 680 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 680 / 680 (1) 172 eigenvectors found. (1) Complementary block size: 21 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 672 Use submatrix version of eigh solver. (1) Block: 500 / 672 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 672 / 672 (1) 161 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 672 Use submatrix version of eigh solver. (1) Block: 500 / 672 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 672 / 672 (1) 161 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 379 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 379 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 379 Use standard eigh solver. Tree of FC basis block matrices: - (3161, 3103), data: False |-- (379, 372), data: True |-- (379, 372), data: True |-- (379, 372), data: True |-- (672, 660), data: False |-- (672, 11), data: (672, 23) @ (23, 11) |-- (172, 161), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (672, 660), data: False |-- (672, 11), data: (672, 23) @ (23, 11) |-- (172, 161), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (680, 667), data: False |-- (680, 8), data: (680, 21) @ (21, 8) |-- (180, 172), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 01:25:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:25:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.286536505005794 -2.619703260000000 0.000000000000000 b 6.286536505005794 2.619703260000000 0.000000000000000 c -1.678449194053011 0.000000000000000 11.404927331241611 Atomic positions (fractional): 1 Mg 0.57660758104310 0.95805758942449 0.14734109409273 24.305 2 Mg 0.95805758942449 0.57660758104310 0.64734109409273 24.305 3 Mg 0.04194241057551 0.42339241895690 0.35265890590727 24.305 4 Mg 0.42339241895690 0.04194241057551 0.85265890590727 24.305 5 Te 0.94478971902896 0.32477972808118 0.05418026895280 127.600 6 Te 0.32477972808118 0.94478971902896 0.55418026895280 127.600 7 Te 0.16499299109106 0.83500700890894 0.25000000000000 127.600 8 Te 0.83500700890894 0.16499299109106 0.75000000000000 127.600 9 Te 0.67522027191882 0.05521028097104 0.44581973104720 127.600 10 Te 0.05521028097104 0.67522027191882 0.94581973104720 127.600 11 O 0.85848485664979 0.98051724031210 0.14360965706622 15.999 12 O 0.98051724031210 0.85848485664979 0.64360965706622 15.999 13 O 0.72529308079716 0.74480349788993 0.47315908630709 15.999 14 O 0.84132482538085 0.55394752776279 0.19324998869723 15.999 15 O 0.74480349788993 0.72529308079716 0.97315908630709 15.999 16 O 0.55394752776279 0.84132482538085 0.69324998869723 15.999 17 O 0.25044436772641 0.97809395742246 0.13510587856842 15.999 18 O 0.97809395742246 0.25044436772641 0.63510587856842 15.999 19 O 0.02190604257754 0.74955563227359 0.36489412143158 15.999 20 O 0.74955563227359 0.02190604257754 0.86489412143158 15.999 21 O 0.44605247223721 0.15867517461915 0.30675001130277 15.999 22 O 0.25519650211007 0.27470691920284 0.02684091369291 15.999 23 O 0.15867517461915 0.44605247223721 0.80675001130277 15.999 24 O 0.27470691920284 0.25519650211007 0.52684091369291 15.999 25 O 0.01948275968790 0.14151514335021 0.35639034293378 15.999 26 O 0.14151514335021 0.01948275968790 0.85639034293378 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.573073010011587 0.000000000000000 0.000000000000000 b 0.000000000000000 10.478813039999999 0.000000000000000 c -1.678449194053011 0.000000000000000 11.404927331241611 Atomic positions (fractional): 1 Mg 0.26733258523379 0.34536250209535 0.14734109409273 24.305 > 1 2 Mg 0.26733258523379 0.84536250209535 0.14734109409273 24.305 > 1 3 Mg 0.26733258523379 0.15463749790465 0.64734109409273 24.305 > 3 4 Mg 0.26733258523379 0.65463749790465 0.64734109409273 24.305 > 3 5 Mg 0.23266741476621 0.09536250209535 0.35265890590727 24.305 > 5 6 Mg 0.23266741476621 0.59536250209535 0.35265890590727 24.305 > 5 7 Mg 0.23266741476621 0.40463749790465 0.85265890590727 24.305 > 7 8 Mg 0.23266741476621 0.90463749790465 0.85265890590727 24.305 > 7 9 Mg 0.76733258523379 0.09536250209535 0.14734109409273 24.305 > 1 10 Mg 0.76733258523379 0.59536250209535 0.14734109409273 24.305 > 1 11 Mg 0.76733258523379 0.40463749790465 0.64734109409273 24.305 > 3 12 Mg 0.76733258523379 0.90463749790465 0.64734109409273 24.305 > 3 13 Mg 0.73266741476621 0.34536250209535 0.35265890590727 24.305 > 5 14 Mg 0.73266741476621 0.84536250209535 0.35265890590727 24.305 > 5 15 Mg 0.73266741476621 0.15463749790465 0.85265890590727 24.305 > 7 16 Mg 0.73266741476621 0.65463749790465 0.85265890590727 24.305 > 7 17 Te 0.13478472355507 0.09499750226305 0.05418026895280 127.600 > 17 18 Te 0.13478472355507 0.59499750226305 0.05418026895280 127.600 > 17 19 Te 0.13478472355507 0.40500249773695 0.55418026895280 127.600 > 19 20 Te 0.13478472355507 0.90500249773695 0.55418026895280 127.600 > 19 21 Te 0.00000000000000 0.41750350445447 0.25000000000000 127.600 > 21 22 Te 0.00000000000000 0.91750350445447 0.25000000000000 127.600 > 21 23 Te 0.00000000000000 0.08249649554553 0.75000000000000 127.600 > 23 24 Te 0.00000000000000 0.58249649554553 0.75000000000000 127.600 > 23 25 Te 0.36521527644493 0.34499750226305 0.44581973104720 127.600 > 25 26 Te 0.36521527644493 0.84499750226305 0.44581973104720 127.600 > 25 27 Te 0.36521527644493 0.15500249773695 0.94581973104720 127.600 > 27 28 Te 0.36521527644493 0.65500249773695 0.94581973104720 127.600 > 27 29 Te 0.63478472355507 0.34499750226305 0.05418026895280 127.600 > 17 30 Te 0.63478472355507 0.84499750226305 0.05418026895280 127.600 > 17 31 Te 0.63478472355507 0.15500249773695 0.55418026895280 127.600 > 19 32 Te 0.63478472355507 0.65500249773695 0.55418026895280 127.600 > 19 33 Te 0.50000000000000 0.16750350445447 0.25000000000000 127.600 > 21 34 Te 0.50000000000000 0.66750350445447 0.25000000000000 127.600 > 21 35 Te 0.50000000000000 0.33249649554553 0.75000000000000 127.600 > 23 36 Te 0.50000000000000 0.83249649554553 0.75000000000000 127.600 > 23 37 Te 0.86521527644493 0.09499750226305 0.44581973104720 127.600 > 25 38 Te 0.86521527644493 0.59499750226305 0.44581973104720 127.600 > 25 39 Te 0.86521527644493 0.40500249773695 0.94581973104720 127.600 > 27 40 Te 0.86521527644493 0.90500249773695 0.94581973104720 127.600 > 27 41 O 0.41950104848094 0.28050809591558 0.14360965706622 15.999 > 41 42 O 0.41950104848094 0.78050809591558 0.14360965706622 15.999 > 41 43 O 0.41950104848094 0.21949190408442 0.64360965706622 15.999 > 43 44 O 0.41950104848094 0.71949190408442 0.64360965706622 15.999 > 43 45 O 0.23504828934355 0.25487760427319 0.47315908630709 15.999 > 45 46 O 0.23504828934355 0.75487760427319 0.47315908630709 15.999 > 45 47 O 0.19763617657182 0.17815567559549 0.19324998869723 15.999 > 47 48 O 0.19763617657182 0.67815567559549 0.19324998869723 15.999 > 47 49 O 0.23504828934355 0.24512239572681 0.97315908630709 15.999 > 49 50 O 0.23504828934355 0.74512239572681 0.97315908630709 15.999 > 49 51 O 0.19763617657182 0.32184432440451 0.69324998869723 15.999 > 51 52 O 0.19763617657182 0.82184432440451 0.69324998869723 15.999 > 51 53 O 0.11426916257444 0.43191239742401 0.13510587856842 15.999 > 53 54 O 0.11426916257444 0.93191239742401 0.13510587856842 15.999 > 53 55 O 0.11426916257444 0.06808760257599 0.63510587856842 15.999 > 55 56 O 0.11426916257444 0.56808760257599 0.63510587856842 15.999 > 55 57 O 0.38573083742556 0.18191239742401 0.36489412143158 15.999 > 57 58 O 0.38573083742556 0.68191239742401 0.36489412143158 15.999 > 57 59 O 0.38573083742556 0.31808760257599 0.86489412143158 15.999 > 59 60 O 0.38573083742556 0.81808760257599 0.86489412143158 15.999 > 59 61 O 0.30236382342818 0.42815567559549 0.30675001130277 15.999 > 61 62 O 0.30236382342818 0.92815567559549 0.30675001130277 15.999 > 61 63 O 0.26495171065645 0.00487760427319 0.02684091369291 15.999 > 63 64 O 0.26495171065645 0.50487760427319 0.02684091369291 15.999 > 63 65 O 0.30236382342818 0.07184432440451 0.80675001130277 15.999 > 65 66 O 0.30236382342818 0.57184432440451 0.80675001130277 15.999 > 65 67 O 0.26495171065645 0.49512239572681 0.52684091369291 15.999 > 67 68 O 0.26495171065645 0.99512239572681 0.52684091369291 15.999 > 67 69 O 0.08049895151906 0.03050809591558 0.35639034293378 15.999 > 69 70 O 0.08049895151906 0.53050809591558 0.35639034293378 15.999 > 69 71 O 0.08049895151906 0.46949190408442 0.85639034293378 15.999 > 71 72 O 0.08049895151906 0.96949190408442 0.85639034293378 15.999 > 71 73 O 0.91950104848094 0.03050809591558 0.14360965706622 15.999 > 41 74 O 0.91950104848094 0.53050809591558 0.14360965706622 15.999 > 41 75 O 0.91950104848094 0.46949190408442 0.64360965706622 15.999 > 43 76 O 0.91950104848094 0.96949190408442 0.64360965706622 15.999 > 43 77 O 0.73504828934355 0.00487760427319 0.47315908630709 15.999 > 45 78 O 0.73504828934355 0.50487760427319 0.47315908630709 15.999 > 45 79 O 0.69763617657182 0.42815567559549 0.19324998869723 15.999 > 47 80 O 0.69763617657182 0.92815567559549 0.19324998869723 15.999 > 47 81 O 0.73504828934355 0.49512239572681 0.97315908630709 15.999 > 49 82 O 0.73504828934355 0.99512239572681 0.97315908630709 15.999 > 49 83 O 0.69763617657182 0.07184432440451 0.69324998869723 15.999 > 51 84 O 0.69763617657182 0.57184432440451 0.69324998869723 15.999 > 51 85 O 0.61426916257444 0.18191239742401 0.13510587856842 15.999 > 53 86 O 0.61426916257444 0.68191239742401 0.13510587856842 15.999 > 53 87 O 0.61426916257444 0.31808760257599 0.63510587856842 15.999 > 55 88 O 0.61426916257444 0.81808760257599 0.63510587856842 15.999 > 55 89 O 0.88573083742556 0.43191239742401 0.36489412143158 15.999 > 57 90 O 0.88573083742556 0.93191239742401 0.36489412143158 15.999 > 57 91 O 0.88573083742556 0.06808760257599 0.86489412143158 15.999 > 59 92 O 0.88573083742556 0.56808760257599 0.86489412143158 15.999 > 59 93 O 0.80236382342818 0.17815567559549 0.30675001130277 15.999 > 61 94 O 0.80236382342818 0.67815567559549 0.30675001130277 15.999 > 61 95 O 0.76495171065645 0.25487760427319 0.02684091369291 15.999 > 63 96 O 0.76495171065645 0.75487760427319 0.02684091369291 15.999 > 63 97 O 0.80236382342818 0.32184432440451 0.80675001130277 15.999 > 65 98 O 0.80236382342818 0.82184432440451 0.80675001130277 15.999 > 65 99 O 0.76495171065645 0.24512239572681 0.52684091369291 15.999 > 67 100 O 0.76495171065645 0.74512239572681 0.52684091369291 15.999 > 67 101 O 0.58049895151906 0.28050809591558 0.35639034293378 15.999 > 69 102 O 0.58049895151906 0.78050809591558 0.35639034293378 15.999 > 69 103 O 0.58049895151906 0.21949190408442 0.85639034293378 15.999 > 71 104 O 0.58049895151906 0.71949190408442 0.85639034293378 15.999 > 71 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1655414 0.0000000 -0.4346106 0.0000000 3.5817694 0.0000000 -0.4346125 0.0000000 4.4511878 -------------------------- Born effective charges -------------------------- 1 Mg 2.0845405 -0.2863582 0.0021458 -0.3434047 2.4254033 -0.0977835 0.2639881 0.3626640 2.1809077 2 Mg 2.0845405 0.2863582 0.0021458 0.3434047 2.4254033 0.0977835 0.2639881 -0.3626640 2.1809077 3 Mg 2.0845405 0.2863582 0.0021458 0.3434047 2.4254033 0.0977835 0.2639881 -0.3626640 2.1809077 4 Mg 2.0845405 -0.2863582 0.0021458 -0.3434047 2.4254033 -0.0977835 0.2639881 0.3626640 2.1809077 5 Te 3.7933564 1.7657926 -0.7002151 1.1836262 3.5366430 0.1324030 -0.5621343 -0.4020701 4.4596073 6 Te 3.7933564 -1.7657926 -0.7002151 -1.1836262 3.5366430 -0.1324030 -0.5621343 0.4020701 4.4596073 7 Te 4.8352235 0.0000000 -1.5519375 0.0000000 1.3318176 0.0000000 -1.2006678 0.0000000 5.0019194 8 Te 4.8352235 0.0000000 -1.5519375 0.0000000 1.3318176 0.0000000 -1.2006678 0.0000000 5.0019194 9 Te 3.7933564 -1.7657926 -0.7002151 -1.1836262 3.5366430 -0.1324030 -0.5621343 0.4020701 4.4596073 10 Te 3.7933564 1.7657926 -0.7002151 1.1836262 3.5366430 0.1324030 -0.5621343 -0.4020701 4.4596073 11 O -1.9374582 0.2946293 -0.4331784 0.0524737 -1.0996022 -0.2200442 -0.4806075 0.3657068 -2.6453609 12 O -1.9374582 -0.2946293 -0.4331784 -0.0524737 -1.0996022 0.2200442 -0.4806075 -0.3657068 -2.6453609 13 O -2.6428631 0.2612328 0.5263041 0.3911515 -1.9334505 -0.2645826 0.9839710 -0.3422343 -1.6562911 14 O -1.2828557 -0.2722432 -0.0771763 -0.4438077 -1.7057786 -0.6247209 -0.5631072 -0.2346268 -2.4541160 15 O -2.6428631 -0.2612328 0.5263041 -0.3911515 -1.9334505 0.2645826 0.9839710 0.3422343 -1.6562911 16 O -1.2828557 0.2722432 -0.0771763 0.4438077 -1.7057786 0.6247209 -0.5631072 0.2346268 -2.4541160 17 O -2.4323318 -1.1678591 1.4580887 -0.2073319 -1.8891237 0.8050294 0.9582237 1.0947245 -2.3857066 18 O -2.4323318 1.1678591 1.4580887 0.2073319 -1.8891237 -0.8050294 0.9582237 -1.0947245 -2.3857066 19 O -2.4323318 1.1678591 1.4580887 0.2073319 -1.8891237 -0.8050294 0.9582237 -1.0947245 -2.3857066 20 O -2.4323318 -1.1678591 1.4580887 -0.2073319 -1.8891237 0.8050294 0.9582237 1.0947245 -2.3857066 21 O -1.2828557 0.2722432 -0.0771763 0.4438077 -1.7057786 0.6247209 -0.5631072 0.2346268 -2.4541160 22 O -2.6428631 -0.2612328 0.5263041 -0.3911515 -1.9334505 0.2645826 0.9839710 0.3422343 -1.6562911 23 O -1.2828557 -0.2722432 -0.0771763 -0.4438077 -1.7057786 -0.6247209 -0.5631072 -0.2346268 -2.4541160 24 O -2.6428631 0.2612328 0.5263041 0.3911515 -1.9334505 -0.2645826 0.9839710 -0.3422343 -1.6562911 25 O -1.9374582 -0.2946293 -0.4331784 -0.0524737 -1.0996022 0.2200442 -0.4806075 -0.3657068 -2.6453609 26 O -1.9374582 0.2946293 -0.4331784 0.0524737 -1.0996022 -0.2200442 -0.4806075 0.3657068 -2.6453609 ---------------------------------------------------------------------------- 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 41, 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 45, 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 47, 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 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 2026-01-09 01:26:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:26:10]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.286536505005794 -2.619703260000000 0.000000000000000 b 6.286536505005794 2.619703260000000 0.000000000000000 c -1.678449194053011 0.000000000000000 11.404927331241611 Atomic positions (fractional): 1 Mg 0.57660758104310 0.95805758942449 0.14734109409273 24.305 2 Mg 0.95805758942449 0.57660758104310 0.64734109409273 24.305 3 Mg 0.04194241057551 0.42339241895690 0.35265890590727 24.305 4 Mg 0.42339241895690 0.04194241057551 0.85265890590727 24.305 5 Te 0.94478971902896 0.32477972808118 0.05418026895280 127.600 6 Te 0.32477972808118 0.94478971902896 0.55418026895280 127.600 7 Te 0.16499299109106 0.83500700890894 0.25000000000000 127.600 8 Te 0.83500700890894 0.16499299109106 0.75000000000000 127.600 9 Te 0.67522027191882 0.05521028097104 0.44581973104720 127.600 10 Te 0.05521028097104 0.67522027191882 0.94581973104720 127.600 11 O 0.85848485664979 0.98051724031210 0.14360965706622 15.999 12 O 0.98051724031210 0.85848485664979 0.64360965706622 15.999 13 O 0.72529308079716 0.74480349788993 0.47315908630709 15.999 14 O 0.84132482538085 0.55394752776279 0.19324998869723 15.999 15 O 0.74480349788993 0.72529308079716 0.97315908630709 15.999 16 O 0.55394752776279 0.84132482538085 0.69324998869723 15.999 17 O 0.25044436772641 0.97809395742246 0.13510587856842 15.999 18 O 0.97809395742246 0.25044436772641 0.63510587856842 15.999 19 O 0.02190604257754 0.74955563227359 0.36489412143158 15.999 20 O 0.74955563227359 0.02190604257754 0.86489412143158 15.999 21 O 0.44605247223721 0.15867517461915 0.30675001130277 15.999 22 O 0.25519650211007 0.27470691920284 0.02684091369291 15.999 23 O 0.15867517461915 0.44605247223721 0.80675001130277 15.999 24 O 0.27470691920284 0.25519650211007 0.52684091369291 15.999 25 O 0.01948275968790 0.14151514335021 0.35639034293378 15.999 26 O 0.14151514335021 0.01948275968790 0.85639034293378 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.573073010011587 0.000000000000000 0.000000000000000 b 0.000000000000000 10.478813039999999 0.000000000000000 c -1.678449194053011 0.000000000000000 11.404927331241611 Atomic positions (fractional): 1 Mg 0.26733258523379 0.34536250209535 0.14734109409273 24.305 > 1 2 Mg 0.26733258523379 0.84536250209535 0.14734109409273 24.305 > 1 3 Mg 0.26733258523379 0.15463749790465 0.64734109409273 24.305 > 3 4 Mg 0.26733258523379 0.65463749790465 0.64734109409273 24.305 > 3 5 Mg 0.23266741476621 0.09536250209535 0.35265890590727 24.305 > 5 6 Mg 0.23266741476621 0.59536250209535 0.35265890590727 24.305 > 5 7 Mg 0.23266741476621 0.40463749790465 0.85265890590727 24.305 > 7 8 Mg 0.23266741476621 0.90463749790465 0.85265890590727 24.305 > 7 9 Mg 0.76733258523379 0.09536250209535 0.14734109409273 24.305 > 1 10 Mg 0.76733258523379 0.59536250209535 0.14734109409273 24.305 > 1 11 Mg 0.76733258523379 0.40463749790465 0.64734109409273 24.305 > 3 12 Mg 0.76733258523379 0.90463749790465 0.64734109409273 24.305 > 3 13 Mg 0.73266741476621 0.34536250209535 0.35265890590727 24.305 > 5 14 Mg 0.73266741476621 0.84536250209535 0.35265890590727 24.305 > 5 15 Mg 0.73266741476621 0.15463749790465 0.85265890590727 24.305 > 7 16 Mg 0.73266741476621 0.65463749790465 0.85265890590727 24.305 > 7 17 Te 0.13478472355507 0.09499750226305 0.05418026895280 127.600 > 17 18 Te 0.13478472355507 0.59499750226305 0.05418026895280 127.600 > 17 19 Te 0.13478472355507 0.40500249773695 0.55418026895280 127.600 > 19 20 Te 0.13478472355507 0.90500249773695 0.55418026895280 127.600 > 19 21 Te 0.00000000000000 0.41750350445447 0.25000000000000 127.600 > 21 22 Te 0.00000000000000 0.91750350445447 0.25000000000000 127.600 > 21 23 Te 0.00000000000000 0.08249649554553 0.75000000000000 127.600 > 23 24 Te 0.00000000000000 0.58249649554553 0.75000000000000 127.600 > 23 25 Te 0.36521527644493 0.34499750226305 0.44581973104720 127.600 > 25 26 Te 0.36521527644493 0.84499750226305 0.44581973104720 127.600 > 25 27 Te 0.36521527644493 0.15500249773695 0.94581973104720 127.600 > 27 28 Te 0.36521527644493 0.65500249773695 0.94581973104720 127.600 > 27 29 Te 0.63478472355507 0.34499750226305 0.05418026895280 127.600 > 17 30 Te 0.63478472355507 0.84499750226305 0.05418026895280 127.600 > 17 31 Te 0.63478472355507 0.15500249773695 0.55418026895280 127.600 > 19 32 Te 0.63478472355507 0.65500249773695 0.55418026895280 127.600 > 19 33 Te 0.50000000000000 0.16750350445447 0.25000000000000 127.600 > 21 34 Te 0.50000000000000 0.66750350445447 0.25000000000000 127.600 > 21 35 Te 0.50000000000000 0.33249649554553 0.75000000000000 127.600 > 23 36 Te 0.50000000000000 0.83249649554553 0.75000000000000 127.600 > 23 37 Te 0.86521527644493 0.09499750226305 0.44581973104720 127.600 > 25 38 Te 0.86521527644493 0.59499750226305 0.44581973104720 127.600 > 25 39 Te 0.86521527644493 0.40500249773695 0.94581973104720 127.600 > 27 40 Te 0.86521527644493 0.90500249773695 0.94581973104720 127.600 > 27 41 O 0.41950104848094 0.28050809591558 0.14360965706622 15.999 > 41 42 O 0.41950104848094 0.78050809591558 0.14360965706622 15.999 > 41 43 O 0.41950104848094 0.21949190408442 0.64360965706622 15.999 > 43 44 O 0.41950104848094 0.71949190408442 0.64360965706622 15.999 > 43 45 O 0.23504828934355 0.25487760427319 0.47315908630709 15.999 > 45 46 O 0.23504828934355 0.75487760427319 0.47315908630709 15.999 > 45 47 O 0.19763617657182 0.17815567559549 0.19324998869723 15.999 > 47 48 O 0.19763617657182 0.67815567559549 0.19324998869723 15.999 > 47 49 O 0.23504828934355 0.24512239572681 0.97315908630709 15.999 > 49 50 O 0.23504828934355 0.74512239572681 0.97315908630709 15.999 > 49 51 O 0.19763617657182 0.32184432440451 0.69324998869723 15.999 > 51 52 O 0.19763617657182 0.82184432440451 0.69324998869723 15.999 > 51 53 O 0.11426916257444 0.43191239742401 0.13510587856842 15.999 > 53 54 O 0.11426916257444 0.93191239742401 0.13510587856842 15.999 > 53 55 O 0.11426916257444 0.06808760257599 0.63510587856842 15.999 > 55 56 O 0.11426916257444 0.56808760257599 0.63510587856842 15.999 > 55 57 O 0.38573083742556 0.18191239742401 0.36489412143158 15.999 > 57 58 O 0.38573083742556 0.68191239742401 0.36489412143158 15.999 > 57 59 O 0.38573083742556 0.31808760257599 0.86489412143158 15.999 > 59 60 O 0.38573083742556 0.81808760257599 0.86489412143158 15.999 > 59 61 O 0.30236382342818 0.42815567559549 0.30675001130277 15.999 > 61 62 O 0.30236382342818 0.92815567559549 0.30675001130277 15.999 > 61 63 O 0.26495171065645 0.00487760427319 0.02684091369291 15.999 > 63 64 O 0.26495171065645 0.50487760427319 0.02684091369291 15.999 > 63 65 O 0.30236382342818 0.07184432440451 0.80675001130277 15.999 > 65 66 O 0.30236382342818 0.57184432440451 0.80675001130277 15.999 > 65 67 O 0.26495171065645 0.49512239572681 0.52684091369291 15.999 > 67 68 O 0.26495171065645 0.99512239572681 0.52684091369291 15.999 > 67 69 O 0.08049895151906 0.03050809591558 0.35639034293378 15.999 > 69 70 O 0.08049895151906 0.53050809591558 0.35639034293378 15.999 > 69 71 O 0.08049895151906 0.46949190408442 0.85639034293378 15.999 > 71 72 O 0.08049895151906 0.96949190408442 0.85639034293378 15.999 > 71 73 O 0.91950104848094 0.03050809591558 0.14360965706622 15.999 > 41 74 O 0.91950104848094 0.53050809591558 0.14360965706622 15.999 > 41 75 O 0.91950104848094 0.46949190408442 0.64360965706622 15.999 > 43 76 O 0.91950104848094 0.96949190408442 0.64360965706622 15.999 > 43 77 O 0.73504828934355 0.00487760427319 0.47315908630709 15.999 > 45 78 O 0.73504828934355 0.50487760427319 0.47315908630709 15.999 > 45 79 O 0.69763617657182 0.42815567559549 0.19324998869723 15.999 > 47 80 O 0.69763617657182 0.92815567559549 0.19324998869723 15.999 > 47 81 O 0.73504828934355 0.49512239572681 0.97315908630709 15.999 > 49 82 O 0.73504828934355 0.99512239572681 0.97315908630709 15.999 > 49 83 O 0.69763617657182 0.07184432440451 0.69324998869723 15.999 > 51 84 O 0.69763617657182 0.57184432440451 0.69324998869723 15.999 > 51 85 O 0.61426916257444 0.18191239742401 0.13510587856842 15.999 > 53 86 O 0.61426916257444 0.68191239742401 0.13510587856842 15.999 > 53 87 O 0.61426916257444 0.31808760257599 0.63510587856842 15.999 > 55 88 O 0.61426916257444 0.81808760257599 0.63510587856842 15.999 > 55 89 O 0.88573083742556 0.43191239742401 0.36489412143158 15.999 > 57 90 O 0.88573083742556 0.93191239742401 0.36489412143158 15.999 > 57 91 O 0.88573083742556 0.06808760257599 0.86489412143158 15.999 > 59 92 O 0.88573083742556 0.56808760257599 0.86489412143158 15.999 > 59 93 O 0.80236382342818 0.17815567559549 0.30675001130277 15.999 > 61 94 O 0.80236382342818 0.67815567559549 0.30675001130277 15.999 > 61 95 O 0.76495171065645 0.25487760427319 0.02684091369291 15.999 > 63 96 O 0.76495171065645 0.75487760427319 0.02684091369291 15.999 > 63 97 O 0.80236382342818 0.32184432440451 0.80675001130277 15.999 > 65 98 O 0.80236382342818 0.82184432440451 0.80675001130277 15.999 > 65 99 O 0.76495171065645 0.24512239572681 0.52684091369291 15.999 > 67 100 O 0.76495171065645 0.74512239572681 0.52684091369291 15.999 > 67 101 O 0.58049895151906 0.28050809591558 0.35639034293378 15.999 > 69 102 O 0.58049895151906 0.78050809591558 0.35639034293378 15.999 > 69 103 O 0.58049895151906 0.21949190408442 0.85639034293378 15.999 > 71 104 O 0.58049895151906 0.71949190408442 0.85639034293378 15.999 > 71 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.1655414 0.0000000 -0.4346106 0.0000000 3.5817694 0.0000000 -0.4346125 0.0000000 4.4511878 -------------------------- Born effective charges -------------------------- 1 Mg 2.0845405 -0.2863582 0.0021458 -0.3434047 2.4254033 -0.0977835 0.2639881 0.3626640 2.1809077 2 Mg 2.0845405 0.2863582 0.0021458 0.3434047 2.4254033 0.0977835 0.2639881 -0.3626640 2.1809077 3 Mg 2.0845405 0.2863582 0.0021458 0.3434047 2.4254033 0.0977835 0.2639881 -0.3626640 2.1809077 4 Mg 2.0845405 -0.2863582 0.0021458 -0.3434047 2.4254033 -0.0977835 0.2639881 0.3626640 2.1809077 5 Te 3.7933564 1.7657926 -0.7002151 1.1836262 3.5366430 0.1324030 -0.5621343 -0.4020701 4.4596073 6 Te 3.7933564 -1.7657926 -0.7002151 -1.1836262 3.5366430 -0.1324030 -0.5621343 0.4020701 4.4596073 7 Te 4.8352235 0.0000000 -1.5519375 0.0000000 1.3318176 0.0000000 -1.2006678 0.0000000 5.0019194 8 Te 4.8352235 0.0000000 -1.5519375 0.0000000 1.3318176 0.0000000 -1.2006678 0.0000000 5.0019194 9 Te 3.7933564 -1.7657926 -0.7002151 -1.1836262 3.5366430 -0.1324030 -0.5621343 0.4020701 4.4596073 10 Te 3.7933564 1.7657926 -0.7002151 1.1836262 3.5366430 0.1324030 -0.5621343 -0.4020701 4.4596073 11 O -1.9374582 0.2946293 -0.4331784 0.0524737 -1.0996022 -0.2200442 -0.4806075 0.3657068 -2.6453609 12 O -1.9374582 -0.2946293 -0.4331784 -0.0524737 -1.0996022 0.2200442 -0.4806075 -0.3657068 -2.6453609 13 O -2.6428631 0.2612328 0.5263041 0.3911515 -1.9334505 -0.2645826 0.9839710 -0.3422343 -1.6562911 14 O -1.2828557 -0.2722432 -0.0771763 -0.4438077 -1.7057786 -0.6247209 -0.5631072 -0.2346268 -2.4541160 15 O -2.6428631 -0.2612328 0.5263041 -0.3911515 -1.9334505 0.2645826 0.9839710 0.3422343 -1.6562911 16 O -1.2828557 0.2722432 -0.0771763 0.4438077 -1.7057786 0.6247209 -0.5631072 0.2346268 -2.4541160 17 O -2.4323318 -1.1678591 1.4580887 -0.2073319 -1.8891237 0.8050294 0.9582237 1.0947245 -2.3857066 18 O -2.4323318 1.1678591 1.4580887 0.2073319 -1.8891237 -0.8050294 0.9582237 -1.0947245 -2.3857066 19 O -2.4323318 1.1678591 1.4580887 0.2073319 -1.8891237 -0.8050294 0.9582237 -1.0947245 -2.3857066 20 O -2.4323318 -1.1678591 1.4580887 -0.2073319 -1.8891237 0.8050294 0.9582237 1.0947245 -2.3857066 21 O -1.2828557 0.2722432 -0.0771763 0.4438077 -1.7057786 0.6247209 -0.5631072 0.2346268 -2.4541160 22 O -2.6428631 -0.2612328 0.5263041 -0.3911515 -1.9334505 0.2645826 0.9839710 0.3422343 -1.6562911 23 O -1.2828557 -0.2722432 -0.0771763 -0.4438077 -1.7057786 -0.6247209 -0.5631072 -0.2346268 -2.4541160 24 O -2.6428631 0.2612328 0.5263041 0.3911515 -1.9334505 -0.2645826 0.9839710 -0.3422343 -1.6562911 25 O -1.9374582 -0.2946293 -0.4331784 -0.0524737 -1.0996022 0.2200442 -0.4806075 -0.3657068 -2.6453609 26 O -1.9374582 0.2946293 -0.4331784 0.0524737 -1.0996022 -0.2200442 -0.4806075 0.3657068 -2.6453609 ---------------------------------------------------------------------------- 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 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 4 ] 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: 0.58, Number of G-points: 277, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/117) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 117 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 2.019 ( 0.000 0.000 0.000) 0.000 2.068 ( 0.000 0.000 0.000) 0.000 2.068 ( 0.000 0.000 0.000) 0.000 2.648 ( 0.000 0.000 0.000) 0.000 2.659 ( 0.000 0.000 0.000) 0.000 3.243 ( 0.000 0.000 0.000) 0.000 3.276 ( 0.000 0.000 0.000) 0.000 3.553 ( 0.000 0.000 0.000) 0.000 3.615 ( 0.000 0.000 0.000) 0.000 3.693 ( 0.000 0.000 0.000) 0.000 3.729 ( 0.000 0.000 0.000) 0.000 3.802 ( 0.000 0.000 0.000) 0.000 4.217 ( 0.000 0.000 0.000) 0.000 4.573 ( 0.000 0.000 0.000) 0.000 4.699 ( 0.000 0.000 0.000) 0.000 5.199 ( 0.000 0.000 0.000) 0.000 5.475 ( 0.000 0.000 0.000) 0.000 5.534 ( 0.000 0.000 0.000) 0.000 5.567 ( 0.000 0.000 0.000) 0.000 5.618 ( 0.000 0.000 0.000) 0.000 6.015 ( 0.000 0.000 0.000) 0.000 6.301 ( 0.000 0.000 0.000) 0.000 6.375 ( 0.000 0.000 0.000) 0.000 6.925 ( 0.000 0.000 0.000) 0.000 7.100 ( 0.000 0.000 0.000) 0.000 7.352 ( 0.000 0.000 0.000) 0.000 7.523 ( 0.000 0.000 0.000) 0.000 7.814 ( 0.000 0.000 0.000) 0.000 8.263 ( 0.000 0.000 0.000) 0.000 8.627 ( 0.000 0.000 0.000) 0.000 8.740 ( 0.000 0.000 0.000) 0.000 8.759 ( 0.000 0.000 0.000) 0.000 8.777 ( 0.000 0.000 0.000) 0.000 9.486 ( 0.000 0.000 0.000) 0.000 9.641 ( 0.000 0.000 0.000) 0.000 9.715 ( 0.000 0.000 0.000) 0.000 10.085 ( 0.000 0.000 0.000) 0.000 10.165 ( 0.000 0.000 0.000) 0.000 10.333 ( 0.000 0.000 0.000) 0.000 10.415 ( 0.000 0.000 0.000) 0.000 10.513 ( 0.000 0.000 0.000) 0.000 10.741 ( 0.000 0.000 0.000) 0.000 10.808 ( 0.000 0.000 0.000) 0.000 10.880 ( 0.000 0.000 0.000) 0.000 11.286 ( 0.000 0.000 0.000) 0.000 11.597 ( 0.000 0.000 0.000) 0.000 11.674 ( 0.000 0.000 0.000) 0.000 11.809 ( 0.000 0.000 0.000) 0.000 12.060 ( 0.000 0.000 0.000) 0.000 12.252 ( 0.000 0.000 0.000) 0.000 12.827 ( 0.000 0.000 0.000) 0.000 14.186 ( 0.000 0.000 0.000) 0.000 14.227 ( 0.000 0.000 0.000) 0.000 14.621 ( 0.000 0.000 0.000) 0.000 15.059 ( 0.000 0.000 0.000) 0.000 15.241 ( 0.000 0.000 0.000) 0.000 15.268 ( 0.000 0.000 0.000) 0.000 15.693 ( 0.000 0.000 0.000) 0.000 15.838 ( 0.000 0.000 0.000) 0.000 16.153 ( 0.000 0.000 0.000) 0.000 16.626 ( 0.000 0.000 0.000) 0.000 17.173 ( 0.000 0.000 0.000) 0.000 18.158 ( 0.000 0.000 0.000) 0.000 18.268 ( 0.000 0.000 0.000) 0.000 18.279 ( 0.000 0.000 0.000) 0.000 18.681 ( 0.000 0.000 0.000) 0.000 19.444 ( 0.000 0.000 0.000) 0.000 20.267 ( 0.000 0.000 0.000) 0.000 20.579 ( 0.000 0.000 0.000) 0.000 21.435 ( 0.000 0.000 0.000) 0.000 21.551 ( 0.000 0.000 0.000) 0.000 22.021 ( 0.000 0.000 0.000) 0.000 22.039 ( 0.000 0.000 0.000) 0.000 22.123 ( 0.000 0.000 0.000) 0.000 22.899 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/117) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.349 ( 23.380 -8.448 -2.339) 24.969 0.542 ( 12.373 -22.322 2.154) 25.613 0.885 ( 10.069 -39.013 2.228) 40.353 2.019 ( 4.085 0.192 1.123) 4.241 2.077 ( 1.485 -5.205 -3.954) 6.703 2.281 ( 1.790 -13.325 -0.206) 13.446 2.575 ( -13.963 -1.397 15.178) 20.671 2.755 ( 9.571 -1.232 -11.108) 14.715 3.205 ( -2.821 1.716 -3.235) 4.622 3.291 ( 4.087 1.738 4.155) 6.081 3.531 ( -1.151 1.848 -3.201) 3.871 3.642 ( -1.218 -3.400 -1.492) 3.908 3.680 ( -2.565 0.918 1.139) 2.953 3.719 ( 3.679 2.030 0.376) 4.218 3.937 ( 12.923 0.896 3.638) 13.455 4.282 ( 0.534 -2.667 -0.767) 2.826 4.534 ( 4.243 4.372 -3.471) 7.012 4.876 ( 14.904 0.520 -2.866) 15.186 5.297 ( -1.841 1.304 -0.668) 2.352 5.440 ( -7.641 6.078 16.138) 18.861 5.542 ( 1.360 0.891 -1.880) 2.486 5.571 ( 3.728 0.199 -0.245) 3.742 5.640 ( 12.258 4.216 3.548) 13.440 6.110 ( 15.887 -0.064 -18.684) 24.525 6.354 ( -1.392 -4.817 11.958) 12.967 6.418 ( 6.875 0.546 -13.467) 15.130 6.899 ( -0.826 1.988 1.608) 2.687 7.211 ( -1.324 8.217 -2.510) 8.693 7.500 ( -3.665 -1.269 9.423) 10.190 7.717 ( -0.107 6.453 -7.098) 9.594 7.728 ( 4.905 -3.061 -15.041) 16.114 8.310 ( -3.225 -3.596 7.857) 9.223 8.595 ( -4.176 5.044 2.017) 6.852 8.715 ( 1.192 4.670 -0.923) 4.907 8.805 ( -1.268 -4.179 -4.081) 5.977 9.146 ( 8.176 -0.210 -14.103) 16.303 9.539 ( 0.303 -5.706 -2.190) 6.120 9.584 ( -2.031 4.922 2.075) 5.715 9.664 ( 1.961 5.140 -1.633) 5.739 10.010 ( -6.577 4.685 0.691) 8.105 10.174 ( -12.903 2.694 -0.916) 13.213 10.343 ( 2.411 1.894 -0.055) 3.066 10.506 ( -25.854 -0.956 6.777) 26.744 10.610 ( -1.138 4.120 -1.021) 4.395 10.699 ( -0.735 -8.654 2.479) 9.032 10.912 ( 2.616 -2.667 -7.311) 8.210 11.042 ( 25.304 0.839 -10.276) 27.324 11.378 ( -1.971 -8.210 -0.488) 8.458 11.634 ( -1.782 1.996 0.522) 2.726 11.785 ( -4.184 -3.729 -0.171) 5.607 12.056 ( -1.162 -2.052 1.884) 3.018 12.190 ( 4.482 0.496 -2.504) 5.158 12.296 ( 8.256 -3.511 -2.920) 9.435 12.822 ( 4.194 4.483 1.379) 6.292 14.213 ( -1.476 -3.332 0.088) 3.646 14.609 ( -2.020 0.766 3.389) 4.019 14.808 ( -19.700 -5.084 -2.179) 20.462 15.137 ( 12.101 7.970 -2.852) 14.768 15.295 ( -0.206 -2.129 0.518) 2.201 15.602 ( 0.525 4.807 -1.479) 5.057 15.776 ( -1.637 5.593 1.391) 5.992 16.277 ( -2.228 -10.272 5.735) 11.974 16.468 ( 28.151 4.694 -41.407) 50.290 16.547 ( -21.562 -2.866 3.926) 22.103 17.602 ( 22.131 4.370 -27.266) 35.388 18.217 ( -0.904 -0.935 0.411) 1.364 18.228 ( -5.494 2.443 6.181) 8.623 18.288 ( -4.848 -7.025 3.276) 9.142 18.781 ( 13.489 -2.474 -12.323) 18.437 19.821 ( -16.924 -8.298 -32.991) 37.996 20.280 ( 0.025 -1.256 0.966) 1.585 20.790 ( 29.908 16.075 59.213) 68.258 21.433 ( 0.283 0.734 3.405) 3.495 21.533 ( 1.038 2.146 -0.770) 2.505 21.989 ( -0.838 3.923 -0.034) 4.012 22.138 ( -1.183 -2.629 1.140) 3.101 22.544 ( -9.909 -2.381 8.364) 13.184 22.810 ( -0.208 8.544 -1.948) 8.766 ======================= Grid point 2 (3/117) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( 13.300 -12.126 -2.340) 18.149 1.037 ( 11.470 -18.868 1.130) 22.109 1.585 ( 7.750 -24.582 3.623) 26.028 2.109 ( 5.757 -4.632 -0.003) 7.389 2.208 ( 3.257 -6.581 -4.213) 8.466 2.498 ( -8.387 -9.242 5.311) 13.563 2.612 ( 1.543 -8.263 6.369) 10.546 2.874 ( 9.621 -5.445 -8.027) 13.661 3.145 ( -1.763 2.123 -3.994) 4.854 3.284 ( 1.654 1.892 4.724) 5.350 3.490 ( -1.564 0.797 -2.358) 2.940 3.615 ( -3.072 3.143 1.714) 4.717 3.691 ( 0.715 0.395 -0.583) 1.004 3.758 ( 1.415 -6.468 -1.771) 6.854 4.033 ( 6.194 -2.356 4.737) 8.146 4.353 ( 1.630 -3.368 -1.816) 4.159 4.494 ( 4.346 2.597 -5.288) 7.321 4.955 ( -4.752 -2.440 2.146) 5.757 5.238 ( 4.134 4.035 3.290) 6.648 5.305 ( -3.891 3.138 3.684) 6.209 5.523 ( 5.348 2.906 -4.513) 7.577 5.610 ( 4.418 -0.397 -2.204) 4.954 5.676 ( 6.413 -0.225 6.211) 8.931 6.242 ( 6.927 -4.522 -2.338) 8.597 6.381 ( 4.530 3.178 1.289) 5.681 6.561 ( 3.066 -10.726 -8.008) 13.732 6.869 ( 0.060 0.232 3.941) 3.949 7.061 ( 1.418 7.171 -2.851) 7.846 7.435 ( 1.944 13.468 -5.339) 14.617 7.527 ( -2.429 1.869 0.098) 3.066 7.796 ( 0.400 0.056 -1.939) 1.980 8.285 ( -4.805 3.322 3.495) 6.807 8.547 ( -2.823 1.689 1.471) 3.603 8.660 ( 2.838 -0.168 1.782) 3.355 8.873 ( 0.119 -3.496 -5.166) 6.239 9.109 ( 1.904 5.150 -6.047) 8.168 9.443 ( -6.252 6.193 5.470) 10.361 9.518 ( -0.688 6.436 -3.328) 7.279 9.700 ( -4.103 -4.637 -1.323) 6.331 9.838 ( -2.096 8.731 -5.543) 10.552 10.050 ( -12.021 -3.816 4.895) 13.529 10.267 ( -13.309 5.656 8.878) 16.969 10.331 ( -8.372 -0.198 -7.379) 11.162 10.534 ( 3.810 3.114 0.234) 4.927 10.896 ( -7.359 -12.225 -0.803) 14.291 11.016 ( 5.146 -5.270 -8.558) 11.291 11.208 ( 18.108 -0.785 -1.527) 18.189 11.466 ( -4.862 -2.307 -0.028) 5.382 11.627 ( -5.498 -4.763 -0.219) 7.278 11.846 ( 3.774 -3.458 2.197) 5.570 12.102 ( -2.708 -1.609 3.161) 4.462 12.184 ( -5.196 -3.023 0.706) 6.052 12.459 ( 7.295 -5.465 -1.893) 9.310 12.750 ( 7.210 7.676 1.519) 10.640 14.294 ( -1.049 -5.982 0.984) 6.153 14.571 ( -4.030 0.633 4.433) 6.024 14.756 ( -4.559 0.025 -0.957) 4.659 15.049 ( 3.551 7.628 -0.859) 8.458 15.292 ( 8.988 4.310 -3.390) 10.528 15.586 ( -5.278 0.244 3.165) 6.159 15.654 ( -5.323 -1.075 2.740) 6.082 16.409 ( -6.253 -3.660 6.098) 9.470 16.500 ( -4.916 -6.180 -8.274) 11.438 16.588 ( 4.162 -6.565 -14.250) 16.232 17.677 ( 25.877 5.377 -16.617) 31.219 18.102 ( -6.423 5.819 8.359) 12.041 18.176 ( 0.544 3.870 0.048) 3.908 18.428 ( -8.756 -9.832 10.262) 16.692 18.962 ( 12.646 -6.100 -11.563) 18.189 19.791 ( -8.626 -1.853 -14.048) 16.589 20.312 ( -0.159 -1.720 1.464) 2.264 20.793 ( 13.898 7.061 25.721) 30.076 21.428 ( 0.566 0.164 1.530) 1.640 21.489 ( 1.516 3.216 -1.092) 3.720 21.888 ( -2.719 5.067 -0.350) 5.761 22.179 ( -1.377 -2.475 2.081) 3.515 22.498 ( -4.742 2.672 0.956) 5.526 22.610 ( -0.069 9.849 -2.371) 10.130 ======================= Grid point 3 (4/117) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 5.399 -14.150 -2.824) 15.406 1.432 ( 9.564 -13.421 -0.455) 16.486 1.921 ( 0.463 -7.718 6.738) 10.256 2.235 ( 0.032 -5.479 -2.226) 5.914 2.391 ( 8.865 -7.791 1.359) 11.880 2.641 ( -0.385 -9.515 2.020) 9.735 2.792 ( 2.174 -7.945 -0.558) 8.256 3.067 ( 9.748 -2.060 -5.884) 11.571 3.105 ( -0.410 -2.413 -3.362) 4.158 3.247 ( -0.706 2.342 1.884) 3.088 3.461 ( -2.194 1.344 -1.649) 3.056 3.543 ( -2.748 1.832 5.174) 6.138 3.664 ( 1.896 2.761 3.176) 4.616 3.935 ( -0.175 -10.119 -6.466) 12.009 4.147 ( 4.561 -4.492 5.968) 8.752 4.391 ( -1.378 -0.542 -2.895) 3.252 4.504 ( 5.242 0.150 -4.983) 7.234 4.874 ( -13.944 1.157 8.409) 16.324 5.269 ( 3.320 0.305 1.187) 3.540 5.301 ( 10.228 -3.352 -0.834) 10.795 5.509 ( 6.761 2.947 -6.012) 9.516 5.670 ( 4.752 -2.048 -1.734) 5.457 5.764 ( 3.568 -4.517 6.692) 8.827 6.314 ( 0.010 1.897 7.303) 7.545 6.392 ( 6.537 -1.645 -7.698) 10.232 6.678 ( -3.850 1.583 -2.650) 4.934 6.932 ( 3.040 -0.247 -1.694) 3.488 6.944 ( 1.025 4.947 -1.193) 5.191 7.193 ( 1.755 4.503 1.838) 5.171 7.526 ( 0.205 -0.367 -3.074) 3.103 7.760 ( -3.135 1.396 2.183) 4.067 8.143 ( -4.457 6.280 -0.853) 7.748 8.487 ( 1.569 3.759 0.562) 4.112 8.639 ( -3.632 5.461 1.827) 6.808 8.919 ( 1.982 -2.184 -6.967) 7.566 9.078 ( 0.821 -2.077 -2.714) 3.515 9.287 ( -9.132 4.120 7.450) 12.485 9.377 ( 2.752 8.386 -1.113) 8.896 9.607 ( -2.422 11.260 -10.842) 15.817 9.651 ( -11.038 -0.499 1.855) 11.203 10.041 ( -14.668 5.292 9.347) 18.180 10.214 ( -2.142 -11.535 2.521) 12.000 10.292 ( 0.434 -0.678 -5.671) 5.728 10.535 ( 3.201 0.437 0.422) 3.258 11.034 ( -10.320 -9.457 -0.371) 14.002 11.135 ( 6.839 -2.925 -7.244) 10.383 11.349 ( 13.025 -0.541 -0.931) 13.070 11.441 ( 0.313 1.242 -1.426) 1.917 11.670 ( -11.335 -6.236 -0.412) 12.944 11.958 ( -3.018 -3.299 6.776) 8.118 12.068 ( 0.671 -0.149 0.742) 1.011 12.249 ( -0.993 -4.237 3.689) 5.705 12.571 ( 0.490 -1.415 -1.793) 2.336 12.670 ( 7.755 5.383 0.780) 9.472 14.412 ( 0.880 -5.775 0.743) 5.889 14.556 ( -2.592 -1.807 3.213) 4.506 14.732 ( 0.433 0.764 -0.563) 1.043 14.926 ( 0.651 6.401 -0.240) 6.438 15.283 ( 8.354 3.984 -4.873) 10.460 15.482 ( -8.201 1.178 4.665) 9.508 15.778 ( -3.290 -11.174 4.018) 12.322 16.402 ( -4.994 -1.122 0.202) 5.123 16.604 ( 2.184 -5.186 -8.276) 10.008 16.721 ( -1.160 -6.614 -6.060) 9.045 17.759 ( 20.318 3.944 -11.762) 23.806 17.936 ( -6.609 6.774 10.048) 13.803 18.101 ( 2.286 4.573 -2.207) 5.568 18.523 ( -8.867 -6.072 12.117) 16.196 19.157 ( 10.408 -5.533 -8.439) 14.497 19.718 ( -7.210 1.656 -6.683) 9.969 20.340 ( -0.453 -1.253 1.218) 1.805 20.801 ( 7.923 3.650 12.966) 15.627 21.438 ( 1.554 3.026 -1.989) 3.940 21.445 ( 0.911 -1.197 1.003) 1.808 21.762 ( -3.879 4.934 -0.764) 6.322 22.212 ( -1.374 -1.512 2.526) 3.249 22.334 ( 0.156 9.655 -1.756) 9.815 22.504 ( -2.033 1.907 -1.303) 3.077 ======================= Grid point 4 (5/117) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 1.540 -9.953 -2.674) 10.421 1.695 ( 6.931 -7.414 -1.518) 10.262 1.986 ( -3.101 -1.121 6.244) 7.061 2.317 ( -0.457 -3.524 -1.119) 3.726 2.593 ( 5.481 -5.534 4.432) 8.961 2.826 ( 4.157 -7.386 -3.282) 9.088 2.945 ( -0.898 -6.987 -2.926) 7.628 3.085 ( 4.496 0.344 -3.215) 5.538 3.150 ( 0.144 0.603 1.921) 2.018 3.243 ( 4.378 0.659 -2.840) 5.260 3.384 ( -3.166 3.672 -1.475) 5.068 3.495 ( -2.560 2.581 5.547) 6.632 3.655 ( 0.759 -0.317 3.166) 3.271 4.087 ( -0.833 -7.346 -6.833) 10.068 4.243 ( 1.935 -0.303 4.695) 5.087 4.383 ( -0.378 -0.586 -2.149) 2.259 4.507 ( 2.270 2.777 -1.645) 3.946 4.797 ( -8.569 -2.284 6.117) 10.773 5.350 ( 5.275 -4.207 0.948) 6.813 5.475 ( 15.091 -0.103 0.627) 15.104 5.520 ( 0.622 -5.060 -6.456) 8.226 5.721 ( 0.412 -1.062 0.495) 1.242 5.934 ( 3.698 -8.249 4.411) 10.059 6.282 ( 2.274 1.133 -3.615) 4.419 6.409 ( -9.386 4.620 -0.135) 10.462 6.493 ( 3.573 8.654 0.011) 9.362 6.801 ( -0.611 6.761 -0.939) 6.854 6.901 ( 2.353 3.655 3.534) 5.602 7.338 ( -0.034 -8.992 -1.951) 9.201 7.494 ( -1.359 2.260 -3.534) 4.409 7.733 ( -4.397 -3.160 6.233) 8.256 8.061 ( 1.630 1.814 -2.575) 3.547 8.357 ( -0.777 8.953 1.998) 9.206 8.505 ( -2.470 4.174 -1.466) 5.067 8.999 ( 1.509 -5.085 -5.880) 7.919 9.109 ( -9.387 -3.660 -1.510) 10.188 9.160 ( 1.529 7.131 5.709) 9.262 9.244 ( 4.607 8.027 2.589) 9.611 9.453 ( 1.698 1.592 -10.514) 10.769 9.592 ( -8.220 -0.656 -0.651) 8.272 9.861 ( -6.783 4.765 7.009) 10.855 10.233 ( -3.451 -0.008 -0.898) 3.566 10.479 ( 3.948 -8.315 2.363) 9.503 10.552 ( 0.393 -0.815 -0.274) 0.946 11.078 ( -5.516 -2.350 -1.884) 6.285 11.235 ( 2.180 -4.251 -1.167) 4.917 11.376 ( 0.236 1.873 -2.111) 2.832 11.483 ( 11.639 0.412 -3.632) 12.199 11.691 ( -9.053 -4.759 -0.343) 10.233 11.881 ( -10.491 2.318 6.779) 12.704 12.175 ( 9.208 -2.515 0.688) 9.569 12.313 ( -1.870 -3.135 5.633) 6.712 12.506 ( -1.304 4.568 -4.021) 6.224 12.691 ( 2.847 -0.569 0.428) 2.935 14.521 ( 1.235 -4.730 -0.205) 4.893 14.599 ( -0.525 -2.953 1.371) 3.298 14.727 ( 2.380 1.180 0.998) 2.838 14.818 ( -0.694 4.888 -0.614) 4.975 15.259 ( 2.158 1.932 -2.504) 3.829 15.439 ( -3.422 -0.473 1.650) 3.829 16.001 ( -2.374 -13.045 4.916) 14.141 16.364 ( -0.227 3.218 -2.855) 4.308 16.699 ( 1.971 -3.764 -6.911) 8.113 16.792 ( -2.160 -2.612 -1.298) 3.629 17.778 ( -5.554 3.192 7.667) 9.991 17.809 ( 10.872 5.012 -4.287) 12.716 18.055 ( 4.153 2.104 -5.533) 7.231 18.553 ( -6.433 -2.488 9.081) 11.403 19.318 ( 8.572 -4.474 -4.571) 10.695 19.601 ( -7.443 3.670 -2.385) 8.634 20.354 ( -0.441 -0.499 0.560) 0.870 20.808 ( 3.802 1.700 5.552) 6.940 21.397 ( 0.744 1.906 -0.868) 2.223 21.489 ( 1.192 -2.131 -0.441) 2.482 21.653 ( -2.914 3.161 -0.580) 4.338 22.157 ( 0.083 5.642 0.247) 5.648 22.253 ( -0.228 -0.466 0.921) 1.057 22.462 ( -1.202 1.079 -1.240) 2.037 ======================= Grid point 5 (6/117) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 0.000 -0.000 0.000) 0.000 1.805 ( -0.000 -0.000 -0.000) 0.000 1.975 ( -0.000 -0.000 -0.000) 0.000 2.351 ( 0.000 -0.000 0.000) 0.000 2.672 ( 0.000 -0.000 0.000) 0.000 2.924 ( 0.000 -0.000 0.000) 0.000 3.012 ( 0.000 -0.000 -0.000) 0.000 3.097 ( -0.000 -0.000 0.000) 0.000 3.172 ( 0.000 -0.000 0.000) 0.000 3.237 ( 0.000 -0.000 -0.000) 0.000 3.318 ( -0.000 -0.000 -0.000) 0.000 3.448 ( -0.000 -0.000 0.000) 0.000 3.666 ( 0.000 -0.000 0.000) 0.000 4.185 ( -0.000 -0.000 -0.000) 0.000 4.214 ( 0.000 0.000 0.000) 0.000 4.393 ( -0.000 -0.000 -0.000) 0.000 4.475 ( -0.000 -0.000 0.000) 0.000 4.799 ( 0.000 -0.000 0.000) 0.000 5.458 ( -0.000 0.000 -0.000) 0.000 5.466 ( 0.000 -0.000 0.000) 0.000 5.659 ( 0.000 -0.000 -0.000) 0.000 5.724 ( 0.000 -0.000 -0.000) 0.000 6.117 ( 0.000 -0.001 0.001) 0.001 6.123 ( -0.000 0.001 -0.001) 0.001 6.379 ( -0.000 -0.000 -0.000) 0.000 6.407 ( 0.000 0.000 0.000) 0.000 6.721 ( -0.000 -0.000 -0.000) 0.000 6.877 ( 0.000 -0.000 0.000) 0.000 7.390 ( 0.000 0.000 -0.000) 0.000 7.468 ( -0.000 -0.000 0.000) 0.000 7.872 ( 0.000 -0.000 -0.000) 0.000 7.937 ( 0.000 -0.000 0.000) 0.000 8.318 ( 0.000 -0.000 -0.000) 0.000 8.418 ( -0.000 0.000 -0.000) 0.000 9.041 ( -0.000 -0.000 0.000) 0.000 9.107 ( -0.000 -0.000 0.000) 0.000 9.128 ( 0.000 -0.000 -0.000) 0.000 9.158 ( 0.000 0.000 0.000) 0.000 9.482 ( 0.000 -0.000 -0.000) 0.000 9.535 ( -0.000 -0.000 0.000) 0.000 9.793 ( -0.000 -0.000 0.000) 0.000 10.218 ( -0.000 -0.000 -0.000) 0.000 10.547 ( 0.000 -0.000 0.000) 0.000 10.598 ( -0.000 -0.000 0.000) 0.000 11.070 ( 0.000 -0.000 -0.000) 0.000 11.312 ( -0.000 -0.000 0.000) 0.000 11.329 ( 0.000 -0.000 -0.000) 0.000 11.533 ( 0.000 -0.000 0.000) 0.000 11.707 ( 0.000 -0.000 -0.000) 0.000 11.800 ( 0.000 -0.000 0.000) 0.000 12.244 ( -0.000 -0.000 0.000) 0.000 12.352 ( -0.000 -0.000 -0.000) 0.000 12.432 ( 0.000 -0.000 0.000) 0.000 12.708 ( -0.000 -0.000 0.000) 0.000 14.586 ( -0.000 -0.000 0.000) 0.000 14.634 ( 0.000 -0.000 -0.000) 0.000 14.731 ( -0.000 0.000 -0.000) 0.000 14.744 ( 0.000 -0.000 0.000) 0.000 15.248 ( -0.000 -0.000 0.000) 0.000 15.432 ( 0.000 -0.000 -0.000) 0.000 16.176 ( -0.000 -0.000 0.000) 0.000 16.285 ( 0.000 0.000 -0.000) 0.000 16.747 ( 0.000 -0.000 -0.000) 0.000 16.799 ( -0.000 -0.000 0.000) 0.000 17.719 ( -0.000 -0.000 0.000) 0.000 17.801 ( 0.000 -0.000 -0.000) 0.000 18.056 ( 0.000 -0.000 -0.000) 0.000 18.553 ( -0.000 -0.000 -0.000) 0.000 19.458 ( -0.000 0.000 0.000) 0.000 19.466 ( 0.000 -0.000 -0.000) 0.000 20.357 ( 0.000 -0.000 0.000) 0.000 20.810 ( 0.000 -0.000 0.000) 0.000 21.380 ( 0.000 -0.000 0.000) 0.000 21.523 ( -0.000 -0.000 0.000) 0.000 21.605 ( 0.000 -0.000 0.000) 0.000 22.099 ( -0.000 -0.000 -0.000) 0.000 22.260 ( 0.000 -0.000 -0.000) 0.000 22.445 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/117) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.350 ( 20.427 -0.000 1.703) 20.498 0.469 ( 29.431 -0.000 0.586) 29.437 0.690 ( 41.601 -0.000 4.589) 41.853 2.050 ( 2.608 -0.000 8.668) 9.052 2.102 ( 5.280 -0.000 -9.495) 10.865 2.140 ( 8.696 -0.000 -10.249) 13.441 2.453 ( -13.761 0.000 19.516) 23.879 2.796 ( 6.178 -0.000 -8.962) 10.885 3.204 ( -1.805 0.000 -2.268) 2.898 3.353 ( 6.365 -0.000 4.001) 7.518 3.481 ( -9.422 0.000 -7.351) 11.950 3.598 ( -1.838 0.000 -3.002) 3.520 3.683 ( -0.766 0.000 3.451) 3.535 3.735 ( 0.997 -0.000 -0.501) 1.116 4.160 ( 8.229 -0.000 9.777) 12.779 4.235 ( 2.939 -0.000 -2.824) 4.076 4.520 ( -4.635 0.000 -9.049) 10.167 5.184 ( 0.510 -0.000 -2.790) 2.837 5.249 ( 5.662 -0.000 1.371) 5.826 5.523 ( -12.617 0.000 26.184) 29.065 5.534 ( -0.159 0.000 2.061) 2.067 5.608 ( 3.486 -0.000 -1.879) 3.960 5.800 ( -0.781 0.000 22.841) 22.854 6.275 ( -3.834 0.000 15.326) 15.798 6.444 ( 8.683 -0.000 -15.220) 17.522 6.725 ( 1.222 -0.000 -13.444) 13.500 6.953 ( 1.917 -0.000 4.123) 4.546 7.112 ( 1.091 -0.000 4.153) 4.294 7.370 ( 1.252 -0.000 5.559) 5.698 7.678 ( 4.819 -0.000 -52.862) 53.081 7.801 ( -0.796 0.000 -7.531) 7.573 8.240 ( -5.087 0.000 16.635) 17.395 8.597 ( -3.734 0.000 6.898) 7.844 8.731 ( -0.960 0.000 -5.451) 5.535 8.799 ( 5.391 -0.000 -10.841) 12.108 9.192 ( 0.084 -0.000 -35.157) 35.157 9.489 ( 0.376 -0.000 -1.812) 1.850 9.604 ( -7.999 0.000 4.606) 9.231 9.736 ( 2.666 -0.000 -6.529) 7.052 9.893 ( -21.106 0.000 6.746) 22.158 10.123 ( -3.423 0.000 -5.495) 6.474 10.278 ( -14.103 0.000 -5.336) 15.078 10.454 ( -1.761 0.000 12.899) 13.019 10.469 ( -4.995 0.000 -2.835) 5.743 10.800 ( -9.036 0.000 14.994) 17.506 10.882 ( 6.503 -0.000 4.633) 7.985 11.112 ( 1.948 -0.000 -44.477) 44.519 11.263 ( -4.185 0.000 -2.841) 5.059 11.673 ( 9.581 -0.000 -0.670) 9.604 11.813 ( 9.750 -0.000 -5.753) 11.320 11.996 ( -2.775 0.000 4.865) 5.601 12.194 ( -5.860 0.000 -2.900) 6.538 12.496 ( 9.112 -0.000 -18.198) 20.352 12.901 ( 7.837 -0.000 3.181) 8.458 14.202 ( -3.042 0.000 -0.366) 3.064 14.404 ( 2.783 -0.000 -28.148) 28.286 14.633 ( 0.341 -0.000 5.692) 5.702 15.225 ( -1.022 0.000 1.237) 1.604 15.313 ( 4.044 -0.000 1.034) 4.174 15.690 ( 0.436 -0.000 4.021) 4.044 15.841 ( 0.341 -0.000 0.045) 0.344 16.115 ( -9.580 0.000 1.442) 9.688 16.288 ( -23.045 0.000 12.740) 26.332 17.139 ( 24.465 -0.000 -168.143) 169.914 17.560 ( 33.281 -0.000 -8.765) 34.416 18.149 ( -1.166 0.000 -0.025) 1.167 18.267 ( -1.487 0.000 0.787) 1.682 18.278 ( 1.515 -0.000 -0.091) 1.518 18.893 ( 9.127 -0.000 -45.187) 46.100 19.450 ( 1.250 -0.000 -2.221) 2.549 20.268 ( 0.047 -0.000 0.330) 0.333 21.408 ( 1.732 -0.000 -6.074) 6.316 21.552 ( 0.040 -0.000 0.723) 0.724 21.931 ( -20.264 0.000 121.313) 122.993 22.027 ( 0.345 -0.000 -0.455) 0.571 22.060 ( 0.262 -0.000 13.012) 13.015 22.106 ( -1.951 0.000 1.673) 2.570 22.855 ( -4.569 0.000 -5.269) 6.974 ======================= Grid point 13 (8/117) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 24.906 -6.999 -2.662) 26.007 0.845 ( 22.366 -14.095 0.751) 26.448 1.167 ( 21.997 -21.875 5.898) 31.578 2.072 ( 3.311 -0.998 2.112) 4.052 2.170 ( 8.965 -3.192 -9.516) 13.457 2.284 ( -3.536 -7.742 1.052) 8.576 2.472 ( 0.759 -7.489 13.175) 15.174 2.838 ( 2.452 -2.286 -6.973) 7.737 3.176 ( -1.135 1.362 -1.216) 2.150 3.353 ( 1.408 2.783 3.100) 4.398 3.440 ( -5.076 -1.920 -6.308) 8.321 3.592 ( -2.836 -1.446 -3.898) 5.032 3.669 ( -0.511 1.174 3.098) 3.352 3.760 ( 2.525 -0.956 0.958) 2.865 4.138 ( 9.607 5.302 4.576) 11.889 4.319 ( 4.482 -2.531 -2.905) 5.910 4.503 ( -3.438 -2.231 -9.090) 9.971 5.051 ( 2.587 10.884 4.700) 12.135 5.304 ( 2.206 0.016 1.444) 2.637 5.355 ( -5.421 5.251 12.682) 14.758 5.557 ( 0.921 -1.069 2.803) 3.138 5.639 ( 6.158 0.097 -3.572) 7.120 5.788 ( 4.382 3.063 5.048) 7.353 6.265 ( 0.475 0.484 8.428) 8.456 6.468 ( 11.715 1.432 -10.446) 15.761 6.537 ( 12.433 5.263 -12.832) 18.627 6.896 ( 0.040 2.039 5.507) 5.872 7.189 ( 0.543 4.243 -4.819) 6.443 7.473 ( -1.865 -3.999 7.017) 8.289 7.671 ( -3.308 6.594 -8.385) 11.168 7.745 ( 1.188 -3.420 -15.269) 15.692 8.255 ( -7.162 -2.598 18.209) 19.739 8.531 ( -4.066 2.831 3.528) 6.082 8.706 ( -3.343 0.293 -1.102) 3.532 8.808 ( 3.444 0.012 -10.665) 11.208 9.179 ( -0.387 0.557 -9.680) 9.704 9.438 ( -20.875 2.993 7.469) 22.372 9.543 ( -0.780 -1.724 -3.805) 4.249 9.703 ( -3.614 2.455 -2.327) 4.950 9.766 ( -8.076 -1.812 -2.859) 8.757 10.041 ( -5.981 4.433 -0.260) 7.450 10.153 ( -16.209 -0.329 -5.978) 17.279 10.397 ( 0.472 5.148 6.462) 8.275 10.543 ( -7.276 -8.814 -3.554) 11.969 10.666 ( -4.575 2.288 3.811) 6.379 10.958 ( 5.214 -1.807 -3.479) 6.523 11.183 ( -1.302 -8.104 -15.323) 17.383 11.296 ( -5.688 -6.853 -0.966) 8.958 11.613 ( 2.250 6.140 -0.550) 6.562 11.925 ( 12.691 -1.168 -2.422) 12.973 12.023 ( -4.031 -1.790 5.066) 6.717 12.164 ( 1.600 -0.295 -2.155) 2.700 12.483 ( 10.752 1.900 -6.419) 12.666 12.936 ( 8.522 4.422 3.324) 10.160 14.181 ( -2.406 -3.338 -0.034) 4.114 14.515 ( -6.569 -4.582 -4.124) 9.009 14.669 ( -1.638 -3.409 2.075) 4.314 15.244 ( 3.113 6.322 1.513) 7.208 15.312 ( 2.587 -4.848 0.187) 5.498 15.623 ( 1.980 6.104 -0.706) 6.456 15.702 ( -8.965 8.952 5.109) 13.661 16.153 ( -17.137 -12.118 3.503) 21.279 16.280 ( -2.127 -7.116 3.819) 8.351 16.834 ( 25.867 17.407 -63.335) 70.593 17.911 ( 18.868 -1.985 -16.032) 24.839 18.100 ( -8.492 1.914 17.084) 19.174 18.223 ( 0.465 1.618 -0.508) 1.758 18.308 ( 5.261 -1.576 -1.793) 5.777 18.944 ( 10.187 -3.626 -17.265) 20.372 19.593 ( -5.409 -8.995 -13.227) 16.885 20.281 ( -0.098 -1.238 0.844) 1.501 21.259 ( 11.927 22.045 31.115) 39.955 21.458 ( 0.278 3.527 13.411) 13.870 21.573 ( 4.163 4.749 3.921) 7.433 21.961 ( -2.846 5.093 -0.443) 5.851 22.108 ( -2.849 -3.639 2.652) 5.329 22.404 ( -8.187 -8.385 9.825) 15.293 22.754 ( -5.478 5.838 -5.142) 9.514 ======================= Grid point 14 (9/117) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 25.650 -0.650 -3.802) 25.939 1.276 ( 17.283 -13.546 0.523) 21.965 1.693 ( 2.775 -17.711 7.407) 19.396 2.141 ( 1.785 -4.046 -4.912) 6.610 2.320 ( 5.833 -6.884 4.178) 9.943 2.451 ( 4.418 -10.634 -1.941) 11.678 2.679 ( 4.120 -7.496 4.902) 9.859 2.947 ( 1.724 -9.381 -6.246) 11.401 3.139 ( 0.154 1.467 -1.233) 1.923 3.312 ( 1.854 4.318 4.711) 6.654 3.430 ( -4.465 -2.099 -3.800) 6.227 3.571 ( -2.598 1.833 1.968) 3.739 3.671 ( -1.433 -2.758 -4.676) 5.615 3.816 ( 4.483 -2.080 1.847) 5.276 4.147 ( 5.846 0.696 4.111) 7.180 4.370 ( 1.002 -0.571 -4.161) 4.318 4.527 ( 2.690 -1.671 -7.327) 7.982 4.848 ( -10.219 7.139 9.412) 15.620 5.292 ( 1.216 0.091 1.317) 1.795 5.354 ( 8.231 0.098 0.179) 8.234 5.588 ( 3.862 0.171 1.513) 4.151 5.697 ( 7.524 -0.495 -3.383) 8.265 5.785 ( 5.733 1.348 3.214) 6.710 6.284 ( -2.355 -1.431 8.182) 8.633 6.518 ( 11.186 5.113 -7.553) 14.434 6.612 ( 5.818 -6.598 -7.798) 11.756 6.886 ( -0.022 -0.572 7.552) 7.574 7.090 ( 3.519 6.732 -4.365) 8.761 7.419 ( -2.860 13.191 -3.237) 13.880 7.506 ( 0.764 -0.988 -3.773) 3.974 7.774 ( -3.403 0.800 1.104) 3.666 8.199 ( -8.035 3.698 7.534) 11.619 8.478 ( -6.682 -0.428 2.250) 7.064 8.675 ( -3.931 0.211 4.066) 5.659 8.850 ( -0.111 -2.850 -7.842) 8.344 9.108 ( -1.123 4.102 -4.749) 6.374 9.209 ( -24.099 0.008 6.835) 25.050 9.470 ( -2.589 4.752 -4.211) 6.857 9.631 ( -2.809 1.633 -1.100) 3.431 9.799 ( -1.035 7.067 -7.314) 10.223 9.962 ( -3.713 -7.688 10.216) 13.314 10.031 ( -8.719 0.363 -7.771) 11.685 10.314 ( 0.660 3.791 0.265) 3.857 10.564 ( -0.217 0.544 -0.550) 0.803 10.714 ( -14.630 -11.335 1.735) 18.588 11.065 ( 4.006 -5.602 -6.778) 9.663 11.294 ( -9.194 -8.539 -7.018) 14.377 11.397 ( -0.276 -5.572 -1.597) 5.803 11.553 ( 1.045 1.066 -0.058) 1.494 11.931 ( -5.105 2.882 4.244) 7.237 12.092 ( 9.169 -3.477 -1.791) 9.969 12.225 ( 8.127 -0.698 3.982) 9.077 12.552 ( 5.106 -1.647 -2.494) 5.916 12.880 ( 7.807 8.190 2.393) 11.566 14.282 ( -0.832 -7.846 1.438) 8.020 14.510 ( -3.382 -0.876 1.376) 3.755 14.708 ( -1.630 -2.157 0.087) 2.705 15.104 ( 3.265 9.662 0.687) 10.222 15.440 ( 9.566 -0.041 -3.373) 10.143 15.461 ( -12.217 5.854 6.782) 15.150 15.588 ( -1.157 -3.626 0.410) 3.828 16.254 ( -8.355 -8.791 -0.799) 12.154 16.439 ( -2.089 -9.283 2.204) 9.767 16.746 ( 15.882 5.061 -32.814) 36.805 17.958 ( -1.568 4.117 7.537) 8.730 17.999 ( 2.494 4.222 7.007) 8.552 18.189 ( 1.196 3.028 -0.910) 3.380 18.415 ( 6.165 -3.424 -0.834) 7.101 19.109 ( 8.873 -6.289 -10.436) 15.073 19.641 ( -6.365 -2.642 -8.955) 11.300 20.308 ( -0.522 -1.567 1.100) 1.984 21.053 ( 10.230 12.756 22.821) 28.074 21.445 ( 0.787 0.226 3.398) 3.495 21.523 ( 3.084 4.136 -1.407) 5.348 21.825 ( -4.890 5.461 -1.205) 7.429 22.156 ( -2.151 -3.018 2.597) 4.525 22.437 ( -2.969 0.016 0.169) 2.974 22.563 ( -4.674 7.980 -3.081) 9.748 ======================= Grid point 15 (10/117) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 20.456 -3.482 -3.110) 20.981 1.617 ( 13.275 -9.115 -0.622) 16.115 1.897 ( -4.466 -6.067 7.488) 10.622 2.235 ( 1.072 -4.625 -3.532) 5.918 2.526 ( 6.142 -7.793 4.995) 11.109 2.693 ( 6.009 -9.318 -4.745) 12.060 2.816 ( 0.647 -5.571 -0.750) 5.658 3.103 ( 1.369 -2.132 1.351) 2.871 3.202 ( 6.909 -5.215 -4.847) 9.921 3.227 ( -0.944 3.294 0.871) 3.536 3.421 ( -2.599 0.961 0.964) 2.934 3.514 ( -2.222 1.658 5.033) 5.746 3.689 ( 1.021 0.747 -1.746) 2.156 3.925 ( 0.347 -6.793 -3.935) 7.858 4.212 ( 1.148 -3.181 5.165) 6.174 4.358 ( -1.973 0.224 -3.123) 3.701 4.571 ( 4.515 1.119 -4.857) 6.726 4.685 ( -10.421 -0.143 5.625) 11.843 5.327 ( 3.249 -1.898 0.820) 3.851 5.449 ( 5.295 -3.193 -3.706) 7.209 5.618 ( 8.898 1.692 4.063) 9.927 5.743 ( 5.087 0.618 -2.030) 5.512 5.860 ( 7.628 -3.201 1.010) 8.333 6.284 ( -6.337 -1.116 8.777) 10.883 6.462 ( 4.643 6.795 -10.304) 13.187 6.673 ( 3.453 5.384 -0.123) 6.397 6.933 ( -3.113 2.365 4.910) 6.276 6.990 ( 5.761 2.455 -5.948) 8.637 7.227 ( 1.693 2.514 3.923) 4.958 7.531 ( 1.854 0.018 -3.439) 3.907 7.695 ( -4.803 2.278 3.297) 6.255 8.062 ( -8.420 1.915 3.235) 9.221 8.424 ( -9.888 -0.121 2.142) 10.118 8.574 ( -5.705 7.534 1.758) 9.612 8.877 ( -3.585 -3.534 -3.840) 6.332 8.989 ( -13.517 0.122 -3.404) 13.940 9.175 ( -2.524 -3.942 6.126) 7.710 9.395 ( 1.789 1.920 -5.185) 5.811 9.563 ( -3.774 6.219 -4.062) 8.332 9.601 ( 5.855 7.180 -4.656) 10.369 9.897 ( -6.489 3.550 6.572) 9.894 10.175 ( -1.424 -5.779 0.639) 5.986 10.316 ( 1.992 -6.456 -4.195) 7.952 10.562 ( -0.071 -0.030 1.579) 1.580 10.802 ( -17.710 -11.035 2.078) 20.970 11.184 ( 2.788 -4.272 -6.017) 7.888 11.343 ( -9.187 -5.000 -3.890) 11.159 11.484 ( -1.254 -5.221 -4.001) 6.696 11.590 ( 5.143 -1.476 -1.752) 5.631 11.824 ( -9.788 2.162 5.908) 11.635 12.231 ( 10.133 -1.903 -0.266) 10.313 12.310 ( 9.359 -0.792 6.012) 11.152 12.583 ( 1.813 1.826 -2.591) 3.652 12.784 ( 6.191 6.794 1.335) 9.288 14.435 ( 1.618 -6.570 1.204) 6.873 14.528 ( -1.388 -3.112 1.115) 3.585 14.737 ( 0.476 -1.413 -0.564) 1.594 14.952 ( 2.251 8.475 0.208) 8.772 15.295 ( -8.375 3.091 2.782) 9.351 15.453 ( 5.963 2.714 -4.286) 7.829 15.755 ( 0.526 -11.396 4.401) 12.228 16.345 ( -1.749 -4.716 -2.035) 5.426 16.581 ( -2.654 -7.517 -1.139) 8.053 16.773 ( 9.062 0.173 -18.743) 20.819 17.811 ( -11.438 4.691 19.291) 22.912 17.977 ( 6.556 4.659 0.950) 8.098 18.128 ( 1.095 4.001 -1.439) 4.391 18.511 ( 6.578 -1.665 -3.305) 7.548 19.277 ( 6.727 -5.611 -5.928) 10.577 19.585 ( -7.580 1.519 -3.977) 8.693 20.331 ( -0.903 -1.229 0.592) 1.636 20.952 ( 6.670 7.749 12.526) 16.169 21.455 ( 0.444 2.142 1.909) 2.904 21.472 ( 2.712 0.685 -3.056) 4.143 21.691 ( -4.323 3.952 -1.445) 6.032 22.192 ( -1.618 -1.856 1.478) 2.872 22.323 ( -1.229 7.992 -1.154) 8.168 22.459 ( -3.009 0.443 -0.986) 3.197 ======================= Grid point 16 (11/117) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 15.609 -1.689 -1.108) 15.739 1.818 ( 7.674 -2.026 1.083) 8.010 1.943 ( -2.357 -2.610 0.899) 3.630 2.317 ( 0.438 -3.444 -0.115) 3.474 2.675 ( 3.902 -2.374 2.359) 5.141 2.865 ( 0.842 -5.483 -3.603) 6.615 2.913 ( -2.048 -5.642 -3.591) 6.995 3.147 ( 2.194 3.080 -0.085) 3.783 3.167 ( 2.210 -1.927 3.755) 4.764 3.280 ( 0.261 2.016 0.418) 2.076 3.356 ( 0.334 3.592 1.318) 3.841 3.487 ( 0.904 1.628 0.806) 2.029 3.684 ( 2.728 0.861 0.816) 2.975 4.051 ( -1.480 -7.585 -5.284) 9.362 4.249 ( -2.814 -0.468 1.863) 3.407 4.348 ( -3.895 -2.101 -0.608) 4.467 4.501 ( -3.559 3.747 4.752) 7.021 4.740 ( 2.345 -5.161 -5.351) 7.796 5.395 ( -3.654 -2.793 2.044) 5.033 5.480 ( -0.895 0.526 -1.853) 2.124 5.708 ( 10.986 -0.396 2.874) 11.362 5.767 ( 6.123 0.982 -3.923) 7.338 5.998 ( 3.203 -6.004 3.183) 7.513 6.235 ( -10.171 3.584 4.271) 11.599 6.310 ( 2.353 5.050 -6.721) 8.730 6.556 ( 2.024 7.810 -0.074) 8.068 6.805 ( 1.422 6.109 1.545) 6.460 6.965 ( 4.614 5.854 3.499) 8.234 7.322 ( 0.147 -5.946 -2.163) 6.329 7.503 ( 3.369 1.893 -2.235) 4.464 7.724 ( 1.109 -6.792 6.298) 9.328 8.047 ( -3.778 -2.387 1.299) 4.654 8.260 ( -11.996 6.519 3.821) 14.178 8.423 ( -6.638 1.757 -1.333) 6.995 8.840 ( -18.849 -3.304 -1.185) 19.173 9.006 ( 1.874 -5.933 -3.074) 6.940 9.195 ( -0.149 2.251 3.978) 4.573 9.356 ( 4.108 5.956 1.454) 7.380 9.480 ( 5.043 1.312 -12.492) 13.535 9.567 ( 5.668 0.346 -0.692) 5.720 9.813 ( -2.024 2.132 6.125) 6.794 10.205 ( 0.776 -0.831 -3.666) 3.839 10.495 ( -3.136 -7.640 1.092) 8.330 10.559 ( 0.037 -0.546 2.231) 2.297 10.861 ( -17.885 -9.935 1.617) 20.523 11.261 ( 1.667 -2.883 -3.850) 5.090 11.337 ( -4.221 -0.821 -3.259) 5.396 11.580 ( -3.245 -4.149 2.470) 5.817 11.648 ( 7.456 -1.142 -9.234) 11.923 11.732 ( -8.684 -0.926 5.657) 10.405 12.286 ( 4.442 1.975 1.863) 5.206 12.428 ( 11.534 -0.870 4.932) 12.574 12.509 ( 4.142 6.394 -4.874) 9.045 12.740 ( 2.877 2.417 0.914) 3.867 14.543 ( 1.551 -3.907 -0.174) 4.207 14.596 ( -0.150 -3.378 0.734) 3.460 14.755 ( 0.433 0.490 0.102) 0.662 14.818 ( 1.116 6.812 -0.003) 6.903 15.218 ( -5.726 -0.650 1.017) 5.852 15.452 ( 3.850 0.903 -3.051) 4.994 15.996 ( 1.154 -11.726 4.411) 12.581 16.379 ( 2.638 1.808 -4.139) 5.231 16.682 ( -2.840 -5.223 -0.955) 6.021 16.817 ( 6.241 -0.053 -9.461) 11.334 17.681 ( -9.780 1.341 14.826) 17.811 17.910 ( 2.996 6.466 1.937) 7.385 18.056 ( -3.941 2.401 3.691) 5.909 18.585 ( 9.771 -0.301 -9.694) 13.767 19.422 ( 5.575 -5.283 -2.254) 8.005 19.467 ( -8.937 3.377 -0.013) 9.554 20.344 ( -0.830 -0.875 -0.100) 1.210 20.878 ( 3.227 5.315 5.520) 8.314 21.401 ( -0.008 2.331 -1.005) 2.539 21.509 ( 1.365 -1.536 -0.457) 2.105 21.614 ( -1.584 1.440 -0.947) 2.341 22.150 ( -0.770 4.847 -1.113) 5.032 22.244 ( -1.389 -0.820 2.169) 2.704 22.439 ( -1.258 -0.121 -0.890) 1.546 ======================= Grid point 17 (12/117) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 12.398 6.247 2.066) 14.035 1.793 ( -1.120 5.729 3.824) 6.979 1.992 ( 2.112 -1.335 -6.802) 7.246 2.361 ( 1.125 -0.170 0.750) 1.362 2.665 ( -0.373 4.964 -3.830) 6.281 2.882 ( -5.040 1.733 2.028) 5.703 2.998 ( -1.679 -4.732 1.402) 5.213 3.097 ( 0.160 4.541 -0.009) 4.544 3.165 ( -0.813 2.189 0.403) 2.369 3.205 ( -4.115 2.257 4.692) 6.637 3.373 ( 6.054 -1.571 2.213) 6.635 3.478 ( 3.446 0.023 -4.223) 5.450 3.683 ( 2.145 1.996 -1.280) 3.197 4.169 ( -1.285 -5.542 -5.538) 7.940 4.199 ( -2.643 3.331 4.099) 5.906 4.359 ( -4.172 -1.959 0.804) 4.678 4.444 ( -3.503 -1.083 3.640) 5.167 4.842 ( 6.586 -2.558 -8.808) 11.291 5.334 ( -12.911 0.191 5.773) 14.144 5.430 ( -3.844 4.932 -3.402) 7.119 5.688 ( 3.837 8.827 4.155) 10.484 5.776 ( 4.331 2.448 -2.522) 5.578 6.044 ( -4.089 6.344 -2.875) 8.077 6.205 ( 3.362 -11.429 9.269) 15.094 6.358 ( -1.498 -5.996 -3.783) 7.246 6.388 ( -2.110 7.685 -2.085) 8.238 6.765 ( 3.890 0.723 0.211) 3.963 6.895 ( 2.830 3.617 -0.015) 4.593 7.396 ( 0.857 -1.597 2.173) 2.830 7.550 ( 8.336 0.759 2.105) 8.631 7.854 ( -1.309 4.285 -3.816) 5.885 7.962 ( 1.571 -3.432 2.609) 4.588 8.212 ( -9.722 -4.787 3.220) 11.305 8.393 ( -3.048 -5.348 -0.281) 6.162 8.804 ( -20.549 -9.402 2.479) 22.733 9.131 ( 3.302 2.709 1.647) 4.577 9.140 ( 1.982 -4.292 -4.303) 6.393 9.303 ( 7.982 5.139 1.099) 9.557 9.419 ( -3.106 1.974 -0.516) 3.716 9.705 ( 15.254 -1.089 -0.408) 15.298 9.812 ( 3.005 -3.323 -2.044) 4.924 10.234 ( 1.236 -1.640 -1.989) 2.859 10.491 ( -5.893 0.549 0.896) 5.986 10.606 ( -0.089 0.113 1.258) 1.266 10.905 ( -17.322 -9.216 1.357) 19.667 11.308 ( -1.565 0.436 -2.429) 2.922 11.316 ( 0.152 -1.800 -2.318) 2.939 11.511 ( -1.849 6.135 6.224) 8.933 11.743 ( -1.195 -2.461 0.746) 2.835 11.806 ( 4.455 -9.362 -8.597) 13.468 12.240 ( 3.010 6.008 1.434) 6.871 12.411 ( 1.382 4.161 -3.445) 5.576 12.530 ( 11.999 1.943 2.361) 12.383 12.714 ( 0.646 2.143 0.318) 2.261 14.589 ( 0.299 1.616 0.525) 1.725 14.633 ( 0.042 -0.360 -0.317) 0.481 14.706 ( -1.618 2.289 -1.868) 3.368 14.760 ( 0.728 -0.831 1.154) 1.598 15.211 ( -3.626 -1.512 1.526) 4.214 15.473 ( 4.259 -0.108 -2.708) 5.048 16.174 ( -0.100 -1.716 2.311) 2.881 16.319 ( 3.758 2.790 -3.477) 5.830 16.719 ( -3.036 -0.886 3.126) 4.447 16.862 ( 7.958 0.544 -5.192) 9.518 17.645 ( -10.697 -3.315 10.392) 15.278 17.807 ( 0.938 4.362 -1.406) 4.678 17.995 ( -6.398 -0.198 7.849) 10.128 18.655 ( 12.647 1.071 -14.390) 19.188 19.325 ( -9.855 3.697 3.784) 11.185 19.566 ( 5.221 -5.383 0.360) 7.508 20.352 ( -0.405 -0.561 -0.567) 0.895 20.810 ( -0.037 3.581 0.494) 3.615 21.375 ( -0.515 0.089 -0.227) 0.570 21.518 ( -0.439 1.256 0.118) 1.336 21.620 ( 1.554 -2.141 -0.314) 2.664 22.091 ( -0.855 -0.128 -0.547) 1.023 22.254 ( -0.730 -0.520 0.574) 1.065 22.444 ( -0.103 -1.150 0.212) 1.174 ======================= Grid point 18 (13/117) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 8.150 16.764 2.399) 18.794 1.626 ( -1.732 11.464 3.262) 12.044 1.982 ( -1.926 1.519 -7.538) 7.927 2.342 ( 2.446 3.876 -0.044) 4.583 2.484 ( -6.854 9.234 -1.951) 11.664 2.771 ( -2.785 5.018 0.379) 5.751 2.961 ( 1.106 9.142 1.847) 9.392 3.043 ( -2.640 0.597 5.999) 6.581 3.134 ( -1.258 0.976 -0.424) 1.648 3.177 ( -3.690 -3.372 0.881) 5.076 3.456 ( 4.814 -1.779 4.656) 6.930 3.527 ( 2.581 -2.015 -5.257) 6.194 3.629 ( -1.628 2.336 -6.298) 6.912 4.102 ( -0.991 5.601 7.705) 9.577 4.180 ( -3.654 2.273 -6.764) 8.016 4.389 ( 0.172 -2.494 2.606) 3.611 4.459 ( -3.706 -1.689 2.933) 5.019 4.938 ( 10.821 -1.881 -11.352) 15.796 5.253 ( -12.049 -0.115 3.529) 12.555 5.266 ( -4.833 3.593 1.075) 6.117 5.524 ( 0.073 8.736 4.877) 10.005 5.730 ( 0.976 5.368 1.163) 5.578 5.859 ( -4.043 8.463 -5.663) 10.956 6.256 ( -1.835 -0.020 3.074) 3.580 6.399 ( -3.574 -0.876 -1.067) 3.831 6.566 ( 5.446 -15.003 0.424) 15.967 6.818 ( 0.246 -4.009 3.197) 5.134 6.882 ( 1.583 -0.294 -3.744) 4.075 7.308 ( -3.470 10.281 1.458) 10.948 7.552 ( 3.718 2.608 3.645) 5.824 7.792 ( 1.487 2.418 -3.278) 4.336 8.051 ( 3.129 -6.282 0.950) 7.082 8.327 ( -3.462 -9.076 -1.172) 9.784 8.515 ( -1.115 -8.263 2.925) 8.836 8.838 ( -13.620 -7.069 6.111) 16.517 9.165 ( -0.174 -5.508 -2.253) 5.954 9.201 ( 2.830 6.170 -1.685) 6.994 9.264 ( 6.725 -2.912 -3.248) 8.016 9.448 ( -2.582 -6.302 5.312) 8.637 9.795 ( 15.660 1.347 -0.339) 15.721 10.008 ( 11.873 -7.891 -4.663) 14.999 10.275 ( -1.025 -2.350 0.591) 2.631 10.407 ( -1.281 5.432 -3.618) 6.651 10.544 ( -0.952 4.339 5.117) 6.776 10.931 ( -19.599 -8.126 0.882) 21.235 11.250 ( 2.066 5.133 -1.839) 5.831 11.355 ( -2.190 0.889 1.946) 3.062 11.389 ( -1.831 1.971 1.564) 3.112 11.775 ( 1.013 -0.245 -0.171) 1.056 12.013 ( 6.845 -7.534 -7.114) 12.419 12.124 ( 3.158 8.234 0.378) 8.827 12.350 ( 2.085 3.371 -1.460) 4.223 12.558 ( 3.023 1.448 1.481) 3.664 12.660 ( -0.304 4.046 -0.052) 4.057 14.507 ( -0.538 5.269 0.207) 5.301 14.605 ( 0.559 2.256 -1.405) 2.716 14.690 ( -1.698 -1.355 -0.478) 2.224 14.832 ( 0.731 -4.821 0.023) 4.876 15.201 ( -4.140 -0.290 2.655) 4.926 15.517 ( 5.498 -0.863 -3.145) 6.393 16.018 ( 0.308 12.135 -1.550) 12.237 16.400 ( 2.974 -4.008 -0.036) 4.991 16.677 ( -1.989 3.613 4.877) 6.387 16.889 ( 10.313 4.083 -3.343) 11.585 17.568 ( -19.767 -0.248 12.198) 23.229 17.840 ( 3.564 -5.504 -3.908) 7.634 17.998 ( -3.566 -3.669 4.047) 6.523 18.699 ( 13.315 3.718 -14.949) 20.361 19.175 ( -10.665 4.368 7.288) 13.636 19.707 ( 4.708 -4.819 2.561) 7.208 20.354 ( -0.122 0.164 -1.026) 1.046 20.742 ( -2.791 2.245 -3.469) 4.986 21.387 ( -0.629 -1.632 0.479) 1.813 21.474 ( -0.777 2.357 0.193) 2.489 21.700 ( 2.480 -4.232 0.251) 4.912 22.149 ( -0.593 -6.582 -0.719) 6.647 22.249 ( -0.366 0.490 -0.035) 0.613 22.479 ( 0.589 -2.041 0.910) 2.311 ======================= Grid point 19 (14/117) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 2.345 22.625 1.180) 22.777 1.329 ( -3.181 17.261 0.471) 17.559 1.862 ( -3.526 9.654 -2.848) 10.665 2.190 ( -4.407 9.369 -0.971) 10.399 2.325 ( 0.171 5.020 1.557) 5.259 2.679 ( 2.914 4.117 -4.586) 6.817 2.788 ( 3.185 10.890 1.690) 11.471 2.916 ( -9.546 6.867 3.687) 12.324 3.140 ( 1.879 -1.301 3.356) 4.060 3.230 ( -1.758 -2.562 -2.050) 3.722 3.495 ( 1.211 0.855 2.045) 2.526 3.574 ( 2.014 -2.817 0.146) 3.466 3.617 ( -2.259 -3.019 -6.142) 7.207 3.958 ( 0.685 10.620 4.099) 11.405 4.068 ( -2.968 4.292 -3.031) 6.035 4.412 ( 0.621 1.769 1.468) 2.381 4.440 ( -3.093 0.264 1.788) 3.582 5.054 ( 9.332 -2.145 -6.462) 11.552 5.172 ( -4.708 2.436 0.251) 5.307 5.244 ( -1.159 -3.394 1.625) 3.937 5.425 ( -4.138 -0.522 3.466) 5.423 5.602 ( -3.413 4.279 1.699) 5.731 5.713 ( -1.140 5.111 -3.986) 6.581 6.286 ( -1.229 -3.461 -0.951) 3.794 6.318 ( -3.175 5.685 1.685) 6.727 6.768 ( 5.316 3.972 1.720) 6.856 6.884 ( -3.367 2.196 -0.997) 4.141 6.923 ( -1.275 -6.314 1.906) 6.717 7.167 ( -0.945 -7.156 -0.319) 7.225 7.526 ( -0.441 0.705 1.473) 1.691 7.777 ( 0.075 -0.884 -0.312) 0.941 8.249 ( 8.366 -5.518 -0.194) 10.024 8.405 ( -7.699 -7.236 0.530) 10.579 8.678 ( 1.421 -4.510 -0.716) 4.783 8.872 ( -3.169 -2.709 3.546) 5.473 9.060 ( -1.091 3.590 1.250) 3.955 9.328 ( -0.825 -8.411 -0.654) 8.477 9.399 ( 3.991 -5.486 -2.307) 7.166 9.613 ( -1.204 -12.385 1.748) 12.566 9.887 ( 12.665 5.110 0.470) 13.665 10.157 ( -4.672 -2.898 3.654) 6.601 10.276 ( 10.298 4.405 -12.559) 16.828 10.373 ( 3.225 -4.045 -0.483) 5.196 10.517 ( 8.032 0.245 8.233) 11.505 10.890 ( -22.577 -5.085 2.713) 23.301 11.147 ( 3.838 8.393 2.085) 9.461 11.205 ( -3.528 7.896 -3.647) 9.385 11.447 ( -0.019 -4.343 0.926) 4.441 11.736 ( -1.433 5.004 -0.150) 5.207 11.999 ( 6.296 7.724 -0.664) 9.988 12.129 ( 1.013 -0.373 -3.106) 3.288 12.334 ( 10.190 3.216 -0.436) 10.694 12.516 ( -9.353 3.367 -0.444) 9.950 12.584 ( -0.535 -0.729 0.934) 1.300 14.403 ( -0.145 5.277 -0.237) 5.285 14.584 ( 1.388 0.326 -2.066) 2.510 14.727 ( -0.250 -3.491 0.274) 3.511 14.933 ( 1.005 -4.748 -0.018) 4.853 15.172 ( -5.089 -0.946 2.455) 5.729 15.587 ( 4.854 -2.430 -2.981) 6.193 15.802 ( 0.117 9.890 -0.473) 9.902 16.471 ( 2.773 -0.796 -1.968) 3.492 16.570 ( -2.646 5.931 6.119) 8.924 16.859 ( 12.765 8.283 -3.690) 15.658 17.430 ( -20.017 -1.762 10.852) 22.837 17.997 ( 2.677 -7.632 -2.789) 8.555 18.074 ( -1.377 -5.506 0.965) 5.757 18.677 ( 11.250 7.489 -11.519) 17.758 18.999 ( -10.299 6.180 8.459) 14.690 19.826 ( 3.729 -3.656 4.288) 6.757 20.339 ( -0.150 1.203 -1.237) 1.731 20.671 ( -4.175 1.603 -6.132) 7.590 21.425 ( -0.659 -2.609 1.727) 3.198 21.433 ( -0.274 1.125 -1.358) 1.784 21.809 ( 1.627 -5.077 0.197) 5.335 22.223 ( 0.599 1.531 -1.365) 2.137 22.332 ( -0.329 -11.888 0.976) 11.933 22.526 ( 0.515 -2.159 0.595) 2.298 ======================= Grid point 20 (15/117) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( -0.000 21.545 0.000) 21.545 0.938 ( -0.000 21.840 0.000) 21.840 1.503 ( -0.000 26.689 0.000) 26.689 2.033 ( -0.000 4.402 0.000) 4.402 2.211 ( -0.000 7.256 0.000) 7.256 2.557 ( -0.000 14.660 0.000) 14.660 2.650 ( -0.000 1.438 0.000) 1.438 2.755 ( -0.000 4.058 0.000) 4.058 3.198 ( 0.000 -2.941 -0.000) 2.941 3.228 ( -0.000 0.310 0.000) 0.310 3.498 ( 0.000 -1.013 -0.000) 1.013 3.652 ( 0.000 -2.612 -0.000) 2.612 3.654 ( 0.000 -2.775 -0.000) 2.775 3.769 ( -0.000 8.300 0.000) 8.300 3.970 ( -0.000 4.716 0.000) 4.716 4.340 ( -0.000 4.120 0.000) 4.120 4.445 ( 0.000 -1.867 -0.000) 1.867 4.991 ( -0.000 9.723 0.000) 9.723 5.205 ( 0.000 -6.657 -0.000) 6.657 5.372 ( 0.000 -7.772 -0.000) 7.772 5.454 ( 0.000 -2.739 -0.000) 2.739 5.560 ( 0.000 -0.683 -0.000) 0.683 5.612 ( -0.000 4.328 0.000) 4.328 6.171 ( -0.000 7.303 0.000) 7.303 6.350 ( 0.000 -3.365 -0.000) 3.365 6.547 ( -0.000 13.536 0.000) 13.536 6.866 ( 0.000 -1.172 -0.000) 1.172 7.054 ( 0.000 -7.756 -0.000) 7.756 7.418 ( 0.000 -11.867 -0.000) 11.867 7.551 ( 0.000 -4.590 -0.000) 4.590 7.791 ( -0.000 0.759 0.000) 0.759 8.325 ( 0.000 -1.916 -0.000) 1.916 8.565 ( 0.000 -9.656 -0.000) 9.656 8.629 ( -0.000 6.532 0.000) 6.532 8.875 ( -0.000 1.676 0.000) 1.676 9.096 ( 0.000 -4.432 -0.000) 4.432 9.473 ( 0.000 -6.965 -0.000) 6.965 9.526 ( 0.000 -6.841 -0.000) 6.841 9.728 ( -0.000 12.076 0.000) 12.076 9.859 ( 0.000 -11.989 -0.000) 11.989 10.230 ( -0.000 2.169 0.000) 2.169 10.257 ( 0.000 -5.513 -0.000) 5.513 10.465 ( 0.000 -5.566 -0.000) 5.566 10.656 ( 0.000 -2.203 -0.000) 2.203 10.829 ( 0.000 -2.896 -0.000) 2.896 10.955 ( -0.000 12.989 0.000) 12.989 11.043 ( -0.000 7.261 0.000) 7.261 11.542 ( 0.000 -4.990 -0.000) 4.990 11.573 ( -0.000 9.820 0.000) 9.820 11.913 ( -0.000 5.107 0.000) 5.107 12.092 ( -0.000 2.494 0.000) 2.494 12.304 ( -0.000 8.391 0.000) 8.391 12.345 ( -0.000 4.696 0.000) 4.696 12.681 ( 0.000 -7.609 -0.000) 7.609 14.304 ( -0.000 5.069 0.000) 5.069 14.598 ( 0.000 -0.835 -0.000) 0.835 14.819 ( 0.000 -5.775 -0.000) 5.775 15.009 ( 0.000 -2.618 -0.000) 2.618 15.212 ( 0.000 -5.910 -0.000) 5.910 15.644 ( -0.000 6.418 0.000) 6.418 15.677 ( 0.000 -4.903 -0.000) 4.903 16.442 ( -0.000 5.782 0.000) 5.782 16.449 ( -0.000 4.817 0.000) 4.817 16.759 ( -0.000 7.929 0.000) 7.929 17.403 ( 0.000 -4.733 -0.000) 4.733 18.140 ( 0.000 -5.969 -0.000) 5.969 18.171 ( 0.000 -4.750 -0.000) 4.750 18.542 ( -0.000 11.285 0.000) 11.285 18.829 ( -0.000 6.559 0.000) 6.559 19.910 ( 0.000 -2.688 -0.000) 2.688 20.307 ( -0.000 1.699 0.000) 1.699 20.610 ( -0.000 1.651 0.000) 1.651 21.422 ( 0.000 -0.142 -0.000) 0.142 21.479 ( 0.000 -3.005 -0.000) 3.005 21.910 ( 0.000 -4.750 -0.000) 4.750 22.188 ( -0.000 2.224 0.000) 2.224 22.563 ( 0.000 -1.454 -0.000) 1.454 22.586 ( 0.000 -13.498 -0.000) 13.498 ======================= Grid point 23 (16/117) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( 14.101 -0.000 2.720) 14.361 0.936 ( 28.982 -0.000 0.322) 28.984 1.326 ( 36.639 -0.000 3.075) 36.768 2.140 ( 5.690 -0.000 10.860) 12.260 2.156 ( -5.676 0.000 -2.668) 6.272 2.183 ( 7.485 -0.000 -10.731) 13.084 2.437 ( 8.088 -0.000 5.968) 10.051 2.814 ( -1.071 0.000 -3.969) 4.111 3.169 ( -3.077 0.000 1.322) 3.349 3.287 ( -11.795 0.000 -8.808) 14.721 3.476 ( 7.285 -0.000 1.772) 7.497 3.554 ( -2.134 0.000 -4.580) 5.052 3.684 ( -0.290 0.000 3.621) 3.633 3.764 ( 2.660 -0.000 3.059) 4.053 4.310 ( 8.439 -0.000 -8.090) 11.690 4.317 ( 8.357 -0.000 6.470) 10.569 4.409 ( -5.232 0.000 -13.081) 14.088 5.164 ( -5.437 0.000 5.150) 7.489 5.356 ( -12.000 0.000 18.474) 22.030 5.361 ( 6.577 -0.000 0.090) 6.578 5.552 ( 2.541 -0.000 5.357) 5.929 5.691 ( 7.500 -0.000 -4.683) 8.842 5.838 ( 1.970 -0.000 0.954) 2.189 6.260 ( -2.949 0.000 16.202) 16.468 6.537 ( 6.496 -0.000 -14.671) 16.044 6.737 ( 3.878 -0.000 -11.087) 11.746 6.979 ( -0.433 0.000 5.200) 5.218 7.165 ( 4.373 -0.000 5.705) 7.188 7.411 ( 1.962 -0.000 6.122) 6.429 7.629 ( 0.623 -0.000 -21.252) 21.261 7.743 ( -3.988 0.000 -11.399) 12.077 8.191 ( -6.835 0.000 25.326) 26.232 8.554 ( -3.766 0.000 6.256) 7.302 8.654 ( -7.510 0.000 -6.825) 10.148 8.841 ( 0.938 -0.000 -9.568) 9.614 9.129 ( -0.945 0.000 -7.352) 7.412 9.245 ( -34.405 0.000 9.918) 35.806 9.485 ( -0.209 0.000 -2.581) 2.590 9.699 ( -5.481 0.000 -1.223) 5.616 9.728 ( -3.105 0.000 -6.182) 6.917 9.993 ( -16.256 0.000 -4.143) 16.776 10.052 ( -5.677 0.000 -4.624) 7.322 10.340 ( -8.695 0.000 0.506) 8.710 10.466 ( 0.171 -0.000 3.996) 4.000 10.679 ( -7.220 0.000 2.787) 7.739 11.002 ( 7.045 -0.000 1.879) 7.291 11.109 ( 5.953 -0.000 -19.735) 20.613 11.137 ( -10.227 0.000 1.882) 10.399 11.763 ( -7.189 0.000 -5.596) 9.111 11.822 ( 4.711 -0.000 -1.226) 4.868 12.117 ( 1.061 -0.000 -4.743) 4.860 12.153 ( 13.542 -0.000 5.216) 14.512 12.582 ( 5.433 -0.000 -10.192) 11.549 13.055 ( 9.547 -0.000 4.119) 10.397 14.136 ( -4.886 0.000 -0.285) 4.894 14.391 ( 2.524 -0.000 -17.019) 17.205 14.644 ( -1.511 0.000 10.033) 10.146 15.216 ( -1.003 0.000 2.624) 2.809 15.385 ( 4.248 -0.000 2.162) 4.767 15.714 ( 1.674 -0.000 2.051) 2.647 15.797 ( -20.983 0.000 7.048) 22.135 15.848 ( 0.482 -0.000 0.588) 0.760 16.185 ( -1.366 0.000 1.475) 2.010 17.132 ( 10.352 -0.000 -74.014) 74.734 17.998 ( 20.620 -0.000 -2.913) 20.824 18.123 ( -1.994 0.000 -0.078) 1.996 18.242 ( -1.803 0.000 1.516) 2.356 18.335 ( 7.045 -0.000 -0.146) 7.046 18.943 ( 6.048 -0.000 -17.548) 18.561 19.477 ( 3.098 -0.000 -4.028) 5.081 20.271 ( 0.144 -0.000 1.078) 1.088 21.427 ( 1.897 -0.000 -2.723) 3.318 21.556 ( 0.341 -0.000 -0.010) 0.341 21.886 ( -11.196 0.000 54.754) 55.887 21.987 ( -6.044 0.000 0.863) 6.105 22.098 ( 1.274 -0.000 8.078) 8.177 22.108 ( 2.409 -0.000 0.807) 2.540 22.740 ( -7.242 0.000 -8.848) 11.434 ======================= Grid point 24 (17/117) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 10.945 -21.860 1.977) 24.526 1.235 ( 26.178 -6.386 -2.993) 27.111 1.560 ( 24.334 1.071 5.646) 25.003 2.115 ( 1.576 -0.673 -4.654) 4.960 2.233 ( 2.154 -4.133 13.593) 14.370 2.321 ( 8.447 -8.347 -9.058) 14.935 2.585 ( 8.006 -6.601 1.447) 10.477 2.820 ( -2.111 -2.933 -3.927) 5.337 3.132 ( -4.970 0.488 1.238) 5.145 3.250 ( -8.309 -5.940 -4.966) 11.357 3.478 ( 4.995 4.933 0.616) 7.048 3.546 ( -1.545 -1.175 -4.417) 4.825 3.660 ( -1.393 1.979 2.413) 3.417 3.823 ( 4.541 -1.964 5.500) 7.397 4.259 ( 4.115 5.048 -5.746) 8.685 4.383 ( 4.487 0.246 -4.743) 6.533 4.470 ( 3.978 -4.625 -5.867) 8.464 4.974 ( -13.081 10.921 13.592) 21.797 5.298 ( -0.048 0.104 3.064) 3.066 5.403 ( 3.412 -0.223 -0.269) 3.430 5.615 ( 6.436 -1.128 6.686) 9.349 5.753 ( 9.548 -0.296 -6.645) 11.636 5.846 ( 2.687 0.675 0.775) 2.877 6.264 ( -2.759 -0.457 12.785) 13.087 6.568 ( 4.954 -1.655 -10.335) 11.580 6.695 ( 8.358 4.945 -8.589) 12.965 6.924 ( 0.701 2.779 9.160) 9.598 7.221 ( 5.040 2.616 -3.239) 6.537 7.466 ( -0.359 -1.312 -1.250) 1.847 7.582 ( -5.489 4.904 -3.486) 8.144 7.703 ( -3.009 -2.922 -7.106) 8.251 8.172 ( -9.109 0.219 19.597) 21.612 8.467 ( -6.276 4.415 4.620) 8.957 8.588 ( -10.564 -1.678 -1.095) 10.752 8.810 ( -5.625 -2.284 -5.399) 8.125 8.994 ( -24.302 0.978 4.114) 24.667 9.143 ( -1.769 0.516 -3.182) 3.677 9.516 ( -1.618 0.008 -5.280) 5.522 9.595 ( -5.084 0.357 1.632) 5.352 9.743 ( -3.793 -5.655 -4.636) 8.238 9.858 ( -12.296 1.133 -4.638) 13.190 10.004 ( -4.238 0.868 -2.386) 4.940 10.352 ( -7.143 -4.733 2.512) 8.929 10.455 ( -0.565 0.417 -0.316) 0.770 10.601 ( -3.886 2.107 0.522) 4.451 11.023 ( -2.522 -0.114 -5.754) 6.283 11.091 ( 0.915 -4.367 -1.756) 4.795 11.256 ( 0.647 -7.669 -2.942) 8.240 11.610 ( -1.437 4.790 -4.555) 6.765 11.891 ( -10.006 -2.317 -0.519) 10.284 12.134 ( 13.106 0.036 -1.547) 13.197 12.294 ( 10.325 -1.804 2.690) 10.822 12.589 ( 4.928 1.089 -5.839) 7.717 13.081 ( 7.974 5.398 3.338) 10.191 14.135 ( -3.301 -4.953 0.176) 5.955 14.451 ( 0.121 -3.553 -8.262) 8.994 14.655 ( -2.011 -1.696 7.274) 7.735 15.258 ( -2.084 -1.003 3.134) 3.895 15.362 ( 1.775 1.943 3.824) 4.642 15.543 ( -6.563 7.230 1.546) 9.886 15.677 ( 3.295 5.173 -1.418) 6.295 15.997 ( -4.790 -10.609 0.797) 11.668 16.263 ( -1.446 -7.600 1.735) 7.928 17.006 ( 13.614 10.467 -48.822) 51.754 17.987 ( -6.536 6.219 20.714) 22.593 18.119 ( 5.428 2.173 -4.470) 7.360 18.230 ( 0.572 0.680 -0.980) 1.323 18.456 ( 13.130 -2.392 -3.989) 13.929 19.035 ( 5.939 -5.921 -11.593) 14.308 19.538 ( 0.273 -3.159 -5.960) 6.751 20.283 ( 0.015 -0.915 1.505) 1.761 21.394 ( 3.678 8.202 2.416) 9.308 21.490 ( -0.253 4.947 12.260) 13.223 21.668 ( 2.931 9.345 16.648) 19.316 21.889 ( -6.279 5.702 -0.031) 8.482 22.077 ( -0.963 -3.254 0.963) 3.528 22.336 ( -3.147 -7.812 5.629) 10.130 22.632 ( -7.385 4.158 -7.302) 11.187 ======================= Grid point 25 (18/117) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 23.142 -1.745 -0.950) 23.227 1.544 ( 15.927 -9.575 -6.138) 19.571 1.742 ( 4.942 -6.513 11.556) 14.156 2.170 ( 3.074 -2.794 -6.108) 7.386 2.400 ( 3.924 -9.229 8.187) 12.946 2.565 ( 7.584 -9.504 -6.767) 13.915 2.744 ( 2.556 -3.947 2.525) 5.337 2.949 ( 1.012 -13.168 -4.647) 14.000 3.102 ( -4.011 -1.675 1.432) 4.576 3.335 ( -3.506 -6.194 1.600) 7.295 3.386 ( 2.387 6.882 -0.434) 7.297 3.549 ( -0.483 1.456 0.872) 1.765 3.628 ( -2.585 -2.363 -4.215) 5.480 3.891 ( 3.715 -0.569 4.666) 5.992 4.211 ( 1.311 1.579 -2.668) 3.366 4.377 ( 1.138 2.642 -2.071) 3.544 4.575 ( 5.717 -3.153 -7.261) 9.764 4.698 ( -10.146 7.947 9.031) 15.737 5.322 ( 1.341 -0.903 0.635) 1.737 5.438 ( 2.192 -1.367 -1.653) 3.067 5.690 ( 7.199 -0.128 7.318) 10.266 5.805 ( 6.323 1.284 -5.630) 8.563 5.906 ( 10.339 -1.851 -0.058) 10.504 6.242 ( -4.561 1.011 7.530) 8.862 6.624 ( 4.825 4.201 -11.112) 12.822 6.706 ( 5.358 -4.315 0.755) 6.921 6.895 ( -1.131 1.680 8.653) 8.886 7.163 ( 6.845 8.120 -5.359) 11.896 7.361 ( -3.231 6.749 2.849) 8.007 7.525 ( 3.018 -0.727 -6.040) 6.791 7.685 ( -9.012 -0.156 2.807) 9.440 8.028 ( -16.575 5.215 9.735) 19.917 8.346 ( -8.994 1.633 3.587) 9.819 8.556 ( -10.103 -2.373 2.759) 10.739 8.818 ( -17.147 -3.542 -2.253) 17.653 8.866 ( -0.299 0.286 -4.053) 4.074 9.094 ( -1.531 -0.597 0.395) 1.690 9.449 ( 1.098 2.572 -3.747) 4.676 9.580 ( -3.273 0.990 -1.284) 3.652 9.740 ( -4.620 3.154 -1.184) 5.718 9.889 ( -9.672 -6.598 10.940) 16.024 9.961 ( 0.570 -4.804 -13.803) 14.626 10.340 ( 2.722 3.269 -1.313) 4.452 10.481 ( -9.177 -6.687 0.220) 11.357 10.561 ( -3.480 -0.791 2.277) 4.233 11.065 ( -6.710 -7.919 -5.624) 11.806 11.168 ( 1.852 -2.767 -2.755) 4.321 11.388 ( -0.259 -5.697 -1.038) 5.796 11.574 ( 1.534 -1.173 -4.738) 5.117 11.804 ( -9.740 1.710 3.005) 10.335 12.267 ( 11.283 -2.427 -0.784) 11.567 12.394 ( 9.808 -0.575 3.050) 10.288 12.611 ( 3.171 0.033 -2.836) 4.254 12.994 ( 5.428 8.889 2.197) 10.645 14.272 ( -0.776 -10.118 1.195) 10.217 14.487 ( 0.381 -1.213 -1.727) 2.145 14.694 ( -0.532 -2.739 1.730) 3.283 15.148 ( 1.597 8.961 0.622) 9.124 15.280 ( -10.211 3.888 6.123) 12.525 15.586 ( 9.083 -2.685 -3.804) 10.207 15.600 ( 2.168 0.131 -0.667) 2.272 16.163 ( -3.538 -10.367 -0.688) 10.976 16.406 ( -2.857 -8.226 1.679) 8.868 16.904 ( 13.384 6.381 -32.425) 35.654 17.823 ( -12.777 5.374 27.915) 31.167 18.091 ( 2.839 3.606 -0.446) 4.611 18.206 ( 1.069 2.695 -0.821) 3.013 18.576 ( 12.650 -0.235 -6.481) 14.216 19.196 ( 4.746 -6.825 -7.448) 11.162 19.547 ( -3.617 0.364 -3.986) 5.395 20.303 ( -0.465 -1.059 1.203) 1.669 21.216 ( 5.262 12.131 13.230) 18.705 21.467 ( 0.845 0.330 3.922) 4.025 21.578 ( 3.650 5.731 0.890) 6.853 21.731 ( -6.250 4.784 -2.122) 8.152 22.130 ( -1.296 -3.034 0.997) 3.447 22.403 ( -1.528 -1.584 0.106) 2.204 22.463 ( -6.330 6.300 -2.912) 9.394 ======================= Grid point 26 (19/117) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 22.576 2.014 -1.602) 22.722 1.806 ( 6.410 -8.485 -5.190) 11.833 1.876 ( 4.868 -1.952 8.657) 10.122 2.242 ( 0.286 -4.034 -1.863) 4.452 2.612 ( 3.506 -7.806 4.553) 9.693 2.746 ( 0.792 -6.704 -5.185) 8.512 2.815 ( 0.123 -3.110 -3.072) 4.373 3.128 ( 0.387 -3.633 4.228) 5.587 3.225 ( 1.543 -3.883 -0.247) 4.186 3.286 ( 3.933 0.462 -1.378) 4.193 3.391 ( -1.294 -0.459 2.155) 2.555 3.497 ( -1.420 1.162 2.406) 3.026 3.695 ( 1.032 -4.112 -4.100) 5.898 3.930 ( 1.164 -2.314 0.976) 2.768 4.189 ( -5.105 -0.190 2.395) 5.642 4.307 ( -3.755 2.232 -2.445) 5.006 4.547 ( -4.717 3.427 5.652) 8.120 4.683 ( 7.673 -3.802 -8.606) 12.141 5.331 ( -4.071 -0.427 1.081) 4.234 5.478 ( 1.746 -1.022 -1.162) 2.333 5.748 ( 3.184 -1.185 5.235) 6.240 5.840 ( 8.608 0.302 -4.352) 9.651 6.009 ( 10.183 0.934 -1.127) 10.288 6.187 ( -6.867 0.298 6.183) 9.245 6.501 ( 3.025 10.108 -6.676) 12.486 6.733 ( 2.315 7.989 0.224) 8.321 6.875 ( -4.852 -0.340 5.947) 7.683 7.095 ( 8.621 1.426 -4.758) 9.949 7.274 ( 2.679 2.657 7.868) 8.726 7.565 ( 2.965 1.280 -4.310) 5.386 7.662 ( 1.168 -3.456 2.165) 4.242 7.831 ( -21.061 -3.176 6.795) 22.356 8.268 ( -7.929 0.496 3.305) 8.604 8.460 ( -8.730 5.415 -1.067) 10.328 8.675 ( -16.772 2.221 -2.917) 17.168 8.909 ( 2.699 -4.849 -2.623) 6.138 9.184 ( 0.703 -4.703 2.226) 5.251 9.432 ( 3.756 1.617 -4.682) 6.216 9.511 ( -0.548 1.306 -4.612) 4.825 9.681 ( 3.908 3.621 1.868) 5.646 9.823 ( -5.493 1.483 5.446) 7.876 10.153 ( -3.749 -10.562 -4.555) 12.098 10.313 ( -0.372 -0.763 -3.389) 3.494 10.533 ( -5.161 -3.658 -0.426) 6.340 10.574 ( -7.579 -4.921 5.368) 10.511 11.169 ( -7.296 -8.642 -2.683) 11.624 11.231 ( 2.874 -2.614 -5.281) 6.556 11.469 ( -0.347 -4.032 -0.858) 4.137 11.632 ( 1.039 -3.278 -4.809) 5.912 11.704 ( -7.232 1.961 5.314) 9.186 12.367 ( 8.426 0.482 0.300) 8.445 12.502 ( 9.819 -1.307 3.112) 10.383 12.613 ( 2.761 1.460 -3.077) 4.384 12.868 ( 3.641 7.564 1.436) 8.517 14.463 ( 1.478 -7.945 1.271) 8.180 14.520 ( 0.192 -2.648 -0.590) 2.719 14.745 ( 0.695 -1.984 -0.410) 2.142 14.988 ( 1.998 9.112 0.111) 9.329 15.158 ( -8.151 1.129 2.707) 8.663 15.525 ( 3.545 3.946 -3.245) 6.219 15.828 ( 7.014 -9.748 1.019) 12.052 16.328 ( -0.236 -7.878 -1.332) 7.993 16.526 ( -3.959 -7.276 -0.201) 8.286 16.887 ( 10.441 2.593 -20.404) 23.067 17.657 ( -13.671 3.781 25.409) 29.100 18.030 ( 0.638 4.308 3.305) 5.467 18.130 ( -0.229 5.915 -0.033) 5.919 18.664 ( 12.316 0.090 -9.977) 15.851 19.344 ( 3.357 -6.193 -3.921) 8.062 19.463 ( -6.930 3.368 -0.267) 7.710 20.318 ( -0.790 -0.978 0.313) 1.296 21.062 ( 4.057 9.506 8.446) 13.348 21.462 ( -0.071 2.974 0.774) 3.074 21.510 ( 2.380 1.532 -1.051) 3.019 21.627 ( -2.857 1.910 -1.909) 3.931 22.172 ( -0.801 -2.008 -0.844) 2.320 22.285 ( -3.425 6.630 0.661) 7.492 22.418 ( -1.709 -0.761 -0.443) 1.923 ======================= Grid point 27 (20/117) ======================= q-point: ( 0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 15.465 2.678 0.714) 15.712 1.886 ( 0.458 2.321 4.260) 4.873 1.968 ( 5.710 -2.485 -5.385) 8.233 2.326 ( 0.422 -4.039 0.469) 4.088 2.732 ( 3.048 -0.316 -0.167) 3.069 2.829 ( -4.010 -3.318 0.884) 5.279 2.865 ( -2.885 -5.057 -3.511) 6.799 3.171 ( 1.397 2.673 -1.919) 3.575 3.192 ( -0.919 0.214 5.411) 5.492 3.264 ( -1.703 5.773 0.810) 6.073 3.415 ( 5.204 -0.546 2.607) 5.846 3.513 ( 1.790 -0.182 -1.638) 2.433 3.759 ( 7.041 1.145 0.162) 7.135 4.024 ( -1.406 -6.766 -2.564) 7.371 4.151 ( -8.225 -2.307 0.468) 8.555 4.265 ( -5.903 -2.375 -0.866) 6.421 4.456 ( -2.540 3.797 4.064) 6.114 4.819 ( 8.082 -4.488 -8.418) 12.503 5.256 ( -11.205 1.764 4.463) 12.189 5.487 ( 0.562 1.980 -1.558) 2.582 5.824 ( 4.892 -2.302 -1.230) 5.545 5.871 ( 5.324 4.058 -0.126) 6.695 6.042 ( 0.808 -1.433 2.057) 2.634 6.132 ( -3.461 1.547 3.320) 5.039 6.330 ( 1.422 6.181 -3.665) 7.325 6.542 ( -2.759 9.681 0.413) 10.075 6.845 ( 2.222 2.700 0.878) 3.606 7.056 ( 5.120 9.078 2.892) 10.817 7.353 ( 4.278 -5.429 -1.650) 7.107 7.596 ( 7.231 -2.418 2.091) 7.906 7.743 ( -3.961 -5.605 2.117) 7.182 7.928 ( -6.375 -13.300 4.780) 15.504 8.142 ( -1.555 9.281 2.087) 9.639 8.305 ( -6.785 0.623 -3.974) 7.888 8.519 ( -19.773 -2.375 -1.012) 19.941 9.054 ( 3.176 -6.676 -2.371) 7.764 9.193 ( -0.346 2.326 2.185) 3.210 9.381 ( 0.308 3.109 0.755) 3.214 9.547 ( 5.750 5.711 -8.429) 11.693 9.694 ( 6.426 -6.293 2.561) 9.352 9.825 ( 3.927 -1.474 2.731) 5.006 10.214 ( -0.073 -0.009 -4.509) 4.510 10.378 ( -12.071 -8.230 2.988) 14.912 10.535 ( -3.397 -2.117 -0.671) 4.058 10.637 ( -7.190 -6.376 1.899) 9.796 11.243 ( -3.698 -3.527 -0.201) 5.114 11.299 ( 2.086 -2.332 -5.493) 6.322 11.569 ( 0.235 -4.575 1.803) 4.923 11.627 ( -4.561 -0.747 5.660) 7.308 11.695 ( 0.376 -3.495 -7.118) 7.939 12.388 ( 6.911 3.883 0.894) 7.978 12.497 ( 0.817 4.870 -1.175) 5.076 12.669 ( 10.230 -0.094 -0.250) 10.234 12.778 ( 1.407 4.264 0.964) 4.593 14.565 ( 1.107 -3.424 -0.232) 3.606 14.597 ( 0.132 -3.211 0.326) 3.230 14.748 ( -0.595 2.288 -0.561) 2.430 14.843 ( 1.399 7.075 0.475) 7.227 15.131 ( -4.658 -3.238 0.890) 5.742 15.501 ( 2.603 0.845 -2.185) 3.502 16.058 ( 4.833 -8.644 1.366) 9.997 16.413 ( 2.228 0.645 -2.875) 3.695 16.622 ( -4.082 -5.865 0.436) 7.159 16.919 ( 8.653 -0.293 -10.478) 13.593 17.542 ( -11.612 0.217 17.152) 20.714 17.941 ( 0.672 6.945 3.036) 7.609 17.993 ( -3.688 4.840 1.708) 6.320 18.750 ( 12.106 -0.098 -11.776) 16.890 19.325 ( -8.743 4.179 2.648) 10.046 19.485 ( 2.710 -6.300 -0.875) 6.914 20.331 ( -0.628 -1.019 -0.250) 1.223 20.930 ( 1.806 7.588 3.451) 8.530 21.394 ( -0.525 2.440 -0.704) 2.593 21.527 ( 0.849 -0.286 0.083) 0.899 21.600 ( -0.032 -0.476 -1.148) 1.243 22.132 ( -0.944 4.558 -1.569) 4.912 22.224 ( -1.520 -1.621 2.171) 3.106 22.421 ( -0.682 -0.864 -0.367) 1.160 ======================= Grid point 28 (21/117) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 5.056 9.381 0.309) 10.661 1.842 ( 7.248 6.213 8.506) 12.786 1.971 ( -3.380 1.839 -9.663) 10.401 2.384 ( 1.224 -1.141 0.248) 1.692 2.641 ( -1.357 9.740 -2.000) 10.036 2.807 ( -3.457 1.658 1.471) 4.106 2.977 ( -0.993 -6.958 1.155) 7.123 3.104 ( 0.739 4.625 -0.498) 4.710 3.153 ( -0.944 2.282 0.035) 2.470 3.155 ( -2.290 3.771 2.601) 5.121 3.482 ( 5.057 -1.025 3.303) 6.127 3.513 ( 1.578 0.009 -3.400) 3.748 3.717 ( 2.026 7.268 -1.599) 7.713 4.095 ( -5.097 -4.625 -0.071) 6.883 4.188 ( 0.948 0.414 -1.347) 1.698 4.282 ( -4.457 -6.226 0.863) 7.706 4.414 ( -1.037 -0.752 2.309) 2.641 4.957 ( 10.078 -3.634 -10.430) 14.952 5.138 ( -12.383 0.421 8.327) 14.928 5.376 ( -1.737 8.269 -1.093) 8.520 5.745 ( 1.487 10.534 0.985) 10.684 5.854 ( 5.910 3.847 0.671) 7.084 5.964 ( -5.308 6.124 -1.653) 8.271 6.262 ( 1.318 -11.240 6.066) 12.840 6.330 ( -1.278 -4.195 2.300) 4.952 6.346 ( -1.169 5.965 -7.476) 9.635 6.801 ( 0.618 1.924 0.618) 2.113 6.957 ( 3.331 4.442 -0.846) 5.616 7.416 ( 0.440 3.081 2.540) 4.017 7.688 ( 6.879 2.778 3.528) 8.215 7.794 ( -5.442 -2.313 -3.204) 6.725 7.987 ( 2.308 -1.544 -1.384) 3.103 8.155 ( 1.492 -5.903 2.920) 6.753 8.342 ( -1.854 -7.649 -1.232) 7.966 8.506 ( -14.734 -12.744 1.719) 19.556 9.110 ( -0.822 0.236 -1.034) 1.342 9.238 ( 5.053 -4.999 -0.397) 7.119 9.354 ( -1.786 -0.539 1.184) 2.209 9.405 ( 1.514 9.925 -0.746) 10.067 9.863 ( 3.660 -5.220 -1.300) 6.507 9.980 ( 17.158 -4.662 -0.120) 17.781 10.194 ( -7.219 -1.569 -2.880) 7.929 10.403 ( -4.861 -3.149 5.533) 8.010 10.579 ( -4.475 -4.413 -0.767) 6.331 10.670 ( -6.668 -1.968 -1.538) 7.121 11.274 ( -1.520 -2.884 0.159) 3.263 11.315 ( 0.266 1.097 -2.175) 2.450 11.504 ( -0.651 5.908 2.894) 6.610 11.737 ( 0.383 -3.489 1.478) 3.808 11.824 ( 0.143 -12.199 -4.662) 13.060 12.323 ( 4.885 7.827 -0.080) 9.227 12.409 ( -0.840 3.532 -0.487) 3.663 12.677 ( 3.571 5.267 0.311) 6.371 12.737 ( 2.554 2.368 -0.006) 3.483 14.596 ( 0.233 3.054 0.476) 3.100 14.634 ( 0.063 -0.803 -0.230) 0.838 14.682 ( -0.789 1.940 -1.031) 2.334 14.768 ( 0.112 0.088 0.455) 0.477 15.168 ( -1.652 -2.016 0.675) 2.693 15.523 ( 2.064 -1.169 -1.365) 2.737 16.185 ( 0.633 1.597 0.751) 1.875 16.361 ( 1.779 1.470 -1.443) 2.721 16.681 ( -1.845 -2.394 1.147) 3.233 17.002 ( 9.023 -0.879 -5.462) 10.584 17.469 ( -11.346 1.279 9.856) 15.083 17.819 ( 0.705 2.907 -0.877) 3.117 17.936 ( -2.334 -0.381 2.709) 3.596 18.822 ( 9.618 0.780 -9.619) 13.625 19.183 ( -7.785 4.042 4.658) 9.932 19.625 ( 1.889 -6.368 0.331) 6.650 20.345 ( -0.257 -0.769 -0.358) 0.886 20.810 ( -0.031 5.829 0.309) 5.838 21.367 ( -0.290 0.041 -0.132) 0.322 21.513 ( -0.218 1.825 0.057) 1.839 21.642 ( 0.926 -3.181 -0.196) 3.319 22.076 ( -0.581 -0.196 -0.329) 0.696 22.244 ( -0.447 -0.859 0.354) 1.032 22.443 ( -0.065 -1.787 0.128) 1.792 ======================= Grid point 29 (22/117) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -0.000 17.407 0.000) 17.407 1.645 ( -0.000 16.562 0.000) 16.562 1.932 ( -0.000 0.816 0.000) 0.816 2.387 ( -0.000 1.649 0.000) 1.649 2.395 ( -0.000 13.033 0.000) 13.033 2.748 ( -0.000 3.024 0.000) 3.024 3.001 ( -0.000 6.066 0.000) 6.066 3.003 ( -0.000 7.436 0.000) 7.436 3.131 ( 0.000 -0.211 -0.000) 0.211 3.140 ( 0.000 -5.103 -0.000) 5.103 3.528 ( 0.000 -2.055 -0.000) 2.055 3.550 ( 0.000 -2.289 -0.000) 2.289 3.575 ( -0.000 5.837 0.000) 5.837 4.108 ( -0.000 3.026 0.000) 3.026 4.127 ( -0.000 3.727 0.000) 3.727 4.401 ( 0.000 -4.723 -0.000) 4.723 4.424 ( 0.000 -0.254 -0.000) 0.254 5.054 ( 0.000 -0.420 -0.000) 0.420 5.124 ( 0.000 -5.388 -0.000) 5.388 5.224 ( -0.000 4.406 0.000) 4.406 5.537 ( -0.000 10.812 0.000) 10.812 5.749 ( -0.000 11.029 0.000) 11.029 5.804 ( -0.000 4.946 0.000) 4.946 6.244 ( -0.000 0.483 0.000) 0.483 6.366 ( 0.000 -0.490 -0.000) 0.490 6.607 ( 0.000 -17.340 -0.000) 17.340 6.820 ( 0.000 -3.552 -0.000) 3.552 6.904 ( -0.000 2.834 0.000) 2.834 7.274 ( -0.000 10.193 0.000) 10.193 7.594 ( -0.000 6.962 0.000) 6.962 7.775 ( -0.000 0.468 0.000) 0.468 8.144 ( 0.000 -10.145 -0.000) 10.145 8.254 ( 0.000 -4.085 -0.000) 4.085 8.506 ( 0.000 -10.802 -0.000) 10.802 8.724 ( 0.000 -11.592 -0.000) 11.592 9.161 ( 0.000 -6.677 -0.000) 6.677 9.211 ( -0.000 10.236 0.000) 10.236 9.354 ( 0.000 -1.790 -0.000) 1.790 9.402 ( 0.000 -8.601 -0.000) 8.601 10.003 ( 0.000 -6.597 -0.000) 6.597 10.059 ( -0.000 3.606 0.000) 3.606 10.248 ( 0.000 -7.207 -0.000) 7.207 10.437 ( -0.000 2.210 0.000) 2.210 10.588 ( -0.000 2.369 0.000) 2.369 10.660 ( 0.000 -5.646 -0.000) 5.646 11.264 ( -0.000 3.834 0.000) 3.834 11.334 ( 0.000 -0.435 -0.000) 0.435 11.381 ( -0.000 3.808 0.000) 3.808 11.777 ( 0.000 -0.245 -0.000) 0.245 12.047 ( 0.000 -9.344 -0.000) 9.344 12.183 ( -0.000 8.631 0.000) 8.631 12.360 ( -0.000 0.366 0.000) 0.366 12.576 ( -0.000 6.340 0.000) 6.340 12.673 ( -0.000 5.346 0.000) 5.346 14.503 ( -0.000 5.410 0.000) 5.410 14.608 ( -0.000 1.864 0.000) 1.864 14.676 ( 0.000 -1.231 -0.000) 1.231 14.838 ( 0.000 -5.396 -0.000) 5.396 15.168 ( -0.000 0.989 0.000) 0.989 15.563 ( 0.000 -1.892 -0.000) 1.892 16.014 ( -0.000 11.914 0.000) 11.914 16.427 ( 0.000 -4.230 -0.000) 4.230 16.666 ( -0.000 3.494 0.000) 3.494 17.030 ( -0.000 3.219 0.000) 3.219 17.358 ( -0.000 2.798 0.000) 2.798 17.867 ( 0.000 -6.052 -0.000) 6.052 17.972 ( 0.000 -4.073 -0.000) 4.073 18.824 ( -0.000 3.333 0.000) 3.333 19.066 ( -0.000 4.962 0.000) 4.962 19.750 ( 0.000 -5.618 -0.000) 5.618 20.351 ( -0.000 0.142 0.000) 0.142 20.714 ( -0.000 4.092 0.000) 4.092 21.382 ( 0.000 -1.575 -0.000) 1.575 21.467 ( -0.000 2.438 0.000) 2.438 21.722 ( 0.000 -4.591 -0.000) 4.591 22.142 ( 0.000 -6.999 -0.000) 6.999 22.246 ( -0.000 0.542 0.000) 0.542 22.485 ( 0.000 -2.366 -0.000) 2.366 ======================= Grid point 34 (23/117) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 5.134 -0.000 4.110) 6.576 1.381 ( 26.258 -0.000 0.069) 26.258 1.847 ( 27.281 -0.000 1.397) 27.317 2.077 ( -2.713 0.000 3.433) 4.376 2.269 ( 7.529 -0.000 -8.192) 11.126 2.282 ( 6.913 -0.000 11.119) 13.093 2.587 ( 8.972 -0.000 -7.566) 11.737 2.771 ( -3.189 0.000 -0.427) 3.217 3.077 ( -11.665 0.000 -9.773) 15.218 3.112 ( -4.601 0.000 4.878) 6.705 3.520 ( -0.305 0.000 -5.570) 5.579 3.565 ( 3.319 -0.000 0.325) 3.335 3.687 ( -0.505 0.000 3.243) 3.282 3.843 ( 5.292 -0.000 8.009) 9.599 4.298 ( -3.752 0.000 -16.445) 16.868 4.440 ( 5.198 -0.000 4.038) 6.583 4.473 ( 13.318 -0.000 -8.293) 15.689 4.980 ( -18.081 0.000 15.190) 23.615 5.303 ( 0.316 -0.000 2.981) 2.998 5.408 ( -0.212 0.000 0.344) 0.404 5.685 ( 11.936 -0.000 5.459) 13.125 5.818 ( 9.513 -0.000 -4.404) 10.483 5.869 ( 2.449 -0.000 -2.993) 3.867 6.249 ( -3.321 0.000 15.462) 15.814 6.566 ( 0.528 -0.000 -8.126) 8.143 6.766 ( 0.887 -0.000 -8.927) 8.971 6.973 ( -1.120 0.000 8.542) 8.615 7.266 ( 6.080 -0.000 1.354) 6.229 7.454 ( 2.536 -0.000 -0.903) 2.692 7.616 ( -8.798 0.000 -8.491) 12.227 7.624 ( 3.495 -0.000 -6.577) 7.448 8.144 ( -6.251 0.000 20.256) 21.199 8.465 ( -14.090 0.000 -3.286) 14.468 8.478 ( -12.219 0.000 10.664) 16.218 8.604 ( -22.260 0.000 1.782) 22.332 8.937 ( -4.560 0.000 -4.877) 6.676 9.126 ( 1.355 -0.000 -2.141) 2.534 9.469 ( -1.051 0.000 -4.027) 4.162 9.577 ( -9.503 0.000 -3.675) 10.189 9.600 ( -10.320 0.000 -2.497) 10.618 9.786 ( -6.593 0.000 -4.429) 7.942 9.972 ( -3.937 0.000 -1.162) 4.104 10.252 ( -2.013 0.000 0.449) 2.062 10.475 ( -0.269 0.000 2.837) 2.850 10.591 ( -4.217 0.000 -1.510) 4.479 10.949 ( -10.717 0.000 0.972) 10.761 11.141 ( 7.308 -0.000 4.206) 8.432 11.176 ( 6.113 -0.000 -9.971) 11.696 11.655 ( -4.340 0.000 -5.253) 6.814 11.762 ( -8.096 0.000 -3.361) 8.766 12.240 ( 11.474 -0.000 -2.233) 11.689 12.347 ( 8.589 -0.000 4.509) 9.701 12.624 ( 2.812 -0.000 -6.918) 7.467 13.202 ( 7.339 -0.000 3.141) 7.983 14.055 ( -4.826 0.000 -0.130) 4.828 14.409 ( 4.422 -0.000 -15.077) 15.712 14.628 ( -3.986 0.000 13.214) 13.802 15.196 ( -2.634 0.000 4.392) 5.121 15.442 ( 1.391 -0.000 3.166) 3.458 15.581 ( -6.597 0.000 -0.451) 6.613 15.750 ( 2.336 -0.000 0.892) 2.501 15.857 ( 0.265 -0.000 1.341) 1.367 16.171 ( -0.829 0.000 0.316) 0.887 17.122 ( 4.985 -0.000 -38.434) 38.756 18.090 ( -1.862 0.000 -0.185) 1.871 18.171 ( 4.246 -0.000 -0.315) 4.258 18.220 ( -1.504 0.000 1.720) 2.284 18.514 ( 12.532 -0.000 1.352) 12.605 18.996 ( 4.148 -0.000 -7.738) 8.780 19.530 ( 4.714 -0.000 -4.580) 6.573 20.279 ( 0.461 -0.000 2.108) 2.158 21.453 ( 1.752 -0.000 -0.727) 1.897 21.564 ( 1.062 -0.000 -2.606) 2.814 21.834 ( -8.077 0.000 32.672) 33.655 21.860 ( -9.362 0.000 0.302) 9.367 22.135 ( 1.455 -0.000 3.949) 4.209 22.169 ( 4.577 -0.000 0.749) 4.638 22.599 ( -7.488 0.000 -9.199) 11.861 ======================= Grid point 35 (24/117) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 0.871 -24.228 3.245) 24.460 1.626 ( 22.647 -4.276 -1.722) 23.111 1.920 ( 18.072 7.186 3.546) 19.769 2.149 ( 4.488 -2.970 -4.262) 6.865 2.331 ( 5.302 -1.501 7.926) 9.653 2.423 ( 5.238 -8.865 -1.156) 10.361 2.688 ( 5.104 -4.681 -4.004) 8.000 2.773 ( -2.409 -3.417 -2.829) 5.048 3.022 ( -7.640 -3.063 -3.872) 9.096 3.140 ( -4.791 -6.891 1.221) 8.481 3.526 ( 0.687 0.423 -2.512) 2.638 3.541 ( 2.365 3.339 -1.517) 4.364 3.639 ( -1.856 3.512 2.847) 4.887 3.915 ( 4.402 -1.182 7.781) 9.017 4.236 ( -1.817 1.375 -12.226) 12.436 4.452 ( 2.602 2.584 1.614) 4.006 4.585 ( 10.805 -1.253 -7.007) 12.939 4.773 ( -13.771 7.274 10.840) 18.975 5.318 ( 1.137 -0.437 1.041) 1.602 5.416 ( -0.553 -1.399 0.491) 1.582 5.775 ( 9.375 1.462 5.117) 10.780 5.876 ( 5.327 1.562 -5.421) 7.759 5.926 ( 10.537 -3.763 -1.190) 11.252 6.242 ( -3.619 0.249 10.961) 11.546 6.585 ( -0.379 -3.648 -3.804) 5.284 6.735 ( -1.646 1.148 -4.554) 4.976 6.959 ( 1.625 2.347 7.751) 8.259 7.326 ( 7.068 -0.598 -2.775) 7.617 7.412 ( -6.124 6.262 -3.891) 9.584 7.531 ( 0.412 -0.631 -3.847) 3.920 7.614 ( -6.120 2.938 1.220) 6.897 8.042 ( -10.126 6.077 7.373) 13.922 8.343 ( -7.868 1.235 9.545) 12.431 8.396 ( -15.395 -2.720 3.801) 16.089 8.564 ( -11.704 -7.705 -0.886) 14.040 8.869 ( -2.052 1.368 -4.986) 5.563 9.121 ( -0.607 2.544 -0.358) 2.639 9.473 ( -1.774 -0.065 -3.813) 4.206 9.540 ( -3.230 -2.322 1.008) 4.104 9.576 ( -11.070 -8.598 -5.821) 15.178 9.732 ( -4.697 0.722 -1.191) 4.899 9.951 ( -1.871 -0.290 -1.531) 2.435 10.293 ( -0.708 -4.279 0.859) 4.421 10.452 ( -0.671 2.162 0.903) 2.437 10.546 ( -2.843 1.173 -0.911) 3.208 10.888 ( -8.446 -2.884 0.121) 8.926 11.199 ( 8.655 0.164 -1.874) 8.857 11.277 ( 2.120 -5.427 -2.087) 6.189 11.578 ( -0.689 1.889 -5.686) 6.031 11.725 ( -10.259 -1.452 -0.267) 10.364 12.324 ( 10.274 -0.566 -0.929) 10.331 12.431 ( 5.469 -1.940 2.803) 6.445 12.635 ( 2.876 0.256 -4.168) 5.070 13.190 ( 4.670 6.586 2.189) 8.365 14.084 ( -2.846 -6.983 0.150) 7.542 14.464 ( 3.501 -2.235 -9.183) 10.078 14.635 ( -2.908 -2.692 9.004) 9.837 15.197 ( -5.331 -0.694 4.111) 6.768 15.371 ( -0.534 7.168 2.871) 7.740 15.537 ( 3.654 -1.028 -2.889) 4.770 15.725 ( 2.763 4.278 -0.895) 5.171 15.955 ( -1.578 -8.342 1.175) 8.571 16.239 ( -1.764 -6.712 0.956) 7.005 17.071 ( 6.706 4.546 -29.304) 30.404 17.934 ( -4.807 10.674 13.941) 18.204 18.163 ( 1.537 2.202 -0.672) 2.769 18.236 ( 0.356 -0.206 -0.906) 0.995 18.640 ( 9.497 -2.175 -1.263) 9.824 19.086 ( 3.168 -6.307 -5.867) 9.178 19.553 ( 2.415 1.106 -3.700) 4.555 20.290 ( 0.329 -0.409 2.031) 2.097 21.439 ( 2.176 4.533 -1.273) 5.187 21.511 ( 0.400 4.198 5.975) 7.313 21.713 ( -1.696 4.769 7.526) 9.070 21.775 ( -7.285 5.210 6.728) 11.202 22.093 ( 2.743 0.204 -1.181) 2.993 22.319 ( -0.541 -5.557 3.211) 6.440 22.501 ( -6.744 3.117 -6.614) 9.947 ======================= Grid point 36 (25/117) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( -1.087 -16.252 2.662) 16.504 1.847 ( 19.467 -0.542 -7.459) 20.854 1.961 ( 15.049 2.846 7.645) 17.118 2.187 ( -0.024 -0.961 -4.172) 4.281 2.480 ( 3.513 -8.209 6.050) 10.786 2.612 ( -0.179 -7.573 -4.258) 8.690 2.770 ( 0.697 -2.181 -0.625) 2.374 2.958 ( 0.908 -16.822 -2.420) 17.020 3.052 ( -1.988 -4.249 0.661) 4.737 3.283 ( -2.416 -9.328 0.305) 9.640 3.422 ( 1.305 7.551 1.952) 7.908 3.545 ( -1.872 3.907 3.410) 5.513 3.584 ( -0.217 -3.840 -6.007) 7.133 3.953 ( 2.611 0.611 5.311) 5.950 4.185 ( -2.693 2.015 -4.448) 5.576 4.372 ( -1.971 5.944 0.774) 6.310 4.581 ( -3.948 3.692 4.595) 7.095 4.687 ( 7.372 -1.358 -6.732) 10.075 5.315 ( -2.218 0.971 0.877) 2.575 5.457 ( 1.187 -2.347 -0.227) 2.640 5.782 ( 1.800 2.247 3.758) 4.734 5.906 ( 8.477 0.549 -3.725) 9.275 6.083 ( 8.932 -2.868 0.083) 9.381 6.188 ( -2.958 3.213 3.898) 5.854 6.648 ( 1.327 1.419 -5.892) 6.204 6.740 ( -1.439 -5.733 3.792) 7.023 6.903 ( 0.444 6.022 4.042) 7.267 7.201 ( -3.242 7.206 -0.724) 7.935 7.411 ( 8.767 3.524 7.270) 11.922 7.480 ( -12.103 -4.951 -3.335) 13.495 7.580 ( 3.312 -0.978 -2.070) 4.026 7.813 ( -9.667 8.916 -0.121) 13.152 8.252 ( -5.400 2.764 7.223) 9.433 8.359 ( -13.393 -3.047 -0.039) 13.736 8.617 ( -5.956 -2.555 -1.491) 6.650 8.889 ( 2.082 -1.407 -3.736) 4.502 9.073 ( -1.116 -2.964 0.673) 3.238 9.477 ( 3.081 0.178 -4.089) 5.123 9.528 ( -2.861 0.462 0.198) 2.905 9.667 ( -3.750 -3.861 -2.163) 5.801 9.731 ( -10.548 -7.708 7.541) 15.084 9.944 ( 0.143 -0.835 -6.357) 6.414 10.385 ( -0.247 -5.401 0.612) 5.441 10.397 ( 1.236 3.833 -1.579) 4.326 10.514 ( -3.457 -0.768 1.914) 4.025 10.938 ( -5.914 -8.028 -0.931) 10.015 11.249 ( 6.842 0.663 -3.229) 7.595 11.385 ( 0.071 -4.680 -1.731) 4.991 11.581 ( 0.755 -2.058 -4.523) 5.026 11.659 ( -8.821 -0.304 3.995) 9.688 12.421 ( 7.494 -1.651 -0.565) 7.694 12.519 ( 5.001 -3.198 1.922) 6.239 12.643 ( 1.611 0.796 -2.257) 2.885 13.056 ( 1.920 9.331 1.388) 9.627 14.264 ( -0.465 -12.045 0.535) 12.066 14.500 ( 1.340 -0.658 -1.758) 2.307 14.697 ( 0.227 -3.486 1.516) 3.808 15.127 ( -3.691 3.400 0.745) 5.074 15.207 ( -0.802 9.103 2.456) 9.463 15.636 ( 2.195 4.610 -1.074) 5.217 15.703 ( 6.025 -8.701 -1.979) 10.767 16.126 ( -1.241 -10.611 0.148) 10.685 16.359 ( -3.033 -7.202 1.020) 7.880 17.016 ( 8.483 4.254 -22.155) 24.102 17.706 ( -8.693 8.989 20.743) 24.221 18.115 ( 0.675 3.737 0.404) 3.819 18.218 ( 0.556 2.658 -0.337) 2.737 18.733 ( 7.774 -1.032 -4.095) 8.847 19.233 ( 1.928 -7.028 -3.765) 8.202 19.501 ( -1.676 4.304 -1.283) 4.793 20.300 ( -0.178 -0.436 0.995) 1.100 21.295 ( 2.326 10.417 5.109) 11.833 21.492 ( 1.500 0.515 2.617) 3.060 21.614 ( -3.724 6.485 1.677) 7.664 21.643 ( 0.080 2.837 -1.238) 3.096 22.127 ( 0.894 -1.827 -0.921) 2.232 22.358 ( -5.327 2.818 0.282) 6.033 22.391 ( -0.614 0.277 -1.385) 1.540 ======================= Grid point 37 (26/117) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 0.355 -7.096 2.334) 7.479 1.931 ( 11.534 2.945 -6.270) 13.454 2.025 ( 5.962 1.656 4.216) 7.487 2.231 ( -1.012 -5.034 -0.479) 5.157 2.660 ( 1.528 -7.844 2.458) 8.361 2.712 ( -2.494 -5.254 -1.742) 6.071 2.804 ( -0.482 -1.071 -2.389) 2.662 3.136 ( -0.001 -4.306 0.987) 4.418 3.241 ( 0.138 -2.157 1.239) 2.491 3.337 ( 2.029 -1.089 -0.215) 2.312 3.399 ( 1.863 -2.856 0.936) 3.536 3.462 ( -3.296 -0.448 0.562) 3.373 3.713 ( 1.883 -9.019 -3.012) 9.693 3.978 ( 3.802 -0.441 4.916) 6.230 4.087 ( -6.520 3.339 -1.929) 7.575 4.242 ( -2.809 4.619 -1.285) 5.556 4.514 ( -1.065 2.918 1.950) 3.668 4.782 ( 5.137 -3.965 -4.641) 7.978 5.246 ( -4.688 3.259 1.446) 5.890 5.503 ( 1.021 -0.938 -0.241) 1.407 5.777 ( 0.541 -1.856 0.831) 2.104 5.948 ( 4.780 1.235 -1.726) 5.230 6.105 ( -2.132 2.644 1.102) 3.570 6.143 ( 3.212 2.111 1.428) 4.101 6.528 ( 1.590 10.813 -2.838) 11.292 6.728 ( -1.966 11.003 1.382) 11.262 6.839 ( -0.849 -3.822 1.509) 4.196 7.215 ( 6.397 -6.142 -0.622) 8.890 7.333 ( 1.534 7.825 5.694) 9.798 7.526 ( -13.390 -2.960 1.429) 13.787 7.615 ( 3.288 -4.194 -4.105) 6.728 7.738 ( 5.167 -5.983 1.743) 8.095 8.190 ( -3.435 0.658 3.773) 5.144 8.279 ( -10.361 0.685 -2.784) 10.751 8.498 ( -4.360 9.544 -1.265) 10.569 8.947 ( 1.718 -5.290 -1.167) 5.683 9.194 ( 0.132 -3.995 0.647) 4.049 9.459 ( 0.243 4.210 0.343) 4.231 9.543 ( 5.170 -5.537 -7.578) 10.715 9.725 ( -3.425 2.762 8.526) 9.594 9.758 ( 0.355 -6.426 0.800) 6.486 10.024 ( -6.953 -10.443 -4.246) 13.245 10.318 ( 0.687 4.749 -1.277) 4.966 10.484 ( 0.717 -4.034 -1.971) 4.547 10.518 ( -3.468 -2.153 3.910) 5.652 11.081 ( -2.679 -9.672 -0.299) 10.041 11.283 ( 3.355 -0.577 -3.379) 4.797 11.456 ( -1.077 -4.299 -0.279) 4.440 11.614 ( -2.509 -0.744 2.004) 3.297 11.638 ( -0.910 -2.127 -1.069) 2.548 12.478 ( 4.361 0.737 -0.148) 4.425 12.594 ( 1.538 3.555 0.757) 3.946 12.660 ( 2.951 -5.049 -1.123) 5.955 12.903 ( 0.691 7.361 0.718) 7.428 14.483 ( 0.579 -9.259 0.531) 9.293 14.524 ( 0.334 -1.646 -0.448) 1.738 14.755 ( 0.455 -1.757 -0.172) 1.823 15.014 ( 1.378 8.953 -0.673) 9.083 15.067 ( -3.781 1.327 1.619) 4.321 15.555 ( 1.017 3.748 -0.927) 3.993 15.935 ( 4.591 -9.294 -0.358) 10.372 16.325 ( 0.049 -9.690 -0.360) 9.697 16.468 ( -2.570 -6.735 0.030) 7.209 16.988 ( 5.911 2.694 -11.308) 13.041 17.525 ( -7.414 4.778 14.040) 16.580 18.036 ( -0.151 4.555 1.308) 4.742 18.127 ( -0.034 7.212 -0.033) 7.212 18.803 ( 5.973 -1.156 -4.815) 7.758 19.367 ( -0.293 -0.962 -2.347) 2.553 19.379 ( -2.325 0.314 1.837) 2.980 20.309 ( -0.297 -0.722 0.118) 0.790 21.119 ( 1.353 9.973 2.896) 10.472 21.459 ( -0.252 4.507 -0.078) 4.515 21.532 ( 0.366 0.186 0.714) 0.824 21.600 ( -0.226 1.192 -1.395) 1.849 22.168 ( 0.664 -1.951 -1.922) 2.818 22.232 ( -2.807 5.317 1.779) 6.270 22.401 ( -0.397 -0.717 -0.159) 0.835 ======================= Grid point 38 (27/117) ======================= q-point: ( 0.70 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( -0.000 2.417 0.000) 2.417 1.920 ( -0.000 1.360 0.000) 1.360 2.013 ( -0.000 2.238 0.000) 2.238 2.330 ( 0.000 -4.689 -0.000) 4.689 2.759 ( -0.000 1.305 0.000) 1.305 2.795 ( 0.000 -0.327 -0.000) 0.327 2.823 ( 0.000 -8.109 -0.000) 8.109 3.183 ( -0.000 3.592 0.000) 3.592 3.184 ( 0.000 -0.218 -0.000) 0.218 3.248 ( -0.000 7.388 0.000) 7.388 3.470 ( 0.000 -2.203 -0.000) 2.203 3.525 ( 0.000 -1.496 -0.000) 1.496 3.904 ( -0.000 8.874 0.000) 8.874 3.917 ( 0.000 -9.780 -0.000) 9.780 4.101 ( 0.000 -7.199 -0.000) 7.199 4.195 ( 0.000 -1.236 -0.000) 1.236 4.441 ( -0.000 3.705 0.000) 3.705 4.898 ( 0.000 -5.686 -0.000) 5.686 5.145 ( -0.000 4.270 0.000) 4.270 5.488 ( -0.000 3.340 0.000) 3.340 5.863 ( 0.000 -2.956 -0.000) 2.956 5.917 ( -0.000 2.257 0.000) 2.257 6.038 ( -0.000 4.687 0.000) 4.687 6.120 ( 0.000 -1.300 -0.000) 1.300 6.337 ( -0.000 7.060 0.000) 7.060 6.514 ( -0.000 9.829 0.000) 9.829 6.864 ( -0.000 1.800 0.000) 1.800 7.106 ( -0.000 10.868 0.000) 10.868 7.415 ( 0.000 -5.413 -0.000) 5.413 7.603 ( 0.000 -9.453 -0.000) 9.453 7.718 ( 0.000 -4.348 -0.000) 4.348 7.935 ( 0.000 -8.111 -0.000) 8.111 8.164 ( -0.000 1.475 0.000) 1.475 8.241 ( 0.000 -2.972 -0.000) 2.972 8.292 ( -0.000 4.705 0.000) 4.705 9.075 ( 0.000 -5.727 -0.000) 5.727 9.196 ( -0.000 1.026 0.000) 1.026 9.384 ( -0.000 3.284 0.000) 3.284 9.592 ( -0.000 8.464 0.000) 8.464 9.730 ( 0.000 -8.909 -0.000) 8.909 9.931 ( 0.000 -9.129 -0.000) 9.129 10.145 ( 0.000 -2.582 -0.000) 2.582 10.271 ( 0.000 -3.098 -0.000) 3.098 10.502 ( 0.000 -0.769 -0.000) 0.769 10.597 ( 0.000 -4.993 -0.000) 4.993 11.210 ( 0.000 -4.232 -0.000) 4.232 11.315 ( 0.000 -1.158 -0.000) 1.158 11.575 ( 0.000 -3.546 -0.000) 3.546 11.598 ( 0.000 -4.132 -0.000) 4.132 11.682 ( 0.000 -2.770 -0.000) 2.770 12.463 ( -0.000 2.672 0.000) 2.672 12.490 ( -0.000 6.908 0.000) 6.908 12.755 ( 0.000 -2.164 -0.000) 2.164 12.789 ( -0.000 5.306 0.000) 5.306 14.574 ( 0.000 -3.559 -0.000) 3.559 14.599 ( 0.000 -2.748 -0.000) 2.748 14.742 ( -0.000 3.233 0.000) 3.233 14.856 ( -0.000 7.316 0.000) 7.316 15.092 ( 0.000 -4.345 -0.000) 4.345 15.519 ( -0.000 0.488 0.000) 0.488 16.109 ( 0.000 -7.075 -0.000) 7.075 16.428 ( -0.000 0.343 0.000) 0.343 16.582 ( 0.000 -6.223 -0.000) 6.223 16.993 ( 0.000 -1.638 -0.000) 1.638 17.451 ( -0.000 1.044 0.000) 1.044 17.956 ( -0.000 9.630 0.000) 9.630 17.957 ( -0.000 3.206 0.000) 3.206 18.850 ( 0.000 -1.047 -0.000) 1.047 19.243 ( -0.000 5.398 0.000) 5.398 19.505 ( 0.000 -6.778 -0.000) 6.778 20.325 ( 0.000 -1.031 -0.000) 1.031 20.949 ( -0.000 8.347 0.000) 8.347 21.388 ( -0.000 2.362 0.000) 2.362 21.534 ( -0.000 0.442 0.000) 0.442 21.600 ( 0.000 -1.332 -0.000) 1.332 22.121 ( -0.000 4.544 0.000) 4.544 22.213 ( 0.000 -2.083 -0.000) 2.083 22.416 ( 0.000 -1.061 -0.000) 1.061 ======================= Grid point 46 (28/117) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( -0.210 0.000 3.629) 3.636 1.747 ( 18.644 -0.000 -0.250) 18.646 2.082 ( 1.452 -0.000 2.160) 2.603 2.169 ( 12.321 -0.000 0.545) 12.333 2.320 ( 1.416 -0.000 -4.335) 4.560 2.462 ( 11.152 -0.000 11.911) 16.317 2.672 ( 4.424 -0.000 -9.290) 10.290 2.720 ( -2.943 0.000 1.316) 3.224 2.875 ( -10.468 0.000 -11.318) 15.417 3.058 ( -3.370 0.000 5.131) 6.139 3.523 ( 2.129 -0.000 -5.224) 5.641 3.596 ( 0.947 -0.000 0.402) 1.029 3.682 ( -0.880 0.000 2.671) 2.812 3.946 ( 4.485 -0.000 8.945) 10.006 4.209 ( -2.979 0.000 -13.334) 13.662 4.492 ( 0.172 -0.000 2.376) 2.382 4.664 ( 11.139 -0.000 -6.127) 12.713 4.750 ( -12.195 0.000 9.306) 15.340 5.327 ( 1.393 -0.000 0.901) 1.659 5.392 ( -1.346 0.000 1.134) 1.760 5.888 ( 1.098 -0.000 0.415) 1.174 5.912 ( 14.429 -0.000 1.719) 14.531 5.975 ( 9.925 -0.000 -5.716) 11.453 6.219 ( -4.914 0.000 12.188) 13.141 6.526 ( -3.745 0.000 -0.688) 3.808 6.694 ( -6.713 0.000 -3.165) 7.422 7.005 ( 2.057 -0.000 5.917) 6.264 7.313 ( -0.327 0.000 -4.893) 4.904 7.446 ( -9.759 0.000 -2.839) 10.164 7.486 ( 2.105 -0.000 -4.285) 4.774 7.717 ( 9.071 -0.000 -0.830) 9.109 8.075 ( -3.455 0.000 1.435) 3.741 8.214 ( -16.111 0.000 -0.326) 16.115 8.260 ( -9.720 0.000 19.277) 21.589 8.437 ( -7.394 0.000 -1.223) 7.495 8.861 ( -3.905 0.000 -3.779) 5.434 9.150 ( 1.907 -0.000 -0.631) 2.009 9.396 ( -7.121 0.000 -4.911) 8.650 9.456 ( -3.459 0.000 -4.429) 5.620 9.481 ( -2.591 0.000 1.151) 2.836 9.715 ( -2.603 0.000 -1.351) 2.933 9.924 ( -1.798 0.000 -0.372) 1.836 10.259 ( 1.778 -0.000 0.403) 1.823 10.461 ( -2.190 0.000 1.796) 2.833 10.541 ( -1.351 0.000 -1.817) 2.264 10.806 ( -6.969 0.000 1.988) 7.247 11.240 ( 3.630 -0.000 -4.025) 5.420 11.270 ( 7.652 -0.000 2.041) 7.919 11.602 ( -1.204 0.000 -3.974) 4.153 11.616 ( -8.612 0.000 -2.639) 9.007 12.394 ( 7.408 -0.000 -0.926) 7.465 12.437 ( 2.027 -0.000 2.756) 3.421 12.655 ( 2.623 -0.000 -3.446) 4.331 13.295 ( 3.641 -0.000 1.577) 3.968 13.992 ( -2.885 0.000 -0.080) 2.886 14.456 ( 5.854 -0.000 -15.333) 16.413 14.583 ( -5.712 0.000 15.104) 16.148 15.161 ( -2.419 0.000 3.272) 4.069 15.444 ( -0.545 0.000 0.870) 1.026 15.553 ( 0.876 -0.000 -1.232) 1.512 15.788 ( 1.997 -0.000 -0.046) 1.998 15.861 ( -0.208 0.000 1.452) 1.467 16.159 ( -0.656 0.000 0.019) 0.656 17.112 ( 2.009 -0.000 -17.007) 17.125 18.066 ( -1.009 0.000 -0.218) 1.033 18.204 ( -0.903 0.000 1.171) 1.478 18.205 ( 0.958 -0.000 -0.084) 0.962 18.672 ( 6.412 -0.000 1.683) 6.629 19.034 ( 2.126 -0.000 -2.953) 3.639 19.593 ( 3.769 -0.000 -3.102) 4.881 20.294 ( 0.703 -0.000 2.143) 2.256 21.475 ( 0.928 -0.000 0.611) 1.111 21.577 ( 1.574 -0.000 -4.410) 4.683 21.719 ( -7.346 0.000 -0.734) 7.383 21.787 ( -5.054 0.000 17.694) 18.401 22.160 ( 0.918 -0.000 1.553) 1.804 22.253 ( 5.508 -0.000 1.928) 5.836 22.466 ( -6.726 0.000 -6.907) 9.641 ======================= Grid point 47 (29/117) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -0.825 -23.435 1.625) 23.506 1.911 ( 11.772 -3.788 -0.858) 12.396 2.100 ( 3.030 0.106 2.090) 3.682 2.225 ( 5.200 2.183 -3.970) 6.897 2.395 ( 0.410 -6.909 3.812) 7.902 2.483 ( 2.245 1.117 2.022) 3.221 2.734 ( 1.016 -2.277 0.408) 2.527 2.744 ( 0.459 -5.219 -3.692) 6.410 2.909 ( -4.210 -9.161 -4.305) 10.963 3.092 ( -1.841 -6.006 1.929) 6.571 3.541 ( 1.583 -0.473 -2.340) 2.864 3.561 ( 0.488 4.323 -0.363) 4.365 3.619 ( -1.248 4.796 2.126) 5.393 3.985 ( 2.012 0.268 4.873) 5.279 4.182 ( -1.542 -0.203 -6.519) 6.702 4.454 ( -1.907 3.547 1.690) 4.367 4.636 ( -3.748 4.324 3.461) 6.688 4.726 ( 5.609 0.214 -3.517) 6.623 5.326 ( -0.200 0.971 0.533) 1.125 5.412 ( -0.026 -2.525 0.417) 2.559 5.854 ( 0.996 3.258 0.919) 3.529 5.996 ( 8.862 1.755 -1.886) 9.229 6.080 ( 5.913 -2.583 -1.075) 6.542 6.199 ( -3.599 -0.854 5.449) 6.586 6.558 ( -1.596 -5.815 0.506) 6.051 6.661 ( -4.472 -2.131 -0.392) 4.969 7.000 ( 1.246 2.708 2.835) 4.113 7.279 ( -6.070 4.161 0.104) 7.360 7.362 ( -1.984 -0.377 -4.036) 4.513 7.505 ( 0.164 -0.228 -2.657) 2.672 7.671 ( 9.276 7.044 2.914) 12.007 7.926 ( -6.592 9.497 -3.021) 11.949 8.175 ( -9.265 -3.476 3.330) 10.441 8.314 ( 0.245 0.445 9.068) 9.082 8.436 ( -5.435 -10.186 -3.278) 12.002 8.830 ( -1.301 -1.330 -2.249) 2.919 9.119 ( 0.158 4.475 0.128) 4.480 9.403 ( -5.365 -6.145 -1.049) 8.225 9.464 ( 0.033 -2.320 -2.474) 3.392 9.524 ( -0.639 -5.036 -0.128) 5.078 9.675 ( -1.989 1.982 -0.138) 2.811 9.931 ( -0.466 -1.275 -0.501) 1.446 10.304 ( 0.916 -2.968 0.446) 3.138 10.439 ( -0.765 0.349 0.234) 0.873 10.511 ( -1.215 2.103 -0.447) 2.469 10.793 ( -3.229 -3.335 0.556) 4.675 11.300 ( 0.844 -3.605 0.226) 3.710 11.327 ( 6.796 0.425 -1.690) 7.015 11.552 ( -2.797 -0.512 -3.562) 4.558 11.589 ( -4.357 -0.096 1.107) 4.497 12.434 ( 3.263 -0.872 -0.053) 3.378 12.487 ( 1.619 -2.670 0.737) 3.209 12.666 ( 1.457 0.420 -1.349) 2.030 13.240 ( 1.341 7.561 0.750) 7.715 14.052 ( -1.060 -8.192 0.036) 8.260 14.501 ( 2.666 -0.565 -5.813) 6.421 14.609 ( -2.166 -5.187 5.841) 8.107 15.143 ( -2.001 0.978 1.462) 2.664 15.371 ( -0.070 6.890 0.626) 6.919 15.585 ( 2.124 -4.143 -1.109) 4.786 15.754 ( 0.964 4.407 -0.267) 4.519 15.942 ( -0.419 -7.591 0.632) 7.629 16.217 ( -0.920 -5.641 0.328) 5.725 17.094 ( 2.054 1.618 -9.728) 10.073 17.904 ( -1.696 12.564 4.833) 13.568 18.176 ( 0.377 2.098 -0.016) 2.132 18.238 ( 0.105 -0.710 -0.371) 0.808 18.738 ( 3.057 -2.137 -0.058) 3.730 19.110 ( 1.032 -6.105 -1.722) 6.427 19.580 ( 1.303 3.453 -1.397) 3.946 20.300 ( 0.283 0.091 1.075) 1.115 21.461 ( 0.783 3.700 -0.537) 3.820 21.533 ( 1.121 3.255 1.776) 3.874 21.641 ( -4.217 2.765 -1.782) 5.348 21.742 ( -1.274 3.493 6.613) 7.587 22.137 ( 2.183 1.552 -0.531) 2.731 22.332 ( 1.481 -1.877 2.833) 3.707 22.395 ( -4.630 1.163 -4.372) 6.473 ======================= Grid point 48 (30/117) ======================= q-point: ( 0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 0.000 -16.524 -0.000) 16.524 2.030 ( 0.000 -1.263 -0.000) 1.263 2.092 ( -0.000 1.735 0.000) 1.735 2.176 ( -0.000 2.382 0.000) 2.382 2.526 ( 0.000 -6.106 -0.000) 6.106 2.580 ( 0.000 -7.979 -0.000) 7.979 2.773 ( 0.000 -1.930 -0.000) 1.930 2.963 ( 0.000 -17.470 -0.000) 17.470 3.039 ( 0.000 -5.803 -0.000) 5.803 3.264 ( 0.000 -10.639 -0.000) 10.639 3.435 ( -0.000 7.391 0.000) 7.391 3.523 ( -0.000 4.841 0.000) 4.841 3.584 ( 0.000 -3.811 -0.000) 3.811 3.987 ( -0.000 0.090 0.000) 0.090 4.145 ( -0.000 3.452 0.000) 3.452 4.348 ( -0.000 6.263 0.000) 6.263 4.559 ( -0.000 2.663 0.000) 2.663 4.750 ( 0.000 -1.136 -0.000) 1.136 5.289 ( -0.000 2.569 0.000) 2.569 5.469 ( 0.000 -2.800 -0.000) 2.800 5.795 ( -0.000 2.818 0.000) 2.818 6.001 ( -0.000 1.757 0.000) 1.757 6.102 ( 0.000 -0.061 -0.000) 0.061 6.211 ( -0.000 1.013 0.000) 1.013 6.651 ( 0.000 -0.997 -0.000) 0.997 6.722 ( 0.000 -5.475 -0.000) 5.475 6.914 ( -0.000 7.234 0.000) 7.234 7.147 ( -0.000 2.334 0.000) 2.334 7.362 ( 0.000 -1.077 -0.000) 1.077 7.547 ( 0.000 -3.557 -0.000) 3.557 7.653 ( -0.000 13.274 0.000) 13.274 7.681 ( 0.000 -1.424 -0.000) 1.424 8.178 ( 0.000 -0.727 -0.000) 0.727 8.266 ( -0.000 2.634 0.000) 2.634 8.573 ( 0.000 -2.308 -0.000) 2.308 8.903 ( 0.000 -2.723 -0.000) 2.723 9.065 ( 0.000 -3.865 -0.000) 3.865 9.500 ( 0.000 -2.782 -0.000) 2.782 9.504 ( 0.000 -1.356 -0.000) 1.356 9.631 ( 0.000 -6.366 -0.000) 6.366 9.648 ( 0.000 -2.975 -0.000) 2.975 9.937 ( -0.000 0.516 0.000) 0.516 10.367 ( 0.000 -2.229 -0.000) 2.229 10.450 ( -0.000 2.241 0.000) 2.241 10.463 ( 0.000 -2.305 -0.000) 2.305 10.890 ( 0.000 -8.053 -0.000) 8.053 11.322 ( -0.000 2.452 0.000) 2.452 11.377 ( 0.000 -3.834 -0.000) 3.834 11.570 ( 0.000 -2.368 -0.000) 2.368 11.591 ( 0.000 -1.918 -0.000) 1.918 12.483 ( 0.000 -1.925 -0.000) 1.925 12.561 ( 0.000 -4.766 -0.000) 4.766 12.653 ( -0.000 1.573 0.000) 1.573 13.071 ( -0.000 9.615 0.000) 9.615 14.261 ( 0.000 -12.784 -0.000) 12.784 14.510 ( 0.000 -0.299 -0.000) 0.299 14.702 ( 0.000 -3.929 -0.000) 3.929 15.095 ( -0.000 2.836 0.000) 2.836 15.207 ( -0.000 9.691 0.000) 9.691 15.654 ( -0.000 5.770 0.000) 5.770 15.752 ( 0.000 -10.945 -0.000) 10.945 16.118 ( 0.000 -10.623 -0.000) 10.623 16.332 ( 0.000 -6.496 -0.000) 6.496 17.060 ( -0.000 2.571 0.000) 2.571 17.659 ( -0.000 11.112 0.000) 11.112 18.120 ( -0.000 3.871 0.000) 3.871 18.222 ( -0.000 2.650 0.000) 2.650 18.791 ( 0.000 -1.957 -0.000) 1.957 19.244 ( 0.000 -7.052 -0.000) 7.052 19.486 ( -0.000 6.269 0.000) 6.269 20.300 ( 0.000 -0.127 -0.000) 0.127 21.320 ( -0.000 9.810 0.000) 9.810 21.526 ( 0.000 -0.325 -0.000) 0.325 21.550 ( -0.000 4.405 0.000) 4.405 21.658 ( -0.000 4.637 0.000) 4.637 22.139 ( 0.000 -0.857 -0.000) 0.857 22.307 ( -0.000 3.384 0.000) 3.384 22.386 ( 0.000 -0.825 -0.000) 0.825 ======================= Grid point 59 (31/117) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 0.000 -0.000 0.000) 0.000 1.913 ( 0.000 -0.000 0.000) 0.000 2.101 ( 0.000 -0.000 0.000) 0.000 2.261 ( 0.000 -0.000 -0.000) 0.000 2.314 ( 0.000 -0.000 0.000) 0.000 2.631 ( 0.000 -0.000 0.000) 0.000 2.689 ( 0.000 -0.000 -0.000) 0.000 2.702 ( -0.000 0.000 0.000) 0.000 2.720 ( 0.000 -0.000 -0.000) 0.000 3.036 ( 0.000 -0.000 0.000) 0.000 3.541 ( 0.000 -0.000 -0.000) 0.000 3.603 ( 0.000 -0.000 0.000) 0.000 3.676 ( 0.000 -0.000 0.000) 0.000 4.003 ( 0.000 -0.000 0.000) 0.000 4.159 ( 0.000 -0.000 0.000) 0.000 4.480 ( 0.000 -0.000 -0.000) 0.000 4.670 ( 0.000 -0.000 0.000) 0.000 4.753 ( 0.000 -0.000 -0.000) 0.000 5.340 ( 0.000 -0.000 -0.000) 0.000 5.381 ( 0.000 -0.000 0.000) 0.000 5.897 ( 0.000 -0.000 0.000) 0.000 6.063 ( 0.000 -0.000 -0.000) 0.000 6.097 ( 0.000 -0.000 -0.000) 0.000 6.142 ( -0.000 0.000 0.000) 0.000 6.482 ( 0.000 -0.000 0.000) 0.000 6.618 ( 0.000 -0.000 -0.000) 0.000 7.033 ( 0.000 -0.000 0.000) 0.000 7.294 ( 0.000 -0.000 -0.000) 0.000 7.345 ( -0.000 0.000 0.000) 0.000 7.498 ( 0.000 -0.000 0.000) 0.000 7.849 ( -0.000 0.000 0.000) 0.000 8.023 ( 0.000 -0.000 0.000) 0.000 8.077 ( 0.000 -0.000 0.000) 0.000 8.214 ( 0.000 -0.000 0.000) 0.000 8.355 ( 0.000 -0.000 0.000) 0.000 8.822 ( 0.000 -0.000 0.000) 0.000 9.171 ( 0.000 -0.000 0.000) 0.000 9.318 ( 0.000 -0.000 0.000) 0.000 9.429 ( 0.000 -0.000 0.000) 0.000 9.467 ( 0.000 -0.000 0.000) 0.000 9.692 ( 0.000 -0.000 0.000) 0.000 9.910 ( 0.000 -0.000 0.000) 0.000 10.280 ( 0.000 -0.000 0.000) 0.000 10.438 ( -0.000 0.000 -0.000) 0.000 10.531 ( 0.000 -0.000 0.000) 0.000 10.751 ( 0.000 -0.000 -0.000) 0.000 11.265 ( 0.000 -0.000 0.000) 0.000 11.358 ( 0.000 -0.000 0.000) 0.000 11.518 ( 0.000 -0.000 0.000) 0.000 11.589 ( 0.000 -0.000 -0.000) 0.000 12.451 ( 0.000 -0.000 0.000) 0.000 12.454 ( 0.000 -0.000 0.000) 0.000 12.675 ( 0.000 -0.000 -0.000) 0.000 13.326 ( 0.000 -0.000 0.000) 0.000 13.968 ( 0.000 -0.000 0.000) 0.000 14.509 ( 0.000 -0.000 -0.000) 0.000 14.531 ( 0.000 -0.000 0.000) 0.000 15.144 ( 0.000 -0.000 0.000) 0.000 15.442 ( 0.000 -0.000 0.000) 0.000 15.561 ( 0.000 -0.000 0.000) 0.000 15.805 ( 0.000 -0.000 -0.000) 0.000 15.860 ( 0.000 -0.000 0.000) 0.000 16.154 ( 0.000 -0.000 0.000) 0.000 17.108 ( 0.000 -0.000 0.000) 0.000 18.058 ( 0.000 -0.000 -0.000) 0.000 18.198 ( 0.000 -0.000 0.000) 0.000 18.211 ( 0.000 -0.000 0.000) 0.000 18.725 ( 0.000 -0.000 0.000) 0.000 19.047 ( 0.000 -0.000 0.000) 0.000 19.621 ( 0.000 -0.000 -0.000) 0.000 20.304 ( 0.000 -0.000 0.000) 0.000 21.483 ( 0.000 -0.000 0.000) 0.000 21.586 ( 0.000 -0.000 0.000) 0.000 21.654 ( 0.000 -0.000 0.000) 0.000 21.766 ( 0.000 -0.000 -0.000) 0.000 22.170 ( 0.000 -0.000 0.000) 0.000 22.350 ( 0.000 -0.000 0.000) 0.000 22.353 ( -0.000 0.000 -0.000) 0.000 ======================= Grid point 107 (32/117) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( -2.556 0.000 24.971) 25.102 0.595 ( 4.840 -0.000 27.060) 27.489 0.968 ( -7.158 0.000 41.839) 42.447 1.608 ( 4.226 -0.000 -21.218) 21.635 1.769 ( -3.032 0.000 -22.569) 22.772 2.325 ( 11.864 -0.000 -17.921) 21.492 2.444 ( -4.792 0.000 16.005) 16.707 2.859 ( -2.696 0.000 0.624) 2.767 3.246 ( -2.006 0.000 1.777) 2.679 3.380 ( 2.224 -0.000 8.545) 8.830 3.397 ( -2.587 0.000 -8.504) 8.889 3.616 ( 0.449 -0.000 0.045) 0.452 3.689 ( -1.207 0.000 -2.867) 3.111 3.695 ( 1.169 -0.000 -1.703) 2.066 3.951 ( 3.336 -0.000 9.469) 10.039 4.211 ( -2.764 0.000 -1.252) 3.034 4.609 ( -12.715 0.000 4.833) 13.602 4.818 ( 2.646 -0.000 7.895) 8.327 5.249 ( 0.568 -0.000 3.457) 3.503 5.274 ( 9.764 -0.000 -12.039) 15.501 5.558 ( -2.093 0.000 -2.163) 3.010 5.615 ( 1.592 -0.000 6.065) 6.271 5.802 ( -3.363 0.000 7.819) 8.512 5.898 ( 8.612 -0.000 -19.876) 21.662 6.501 ( -8.894 0.000 -6.811) 11.202 6.619 ( -4.369 0.000 6.145) 7.540 6.974 ( 2.976 -0.000 0.624) 3.041 6.981 ( 5.125 -0.000 -9.363) 10.674 7.439 ( -8.753 0.000 8.092) 11.920 7.654 ( -0.193 0.000 -3.921) 3.926 8.275 ( 2.960 -0.000 -8.873) 9.354 8.359 ( 10.540 -0.000 -11.890) 15.889 8.612 ( 4.068 -0.000 14.018) 14.597 8.761 ( -6.316 0.000 1.739) 6.551 8.986 ( -8.337 0.000 15.276) 17.403 9.323 ( -19.824 0.000 3.479) 20.127 9.562 ( -11.146 0.000 5.839) 12.583 9.576 ( 3.761 -0.000 -4.993) 6.251 9.683 ( -0.012 0.000 -2.883) 2.883 9.948 ( 10.337 -0.000 -7.066) 12.522 10.302 ( -7.688 0.000 0.925) 7.744 10.306 ( 10.175 -0.000 -5.397) 11.518 10.383 ( -5.958 0.000 3.303) 6.812 10.574 ( -1.909 0.000 3.495) 3.982 10.716 ( -5.455 0.000 -1.525) 5.664 10.806 ( 9.413 -0.000 -0.712) 9.439 11.362 ( -6.948 0.000 6.299) 9.378 11.618 ( -2.071 0.000 1.926) 2.828 11.635 ( 3.590 -0.000 -3.459) 4.985 11.766 ( 5.853 -0.000 -3.627) 6.885 12.074 ( -1.407 0.000 1.437) 2.011 12.210 ( -2.076 0.000 -3.428) 4.008 12.727 ( -16.214 0.000 2.606) 16.422 12.819 ( 4.646 -0.000 -0.839) 4.721 14.260 ( -1.083 0.000 2.992) 3.182 14.514 ( 2.227 -0.000 -7.410) 7.737 15.024 ( -19.631 0.000 5.113) 20.286 15.130 ( -34.794 0.000 2.788) 34.906 15.211 ( 3.509 -0.000 -2.652) 4.398 15.251 ( 1.434 -0.000 -1.615) 2.160 15.889 ( -3.029 0.000 4.479) 5.407 16.122 ( -0.574 0.000 -3.055) 3.108 16.236 ( -77.088 0.000 2.255) 77.121 16.479 ( 36.056 -0.000 -9.363) 37.251 17.373 ( -25.951 0.000 14.461) 29.708 18.027 ( 13.910 -0.000 -11.939) 18.331 18.244 ( 2.211 -0.000 -0.459) 2.258 18.263 ( -0.082 0.000 -0.428) 0.435 18.867 ( -8.408 0.000 10.146) 13.177 19.330 ( -0.809 0.000 -8.938) 8.974 20.417 ( -1.941 0.000 12.103) 12.257 21.073 ( 5.812 -0.000 -14.640) 15.751 21.715 ( -0.902 0.000 9.645) 9.688 22.011 ( -0.706 0.000 -1.504) 1.661 22.039 ( -0.359 0.000 0.021) 0.360 22.079 ( 2.799 -0.000 -3.249) 4.288 22.926 ( -7.962 0.000 2.165) 8.251 23.013 ( 40.369 -0.000 -1.072) 40.383 ======================= Grid point 108 (33/117) ======================= q-point: ( 0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 6.801 -3.614 22.593) 23.870 0.915 ( 2.607 -17.559 19.072) 26.055 1.207 ( 7.899 -21.246 27.071) 35.308 1.720 ( 7.424 -5.762 -18.591) 20.831 1.787 ( 2.104 -7.764 -20.730) 22.236 2.398 ( 9.042 -1.703 -16.187) 18.619 2.512 ( -0.324 -6.976 11.180) 13.181 2.858 ( -5.753 -3.173 4.157) 7.775 3.197 ( -1.123 3.927 1.976) 4.537 3.358 ( 0.443 1.103 -6.249) 6.361 3.394 ( 2.184 2.092 4.434) 5.368 3.633 ( -3.593 -0.930 -0.629) 3.765 3.662 ( 0.645 0.335 -2.998) 3.085 3.707 ( 0.545 -0.831 -0.975) 1.392 4.050 ( 9.101 -2.900 7.896) 12.394 4.235 ( -0.983 -3.728 -2.514) 4.603 4.495 ( -10.089 1.001 2.633) 10.475 4.912 ( 1.540 -5.226 9.330) 10.804 5.241 ( 4.892 2.250 -0.342) 5.395 5.344 ( 10.282 1.961 -13.015) 16.702 5.544 ( 3.352 1.347 -2.860) 4.607 5.648 ( 4.038 -1.329 4.611) 6.272 5.714 ( -1.680 8.268 5.369) 10.001 5.976 ( 8.444 -2.442 -18.265) 20.270 6.308 ( -11.070 2.312 8.156) 13.943 6.649 ( -4.061 -2.436 5.146) 6.994 6.919 ( 5.474 1.314 1.323) 5.783 7.184 ( 0.543 -1.750 -6.169) 6.436 7.308 ( -5.300 1.057 1.253) 5.547 7.598 ( -0.829 4.578 -1.463) 4.877 8.010 ( -8.817 11.389 5.846) 15.544 8.467 ( 8.561 0.826 -14.134) 16.545 8.678 ( -5.838 5.918 5.001) 9.701 8.705 ( 4.114 -1.303 13.339) 14.019 8.990 ( -9.948 -5.778 1.508) 11.603 9.109 ( -19.213 0.011 23.092) 30.040 9.465 ( -2.025 1.761 0.661) 2.764 9.544 ( 3.217 4.937 -5.897) 8.337 9.618 ( -0.981 4.451 -1.655) 4.849 10.071 ( -0.500 -2.513 -6.854) 7.318 10.210 ( -14.068 0.691 6.681) 15.589 10.266 ( -7.283 2.875 1.698) 8.012 10.423 ( 1.111 -3.726 -7.497) 8.446 10.598 ( -0.424 3.436 -1.135) 3.644 10.686 ( -5.371 -10.445 1.367) 11.824 10.880 ( 0.519 0.828 0.626) 1.160 11.341 ( -10.196 1.804 9.324) 13.934 11.461 ( -2.044 2.909 8.022) 8.774 11.620 ( 1.570 2.619 -1.532) 3.417 11.796 ( -1.787 -2.377 0.292) 2.988 12.136 ( 2.716 -3.932 0.484) 4.803 12.206 ( -5.438 -2.341 -1.435) 6.092 12.330 ( -3.799 6.852 12.536) 14.783 12.810 ( 7.421 6.471 -2.414) 10.137 14.249 ( -2.472 -2.733 2.679) 4.556 14.563 ( 3.840 -2.717 -7.641) 8.973 14.818 ( -25.020 -6.919 3.173) 26.152 15.043 ( 11.591 8.189 -1.431) 14.264 15.323 ( -3.339 -5.550 1.909) 6.752 15.443 ( -1.311 -7.332 -6.123) 9.642 15.761 ( -2.329 3.327 -3.098) 5.108 15.903 ( -0.265 -2.140 -0.727) 2.276 16.348 ( -10.364 -14.996 0.779) 18.246 16.709 ( 4.139 -2.650 4.234) 6.487 17.327 ( -2.301 -3.435 2.690) 4.933 18.172 ( 14.519 -4.017 -8.463) 17.279 18.223 ( -0.184 2.137 0.322) 2.169 18.277 ( 4.589 -0.740 -0.851) 4.725 18.877 ( -4.570 -4.117 12.567) 13.991 19.402 ( -1.432 -7.446 -11.853) 14.070 20.427 ( -1.898 -1.112 11.297) 11.509 21.075 ( 5.241 2.435 -13.546) 14.727 21.671 ( -1.441 4.491 6.841) 8.309 21.775 ( 5.917 18.038 7.836) 20.538 22.025 ( -1.987 2.303 2.597) 4.000 22.166 ( 1.757 -3.807 -0.088) 4.194 22.734 ( -10.336 11.172 0.351) 15.224 22.851 ( 6.946 19.604 6.796) 21.880 ======================= Grid point 109 (34/117) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 4.174 -8.702 15.040) 17.870 1.248 ( 6.292 -12.589 13.414) 19.442 1.745 ( 8.380 -19.678 10.271) 23.726 1.872 ( 6.127 -8.974 -15.745) 19.131 2.025 ( 8.346 -11.687 -10.124) 17.570 2.499 ( 5.817 -3.814 -15.008) 16.541 2.680 ( -0.459 -8.368 9.124) 12.388 2.919 ( -3.609 -7.417 5.543) 9.938 3.098 ( -0.148 5.578 0.089) 5.580 3.329 ( -2.224 2.356 -5.050) 6.000 3.381 ( 5.383 0.714 1.312) 5.586 3.589 ( -0.855 1.435 -5.498) 5.746 3.670 ( -5.039 -3.092 0.794) 5.965 3.775 ( 2.662 -3.907 1.420) 4.936 4.178 ( 6.267 -2.646 7.459) 10.096 4.315 ( -0.156 -4.755 -1.900) 5.123 4.432 ( -3.709 -0.032 0.418) 3.733 5.024 ( -2.404 -5.180 6.560) 8.697 5.252 ( 8.920 2.001 0.170) 9.143 5.329 ( 5.530 3.798 -7.787) 10.278 5.478 ( -6.336 8.400 2.909) 10.916 5.552 ( 4.747 1.436 -2.393) 5.507 5.766 ( 9.213 -2.319 0.505) 9.514 6.066 ( 7.695 -2.590 -14.095) 16.266 6.351 ( -1.407 -8.128 5.953) 10.173 6.651 ( -5.085 -2.043 4.422) 7.041 6.979 ( 5.992 -0.640 3.799) 7.124 7.031 ( -2.302 9.679 3.500) 10.547 7.282 ( -0.913 3.384 -4.921) 6.042 7.567 ( 0.584 -1.287 2.539) 2.906 7.808 ( -5.289 5.618 2.150) 8.010 8.425 ( -3.196 10.469 -7.002) 12.994 8.468 ( 0.497 4.923 2.565) 5.574 8.743 ( 1.130 3.391 4.076) 5.421 8.996 ( -9.093 -3.115 -1.357) 9.707 9.069 ( -6.452 -2.141 18.809) 20.000 9.406 ( -4.216 3.819 -3.421) 6.638 9.500 ( 2.577 2.800 -2.898) 4.783 9.535 ( 0.117 1.343 -2.377) 2.733 9.990 ( -18.597 1.552 3.105) 18.918 10.059 ( -0.545 6.663 3.255) 7.436 10.173 ( -13.462 -2.016 -4.108) 14.219 10.467 ( 0.283 -0.484 2.232) 2.301 10.558 ( -1.505 0.584 3.660) 4.000 10.826 ( 1.771 0.316 -3.614) 4.037 10.874 ( -7.206 -12.361 -0.745) 14.327 11.324 ( 3.096 -2.911 6.548) 7.806 11.484 ( -2.609 0.676 1.639) 3.155 11.622 ( -3.029 -4.466 -0.673) 5.438 11.862 ( 5.029 -3.996 0.273) 6.429 12.145 ( -10.331 -1.924 -0.554) 10.523 12.260 ( 3.221 -3.550 6.635) 8.185 12.403 ( 5.773 -5.088 -3.212) 8.338 12.714 ( 10.232 9.573 -4.398) 14.686 14.320 ( -0.665 -5.193 0.983) 5.327 14.602 ( 3.800 1.137 -3.141) 5.059 14.762 ( -9.477 -1.609 1.379) 9.711 14.985 ( 6.766 5.946 -3.183) 9.553 15.261 ( 1.589 6.323 1.335) 6.655 15.595 ( -7.530 -12.155 -1.661) 14.395 15.676 ( 2.977 5.170 -2.028) 6.302 16.090 ( 4.461 -10.935 -9.315) 15.041 16.523 ( -4.374 -8.164 2.049) 9.486 16.684 ( -22.827 -5.469 10.756) 25.820 17.411 ( 20.078 2.850 -6.635) 21.337 18.137 ( 1.546 6.163 -0.943) 6.424 18.206 ( 1.642 4.091 0.794) 4.480 18.528 ( 12.953 -12.237 -4.491) 18.376 18.953 ( -3.808 -5.233 12.266) 13.868 19.509 ( -1.507 -5.706 -10.205) 11.789 20.449 ( -2.237 -1.336 9.868) 10.206 21.035 ( 5.307 4.789 -8.922) 11.432 21.511 ( 3.481 11.468 8.019) 14.421 21.579 ( 1.713 7.251 4.328) 8.617 21.927 ( -5.311 5.194 4.336) 8.601 22.240 ( 1.790 -2.262 1.349) 3.185 22.480 ( -6.581 7.660 -2.277) 10.352 22.588 ( -0.109 10.843 1.268) 10.917 ======================= Grid point 110 (35/117) ======================= q-point: ( 0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 1.374 -12.491 9.938) 16.021 1.528 ( 7.746 -9.542 7.324) 14.306 2.001 ( 1.298 -7.336 -8.961) 11.653 2.137 ( 3.555 -10.238 5.105) 11.979 2.313 ( 12.258 -10.377 -5.921) 17.117 2.584 ( 3.011 -3.290 -11.527) 12.360 2.827 ( -1.551 -6.934 5.206) 8.808 3.008 ( 1.690 3.383 -0.232) 3.789 3.082 ( 1.519 -8.063 2.400) 8.548 3.235 ( -2.506 4.116 -2.709) 5.528 3.414 ( 4.322 1.722 -1.038) 4.766 3.597 ( 0.814 -3.142 -3.156) 4.527 3.694 ( -4.278 -2.679 0.486) 5.071 3.868 ( 1.589 -3.308 1.101) 3.832 4.252 ( -1.825 -2.039 1.308) 3.033 4.374 ( 1.955 -0.210 4.297) 4.725 4.455 ( 1.484 -3.483 -1.238) 3.984 5.053 ( -10.492 -2.200 7.569) 13.123 5.293 ( 8.900 3.957 -2.608) 10.083 5.322 ( 4.782 -2.237 1.017) 5.377 5.372 ( 4.492 -0.130 -1.164) 4.642 5.601 ( 6.036 -2.276 -3.509) 7.343 5.865 ( 3.539 -2.831 1.292) 4.713 6.153 ( 8.354 -0.014 -10.372) 13.318 6.494 ( 0.105 -5.499 5.415) 7.718 6.685 ( -4.451 -2.951 2.570) 5.927 6.778 ( -0.269 11.903 -5.692) 13.197 7.033 ( 4.660 0.899 4.808) 6.756 7.277 ( 2.016 -2.106 5.516) 6.239 7.527 ( -5.701 5.611 4.089) 8.984 7.756 ( 2.093 -3.242 -2.826) 4.783 8.139 ( -6.406 12.085 -0.765) 13.700 8.408 ( 1.358 5.171 -12.257) 13.373 8.586 ( 0.275 9.753 2.487) 10.069 8.975 ( -6.188 -0.228 3.090) 6.920 9.136 ( -3.420 -5.229 11.424) 13.021 9.290 ( -8.513 0.450 -5.511) 10.151 9.420 ( 1.420 5.167 2.939) 6.112 9.497 ( -0.509 4.916 0.483) 4.966 9.744 ( -16.973 7.554 6.748) 19.765 10.044 ( -4.173 -3.038 -4.422) 6.797 10.150 ( -0.514 -3.558 -3.445) 4.979 10.465 ( -3.795 -0.983 11.240) 11.904 10.555 ( 3.604 0.584 2.524) 4.438 10.916 ( 4.361 -6.372 -11.364) 13.739 11.009 ( -7.107 -7.211 -0.417) 10.133 11.414 ( -1.463 0.530 0.008) 1.556 11.434 ( 2.684 -0.909 5.423) 6.119 11.672 ( -8.175 -5.101 -0.218) 9.638 12.013 ( 10.473 -3.862 -1.863) 11.317 12.085 ( -12.609 -1.314 1.527) 12.769 12.358 ( 3.141 -3.080 5.972) 7.418 12.472 ( 2.902 2.389 -8.113) 8.942 12.654 ( 8.122 2.691 -1.507) 8.688 14.419 ( 1.039 -4.583 -0.198) 4.703 14.595 ( 1.622 0.890 -0.941) 2.076 14.747 ( -3.041 -1.812 1.998) 4.065 14.901 ( 2.691 6.263 -1.773) 7.043 15.207 ( 3.773 1.891 -1.104) 4.363 15.553 ( -6.416 2.334 1.512) 6.993 15.828 ( 0.522 -11.735 -1.266) 11.815 16.303 ( 3.932 -8.656 -6.786) 11.681 16.516 ( -12.712 -0.141 7.070) 14.546 16.720 ( -10.472 -9.658 1.015) 14.282 17.510 ( 22.628 3.666 -9.589) 24.848 18.009 ( 0.181 7.707 0.012) 7.709 18.111 ( 0.488 6.557 1.496) 6.743 18.812 ( 3.385 -9.346 4.076) 10.744 19.038 ( 0.881 -4.431 5.017) 6.751 19.558 ( -1.975 -1.681 -6.076) 6.606 20.459 ( -2.891 -0.703 8.176) 8.700 20.961 ( 4.592 5.984 -3.484) 8.309 21.397 ( 3.665 4.502 2.311) 6.248 21.472 ( 0.314 4.518 -0.831) 4.605 21.781 ( -6.183 4.897 2.778) 8.362 22.259 ( 3.248 5.653 -3.736) 7.514 22.318 ( -3.214 1.997 5.419) 6.610 22.461 ( -1.856 2.421 -2.445) 3.910 ======================= Grid point 111 (36/117) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 0.680 -9.852 8.239) 12.861 1.744 ( 7.595 -5.411 4.982) 10.573 2.086 ( -5.022 -3.626 -3.050) 6.904 2.263 ( 0.606 -1.704 2.287) 2.916 2.588 ( 9.354 -7.986 -4.082) 12.959 2.657 ( 3.982 -3.587 -12.088) 13.223 2.900 ( -2.841 -2.892 -1.312) 4.261 3.037 ( 3.140 -3.271 2.342) 5.104 3.151 ( 0.068 1.924 -1.707) 2.574 3.209 ( 3.116 -2.231 -1.080) 3.982 3.376 ( 0.994 3.989 1.007) 4.232 3.650 ( -1.473 -0.248 6.065) 6.246 3.695 ( -2.287 -0.460 -0.097) 2.335 3.939 ( 1.141 -4.207 -5.212) 6.795 4.247 ( -2.470 -0.245 -2.510) 3.530 4.349 ( -0.231 2.859 -0.546) 2.920 4.556 ( 4.183 -2.409 4.595) 6.665 5.000 ( -13.903 -2.198 9.832) 17.170 5.313 ( 10.966 1.869 -6.749) 13.011 5.399 ( 0.752 -4.729 -0.732) 4.844 5.547 ( 12.079 -7.320 4.998) 14.982 5.684 ( 1.213 -2.099 -3.373) 4.154 5.958 ( 1.670 -4.641 -2.855) 5.699 6.136 ( 4.004 5.294 -4.145) 7.825 6.503 ( -3.645 7.713 1.957) 8.752 6.581 ( -0.603 -2.414 7.795) 8.182 6.772 ( 1.780 -1.024 -0.938) 2.258 7.026 ( 0.098 4.539 7.092) 8.421 7.287 ( 2.782 3.091 -1.971) 4.602 7.428 ( -4.687 -2.669 -0.845) 5.460 7.862 ( -1.613 -3.531 2.906) 4.849 7.908 ( 1.153 8.970 -9.282) 12.959 8.251 ( -0.158 4.150 -10.943) 11.705 8.480 ( 2.997 6.034 2.449) 7.168 8.951 ( -0.359 -1.565 1.021) 1.902 9.120 ( -12.678 -0.901 -0.983) 12.748 9.268 ( 3.377 7.316 1.623) 8.220 9.380 ( 1.252 -2.730 8.440) 8.958 9.399 ( -0.532 1.924 8.103) 8.346 9.534 ( -12.617 1.292 -3.515) 13.161 10.009 ( -6.326 1.806 5.959) 8.876 10.242 ( 2.874 -3.140 -1.537) 4.526 10.508 ( -0.689 -3.246 2.934) 4.430 10.582 ( 4.163 0.413 2.406) 4.826 11.037 ( -5.054 -1.506 0.431) 5.291 11.073 ( 3.123 -8.089 -13.442) 15.996 11.368 ( 2.065 2.276 -0.434) 3.104 11.481 ( -3.132 -1.426 5.278) 6.301 11.694 ( -5.612 -3.029 -0.530) 6.399 11.998 ( -10.010 0.852 3.048) 10.498 12.140 ( 9.523 -1.095 -3.175) 10.098 12.384 ( -1.240 5.144 -6.974) 8.754 12.446 ( 2.364 -2.979 5.681) 6.836 12.687 ( 2.922 -0.291 -0.716) 3.022 14.509 ( 1.182 -3.900 -0.727) 4.139 14.608 ( 1.090 -1.258 -0.586) 1.764 14.764 ( -0.080 -0.240 1.338) 1.362 14.798 ( 0.859 5.596 -0.767) 5.714 15.222 ( 2.507 -0.613 -0.195) 2.588 15.485 ( -6.204 -0.194 2.059) 6.539 16.044 ( 2.243 -8.596 -3.027) 9.385 16.393 ( -5.712 0.586 7.366) 9.339 16.502 ( -1.254 -7.170 -5.935) 9.392 16.812 ( -4.962 -6.040 -0.611) 7.840 17.597 ( 20.791 5.093 -11.528) 24.312 17.865 ( -1.429 5.866 1.612) 6.249 17.991 ( 0.169 5.239 0.020) 5.242 18.905 ( -11.719 -2.967 17.347) 21.144 19.183 ( 10.491 -5.836 -7.011) 13.903 19.530 ( -3.005 1.606 -2.910) 4.481 20.454 ( -2.669 -0.396 7.163) 7.655 20.880 ( 2.870 5.253 -1.151) 6.095 21.367 ( 1.607 1.573 -1.045) 2.479 21.435 ( 1.381 -0.151 -3.460) 3.728 21.670 ( -3.923 2.489 2.156) 5.122 22.128 ( 0.816 6.182 -2.563) 6.742 22.320 ( -0.645 -0.334 4.257) 4.319 22.427 ( -0.707 0.090 -1.688) 1.832 ======================= Grid point 112 (37/117) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 0.966 -2.708 8.883) 9.336 1.840 ( 4.634 1.668 2.336) 5.451 2.046 ( -9.386 1.536 4.320) 10.446 2.266 ( 1.307 1.109 -5.205) 5.480 2.624 ( -3.105 2.447 -3.535) 5.303 2.785 ( 3.821 -2.547 -10.060) 11.058 2.974 ( 3.936 -4.706 -3.840) 7.238 3.104 ( 0.576 -1.559 -1.369) 2.154 3.123 ( -0.766 1.781 -0.898) 2.136 3.251 ( 2.571 1.253 2.874) 4.054 3.319 ( 1.693 0.124 0.215) 1.711 3.596 ( -4.639 2.355 7.886) 9.448 3.674 ( -0.693 2.299 1.540) 2.853 4.040 ( 0.142 -5.824 -8.309) 10.148 4.222 ( 0.155 1.641 -0.766) 1.817 4.324 ( 2.873 -0.448 -4.831) 5.638 4.579 ( -0.289 2.045 7.186) 7.477 4.941 ( -10.798 -0.363 9.622) 14.468 5.369 ( 7.331 0.056 -6.430) 9.752 5.465 ( -0.241 -0.493 -0.352) 0.652 5.669 ( -2.158 2.026 -0.613) 3.023 5.745 ( 0.979 -3.686 3.134) 4.936 5.949 ( 0.180 4.029 -7.252) 8.298 6.145 ( 3.997 -2.694 -2.764) 5.557 6.457 ( -2.949 -3.032 3.280) 5.352 6.575 ( -0.466 0.682 13.594) 13.619 6.751 ( -1.721 2.734 3.593) 4.832 6.918 ( 0.815 3.473 3.101) 4.727 7.354 ( 2.229 -6.665 -3.062) 7.666 7.466 ( 1.783 -1.650 -0.314) 2.450 7.682 ( -0.670 13.109 -15.236) 20.110 7.917 ( 1.642 -6.404 -1.343) 6.746 8.334 ( 0.078 9.868 -1.549) 9.989 8.348 ( 5.430 -8.317 -1.295) 10.016 9.012 ( -2.078 0.039 -1.129) 2.365 9.061 ( -1.678 -4.254 -1.542) 4.826 9.180 ( 9.607 5.719 4.125) 11.917 9.343 ( -5.266 -0.253 9.965) 11.273 9.468 ( -4.997 -1.907 -5.784) 7.878 9.545 ( 2.108 -7.597 5.029) 9.351 9.908 ( -5.102 4.476 9.156) 11.397 10.302 ( -1.180 -2.307 4.190) 4.926 10.526 ( 0.186 0.896 0.627) 1.109 10.585 ( 1.768 2.962 -1.231) 3.662 11.023 ( 3.387 1.782 -2.132) 4.381 11.215 ( 2.243 -4.857 -12.441) 13.543 11.377 ( 0.020 -3.098 0.390) 3.123 11.461 ( -4.496 0.246 4.034) 6.046 11.701 ( -1.734 -1.202 -1.510) 2.594 11.909 ( -5.680 2.301 6.021) 8.591 12.208 ( 7.894 0.767 -3.443) 8.646 12.252 ( -6.863 4.287 -4.405) 9.213 12.520 ( 1.123 -2.536 4.225) 5.054 12.697 ( 0.532 0.589 -0.977) 1.259 14.562 ( 0.401 -0.027 -1.412) 1.468 14.645 ( 0.011 -0.682 0.630) 0.928 14.702 ( -1.430 2.460 -1.477) 3.206 14.771 ( 0.622 -0.860 1.079) 1.513 15.257 ( 2.661 -0.533 0.710) 2.805 15.459 ( -4.871 -1.190 2.251) 5.496 16.087 ( 2.958 6.429 -4.953) 8.638 16.402 ( -5.973 -5.595 7.569) 11.148 16.615 ( 3.707 -3.380 -5.404) 7.373 16.874 ( -2.588 -4.043 -0.281) 4.809 17.564 ( 11.632 9.441 -9.879) 17.945 17.816 ( -0.640 -0.809 0.585) 1.186 17.967 ( 5.167 -1.255 -2.898) 6.055 18.822 ( -16.068 1.427 16.971) 23.414 19.378 ( 10.365 -6.289 -6.902) 13.951 19.462 ( -3.553 2.155 -0.263) 4.164 20.453 ( -1.687 -0.363 7.518) 7.713 20.802 ( 0.756 4.400 -1.211) 4.626 21.367 ( -0.210 -1.229 -1.167) 1.708 21.450 ( 0.992 0.050 -4.851) 4.952 21.636 ( -0.696 -0.677 2.272) 2.471 22.064 ( -0.014 0.022 -2.694) 2.694 22.311 ( -0.136 1.419 3.777) 4.037 22.438 ( 0.388 -1.291 -0.835) 1.586 ======================= Grid point 113 (38/117) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( -1.485 7.797 12.675) 14.955 1.752 ( -1.238 8.335 -1.949) 8.649 1.929 ( -5.988 3.688 4.880) 8.560 2.228 ( -1.219 2.902 -7.971) 8.570 2.500 ( -5.802 5.481 -2.302) 8.307 2.772 ( -1.954 4.110 -8.065) 9.260 2.972 ( 1.104 5.938 -0.872) 6.102 3.082 ( 0.398 2.756 -2.708) 3.884 3.141 ( 0.641 -2.931 1.306) 3.272 3.262 ( 2.934 -1.415 -1.511) 3.590 3.396 ( 2.370 -4.106 0.833) 4.813 3.525 ( -3.717 4.858 5.364) 8.136 3.603 ( -3.788 0.694 0.121) 3.853 4.096 ( -1.968 -0.402 -7.288) 7.559 4.204 ( 2.620 2.029 3.512) 4.828 4.389 ( 6.285 -1.977 -3.866) 7.639 4.533 ( -1.153 0.931 3.489) 3.791 4.861 ( -8.331 1.546 9.443) 12.687 5.345 ( -4.431 3.269 0.905) 5.580 5.443 ( -0.632 1.205 -4.266) 4.478 5.581 ( 1.567 5.882 -0.498) 6.108 5.716 ( -6.732 1.768 -0.189) 6.963 5.869 ( -4.581 3.861 1.022) 6.078 6.143 ( -0.039 2.939 -8.223) 8.733 6.525 ( -1.299 -7.283 2.270) 7.739 6.650 ( -0.719 0.319 9.742) 9.773 6.759 ( 0.369 -7.861 -2.630) 8.297 6.958 ( 3.489 -4.847 9.940) 11.597 7.322 ( -2.705 10.531 -4.161) 11.642 7.523 ( 2.460 -3.512 -1.593) 4.574 7.607 ( 6.751 -4.070 -4.155) 8.911 8.057 ( 2.987 0.415 -2.043) 3.643 8.233 ( 1.227 -6.782 -8.898) 11.255 8.531 ( 4.970 -5.270 2.876) 7.794 8.988 ( 5.881 2.020 -2.137) 6.575 9.113 ( -0.648 -0.664 -2.984) 3.125 9.218 ( 11.681 0.608 5.712) 13.017 9.367 ( -5.572 -5.401 11.010) 13.470 9.499 ( -2.076 -4.443 -4.214) 6.466 9.695 ( 4.549 -4.210 -1.534) 6.386 9.802 ( -3.861 2.559 9.451) 10.525 10.327 ( -0.149 -0.747 6.019) 6.067 10.494 ( -4.062 4.250 2.258) 6.297 10.513 ( 1.551 1.252 -1.076) 2.265 11.007 ( 12.108 6.146 -5.708) 14.730 11.249 ( 1.134 1.104 -7.843) 8.001 11.429 ( -0.979 -0.052 -0.080) 0.983 11.468 ( -10.363 -8.111 3.949) 13.740 11.713 ( 0.753 -0.267 -3.102) 3.203 11.843 ( 2.935 3.650 7.208) 8.596 12.110 ( -7.310 3.529 -4.045) 9.069 12.229 ( 4.835 2.289 -1.891) 5.674 12.569 ( -1.684 -2.600 1.607) 3.490 12.670 ( -1.552 1.713 -1.200) 2.604 14.505 ( -0.592 4.836 -1.261) 5.032 14.584 ( -1.855 3.563 0.229) 4.023 14.719 ( -1.142 -2.470 0.179) 2.727 14.828 ( -0.368 -4.397 0.192) 4.416 15.284 ( 4.424 0.304 -0.823) 4.510 15.450 ( -5.350 -1.660 2.995) 6.352 15.913 ( 3.830 12.532 -2.255) 13.296 16.431 ( -3.019 0.293 2.083) 3.680 16.664 ( 3.646 1.143 -2.650) 4.650 16.938 ( -3.684 -4.956 2.458) 6.646 17.494 ( 12.974 5.119 -13.327) 19.291 17.859 ( -3.492 -5.256 1.410) 6.466 18.066 ( 6.219 -3.160 -2.716) 7.486 18.657 ( -17.204 3.269 13.042) 21.835 19.396 ( -3.661 2.061 2.659) 4.972 19.562 ( 7.686 -5.854 -6.392) 11.584 20.457 ( -0.679 -0.070 8.892) 8.918 20.721 ( -0.721 3.750 -1.726) 4.190 21.389 ( -1.171 -0.230 -1.579) 1.980 21.440 ( -0.718 -1.252 -3.664) 3.938 21.687 ( 2.503 -3.338 2.127) 4.683 22.127 ( -1.283 -6.891 -2.278) 7.370 22.284 ( 0.938 1.615 3.182) 3.689 22.471 ( 1.195 -1.365 -0.659) 1.930 ======================= Grid point 114 (39/117) ======================= q-point: (-0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( -6.999 13.818 13.746) 20.709 1.526 ( -7.603 11.061 3.274) 13.816 1.823 ( 0.626 6.821 1.652) 7.046 2.095 ( -5.492 6.702 -12.045) 14.838 2.330 ( -6.061 7.816 -2.346) 10.165 2.593 ( -4.890 9.417 -4.589) 11.561 2.838 ( 1.181 8.662 3.870) 9.560 3.076 ( -0.412 -2.033 -4.887) 5.309 3.189 ( 1.472 0.231 0.341) 1.528 3.252 ( -2.833 4.780 3.735) 6.695 3.376 ( 0.957 2.442 -4.152) 4.911 3.515 ( 2.328 -4.489 -1.627) 5.312 3.614 ( -3.198 -3.275 1.021) 4.690 3.990 ( -2.817 7.701 -3.085) 8.761 4.156 ( 0.232 5.339 7.553) 9.253 4.425 ( 0.189 0.320 -0.383) 0.534 4.581 ( 4.168 -2.180 -2.695) 5.420 4.811 ( -2.732 -1.293 7.206) 7.814 5.261 ( -5.483 0.604 1.097) 5.624 5.366 ( -4.812 3.942 3.975) 7.382 5.495 ( 2.453 3.997 -6.892) 8.337 5.644 ( -5.103 0.130 -3.596) 6.244 5.754 ( -8.364 1.108 5.803) 10.239 6.088 ( 0.406 2.716 -10.725) 11.071 6.557 ( -5.498 0.734 5.189) 7.595 6.706 ( 5.084 -2.463 -2.336) 6.114 6.881 ( -1.514 -2.207 -6.719) 7.232 7.022 ( -3.286 -1.163 9.141) 9.783 7.309 ( -1.160 -11.745 11.599) 16.548 7.557 ( 1.469 1.668 -2.320) 3.213 7.696 ( 4.202 -0.874 -2.662) 5.050 8.094 ( 7.207 -3.864 -6.316) 10.332 8.461 ( 0.666 -11.965 -5.607) 13.230 8.617 ( 3.201 -0.219 4.689) 5.682 9.029 ( 10.987 0.666 -4.195) 11.779 9.124 ( 2.976 0.231 5.141) 5.944 9.301 ( 4.051 -1.794 5.892) 7.372 9.473 ( 3.353 -5.397 5.429) 8.357 9.568 ( -6.192 -5.771 1.546) 8.605 9.716 ( 6.575 1.959 -12.510) 14.268 9.873 ( 4.425 -6.186 7.284) 10.531 10.360 ( 2.016 0.576 9.473) 9.702 10.373 ( 1.518 4.699 -0.136) 4.940 10.522 ( -4.285 -2.713 2.012) 5.456 10.963 ( 14.540 9.084 -5.291) 17.942 11.168 ( -0.976 6.535 -5.817) 8.804 11.450 ( -0.954 -2.607 1.481) 3.146 11.501 ( -17.556 -6.067 7.138) 19.899 11.698 ( 6.728 3.697 -3.980) 8.647 11.825 ( 0.427 2.718 3.432) 4.399 12.034 ( 0.820 -0.289 -1.449) 1.690 12.196 ( 3.683 4.156 -1.239) 5.690 12.594 ( -2.763 0.920 0.833) 3.029 12.611 ( -6.524 -2.109 -4.184) 8.032 14.394 ( -0.075 5.897 -0.467) 5.916 14.515 ( -1.509 2.125 -0.157) 2.611 14.747 ( 0.407 -0.924 0.665) 1.209 14.922 ( -1.131 -6.109 -0.561) 6.238 15.336 ( 6.393 -2.103 -3.743) 7.701 15.434 ( -8.874 -1.782 4.534) 10.123 15.712 ( 6.922 11.595 -1.515) 13.589 16.362 ( -1.201 4.529 -3.738) 5.994 16.620 ( 4.803 6.650 0.047) 8.203 16.980 ( -12.496 -5.160 8.154) 15.788 17.563 ( 21.348 0.497 -19.714) 29.062 17.945 ( -8.251 -7.466 4.680) 12.072 18.152 ( 2.134 -2.403 0.287) 3.227 18.474 ( -14.955 3.252 6.979) 16.820 19.317 ( -6.028 3.091 5.453) 8.696 19.693 ( 3.257 -3.617 -9.872) 11.007 20.466 ( 0.206 0.262 11.347) 11.352 20.657 ( 0.919 2.187 0.916) 2.543 21.350 ( -0.768 1.684 -3.284) 3.769 21.499 ( -1.892 -5.105 0.480) 5.465 21.795 ( 4.053 -4.628 2.093) 6.498 22.203 ( -1.056 -0.086 0.533) 1.185 22.354 ( 0.556 -9.129 0.883) 9.189 22.505 ( 2.004 -1.537 -1.411) 2.893 ======================= Grid point 115 (40/117) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( -12.500 11.541 13.961) 22.008 1.236 ( -9.805 12.802 14.173) 21.469 1.611 ( -2.970 17.273 7.719) 19.152 1.887 ( -4.412 8.235 -15.805) 18.360 2.089 ( -5.149 10.635 -10.795) 16.005 2.382 ( -1.543 8.002 -6.834) 10.636 2.673 ( -0.895 9.329 8.995) 12.990 3.017 ( -1.710 7.098 1.333) 7.422 3.166 ( 0.395 -3.445 -4.664) 5.812 3.252 ( -0.095 -2.307 5.075) 5.576 3.387 ( 0.028 -2.198 -6.748) 7.097 3.606 ( 2.601 -2.598 -1.656) 4.032 3.653 ( -1.192 -2.118 -1.021) 2.636 3.818 ( -2.671 6.420 0.247) 6.958 4.048 ( -0.554 5.776 6.888) 9.007 4.382 ( -4.131 2.672 0.135) 4.921 4.620 ( -2.241 -1.834 2.924) 4.116 4.867 ( 5.609 -0.599 -1.632) 5.872 5.222 ( -6.956 -0.646 2.817) 7.533 5.278 ( 0.038 2.225 0.819) 2.371 5.480 ( 1.630 -1.631 -3.239) 3.975 5.610 ( -2.788 0.052 -2.591) 3.807 5.730 ( -7.741 -4.211 5.110) 10.187 6.003 ( 1.238 4.997 -14.884) 15.749 6.484 ( -5.923 1.933 5.129) 8.070 6.761 ( 2.438 0.192 -6.547) 6.989 6.813 ( -2.842 1.914 9.263) 9.877 7.140 ( -4.235 -9.411 4.405) 11.221 7.471 ( -3.130 4.439 -3.327) 6.370 7.525 ( -2.599 -8.247 2.554) 9.016 7.819 ( 6.504 -8.089 0.043) 10.380 8.219 ( 9.949 -1.552 -6.829) 12.166 8.624 ( 5.360 3.253 3.825) 7.344 8.636 ( -3.989 -8.544 4.143) 10.299 9.095 ( 0.144 -1.161 2.802) 3.037 9.189 ( 9.006 -3.225 5.546) 11.058 9.388 ( 2.614 -4.440 2.252) 5.623 9.530 ( -0.980 2.299 -9.952) 10.261 9.630 ( -8.720 -6.549 8.497) 13.824 9.819 ( 19.160 -3.030 -6.880) 20.582 10.064 ( 8.131 -7.065 1.199) 10.838 10.283 ( 1.496 3.216 5.451) 6.503 10.430 ( 8.252 0.357 2.176) 8.542 10.545 ( -6.795 -4.172 2.261) 8.288 10.869 ( 11.252 11.368 -2.375) 16.170 10.992 ( -2.020 8.754 -4.450) 10.026 11.460 ( -5.132 -0.038 4.631) 6.913 11.505 ( -10.395 -6.860 5.783) 13.732 11.677 ( 7.481 6.511 3.315) 10.457 11.742 ( -7.862 -0.213 -3.015) 8.423 12.091 ( 5.424 0.475 1.867) 5.756 12.174 ( 5.952 -0.072 0.330) 5.962 12.500 ( -9.854 1.259 2.205) 10.176 12.652 ( -4.598 -6.003 -6.815) 10.179 14.295 ( 1.730 4.795 1.178) 5.232 14.480 ( 0.663 0.934 -2.747) 2.976 14.781 ( 4.158 -1.198 0.824) 4.405 15.037 ( -2.861 -7.261 -1.617) 7.970 15.379 ( -7.564 0.981 4.712) 8.966 15.465 ( 8.139 -5.230 -6.265) 11.526 15.617 ( 6.659 2.974 -0.725) 7.329 16.239 ( -3.142 5.699 -8.633) 10.811 16.498 ( 9.748 11.762 0.404) 15.282 16.966 ( -24.840 -8.044 8.855) 27.571 17.728 ( 24.704 -0.072 -20.632) 32.187 17.989 ( -21.067 -7.225 8.481) 23.831 18.202 ( -0.492 -2.315 1.463) 2.782 18.321 ( -8.407 3.196 0.354) 9.001 19.185 ( -10.788 4.486 6.658) 13.447 19.693 ( -4.680 2.164 -19.306) 19.983 20.461 ( -1.255 1.490 10.877) 11.050 20.720 ( 11.126 -4.567 12.413) 17.284 21.343 ( 1.857 -1.975 1.971) 3.352 21.592 ( -2.194 -5.873 3.528) 7.194 21.918 ( 3.880 -4.334 2.371) 6.282 22.178 ( 0.861 2.120 1.296) 2.629 22.466 ( 4.376 0.373 -1.441) 4.622 22.648 ( -1.111 -12.893 0.776) 12.964 ======================= Grid point 116 (41/117) ======================= q-point: (-0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( -11.136 6.581 20.305) 24.075 0.899 ( -6.257 19.886 17.827) 27.430 1.172 ( -11.596 18.259 29.695) 36.738 1.704 ( 0.576 7.548 -18.827) 20.292 1.868 ( -5.603 4.940 -20.441) 21.763 2.285 ( 7.266 3.134 -13.015) 15.231 2.519 ( -3.370 5.805 14.340) 15.833 2.904 ( -0.365 3.728 -0.748) 3.820 3.229 ( -2.130 -3.294 -0.645) 3.975 3.319 ( 0.549 -3.513 5.966) 6.945 3.417 ( -2.118 -1.871 -7.248) 7.780 3.632 ( 2.975 2.146 -0.257) 3.678 3.672 ( -2.148 -2.002 -2.523) 3.872 3.724 ( -1.414 1.986 -0.638) 2.520 3.966 ( 0.763 3.547 7.385) 8.228 4.281 ( -4.485 3.425 -0.676) 5.684 4.637 ( -7.942 -3.499 6.963) 11.127 4.861 ( 3.811 4.723 -2.233) 6.467 5.208 ( -1.695 -1.916 -0.217) 2.567 5.266 ( 1.890 0.771 -2.067) 2.905 5.548 ( 0.604 -3.057 0.941) 3.255 5.592 ( -0.786 -0.181 0.648) 1.035 5.776 ( -5.813 -4.864 5.310) 9.254 5.911 ( 4.529 4.186 -18.230) 19.245 6.451 ( -8.207 -5.026 3.568) 10.263 6.705 ( -4.345 2.700 3.631) 6.274 6.844 ( 3.496 -2.467 0.244) 4.286 7.191 ( 0.250 8.171 -8.329) 11.670 7.388 ( -4.144 -5.191 5.818) 8.829 7.634 ( -2.940 -4.559 -3.612) 6.517 8.045 ( 3.444 -11.211 1.081) 11.778 8.314 ( 12.416 -0.141 -6.223) 13.889 8.604 ( 5.231 3.239 6.915) 9.256 8.755 ( -5.101 -6.106 5.782) 9.836 9.071 ( -4.445 2.774 9.431) 10.788 9.354 ( -3.353 -7.212 4.623) 9.199 9.462 ( 1.272 -1.618 -4.967) 5.377 9.510 ( 2.198 -4.861 -2.581) 5.926 9.673 ( -6.989 -3.957 3.303) 8.684 9.973 ( 15.547 3.796 -6.969) 17.455 10.214 ( 5.973 -2.511 -4.697) 8.002 10.300 ( 3.180 -1.223 8.752) 9.392 10.449 ( 2.335 3.035 -2.273) 4.452 10.594 ( -1.121 -4.296 -2.935) 5.322 10.712 ( 2.112 8.425 4.037) 9.578 10.850 ( 2.495 5.557 -3.110) 6.840 11.439 ( 1.436 3.334 4.304) 5.631 11.559 ( -16.638 -8.755 11.503) 22.041 11.597 ( 4.738 1.795 -2.054) 5.467 11.737 ( 2.663 0.038 -4.663) 5.370 12.100 ( 4.766 2.514 1.734) 5.660 12.235 ( 1.680 0.366 -1.061) 2.020 12.494 ( -16.376 -15.566 13.433) 26.286 12.750 ( 0.978 -5.800 -5.049) 7.752 14.252 ( 1.286 1.219 3.358) 3.797 14.486 ( 4.561 0.107 -6.418) 7.874 14.880 ( 8.292 -4.185 2.947) 9.744 15.129 ( -8.678 -7.343 -2.367) 11.611 15.295 ( 3.298 6.482 0.538) 7.293 15.538 ( -2.562 2.237 -4.717) 5.815 15.756 ( 7.024 -9.357 -0.836) 11.730 16.098 ( -10.092 0.349 -9.054) 13.562 16.370 ( 22.058 12.548 -4.101) 25.706 16.869 ( -54.287 -10.062 -2.308) 55.259 17.778 ( -29.704 8.584 -2.008) 30.984 17.908 ( 7.806 -3.990 -12.596) 15.347 18.227 ( -0.265 -0.484 0.641) 0.846 18.258 ( -0.799 -0.550 -0.215) 0.993 19.001 ( -15.179 3.906 5.854) 16.731 19.490 ( -6.340 9.898 -19.187) 22.501 20.431 ( -1.901 1.252 11.636) 11.857 20.975 ( 11.956 -6.161 -2.777) 13.734 21.585 ( 11.989 -17.578 19.939) 29.160 21.695 ( -1.491 -8.156 7.973) 11.503 22.018 ( 2.410 -2.957 2.095) 4.352 22.140 ( 1.134 3.047 0.558) 3.298 22.533 ( 22.699 -1.264 6.294) 23.590 22.866 ( -4.368 -10.220 2.776) 11.456 ======================= Grid point 118 (42/117) ======================= q-point: ( 0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 8.941 -0.000 21.190) 22.999 0.811 ( 11.553 -0.000 21.199) 24.143 1.175 ( 20.178 -0.000 31.848) 37.702 1.675 ( 10.306 -0.000 -19.657) 22.194 1.748 ( 6.736 -0.000 -22.888) 23.859 2.426 ( -1.615 0.000 14.725) 14.814 2.470 ( 11.627 -0.000 -19.499) 22.703 2.776 ( -8.136 0.000 6.121) 10.181 3.234 ( -0.495 0.000 2.492) 2.540 3.321 ( -7.275 0.000 -5.875) 9.351 3.465 ( 5.103 -0.000 7.297) 8.904 3.584 ( -4.610 0.000 1.101) 4.740 3.666 ( 1.040 -0.000 -4.283) 4.407 3.713 ( 0.467 -0.000 -2.442) 2.486 4.152 ( 17.877 -0.000 0.735) 17.893 4.185 ( -0.240 0.000 -2.358) 2.370 4.398 ( -13.293 0.000 -0.925) 13.325 4.905 ( 5.708 -0.000 3.520) 6.706 5.292 ( 3.649 -0.000 1.794) 4.066 5.448 ( 8.189 -0.000 -12.693) 15.105 5.625 ( 11.922 -0.000 -6.505) 13.581 5.657 ( 1.920 -0.000 8.104) 8.328 5.860 ( 14.447 -0.000 -4.409) 15.105 6.010 ( 10.630 -0.000 -18.547) 21.377 6.275 ( -18.389 0.000 0.048) 18.389 6.581 ( -2.764 0.000 8.382) 8.826 7.049 ( 6.807 -0.000 -0.280) 6.813 7.050 ( 6.116 -0.000 -9.641) 11.418 7.304 ( -8.215 0.000 6.617) 10.549 7.639 ( -1.207 0.000 -0.397) 1.271 8.070 ( -24.151 0.000 9.131) 25.820 8.451 ( 5.139 -0.000 -13.728) 14.659 8.674 ( -5.469 0.000 0.097) 5.470 8.732 ( 5.703 -0.000 12.640) 13.867 8.882 ( -9.146 0.000 20.556) 22.499 8.978 ( -12.922 0.000 16.099) 20.643 9.462 ( -3.673 0.000 0.726) 3.745 9.602 ( 1.164 -0.000 -3.733) 3.911 9.673 ( -0.928 0.000 -2.685) 2.841 9.975 ( -12.660 0.000 -2.882) 12.984 10.088 ( -12.116 0.000 -1.746) 12.241 10.211 ( -15.112 0.000 5.861) 16.208 10.387 ( -4.240 0.000 -4.682) 6.317 10.527 ( 0.871 -0.000 0.857) 1.222 10.631 ( -1.653 0.000 -6.238) 6.453 10.927 ( 4.382 -0.000 -0.171) 4.386 11.268 ( -4.829 0.000 2.738) 5.551 11.360 ( -37.104 0.000 15.095) 40.057 11.681 ( 9.238 -0.000 1.320) 9.332 11.805 ( 4.498 -0.000 1.574) 4.765 12.114 ( -8.543 0.000 -3.764) 9.335 12.173 ( 8.578 -0.000 5.166) 10.013 12.380 ( -10.606 0.000 8.224) 13.421 12.934 ( 9.189 -0.000 -0.174) 9.190 14.202 ( -11.925 0.000 6.187) 13.434 14.220 ( -4.240 0.000 2.144) 4.751 14.734 ( 7.309 -0.000 4.029) 8.346 15.198 ( -0.439 0.000 -3.194) 3.224 15.345 ( 6.434 -0.000 1.998) 6.737 15.369 ( 23.016 -0.000 -14.249) 27.069 15.798 ( -1.878 0.000 -0.425) 1.925 15.928 ( -1.622 0.000 5.994) 6.210 16.094 ( -2.678 0.000 -2.801) 3.876 16.609 ( -23.437 0.000 15.325) 28.003 17.466 ( 36.253 -0.000 1.518) 36.285 18.166 ( 3.802 -0.000 -1.960) 4.278 18.271 ( 1.515 -0.000 -0.539) 1.608 18.329 ( 8.409 -0.000 -1.887) 8.618 18.839 ( 0.069 -0.000 12.021) 12.021 19.309 ( 1.132 -0.000 -8.719) 8.792 20.416 ( -1.690 0.000 11.469) 11.593 21.113 ( 4.208 -0.000 -16.011) 16.555 21.714 ( -1.967 0.000 8.828) 9.045 22.007 ( 0.396 -0.000 -1.849) 1.891 22.039 ( 0.513 -0.000 -0.129) 0.529 22.096 ( 0.174 -0.000 -2.254) 2.261 22.745 ( -13.420 0.000 -5.166) 14.380 23.122 ( -15.562 0.000 6.760) 16.967 ======================= Grid point 119 (43/117) ======================= q-point: ( 0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 15.371 -0.611 14.344) 21.033 1.053 ( 9.043 -16.938 13.317) 23.367 1.489 ( 17.844 -12.444 20.813) 30.108 1.809 ( 7.651 -2.899 -19.714) 21.344 1.870 ( 14.156 -10.669 -13.114) 22.050 2.455 ( 1.366 -2.345 0.133) 2.717 2.589 ( 8.029 -4.517 -4.900) 10.434 2.760 ( -7.337 -4.878 6.593) 11.004 3.190 ( -2.101 3.475 -0.070) 4.061 3.278 ( -6.116 -2.510 -4.285) 7.878 3.462 ( 2.171 3.654 5.236) 6.744 3.559 ( -4.335 -1.150 -0.164) 4.488 3.660 ( 1.069 2.619 -3.416) 4.436 3.742 ( 4.907 -2.639 -0.656) 5.610 4.203 ( 1.144 -0.937 3.431) 3.736 4.245 ( 1.953 -1.052 -3.341) 4.010 4.380 ( 0.891 -3.917 -2.756) 4.871 4.966 ( 4.309 -1.393 -0.055) 4.529 5.317 ( 4.237 0.649 0.754) 4.352 5.453 ( 6.859 3.058 -7.422) 10.559 5.607 ( -7.610 8.429 4.668) 12.278 5.658 ( 6.823 2.847 2.428) 7.781 5.867 ( 12.035 6.150 -11.052) 17.459 6.081 ( 10.773 -1.162 -14.366) 17.994 6.206 ( 0.852 -6.490 4.359) 7.864 6.601 ( -3.293 -1.370 6.082) 7.051 7.022 ( 6.821 0.698 0.909) 6.916 7.164 ( -2.010 4.393 5.071) 7.004 7.291 ( 4.219 -3.462 -11.319) 12.566 7.586 ( -1.476 2.976 2.412) 4.105 7.845 ( -11.467 4.182 9.611) 15.536 8.500 ( 0.211 0.097 -13.750) 13.752 8.592 ( -5.809 6.173 3.627) 9.220 8.770 ( -8.200 -0.334 10.379) 13.231 8.819 ( -0.040 -3.120 8.316) 8.882 9.023 ( -1.824 -3.512 9.896) 10.658 9.413 ( -5.361 2.218 -1.664) 6.035 9.573 ( 1.940 3.358 -5.982) 7.130 9.586 ( -4.801 4.223 0.694) 6.432 9.818 ( -23.638 -1.676 4.791) 24.177 10.007 ( -17.246 -1.018 -5.571) 18.152 10.125 ( -4.075 0.266 6.547) 7.716 10.413 ( -3.491 -5.445 -5.550) 8.523 10.544 ( -5.721 -1.561 2.389) 6.393 10.643 ( 2.269 -3.057 -5.109) 6.371 10.863 ( -3.059 4.610 2.861) 6.229 11.216 ( -15.348 -7.179 8.095) 18.778 11.312 ( -6.080 -6.673 1.667) 9.180 11.650 ( 1.615 5.906 2.752) 6.713 11.888 ( 9.991 -2.847 -0.483) 10.400 12.040 ( -10.114 -0.294 -2.681) 10.467 12.260 ( 7.596 -1.744 9.561) 12.335 12.387 ( 7.376 -2.091 -2.485) 8.060 12.948 ( 9.596 6.208 -2.028) 11.607 14.205 ( -3.042 -4.825 1.508) 5.900 14.399 ( -11.290 -15.213 -2.889) 19.164 14.768 ( 5.528 2.783 3.652) 7.186 15.217 ( 8.779 9.456 -4.541) 13.679 15.286 ( 2.172 -5.915 -2.197) 6.674 15.489 ( 5.445 6.392 -6.218) 10.449 15.800 ( 3.157 4.944 -3.048) 6.610 15.931 ( 4.207 -7.682 -4.052) 9.650 16.241 ( -7.122 -13.691 0.275) 15.435 16.455 ( -21.299 -2.637 14.055) 25.654 17.711 ( 32.125 5.323 -2.297) 32.644 18.216 ( -0.272 0.422 0.261) 0.566 18.280 ( 4.858 0.936 -0.684) 4.994 18.414 ( 7.344 -5.360 4.205) 10.017 18.888 ( 2.299 -2.493 9.868) 10.434 19.379 ( 1.663 -5.738 -8.048) 10.023 20.424 ( -1.774 -0.773 10.589) 10.764 21.111 ( 3.884 1.674 -15.439) 16.008 21.656 ( -2.285 4.920 5.758) 7.910 21.868 ( 4.562 13.033 1.579) 13.899 21.974 ( -4.923 3.504 1.283) 6.177 22.185 ( 0.122 -4.494 1.836) 4.856 22.543 ( -11.105 7.067 -5.484) 14.259 22.817 ( -11.029 13.286 10.932) 20.437 ======================= Grid point 120 (44/117) ======================= q-point: ( 0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 16.127 -1.767 7.290) 17.786 1.425 ( 11.529 -11.199 10.532) 19.216 1.894 ( 6.460 -9.031 2.430) 11.366 1.932 ( 7.190 -11.502 -5.375) 14.590 2.197 ( 12.963 -11.180 -6.115) 18.177 2.523 ( 1.335 -3.953 -4.238) 5.948 2.720 ( 3.030 -4.734 0.080) 5.622 2.898 ( -0.104 -11.338 4.552) 12.218 3.104 ( -0.022 3.573 -2.603) 4.421 3.273 ( -2.702 1.121 -5.836) 6.528 3.424 ( -0.750 -1.146 3.032) 3.327 3.560 ( 0.041 -0.124 -4.045) 4.047 3.620 ( -2.011 -0.446 0.640) 2.157 3.843 ( 5.838 -2.363 2.057) 6.625 4.201 ( -4.356 -1.042 0.068) 4.479 4.325 ( 2.246 -5.346 0.101) 5.800 4.455 ( 4.454 -0.292 -0.155) 4.466 4.984 ( -4.590 1.411 5.262) 7.124 5.333 ( 1.603 0.526 0.780) 1.859 5.373 ( -3.672 4.946 0.731) 6.203 5.470 ( 10.866 1.472 -6.485) 12.740 5.686 ( 11.568 2.153 -0.603) 11.782 5.871 ( 2.574 0.385 1.053) 2.807 6.185 ( 10.375 -2.036 -13.745) 17.341 6.392 ( 4.278 -6.722 0.287) 7.973 6.612 ( 0.065 -2.342 4.936) 5.464 6.998 ( 0.403 9.793 -3.436) 10.386 7.095 ( 4.221 0.693 9.271) 10.210 7.289 ( 2.294 2.415 -5.154) 6.136 7.555 ( -3.160 0.227 8.085) 8.683 7.747 ( -1.817 1.677 -3.346) 4.160 8.333 ( -5.960 12.290 0.437) 13.666 8.470 ( -1.630 2.494 -4.863) 5.704 8.749 ( -1.320 6.635 0.055) 6.765 8.831 ( -10.838 -6.624 0.040) 12.702 9.063 ( -0.281 -1.724 10.304) 10.451 9.222 ( -18.995 4.742 -1.756) 19.657 9.497 ( -2.558 2.522 4.110) 5.459 9.544 ( -0.092 1.480 -6.058) 6.236 9.753 ( -8.029 -1.153 4.485) 9.268 9.885 ( -13.762 -2.404 -3.030) 14.296 10.113 ( 0.693 -1.193 2.244) 2.634 10.449 ( -2.351 0.329 5.962) 6.417 10.541 ( -5.019 -3.589 -1.478) 6.344 10.729 ( -7.626 -6.683 2.433) 10.428 10.857 ( 1.856 -5.200 -6.482) 8.515 11.273 ( -13.421 -8.555 2.922) 16.182 11.390 ( -2.556 -3.869 -0.518) 4.665 11.581 ( -1.052 0.822 1.630) 2.107 11.966 ( -10.878 -0.982 -1.101) 10.978 12.045 ( 13.600 -3.341 -1.170) 14.053 12.366 ( 7.889 -1.351 8.227) 11.478 12.490 ( 5.410 -2.261 -3.598) 6.880 12.865 ( 9.366 9.250 -3.471) 13.614 14.315 ( -0.218 -7.175 0.776) 7.220 14.521 ( -8.667 -7.085 -0.141) 11.196 14.741 ( 2.723 2.878 1.874) 4.383 15.088 ( 5.891 9.507 -2.684) 11.501 15.327 ( 7.035 5.679 -4.826) 10.248 15.498 ( -3.564 -4.434 -3.210) 6.531 15.674 ( -4.996 -0.118 5.783) 7.644 16.151 ( 5.234 -9.185 -9.094) 13.945 16.369 ( -14.028 -6.046 5.939) 16.389 16.476 ( -2.387 -9.291 0.269) 9.596 17.803 ( 25.218 6.733 -6.480) 26.894 18.145 ( 0.304 5.899 -0.278) 5.913 18.247 ( 3.606 5.855 1.123) 6.968 18.629 ( -1.578 -10.000 12.175) 15.834 18.989 ( 5.626 -4.067 2.693) 7.447 19.486 ( 0.690 -4.258 -4.536) 6.259 20.433 ( -2.480 -0.632 8.830) 9.194 21.073 ( 3.060 3.534 -13.079) 13.890 21.531 ( -0.902 6.062 1.565) 6.326 21.656 ( 4.481 12.518 4.057) 13.901 21.830 ( -6.872 5.565 3.283) 9.432 22.254 ( -1.205 -2.849 4.175) 5.196 22.387 ( -3.884 3.314 -3.626) 6.262 22.545 ( -5.217 9.024 1.940) 10.603 ======================= Grid point 121 (45/117) ======================= q-point: ( 0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 14.388 -5.591 5.647) 16.436 1.701 ( 10.832 -7.520 7.043) 14.950 1.995 ( 0.844 -3.005 -4.238) 5.263 2.199 ( 2.629 -7.141 5.960) 9.666 2.480 ( 10.416 -10.582 -6.278) 16.121 2.611 ( 3.006 -3.323 -6.753) 8.104 2.808 ( -2.800 -3.593 1.791) 4.895 3.075 ( 6.117 -0.203 -4.547) 7.625 3.139 ( 5.954 -7.751 1.134) 9.840 3.180 ( -3.218 3.391 -3.731) 5.981 3.458 ( 0.547 1.794 2.390) 3.038 3.577 ( -1.120 -4.864 -3.974) 6.380 3.647 ( -2.172 -2.471 1.738) 3.721 3.909 ( 3.025 -0.636 2.566) 4.018 4.191 ( -3.926 -1.629 -3.850) 5.735 4.422 ( 0.769 2.956 4.278) 5.256 4.488 ( 3.002 -6.060 -1.079) 6.849 4.871 ( -13.947 1.173 9.482) 16.905 5.351 ( 2.334 -1.549 -3.504) 4.487 5.360 ( 2.079 -1.457 -0.649) 2.620 5.567 ( 12.992 -1.801 -3.665) 13.619 5.751 ( 12.917 2.206 0.035) 13.104 5.886 ( -0.586 -1.910 1.021) 2.244 6.255 ( 5.958 1.856 -8.987) 10.941 6.468 ( -4.069 -2.373 6.634) 8.136 6.692 ( 3.764 2.478 2.066) 4.957 6.810 ( 6.266 5.347 -6.325) 10.386 7.090 ( -1.054 2.735 7.622) 8.166 7.311 ( 2.154 -2.700 1.410) 3.731 7.473 ( -0.904 7.751 0.050) 7.804 7.764 ( -1.081 -4.716 1.951) 5.217 8.070 ( -2.293 9.715 -1.916) 10.164 8.365 ( -2.414 7.159 -13.889) 15.811 8.568 ( -5.982 5.422 4.291) 9.143 8.883 ( -4.951 -3.929 1.148) 6.424 8.976 ( -18.441 0.064 0.794) 18.458 9.178 ( -3.135 -7.159 1.239) 7.913 9.436 ( -1.528 3.004 6.565) 7.379 9.495 ( -2.182 1.483 -5.524) 6.122 9.597 ( 0.893 11.236 7.651) 13.623 9.919 ( -7.123 -5.840 -0.062) 9.211 10.216 ( 5.211 -4.164 -4.349) 7.963 10.418 ( -5.287 -2.154 12.077) 13.359 10.584 ( -1.897 -3.103 0.358) 3.655 10.789 ( -12.341 -7.895 0.131) 14.652 10.997 ( 3.180 -6.954 -9.331) 12.064 11.312 ( -14.617 -6.700 2.306) 16.244 11.414 ( 1.035 -0.295 -2.086) 2.347 11.601 ( -1.201 -2.694 0.287) 2.964 11.900 ( -10.378 -0.877 1.217) 10.486 12.204 ( 12.010 -2.096 -1.645) 12.302 12.455 ( 7.011 -1.019 6.651) 9.718 12.510 ( 3.239 3.904 -4.448) 6.746 12.774 ( 7.410 6.091 -2.066) 9.812 14.443 ( 1.978 -4.792 -0.476) 5.206 14.572 ( -3.657 -3.776 1.869) 5.579 14.736 ( 1.222 -0.841 0.533) 1.576 14.948 ( 2.924 8.341 -0.540) 8.855 15.279 ( 4.808 4.164 -4.044) 7.537 15.423 ( -8.701 0.654 1.803) 8.910 15.841 ( 0.586 -12.481 2.240) 12.694 16.344 ( 2.747 -8.833 -8.005) 12.233 16.358 ( -5.259 -0.984 2.918) 6.095 16.639 ( -2.155 -8.735 -1.624) 9.143 17.870 ( 22.369 5.155 -7.090) 24.025 18.009 ( 1.144 8.584 -0.704) 8.688 18.127 ( 1.229 8.523 0.774) 8.646 18.742 ( -11.924 -5.646 18.604) 22.807 19.138 ( 8.202 -5.654 -5.264) 11.267 19.522 ( -1.800 -0.241 -1.172) 2.161 20.430 ( -2.855 -0.492 7.094) 7.663 20.997 ( 1.917 4.892 -8.650) 10.120 21.453 ( 1.217 2.001 -1.779) 2.941 21.485 ( 2.582 8.414 1.939) 9.013 21.698 ( -4.236 3.684 3.206) 6.465 22.250 ( -4.938 5.566 1.529) 7.596 22.300 ( 0.883 -0.217 0.845) 1.241 22.427 ( -1.633 1.239 -1.600) 2.600 ======================= Grid point 122 (46/117) ======================= q-point: ( 0.50 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 11.535 -4.510 5.031) 13.369 1.889 ( 6.875 -3.185 4.668) 8.900 2.009 ( -2.249 0.829 2.535) 3.489 2.295 ( 3.297 -1.008 -0.212) 3.454 2.641 ( -0.342 1.241 -4.392) 4.577 2.728 ( 5.638 -6.597 -7.512) 11.477 2.860 ( -0.825 -6.616 -2.105) 6.992 3.093 ( 1.875 1.189 -2.201) 3.126 3.168 ( 3.674 -0.582 -2.957) 4.752 3.265 ( 4.044 -0.946 -0.857) 4.240 3.395 ( 1.039 3.904 1.864) 4.449 3.612 ( -4.470 1.048 6.716) 8.135 3.692 ( 1.953 -2.089 -0.237) 2.869 3.946 ( 1.410 -2.236 -3.007) 4.004 4.194 ( -3.693 -2.418 -3.762) 5.800 4.348 ( 0.221 2.621 -1.276) 2.923 4.595 ( -0.836 -0.772 3.855) 4.019 4.796 ( -13.087 -4.222 7.963) 15.890 5.381 ( 2.457 -0.858 -5.548) 6.128 5.436 ( -1.099 -3.658 1.506) 4.106 5.683 ( 6.931 -0.311 -2.731) 7.456 5.783 ( 8.811 2.263 2.964) 9.567 5.966 ( 0.821 -4.800 -4.801) 6.838 6.163 ( 0.080 6.985 -2.615) 7.459 6.454 ( -1.903 1.694 7.627) 8.041 6.622 ( 1.925 2.900 6.279) 7.179 6.843 ( 5.540 4.309 1.298) 7.138 7.018 ( -0.510 2.528 1.545) 3.006 7.285 ( -2.562 3.407 -0.354) 4.277 7.440 ( 6.812 -3.954 -2.777) 8.352 7.833 ( -1.263 -2.123 2.857) 3.777 7.924 ( 2.245 9.658 -12.340) 15.830 8.227 ( -1.283 -2.467 -7.773) 8.256 8.448 ( -9.272 4.095 5.453) 11.510 8.876 ( -14.353 -6.125 2.117) 15.748 8.961 ( 0.348 -4.065 0.711) 4.141 9.270 ( -6.072 -3.029 -3.661) 7.710 9.387 ( 1.396 3.186 8.567) 9.247 9.409 ( -0.002 2.504 2.808) 3.762 9.523 ( 9.755 1.151 -0.783) 9.854 9.934 ( -4.542 0.215 3.797) 5.923 10.251 ( -1.721 -0.916 5.118) 5.477 10.498 ( -1.355 -3.540 -0.940) 3.905 10.620 ( -0.761 -1.342 2.987) 3.362 10.850 ( -14.038 -10.506 1.022) 17.564 11.137 ( 4.956 -5.490 -11.226) 13.443 11.301 ( -11.275 -2.836 2.082) 11.811 11.434 ( 1.552 -1.135 -4.741) 5.116 11.636 ( -1.330 -1.843 -0.084) 2.275 11.841 ( -9.730 -1.252 3.585) 10.445 12.296 ( 8.368 1.004 -0.751) 8.461 12.402 ( 4.531 8.246 -4.587) 10.467 12.537 ( 7.606 -0.235 4.690) 8.939 12.740 ( 3.658 2.671 -1.022) 4.643 14.530 ( 1.633 -3.210 -0.664) 3.662 14.613 ( -0.332 -2.062 0.420) 2.131 14.752 ( -0.609 1.347 -0.436) 1.542 14.827 ( 1.803 5.707 0.720) 6.028 15.247 ( -1.012 -0.444 1.168) 1.608 15.396 ( -2.949 -1.621 -1.115) 3.545 16.081 ( 1.844 -10.193 1.251) 10.434 16.321 ( -1.088 1.631 -0.021) 1.960 16.523 ( 2.575 -7.803 -4.696) 9.464 16.763 ( -1.390 -5.936 -1.778) 6.350 17.837 ( -0.924 8.313 1.186) 8.448 17.900 ( 13.081 10.379 -4.761) 17.364 18.024 ( 8.716 1.510 -4.969) 10.146 18.711 ( -16.753 -1.194 18.281) 24.825 19.311 ( 6.821 -6.481 -6.643) 11.518 19.478 ( -3.214 1.868 0.523) 3.754 20.431 ( -2.129 -0.961 6.909) 7.293 20.903 ( 0.777 5.206 -4.326) 6.814 21.384 ( 0.482 3.288 -0.443) 3.353 21.455 ( 2.265 0.021 -3.390) 4.076 21.634 ( -1.158 1.045 2.884) 3.279 22.106 ( -2.640 4.958 -2.436) 6.122 22.320 ( -0.679 -0.610 3.640) 3.753 22.415 ( -0.483 -0.659 -1.111) 1.379 ======================= Grid point 123 (47/117) ======================= q-point: (-0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 8.461 1.378 5.655) 10.270 1.900 ( -2.885 3.169 -1.123) 4.430 1.956 ( 2.297 5.793 8.828) 10.806 2.301 ( 4.348 3.245 -5.018) 7.390 2.551 ( -4.383 4.812 -3.752) 7.513 2.789 ( -0.178 -0.246 -8.458) 8.463 3.029 ( 2.750 -6.617 -1.171) 7.260 3.096 ( -2.304 2.461 0.367) 3.391 3.116 ( 1.251 2.303 -3.447) 4.330 3.305 ( 1.141 -0.301 3.376) 3.577 3.357 ( 4.049 1.759 -2.308) 4.982 3.551 ( -2.025 1.755 7.265) 7.744 3.678 ( 0.490 5.229 1.616) 5.495 4.013 ( -1.274 -4.390 -7.260) 8.579 4.216 ( -0.487 -2.187 -0.621) 2.325 4.374 ( 3.494 -3.314 -2.466) 5.410 4.538 ( -5.266 1.752 4.720) 7.286 4.791 ( -9.089 -2.076 3.981) 10.138 5.385 ( 0.022 2.307 -1.012) 2.519 5.433 ( -7.139 0.566 3.738) 8.078 5.700 ( 6.980 2.577 -3.486) 8.216 5.778 ( 1.461 5.249 3.357) 6.400 5.930 ( -0.879 5.313 -5.937) 8.016 6.141 ( -2.265 -2.208 -7.742) 8.363 6.439 ( -1.785 -0.575 8.053) 8.268 6.593 ( -1.395 -0.646 12.502) 12.596 6.780 ( 4.407 2.589 1.736) 5.397 6.956 ( 1.966 3.484 5.763) 7.015 7.361 ( 0.680 -6.625 -5.350) 8.543 7.577 ( 10.547 -0.667 -0.151) 10.570 7.635 ( 0.178 9.727 -15.310) 18.140 7.961 ( 3.036 -7.649 -0.959) 8.285 8.231 ( -10.167 5.626 -3.003) 12.002 8.402 ( -0.456 -9.082 3.092) 9.605 8.942 ( -9.664 -10.100 4.896) 14.811 9.064 ( 5.382 -3.078 -1.580) 6.398 9.227 ( -6.846 -0.348 5.072) 8.527 9.349 ( 5.966 3.288 3.905) 7.852 9.421 ( -1.918 -2.000 1.298) 3.060 9.663 ( 12.507 -4.803 -1.861) 13.526 9.863 ( -1.820 3.788 4.256) 5.981 10.288 ( -2.074 -3.449 6.524) 7.666 10.477 ( -4.442 1.742 -1.139) 4.906 10.608 ( 0.746 2.590 -0.372) 2.721 10.965 ( -13.372 -11.172 3.593) 17.792 11.252 ( -0.940 -0.575 -4.535) 4.667 11.260 ( -1.238 -3.718 -4.756) 6.163 11.445 ( 0.680 1.295 -7.838) 7.973 11.668 ( -0.204 -2.792 0.712) 2.888 11.818 ( -6.373 -3.105 2.776) 7.614 12.244 ( 4.678 8.119 -0.901) 9.414 12.346 ( 7.512 3.293 -1.649) 8.366 12.579 ( 5.568 1.936 1.766) 6.154 12.711 ( 1.167 2.529 -0.685) 2.868 14.572 ( 1.330 1.088 -1.513) 2.289 14.633 ( -1.686 1.331 0.233) 2.160 14.684 ( -0.226 1.325 -0.229) 1.363 14.778 ( -0.055 0.234 0.372) 0.443 15.274 ( -2.145 -2.497 3.536) 4.831 15.409 ( 0.255 -0.788 -2.373) 2.513 16.158 ( 5.941 6.748 -2.657) 9.375 16.342 ( -2.565 -5.598 4.207) 7.457 16.654 ( 1.940 -4.104 -3.784) 5.910 16.843 ( -0.795 -3.668 -0.946) 3.871 17.692 ( 5.883 7.271 -5.244) 10.723 17.795 ( -2.518 2.498 1.044) 3.697 18.112 ( 12.779 0.292 -3.874) 13.357 18.585 ( -16.151 1.799 12.082) 20.250 19.390 ( -4.981 0.582 2.357) 5.541 19.502 ( 6.102 -5.320 -5.950) 10.047 20.448 ( -1.108 -1.114 8.029) 8.182 20.804 ( -0.153 4.963 -1.637) 5.229 21.359 ( -0.339 -0.348 -1.140) 1.239 21.450 ( 0.421 1.375 -4.740) 4.953 21.652 ( 1.858 -2.234 2.893) 4.100 22.037 ( -2.051 -0.553 -3.409) 4.016 22.315 ( -0.535 0.788 3.828) 3.945 22.439 ( 0.036 -1.953 -0.877) 2.141 ======================= Grid point 124 (48/117) ======================= q-point: (-0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 2.475 13.090 10.337) 16.863 1.718 ( -3.280 13.078 -0.002) 13.483 1.906 ( 3.061 1.516 3.895) 5.181 2.210 ( 1.901 8.549 -9.395) 12.844 2.407 ( -5.129 5.550 -2.803) 8.060 2.712 ( -2.934 5.927 -6.047) 8.961 2.990 ( 1.106 5.056 0.082) 5.176 3.072 ( -0.909 2.787 -2.271) 3.708 3.155 ( 0.403 -4.321 1.542) 4.605 3.281 ( -4.481 1.770 5.841) 7.572 3.407 ( 2.798 -3.939 -5.833) 7.574 3.493 ( -1.972 7.316 -1.948) 7.823 3.598 ( 3.706 -0.024 6.025) 7.073 4.033 ( -3.787 0.162 -6.139) 7.215 4.247 ( 1.665 1.459 4.724) 5.217 4.424 ( -2.011 -0.998 1.539) 2.722 4.556 ( 1.859 -3.220 1.147) 3.891 4.757 ( -2.806 -1.562 -1.562) 3.571 5.271 ( -4.802 5.216 3.003) 7.700 5.389 ( -2.982 0.167 4.640) 5.518 5.611 ( -4.291 9.429 0.621) 10.378 5.688 ( 5.751 4.206 -5.591) 9.057 5.791 ( -4.124 7.015 2.705) 8.575 6.103 ( -1.500 0.906 -9.878) 10.032 6.491 ( -2.835 -4.476 5.118) 7.366 6.673 ( -0.705 -6.040 4.080) 7.323 6.808 ( 6.817 0.743 -2.244) 7.215 6.998 ( -2.435 -5.136 13.356) 14.515 7.249 ( -4.426 7.580 -4.683) 9.949 7.593 ( 6.323 -0.378 -3.802) 7.388 7.727 ( 6.643 -0.809 -1.610) 6.883 8.028 ( -4.043 -2.785 -3.412) 5.979 8.237 ( 2.483 -10.873 -5.297) 12.347 8.544 ( -4.051 -6.519 2.237) 7.994 9.120 ( 5.847 -8.247 -0.836) 10.143 9.134 ( 3.433 -1.039 1.836) 4.029 9.216 ( -11.713 -5.550 16.313) 20.835 9.324 ( -0.137 2.773 6.109) 6.710 9.478 ( -1.093 -5.163 -2.097) 5.679 9.802 ( 6.159 2.501 -8.734) 10.976 9.868 ( 15.102 -3.710 1.889) 15.665 10.330 ( -10.310 -3.258 4.868) 11.857 10.420 ( 3.720 1.920 4.525) 6.164 10.556 ( 3.625 3.647 -3.044) 5.975 11.032 ( -18.004 -7.982 5.553) 20.462 11.205 ( -4.072 0.460 2.572) 4.838 11.325 ( 6.624 4.702 -13.498) 15.754 11.391 ( -3.737 -1.994 0.523) 4.268 11.735 ( -0.899 -3.792 -0.747) 3.969 11.847 ( 2.100 -0.477 -4.728) 5.195 12.150 ( 7.581 5.763 1.441) 9.632 12.328 ( 5.453 3.734 -0.452) 6.624 12.559 ( 0.590 2.601 -1.034) 2.861 12.650 ( -0.914 4.105 -0.594) 4.247 14.503 ( 0.435 5.473 -0.767) 5.543 14.554 ( -1.231 3.383 -1.567) 3.926 14.712 ( -0.071 -2.171 1.553) 2.671 14.820 ( -0.410 -4.192 -0.869) 4.301 15.294 ( -4.761 -1.659 5.005) 7.104 15.423 ( 3.890 0.341 -4.616) 6.046 16.008 ( 6.495 12.429 0.859) 14.050 16.391 ( -1.977 -0.114 -1.244) 2.339 16.701 ( 0.944 -0.306 -0.681) 1.204 16.879 ( -2.001 -0.804 0.419) 2.197 17.686 ( 12.376 -0.256 -9.941) 15.877 17.764 ( -10.571 -3.216 5.079) 12.161 18.161 ( 0.938 0.815 5.371) 5.513 18.456 ( -3.559 3.082 -1.809) 5.044 19.325 ( -6.253 1.957 6.168) 8.998 19.633 ( 3.256 -4.393 -8.358) 9.987 20.473 ( -0.206 -0.877 10.046) 10.087 20.720 ( 0.812 3.424 0.666) 3.582 21.366 ( -0.993 0.236 -1.999) 2.245 21.422 ( -0.431 -0.742 -3.667) 3.766 21.741 ( 3.015 -4.248 3.175) 6.101 22.089 ( -2.022 -6.479 -3.961) 7.859 22.303 ( 0.393 0.404 3.802) 3.843 22.478 ( -0.051 -2.046 -1.185) 2.365 ======================= Grid point 125 (49/117) ======================= q-point: (-0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -2.640 20.156 12.072) 23.642 1.437 ( -4.348 12.583 6.620) 14.869 1.867 ( 4.133 8.492 3.494) 10.070 2.016 ( 0.312 9.721 -11.830) 15.314 2.233 ( -4.555 8.605 -6.339) 11.618 2.544 ( 0.524 8.622 -7.254) 11.280 2.867 ( 0.538 9.120 5.359) 10.592 3.036 ( -3.294 -0.351 0.928) 3.441 3.184 ( -6.026 3.740 2.106) 7.398 3.224 ( 2.020 -1.830 2.129) 3.459 3.365 ( -0.751 2.011 -7.278) 7.588 3.506 ( 1.704 -4.864 -5.127) 7.269 3.670 ( 5.924 -1.142 5.325) 8.047 3.926 ( -4.253 6.483 -3.071) 8.340 4.177 ( 0.213 6.250 8.058) 10.200 4.412 ( -0.887 2.071 -0.964) 2.450 4.568 ( -7.216 -0.872 8.011) 10.817 4.863 ( 10.172 -4.894 -9.243) 14.589 5.181 ( -3.767 0.964 2.913) 4.859 5.364 ( -0.224 5.374 6.005) 8.062 5.438 ( -3.641 -0.214 -4.135) 5.514 5.613 ( -5.701 1.537 1.161) 6.018 5.685 ( 3.349 4.336 1.261) 5.622 6.064 ( 0.477 2.103 -11.734) 11.931 6.500 ( -3.466 1.780 7.021) 8.030 6.783 ( 3.449 -1.516 -6.375) 7.406 6.855 ( 1.369 -0.236 -0.393) 1.443 6.956 ( -6.922 -1.778 6.770) 9.844 7.280 ( -4.589 -8.010 9.599) 13.318 7.578 ( 1.418 3.487 -0.542) 3.803 7.744 ( 1.203 -2.598 -0.694) 2.946 8.183 ( 7.330 -8.408 -9.675) 14.766 8.436 ( -3.735 -8.756 2.762) 9.912 8.630 ( -1.502 -5.795 -0.168) 5.989 9.124 ( 1.309 4.999 4.848) 7.086 9.193 ( -3.016 -2.567 14.742) 15.264 9.323 ( 1.082 -2.897 0.660) 3.162 9.386 ( -6.215 -11.631 5.398) 14.249 9.565 ( 1.115 -2.138 -3.969) 4.644 9.820 ( 8.891 -1.885 -11.920) 14.990 10.083 ( 18.505 -3.824 0.801) 18.913 10.278 ( -12.189 -1.891 7.638) 14.508 10.426 ( -3.131 0.157 3.300) 4.551 10.564 ( 13.307 2.232 -3.740) 14.001 10.994 ( -21.616 -4.139 4.632) 22.491 11.162 ( -0.762 7.009 -1.525) 7.213 11.202 ( -0.255 2.291 4.572) 5.120 11.455 ( 0.161 -3.819 -1.313) 4.041 11.730 ( -6.485 2.646 1.135) 7.095 11.851 ( 10.946 3.531 -10.414) 15.516 12.158 ( 6.935 1.288 3.659) 7.946 12.321 ( 10.983 2.982 -0.574) 11.395 12.488 ( -7.819 2.467 -2.484) 8.567 12.548 ( -3.114 2.725 -2.447) 4.807 14.403 ( 0.787 5.143 0.330) 5.213 14.503 ( 1.199 1.413 -3.606) 4.054 14.763 ( 0.954 -2.824 2.110) 3.651 14.906 ( -0.620 -4.942 -1.991) 5.364 15.274 ( -8.618 -1.614 6.284) 10.787 15.469 ( 8.121 -1.342 -6.904) 10.744 15.833 ( 5.890 10.637 3.346) 12.611 16.311 ( -2.832 5.597 -9.144) 11.089 16.693 ( 0.915 1.825 2.549) 3.266 16.834 ( -2.140 3.807 1.117) 4.508 17.705 ( -24.424 -3.131 11.346) 27.112 17.845 ( 15.336 -4.747 -11.009) 19.466 18.151 ( -3.776 -1.984 5.724) 7.138 18.398 ( 8.930 5.753 -9.896) 14.518 19.215 ( -8.547 4.721 9.105) 13.351 19.675 ( -1.301 -0.024 -12.954) 13.019 20.487 ( -1.140 0.695 10.572) 10.656 20.732 ( 6.804 -2.430 6.373) 9.634 21.337 ( 0.102 0.483 -1.933) 1.995 21.476 ( -0.908 -4.776 -0.012) 4.862 21.856 ( 2.009 -4.946 4.193) 6.789 22.191 ( 0.287 -3.194 -3.189) 4.523 22.357 ( -0.590 -7.318 2.318) 7.699 22.514 ( -0.348 -2.275 -1.807) 2.926 ======================= Grid point 126 (50/117) ======================= q-point: (-0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( -3.373 15.117 16.845) 22.883 1.177 ( -1.932 13.594 16.069) 21.137 1.622 ( 2.706 21.564 11.305) 24.498 1.822 ( 2.020 8.591 -15.033) 17.433 2.008 ( -0.748 11.115 -14.598) 18.363 2.417 ( 7.267 5.876 -13.639) 16.533 2.678 ( -1.391 10.302 10.061) 14.467 2.973 ( -4.401 4.630 5.444) 8.393 3.134 ( -3.562 -3.351 -1.236) 5.045 3.285 ( 4.643 -2.093 1.359) 5.271 3.364 ( -0.706 -1.912 -5.833) 6.179 3.596 ( 0.414 -3.946 -4.129) 5.726 3.715 ( 4.439 1.783 2.093) 5.221 3.760 ( -4.749 5.557 -0.516) 7.328 4.079 ( 2.506 5.313 8.013) 9.936 4.331 ( -1.781 4.455 -1.382) 4.993 4.533 ( -8.679 -1.381 7.870) 11.797 4.982 ( 8.186 2.412 -4.382) 9.594 5.159 ( -0.556 -1.662 1.545) 2.336 5.291 ( 1.726 0.485 -2.948) 3.450 5.490 ( 1.080 -3.288 -0.712) 3.533 5.602 ( -5.457 -4.892 3.561) 8.148 5.647 ( 2.793 2.172 1.942) 4.036 6.007 ( 4.182 3.598 -15.996) 16.921 6.401 ( -6.092 4.541 8.206) 11.183 6.724 ( -4.493 2.992 1.944) 5.737 6.869 ( 5.630 0.510 4.987) 7.539 7.080 ( -4.059 -9.694 2.519) 10.807 7.357 ( -7.049 -3.892 -2.470) 8.422 7.540 ( 2.200 0.869 -1.332) 2.715 7.864 ( -1.431 -8.153 3.435) 8.962 8.355 ( 9.421 -3.776 -10.076) 14.302 8.554 ( -7.837 -9.493 8.108) 14.740 8.701 ( 2.959 0.456 4.427) 5.345 9.074 ( -3.245 -0.103 4.726) 5.734 9.214 ( -11.464 -2.001 17.515) 21.029 9.419 ( 2.173 -5.217 -2.635) 6.236 9.466 ( 0.905 0.594 -9.215) 9.278 9.560 ( -2.509 -2.368 1.062) 3.610 9.999 ( 6.333 -7.501 -4.988) 11.011 10.244 ( -7.187 -2.659 5.875) 9.657 10.257 ( 5.342 -0.410 4.360) 6.907 10.423 ( -2.544 -4.361 -1.472) 5.259 10.589 ( 6.398 4.405 -5.922) 9.767 10.895 ( -12.820 -0.963 2.329) 13.065 10.952 ( -1.037 12.005 0.027) 12.049 11.245 ( -2.891 -5.506 14.130) 15.438 11.531 ( 0.879 -4.071 -1.083) 4.303 11.579 ( -3.424 7.780 1.159) 8.579 11.844 ( 6.126 3.578 -5.755) 9.135 12.187 ( 4.642 1.109 6.252) 7.866 12.317 ( -4.201 5.150 2.021) 6.947 12.322 ( -0.154 5.647 -1.817) 5.934 12.608 ( 2.476 -9.046 -6.173) 11.227 14.321 ( 0.566 4.257 1.766) 4.643 14.515 ( 5.601 -0.432 -6.087) 8.283 14.850 ( 2.622 -4.818 2.123) 5.882 14.965 ( -5.099 -2.785 -3.060) 6.567 15.279 ( -5.095 -5.020 5.548) 9.052 15.572 ( 7.113 -0.922 -5.649) 9.130 15.716 ( 0.412 3.305 3.612) 4.913 16.114 ( -5.958 9.964 -14.478) 18.558 16.637 ( -10.400 3.478 4.271) 11.769 16.723 ( 11.486 8.925 -1.692) 14.644 17.526 ( -31.445 -0.658 9.456) 32.843 18.042 ( 14.904 -3.793 -10.089) 18.393 18.194 ( -0.530 -2.986 1.736) 3.494 18.327 ( 9.568 8.195 -7.621) 14.724 19.036 ( -9.559 6.927 11.372) 16.392 19.580 ( -3.591 5.760 -15.657) 17.065 20.459 ( -1.962 1.723 10.371) 10.694 20.925 ( 10.106 -7.636 2.183) 12.853 21.410 ( 4.810 -8.378 9.274) 13.391 21.573 ( -1.104 -5.712 3.182) 6.631 21.961 ( -0.189 -4.494 5.193) 6.870 22.203 ( 2.199 1.803 -0.073) 2.845 22.542 ( 4.749 -7.570 -0.549) 8.953 22.590 ( -5.764 -10.589 -0.350) 12.061 ======================= Grid point 129 (51/117) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 10.433 -0.000 17.244) 20.154 1.079 ( 17.997 -0.000 10.211) 20.692 1.600 ( 21.809 -0.000 14.876) 26.400 1.844 ( 10.558 -0.000 -19.748) 22.393 1.856 ( 17.695 -0.000 -9.725) 20.191 2.459 ( 1.754 -0.000 12.060) 12.187 2.605 ( 9.990 -0.000 -14.765) 17.827 2.650 ( -8.961 0.000 8.201) 12.147 3.147 ( -12.427 0.000 -2.240) 12.628 3.225 ( -1.597 0.000 1.051) 1.912 3.510 ( -4.255 0.000 0.460) 4.280 3.521 ( 1.035 -0.000 1.448) 1.779 3.708 ( -0.314 0.000 -1.729) 1.757 3.765 ( 11.265 -0.000 0.097) 11.266 4.170 ( -5.150 0.000 -0.404) 5.166 4.233 ( -1.343 0.000 -6.790) 6.922 4.385 ( 10.104 -0.000 1.173) 10.172 5.007 ( 7.796 -0.000 -7.585) 10.877 5.357 ( 3.713 -0.000 -0.586) 3.759 5.528 ( 6.999 -0.000 -5.561) 8.939 5.642 ( -10.032 0.000 4.328) 10.926 5.724 ( 4.106 -0.000 9.548) 10.394 5.968 ( -9.098 0.000 -6.291) 11.061 6.139 ( 10.807 -0.000 -17.300) 20.398 6.233 ( 21.100 -0.000 -12.415) 24.481 6.563 ( -2.501 0.000 9.552) 9.874 7.127 ( 6.365 -0.000 -10.526) 12.301 7.160 ( 3.757 -0.000 6.728) 7.706 7.274 ( 4.536 -0.000 -4.359) 6.291 7.606 ( -3.315 0.000 1.929) 3.835 7.791 ( -13.077 0.000 15.050) 19.938 8.467 ( 0.142 -0.000 -11.096) 11.097 8.567 ( -7.751 0.000 -2.136) 8.040 8.728 ( -7.756 0.000 8.274) 11.341 8.889 ( 1.152 -0.000 22.881) 22.910 8.939 ( 1.693 -0.000 -3.579) 3.959 9.405 ( -3.784 0.000 -2.528) 4.551 9.511 ( -30.792 0.000 11.699) 32.940 9.618 ( -7.803 0.000 -6.135) 9.926 9.640 ( -3.041 0.000 -1.099) 3.234 9.856 ( -15.499 0.000 -3.938) 15.991 10.082 ( -5.045 0.000 4.912) 7.041 10.253 ( -6.758 0.000 -6.151) 9.138 10.527 ( -2.413 0.000 -0.791) 2.540 10.668 ( 6.336 -0.000 -7.476) 9.800 10.930 ( -19.187 0.000 11.484) 22.361 10.952 ( 0.081 -0.000 -3.381) 3.382 11.235 ( -0.894 0.000 3.703) 3.810 11.779 ( -7.605 0.000 4.358) 8.765 11.791 ( -2.964 0.000 -1.506) 3.325 12.030 ( 5.804 -0.000 -2.407) 6.283 12.321 ( 10.135 -0.000 10.695) 14.735 12.427 ( 7.762 -0.000 -5.162) 9.322 13.081 ( 8.801 -0.000 -1.576) 8.941 14.146 ( -5.294 0.000 1.532) 5.511 14.154 ( 0.609 -0.000 -3.633) 3.684 14.855 ( 4.934 -0.000 7.877) 9.295 15.201 ( 1.748 -0.000 -3.626) 4.025 15.444 ( 5.117 -0.000 3.183) 6.026 15.629 ( 10.764 -0.000 -13.954) 17.623 15.873 ( 12.575 -0.000 -17.610) 21.639 15.939 ( 3.029 -0.000 2.843) 4.154 15.968 ( -15.664 0.000 4.622) 16.332 16.282 ( -14.478 0.000 11.022) 18.196 18.019 ( 23.476 -0.000 5.309) 24.069 18.189 ( 0.366 -0.000 0.503) 0.622 18.340 ( 9.810 -0.000 0.848) 9.846 18.436 ( 3.656 -0.000 6.054) 7.072 18.904 ( 4.394 -0.000 9.130) 10.132 19.340 ( 5.488 -0.000 -5.812) 7.994 20.416 ( -1.537 0.000 10.425) 10.538 21.138 ( 3.803 -0.000 -16.710) 17.138 21.691 ( -3.444 0.000 7.210) 7.990 21.973 ( -6.306 0.000 -2.511) 6.787 22.055 ( 1.369 -0.000 0.386) 1.423 22.096 ( 2.100 -0.000 -2.418) 3.203 22.520 ( -10.698 0.000 -11.393) 15.628 22.830 ( -21.439 0.000 18.963) 28.622 ======================= Grid point 130 (52/117) ======================= q-point: ( 0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 14.658 -12.700 11.269) 22.430 1.233 ( 14.965 -5.022 3.465) 16.161 1.807 ( 16.256 -5.164 10.278) 19.914 1.905 ( 9.059 -1.025 -12.991) 15.871 2.110 ( 17.317 -8.652 -4.545) 19.885 2.478 ( 0.860 -0.552 6.546) 6.625 2.650 ( -2.206 -5.379 -5.175) 7.783 2.728 ( 4.661 -5.917 4.068) 8.560 3.065 ( -10.791 -2.119 -3.498) 11.540 3.216 ( -2.663 -1.219 -1.038) 3.107 3.489 ( 1.755 4.007 -0.310) 4.386 3.504 ( -2.356 -2.125 -0.242) 3.182 3.668 ( 0.170 3.187 -1.775) 3.652 3.873 ( 8.909 -1.293 1.995) 9.220 4.134 ( -5.077 -1.568 -1.559) 5.538 4.274 ( 5.755 -2.442 -4.699) 7.821 4.470 ( 4.846 -1.570 1.631) 5.349 5.034 ( 2.785 2.911 -2.704) 4.852 5.366 ( 0.730 1.634 -0.302) 1.816 5.440 ( -10.997 6.722 2.359) 13.103 5.571 ( 9.905 1.377 -4.743) 11.068 5.785 ( 7.952 -0.794 6.240) 10.139 5.902 ( -0.409 1.302 -0.652) 1.512 6.229 ( 10.491 -1.335 -15.558) 18.812 6.359 ( 11.528 -1.077 -5.755) 12.929 6.584 ( 0.046 -2.301 4.735) 5.264 7.125 ( 6.387 2.347 -5.368) 8.667 7.168 ( 0.068 3.239 9.921) 10.437 7.336 ( 3.468 -0.338 -9.651) 10.261 7.552 ( -3.604 1.685 6.255) 7.413 7.741 ( -3.620 -0.452 3.994) 5.410 8.410 ( -9.745 2.888 -5.554) 11.582 8.506 ( -6.325 1.853 -0.603) 6.619 8.647 ( -6.855 -0.758 5.791) 9.005 8.833 ( -3.056 3.982 2.875) 5.785 9.043 ( -0.557 -2.957 3.936) 4.954 9.159 ( -27.130 6.491 7.867) 28.983 9.432 ( -8.367 -5.352 -1.453) 10.038 9.544 ( -4.753 1.028 -5.916) 7.658 9.621 ( -4.618 -2.064 0.618) 5.096 9.774 ( -7.574 -1.343 -1.297) 7.801 10.075 ( -4.416 -2.124 6.062) 7.795 10.301 ( -5.798 -8.562 -6.491) 12.209 10.484 ( -3.017 1.980 0.016) 3.609 10.674 ( -0.005 1.154 2.601) 2.846 10.812 ( -1.882 0.283 -0.937) 2.121 11.029 ( -5.580 -6.807 -2.501) 9.150 11.288 ( -0.610 -4.696 1.950) 5.122 11.609 ( -6.072 4.479 2.063) 7.822 11.832 ( -10.655 -4.124 -3.112) 11.841 12.115 ( 13.732 -0.888 0.067) 13.761 12.433 ( 10.078 -0.830 9.379) 13.792 12.490 ( 5.716 -1.556 -4.119) 7.216 13.082 ( 7.457 6.121 -2.989) 10.100 14.160 ( -3.388 -6.355 1.903) 7.448 14.282 ( -2.954 -10.047 -5.038) 11.621 14.845 ( 2.259 4.344 7.654) 9.086 15.256 ( 1.264 -0.238 -3.798) 4.010 15.403 ( 8.571 3.004 -0.208) 9.085 15.561 ( 5.312 9.119 -7.831) 13.142 15.706 ( -14.529 8.027 10.862) 19.837 16.025 ( 4.601 -7.546 -9.588) 13.040 16.147 ( 3.379 -9.653 -8.001) 12.985 16.295 ( -4.676 -7.237 3.007) 9.126 18.076 ( 12.077 4.994 0.176) 13.070 18.213 ( -0.139 0.597 0.045) 0.614 18.404 ( 9.027 4.514 2.959) 10.518 18.500 ( 3.239 -4.108 12.757) 13.788 18.977 ( 5.715 -2.454 5.705) 8.440 19.427 ( 5.922 -3.288 -2.148) 7.106 20.418 ( -2.017 -0.238 9.074) 9.299 21.130 ( 3.180 1.876 -16.726) 17.129 21.623 ( -3.337 4.490 3.801) 6.763 21.828 ( -9.205 5.908 -4.753) 11.926 21.975 ( 5.166 8.942 1.815) 10.485 22.177 ( -1.947 -3.945 4.122) 6.028 22.396 ( -5.062 2.659 -7.198) 9.193 22.632 ( -14.023 5.622 11.516) 18.996 ======================= Grid point 131 (53/117) ======================= q-point: ( 0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 21.914 0.899 -1.296) 21.970 1.615 ( 7.767 -12.238 9.462) 17.309 1.981 ( 6.821 -1.356 -2.591) 7.421 2.077 ( 9.007 -9.234 8.298) 15.338 2.364 ( 9.493 -8.174 -6.145) 13.953 2.549 ( 2.313 -4.589 0.206) 5.143 2.741 ( -0.531 -2.780 -2.722) 3.926 2.917 ( -0.103 -11.986 2.994) 12.354 3.077 ( -1.689 -5.197 -2.524) 6.019 3.233 ( 0.092 -1.317 -6.525) 6.657 3.425 ( 1.363 1.820 -0.046) 2.274 3.554 ( -0.451 -2.946 -0.344) 3.001 3.598 ( -1.106 2.577 -0.097) 2.806 3.938 ( 2.929 -0.557 2.936) 4.185 4.143 ( -0.002 -0.751 -2.856) 2.953 4.382 ( 4.928 -4.191 0.140) 6.471 4.504 ( 1.781 1.023 0.184) 2.062 4.869 ( -11.921 8.046 7.258) 16.110 5.323 ( 0.565 -0.879 -1.472) 1.805 5.380 ( 1.503 0.876 -3.460) 3.872 5.641 ( 12.319 -0.227 -3.948) 12.938 5.880 ( -0.882 1.022 2.642) 2.967 5.890 ( 12.773 -0.304 1.167) 12.829 6.283 ( 3.437 0.577 -8.063) 8.784 6.436 ( 2.866 -1.913 -1.261) 3.669 6.686 ( 6.433 -4.663 0.641) 7.971 7.024 ( 3.649 9.964 -3.287) 11.109 7.138 ( -2.437 2.815 8.383) 9.172 7.326 ( 5.432 1.149 -6.526) 8.568 7.559 ( 2.329 -0.857 9.267) 9.593 7.702 ( -4.204 1.151 -2.292) 4.925 8.197 ( -14.177 7.310 2.131) 16.092 8.405 ( -4.960 3.565 1.049) 6.198 8.600 ( -14.702 2.963 -4.229) 15.583 8.762 ( 1.200 -2.787 -1.347) 3.320 8.851 ( -23.040 3.060 3.558) 23.513 9.074 ( -1.793 -1.163 3.004) 3.687 9.467 ( -1.617 -0.817 3.891) 4.292 9.486 ( -4.445 0.672 -7.228) 8.512 9.703 ( -5.420 -9.386 -3.372) 11.351 9.756 ( 1.852 1.904 1.726) 3.168 10.109 ( -3.605 -5.586 6.188) 9.082 10.397 ( -7.663 -2.235 1.456) 8.114 10.422 ( -2.758 -2.554 -2.304) 4.409 10.663 ( -3.728 -1.069 8.110) 8.990 10.869 ( 1.675 -6.003 -7.117) 9.460 11.102 ( -5.356 -5.475 -2.573) 8.080 11.369 ( -1.264 -3.864 -1.260) 4.256 11.545 ( -2.896 -1.213 0.361) 3.160 11.804 ( -9.011 -1.893 -2.070) 9.437 12.254 ( 12.258 -2.228 -0.075) 12.459 12.515 ( 6.986 -0.250 6.842) 9.782 12.554 ( 4.222 -0.433 -2.300) 4.827 12.983 ( 6.019 8.694 -3.114) 11.023 14.311 ( -0.932 -9.975 1.734) 10.168 14.423 ( -2.741 -7.274 -2.734) 8.240 14.784 ( 1.554 3.463 4.928) 6.220 15.142 ( 1.663 9.261 -2.058) 9.632 15.409 ( -8.774 6.133 3.709) 11.329 15.440 ( 7.782 6.842 -9.179) 13.843 15.627 ( 0.969 -10.083 5.839) 11.692 16.183 ( -0.298 -8.468 -2.154) 8.743 16.291 ( 2.581 -3.877 -8.522) 9.712 16.448 ( -0.372 -9.750 -2.625) 10.104 18.078 ( 8.444 3.981 0.211) 9.337 18.157 ( 1.934 4.926 -1.914) 5.628 18.348 ( 7.620 8.209 5.151) 12.328 18.589 ( -4.897 -3.347 14.348) 15.525 19.096 ( 6.673 -4.365 -0.605) 7.997 19.503 ( 1.571 -0.871 0.980) 2.046 20.411 ( -2.717 -0.093 7.117) 7.619 21.076 ( 1.642 3.679 -15.348) 15.868 21.510 ( -1.561 4.279 -1.576) 4.820 21.651 ( -5.068 5.849 -3.648) 8.556 21.814 ( 3.643 10.575 8.797) 14.230 22.213 ( -5.316 -2.067 5.874) 8.187 22.343 ( -0.904 1.259 -3.745) 4.053 22.457 ( -5.550 4.343 1.344) 7.174 ======================= Grid point 132 (54/117) ======================= q-point: ( 0.50 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 18.619 -0.981 -1.013) 18.673 1.831 ( 1.447 -5.894 4.252) 7.410 2.056 ( 8.064 -0.162 5.688) 9.870 2.265 ( 3.900 -4.762 5.329) 8.142 2.607 ( 6.788 -9.595 -5.883) 13.144 2.642 ( 2.575 -2.814 -3.484) 5.166 2.742 ( -4.994 -2.171 -1.113) 5.559 3.082 ( -4.232 -4.391 -5.572) 8.261 3.195 ( 7.702 -1.327 -4.855) 9.200 3.267 ( 7.603 -3.309 1.116) 8.367 3.450 ( -1.723 1.018 2.513) 3.212 3.532 ( -4.347 -3.590 -0.997) 5.726 3.645 ( 1.901 -3.655 0.411) 4.140 3.973 ( 3.626 -0.391 3.571) 5.104 4.122 ( -3.292 1.058 -4.701) 5.836 4.405 ( -4.481 3.733 5.598) 8.084 4.551 ( 6.225 -4.224 -3.635) 8.355 4.676 ( -12.256 2.087 6.821) 14.181 5.348 ( -3.148 -1.554 0.829) 3.608 5.392 ( 3.665 -0.913 -5.495) 6.668 5.749 ( 10.835 -0.559 -2.631) 11.163 5.862 ( -0.974 -0.605 3.632) 3.809 5.957 ( 9.893 3.294 -2.462) 10.714 6.257 ( -3.457 1.672 -2.687) 4.687 6.475 ( 3.673 0.977 4.832) 6.148 6.759 ( 3.375 5.855 1.659) 6.959 6.942 ( 9.462 -2.631 -6.076) 11.549 7.016 ( -6.146 6.158 5.790) 10.451 7.402 ( 6.153 0.091 2.517) 6.649 7.461 ( 0.285 7.287 -3.378) 8.037 7.762 ( 0.561 -5.628 3.317) 6.557 7.998 ( -9.347 1.601 4.041) 10.308 8.270 ( -6.110 7.401 -11.001) 14.599 8.391 ( -14.358 2.845 6.143) 15.874 8.674 ( -16.881 -1.045 1.818) 17.011 8.879 ( 3.592 -5.722 0.179) 6.758 9.134 ( -2.105 -6.207 -3.707) 7.530 9.424 ( -0.464 1.990 2.309) 3.083 9.454 ( -1.976 1.511 -1.148) 2.740 9.709 ( 9.191 6.161 1.799) 11.210 9.825 ( -4.653 -7.012 -1.787) 8.603 10.263 ( 0.338 -6.471 -1.888) 6.750 10.315 ( -11.827 -3.327 13.147) 17.994 10.487 ( -5.785 -4.948 -4.066) 8.630 10.670 ( -4.101 -1.929 6.018) 7.533 11.020 ( 2.083 -8.426 -8.251) 11.976 11.153 ( -3.542 -4.341 -1.929) 5.926 11.409 ( -1.284 -1.876 -3.209) 3.932 11.579 ( -0.551 -3.035 -1.167) 3.298 11.762 ( -7.701 -0.738 0.394) 7.746 12.370 ( 9.003 -0.505 -0.039) 9.017 12.544 ( 2.652 4.056 -2.488) 5.447 12.594 ( 7.356 -1.505 4.322) 8.663 12.867 ( 4.324 6.943 -1.589) 8.332 14.475 ( 2.121 -5.024 -0.585) 5.485 14.524 ( -2.429 -6.306 1.037) 6.837 14.767 ( 1.828 0.445 2.096) 2.816 14.979 ( 1.035 8.364 -0.815) 8.467 15.241 ( -8.259 3.354 4.596) 10.029 15.393 ( 4.866 2.222 -7.991) 9.616 15.879 ( 3.900 -11.701 3.383) 12.790 16.341 ( 2.291 -0.752 -6.021) 6.486 16.353 ( -0.518 -9.978 -2.390) 10.273 16.620 ( 0.788 -8.171 -4.366) 9.298 17.984 ( -0.525 8.479 4.211) 9.482 18.107 ( 1.679 4.425 -2.040) 5.154 18.249 ( 13.539 9.376 3.115) 16.761 18.585 ( -9.509 -1.045 12.201) 15.504 19.240 ( 6.089 -5.402 -4.369) 9.239 19.483 ( -3.435 1.755 1.698) 4.214 20.405 ( -2.226 -0.748 6.497) 6.908 20.988 ( 0.038 4.394 -11.731) 12.527 21.445 ( -0.346 2.284 -3.210) 3.955 21.521 ( 0.217 4.848 -0.893) 4.935 21.688 ( 1.643 5.527 7.797) 9.698 22.160 ( -5.779 3.210 -0.152) 6.612 22.311 ( -0.105 0.496 1.292) 1.388 22.401 ( -1.299 -0.063 -0.865) 1.562 ======================= Grid point 133 (55/117) ======================= q-point: ( 0.60 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 12.449 -0.418 -1.074) 12.502 1.876 ( -4.642 -0.529 -0.418) 4.691 2.119 ( 8.643 2.653 11.563) 14.678 2.354 ( 2.833 -1.270 2.030) 3.710 2.614 ( -0.003 3.863 -7.028) 8.019 2.748 ( -0.027 -2.763 -5.695) 6.330 2.868 ( 0.609 -10.031 0.479) 10.061 3.082 ( -1.000 -0.849 -5.476) 5.631 3.232 ( 3.499 4.185 -1.340) 5.617 3.303 ( -0.578 2.534 1.919) 3.231 3.437 ( 4.540 -0.064 -0.825) 4.615 3.559 ( -3.788 -0.977 4.888) 6.261 3.747 ( 5.132 -2.181 -1.442) 5.760 3.975 ( 1.391 3.617 -1.143) 4.040 4.113 ( -4.021 -5.838 -1.624) 7.272 4.334 ( -2.939 -0.840 3.325) 4.517 4.533 ( -8.012 2.666 3.395) 9.101 4.691 ( 1.294 -3.732 -2.996) 4.957 5.346 ( -7.044 -2.241 4.051) 8.429 5.426 ( 2.469 0.137 -3.040) 3.919 5.795 ( 6.423 1.603 -0.536) 6.642 5.885 ( 3.401 2.997 0.903) 4.622 5.967 ( 0.829 -1.794 -5.868) 6.192 6.137 ( -2.348 6.633 -2.312) 7.406 6.471 ( 0.562 2.730 10.939) 11.289 6.642 ( -1.663 5.001 8.043) 9.616 6.875 ( -0.936 4.927 1.451) 5.220 7.120 ( 10.644 3.936 0.641) 11.366 7.224 ( -2.705 -1.934 -5.972) 6.835 7.597 ( 12.232 -4.904 -1.890) 13.313 7.790 ( -6.853 2.060 -1.384) 7.288 7.915 ( -0.946 5.519 -9.062) 10.653 8.158 ( -5.601 -5.479 -3.754) 8.689 8.278 ( -8.706 0.345 10.681) 13.784 8.634 ( -15.927 -8.119 8.892) 19.966 9.032 ( 6.475 -5.823 -0.097) 8.709 9.184 ( -2.791 -1.054 -5.162) 5.962 9.393 ( -1.978 2.428 0.741) 3.218 9.443 ( 3.681 -0.958 3.242) 4.998 9.726 ( 14.239 0.736 -2.270) 14.438 9.884 ( -1.979 -1.835 1.090) 2.911 10.223 ( -4.327 0.296 4.438) 6.205 10.448 ( -5.401 -5.594 1.930) 8.012 10.517 ( -11.650 -7.641 1.956) 14.069 10.687 ( -4.401 -3.068 3.672) 6.501 11.180 ( 3.094 -6.733 -7.261) 10.374 11.212 ( 0.736 -2.604 -2.376) 3.601 11.423 ( -1.016 -1.654 -8.716) 8.929 11.636 ( 1.454 -2.092 -0.324) 2.568 11.716 ( -6.767 -1.478 2.300) 7.299 12.407 ( 6.018 3.351 0.649) 6.919 12.459 ( 2.858 5.505 -1.644) 6.417 12.677 ( 7.501 0.294 1.010) 7.574 12.784 ( 1.674 4.412 -0.643) 4.762 14.554 ( 1.467 -2.913 -0.440) 3.291 14.604 ( -0.799 -2.691 0.020) 2.808 14.751 ( 0.402 3.449 0.656) 3.533 14.846 ( 0.462 5.949 -0.171) 5.969 15.190 ( -5.139 -2.906 4.549) 7.453 15.405 ( 3.517 -0.487 -6.067) 7.030 16.114 ( 2.038 -9.490 3.455) 10.303 16.351 ( 4.067 1.734 -4.429) 6.258 16.532 ( -0.350 -8.649 -2.637) 9.049 16.757 ( 1.589 -5.787 -4.586) 7.553 17.815 ( -2.405 7.524 4.741) 9.212 17.946 ( -0.734 10.369 -1.348) 10.482 18.230 ( 2.405 2.984 10.595) 11.267 18.538 ( 0.485 1.509 -0.943) 1.844 19.353 ( -1.325 -1.534 -0.778) 2.171 19.444 ( 0.139 -2.717 -1.630) 3.171 20.421 ( -1.257 -1.491 7.442) 7.693 20.887 ( -1.013 4.510 -6.891) 8.298 21.384 ( 0.036 2.826 -0.566) 2.882 21.477 ( 1.134 1.398 -3.615) 4.039 21.651 ( 1.841 0.681 5.434) 5.777 22.049 ( -2.843 3.523 -4.428) 6.332 22.313 ( -1.378 -0.484 4.070) 4.324 22.407 ( -0.153 -1.170 -0.973) 1.529 ======================= Grid point 134 (56/117) ======================= q-point: (-0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 3.445 5.481 1.851) 6.734 1.819 ( -5.074 2.042 -3.615) 6.556 2.087 ( 8.217 8.354 12.389) 17.053 2.361 ( 2.584 2.860 -1.105) 4.009 2.495 ( 0.556 8.047 -8.395) 11.642 2.750 ( -2.382 1.322 -6.086) 6.667 3.022 ( -3.721 -5.571 2.530) 7.161 3.083 ( 1.267 0.696 -2.203) 2.635 3.123 ( 0.399 3.992 -1.405) 4.251 3.259 ( -5.401 1.324 2.575) 6.128 3.446 ( 4.536 2.421 -0.330) 5.152 3.564 ( 0.791 -0.104 2.484) 2.608 3.707 ( 3.448 7.664 1.425) 8.525 3.963 ( -2.449 -2.971 -6.793) 7.808 4.232 ( 3.597 -5.350 1.781) 6.688 4.355 ( -5.786 -2.112 3.303) 6.989 4.481 ( -4.832 -3.281 3.998) 7.078 4.738 ( 5.611 -0.573 -8.326) 10.057 5.321 ( -7.881 -0.087 8.216) 11.385 5.397 ( 1.338 4.276 2.267) 5.021 5.762 ( 1.235 7.257 -0.003) 7.361 5.838 ( 3.463 5.901 -1.805) 7.076 5.890 ( -1.062 5.001 -3.618) 6.263 6.076 ( -2.462 -1.116 -10.244) 10.595 6.432 ( -1.366 1.142 10.148) 10.303 6.593 ( -1.778 -1.147 10.526) 10.736 6.852 ( 2.236 -2.101 3.638) 4.759 6.994 ( 1.084 5.884 6.143) 8.575 7.338 ( -1.969 2.863 -9.985) 10.572 7.622 ( 3.660 0.302 -13.895) 14.372 7.766 ( 9.339 -1.085 1.446) 9.513 7.920 ( -8.523 -3.771 -0.198) 9.322 8.125 ( 0.672 -1.869 -1.699) 2.614 8.363 ( -4.457 -7.275 2.360) 8.852 8.761 ( -12.714 -15.661 15.151) 25.229 9.135 ( 1.336 -0.084 2.450) 2.792 9.215 ( 4.111 -4.046 -1.902) 6.073 9.358 ( -2.027 -0.889 -1.405) 2.621 9.441 ( 1.453 4.195 5.845) 7.340 9.853 ( 6.548 -1.743 -4.489) 8.128 9.940 ( 15.176 -2.430 -0.740) 15.387 10.187 ( -12.155 -1.664 1.253) 12.332 10.476 ( 2.512 -0.384 3.034) 3.957 10.565 ( -8.285 -5.144 1.990) 9.953 10.726 ( -8.853 -5.032 5.265) 11.464 11.233 ( 2.189 0.975 -2.121) 3.200 11.300 ( 0.548 -4.069 -1.094) 4.249 11.432 ( 3.160 0.491 -16.911) 17.210 11.642 ( -4.451 -1.763 3.602) 5.991 11.792 ( 3.387 -6.362 -2.528) 7.638 12.333 ( 5.162 7.262 0.765) 8.943 12.404 ( 0.327 3.035 0.055) 3.053 12.674 ( 4.267 5.031 -0.550) 6.620 12.721 ( 0.250 3.207 -0.948) 3.354 14.594 ( 1.274 2.263 -0.945) 2.764 14.603 ( -1.332 1.688 -1.035) 2.387 14.694 ( 1.191 0.637 1.239) 1.833 14.770 ( -0.928 0.785 -0.319) 1.257 15.228 ( -3.564 -2.711 4.617) 6.432 15.443 ( 3.952 -1.000 -5.377) 6.747 16.223 ( 1.173 2.839 2.459) 3.935 16.346 ( 2.345 -0.860 -0.510) 2.549 16.650 ( -1.305 -4.441 -1.451) 4.851 16.859 ( 4.029 -3.188 -6.204) 8.056 17.690 ( -8.469 3.187 5.918) 10.812 17.774 ( 2.107 5.257 -2.750) 6.296 18.151 ( -12.627 1.545 15.735) 20.234 18.562 ( 16.505 3.007 -12.241) 20.768 19.307 ( -6.628 0.945 5.768) 8.837 19.554 ( 2.322 -5.294 -6.058) 8.374 20.455 ( -0.623 -1.698 8.919) 9.101 20.792 ( -0.523 3.815 -2.480) 4.580 21.355 ( 0.189 0.369 -0.852) 0.947 21.444 ( 0.281 2.237 -4.943) 5.433 21.694 ( 1.494 -2.715 4.592) 5.540 21.999 ( -0.833 -0.952 -5.393) 5.540 22.312 ( -0.955 -0.066 4.187) 4.295 22.436 ( -0.171 -1.848 -0.993) 2.105 ======================= Grid point 135 (57/117) ======================= q-point: (-0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -4.207 14.848 6.528) 16.756 1.638 ( -4.473 10.231 0.455) 11.175 2.044 ( 9.576 5.318 7.349) 13.191 2.261 ( 7.772 12.480 -8.418) 16.941 2.322 ( -4.565 5.635 -4.513) 8.542 2.661 ( -1.421 4.622 -7.121) 8.607 2.991 ( -1.631 2.958 0.425) 3.404 3.044 ( -2.229 4.036 0.992) 4.716 3.162 ( 0.175 -4.853 0.145) 4.858 3.191 ( -5.140 1.783 5.481) 7.723 3.407 ( -2.471 2.822 -4.613) 5.946 3.528 ( 7.168 3.556 -2.842) 8.492 3.696 ( 4.810 -1.101 6.418) 8.095 3.958 ( -3.058 1.072 -6.382) 7.158 4.284 ( 1.171 2.892 6.244) 6.980 4.395 ( -0.961 -3.636 -0.100) 3.762 4.488 ( -7.854 -1.827 5.216) 9.603 4.854 ( 13.781 -4.426 -10.602) 17.942 5.229 ( -1.947 5.115 5.748) 7.937 5.355 ( -3.170 -0.876 7.239) 7.951 5.543 ( -5.215 11.745 -0.489) 12.860 5.684 ( -1.104 7.581 -2.707) 8.125 5.835 ( 5.827 5.913 0.746) 8.335 6.067 ( 0.281 -0.664 -9.678) 9.705 6.475 ( -0.738 -4.022 6.195) 7.423 6.655 ( -1.790 -5.698 1.047) 6.064 6.906 ( 1.668 1.853 1.585) 2.955 6.954 ( -3.598 1.160 8.696) 9.482 7.191 ( -0.480 0.663 -3.135) 3.240 7.675 ( -0.711 5.940 1.939) 6.289 7.724 ( -0.729 -0.603 -3.115) 3.255 8.021 ( 3.293 -9.915 -9.878) 14.378 8.281 ( 3.843 -7.712 2.953) 9.108 8.438 ( -8.211 -7.853 -2.099) 11.554 8.991 ( -11.033 -12.949 17.023) 24.067 9.195 ( 3.064 -5.738 2.858) 7.105 9.282 ( 3.666 6.128 4.043) 8.206 9.318 ( 0.605 0.331 -0.066) 0.692 9.443 ( -3.289 -6.734 2.507) 7.902 9.910 ( 10.020 1.763 -11.495) 15.351 10.092 ( -13.814 -3.495 1.522) 14.330 10.165 ( 14.903 -3.706 -0.015) 15.357 10.443 ( -6.816 2.199 1.611) 7.341 10.659 ( -0.818 -5.865 3.596) 6.928 10.723 ( -3.341 -0.176 4.871) 5.909 11.217 ( 1.414 2.410 -1.323) 3.091 11.311 ( -2.894 0.579 -2.307) 3.747 11.437 ( 5.799 1.440 -1.843) 6.253 11.678 ( -2.074 -3.710 -4.482) 6.177 11.933 ( 7.294 -2.877 -7.356) 10.751 12.253 ( 3.126 4.126 3.771) 6.404 12.348 ( -1.852 1.106 -1.029) 2.390 12.578 ( -0.162 6.498 0.187) 6.502 12.632 ( -0.166 5.924 -2.702) 6.513 14.502 ( -0.477 5.045 -0.083) 5.068 14.554 ( 1.846 3.067 -2.902) 4.608 14.722 ( 0.666 -1.813 2.523) 3.177 14.813 ( -0.051 -4.442 -1.853) 4.814 15.224 ( -4.164 0.363 4.684) 6.277 15.494 ( 5.217 -1.276 -5.613) 7.769 16.076 ( 0.152 11.002 5.231) 12.183 16.368 ( 0.478 1.440 -5.382) 5.592 16.677 ( -3.505 -0.512 2.160) 4.149 16.921 ( 7.059 0.641 -6.927) 9.911 17.525 ( -19.994 2.385 10.126) 22.539 17.815 ( 6.009 -4.693 -3.929) 8.578 18.074 ( -8.035 -1.799 8.715) 11.990 18.617 ( 19.478 5.357 -13.062) 24.056 19.230 ( -7.925 2.419 9.635) 12.708 19.631 ( -0.624 -2.545 -8.510) 8.904 20.488 ( -1.223 -0.880 9.882) 9.996 20.755 ( 3.267 0.096 1.827) 3.744 21.351 ( -0.251 0.724 -2.266) 2.392 21.414 ( 0.552 -0.723 -3.591) 3.705 21.774 ( -0.804 -4.489 4.650) 6.513 22.066 ( 1.238 -6.348 -5.837) 8.712 22.314 ( -0.198 -0.200 4.582) 4.591 22.466 ( -0.876 -1.892 -1.715) 2.700 ======================= Grid point 136 (58/117) ======================= q-point: (-0.10 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -6.348 18.637 10.308) 22.223 1.434 ( 1.823 11.377 7.729) 13.874 1.955 ( 5.373 11.075 0.223) 12.312 2.075 ( 7.032 12.276 -3.509) 14.576 2.176 ( 2.203 7.906 -9.203) 12.331 2.560 ( 3.412 5.194 -11.277) 12.876 2.857 ( -3.365 8.443 5.922) 10.848 3.005 ( -1.071 -0.714 3.961) 4.165 3.092 ( -4.262 4.318 1.868) 6.348 3.260 ( 0.389 -4.553 1.291) 4.749 3.355 ( 2.925 1.214 -7.418) 8.065 3.556 ( 4.542 -0.673 -3.775) 5.945 3.746 ( -0.143 0.077 4.360) 4.363 3.860 ( -1.595 5.736 -2.685) 6.531 4.214 ( 2.530 5.412 7.461) 9.558 4.394 ( -2.107 1.754 0.128) 2.744 4.465 ( -4.669 0.100 3.425) 5.792 5.048 ( 13.938 -3.493 -8.678) 16.786 5.159 ( -0.620 1.755 5.297) 5.615 5.324 ( -4.035 4.408 1.704) 6.214 5.396 ( -3.376 -4.365 2.179) 5.933 5.556 ( 0.197 4.116 -0.387) 4.139 5.775 ( 6.420 4.931 0.634) 8.120 6.071 ( 4.430 1.190 -11.345) 12.237 6.480 ( -1.077 4.064 7.085) 8.238 6.758 ( -2.786 2.145 -5.451) 6.487 6.846 ( -7.243 -8.947 2.036) 11.690 6.938 ( 5.791 0.765 4.308) 7.258 7.248 ( -0.967 -1.727 6.244) 6.550 7.585 ( -1.999 0.501 4.890) 5.307 7.740 ( 0.152 -2.089 -2.885) 3.566 8.238 ( -1.203 -11.906 -9.417) 15.228 8.386 ( -0.231 -3.200 3.693) 4.892 8.596 ( -1.671 -11.114 -1.983) 11.412 9.074 ( -8.404 -2.145 8.094) 11.863 9.147 ( -2.851 4.826 15.126) 16.132 9.340 ( 0.927 -4.682 -0.186) 4.777 9.394 ( 2.205 -5.427 -1.084) 5.957 9.542 ( -2.869 -3.386 -2.999) 5.356 9.930 ( 3.960 -2.052 -4.479) 6.322 10.058 ( -12.386 -3.753 0.685) 12.960 10.319 ( -8.740 3.246 0.179) 9.325 10.366 ( 11.408 -3.964 -0.649) 12.094 10.626 ( -16.067 -0.996 11.826) 19.975 10.792 ( 11.799 0.906 -7.202) 13.853 11.115 ( -5.031 7.051 -0.348) 8.669 11.309 ( 8.515 2.111 4.292) 9.766 11.453 ( -2.093 -1.969 1.964) 3.480 11.694 ( 3.002 2.318 -4.292) 5.728 11.945 ( 2.472 4.626 -4.204) 6.722 12.233 ( -1.560 0.741 4.450) 4.774 12.334 ( -4.771 2.113 -0.530) 5.245 12.483 ( -1.556 -0.173 -6.888) 7.064 12.518 ( 8.750 4.871 -0.155) 10.015 14.410 ( 0.176 4.499 0.353) 4.517 14.544 ( 4.492 -0.045 -4.274) 6.201 14.777 ( -0.567 -2.972 3.494) 4.622 14.890 ( -0.381 -3.604 -3.347) 4.933 15.190 ( -2.708 -0.690 3.884) 4.785 15.568 ( 4.868 -3.025 -4.509) 7.292 15.860 ( -3.498 10.846 4.708) 12.330 16.270 ( 1.805 8.276 -11.168) 14.017 16.635 ( -5.804 1.313 5.094) 7.833 16.903 ( -0.648 5.316 -1.226) 5.494 17.353 ( -11.517 0.631 4.680) 12.448 17.981 ( 4.604 -7.483 -2.949) 9.268 18.113 ( -1.727 -4.780 3.340) 6.082 18.619 ( 18.034 8.965 -11.175) 23.033 19.101 ( -8.557 5.404 12.621) 16.177 19.614 ( -2.433 1.834 -10.596) 11.025 20.481 ( -2.376 0.997 9.297) 9.647 20.865 ( 7.375 -6.071 3.293) 10.104 21.349 ( 1.776 -1.841 0.380) 2.586 21.470 ( 0.071 -4.467 -0.520) 4.497 21.856 ( -3.572 -5.293 4.768) 7.969 22.211 ( 3.413 -5.049 -4.934) 7.842 22.346 ( -1.725 -5.094 4.012) 6.709 22.493 ( -1.433 -2.473 -2.280) 3.656 ======================= Grid point 140 (59/117) ======================= q-point: ( 0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 5.563 -0.000 17.206) 18.082 1.421 ( 22.580 -0.000 1.368) 22.622 1.877 ( 13.006 -0.000 -4.837) 13.876 1.976 ( 10.371 -0.000 -11.789) 15.702 2.177 ( 19.478 -0.000 7.068) 20.721 2.536 ( -5.665 0.000 1.826) 5.952 2.537 ( 5.102 -0.000 9.121) 10.451 2.707 ( 4.394 -0.000 -4.848) 6.543 2.931 ( -14.005 0.000 -1.158) 14.053 3.181 ( -3.943 0.000 -0.050) 3.944 3.461 ( -1.765 0.000 0.100) 1.768 3.551 ( 3.136 -0.000 -2.291) 3.884 3.698 ( -0.294 0.000 -2.062) 2.083 3.914 ( 2.447 -0.000 -1.312) 2.777 4.098 ( 2.433 -0.000 1.727) 2.984 4.316 ( 11.458 -0.000 -6.873) 13.361 4.491 ( 3.635 -0.000 1.528) 3.943 5.083 ( -0.228 0.000 -1.993) 2.006 5.391 ( 0.798 -0.000 -1.680) 1.860 5.403 ( -14.262 0.000 2.135) 14.421 5.666 ( 11.853 -0.000 -4.080) 12.536 5.833 ( 6.745 -0.000 7.571) 10.140 5.909 ( 0.103 -0.000 0.516) 0.526 6.273 ( 10.710 -0.000 -14.068) 17.680 6.469 ( 11.622 -0.000 -12.867) 17.338 6.530 ( -4.870 0.000 8.853) 10.104 7.200 ( 5.779 -0.000 -11.052) 12.472 7.202 ( -0.521 0.000 11.012) 11.025 7.345 ( 4.073 -0.000 -4.891) 6.364 7.546 ( -4.616 0.000 3.955) 6.079 7.715 ( -0.278 0.000 7.386) 7.391 8.346 ( -15.958 0.000 -2.968) 16.231 8.412 ( -11.168 0.000 -2.374) 11.417 8.636 ( -5.516 0.000 5.952) 8.115 8.877 ( -9.634 0.000 13.854) 16.874 8.965 ( 3.717 -0.000 -12.012) 12.574 8.992 ( -29.677 0.000 12.324) 32.134 9.315 ( -6.320 0.000 -6.415) 9.005 9.504 ( -5.164 0.000 0.051) 5.164 9.573 ( -4.587 0.000 1.244) 4.753 9.720 ( -2.208 0.000 -1.096) 2.465 10.015 ( -4.751 0.000 4.904) 6.828 10.188 ( 0.473 -0.000 -6.765) 6.782 10.474 ( -3.368 0.000 -4.317) 5.475 10.679 ( -5.386 0.000 9.768) 11.155 10.845 ( 7.216 -0.000 -11.116) 13.252 10.922 ( -3.307 0.000 -2.258) 4.005 11.247 ( 1.592 -0.000 3.662) 3.993 11.644 ( -9.844 0.000 -6.147) 11.605 11.657 ( -7.730 0.000 3.597) 8.526 12.214 ( 12.869 -0.000 -0.035) 12.869 12.512 ( 3.527 -0.000 -0.582) 3.575 12.515 ( 10.436 -0.000 6.673) 12.387 13.193 ( 5.843 -0.000 -3.688) 6.909 14.067 ( -4.840 0.000 1.547) 5.082 14.162 ( 1.786 -0.000 -6.622) 6.858 14.919 ( 0.310 -0.000 11.948) 11.952 15.233 ( 3.117 -0.000 -2.745) 4.153 15.519 ( 3.131 -0.000 3.786) 4.913 15.688 ( -17.940 0.000 10.475) 20.774 15.700 ( 3.340 -0.000 -5.840) 6.727 15.923 ( -0.058 0.000 0.977) 0.978 16.135 ( 19.231 -0.000 -30.272) 35.863 16.182 ( -3.180 0.000 2.029) 3.772 18.188 ( 2.850 -0.000 1.510) 3.225 18.192 ( -0.120 0.000 1.140) 1.146 18.482 ( -0.149 0.000 13.035) 13.036 18.570 ( 12.405 -0.000 3.346) 12.849 19.004 ( 5.140 -0.000 8.151) 9.636 19.466 ( 10.371 -0.000 1.890) 10.542 20.410 ( -2.171 0.000 8.134) 8.419 21.154 ( 3.248 -0.000 -18.153) 18.441 21.639 ( -4.766 0.000 4.684) 6.682 21.798 ( -12.041 0.000 -7.095) 13.976 22.078 ( 1.007 -0.000 1.738) 2.008 22.158 ( 5.861 -0.000 -2.386) 6.328 22.381 ( -4.141 0.000 -9.605) 10.459 22.563 ( -17.632 0.000 18.883) 25.835 ======================= Grid point 141 (60/117) ======================= q-point: ( 0.40 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 1.766 -18.372 13.236) 22.712 1.590 ( 23.163 0.940 -2.267) 23.293 2.012 ( 8.565 -2.890 -7.266) 11.597 2.056 ( 10.868 -3.102 4.036) 12.001 2.346 ( 11.375 -1.723 0.154) 11.505 2.516 ( 2.089 -0.258 6.752) 7.072 2.613 ( -0.418 -7.196 -5.920) 9.328 2.783 ( -1.948 -2.202 5.780) 6.485 2.895 ( -6.319 -8.534 -4.383) 11.488 3.163 ( -3.386 -1.965 -1.623) 4.237 3.482 ( -0.200 -2.806 0.648) 2.887 3.533 ( 3.271 4.066 -2.082) 5.619 3.660 ( -0.256 3.213 -1.507) 3.558 3.912 ( -3.103 -1.258 -4.508) 5.615 4.162 ( 6.905 -0.809 4.861) 8.483 4.411 ( 12.274 0.150 -4.912) 13.221 4.521 ( 2.239 -0.471 0.486) 2.339 4.945 ( -14.714 8.127 5.904) 17.816 5.322 ( 0.178 0.443 -2.281) 2.330 5.392 ( -0.319 0.059 -2.591) 2.612 5.751 ( 13.661 1.116 -3.060) 14.044 5.899 ( 0.472 0.689 3.750) 3.842 5.935 ( 8.012 -2.750 1.502) 8.603 6.341 ( 4.325 2.133 -7.730) 9.111 6.432 ( 2.144 0.146 -2.231) 3.098 6.624 ( 2.646 -5.802 -2.570) 6.876 7.170 ( -3.916 3.361 9.489) 10.801 7.203 ( 5.667 3.274 -7.885) 10.247 7.379 ( 5.554 -0.057 -4.598) 7.211 7.532 ( -0.882 -2.257 8.076) 8.431 7.721 ( -0.493 2.264 4.106) 4.714 8.129 ( -24.229 3.757 3.821) 24.815 8.359 ( -11.868 -3.110 -4.018) 12.910 8.555 ( -9.016 3.967 3.521) 10.460 8.755 ( -17.289 3.458 11.942) 21.295 8.761 ( -3.813 2.027 -2.924) 5.215 9.065 ( 0.071 -2.111 -4.550) 5.016 9.283 ( -8.565 -5.871 -12.996) 16.635 9.491 ( 0.276 0.070 5.165) 5.173 9.573 ( -1.879 -2.953 1.950) 4.007 9.728 ( -1.093 -2.343 0.692) 2.677 10.016 ( -4.254 -2.530 6.617) 8.263 10.253 ( 1.262 -5.392 -5.906) 8.096 10.429 ( -3.499 1.256 -3.977) 5.444 10.644 ( -3.814 0.761 10.414) 11.117 10.820 ( 1.298 0.841 -5.780) 5.984 11.002 ( 3.073 -4.941 -6.551) 8.762 11.296 ( 1.777 -2.402 0.596) 3.046 11.517 ( -4.822 1.454 -1.786) 5.343 11.671 ( -8.537 -3.896 -2.477) 9.705 12.317 ( 10.818 -0.909 0.371) 10.862 12.537 ( 1.525 -0.654 0.316) 1.689 12.604 ( 8.018 -0.223 6.254) 10.171 13.163 ( 3.760 6.195 -4.383) 8.470 14.109 ( -3.317 -7.847 2.238) 8.808 14.261 ( 1.435 -7.865 -7.166) 10.736 14.879 ( -0.541 4.283 10.610) 11.455 15.264 ( 0.518 1.894 -2.636) 3.287 15.480 ( -12.246 7.374 8.616) 16.691 15.528 ( 5.776 -1.469 3.983) 7.168 15.637 ( 4.549 7.293 -7.029) 11.103 16.015 ( -2.007 -7.668 1.276) 8.028 16.226 ( -0.618 -4.882 -5.046) 7.048 16.302 ( 12.395 -5.735 -20.513) 24.644 18.170 ( 2.204 1.704 0.830) 2.906 18.213 ( 0.239 0.256 -0.245) 0.427 18.458 ( -3.170 3.014 18.972) 19.470 18.636 ( 8.227 1.806 0.666) 8.449 19.080 ( 5.376 -2.650 5.880) 8.396 19.543 ( 7.192 1.088 4.605) 8.609 20.398 ( -2.848 0.121 6.295) 6.910 21.132 ( 2.223 2.494 -18.707) 19.003 21.570 ( -3.647 3.438 0.501) 5.037 21.663 ( -8.423 2.936 -5.919) 10.706 22.072 ( 6.310 7.516 0.735) 9.841 22.142 ( -4.450 0.182 7.752) 8.941 22.337 ( -1.135 0.091 -5.045) 5.172 22.455 ( -10.295 0.823 7.658) 12.858 ======================= Grid point 142 (61/117) ======================= q-point: ( 0.50 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 3.416 -8.463 3.228) 9.681 1.757 ( 14.546 -1.276 0.757) 14.621 2.109 ( 8.414 -2.348 0.247) 8.739 2.231 ( 6.084 -3.642 11.598) 13.594 2.464 ( 4.014 -7.729 -4.896) 9.991 2.587 ( 2.864 -3.642 -1.141) 4.772 2.691 ( -3.385 -0.909 -4.222) 5.487 2.880 ( -4.125 -11.454 -3.592) 12.693 3.074 ( 1.370 -10.407 2.259) 10.737 3.239 ( 1.370 -7.281 -4.079) 8.457 3.456 ( 1.566 4.779 0.208) 5.033 3.530 ( -3.120 0.529 -0.177) 3.169 3.608 ( 3.302 -0.123 1.408) 3.591 3.921 ( -3.286 -3.031 -4.048) 6.031 4.198 ( 4.722 3.237 3.833) 6.889 4.440 ( -0.708 3.040 3.861) 4.965 4.570 ( 9.384 -0.859 -4.760) 10.557 4.675 ( -12.631 6.655 5.371) 15.254 5.321 ( -1.726 0.398 -0.125) 1.776 5.397 ( 2.136 -0.757 -4.901) 5.400 5.836 ( 12.400 0.729 -2.122) 12.601 5.871 ( -1.047 1.765 3.956) 4.456 6.065 ( 8.759 -1.729 -1.864) 9.120 6.230 ( -7.263 3.181 -0.687) 7.959 6.526 ( 7.982 -1.851 -3.594) 8.947 6.754 ( 0.902 -6.538 -0.846) 6.654 7.024 ( -5.459 8.389 4.715) 11.064 7.152 ( 6.744 5.808 -3.272) 9.482 7.434 ( 6.822 -1.133 -1.532) 7.083 7.589 ( -8.282 4.284 4.314) 10.274 7.667 ( 6.263 -4.189 5.872) 9.553 7.886 ( -21.513 2.214 11.938) 24.703 8.312 ( -11.551 -1.742 -3.680) 12.248 8.344 ( -11.217 7.469 -1.938) 13.614 8.614 ( -6.717 3.315 1.925) 7.734 8.814 ( 5.551 -5.398 -2.194) 8.048 9.031 ( -3.014 -0.257 -1.897) 3.570 9.353 ( -6.316 -6.748 -15.482) 18.031 9.491 ( 1.490 1.660 5.358) 5.803 9.653 ( -0.599 -5.700 0.557) 5.759 9.798 ( 1.169 -4.143 1.424) 4.534 10.036 ( -5.650 -2.888 11.033) 12.727 10.356 ( 1.087 0.354 -4.254) 4.405 10.369 ( -2.518 -2.706 -3.189) 4.882 10.624 ( -3.837 -0.639 9.963) 10.695 10.869 ( -0.003 -6.066 -4.338) 7.458 11.098 ( 5.342 -2.499 -5.915) 8.353 11.345 ( -0.532 -2.380 -3.035) 3.893 11.519 ( -0.071 -3.051 -1.512) 3.406 11.666 ( -7.520 -2.713 -1.971) 8.234 12.417 ( 7.785 -1.488 0.345) 7.933 12.566 ( 0.703 -1.472 -0.681) 1.768 12.655 ( 5.574 1.140 5.444) 7.874 13.035 ( 1.548 8.109 -3.300) 8.891 14.293 ( -1.552 -12.007 2.082) 12.285 14.411 ( 1.470 -6.417 -4.595) 8.029 14.813 ( 0.317 2.874 7.009) 7.582 15.141 ( -0.866 8.195 -1.838) 8.443 15.277 ( -7.543 6.352 5.422) 11.254 15.523 ( 5.345 7.033 -8.894) 12.535 15.716 ( 6.696 -10.186 3.571) 12.703 16.156 ( -2.220 -8.904 -0.271) 9.181 16.302 ( -0.425 -3.953 -5.689) 6.941 16.485 ( 7.600 -6.847 -13.299) 16.778 18.130 ( 0.597 5.010 2.111) 5.469 18.189 ( 1.783 2.964 -1.726) 3.866 18.368 ( -10.399 3.291 26.103) 28.291 18.648 ( 9.677 3.625 -3.477) 10.903 19.195 ( 5.709 -4.064 1.117) 7.096 19.524 ( -0.013 4.250 3.273) 5.364 20.383 ( -2.401 -0.378 5.683) 6.180 21.053 ( 0.236 4.262 -17.486) 17.999 21.489 ( 0.311 2.864 -3.473) 4.512 21.559 ( -5.075 2.106 -2.476) 6.027 21.901 ( 2.577 11.603 10.868) 16.106 22.137 ( -3.964 -0.718 2.208) 4.594 22.326 ( -1.108 0.661 -1.449) 1.941 22.391 ( -2.473 0.602 0.042) 2.546 ======================= Grid point 143 (62/117) ======================= q-point: ( 0.60 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 4.171 -2.899 -2.212) 5.540 1.830 ( 4.036 0.785 -0.324) 4.125 2.210 ( 5.967 -0.599 9.300) 11.066 2.321 ( 0.248 -2.976 7.712) 8.270 2.644 ( -0.776 -3.273 -4.559) 5.666 2.676 ( 0.655 -6.005 -2.125) 6.404 2.696 ( 3.273 -4.157 -3.620) 6.411 3.001 ( -2.951 -5.472 -8.777) 10.755 3.313 ( 5.500 1.193 -1.436) 5.808 3.341 ( 1.459 -10.037 3.037) 10.587 3.414 ( -3.353 3.734 0.449) 5.038 3.456 ( -3.762 -3.378 -0.381) 5.071 3.714 ( 6.468 -4.765 1.543) 8.181 3.961 ( -6.132 -4.509 -4.189) 8.688 4.127 ( 4.144 6.719 4.679) 9.176 4.326 ( -5.305 3.850 6.897) 9.515 4.523 ( -7.688 2.905 0.505) 8.234 4.684 ( 11.194 -2.245 -5.572) 12.704 5.280 ( -5.378 0.486 2.202) 5.832 5.431 ( 2.429 -1.139 -4.805) 5.503 5.844 ( -0.419 0.184 4.601) 4.624 5.906 ( 7.114 0.324 -2.126) 7.432 6.043 ( 1.444 5.496 -3.049) 6.449 6.187 ( -3.826 0.143 -1.109) 3.986 6.567 ( 5.639 3.248 5.659) 8.624 6.790 ( -1.665 10.307 4.239) 11.268 6.870 ( -5.620 -3.750 0.179) 6.759 7.144 ( 9.136 -0.140 -9.348) 13.072 7.371 ( -3.155 8.640 6.778) 11.426 7.578 ( 4.296 -3.755 -0.022) 5.705 7.670 ( -12.071 -2.302 4.048) 12.938 7.898 ( -1.553 -6.246 10.461) 12.283 8.110 ( -9.174 6.101 -10.274) 15.065 8.265 ( -2.146 0.538 3.926) 4.507 8.502 ( -4.620 3.266 2.888) 6.353 8.963 ( 4.988 -5.270 0.969) 7.320 9.103 ( 0.160 -6.593 -6.405) 9.194 9.386 ( -2.050 -1.879 -9.788) 10.175 9.471 ( 2.924 1.493 5.148) 6.106 9.756 ( -3.511 -6.068 -2.680) 7.506 9.871 ( 10.603 0.688 -0.272) 10.629 10.099 ( -13.673 -9.431 15.009) 22.387 10.277 ( -0.803 2.943 -4.787) 5.677 10.444 ( 1.064 -2.552 -2.227) 3.550 10.627 ( -3.908 -1.783 7.998) 9.078 11.025 ( 1.055 -9.504 -4.522) 10.578 11.187 ( 6.997 -2.550 -3.830) 8.374 11.371 ( -1.326 -1.661 -6.363) 6.708 11.594 ( 2.047 -3.767 -1.069) 4.419 11.647 ( -6.157 -1.005 -0.387) 6.251 12.480 ( 4.313 0.388 0.335) 4.343 12.568 ( 0.845 2.719 -2.148) 3.567 12.698 ( 3.930 -1.621 3.632) 5.592 12.896 ( -0.155 6.427 -1.610) 6.627 14.494 ( -0.872 -8.586 0.547) 8.648 14.507 ( 1.198 -3.273 -0.999) 3.626 14.797 ( 0.964 0.666 3.592) 3.778 14.982 ( 0.024 7.642 -1.909) 7.877 15.140 ( -5.252 2.455 4.900) 7.591 15.451 ( 4.452 3.265 -8.355) 10.014 15.964 ( 4.416 -9.640 3.032) 11.028 16.319 ( -1.015 -8.908 -8.480) 12.341 16.372 ( 1.605 -4.482 0.976) 4.860 16.647 ( 4.630 -6.399 -9.804) 12.590 17.982 ( -1.743 10.210 7.763) 12.944 18.099 ( -2.285 6.657 -0.388) 7.049 18.236 ( -14.649 2.793 22.193) 26.738 18.674 ( 15.599 3.064 -7.182) 17.444 19.316 ( 4.360 -3.570 -1.649) 5.872 19.420 ( -4.450 3.257 1.434) 5.698 20.393 ( -1.179 -1.302 6.905) 7.125 20.946 ( -1.588 4.223 -13.620) 14.348 21.442 ( 0.862 2.925 -2.154) 3.733 21.499 ( -1.490 0.906 -2.769) 3.273 21.747 ( 1.295 6.857 10.594) 12.685 22.093 ( -1.069 2.975 -3.967) 5.073 22.300 ( -1.835 0.285 3.122) 3.633 22.387 ( 0.010 -0.748 -1.148) 1.370 ======================= Grid point 144 (63/117) ======================= q-point: (-0.30 -0.70 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( -3.553 -0.175 -2.348) 4.262 1.813 ( 2.520 3.158 -1.958) 4.490 2.239 ( 1.388 1.704 12.729) 12.917 2.365 ( -2.099 -1.344 3.377) 4.197 2.638 ( 4.664 3.171 -8.783) 10.438 2.729 ( -0.215 -0.965 -4.357) 4.468 2.861 ( -1.028 -8.196 2.100) 8.523 3.058 ( 0.104 -3.002 -7.514) 8.092 3.251 ( -2.827 7.286 0.813) 7.858 3.273 ( -0.512 3.081 2.937) 4.287 3.479 ( -4.355 -0.939 1.021) 4.570 3.531 ( 3.083 -4.002 0.165) 5.055 3.861 ( 8.662 -0.044 -2.313) 8.965 3.886 ( -8.521 0.851 -2.338) 8.877 4.154 ( 4.607 -4.606 4.099) 7.697 4.293 ( -0.641 -1.375 5.804) 5.999 4.413 ( -6.434 1.709 -0.734) 6.698 4.795 ( 11.915 -0.452 -8.562) 14.679 5.239 ( -7.571 -1.271 7.007) 10.394 5.464 ( 2.644 -0.228 -1.566) 3.081 5.868 ( 2.360 -0.668 0.873) 2.603 5.905 ( -0.622 3.192 -0.905) 3.376 5.967 ( 0.817 3.466 -3.922) 5.297 6.079 ( -3.786 5.408 -3.450) 7.449 6.513 ( 1.208 5.601 12.090) 13.379 6.624 ( -2.247 4.572 8.712) 10.092 6.864 ( -0.902 1.602 -0.240) 1.854 7.105 ( -6.950 4.591 -0.838) 8.371 7.339 ( 11.864 -0.804 -7.745) 14.191 7.594 ( -15.263 -2.558 3.911) 15.963 7.770 ( 8.006 -6.470 -0.631) 10.312 7.835 ( -5.369 3.726 -10.410) 12.292 8.071 ( -2.509 -3.102 2.500) 4.708 8.282 ( 1.646 -0.731 1.208) 2.169 8.493 ( -0.502 -5.769 13.752) 14.921 9.108 ( 0.600 -6.850 -1.733) 7.091 9.159 ( 1.627 0.292 -0.505) 1.728 9.358 ( -1.632 1.391 -3.427) 4.043 9.519 ( 4.375 0.178 2.007) 4.817 9.822 ( -1.075 -4.367 -1.211) 4.658 9.983 ( 10.336 -2.339 -0.558) 10.612 10.110 ( -6.854 -0.764 2.002) 7.181 10.296 ( -7.218 -6.834 2.595) 10.273 10.503 ( 4.633 -2.352 2.554) 5.790 10.651 ( -2.391 -2.940 4.380) 5.792 11.196 ( 1.364 -6.286 -2.132) 6.776 11.283 ( 6.934 -1.249 -2.261) 7.399 11.388 ( 0.556 -2.633 -14.047) 14.303 11.605 ( -5.757 0.241 1.964) 6.087 11.702 ( 4.598 -5.289 -0.680) 7.041 12.462 ( -1.392 3.282 0.162) 3.569 12.490 ( 2.526 5.461 -0.321) 6.026 12.747 ( 0.548 -0.397 -0.176) 0.699 12.784 ( -1.285 4.795 -0.591) 4.999 14.570 ( 0.208 -2.949 -0.124) 2.959 14.594 ( -0.096 -2.654 -0.588) 2.720 14.764 ( 0.673 3.895 1.757) 4.326 14.842 ( -0.638 6.473 -1.156) 6.607 15.141 ( -1.960 -4.049 4.417) 6.304 15.448 ( 3.472 -0.272 -6.241) 7.147 16.141 ( -1.162 -6.920 2.936) 7.607 16.408 ( 5.049 -0.455 -6.435) 8.192 16.517 ( -0.824 -7.728 0.661) 7.799 16.787 ( 4.157 -6.194 -9.423) 12.018 17.757 ( -9.272 9.436 12.655) 18.307 17.918 ( -1.817 8.848 -1.458) 9.150 18.094 ( -12.589 2.524 13.540) 18.660 18.756 ( 19.098 2.294 -8.388) 20.985 19.287 ( -5.810 2.372 3.448) 7.161 19.462 ( 1.794 -5.106 -3.476) 6.432 20.426 ( -0.553 -1.786 8.275) 8.483 20.844 ( -1.982 3.350 -8.105) 8.991 21.390 ( 0.771 2.647 -0.181) 2.763 21.475 ( 0.047 1.154 -4.281) 4.434 21.689 ( 0.084 1.210 7.130) 7.232 22.020 ( 1.484 3.371 -6.459) 7.436 22.296 ( -1.891 -0.804 4.465) 4.915 22.408 ( 0.556 -1.142 -0.813) 1.508 ======================= Grid point 145 (64/117) ======================= q-point: (-0.20 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -8.738 6.642 1.287) 11.051 1.749 ( 0.325 4.844 -0.218) 4.860 2.210 ( 2.012 3.718 10.360) 11.190 2.342 ( -3.394 1.446 -1.450) 3.964 2.558 ( 8.285 9.857 -7.779) 15.044 2.698 ( -1.299 2.151 -7.475) 7.886 2.970 ( -2.625 -3.548 1.044) 4.535 3.096 ( 0.610 -0.630 -0.850) 1.221 3.127 ( 0.370 3.594 -0.899) 3.723 3.203 ( -1.526 2.901 2.360) 4.040 3.422 ( -6.148 1.827 -0.151) 6.416 3.602 ( 2.576 -1.373 3.223) 4.349 3.747 ( -1.225 3.132 1.023) 3.515 3.959 ( 5.374 0.647 -7.363) 9.138 4.267 ( -4.306 -4.274 1.033) 6.155 4.351 ( 8.890 -2.363 4.500) 10.241 4.388 ( -6.259 -2.575 2.204) 7.118 4.899 ( 15.084 -1.520 -10.688) 18.549 5.219 ( -7.685 -1.634 10.525) 13.134 5.448 ( 4.210 5.436 4.584) 8.264 5.728 ( -6.737 11.633 -0.620) 13.457 5.816 ( -0.384 6.590 -2.115) 6.932 5.942 ( 4.284 -0.022 -3.536) 5.555 6.029 ( 0.004 -1.244 -8.912) 8.999 6.450 ( 0.583 3.140 10.607) 11.078 6.587 ( -1.894 -1.791 8.126) 8.534 6.856 ( -2.785 -2.750 6.474) 7.565 6.996 ( -3.496 2.452 3.260) 5.372 7.284 ( 0.188 8.649 -9.452) 12.814 7.625 ( -4.179 -7.227 -4.311) 9.395 7.735 ( -2.237 1.133 -9.548) 9.872 7.935 ( 3.584 -2.426 0.426) 4.349 8.157 ( 1.666 -7.787 5.075) 9.443 8.295 ( -2.180 -1.780 -3.857) 4.774 8.717 ( 3.777 -11.720 14.063) 18.692 9.143 ( -0.821 -1.514 -0.423) 1.774 9.246 ( -1.006 -5.904 1.075) 6.085 9.331 ( -0.937 -0.177 -0.810) 1.252 9.472 ( 0.890 6.591 5.988) 8.949 9.898 ( -9.404 -4.122 0.545) 10.282 9.978 ( -1.278 0.042 -3.242) 3.485 10.218 ( 14.459 -3.634 -4.143) 15.473 10.335 ( -8.730 -3.201 5.987) 11.059 10.589 ( 1.407 -1.310 4.178) 4.599 10.745 ( 8.119 -4.995 1.497) 9.649 11.262 ( -0.625 -1.993 -0.757) 2.221 11.292 ( 2.739 4.083 -4.439) 6.624 11.479 ( 5.039 -3.225 -7.533) 9.620 11.581 ( -2.264 -3.072 -1.973) 4.296 11.868 ( 5.930 -7.157 -2.070) 9.523 12.338 ( -6.108 5.640 0.998) 8.374 12.416 ( 2.411 4.577 -0.038) 5.173 12.667 ( -5.208 5.291 -0.475) 7.439 12.718 ( -0.623 2.856 -1.193) 3.157 14.577 ( -0.945 2.495 -0.943) 2.829 14.619 ( 1.401 1.293 -0.855) 2.090 14.723 ( 1.818 0.795 1.825) 2.696 14.750 ( -1.220 0.184 -1.120) 1.666 15.201 ( -0.929 -1.767 3.529) 4.055 15.489 ( 2.956 -1.663 -4.338) 5.506 16.195 ( -4.930 0.346 1.726) 5.235 16.399 ( 3.852 3.107 0.471) 4.971 16.623 ( -1.540 -3.689 -1.025) 4.127 16.921 ( 4.751 -4.417 -10.017) 11.934 17.511 ( -13.072 7.656 9.576) 17.921 17.806 ( 1.906 1.683 -1.378) 2.892 17.995 ( -7.737 -0.060 7.285) 10.627 18.848 ( 18.642 3.400 -7.896) 20.529 19.210 ( -7.002 1.274 7.272) 10.175 19.553 ( -0.633 -4.034 -5.174) 6.591 20.464 ( -1.012 -1.561 8.978) 9.168 20.783 ( 0.284 1.121 -2.593) 2.839 21.360 ( 0.624 1.051 -0.632) 1.376 21.439 ( 0.770 2.108 -5.220) 5.682 21.700 ( -2.215 -2.082 4.668) 5.571 22.003 ( 2.983 -1.080 -5.608) 6.443 22.307 ( -0.895 -0.891 4.386) 4.564 22.432 ( 0.042 -1.080 -1.034) 1.496 ======================= Grid point 146 (65/117) ======================= q-point: (-0.10 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -9.251 14.252 6.384) 18.151 1.644 ( 3.386 7.632 3.855) 9.196 2.145 ( 0.108 5.914 0.952) 5.991 2.257 ( -1.301 4.845 -0.441) 5.036 2.419 ( 12.682 11.122 -6.468) 18.066 2.637 ( 1.400 2.913 -10.690) 11.168 2.948 ( -3.007 2.393 -0.493) 3.874 3.016 ( -1.448 5.194 4.233) 6.855 3.160 ( -1.116 -1.467 2.449) 3.065 3.171 ( 1.646 -0.440 -1.028) 1.990 3.370 ( -0.527 -0.365 -2.588) 2.667 3.623 ( 3.900 1.870 1.755) 4.667 3.734 ( -1.655 -0.797 3.056) 3.566 3.930 ( 1.263 3.379 -6.423) 7.366 4.289 ( -1.993 -0.361 1.021) 2.268 4.368 ( -3.009 -0.153 3.541) 4.649 4.465 ( 4.645 -1.104 1.742) 5.082 5.071 ( 13.667 -4.217 -8.930) 16.862 5.189 ( -5.548 0.561 10.104) 11.540 5.374 ( 5.166 5.080 6.881) 9.992 5.446 ( -5.025 10.199 -2.110) 11.564 5.682 ( 0.743 7.003 -3.014) 7.660 5.917 ( 4.132 5.143 -0.982) 6.670 6.080 ( 3.864 -2.893 -7.338) 8.783 6.495 ( 1.258 -5.202 5.361) 7.575 6.623 ( -3.066 -2.828 1.988) 4.621 6.816 ( -6.963 3.929 1.488) 8.133 6.991 ( 1.798 -0.516 6.516) 6.779 7.226 ( 4.588 -2.646 -2.368) 5.801 7.549 ( -9.639 2.573 3.336) 10.519 7.804 ( 6.944 1.886 -6.813) 9.909 7.985 ( -5.577 -8.092 -2.289) 10.091 8.311 ( -4.495 -6.997 -9.260) 12.446 8.386 ( 6.635 -7.410 3.992) 10.718 8.935 ( -0.656 -6.647 8.351) 10.693 9.214 ( -1.122 -3.406 2.769) 4.530 9.305 ( -2.579 -2.714 0.828) 3.835 9.338 ( 0.807 2.755 3.050) 4.188 9.393 ( -2.439 -4.152 6.137) 7.801 9.801 ( -18.376 -1.692 -0.168) 18.454 10.044 ( 5.438 -1.445 -4.305) 7.085 10.253 ( -8.799 1.269 0.166) 8.891 10.418 ( 11.626 -2.513 1.489) 11.987 10.566 ( -4.032 2.172 7.122) 8.467 10.910 ( 13.119 -0.889 -5.829) 14.383 11.175 ( -5.061 5.022 -3.456) 7.924 11.329 ( 3.338 -3.278 0.015) 4.679 11.477 ( -0.596 2.765 6.905) 7.462 11.698 ( 5.260 -4.012 -7.511) 10.009 12.015 ( 4.795 -1.790 -4.282) 6.673 12.186 ( -10.057 2.136 2.831) 10.664 12.370 ( 3.649 2.131 -0.812) 4.303 12.503 ( -7.299 4.975 -1.772) 9.010 12.651 ( 1.962 3.845 -0.589) 4.357 14.498 ( 0.294 4.500 -0.612) 4.551 14.584 ( 2.197 1.946 -2.007) 3.555 14.743 ( 1.161 -1.482 2.947) 3.497 14.806 ( -0.397 -4.238 -2.278) 4.828 15.197 ( -0.207 1.279 2.349) 2.683 15.536 ( 0.345 -1.889 -1.802) 2.633 16.050 ( -2.524 9.962 0.881) 10.314 16.388 ( 2.610 2.210 -2.147) 4.038 16.607 ( -6.607 1.495 1.952) 7.050 16.937 ( -7.621 3.033 -1.723) 8.382 17.369 ( 5.687 1.765 -2.582) 6.490 17.867 ( 1.420 -5.781 -0.700) 5.994 18.004 ( -2.753 -4.511 3.392) 6.279 18.886 ( 14.261 5.959 -5.251) 16.324 19.128 ( -6.437 2.840 9.531) 11.846 19.586 ( -2.491 -1.497 -6.443) 7.068 20.478 ( -2.476 -0.186 8.337) 8.699 20.822 ( 4.163 -3.603 1.293) 5.655 21.350 ( 0.813 0.313 -2.046) 2.224 21.421 ( 1.293 -0.514 -3.391) 3.666 21.735 ( -4.490 -3.844 3.312) 6.776 22.098 ( 3.450 -6.380 -4.427) 8.497 22.319 ( -0.550 -0.216 4.896) 4.932 22.446 ( -1.010 -1.086 -2.006) 2.495 ======================= Grid point 151 (66/117) ======================= q-point: ( 0.40 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -1.317 0.000 20.043) 20.086 1.776 ( 21.113 -0.000 -1.754) 21.186 2.015 ( 5.664 -0.000 -7.243) 9.195 2.095 ( 5.401 -0.000 -1.863) 5.713 2.425 ( 9.262 -0.000 6.083) 11.081 2.503 ( 2.981 -0.000 -5.257) 6.044 2.627 ( -4.897 0.000 0.390) 4.912 2.721 ( -0.971 0.000 -1.216) 1.557 2.744 ( -0.858 0.000 5.790) 5.853 3.109 ( -4.899 0.000 -0.740) 4.954 3.458 ( 1.189 -0.000 0.255) 1.216 3.592 ( 1.785 -0.000 -0.881) 1.990 3.694 ( 0.759 -0.000 -2.125) 2.257 3.862 ( -3.501 0.000 -9.246) 9.886 4.224 ( 8.179 -0.000 8.695) 11.937 4.525 ( 0.546 -0.000 0.878) 1.034 4.535 ( 16.191 -0.000 -5.931) 17.243 4.901 ( -18.823 0.000 5.968) 19.746 5.331 ( 1.599 -0.000 -2.785) 3.211 5.378 ( -1.732 0.000 -1.973) 2.625 5.875 ( 13.347 -0.000 -1.358) 13.416 5.927 ( 2.265 -0.000 1.330) 2.627 5.952 ( 6.096 -0.000 2.146) 6.463 6.386 ( -0.583 0.000 -2.972) 3.029 6.445 ( -2.130 0.000 0.022) 2.130 6.546 ( 1.701 -0.000 -7.945) 8.125 7.173 ( -5.955 0.000 7.909) 9.900 7.254 ( 4.018 -0.000 -7.254) 8.292 7.427 ( 7.701 -0.000 0.066) 7.701 7.502 ( -2.178 0.000 9.238) 9.492 7.786 ( 6.838 -0.000 4.407) 8.135 7.980 ( -23.625 0.000 0.203) 23.625 8.205 ( -13.884 0.000 -1.147) 13.931 8.496 ( -16.477 0.000 0.777) 16.495 8.695 ( -11.130 0.000 8.458) 13.979 8.766 ( -2.863 0.000 4.644) 5.456 9.007 ( 6.147 -0.000 -15.989) 17.129 9.195 ( -5.654 0.000 -7.274) 9.213 9.512 ( 3.059 -0.000 9.907) 10.368 9.521 ( -2.516 0.000 2.671) 3.669 9.703 ( -0.605 0.000 -0.301) 0.676 9.963 ( -2.894 0.000 4.805) 5.609 10.214 ( 3.976 -0.000 -6.450) 7.577 10.398 ( -4.403 0.000 -6.397) 7.765 10.645 ( -1.608 0.000 10.134) 10.261 10.838 ( -6.369 0.000 1.042) 6.453 10.969 ( 10.530 -0.000 -13.241) 16.918 11.314 ( 6.222 -0.000 0.874) 6.283 11.485 ( -8.135 0.000 -7.580) 11.119 11.567 ( -3.956 0.000 0.537) 3.993 12.386 ( 8.117 -0.000 0.231) 8.120 12.535 ( -0.351 0.000 0.711) 0.793 12.671 ( 6.725 -0.000 8.156) 10.571 13.247 ( 2.344 -0.000 -5.719) 6.180 14.007 ( -2.954 0.000 1.740) 3.428 14.181 ( 2.957 -0.000 -8.794) 9.278 14.925 ( -3.277 0.000 14.569) 14.933 15.277 ( 2.216 -0.000 0.954) 2.413 15.462 ( -10.506 0.000 7.385) 12.842 15.585 ( 1.597 -0.000 3.020) 3.417 15.732 ( 2.226 -0.000 -4.524) 5.042 15.912 ( -1.496 0.000 0.679) 1.643 16.151 ( -1.281 0.000 -0.182) 1.293 16.352 ( 17.373 -0.000 -32.458) 36.815 18.193 ( -0.001 0.000 1.287) 1.287 18.212 ( 0.627 -0.000 0.576) 0.852 18.504 ( -1.229 0.000 16.910) 16.955 18.694 ( 3.499 -0.000 -0.030) 3.499 19.101 ( 4.405 -0.000 10.667) 11.541 19.633 ( 7.564 -0.000 7.598) 10.722 20.381 ( -3.244 0.000 4.752) 5.754 21.153 ( 2.199 -0.000 -20.812) 20.928 21.564 ( -5.429 0.000 1.704) 5.690 21.627 ( -5.762 0.000 -7.768) 9.671 22.085 ( -1.468 0.000 4.573) 4.803 22.260 ( 6.789 -0.000 -3.007) 7.425 22.321 ( -1.101 0.000 -4.355) 4.492 22.360 ( -12.479 0.000 13.988) 18.746 ======================= Grid point 152 (67/117) ======================= q-point: ( 0.50 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -4.240 -17.160 15.832) 23.730 1.918 ( 17.707 1.432 -4.731) 18.384 2.086 ( 0.861 -4.251 -0.075) 4.338 2.176 ( 2.756 -6.207 1.646) 6.988 2.437 ( -1.811 3.005 -2.771) 4.471 2.555 ( -0.700 -2.448 4.006) 4.747 2.607 ( 3.891 -5.932 -5.632) 9.058 2.701 ( -2.162 -1.260 -1.774) 3.067 2.910 ( 4.425 -8.349 3.474) 10.068 3.106 ( -3.223 -4.497 -1.231) 5.668 3.487 ( -0.029 -1.365 0.500) 1.454 3.564 ( 0.702 3.635 -0.113) 3.704 3.670 ( 2.174 2.561 -0.101) 3.361 3.842 ( -2.783 -1.585 -9.400) 9.930 4.289 ( 6.310 1.240 8.521) 10.675 4.501 ( -0.982 2.478 1.449) 3.034 4.649 ( 11.900 0.521 -3.558) 12.432 4.698 ( -14.091 5.318 3.893) 15.557 5.325 ( -1.062 1.110 -1.120) 1.901 5.380 ( 0.175 -1.467 -3.513) 3.812 5.903 ( -0.606 1.730 3.585) 4.027 5.965 ( 11.760 1.962 -0.556) 11.936 6.045 ( 4.740 -3.640 -1.617) 6.191 6.257 ( -10.036 4.558 -0.587) 11.038 6.515 ( 5.351 -4.163 -3.722) 7.735 6.610 ( -2.501 -6.085 -3.553) 7.476 7.098 ( -6.576 3.352 5.457) 9.179 7.276 ( 5.462 1.220 -4.853) 7.407 7.465 ( 0.669 2.103 6.938) 7.281 7.539 ( 1.833 -2.632 10.796) 11.262 7.719 ( -7.222 5.885 0.052) 9.316 7.862 ( 1.413 2.150 3.777) 4.570 8.140 ( -12.615 -3.485 -4.072) 13.706 8.346 ( -15.033 1.232 -2.145) 15.235 8.624 ( -4.272 1.177 6.777) 8.097 8.763 ( 3.249 -1.537 1.287) 3.818 9.075 ( 2.679 2.736 -6.134) 7.231 9.148 ( -2.268 -5.166 -16.921) 17.836 9.522 ( 0.468 -0.594 3.514) 3.594 9.588 ( 2.932 -3.267 7.773) 8.927 9.709 ( -1.847 -2.000 2.508) 3.702 9.987 ( -1.208 -2.799 5.996) 6.726 10.283 ( 2.931 -3.900 -4.602) 6.707 10.358 ( -3.153 -0.066 -7.282) 7.936 10.625 ( -1.744 1.830 10.361) 10.665 10.795 ( -2.436 -1.197 -0.353) 2.737 11.080 ( 7.623 -3.709 -10.556) 13.539 11.358 ( 6.198 1.573 -2.599) 6.903 11.440 ( -4.870 -3.230 -3.532) 6.828 11.566 ( -2.828 -2.059 -2.193) 4.128 12.444 ( 4.584 -0.782 0.729) 4.707 12.538 ( -1.269 -1.108 0.627) 1.797 12.718 ( 4.165 0.803 7.709) 8.799 13.183 ( 0.321 6.522 -5.767) 8.712 14.074 ( -1.521 -8.502 2.109) 8.890 14.281 ( 3.106 -7.327 -8.692) 11.785 14.877 ( -3.112 3.034 12.678) 13.402 15.256 ( -1.784 4.454 2.921) 5.618 15.347 ( -5.642 5.071 2.608) 8.022 15.618 ( 3.828 -3.929 4.024) 6.803 15.683 ( 2.885 5.590 -5.900) 8.624 15.983 ( -2.173 -7.243 0.477) 7.576 16.191 ( -1.614 -4.532 -2.188) 5.285 16.471 ( 14.887 -2.278 -27.033) 30.945 18.182 ( -0.582 1.314 1.386) 1.997 18.221 ( 0.702 -0.175 -0.186) 0.747 18.439 ( -4.916 6.873 21.974) 23.543 18.723 ( 3.066 -0.746 -1.556) 3.518 19.178 ( 4.881 -2.690 9.519) 11.031 19.638 ( 2.430 4.812 5.617) 7.786 20.363 ( -2.554 -0.273 4.612) 5.279 21.109 ( 0.631 3.279 -21.729) 21.984 21.518 ( -3.970 0.482 -0.398) 4.019 21.563 ( -0.916 2.666 -5.621) 6.288 22.063 ( -7.725 2.447 10.408) 13.190 22.167 ( 4.238 6.264 2.488) 7.961 22.306 ( -3.173 -0.714 -1.669) 3.656 22.377 ( 0.946 -1.069 0.900) 1.687 ======================= Grid point 153 (68/117) ======================= q-point: (-0.40 -0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( -4.955 -11.232 6.936) 14.100 1.951 ( 5.748 4.128 -6.152) 9.377 2.184 ( -2.198 -4.630 8.904) 10.274 2.305 ( 1.892 -1.486 7.179) 7.571 2.440 ( -5.568 -9.093 -3.889) 11.350 2.626 ( 1.219 -4.292 -1.770) 4.800 2.689 ( 4.597 -0.823 -3.072) 5.590 2.822 ( 1.000 -9.559 -9.405) 13.447 3.097 ( 0.044 -11.038 3.217) 11.497 3.246 ( 0.281 -9.360 -1.916) 9.558 3.441 ( -3.838 4.016 0.757) 5.607 3.492 ( -0.446 3.961 0.284) 3.996 3.697 ( 5.876 -2.224 4.601) 7.787 3.847 ( -3.787 -2.443 -7.813) 9.020 4.264 ( 0.815 5.401 7.431) 9.223 4.408 ( -1.719 5.272 3.731) 6.683 4.523 ( -6.526 2.966 -1.312) 7.287 4.748 ( 11.421 -0.536 -1.705) 11.560 5.275 ( -3.176 1.990 -0.861) 3.846 5.413 ( 0.815 -1.611 -4.214) 4.585 5.853 ( -3.076 1.862 4.897) 6.076 6.000 ( 6.984 2.496 -0.157) 7.418 6.090 ( -8.483 0.183 -1.291) 8.582 6.152 ( 2.342 0.259 -4.268) 4.876 6.627 ( 3.235 -3.650 -0.485) 4.901 6.716 ( -2.368 -6.207 -1.586) 6.830 6.955 ( -4.043 7.278 3.718) 9.118 7.255 ( 4.482 5.294 -7.574) 10.270 7.360 ( -10.105 2.360 15.280) 18.471 7.578 ( -7.536 2.824 0.126) 8.048 7.635 ( 6.898 -1.735 4.735) 8.544 7.861 ( 1.616 1.838 9.557) 9.865 8.092 ( -6.030 0.513 -5.347) 8.075 8.260 ( -0.316 -1.013 -0.469) 1.161 8.591 ( 1.757 3.020 0.860) 3.598 8.908 ( 5.370 -8.186 -0.096) 9.791 8.982 ( -2.319 1.500 -3.653) 4.579 9.274 ( 3.260 -6.873 -18.197) 19.723 9.528 ( 1.796 1.352 3.186) 3.899 9.665 ( 1.374 -1.851 0.538) 2.367 9.790 ( -2.684 -8.088 9.136) 12.493 10.028 ( 1.338 -0.079 8.287) 8.395 10.306 ( -2.263 0.953 -6.272) 6.736 10.394 ( 3.064 -3.848 -5.506) 7.383 10.593 ( -2.880 0.670 11.111) 11.498 10.867 ( 1.400 -6.977 -1.581) 7.289 11.186 ( 5.128 -3.323 -7.291) 9.513 11.364 ( 5.568 1.440 -5.402) 7.890 11.495 ( -4.668 -5.309 -1.151) 7.163 11.596 ( 1.260 -2.045 -1.964) 3.103 12.490 ( 0.735 -1.464 0.754) 1.803 12.557 ( -1.492 -1.730 -1.173) 2.568 12.727 ( 1.607 1.234 6.624) 6.927 13.025 ( -1.299 8.044 -4.164) 9.151 14.278 ( -0.894 -12.229 1.621) 12.368 14.430 ( 2.023 -6.019 -4.916) 8.031 14.820 ( -1.903 1.617 8.196) 8.568 15.122 ( -0.440 7.296 -1.032) 7.382 15.202 ( -3.500 6.159 2.863) 7.640 15.575 ( 3.407 6.612 -7.218) 10.365 15.801 ( 1.548 -10.200 4.433) 11.229 16.127 ( -0.456 -9.076 -2.321) 9.379 16.275 ( -0.543 -5.698 -2.822) 6.382 16.602 ( 11.551 -3.076 -19.784) 23.115 18.131 ( -1.777 3.294 1.383) 3.990 18.199 ( -1.757 7.016 4.404) 8.468 18.231 ( -11.144 6.545 22.905) 26.299 18.776 ( 5.898 -1.432 -2.006) 6.392 19.287 ( 5.067 -3.272 4.872) 7.754 19.517 ( -1.132 7.860 1.130) 8.021 20.369 ( -1.019 -1.098 6.509) 6.679 20.997 ( -1.966 4.727 -19.732) 20.385 21.479 ( -4.233 0.310 -2.580) 4.967 21.517 ( 4.104 2.807 -2.970) 5.792 21.898 ( -5.915 7.672 12.302) 15.658 22.146 ( 3.968 1.887 -0.153) 4.396 22.297 ( -1.294 0.098 0.061) 1.299 22.384 ( 1.187 0.646 -0.879) 1.612 ======================= Grid point 154 (69/117) ======================= q-point: (-0.30 -0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( -4.148 -4.715 -0.254) 6.285 1.872 ( -3.893 3.343 -3.511) 6.218 2.220 ( -7.739 -2.014 12.342) 14.706 2.319 ( -2.209 -1.314 6.107) 6.626 2.588 ( -4.026 -8.052 -3.158) 9.540 2.720 ( 3.849 -2.367 -2.769) 5.299 2.757 ( 5.419 -3.642 -3.570) 7.442 2.960 ( 0.785 -5.700 -10.339) 11.832 3.271 ( -4.842 -1.545 0.241) 5.088 3.360 ( -2.705 -1.092 1.981) 3.526 3.400 ( -2.497 1.692 1.360) 3.309 3.434 ( 3.616 -7.542 -1.198) 8.449 3.807 ( -3.123 -2.139 1.223) 3.978 3.861 ( 3.292 -4.176 -2.418) 5.841 4.168 ( -0.997 3.435 6.463) 7.387 4.342 ( 4.823 2.938 5.755) 8.063 4.424 ( -4.010 3.105 -5.333) 7.360 4.858 ( 10.004 -2.043 -1.152) 10.275 5.208 ( -2.843 2.098 -0.237) 3.542 5.442 ( 0.039 -1.945 -3.685) 4.167 5.824 ( -3.735 -1.561 3.849) 5.586 5.973 ( -1.088 2.672 0.591) 2.945 6.027 ( 1.077 2.247 -3.114) 3.988 6.123 ( -4.762 2.722 -2.280) 5.940 6.674 ( 4.153 6.162 8.888) 11.585 6.716 ( -3.674 2.359 -0.138) 4.368 6.841 ( -1.489 -0.099 1.907) 2.422 7.120 ( -5.144 6.489 -10.197) 13.136 7.354 ( -11.293 -7.310 11.071) 17.422 7.503 ( 9.148 5.032 1.022) 10.491 7.703 ( -0.015 -2.191 1.562) 2.690 7.803 ( -10.393 -0.049 -0.205) 10.395 8.072 ( 6.910 0.435 0.189) 6.927 8.323 ( 6.232 1.579 -2.242) 6.809 8.543 ( 8.913 3.074 5.851) 11.096 8.983 ( -2.508 -4.954 -0.369) 5.565 9.116 ( 1.553 -6.817 -3.188) 7.684 9.364 ( 2.826 -0.341 -9.476) 9.895 9.540 ( 3.704 -0.638 1.510) 4.050 9.712 ( -0.584 -3.841 -1.469) 4.153 9.947 ( -7.652 -6.990 13.636) 17.128 10.056 ( 10.247 -0.852 0.715) 10.307 10.264 ( 2.430 1.465 -7.414) 7.938 10.484 ( 3.178 -3.821 -1.463) 5.181 10.583 ( -3.861 -1.110 10.032) 10.807 11.056 ( 4.492 -9.584 -2.188) 10.808 11.277 ( 1.956 -3.680 -4.028) 5.796 11.383 ( 7.508 1.161 -7.643) 10.776 11.534 ( -5.561 -2.908 -1.229) 6.394 11.665 ( 4.776 -3.004 -0.152) 5.644 12.489 ( -3.652 1.107 0.797) 3.898 12.554 ( -2.515 0.722 -2.239) 3.443 12.725 ( -1.582 -0.269 4.115) 4.417 12.870 ( -2.083 6.194 -2.341) 6.942 14.475 ( -1.560 -8.033 -0.045) 8.184 14.525 ( 0.936 -3.602 -0.415) 3.744 14.806 ( -1.128 0.112 4.070) 4.225 14.977 ( -0.028 7.808 -2.939) 8.343 15.104 ( -0.459 1.468 4.138) 4.414 15.493 ( 3.040 3.289 -6.601) 7.977 15.978 ( -4.551 -8.364 3.506) 10.147 16.312 ( 2.644 -9.609 -7.454) 12.445 16.405 ( 2.965 -6.513 0.694) 7.189 16.722 ( 8.678 -3.319 -15.816) 18.343 17.889 ( -17.879 12.214 25.075) 33.130 18.031 ( -1.818 5.697 0.628) 6.013 18.128 ( -2.275 5.579 1.521) 6.214 18.865 ( 7.110 -2.361 -0.302) 7.498 19.346 ( 0.173 5.096 -1.057) 5.207 19.403 ( 2.953 -1.342 0.688) 3.315 20.400 ( -0.240 -1.601 8.137) 8.296 20.874 ( -3.281 3.469 -14.265) 15.043 21.439 ( -1.385 1.118 -2.280) 2.893 21.495 ( 2.384 2.261 -2.438) 4.091 21.750 ( -3.416 4.855 9.102) 10.867 22.125 ( 5.705 4.473 -3.819) 8.194 22.275 ( -1.961 0.456 3.272) 3.842 22.394 ( 1.089 -0.946 -0.800) 1.650 ======================= Grid point 155 (70/117) ======================= q-point: (-0.20 -0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( -9.122 2.205 1.859) 9.567 1.802 ( -2.184 0.491 -2.721) 3.524 2.202 ( -9.273 -2.278 12.834) 15.997 2.324 ( -3.011 -0.239 0.180) 3.026 2.653 ( -1.241 -2.090 -5.673) 6.172 2.755 ( 4.358 1.709 -6.192) 7.762 2.881 ( 3.697 -4.439 -1.662) 6.011 3.051 ( 1.090 -4.314 -5.605) 7.156 3.199 ( -2.695 3.471 -0.320) 4.406 3.287 ( -0.026 5.117 3.848) 6.402 3.372 ( -6.833 -0.464 -1.193) 6.952 3.576 ( 0.876 -3.280 3.324) 4.752 3.745 ( -6.474 1.207 -1.168) 6.689 4.014 ( 9.052 -3.238 -2.911) 10.045 4.166 ( -1.591 -2.694 2.877) 4.251 4.331 ( -3.019 1.458 -2.878) 4.419 4.398 ( 8.383 -1.124 4.980) 9.815 4.971 ( 8.028 -2.325 -1.337) 8.465 5.164 ( -0.362 0.855 1.457) 1.727 5.490 ( 0.282 -3.023 -0.706) 3.117 5.825 ( -6.884 1.437 -0.802) 7.078 5.901 ( -1.400 2.981 2.386) 4.067 5.953 ( -2.205 4.214 -3.786) 6.079 6.047 ( 2.632 1.363 -3.747) 4.777 6.546 ( -1.495 4.329 11.576) 12.449 6.637 ( 1.899 7.373 8.846) 11.672 6.832 ( -3.322 1.467 -0.147) 3.634 6.974 ( -7.772 1.014 -4.443) 9.010 7.405 ( -7.349 -3.544 4.792) 9.462 7.470 ( 5.192 3.216 -6.710) 9.073 7.694 ( -7.867 -0.733 -6.420) 10.181 7.869 ( 5.687 -8.014 -2.932) 10.254 8.109 ( 4.245 1.601 4.856) 6.645 8.297 ( 4.158 1.528 -3.574) 5.692 8.676 ( 15.177 -3.556 10.445) 18.764 9.061 ( -4.180 -5.045 -3.248) 7.313 9.183 ( -0.498 -1.136 0.859) 1.508 9.343 ( 1.096 1.882 -2.213) 3.105 9.563 ( 0.509 1.247 0.927) 1.635 9.773 ( -5.158 -1.866 -0.716) 5.532 9.925 ( -7.975 -1.419 12.355) 14.773 10.232 ( 11.246 -3.364 -9.547) 15.130 10.299 ( 6.820 -2.232 1.301) 7.293 10.579 ( -0.343 -0.849 7.195) 7.253 10.655 ( 5.362 -9.473 1.557) 10.996 11.230 ( 3.001 -2.727 -1.349) 4.273 11.377 ( 4.495 -6.723 -3.104) 8.662 11.406 ( 7.144 2.087 -11.451) 13.657 11.525 ( -4.044 -1.074 0.807) 4.262 11.790 ( 5.915 -5.540 0.612) 8.127 12.385 ( -7.899 4.733 0.786) 9.242 12.491 ( -3.475 2.580 -1.685) 4.644 12.693 ( -6.635 2.439 1.986) 7.343 12.750 ( -2.421 3.256 -1.477) 4.318 14.556 ( -1.517 -2.913 -0.677) 3.353 14.599 ( 0.498 -3.252 0.261) 3.300 14.771 ( -0.677 2.999 0.934) 3.213 14.829 ( -0.392 6.625 -0.460) 6.653 15.151 ( 1.997 -3.578 2.755) 4.937 15.483 ( 2.421 -0.249 -4.057) 4.731 16.067 ( -8.241 -6.525 2.334) 10.767 16.496 ( 7.710 -2.069 -7.576) 11.005 16.505 ( -1.642 -4.920 3.517) 6.267 16.847 ( 6.854 -5.063 -13.444) 15.917 17.572 ( -15.503 8.290 16.148) 23.871 17.900 ( -0.332 6.412 -0.697) 6.459 18.002 ( -2.197 4.918 1.697) 5.648 18.958 ( 2.703 -2.315 4.814) 5.987 19.249 ( 4.345 5.161 -3.192) 7.463 19.473 ( 0.279 -3.156 -1.418) 3.471 20.439 ( -0.441 -1.535 8.734) 8.878 20.792 ( -2.065 1.222 -7.488) 7.864 21.404 ( 0.746 2.302 -0.132) 2.424 21.466 ( 0.148 1.156 -4.478) 4.627 21.680 ( -2.398 1.290 5.122) 5.801 22.065 ( 5.012 4.829 -4.998) 8.569 22.277 ( -1.656 -1.605 4.186) 4.779 22.422 ( 1.356 -0.635 -0.453) 1.565 ======================= Grid point 156 (71/117) ======================= q-point: (-0.10 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -8.914 6.532 6.113) 12.629 1.776 ( 2.740 2.714 1.005) 3.985 2.178 ( -7.746 -0.064 7.491) 10.776 2.285 ( -2.281 0.848 -3.370) 4.157 2.648 ( 2.162 2.345 -5.094) 6.010 2.713 ( 6.842 5.455 -10.844) 13.934 2.948 ( 0.112 -0.343 -1.974) 2.007 3.101 ( 0.146 1.333 0.390) 1.397 3.129 ( 0.312 1.429 -1.900) 2.398 3.214 ( 1.362 2.129 3.191) 4.071 3.330 ( -3.714 -1.208 -0.226) 3.912 3.628 ( -1.122 -2.205 7.193) 7.607 3.702 ( -3.055 -0.789 0.226) 3.164 4.033 ( 4.058 5.426 -8.731) 11.052 4.224 ( -0.995 -3.860 -0.111) 3.988 4.320 ( -1.800 -1.692 -1.950) 3.147 4.504 ( 7.226 -1.666 6.446) 9.826 5.057 ( -2.731 -2.850 5.143) 6.483 5.190 ( 10.076 -0.370 -2.947) 10.504 5.516 ( -1.037 2.393 2.624) 3.700 5.634 ( 0.132 9.933 0.404) 9.942 5.791 ( -3.340 5.856 -0.788) 6.787 5.961 ( 0.641 -2.920 -8.396) 8.912 6.063 ( 5.317 0.136 -2.249) 5.775 6.485 ( -0.177 6.305 7.756) 9.997 6.567 ( -2.589 -3.972 8.869) 10.056 6.803 ( -5.081 -0.731 4.419) 6.773 6.930 ( -3.452 -2.645 2.770) 5.157 7.308 ( 3.720 6.735 -4.697) 9.014 7.513 ( -6.252 -0.921 -0.272) 6.326 7.715 ( 1.207 -8.496 -16.340) 18.456 7.930 ( -2.750 1.427 1.888) 3.628 8.225 ( 6.147 -3.102 4.148) 8.039 8.311 ( 4.104 -3.247 -5.452) 7.557 8.892 ( 12.731 -4.111 7.101) 15.146 9.099 ( -4.107 -4.889 -0.986) 6.460 9.188 ( -5.253 -1.452 -1.473) 5.645 9.338 ( 1.159 -0.621 4.371) 4.565 9.499 ( 0.601 5.941 6.311) 8.688 9.664 ( -14.160 2.130 -2.799) 14.590 9.970 ( -4.838 -4.934 9.728) 11.933 10.277 ( 3.389 1.860 -3.321) 5.097 10.445 ( 9.255 -3.571 1.495) 10.032 10.584 ( -1.425 0.110 1.512) 2.081 10.911 ( 10.204 -7.901 -0.654) 12.923 11.234 ( -0.707 2.745 -7.973) 8.462 11.343 ( 3.063 3.830 -1.254) 5.062 11.495 ( -2.060 -0.447 6.249) 6.595 11.628 ( 8.873 -7.640 -7.995) 14.178 11.948 ( 2.733 -6.071 1.313) 6.786 12.209 ( -7.785 5.887 -0.268) 9.763 12.411 ( -5.581 1.571 -3.499) 6.772 12.540 ( -7.041 5.560 3.143) 9.506 12.702 ( -0.777 1.429 -0.703) 1.772 14.565 ( -0.304 1.437 -1.234) 1.919 14.636 ( 0.873 1.176 -0.003) 1.464 14.727 ( -1.235 -1.157 -1.580) 2.315 14.753 ( 1.267 1.019 1.657) 2.321 15.215 ( 1.792 -0.651 1.845) 2.653 15.505 ( -0.701 -0.822 -0.363) 1.139 16.109 ( -4.312 -2.505 -2.319) 5.499 16.448 ( -0.172 4.655 6.347) 7.872 16.594 ( -0.506 -0.528 -4.835) 4.890 16.922 ( -2.211 0.366 -4.364) 4.906 17.435 ( 3.714 -0.035 -2.169) 4.301 17.820 ( 0.128 1.041 -0.037) 1.049 17.940 ( -0.937 0.017 1.059) 1.414 18.984 ( -6.431 -0.559 12.619) 14.174 19.209 ( 10.352 5.057 -6.120) 13.045 19.516 ( -2.536 -2.625 -3.123) 4.804 20.462 ( -1.675 -0.598 8.041) 8.235 20.789 ( 1.058 -2.146 -1.741) 2.959 21.368 ( 0.420 1.586 -0.854) 1.850 21.444 ( 1.192 1.144 -5.093) 5.354 21.662 ( -2.997 -0.922 2.939) 4.298 22.046 ( 2.978 -0.676 -3.699) 4.796 22.306 ( -0.469 -1.459 4.144) 4.418 22.433 ( 0.393 0.109 -0.931) 1.016 ======================= Grid point 162 (72/117) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -7.193 0.000 21.344) 22.523 2.001 ( -5.953 0.000 -5.497) 8.103 2.055 ( 13.023 -0.000 0.862) 13.051 2.112 ( -2.865 0.000 0.925) 3.010 2.393 ( -14.451 0.000 -9.389) 17.233 2.534 ( 1.346 -0.000 8.936) 9.037 2.598 ( 8.016 -0.000 -5.821) 9.907 2.715 ( 2.948 -0.000 -1.910) 3.513 2.890 ( 10.325 -0.000 6.291) 12.091 3.023 ( -5.718 0.000 -0.719) 5.763 3.486 ( 1.986 -0.000 -1.179) 2.309 3.596 ( -1.038 0.000 0.075) 1.041 3.717 ( 2.101 -0.000 0.527) 2.167 3.793 ( -2.279 0.000 -11.058) 11.291 4.369 ( 6.992 -0.000 10.184) 12.353 4.510 ( -3.160 0.000 0.969) 3.306 4.636 ( -13.410 0.000 0.238) 13.412 4.748 ( 10.314 -0.000 -0.607) 10.332 5.336 ( -2.324 0.000 -3.514) 4.213 5.347 ( 0.271 -0.000 -0.916) 0.955 5.927 ( -0.445 0.000 2.855) 2.889 6.012 ( 0.477 -0.000 -2.695) 2.736 6.085 ( 7.831 -0.000 2.198) 8.133 6.183 ( -17.098 0.000 0.247) 17.100 6.486 ( 1.125 -0.000 -1.367) 1.770 6.541 ( 2.683 -0.000 -5.804) 6.394 7.072 ( -7.805 0.000 3.770) 8.668 7.323 ( 6.998 -0.000 -0.228) 7.002 7.531 ( 1.685 -0.000 17.352) 17.434 7.545 ( 4.720 -0.000 3.238) 5.724 7.742 ( -3.947 0.000 -14.207) 14.745 7.937 ( 3.393 -0.000 6.475) 7.310 8.016 ( -1.074 0.000 -0.105) 1.080 8.195 ( -16.971 0.000 -4.566) 17.574 8.609 ( -3.522 0.000 7.823) 8.579 8.799 ( 4.632 -0.000 3.395) 5.743 9.087 ( 6.835 -0.000 -18.447) 19.673 9.135 ( 2.465 -0.000 -3.784) 4.516 9.502 ( -0.757 0.000 2.570) 2.679 9.597 ( 2.892 -0.000 13.822) 14.122 9.695 ( 0.372 -0.000 -1.503) 1.548 9.953 ( 0.315 -0.000 5.396) 5.405 10.258 ( 1.459 -0.000 -4.237) 4.481 10.320 ( -1.562 0.000 -9.822) 9.946 10.659 ( -0.107 0.000 10.615) 10.616 10.756 ( -3.259 0.000 0.627) 3.319 11.095 ( 8.191 -0.000 -10.864) 13.606 11.340 ( -7.985 0.000 -5.502) 9.697 11.445 ( 9.822 -0.000 -2.517) 10.140 11.540 ( 1.211 -0.000 -3.004) 3.239 12.462 ( 1.146 -0.000 0.831) 1.415 12.508 ( -3.315 0.000 1.247) 3.542 12.767 ( 2.897 -0.000 9.460) 9.894 13.241 ( -1.075 0.000 -7.411) 7.489 13.985 ( -0.258 0.000 1.697) 1.716 14.217 ( 4.338 -0.000 -10.604) 11.457 14.890 ( -5.417 0.000 16.047) 16.937 15.278 ( -4.920 0.000 11.259) 12.287 15.372 ( -0.480 0.000 -4.979) 5.002 15.613 ( 0.610 -0.000 3.696) 3.746 15.748 ( 0.941 -0.000 -3.841) 3.954 15.883 ( -1.931 0.000 -0.323) 1.958 16.138 ( -0.133 0.000 -1.179) 1.186 16.544 ( 16.507 -0.000 -31.483) 35.548 18.198 ( 0.277 -0.000 1.038) 1.074 18.218 ( 0.000 -0.000 0.383) 0.383 18.526 ( -1.198 0.000 18.066) 18.106 18.705 ( -1.464 0.000 -1.235) 1.915 19.203 ( 4.728 -0.000 17.213) 17.850 19.705 ( -0.775 0.000 4.728) 4.791 20.347 ( -1.732 0.000 5.080) 5.368 21.121 ( 0.237 -0.000 -25.101) 25.102 21.479 ( -5.191 0.000 -1.170) 5.321 21.596 ( 3.263 -0.000 -4.778) 5.786 22.040 ( -6.383 0.000 9.656) 11.574 22.239 ( -5.770 0.000 6.398) 8.616 22.258 ( -2.428 0.000 -4.189) 4.842 22.414 ( 9.485 -0.000 1.066) 9.545 ======================= Grid point 163 (73/117) ======================= q-point: (-0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -7.037 -17.144 13.983) 23.215 1.958 ( -13.028 -1.692 -2.398) 13.355 2.115 ( -0.714 -1.785 7.980) 8.208 2.165 ( -1.856 -6.847 -5.406) 8.919 2.323 ( -6.239 -3.309 -7.682) 10.435 2.519 ( -3.888 -0.820 7.291) 8.303 2.683 ( 4.574 -3.035 -3.677) 6.607 2.774 ( 9.861 -1.113 -2.751) 10.298 2.972 ( -0.631 -2.844 1.683) 3.364 3.082 ( 2.936 -7.564 0.390) 8.123 3.474 ( -0.999 2.521 -2.604) 3.760 3.559 ( -0.988 2.643 0.132) 2.825 3.718 ( 1.940 0.192 4.494) 4.899 3.784 ( -1.692 -1.338 -9.307) 9.554 4.381 ( 1.386 4.814 7.245) 8.809 4.466 ( -1.399 1.573 2.068) 2.951 4.523 ( -6.133 2.398 -4.354) 7.895 4.816 ( 6.028 -0.376 4.190) 7.351 5.291 ( -1.224 1.787 -3.697) 4.284 5.373 ( -0.528 -2.075 -2.274) 3.123 5.875 ( -5.157 3.400 3.152) 6.935 5.996 ( -9.546 -0.989 -1.852) 9.774 6.070 ( 0.145 -0.223 -1.949) 1.968 6.137 ( -4.446 -1.308 1.447) 4.855 6.524 ( -0.412 -3.632 -2.866) 4.645 6.628 ( 6.508 -4.764 -2.453) 8.430 6.997 ( -7.194 1.974 2.772) 7.958 7.355 ( 6.055 4.057 1.764) 7.499 7.498 ( 4.424 5.970 6.169) 9.658 7.581 ( -6.985 5.911 -4.212) 10.073 7.638 ( 2.311 -2.439 10.099) 10.643 7.907 ( -5.169 1.559 -1.059) 5.501 8.108 ( 7.163 0.301 -0.675) 7.201 8.171 ( 3.140 -7.211 -1.326) 7.975 8.608 ( 0.167 -1.095 5.459) 5.570 8.846 ( 6.307 -1.194 2.285) 6.814 9.060 ( -0.720 4.783 -5.450) 7.287 9.213 ( 12.892 -3.244 -15.709) 20.579 9.530 ( 0.317 -2.137 1.361) 2.553 9.666 ( 1.082 -3.867 14.099) 14.660 9.691 ( 1.637 0.941 -1.544) 2.439 10.005 ( 1.676 -3.223 6.487) 7.435 10.265 ( -3.077 -1.685 -5.154) 6.234 10.347 ( 3.409 -2.765 -7.941) 9.073 10.634 ( -0.240 2.877 9.884) 10.297 10.780 ( 1.423 -3.567 -0.107) 3.842 11.149 ( 2.951 -1.568 -8.328) 8.974 11.333 ( -5.795 -5.638 -5.521) 9.790 11.485 ( 9.838 3.184 -3.008) 10.769 11.580 ( 4.515 -1.667 -2.390) 5.374 12.456 ( -3.501 -0.534 1.411) 3.812 12.504 ( -3.239 -1.975 0.198) 3.799 12.776 ( 0.763 1.829 9.079) 9.293 13.150 ( -2.449 6.358 -7.173) 9.893 14.071 ( 0.501 -8.192 1.815) 8.406 14.315 ( 3.828 -6.527 -9.568) 12.198 14.841 ( -5.064 1.946 13.489) 14.539 15.224 ( -3.281 2.998 8.275) 9.393 15.302 ( -0.483 6.152 -5.098) 8.005 15.648 ( -1.796 -3.582 3.386) 5.246 15.707 ( 1.901 3.434 -2.908) 4.885 15.957 ( -0.784 -7.757 -0.203) 7.799 16.175 ( 0.512 -3.872 -2.965) 4.904 16.649 ( 15.733 -0.946 -27.891) 32.037 18.166 ( -2.056 2.839 2.253) 4.167 18.229 ( 0.147 -0.105 0.345) 0.389 18.407 ( -5.369 11.135 20.132) 23.624 18.736 ( -0.949 -3.685 -0.360) 3.822 19.290 ( 5.648 -2.015 16.620) 17.668 19.638 ( -2.840 5.003 0.670) 5.792 20.353 ( -0.385 -0.701 7.344) 7.387 21.042 ( -2.370 4.128 -25.880) 26.314 21.439 ( -4.502 -0.185 -2.665) 5.235 21.607 ( 6.368 2.252 -3.386) 7.556 21.957 ( -8.241 3.747 10.857) 14.136 22.193 ( -2.186 1.171 4.191) 4.870 22.265 ( -0.439 -2.620 -2.875) 3.914 22.462 ( 8.095 3.229 1.067) 8.780 ======================= Grid point 164 (74/117) ======================= q-point: (-0.30 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( -4.207 -11.571 2.394) 12.543 1.840 ( -16.058 1.052 -1.534) 16.166 2.107 ( -13.014 -1.526 13.319) 18.684 2.291 ( -6.712 -3.361 -2.567) 7.934 2.342 ( -2.027 -9.184 0.681) 9.429 2.627 ( -0.027 -9.065 -2.593) 9.429 2.746 ( 2.063 -1.536 -3.130) 4.051 2.891 ( 8.492 -3.016 -5.856) 10.747 3.089 ( -2.060 -11.045 2.642) 11.542 3.248 ( 1.426 -6.740 -2.562) 7.350 3.378 ( -3.600 4.055 -1.373) 5.593 3.499 ( 1.102 3.492 0.045) 3.662 3.752 ( -2.474 -1.383 -0.663) 2.911 3.809 ( 2.725 -3.663 1.578) 4.831 4.265 ( -1.202 6.315 3.550) 7.343 4.434 ( -1.781 2.932 -1.329) 3.679 4.441 ( 1.747 1.861 -1.566) 2.995 4.874 ( 1.939 -1.605 8.492) 8.857 5.249 ( 2.195 2.136 -6.136) 6.858 5.399 ( -1.267 -1.545 -3.386) 3.931 5.768 ( -9.465 0.649 2.242) 9.749 5.953 ( -5.448 -0.579 0.253) 5.485 6.076 ( 0.817 0.705 -3.677) 3.832 6.100 ( -8.057 0.062 0.609) 8.080 6.607 ( -0.955 -5.866 -5.829) 8.324 6.757 ( 4.724 -1.958 3.234) 6.051 6.894 ( -5.014 3.634 2.454) 6.661 7.263 ( 1.466 9.682 -3.133) 10.281 7.306 ( -1.279 7.904 5.158) 9.525 7.578 ( 3.508 -2.531 3.014) 5.272 7.667 ( -4.834 -0.723 4.465) 6.620 7.819 ( -0.847 5.812 1.213) 5.998 8.140 ( 8.963 -0.158 0.327) 8.970 8.385 ( 12.797 -3.662 1.187) 13.364 8.663 ( 7.594 -0.530 2.124) 7.903 8.938 ( -1.758 4.294 -2.928) 5.486 8.970 ( 3.366 -6.988 -2.091) 8.033 9.369 ( 10.152 -2.971 -11.395) 15.548 9.563 ( 2.076 -0.219 0.091) 2.089 9.690 ( 2.114 0.090 -0.968) 2.327 9.794 ( 0.686 -6.727 13.071) 14.717 10.091 ( 4.124 -2.458 6.038) 7.714 10.280 ( 1.815 -1.770 -8.690) 9.052 10.416 ( 0.660 -2.801 -3.162) 4.275 10.591 ( -0.404 1.934 10.094) 10.285 10.928 ( 7.261 -8.198 -1.138) 11.010 11.193 ( -1.436 -3.830 -5.851) 7.139 11.408 ( -4.125 -5.738 -2.689) 7.561 11.502 ( 11.867 3.285 -6.258) 13.813 11.651 ( 4.435 -2.193 0.415) 4.965 12.438 ( -7.092 -1.558 0.776) 7.303 12.508 ( -5.013 -1.211 0.005) 5.157 12.738 ( -2.020 2.269 6.477) 7.154 12.981 ( -2.993 7.524 -5.131) 9.586 14.271 ( -0.457 -11.153 1.201) 11.227 14.450 ( 1.854 -5.320 -4.284) 7.078 14.790 ( -3.956 0.383 7.777) 8.734 15.126 ( 1.014 7.748 -3.391) 8.519 15.171 ( -0.906 4.461 3.304) 5.625 15.590 ( -0.018 4.809 -4.841) 6.824 15.779 ( -4.935 -7.359 4.458) 9.919 16.135 ( 1.971 -10.093 -1.681) 10.420 16.291 ( 3.243 -7.207 -3.236) 8.540 16.758 ( 14.617 -0.818 -23.528) 27.711 17.997 ( -15.980 11.509 19.087) 27.425 18.163 ( -1.768 8.288 9.023) 12.379 18.207 ( 0.030 3.421 -1.219) 3.632 18.807 ( -2.053 -4.536 1.758) 5.280 19.372 ( 2.570 -0.698 8.354) 8.768 19.519 ( 2.941 5.983 -1.096) 6.756 20.381 ( 0.163 -1.250 8.917) 9.006 20.894 ( -5.050 4.282 -21.121) 22.135 21.412 ( -3.228 -0.625 -3.686) 4.939 21.595 ( 5.822 4.096 -2.158) 7.438 21.820 ( -6.019 5.036 9.093) 12.011 22.182 ( -0.798 -0.752 3.803) 3.958 22.324 ( 4.522 -1.004 -2.022) 5.054 22.421 ( 4.005 5.424 0.202) 6.745 ======================= Grid point 165 (75/117) ======================= q-point: (-0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( -10.509 -0.568 3.687) 11.152 1.711 ( -9.293 -4.264 -5.132) 11.440 2.050 ( -15.621 -4.217 14.627) 21.812 2.292 ( -2.689 -1.149 0.696) 3.005 2.508 ( -4.804 -8.933 -3.289) 10.662 2.752 ( 0.438 -3.764 -5.783) 6.914 2.818 ( 2.108 -5.744 -2.199) 6.502 2.985 ( 4.705 -2.388 -5.509) 7.628 3.216 ( -2.341 0.286 -1.625) 2.864 3.304 ( -3.104 0.078 -1.287) 3.361 3.373 ( -1.296 -3.606 2.795) 4.743 3.467 ( 0.511 -2.892 -0.287) 2.951 3.727 ( -3.070 1.024 -2.174) 3.899 3.961 ( 5.188 -7.191 3.453) 9.516 4.166 ( -0.815 2.640 3.207) 4.233 4.363 ( -0.275 2.898 -5.497) 6.220 4.449 ( 5.169 0.371 2.854) 5.916 4.924 ( -3.663 -3.063 11.348) 12.311 5.243 ( 8.707 1.895 -8.911) 12.602 5.412 ( -2.725 -2.420 -3.072) 4.767 5.721 ( -10.304 -3.184 1.132) 10.844 5.909 ( -5.533 1.062 2.044) 5.993 6.001 ( -8.073 2.698 -1.308) 8.612 6.070 ( 2.242 0.061 -3.491) 4.149 6.639 ( -2.152 3.065 0.335) 3.759 6.782 ( -6.543 2.238 2.534) 7.365 6.817 ( 7.614 0.375 5.841) 9.603 7.028 ( -3.193 11.121 -5.357) 12.750 7.259 ( -2.376 -1.704 4.742) 5.571 7.619 ( -6.499 -0.308 -1.456) 6.667 7.664 ( 3.668 9.527 -0.086) 10.209 7.740 ( 7.338 -7.971 0.455) 10.844 8.256 ( 13.539 0.863 4.041) 14.155 8.399 ( 5.101 6.836 -6.808) 10.913 8.783 ( 17.346 -0.838 6.433) 18.519 8.921 ( -3.718 -4.636 -1.603) 6.155 9.113 ( -0.483 -5.644 -3.292) 6.552 9.407 ( 3.099 2.519 -3.249) 5.148 9.572 ( 1.059 0.585 -1.352) 1.814 9.731 ( 1.557 -1.640 0.970) 2.461 9.872 ( -5.530 -0.051 13.394) 14.490 10.233 ( 11.027 -6.297 -3.735) 13.236 10.331 ( 6.409 0.942 -3.379) 7.307 10.494 ( -0.391 -7.915 0.248) 7.928 10.591 ( 2.288 -0.522 7.967) 8.306 11.175 ( 10.383 -8.324 -1.029) 13.347 11.263 ( 0.157 -5.488 -4.855) 7.329 11.461 ( -2.780 -2.763 -2.011) 4.405 11.524 ( 10.154 3.012 -6.513) 12.433 11.745 ( 4.479 -3.894 2.577) 6.470 12.380 ( -9.559 1.398 1.495) 9.775 12.449 ( -10.553 0.645 -1.313) 10.654 12.688 ( -3.495 1.150 3.584) 5.136 12.815 ( -4.353 6.350 -3.052) 8.282 14.444 ( -2.162 -7.318 -0.251) 7.635 14.535 ( 0.359 -3.452 0.664) 3.533 14.783 ( -2.475 -0.720 2.589) 3.653 14.963 ( -0.867 7.975 -1.814) 8.225 15.142 ( 4.146 0.289 1.387) 4.381 15.519 ( 1.835 2.512 -3.882) 4.975 15.856 ( -10.680 -7.265 3.563) 13.400 16.344 ( 2.463 -9.291 -3.132) 10.109 16.475 ( 5.232 -7.281 -1.046) 9.027 16.857 ( 13.880 -0.509 -20.641) 24.879 17.630 ( -19.336 10.945 20.319) 30.109 18.025 ( -0.482 7.100 1.876) 7.359 18.113 ( 0.045 6.005 -1.410) 6.169 18.864 ( -7.357 -4.454 6.954) 11.060 19.373 ( 2.309 1.353 -2.563) 3.705 19.482 ( 7.040 3.264 1.365) 7.879 20.420 ( 0.031 -1.397 9.285) 9.390 20.779 ( -4.362 1.359 -12.628) 13.429 21.405 ( -1.620 -1.112 -3.572) 4.077 21.532 ( 1.701 5.126 -0.814) 5.462 21.715 ( -1.910 3.372 5.311) 6.575 22.208 ( 2.722 -0.016 1.809) 3.268 22.272 ( 2.428 7.298 -0.456) 7.705 22.417 ( 2.068 -1.509 -0.465) 2.602 ======================= Grid point 166 (76/117) ======================= q-point: (-0.10 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( -10.710 -0.065 9.146) 14.084 1.771 ( -0.645 -4.017 -4.193) 5.842 2.054 ( -11.188 -4.922 10.326) 16.000 2.275 ( -2.622 0.293 -3.926) 4.730 2.593 ( -4.532 -4.796 -3.953) 7.692 2.793 ( 2.010 -0.569 -8.943) 9.183 2.944 ( 3.619 -3.822 -2.537) 5.843 3.067 ( 1.890 -4.242 -2.276) 5.172 3.157 ( -2.701 2.341 -0.164) 3.578 3.250 ( -1.996 2.416 -0.746) 3.222 3.348 ( 2.284 3.427 1.681) 4.448 3.570 ( -2.772 -4.389 5.349) 7.455 3.667 ( -3.892 0.952 -0.495) 4.038 4.112 ( 3.447 -1.521 -5.427) 6.607 4.160 ( 0.802 -1.763 1.771) 2.624 4.316 ( 2.878 1.655 -4.630) 5.697 4.512 ( 3.466 -2.329 5.930) 7.253 4.959 ( -7.101 -3.495 11.658) 14.090 5.293 ( 12.630 0.854 -8.552) 15.277 5.453 ( -4.146 -4.348 -1.316) 6.150 5.688 ( -9.578 -1.237 -0.295) 9.662 5.828 ( -6.921 2.167 0.608) 7.278 5.919 ( -1.874 0.104 -0.948) 2.103 6.116 ( 5.237 -1.440 -4.466) 7.031 6.530 ( -1.906 4.768 5.417) 7.464 6.680 ( -2.807 6.294 13.002) 14.715 6.773 ( -1.986 6.320 -0.927) 6.690 6.895 ( 0.397 0.220 -1.296) 1.373 7.348 ( -1.125 -7.826 -0.213) 7.909 7.514 ( 1.575 7.020 -1.380) 7.325 7.580 ( -3.214 -0.812 -6.213) 7.042 7.972 ( 7.457 -4.637 -3.473) 9.443 8.190 ( 5.528 4.866 -4.202) 8.479 8.407 ( 8.589 2.536 0.826) 8.994 8.944 ( 10.780 -3.321 5.853) 12.708 9.000 ( 2.745 -3.224 -1.014) 4.354 9.151 ( -2.454 -0.412 -3.095) 3.971 9.371 ( 1.507 2.340 2.153) 3.519 9.549 ( -2.256 1.990 -0.367) 3.030 9.691 ( -3.388 5.573 -0.204) 6.525 9.854 ( -5.586 -3.309 14.054) 15.481 10.328 ( 1.762 1.212 0.048) 2.139 10.426 ( 7.060 -5.481 -1.446) 9.054 10.555 ( -2.456 -0.840 3.656) 4.484 10.808 ( 12.375 -11.028 -1.908) 16.685 11.254 ( 1.014 0.141 -6.023) 6.109 11.445 ( -0.948 -0.295 -1.464) 1.769 11.472 ( 4.713 -0.231 2.302) 5.250 11.568 ( 12.583 -4.405 -7.085) 15.097 11.861 ( 0.210 -4.638 5.680) 7.337 12.247 ( -7.572 3.960 -0.142) 8.546 12.333 ( -14.682 0.246 -3.440) 15.082 12.606 ( -4.111 4.914 3.733) 7.415 12.706 ( -2.412 0.923 -1.979) 3.254 14.527 ( -1.660 -3.798 -1.033) 4.272 14.602 ( -0.493 -3.468 0.867) 3.608 14.746 ( -1.973 2.771 -0.625) 3.459 14.829 ( 0.042 5.282 0.844) 5.349 15.209 ( 4.515 -2.191 0.337) 5.029 15.499 ( -0.557 0.798 0.272) 1.011 15.937 ( -6.394 -9.099 -0.018) 11.121 16.474 ( -3.014 -2.876 3.051) 5.164 16.597 ( 6.074 -1.251 -4.417) 7.614 16.931 ( 5.768 0.948 -9.270) 10.959 17.423 ( -3.875 0.115 2.498) 4.612 17.891 ( -1.024 5.838 0.155) 5.929 18.004 ( 2.211 5.280 -1.435) 5.901 18.871 ( -12.827 -3.499 12.877) 18.510 19.383 ( 8.918 2.207 -5.936) 10.938 19.471 ( 0.971 1.459 0.113) 1.757 20.450 ( -0.771 -0.759 8.600) 8.667 20.748 ( -1.561 -1.642 -4.991) 5.481 21.406 ( -0.398 0.939 -0.971) 1.408 21.457 ( -0.154 1.812 -3.901) 4.304 21.662 ( -0.382 1.994 2.859) 3.506 22.124 ( 2.717 6.757 -2.863) 7.825 22.268 ( -0.312 -2.474 3.499) 4.297 22.447 ( 1.784 0.243 -0.345) 1.833 ======================= Grid point 173 (77/117) ======================= q-point: (-0.40 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -9.037 0.000 18.129) 20.257 1.794 ( -18.926 0.000 0.902) 18.947 2.030 ( -6.546 0.000 -2.303) 6.939 2.115 ( -8.244 0.000 -7.312) 11.019 2.200 ( -5.918 0.000 -1.434) 6.089 2.540 ( -2.343 0.000 10.275) 10.539 2.662 ( 2.965 -0.000 -3.426) 4.531 2.849 ( 10.832 -0.000 0.817) 10.863 2.915 ( -7.034 0.000 -3.440) 7.830 3.069 ( 10.524 -0.000 4.597) 11.484 3.508 ( 1.804 -0.000 -5.374) 5.669 3.571 ( -1.559 0.000 -1.112) 1.915 3.730 ( -2.803 0.000 -9.443) 9.850 3.742 ( -0.803 0.000 7.256) 7.301 4.437 ( -5.100 0.000 -2.303) 5.596 4.481 ( 3.872 -0.000 8.101) 8.979 4.504 ( -1.711 0.000 -10.584) 10.722 4.837 ( -0.643 0.000 10.638) 10.657 5.311 ( 1.673 -0.000 -6.540) 6.750 5.334 ( -1.711 0.000 0.730) 1.860 5.866 ( -17.058 0.000 -2.015) 17.177 5.908 ( -3.112 0.000 2.956) 4.292 5.991 ( -5.345 0.000 -6.041) 8.066 6.101 ( -4.937 0.000 4.948) 6.990 6.503 ( 3.001 -0.000 -1.867) 3.534 6.659 ( 12.024 -0.000 -5.084) 13.054 6.953 ( -7.621 0.000 1.401) 7.749 7.487 ( 12.341 -0.000 0.030) 12.341 7.547 ( -7.933 0.000 11.066) 13.615 7.566 ( -2.223 0.000 2.458) 3.314 7.713 ( 1.960 -0.000 -15.544) 15.667 7.853 ( -4.891 0.000 9.945) 11.082 8.069 ( 6.898 -0.000 -4.246) 8.100 8.264 ( 19.648 -0.000 5.040) 20.284 8.604 ( 0.809 -0.000 6.894) 6.941 8.916 ( 8.615 -0.000 3.749) 9.395 9.098 ( 1.298 -0.000 -6.701) 6.825 9.295 ( 15.997 -0.000 -10.688) 19.239 9.504 ( 0.182 -0.000 1.853) 1.862 9.635 ( -1.129 0.000 9.744) 9.809 9.738 ( 5.204 -0.000 0.005) 5.204 10.000 ( 3.631 -0.000 7.724) 8.535 10.211 ( -3.133 0.000 -5.759) 6.555 10.334 ( 3.586 -0.000 -9.448) 10.106 10.684 ( 0.097 -0.000 10.407) 10.407 10.758 ( 4.022 -0.000 -1.994) 4.489 11.167 ( 3.603 -0.000 -6.220) 7.188 11.198 ( -8.069 0.000 -5.845) 9.964 11.594 ( 6.347 -0.000 -4.752) 7.929 11.612 ( 11.477 -0.000 -1.724) 11.606 12.427 ( -5.714 0.000 2.166) 6.111 12.432 ( -6.616 0.000 -0.301) 6.623 12.816 ( 0.431 -0.000 10.890) 10.899 13.177 ( -4.632 0.000 -8.895) 10.029 14.006 ( 2.360 -0.000 1.276) 2.683 14.268 ( 5.234 -0.000 -11.550) 12.681 14.838 ( -5.581 0.000 16.559) 17.474 15.209 ( -5.488 0.000 7.301) 9.134 15.376 ( 1.136 -0.000 -4.288) 4.436 15.623 ( -0.295 0.000 4.241) 4.251 15.736 ( -1.605 0.000 -3.410) 3.769 15.862 ( -0.299 0.000 -0.250) 0.389 16.139 ( 0.594 -0.000 -1.845) 1.938 16.740 ( 17.386 -0.000 -29.886) 34.575 18.206 ( 0.383 -0.000 0.680) 0.780 18.214 ( -0.661 0.000 0.491) 0.824 18.549 ( -1.021 0.000 15.858) 15.891 18.646 ( -5.800 0.000 -0.310) 5.809 19.351 ( 7.902 -0.000 28.611) 29.682 19.645 ( -6.085 0.000 -1.860) 6.363 20.356 ( 0.335 -0.000 9.437) 9.443 21.032 ( -3.625 0.000 -31.415) 31.623 21.400 ( -3.841 0.000 -3.148) 4.966 21.684 ( 8.142 -0.000 -3.179) 8.741 21.946 ( -7.743 0.000 11.214) 13.628 22.186 ( -2.950 0.000 2.875) 4.119 22.204 ( -3.287 0.000 -2.293) 4.007 22.581 ( 10.688 -0.000 2.952) 11.088 ======================= Grid point 174 (78/117) ======================= q-point: (-0.30 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -5.877 -18.607 8.817) 21.412 1.662 ( -22.424 -2.528 2.180) 22.671 1.981 ( -13.816 -1.391 3.377) 14.291 2.076 ( -8.690 -4.106 -7.029) 11.907 2.206 ( -9.294 -7.615 -1.318) 12.087 2.515 ( 0.582 -0.489 7.597) 7.635 2.711 ( -0.697 -2.010 -3.683) 4.253 2.885 ( -5.775 -5.241 4.202) 8.859 2.956 ( 10.418 -0.784 -4.364) 11.322 3.192 ( 8.340 -3.235 1.226) 9.029 3.449 ( -0.950 5.415 -5.755) 7.959 3.550 ( 0.359 1.188 -1.629) 2.048 3.710 ( -2.082 -1.093 -4.572) 5.141 3.762 ( -1.274 -2.344 7.059) 7.546 4.347 ( -6.540 3.753 -2.541) 7.958 4.469 ( 3.770 2.941 -13.188) 14.028 4.498 ( 1.747 1.152 4.921) 5.347 4.847 ( -4.236 -1.467 14.911) 15.570 5.296 ( 2.320 1.271 -3.817) 4.644 5.357 ( 0.248 -1.663 -3.259) 3.667 5.700 ( -14.501 2.021 -1.084) 14.681 5.899 ( -3.277 -1.617 -0.748) 3.730 5.980 ( -8.924 -2.694 -3.153) 9.840 6.067 ( -4.247 -0.460 1.969) 4.704 6.540 ( 3.186 -1.202 -5.235) 6.245 6.769 ( 9.506 -1.908 -1.919) 9.883 6.887 ( -6.877 1.083 1.255) 7.074 7.445 ( -4.785 6.352 5.295) 9.554 7.501 ( -7.131 -1.200 -3.073) 7.857 7.520 ( 7.905 8.797 0.249) 11.830 7.674 ( 5.712 0.576 2.532) 6.274 7.879 ( -0.179 -0.578 1.468) 1.588 8.194 ( 13.084 -2.155 -1.813) 13.383 8.441 ( 17.284 -1.752 5.876) 18.340 8.668 ( 7.363 -3.612 4.770) 9.487 8.963 ( 6.651 1.484 4.291) 8.053 9.059 ( 2.666 5.031 -5.409) 7.854 9.414 ( 13.908 -0.232 -9.275) 16.719 9.540 ( 0.704 -2.794 -0.340) 2.902 9.673 ( 0.806 -2.914 3.540) 4.655 9.785 ( 7.071 -0.193 5.341) 8.864 10.068 ( 3.920 -2.608 7.779) 9.093 10.218 ( -0.117 -3.206 -7.586) 8.237 10.383 ( 2.864 -2.510 -5.675) 6.835 10.658 ( 0.351 3.308 8.460) 9.090 10.855 ( 8.389 -5.500 -1.824) 10.196 11.121 ( -3.828 -0.735 -5.732) 6.932 11.262 ( -1.131 -6.126 -3.614) 7.202 11.643 ( 9.939 0.668 -4.897) 11.100 11.678 ( 8.127 1.704 -0.243) 8.308 12.350 ( -9.801 -0.169 0.886) 9.842 12.426 ( -6.765 -2.756 0.939) 7.365 12.791 ( -1.476 3.453 9.730) 10.429 13.069 ( -5.618 5.246 -8.476) 11.442 14.097 ( 2.214 -6.838 1.291) 7.303 14.356 ( 4.049 -5.291 -9.215) 11.372 14.789 ( -5.042 2.002 12.750) 13.856 15.201 ( -1.505 -1.057 4.313) 4.689 15.289 ( 0.090 7.848 -4.409) 9.002 15.596 ( -4.398 1.128 1.150) 4.683 15.717 ( -0.775 0.407 0.480) 0.999 15.965 ( 1.975 -8.834 0.467) 9.064 16.188 ( 1.642 -4.824 -3.412) 6.133 16.850 ( 18.061 -0.235 -27.681) 33.053 18.120 ( -5.271 7.856 4.644) 10.539 18.228 ( -0.342 0.415 0.818) 0.979 18.361 ( -5.411 12.300 14.088) 19.469 18.693 ( -4.710 -4.726 2.320) 7.064 19.423 ( 3.070 2.691 20.116) 20.526 19.601 ( 1.383 0.292 1.867) 2.342 20.377 ( 0.413 -0.610 10.739) 10.765 20.901 ( -7.320 4.345 -30.065) 31.247 21.372 ( -2.852 -0.299 -3.786) 4.749 21.718 ( 7.407 3.168 -2.803) 8.530 21.864 ( -5.994 3.294 9.420) 11.641 22.152 ( -3.281 -0.506 3.960) 5.167 22.261 ( 0.189 -5.688 -2.235) 6.114 22.613 ( 9.692 5.859 2.943) 11.701 ======================= Grid point 175 (79/117) ======================= q-point: (-0.20 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -4.970 -10.800 1.692) 12.009 1.523 ( -20.519 -1.898 -1.641) 20.672 1.850 ( -19.929 -2.772 17.061) 26.381 2.160 ( -7.593 -9.256 -10.370) 15.839 2.300 ( -4.845 -8.096 1.799) 9.605 2.612 ( -1.902 -7.217 -0.276) 7.468 2.717 ( -4.625 -3.473 -2.453) 6.282 3.019 ( 5.631 -2.990 0.260) 6.381 3.057 ( 0.722 -9.497 -0.834) 9.561 3.273 ( 0.227 0.444 -0.905) 1.034 3.339 ( 1.345 2.669 -5.850) 6.569 3.520 ( 1.299 2.801 -0.467) 3.123 3.713 ( -0.534 -0.717 -4.194) 4.288 3.853 ( 0.448 -6.629 8.305) 10.636 4.209 ( -7.009 3.682 -0.519) 7.935 4.423 ( 3.141 3.137 -7.837) 9.006 4.504 ( 4.660 1.163 0.658) 4.847 4.855 ( -5.976 -1.739 15.529) 16.730 5.305 ( 3.167 -0.263 -2.974) 4.353 5.373 ( 1.313 -0.033 -7.250) 7.368 5.578 ( -13.421 -1.187 -0.093) 13.473 5.890 ( -3.896 1.143 -0.509) 4.092 5.923 ( -11.758 -1.391 1.796) 11.975 6.062 ( -1.303 -1.446 -5.592) 5.921 6.591 ( 0.124 -3.451 -6.752) 7.584 6.798 ( -4.582 3.288 1.958) 5.970 6.845 ( 1.670 -1.237 3.592) 4.150 7.230 ( -2.765 11.127 1.223) 11.530 7.411 ( 8.553 10.856 4.549) 14.550 7.529 ( -3.160 -4.783 -3.176) 6.554 7.699 ( 1.213 0.537 3.007) 3.287 7.867 ( 9.160 3.912 -2.814) 10.351 8.336 ( 12.950 -2.626 3.647) 13.708 8.557 ( 8.361 2.810 0.067) 8.821 8.838 ( 9.454 -3.235 -1.146) 10.058 8.961 ( 9.090 3.772 2.888) 10.256 9.029 ( 4.982 -1.395 -1.078) 5.284 9.458 ( 2.902 1.467 -2.838) 4.316 9.589 ( 1.619 -0.719 -2.930) 3.424 9.737 ( 3.248 -0.835 -1.321) 3.604 9.862 ( 3.455 -0.469 9.218) 9.856 10.180 ( 4.600 -5.143 4.983) 8.511 10.345 ( 7.389 -8.429 -7.212) 13.329 10.409 ( 2.023 1.644 -0.740) 2.710 10.622 ( 1.159 1.381 7.440) 7.656 11.086 ( 7.897 -9.412 -2.084) 12.462 11.154 ( 3.363 -5.391 -3.709) 7.357 11.369 ( 0.241 -5.394 -2.771) 6.069 11.667 ( 8.474 4.432 -5.387) 10.976 11.726 ( 5.447 -1.876 2.855) 6.429 12.284 ( -11.902 -1.706 0.343) 12.029 12.392 ( -9.868 1.027 2.508) 10.234 12.700 ( -4.400 3.403 5.326) 7.701 12.896 ( -6.218 6.586 -6.085) 10.912 14.269 ( -0.107 -8.990 0.862) 9.032 14.469 ( 1.532 -4.280 -2.337) 5.112 14.745 ( -3.116 -0.410 5.197) 6.073 15.112 ( -1.459 8.725 -3.109) 9.376 15.211 ( 4.893 1.972 0.609) 5.310 15.553 ( -2.849 -0.588 -3.548) 4.589 15.688 ( -7.284 -0.385 4.769) 8.715 16.185 ( 4.443 -10.093 -0.962) 11.070 16.342 ( 3.477 -9.216 -2.454) 10.151 16.966 ( 18.769 0.442 -24.841) 31.137 17.761 ( -18.858 16.897 17.552) 30.810 18.156 ( -1.450 6.513 4.863) 8.257 18.205 ( -0.046 3.959 -0.298) 3.971 18.723 ( -9.337 -3.694 5.258) 11.335 19.379 ( -2.904 1.035 4.376) 5.353 19.629 ( 9.021 3.350 3.284) 10.168 20.409 ( 0.197 -1.028 10.791) 10.842 20.745 ( -7.267 1.679 -18.500) 19.947 21.361 ( -1.889 -1.113 -4.129) 4.675 21.653 ( 0.295 6.206 0.589) 6.240 21.784 ( 0.797 3.573 4.324) 5.665 22.169 ( -1.244 -2.370 3.871) 4.706 22.379 ( 2.677 -4.666 -1.516) 5.589 22.517 ( 7.083 10.998 1.034) 13.122 ======================= Grid point 176 (80/117) ======================= q-point: (-0.10 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -17.441 -4.240 11.170) 21.141 1.630 ( -3.937 -7.654 -5.513) 10.221 1.866 ( -9.118 -7.197 10.048) 15.359 2.215 ( -5.927 -3.626 -6.820) 9.736 2.425 ( -5.168 -7.700 -1.511) 9.395 2.697 ( -5.248 -6.633 -5.841) 10.279 2.823 ( -0.105 -8.214 1.022) 8.278 3.056 ( 4.298 1.091 -3.857) 5.877 3.180 ( -1.005 1.026 -0.789) 1.639 3.276 ( -0.863 -2.055 -1.102) 2.487 3.370 ( 0.345 -5.744 -0.366) 5.766 3.473 ( 1.207 2.251 0.820) 2.683 3.684 ( -3.115 2.826 -1.340) 4.414 4.018 ( 0.652 -8.434 0.881) 8.505 4.148 ( -1.436 -1.116 3.153) 3.640 4.390 ( 4.208 2.421 -4.652) 6.724 4.520 ( 3.509 0.789 0.373) 3.616 4.861 ( -6.205 -2.267 13.938) 15.424 5.327 ( -2.715 -1.679 0.829) 3.298 5.399 ( 7.710 -0.733 -11.726) 14.053 5.528 ( -12.559 -4.243 1.654) 13.359 5.792 ( -9.732 1.655 -1.037) 9.926 5.870 ( -7.930 -0.939 3.981) 8.923 6.093 ( 1.851 -2.206 -8.073) 8.571 6.627 ( -1.364 -1.186 0.870) 2.006 6.679 ( -4.250 5.679 0.469) 7.109 6.906 ( 1.341 -1.273 -3.430) 3.897 7.012 ( 0.881 9.538 7.837) 12.376 7.272 ( 1.842 6.425 5.205) 8.471 7.554 ( -1.168 -0.085 -1.792) 2.141 7.662 ( 0.085 3.517 0.465) 3.548 7.943 ( 13.679 -1.880 -5.750) 14.957 8.437 ( 5.188 12.233 -6.058) 14.604 8.494 ( 9.896 -1.553 3.642) 10.659 8.900 ( 3.507 -2.322 -2.358) 4.822 9.078 ( 12.843 -0.402 2.764) 13.143 9.110 ( 5.136 -2.673 1.450) 5.968 9.431 ( 0.818 2.176 -0.412) 2.361 9.592 ( 1.880 2.032 -1.579) 3.187 9.725 ( -2.427 1.450 -1.783) 3.343 9.842 ( -1.664 3.326 11.120) 11.725 10.340 ( 1.542 -5.233 7.023) 8.893 10.351 ( -0.967 -0.650 -0.886) 1.464 10.551 ( 1.884 0.383 0.709) 2.049 10.714 ( 14.890 -9.632 -2.518) 17.912 11.207 ( -1.686 -4.730 -5.061) 7.129 11.407 ( 8.323 -5.083 2.185) 9.994 11.462 ( 7.791 -4.820 -3.272) 9.728 11.653 ( 8.040 1.874 -7.304) 11.023 11.796 ( -1.314 -1.688 9.681) 9.915 12.213 ( -14.710 0.224 -1.892) 14.833 12.235 ( -9.844 2.492 1.363) 10.246 12.639 ( -3.456 0.791 2.675) 4.441 12.720 ( -6.028 4.969 -4.170) 8.855 14.411 ( -1.723 -6.514 -0.414) 6.750 14.535 ( -0.895 -2.874 1.461) 3.346 14.753 ( -1.388 -0.559 0.575) 1.604 14.943 ( -1.302 7.137 -0.447) 7.268 15.231 ( 6.801 0.291 -2.240) 7.167 15.531 ( -1.139 3.109 0.885) 3.427 15.700 ( -7.227 -9.445 1.143) 11.948 16.368 ( 1.003 -6.510 -1.528) 6.762 16.550 ( 4.443 -7.685 -0.570) 8.895 17.038 ( 9.835 4.144 -11.571) 15.741 17.423 ( -6.197 4.557 2.269) 8.020 18.010 ( -2.297 7.513 2.318) 8.191 18.122 ( 1.451 4.900 -1.208) 5.251 18.704 ( -14.523 -3.589 9.928) 17.954 19.374 ( -2.136 -1.842 1.857) 3.377 19.612 ( 8.189 5.259 -3.175) 10.237 20.441 ( -0.176 -0.881 10.023) 10.063 20.689 ( -3.433 -1.609 -7.275) 8.204 21.374 ( -1.187 -1.888 -3.816) 4.420 21.529 ( -1.692 5.565 0.473) 5.835 21.733 ( 2.692 3.860 2.302) 5.239 22.216 ( -0.981 -2.315 2.911) 3.847 22.328 ( 2.948 11.118 -0.584) 11.517 22.461 ( 3.431 -0.779 -0.956) 3.646 ======================= Grid point 184 (81/117) ======================= q-point: (-0.30 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( -8.512 0.000 14.188) 16.546 1.441 ( -25.109 0.000 5.273) 25.657 1.927 ( -3.631 0.000 -8.135) 8.908 1.931 ( -9.228 0.000 -16.277) 18.711 1.991 ( -23.180 0.000 13.413) 26.781 2.535 ( -1.863 0.000 11.561) 11.710 2.661 ( -7.406 0.000 -4.169) 8.499 2.776 ( -3.100 0.000 -0.688) 3.175 3.041 ( 10.985 -0.000 -0.600) 11.001 3.246 ( 10.516 -0.000 3.681) 11.142 3.521 ( 1.992 -0.000 -9.218) 9.431 3.541 ( -2.521 0.000 -0.955) 2.696 3.668 ( -1.631 0.000 -7.011) 7.198 3.732 ( -2.464 0.000 11.604) 11.863 4.305 ( -9.808 0.000 -7.167) 12.148 4.508 ( -2.803 0.000 3.234) 4.280 4.547 ( 9.816 -0.000 -19.702) 22.012 4.808 ( -5.492 0.000 19.260) 20.028 5.301 ( -2.621 0.000 1.810) 3.185 5.366 ( 5.877 -0.000 -3.925) 7.068 5.604 ( -14.147 0.000 -1.712) 14.251 5.829 ( -7.458 0.000 2.613) 7.902 5.904 ( -2.616 0.000 -12.362) 12.636 6.029 ( -4.677 0.000 4.484) 6.480 6.575 ( 6.537 -0.000 -5.818) 8.752 6.808 ( 2.626 -0.000 -2.947) 3.947 6.856 ( -0.707 0.000 -1.332) 1.508 7.330 ( -17.087 0.000 4.287) 17.617 7.535 ( -1.561 0.000 5.306) 5.531 7.691 ( 6.205 -0.000 -14.492) 15.765 7.730 ( 10.269 -0.000 -1.196) 10.339 7.852 ( 1.113 -0.000 12.054) 12.106 8.307 ( 17.427 -0.000 -2.854) 17.660 8.599 ( 19.444 -0.000 8.989) 21.421 8.693 ( 10.789 -0.000 5.672) 12.189 9.065 ( 7.411 -0.000 6.306) 9.731 9.109 ( 1.898 -0.000 -3.733) 4.188 9.505 ( 0.756 -0.000 -0.414) 0.862 9.553 ( 16.160 -0.000 -5.919) 17.210 9.643 ( 0.942 -0.000 2.134) 2.333 9.849 ( 8.891 -0.000 2.043) 9.122 10.100 ( 6.203 -0.000 9.701) 11.515 10.173 ( 1.004 -0.000 -7.923) 7.987 10.363 ( 2.734 -0.000 -7.883) 8.344 10.710 ( 0.265 -0.000 8.710) 8.714 10.864 ( 8.514 -0.000 -5.489) 10.130 11.071 ( -4.662 0.000 -3.787) 6.006 11.199 ( 2.523 -0.000 -2.490) 3.545 11.707 ( 8.789 -0.000 -3.121) 9.326 11.785 ( 9.613 -0.000 -0.911) 9.656 12.289 ( -11.009 0.000 -2.172) 11.221 12.308 ( -9.093 0.000 3.994) 9.931 12.837 ( -1.052 0.000 11.123) 11.173 13.054 ( -7.912 0.000 -10.115) 12.842 14.063 ( 4.448 -0.000 0.535) 4.480 14.325 ( 5.216 -0.000 -11.152) 12.312 14.801 ( -3.467 0.000 16.186) 16.553 15.145 ( -3.577 0.000 0.424) 3.602 15.376 ( -0.366 0.000 -2.381) 2.409 15.636 ( 1.537 -0.000 3.621) 3.934 15.688 ( -3.034 0.000 -3.722) 4.802 15.870 ( 0.849 -0.000 1.344) 1.590 16.144 ( 0.526 -0.000 -2.360) 2.418 16.967 ( 19.895 -0.000 -27.646) 34.060 18.194 ( -2.482 0.000 1.247) 2.778 18.213 ( 0.336 -0.000 0.421) 0.539 18.518 ( -10.433 0.000 1.707) 10.572 18.561 ( -1.634 0.000 10.753) 10.876 19.534 ( -6.043 0.000 -5.631) 8.260 19.611 ( 15.138 -0.000 40.105) 42.867 20.388 ( 0.119 -0.000 12.112) 12.112 20.840 ( -10.726 0.000 -37.834) 39.325 21.350 ( -1.231 0.000 -2.745) 3.008 21.815 ( 8.752 -0.000 -3.327) 9.363 21.859 ( -6.196 0.000 10.698) 12.362 22.144 ( -3.620 0.000 -1.286) 3.841 22.148 ( -2.772 0.000 2.450) 3.700 22.758 ( 10.032 -0.000 4.928) 11.177 ======================= Grid point 185 (82/117) ======================= q-point: (-0.20 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -7.001 -20.563 7.603) 23.014 1.289 ( -24.612 -3.738 4.211) 25.248 1.713 ( -22.234 3.991 15.351) 27.312 1.912 ( -7.337 -7.144 -14.604) 17.836 2.047 ( -7.463 -10.817 -6.281) 14.566 2.526 ( -4.318 -0.681 7.568) 8.740 2.590 ( -10.738 -3.147 -1.047) 11.239 2.846 ( 1.446 -6.564 -1.188) 6.825 3.116 ( 8.856 0.617 -0.062) 8.878 3.320 ( 6.268 1.600 1.522) 6.645 3.418 ( -0.585 5.376 -6.574) 8.513 3.556 ( 0.676 -0.060 -3.003) 3.079 3.681 ( 0.755 -1.920 -5.353) 5.736 3.760 ( -1.567 -3.359 11.406) 11.993 4.186 ( -11.208 2.296 -6.291) 13.056 4.469 ( -3.687 0.761 0.260) 3.773 4.582 ( 9.803 2.134 -15.901) 18.802 4.804 ( -4.343 -1.064 18.381) 18.917 5.289 ( -2.259 -0.717 1.509) 2.809 5.399 ( 2.781 0.245 -2.077) 3.480 5.484 ( -9.473 1.777 -3.123) 10.131 5.799 ( -9.513 -2.311 2.723) 10.161 5.880 ( -1.244 -0.072 -9.499) 9.580 6.001 ( -4.282 -0.951 -1.236) 4.557 6.576 ( 2.124 2.312 -6.094) 6.855 6.788 ( -4.440 -0.020 -1.442) 4.668 6.865 ( 0.960 1.248 2.293) 2.781 7.309 ( -8.653 -6.977 1.661) 11.238 7.430 ( -1.733 6.645 -0.622) 6.895 7.705 ( 11.890 4.852 -2.883) 13.161 7.739 ( 1.175 4.257 2.345) 5.001 7.940 ( 8.857 -2.601 1.246) 9.315 8.405 ( 9.801 0.321 0.352) 9.812 8.690 ( 12.922 3.549 6.358) 14.832 8.887 ( 16.810 -3.311 0.309) 17.136 9.045 ( 3.612 3.442 7.496) 9.004 9.159 ( 10.674 1.265 -0.044) 10.749 9.543 ( -0.237 -3.565 -2.957) 4.638 9.554 ( 6.143 5.545 -2.597) 8.674 9.732 ( 5.071 -2.337 -1.731) 5.846 9.934 ( 9.805 0.505 3.944) 10.581 10.155 ( 4.387 -0.832 5.432) 7.032 10.254 ( 6.869 -6.034 -5.551) 10.696 10.421 ( 4.486 -3.071 -3.908) 6.695 10.681 ( 0.222 3.111 6.590) 7.290 10.951 ( -1.549 -5.518 -6.071) 8.349 11.118 ( 10.936 -4.616 -0.535) 11.882 11.274 ( 3.535 -4.900 -1.981) 6.358 11.755 ( 4.397 1.842 4.066) 6.265 11.820 ( 8.914 2.592 -5.839) 10.967 12.160 ( -13.560 0.188 0.210) 13.563 12.307 ( -7.649 -2.942 2.746) 8.643 12.769 ( -4.517 6.096 9.616) 12.249 12.935 ( -8.037 4.056 -9.613) 13.171 14.145 ( 3.406 -4.639 0.831) 5.814 14.400 ( 3.914 -4.097 -7.293) 9.235 14.754 ( -2.282 2.857 9.964) 10.614 15.192 ( -0.073 -3.650 -1.635) 4.000 15.284 ( 0.203 5.941 -2.627) 6.499 15.541 ( -1.865 5.755 -0.658) 6.086 15.687 ( -2.733 0.866 1.243) 3.125 16.021 ( 4.596 -10.938 1.621) 11.975 16.202 ( 0.900 -6.046 -3.515) 7.051 17.101 ( 21.191 0.001 -25.609) 33.239 17.994 ( -13.187 17.111 7.521) 22.875 18.224 ( -0.392 0.998 0.953) 1.434 18.306 ( -4.174 7.903 6.225) 10.891 18.597 ( -8.748 -2.393 4.876) 10.297 19.404 ( -6.014 5.203 2.882) 8.459 19.765 ( 11.217 2.444 14.871) 18.786 20.408 ( -0.038 -0.627 12.593) 12.609 20.678 ( -10.598 1.171 -24.130) 26.381 21.338 ( -0.268 0.356 -2.069) 2.116 21.758 ( -3.249 5.302 5.634) 8.391 21.868 ( 5.300 2.129 -0.345) 5.722 22.121 ( -1.520 -1.864 4.153) 4.799 22.260 ( 0.678 -9.023 -2.207) 9.313 22.766 ( 7.956 7.487 4.287) 11.736 ======================= Grid point 186 (83/117) ======================= q-point: (-0.10 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -22.199 -3.647 8.977) 24.222 1.394 ( -10.680 -11.361 4.625) 16.264 1.658 ( -6.889 -9.826 9.647) 15.397 2.013 ( -6.895 -9.368 -13.589) 17.888 2.200 ( -6.545 -11.153 -3.793) 13.477 2.505 ( -10.234 -5.295 -2.731) 11.842 2.669 ( -0.983 -7.820 4.986) 9.326 3.025 ( -0.207 -10.868 0.238) 10.872 3.143 ( 4.997 2.558 -4.099) 6.950 3.249 ( -1.774 3.453 3.141) 4.993 3.377 ( 3.341 1.816 -7.199) 8.142 3.547 ( 2.752 2.008 0.145) 3.410 3.702 ( -1.007 0.986 -3.367) 3.650 3.855 ( -2.336 -6.964 5.224) 9.014 4.087 ( -6.323 -1.768 1.266) 6.686 4.435 ( -1.438 0.629 -0.625) 1.690 4.588 ( 6.015 2.148 -8.501) 10.633 4.819 ( -1.784 -0.662 14.932) 15.053 5.287 ( -2.386 -0.425 0.624) 2.503 5.373 ( -11.388 -1.659 2.216) 11.720 5.433 ( 5.434 0.378 -8.623) 10.199 5.732 ( -10.531 0.802 -1.166) 10.626 5.829 ( -5.694 2.271 2.845) 6.758 6.027 ( -0.340 -4.190 -10.966) 11.744 6.558 ( -3.506 -1.754 -1.184) 4.095 6.743 ( -0.602 2.229 -2.889) 3.698 6.853 ( -2.549 -1.606 5.390) 6.175 7.190 ( -3.459 9.819 5.114) 11.599 7.472 ( 1.076 -3.845 -3.607) 5.381 7.568 ( 0.948 11.327 8.370) 14.116 7.708 ( 4.438 3.057 -4.648) 7.116 8.056 ( 12.927 0.080 -5.642) 14.105 8.512 ( 7.848 -3.853 4.073) 9.645 8.652 ( 2.199 7.678 0.570) 8.007 8.973 ( 12.777 3.376 -6.406) 14.687 9.080 ( 2.721 -1.205 7.413) 7.988 9.247 ( 16.282 1.646 5.325) 17.210 9.492 ( 4.077 3.959 -2.321) 6.139 9.615 ( 4.289 -2.350 -6.554) 8.178 9.740 ( -3.634 2.426 1.124) 4.512 9.951 ( 6.210 5.025 4.157) 9.005 10.241 ( 2.191 -5.132 2.609) 6.160 10.356 ( -0.106 0.134 5.239) 5.242 10.576 ( 7.722 -2.480 -3.753) 8.936 10.671 ( 7.941 -4.412 2.918) 9.542 11.049 ( -3.525 -8.090 -5.343) 10.316 11.372 ( 11.398 -7.272 0.706) 13.539 11.424 ( 11.058 -6.539 -2.244) 13.041 11.703 ( -2.963 3.225 3.292) 5.479 11.829 ( 2.836 2.100 0.740) 3.606 12.098 ( -8.764 -2.425 -1.113) 9.161 12.222 ( -10.874 4.785 4.294) 12.632 12.622 ( -6.817 2.444 4.159) 8.351 12.767 ( -7.301 5.661 -7.304) 11.777 14.274 ( 0.617 -6.516 0.739) 6.587 14.481 ( 0.233 -2.578 -0.392) 2.618 14.733 ( 1.014 -0.561 1.562) 1.944 15.078 ( -2.081 8.284 -1.621) 8.694 15.318 ( 8.949 1.370 -4.119) 9.947 15.492 ( -4.689 -5.569 -0.646) 7.309 15.594 ( -4.080 4.955 2.705) 6.965 16.248 ( 3.092 -7.506 -3.132) 8.701 16.393 ( 4.025 -11.742 -0.101) 12.413 17.190 ( 7.287 5.763 -9.611) 13.368 17.525 ( -6.425 11.570 -1.234) 13.292 18.132 ( -3.443 7.037 3.986) 8.790 18.204 ( -0.152 3.286 0.455) 3.321 18.540 ( -15.375 -2.009 7.007) 17.016 19.314 ( -6.627 -0.945 4.270) 7.940 19.748 ( 3.840 4.045 -6.833) 8.820 20.438 ( 0.280 -0.786 12.400) 12.428 20.624 ( -2.025 -1.501 -3.861) 4.611 21.334 ( -0.346 -0.667 -2.765) 2.865 21.626 ( -2.996 6.088 3.412) 7.594 21.844 ( 4.606 4.136 0.822) 6.244 22.167 ( -0.086 -2.599 2.944) 3.928 22.415 ( 2.664 -4.035 -1.392) 5.032 22.618 ( 4.425 12.451 1.248) 13.273 ======================= Grid point 195 (84/117) ======================= q-point: (-0.20 -0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( -11.703 0.000 15.402) 19.343 1.047 ( -26.147 0.000 10.017) 28.000 1.578 ( -31.896 0.000 23.043) 39.349 1.760 ( -6.753 0.000 -18.706) 19.888 1.903 ( 4.146 -0.000 -16.993) 17.492 2.419 ( -16.911 0.000 -4.116) 17.405 2.520 ( -3.879 0.000 14.336) 14.851 2.807 ( 4.155 -0.000 -3.935) 5.723 3.186 ( 6.993 -0.000 1.085) 7.076 3.412 ( 8.875 -0.000 0.148) 8.876 3.468 ( -6.502 0.000 2.326) 6.905 3.531 ( 2.364 -0.000 -9.265) 9.562 3.666 ( 2.517 -0.000 -4.795) 5.415 3.731 ( -1.125 0.000 10.994) 11.051 4.109 ( -11.784 0.000 -9.058) 14.863 4.414 ( -8.535 0.000 2.231) 8.821 4.670 ( 10.830 -0.000 -22.701) 25.152 4.786 ( -3.193 0.000 17.421) 17.711 5.263 ( -2.558 0.000 1.691) 3.067 5.372 ( -8.159 0.000 2.153) 8.438 5.498 ( 3.935 -0.000 -0.365) 3.952 5.711 ( -7.287 0.000 2.124) 7.591 5.851 ( 0.461 -0.000 -18.044) 18.050 5.964 ( -5.134 0.000 3.743) 6.354 6.661 ( 5.212 -0.000 -6.648) 8.448 6.731 ( -5.851 0.000 -2.640) 6.419 6.910 ( 2.819 -0.000 -2.642) 3.863 7.083 ( -13.380 0.000 1.051) 13.422 7.539 ( -1.174 0.000 9.951) 10.020 7.686 ( 0.726 -0.000 -12.661) 12.681 7.950 ( 8.161 -0.000 9.225) 12.317 7.955 ( 14.746 -0.000 -1.215) 14.796 8.478 ( 5.362 -0.000 0.655) 5.402 8.851 ( 6.029 -0.000 8.302) 10.260 8.988 ( 17.673 -0.000 2.046) 17.791 9.181 ( 9.470 -0.000 5.664) 11.035 9.201 ( 13.180 -0.000 1.464) 13.261 9.494 ( -1.279 0.000 -1.328) 1.844 9.677 ( 3.558 -0.000 -2.951) 4.622 9.746 ( 7.354 -0.000 -2.644) 7.815 10.040 ( 13.840 -0.000 2.548) 14.073 10.207 ( 4.311 -0.000 -9.909) 10.806 10.238 ( 8.086 -0.000 9.275) 12.305 10.405 ( 5.907 -0.000 -5.040) 7.765 10.733 ( 0.359 -0.000 6.920) 6.929 10.851 ( -6.077 0.000 -8.814) 10.706 11.167 ( 14.147 -0.000 1.348) 14.211 11.264 ( 7.097 -0.000 -0.593) 7.122 11.849 ( -3.834 0.000 1.124) 3.996 11.852 ( 9.555 -0.000 -1.424) 9.661 12.078 ( -13.994 0.000 -2.331) 14.187 12.217 ( -1.806 0.000 4.368) 4.727 12.830 ( -2.977 0.000 9.942) 10.378 12.897 ( -7.772 0.000 -10.308) 12.910 14.146 ( 5.664 -0.000 0.406) 5.679 14.383 ( 5.208 -0.000 -9.595) 10.917 14.811 ( 0.231 -0.000 15.153) 15.154 15.105 ( -0.193 0.000 -6.168) 6.171 15.348 ( -2.654 0.000 -1.130) 2.885 15.627 ( -3.368 0.000 -4.708) 5.789 15.719 ( 9.553 -0.000 -0.598) 9.572 15.887 ( 0.543 -0.000 3.160) 3.206 16.143 ( 0.099 -0.000 -2.803) 2.805 17.244 ( 22.280 -0.000 -24.898) 33.411 18.103 ( -12.341 0.000 5.365) 13.457 18.218 ( 0.319 -0.000 0.121) 0.341 18.351 ( -8.787 0.000 1.728) 8.955 18.530 ( -5.559 0.000 2.849) 6.247 19.439 ( -3.965 0.000 -7.320) 8.325 19.908 ( 0.200 -0.000 -5.714) 5.718 20.411 ( -0.945 0.000 12.829) 12.864 20.597 ( -0.161 0.000 -0.489) 0.515 21.376 ( 6.059 -0.000 6.841) 9.138 21.807 ( -3.135 0.000 11.143) 11.575 21.935 ( 7.204 -0.000 -3.803) 8.146 22.086 ( -3.303 0.000 -0.948) 3.436 22.111 ( -2.443 0.000 2.920) 3.807 22.908 ( 6.560 -0.000 6.224) 9.043 ======================= Grid point 196 (85/117) ======================= q-point: (-0.10 -0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -23.595 -4.773 11.614) 26.728 1.013 ( -10.802 -20.767 10.221) 25.542 1.391 ( -22.387 -6.450 25.116) 34.258 1.780 ( -4.406 -7.969 -17.628) 19.841 1.971 ( -0.276 -5.943 -17.535) 18.517 2.327 ( -11.241 -3.488 -5.043) 12.805 2.541 ( -3.213 -4.337 13.113) 14.181 2.883 ( 2.932 -4.979 -2.798) 6.420 3.222 ( 4.154 1.514 -0.651) 4.468 3.333 ( -3.455 6.207 4.264) 8.285 3.439 ( 2.733 2.566 -7.769) 8.626 3.575 ( 3.298 -1.378 -1.764) 3.986 3.698 ( 1.369 -0.946 -3.682) 4.041 3.754 ( -2.649 -2.279 6.559) 7.432 4.006 ( -7.963 -0.435 -1.855) 8.188 4.377 ( -7.089 -2.344 1.411) 7.599 4.674 ( 4.240 3.553 -10.957) 12.275 4.812 ( 0.928 -2.124 8.782) 9.083 5.256 ( -2.203 -1.031 0.782) 2.555 5.299 ( -7.378 1.091 2.006) 7.723 5.498 ( 4.218 2.829 -1.167) 5.211 5.667 ( -7.107 -0.097 0.708) 7.143 5.842 ( -1.915 1.483 -5.995) 6.465 5.929 ( -2.731 -2.413 -7.701) 8.520 6.550 ( -4.382 5.106 -0.955) 6.796 6.749 ( -0.370 -1.362 -4.511) 4.726 6.835 ( -3.814 2.437 6.190) 7.668 7.221 ( -2.313 -10.866 -5.378) 12.343 7.414 ( -1.309 6.992 3.984) 8.153 7.695 ( -3.186 2.247 -3.120) 4.993 7.915 ( 11.316 8.554 1.949) 14.319 8.122 ( 12.651 -2.162 -1.736) 12.952 8.513 ( 4.854 -1.288 3.790) 6.291 8.799 ( -0.852 6.513 5.447) 8.533 9.085 ( 1.469 -0.924 7.870) 8.059 9.190 ( 16.037 6.275 -1.236) 17.266 9.389 ( 13.375 0.659 3.025) 13.728 9.516 ( -1.635 -3.224 -5.766) 6.805 9.678 ( 12.969 2.144 -3.040) 13.492 9.767 ( -0.613 1.968 0.977) 2.282 10.112 ( 11.156 3.674 0.652) 11.764 10.213 ( 2.724 -0.148 -2.034) 3.403 10.356 ( 5.845 -2.758 4.119) 7.664 10.547 ( 10.630 -7.285 -4.615) 13.689 10.685 ( -1.709 2.675 5.451) 6.308 10.870 ( -3.748 -6.091 -5.428) 8.978 11.334 ( 10.212 -4.801 1.667) 11.407 11.399 ( 14.167 -6.073 -0.511) 15.423 11.751 ( -8.002 4.065 6.745) 11.227 11.866 ( -7.710 3.554 -4.872) 9.788 12.006 ( 1.754 -2.802 0.757) 3.391 12.232 ( -2.344 0.633 2.887) 3.772 12.678 ( -10.064 10.119 9.727) 17.271 12.800 ( -5.041 3.996 -8.932) 11.007 14.204 ( 3.495 -2.143 1.557) 4.385 14.443 ( 3.224 -2.256 -5.230) 6.546 14.776 ( 3.161 3.230 5.773) 7.331 15.189 ( -0.064 1.122 -2.797) 3.014 15.274 ( -0.377 -2.916 -2.615) 3.935 15.548 ( 2.391 6.432 -4.201) 8.046 15.664 ( 1.427 5.546 0.146) 5.729 16.119 ( 7.406 -11.036 -1.240) 13.348 16.199 ( 0.331 -8.155 -2.537) 8.547 17.351 ( 8.461 5.940 -15.823) 18.900 17.743 ( -13.899 17.769 -0.079) 22.559 18.218 ( -1.204 2.625 1.413) 3.216 18.259 ( -3.498 4.309 1.709) 5.807 18.402 ( -18.782 1.480 1.619) 18.909 19.269 ( -13.118 5.408 0.040) 14.189 19.747 ( -14.429 -1.335 -29.385) 32.764 20.431 ( -1.369 -1.247 11.560) 11.707 20.678 ( 15.878 3.663 19.885) 25.709 21.378 ( 5.848 5.127 8.730) 11.692 21.717 ( -3.177 5.493 7.312) 9.681 21.952 ( 5.093 2.971 -1.380) 6.055 22.124 ( 0.418 -2.351 3.689) 4.394 22.298 ( 6.323 -12.325 -1.383) 13.921 22.867 ( 2.938 9.002 4.496) 10.482 ======================= Grid point 206 (86/117) ======================= q-point: (-0.10 -0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( -12.672 0.000 20.910) 24.450 0.687 ( -21.090 0.000 18.555) 28.090 1.162 ( -26.474 0.000 34.901) 43.806 1.641 ( -2.106 0.000 -20.386) 20.495 1.901 ( -2.443 0.000 -23.700) 23.825 2.231 ( -0.396 0.000 -8.056) 8.066 2.484 ( -4.879 0.000 16.170) 16.890 2.858 ( 2.778 -0.000 -3.701) 4.627 3.262 ( 1.866 -0.000 -0.416) 1.912 3.376 ( -5.112 0.000 8.572) 9.980 3.469 ( -0.810 0.000 -10.447) 10.478 3.580 ( 4.580 -0.000 -1.696) 4.884 3.695 ( 1.523 -0.000 -3.164) 3.511 3.721 ( -3.163 0.000 2.933) 4.314 3.944 ( -5.013 0.000 0.968) 5.106 4.288 ( -6.910 0.000 0.990) 6.980 4.749 ( -6.944 0.000 11.832) 13.719 4.765 ( 6.367 -0.000 -14.810) 16.121 5.234 ( -0.697 0.000 -1.311) 1.485 5.269 ( -4.378 0.000 3.223) 5.437 5.568 ( 3.094 -0.000 3.999) 5.056 5.618 ( -4.767 0.000 0.496) 4.793 5.841 ( 4.332 -0.000 -20.637) 21.087 5.877 ( -6.750 0.000 4.899) 8.340 6.627 ( -6.084 0.000 -5.519) 8.214 6.678 ( -2.585 0.000 0.388) 2.614 6.938 ( 1.757 -0.000 -0.317) 1.785 6.955 ( -1.188 0.000 -5.968) 6.085 7.521 ( -4.412 0.000 10.390) 11.288 7.668 ( 0.140 -0.000 -8.110) 8.111 8.134 ( 12.004 -0.000 2.284) 12.219 8.179 ( 13.969 -0.000 -5.081) 14.864 8.541 ( 2.508 -0.000 6.363) 6.839 8.850 ( -4.806 0.000 3.095) 5.716 9.061 ( -4.596 0.000 12.732) 13.536 9.447 ( 0.933 -0.000 -1.829) 2.053 9.457 ( 15.704 -0.000 -6.463) 16.981 9.495 ( 12.647 -0.000 2.284) 12.851 9.769 ( 10.692 -0.000 -5.787) 12.157 9.772 ( -3.578 0.000 0.182) 3.583 10.222 ( 1.932 -0.000 -8.793) 9.003 10.255 ( 10.077 -0.000 5.074) 11.282 10.382 ( 6.166 -0.000 4.687) 7.745 10.524 ( 7.350 -0.000 -0.911) 7.406 10.744 ( -2.574 0.000 -7.018) 7.476 10.750 ( -0.238 0.000 4.366) 4.373 11.370 ( 6.865 -0.000 5.705) 8.926 11.445 ( 15.748 -0.000 -1.822) 15.853 11.713 ( -10.153 0.000 2.971) 10.578 11.818 ( -11.479 0.000 -4.434) 12.306 12.031 ( 7.060 -0.000 1.967) 7.329 12.226 ( 0.100 -0.000 -0.010) 0.100 12.799 ( -1.358 0.000 -6.086) 6.236 12.801 ( -2.430 0.000 6.704) 7.131 14.231 ( 3.842 -0.000 2.135) 4.395 14.448 ( 5.574 -0.000 -7.849) 9.627 14.887 ( 5.536 -0.000 13.032) 14.159 15.126 ( 5.191 -0.000 -7.801) 9.370 15.293 ( -3.562 0.000 -0.993) 3.698 15.543 ( -6.997 0.000 -7.211) 10.048 15.898 ( -0.396 0.000 4.293) 4.312 15.976 ( 25.335 -0.000 -8.575) 26.747 16.135 ( -0.116 0.000 -3.318) 3.320 17.481 ( 3.568 -0.000 -28.156) 28.381 17.798 ( -26.960 0.000 11.899) 29.469 18.212 ( -12.812 0.000 -14.179) 19.110 18.252 ( -25.314 0.000 -12.839) 28.383 18.277 ( -1.940 0.000 -0.099) 1.943 19.272 ( -48.132 0.000 -35.945) 60.073 19.373 ( -2.113 0.000 -8.311) 8.576 20.418 ( -1.757 0.000 12.621) 12.743 20.936 ( 18.148 -0.000 1.849) 18.242 21.660 ( 11.026 -0.000 17.786) 20.926 21.953 ( 27.278 -0.000 21.451) 34.703 22.024 ( 5.062 -0.000 -3.781) 6.318 22.038 ( -2.261 0.000 -1.157) 2.540 22.129 ( 15.349 -0.000 18.666) 24.166 22.978 ( 0.051 -0.000 5.830) 5.830 ======================= Grid point 207 (87/117) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 0.742 -0.000 -11.057) 11.082 1.052 ( -0.742 0.000 11.057) 11.082 1.253 ( -5.562 0.000 -14.343) 15.384 1.253 ( 5.562 -0.000 14.343) 15.384 1.785 ( 7.640 -0.000 -31.579) 32.490 1.785 ( -7.640 0.000 31.579) 32.490 2.737 ( 3.957 -0.000 -10.148) 10.893 2.737 ( -3.957 0.000 10.148) 10.893 3.272 ( 0.053 -0.000 -2.412) 2.412 3.272 ( -0.053 0.000 2.412) 2.412 3.589 ( -1.324 0.000 -7.517) 7.633 3.589 ( 1.324 -0.000 7.517) 7.633 3.637 ( -1.788 0.000 -1.252) 2.183 3.637 ( 1.788 -0.000 1.252) 2.183 4.132 ( -3.966 0.000 -6.239) 7.393 4.132 ( 3.966 -0.000 6.239) 7.393 4.803 ( 22.221 -0.000 -10.604) 24.621 4.803 ( -22.221 0.000 10.604) 24.621 5.243 ( 4.736 -0.000 -7.179) 8.600 5.243 ( -4.736 0.000 7.179) 8.600 5.530 ( 7.320 -0.000 -3.652) 8.180 5.530 ( -7.320 0.000 3.652) 8.180 5.825 ( -1.975 0.000 -5.882) 6.205 5.825 ( 1.975 -0.000 5.882) 6.205 6.521 ( 6.918 -0.000 -9.143) 11.465 6.521 ( -6.918 0.000 9.143) 11.465 6.928 ( 1.756 -0.000 -3.284) 3.724 6.928 ( -1.756 0.000 3.284) 3.724 7.615 ( 6.109 -0.000 -4.404) 7.531 7.615 ( -6.109 0.000 4.404) 7.531 8.159 ( 4.216 -0.000 -1.996) 4.665 8.159 ( -4.216 0.000 1.996) 4.665 8.776 ( -5.684 0.000 -1.743) 5.946 8.776 ( 5.684 -0.000 1.743) 5.946 9.336 ( -0.850 0.000 -8.679) 8.721 9.336 ( 0.850 -0.000 8.679) 8.721 9.503 ( -1.467 0.000 -2.954) 3.298 9.503 ( 1.467 -0.000 2.954) 3.298 9.779 ( 12.130 -0.000 -8.512) 14.819 9.779 ( -12.130 0.000 8.512) 14.819 10.242 ( -11.068 0.000 -0.974) 11.111 10.242 ( 11.068 -0.000 0.974) 11.111 10.536 ( 3.119 -0.000 -6.244) 6.979 10.536 ( -3.119 0.000 6.244) 6.979 10.757 ( -12.323 0.000 3.716) 12.871 10.757 ( 12.323 -0.000 -3.716) 12.871 11.520 ( 8.149 -0.000 -6.953) 10.712 11.520 ( -8.149 0.000 6.953) 10.712 11.679 ( 4.932 -0.000 -3.589) 6.099 11.679 ( -4.932 0.000 3.589) 6.099 12.128 ( -0.943 0.000 -3.455) 3.581 12.128 ( 0.943 -0.000 3.455) 3.581 12.785 ( -8.280 0.000 2.272) 8.586 12.785 ( 8.280 -0.000 -2.272) 8.586 14.360 ( 1.955 -0.000 -6.080) 6.386 14.360 ( -1.955 0.000 6.080) 6.386 15.131 ( 10.511 -0.000 -4.424) 11.404 15.131 ( -10.511 0.000 4.424) 11.404 15.199 ( 6.886 -0.000 -2.999) 7.511 15.199 ( -6.886 0.000 2.999) 7.511 16.015 ( 1.802 -0.000 -6.215) 6.471 16.015 ( -1.802 0.000 6.215) 6.471 16.314 ( -47.244 0.000 5.213) 47.531 16.314 ( 47.244 -0.000 -5.213) 47.531 17.713 ( 24.178 -0.000 -15.668) 28.811 17.713 ( -24.178 0.000 15.668) 28.811 18.250 ( -0.482 0.000 -0.619) 0.784 18.250 ( 0.482 -0.000 0.619) 0.784 19.104 ( 1.129 -0.000 -10.984) 11.042 19.104 ( -1.129 0.000 10.984) 11.042 20.733 ( 3.599 -0.000 -15.718) 16.125 20.733 ( -3.599 0.000 15.718) 16.125 21.907 ( 1.237 -0.000 -7.455) 7.557 21.907 ( -1.237 0.000 7.455) 7.557 22.042 ( 1.108 -0.000 -0.388) 1.174 22.042 ( -1.108 0.000 0.388) 1.174 22.977 ( -17.487 0.000 2.190) 17.624 22.977 ( 17.487 -0.000 -2.190) 17.624 ======================= Grid point 209 (88/117) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -0.263 -1.730 -8.699) 8.873 1.175 ( 7.552 -5.827 6.039) 11.289 1.348 ( -2.356 -14.944 -4.331) 15.737 1.476 ( 10.854 -14.559 6.557) 19.307 1.834 ( 0.666 -5.930 9.707) 11.395 1.888 ( 9.896 -6.036 -12.853) 17.308 2.769 ( -3.287 -4.969 7.019) 9.207 2.796 ( 1.965 -4.638 -6.248) 8.025 3.223 ( -2.210 4.112 1.244) 4.832 3.253 ( 1.225 2.050 -0.011) 2.388 3.531 ( -0.868 3.515 -7.026) 7.904 3.567 ( 2.349 3.927 6.973) 8.340 3.646 ( -3.597 -2.494 -0.913) 4.471 3.693 ( 2.126 -3.549 1.047) 4.268 4.139 ( -1.604 -3.648 -6.634) 7.738 4.214 ( 6.330 -3.140 5.715) 9.088 4.642 ( -19.466 0.112 8.585) 21.275 4.950 ( 20.327 1.408 -12.888) 24.109 5.218 ( -5.172 -0.848 8.431) 9.927 5.273 ( 3.470 -0.390 -2.467) 4.275 5.501 ( -3.082 -0.680 2.724) 4.169 5.598 ( 7.767 0.614 -6.550) 10.179 5.738 ( -3.251 3.870 -2.353) 5.575 5.812 ( 4.566 3.066 2.759) 6.153 6.503 ( -6.731 -2.234 8.706) 11.229 6.588 ( 5.863 -1.620 -4.455) 7.540 6.960 ( -2.472 -3.399 -3.733) 5.621 7.027 ( 4.961 -6.945 2.422) 8.872 7.487 ( -6.438 7.249 4.753) 10.797 7.582 ( 5.595 6.226 -0.608) 8.392 8.082 ( -7.048 3.796 3.346) 8.676 8.153 ( 3.389 2.872 -6.753) 8.083 8.738 ( -7.241 -0.717 -1.387) 7.407 8.830 ( 3.738 0.222 -0.516) 3.780 9.196 ( -9.427 8.032 8.707) 15.139 9.279 ( 3.499 4.818 -3.054) 6.691 9.470 ( 0.035 1.976 -4.786) 5.178 9.474 ( -0.421 2.681 2.783) 3.887 9.737 ( -12.292 -2.162 11.296) 16.834 9.886 ( 7.414 -1.551 -9.088) 11.830 10.173 ( -13.958 -2.443 -2.091) 14.324 10.344 ( 2.090 -2.609 1.423) 3.633 10.433 ( -7.992 4.135 4.064) 9.874 10.546 ( 1.870 -0.654 -1.748) 2.641 10.752 ( -8.186 -7.803 2.820) 11.655 10.844 ( 3.881 -1.532 -3.269) 5.301 11.479 ( -12.085 -2.982 4.324) 13.177 11.545 ( -0.764 0.005 -1.053) 1.301 11.623 ( 1.886 4.584 3.863) 6.284 11.742 ( 10.495 -1.362 -5.149) 11.769 12.131 ( -5.677 -2.579 -1.422) 6.396 12.188 ( 2.142 -3.896 1.818) 4.803 12.595 ( -7.189 9.590 9.448) 15.261 12.713 ( 9.867 11.696 -6.716) 16.711 14.313 ( -6.667 -0.683 1.409) 6.849 14.407 ( 4.479 -2.597 -3.266) 6.122 14.893 ( -12.394 4.257 2.087) 13.270 15.069 ( 8.132 7.495 2.519) 11.343 15.324 ( -8.930 -12.896 -1.808) 15.790 15.439 ( 3.489 -3.057 3.926) 6.077 15.738 ( -9.885 9.252 0.512) 13.549 15.949 ( 9.681 4.183 4.000) 11.279 16.343 ( -13.894 -15.651 -0.462) 20.933 16.774 ( 35.600 -3.533 3.516) 35.947 17.546 ( -21.142 1.213 14.101) 25.442 17.956 ( 28.434 -4.338 -9.830) 30.397 18.235 ( -1.019 0.741 0.324) 1.301 18.260 ( 2.705 0.034 -0.630) 2.777 19.158 ( -0.337 -4.836 3.481) 5.968 19.180 ( 3.214 -6.218 0.442) 7.014 20.720 ( -3.813 0.197 14.104) 14.612 20.742 ( 3.311 0.052 -15.384) 15.736 21.763 ( -2.696 10.236 0.318) 10.590 21.800 ( 2.575 9.710 -2.155) 10.274 22.064 ( -5.488 -2.262 -0.440) 5.952 22.136 ( 3.842 -3.941 -0.691) 5.547 22.680 ( -19.212 10.512 -4.816) 22.423 22.910 ( 7.768 14.993 -0.627) 16.897 ======================= Grid point 210 (89/117) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( -0.435 -7.266 1.745) 7.486 1.367 ( 11.013 -6.088 -2.052) 12.750 1.636 ( 0.234 -13.040 2.718) 13.323 1.825 ( 9.259 -11.710 -4.896) 15.711 2.078 ( 8.508 -13.662 -8.215) 18.070 2.125 ( 8.276 -10.898 7.224) 15.474 2.849 ( -3.971 -5.593 -0.882) 6.915 2.947 ( 1.678 -9.386 2.488) 9.854 3.103 ( -2.849 5.601 1.282) 6.413 3.234 ( 0.981 0.599 -0.097) 1.154 3.450 ( -1.359 2.321 -6.857) 7.365 3.505 ( 3.630 5.483 6.614) 9.327 3.665 ( -4.269 -2.735 -0.990) 5.166 3.803 ( 3.093 -5.416 0.965) 6.311 4.220 ( 0.076 -5.752 -6.584) 8.744 4.328 ( 4.326 -2.509 4.961) 7.044 4.528 ( -11.971 -0.701 7.045) 13.908 5.033 ( 15.908 3.621 -12.491) 20.547 5.221 ( -3.804 -2.505 5.903) 7.456 5.311 ( 4.795 -0.736 0.192) 4.855 5.472 ( -5.946 3.792 -0.900) 7.110 5.530 ( 1.516 1.733 0.559) 2.370 5.785 ( 5.759 -4.352 1.165) 7.312 5.827 ( 7.777 -0.030 -3.514) 8.534 6.522 ( -5.139 -4.134 6.245) 9.083 6.649 ( 4.296 -0.821 -1.513) 4.628 6.932 ( -4.426 4.064 -3.536) 6.972 7.178 ( 7.785 2.056 3.517) 8.787 7.346 ( -5.159 -1.298 7.478) 9.177 7.558 ( 7.679 0.239 -1.660) 7.860 7.904 ( -10.801 7.860 1.836) 13.484 8.089 ( 1.827 5.330 -7.926) 9.724 8.624 ( -7.529 8.243 3.825) 11.800 8.776 ( 0.285 5.509 -4.170) 6.915 9.022 ( -12.734 -0.219 5.024) 13.691 9.272 ( -0.420 -0.969 -0.180) 1.071 9.394 ( 0.384 3.529 0.566) 3.595 9.450 ( 1.513 1.278 -2.239) 2.989 9.633 ( -12.302 3.822 8.856) 15.633 9.896 ( 3.456 3.422 -6.786) 8.349 10.065 ( -15.583 1.375 -2.871) 15.905 10.260 ( -9.898 0.107 5.616) 11.380 10.468 ( 3.426 -2.751 0.143) 4.396 10.592 ( 2.558 -1.992 -0.853) 3.352 10.823 ( -7.777 -1.630 1.760) 8.138 10.904 ( -4.645 -8.554 2.960) 10.174 11.450 ( -8.745 -3.805 4.473) 10.533 11.536 ( 6.046 4.976 3.384) 8.531 11.593 ( -0.711 -2.338 -1.100) 2.680 11.854 ( 8.476 -2.555 -2.294) 9.145 12.126 ( -9.947 -3.529 -0.835) 10.587 12.261 ( 2.096 -0.426 -6.517) 6.859 12.460 ( 4.249 3.998 7.833) 9.767 12.598 ( 10.965 6.200 -4.779) 13.472 14.325 ( -2.439 -3.973 -0.747) 4.722 14.490 ( 6.334 -1.332 -4.128) 7.677 14.784 ( -7.039 -0.127 0.491) 7.057 14.988 ( 4.116 6.450 2.344) 8.002 15.334 ( -5.579 5.866 4.842) 9.433 15.511 ( 1.198 -9.175 -5.967) 11.010 15.622 ( -4.493 0.632 -1.329) 4.727 16.075 ( 7.851 -6.762 5.096) 11.547 16.523 ( -6.849 -11.159 -1.259) 13.153 16.951 ( 3.153 0.852 9.900) 10.425 17.394 ( -6.884 2.827 6.430) 9.835 18.096 ( 9.326 6.130 -2.833) 11.514 18.214 ( 0.044 2.305 0.130) 2.310 18.400 ( 18.293 -7.133 -5.575) 20.411 19.257 ( -2.477 -5.294 8.384) 10.220 19.357 ( 6.043 -6.685 1.472) 9.131 20.689 ( -4.853 1.145 9.963) 11.141 20.747 ( 2.560 0.049 -14.105) 14.335 21.526 ( -3.358 9.900 -6.370) 12.242 21.626 ( 2.478 9.912 0.027) 10.217 21.987 ( -8.932 3.880 -1.744) 9.894 22.205 ( 3.802 -0.224 -1.882) 4.248 22.453 ( -5.968 1.546 -0.285) 6.172 22.635 ( 1.178 15.478 1.939) 15.643 ======================= Grid point 211 (90/117) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -0.631 -12.609 9.786) 15.973 1.574 ( 8.450 -8.359 -9.282) 15.080 1.825 ( 2.849 -5.535 4.222) 7.522 2.104 ( 10.522 -10.322 -13.421) 19.935 2.334 ( 5.834 -7.454 -4.592) 10.520 2.395 ( 4.928 -8.617 11.737) 15.372 2.904 ( -4.117 -2.855 0.173) 5.013 3.020 ( 0.004 -0.177 -0.319) 0.365 3.125 ( 0.666 -5.122 3.373) 6.168 3.227 ( -3.916 -0.119 2.489) 4.641 3.427 ( 4.983 2.669 -0.402) 5.667 3.477 ( 2.206 -3.266 -3.559) 5.311 3.673 ( -2.452 -1.130 -2.606) 3.752 3.924 ( 2.750 -3.447 2.858) 5.255 4.270 ( -5.168 -0.688 -0.291) 5.221 4.406 ( -1.685 -3.680 -1.735) 4.403 4.495 ( 0.802 -0.515 4.653) 4.749 5.043 ( 11.522 4.167 -10.688) 16.259 5.264 ( -4.268 -4.290 4.588) 7.594 5.355 ( -0.756 1.548 1.372) 2.202 5.427 ( 2.590 -6.486 1.600) 7.165 5.561 ( 6.579 -0.407 1.210) 6.702 5.898 ( 3.874 -2.063 2.588) 5.095 5.930 ( 7.785 -4.470 -7.399) 11.633 6.598 ( -2.430 -5.950 4.295) 7.731 6.659 ( 3.152 4.138 -3.026) 6.018 6.779 ( -3.716 5.538 3.162) 7.380 7.124 ( 4.228 2.957 1.459) 5.362 7.431 ( 0.351 -3.283 7.503) 8.197 7.601 ( -5.598 11.080 -6.520) 14.022 7.669 ( -0.048 -0.660 -1.638) 1.766 7.974 ( -1.668 4.015 -2.962) 5.261 8.346 ( -7.623 13.219 3.833) 15.733 8.668 ( 0.064 5.398 2.383) 5.901 8.991 ( -10.080 -3.989 -0.569) 10.856 9.176 ( -9.975 4.136 -1.742) 10.938 9.398 ( -4.404 -0.576 6.710) 8.046 9.429 ( -1.573 1.030 -4.661) 5.026 9.510 ( -1.687 0.485 4.994) 5.294 9.801 ( -1.737 8.563 -8.487) 12.181 9.940 ( -0.209 0.667 0.547) 0.887 10.243 ( -7.287 -3.670 8.410) 11.718 10.541 ( 2.885 -2.015 -4.618) 5.806 10.649 ( 2.782 -2.626 -6.821) 7.821 10.763 ( -9.005 -0.204 11.273) 14.429 11.033 ( -3.168 -6.321 2.577) 7.525 11.439 ( -3.640 1.358 1.888) 4.320 11.553 ( 1.776 -2.968 5.635) 6.612 11.632 ( -0.128 -1.727 -3.952) 4.315 11.957 ( 7.690 -1.333 -2.515) 8.200 12.087 ( -7.933 -0.137 -3.293) 8.591 12.242 ( 3.907 1.520 -8.847) 9.790 12.496 ( 5.196 -0.818 5.996) 7.977 12.621 ( 5.662 -0.457 -1.444) 5.861 14.402 ( 0.542 -4.558 -1.017) 4.701 14.544 ( 4.646 -0.493 -2.502) 5.299 14.762 ( -2.686 -0.849 -0.631) 2.887 14.898 ( 2.568 5.802 1.371) 6.492 15.240 ( -3.461 0.531 3.622) 5.038 15.544 ( 3.431 3.665 -2.932) 5.814 15.737 ( -4.469 -13.171 -4.367) 14.578 16.273 ( 4.307 -7.912 2.925) 9.471 16.637 ( -3.667 -4.753 -0.184) 6.006 16.879 ( -17.024 -0.099 14.665) 22.470 17.364 ( 9.017 2.236 -2.716) 9.679 17.999 ( 3.377 7.754 -1.005) 8.517 18.136 ( -2.228 4.837 0.978) 5.414 18.678 ( 18.278 -6.976 -9.563) 21.776 19.321 ( -5.254 -3.083 10.774) 12.377 19.480 ( 3.844 -1.258 1.268) 4.239 20.629 ( -4.933 1.400 4.605) 6.892 20.750 ( 1.633 -0.285 -11.659) 11.776 21.380 ( -0.333 2.815 -4.906) 5.666 21.476 ( 2.394 7.730 2.041) 8.346 21.830 ( -6.650 4.860 0.021) 8.237 22.201 ( 4.959 5.071 -0.353) 7.102 22.397 ( -2.485 5.686 -2.381) 6.646 22.441 ( -1.682 0.262 4.078) 4.419 ======================= Grid point 212 (91/117) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( -0.809 -7.702 9.836) 12.519 1.798 ( 2.684 -10.766 -11.972) 16.323 1.916 ( 6.115 0.023 4.713) 7.720 2.309 ( 5.042 -4.852 -14.283) 15.905 2.454 ( 0.949 -2.606 4.985) 5.705 2.559 ( 5.428 -4.902 5.580) 9.200 2.922 ( -3.739 -2.665 2.709) 5.331 3.074 ( 1.166 -1.796 -1.351) 2.532 3.144 ( -1.420 1.130 1.494) 2.351 3.208 ( -1.656 -2.187 2.092) 3.450 3.399 ( 2.510 3.836 0.694) 4.636 3.633 ( 0.925 -7.555 -4.914) 9.060 3.672 ( 2.048 -1.015 -3.399) 4.096 3.949 ( 0.642 2.595 5.437) 6.059 4.226 ( -4.533 0.230 0.663) 4.587 4.339 ( -4.420 4.149 -0.260) 6.068 4.605 ( 4.818 -4.444 -1.018) 6.633 5.067 ( 9.337 1.053 -7.308) 11.903 5.276 ( -10.358 -1.903 7.436) 12.892 5.389 ( 3.775 -3.950 -1.330) 5.624 5.601 ( 0.999 -6.055 -1.891) 6.422 5.665 ( 9.514 -4.845 3.243) 11.158 5.915 ( 1.337 2.732 -0.022) 3.042 6.056 ( 5.658 -2.555 -2.434) 6.668 6.541 ( -2.937 4.478 1.152) 5.478 6.710 ( 3.082 -3.470 3.496) 5.810 6.738 ( 1.167 -2.500 -2.191) 3.523 7.190 ( 3.138 -3.733 6.422) 8.064 7.248 ( -8.703 12.905 -6.281) 16.785 7.453 ( -2.152 1.298 2.274) 3.390 7.596 ( 0.871 9.227 -7.492) 11.917 7.990 ( -5.745 0.284 4.182) 7.111 8.109 ( 0.313 -0.686 -0.174) 0.774 8.547 ( -1.546 8.023 2.248) 8.474 8.993 ( -1.751 -1.679 0.683) 2.520 9.057 ( -7.729 0.017 -1.073) 7.803 9.328 ( -7.922 1.399 -0.101) 8.045 9.389 ( 0.325 2.335 -1.393) 2.738 9.527 ( -3.124 1.907 1.674) 4.024 9.615 ( -0.881 3.289 4.591) 5.716 10.011 ( 7.906 -2.565 -7.290) 11.056 10.263 ( -5.927 -2.138 7.548) 9.833 10.562 ( 0.160 -0.080 -3.328) 3.332 10.703 ( 5.220 0.930 -8.321) 9.867 10.777 ( -4.841 -6.517 8.604) 11.829 11.084 ( -3.009 -1.509 2.723) 4.330 11.393 ( -0.832 1.348 2.401) 2.876 11.585 ( -1.631 0.805 0.895) 2.027 11.654 ( -0.524 -1.221 -1.337) 1.885 11.992 ( -0.591 0.317 -3.561) 3.623 12.080 ( 6.526 -1.322 -2.015) 6.957 12.238 ( -1.898 0.040 -3.933) 4.367 12.551 ( 3.187 -0.688 3.399) 4.710 12.666 ( 1.572 -0.958 -0.911) 2.054 14.493 ( 1.151 -3.966 -0.354) 4.145 14.594 ( 2.435 -2.237 -0.513) 3.347 14.739 ( -0.381 2.360 -1.699) 2.933 14.819 ( 1.463 4.028 1.095) 4.423 15.247 ( -1.746 -2.161 1.929) 3.383 15.508 ( -0.030 1.151 -0.744) 1.371 15.933 ( -0.391 -8.870 -4.371) 9.896 16.439 ( 3.146 -5.757 0.138) 6.562 16.622 ( -6.993 1.489 6.191) 9.458 16.810 ( -9.232 -2.834 5.571) 11.148 17.412 ( 9.426 0.598 -4.421) 10.428 17.879 ( 1.357 5.951 -0.232) 6.108 18.014 ( -3.710 4.899 1.811) 6.407 18.933 ( 15.611 -6.819 -10.845) 20.195 19.303 ( -9.317 0.802 12.980) 15.997 19.480 ( 1.111 2.080 -1.688) 2.900 20.588 ( -2.403 0.160 2.085) 3.185 20.757 ( 0.815 -0.509 -7.014) 7.080 21.371 ( 0.848 -0.748 -1.217) 1.661 21.379 ( 1.898 4.173 1.763) 4.912 21.713 ( -3.552 2.975 0.547) 4.666 22.090 ( 1.940 7.068 0.083) 7.330 22.354 ( -1.231 -1.565 -2.373) 3.098 22.431 ( -0.547 0.929 2.608) 2.822 ======================= Grid point 213 (92/117) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -0.000 0.000 0.000) 0.000 1.919 ( 0.000 0.000 0.000) 0.000 1.945 ( -0.000 -0.000 -0.000) 0.000 2.350 ( -0.000 0.000 0.000) 0.000 2.480 ( 0.000 0.000 -0.000) 0.000 2.663 ( -0.000 0.000 0.000) 0.000 2.923 ( 0.000 0.000 -0.000) 0.000 3.085 ( 0.000 0.000 -0.000) 0.000 3.118 ( -0.000 0.000 0.000) 0.000 3.296 ( 0.000 0.000 -0.000) 0.000 3.319 ( -0.000 0.000 -0.000) 0.000 3.652 ( 0.000 0.000 0.000) 0.000 3.768 ( -0.000 0.000 0.000) 0.000 3.903 ( 0.000 0.000 -0.000) 0.000 4.202 ( 0.000 0.000 0.000) 0.000 4.270 ( 0.000 0.000 0.000) 0.000 4.672 ( -0.000 0.000 0.000) 0.000 5.102 ( 0.000 0.000 0.000) 0.000 5.244 ( -0.000 0.000 0.000) 0.000 5.464 ( -0.000 0.000 0.000) 0.000 5.654 ( -0.000 0.000 -0.000) 0.000 5.805 ( 0.000 0.000 0.000) 0.000 5.855 ( -0.000 0.000 0.000) 0.000 6.095 ( 0.000 0.000 -0.000) 0.000 6.487 ( 0.000 0.000 -0.000) 0.000 6.798 ( 0.000 0.000 -0.000) 0.000 6.809 ( 0.000 0.000 0.000) 0.000 6.978 ( -0.000 0.000 0.000) 0.000 7.348 ( -0.000 -0.000 0.000) 0.000 7.379 ( -0.000 0.000 -0.000) 0.000 7.460 ( 0.000 0.000 0.000) 0.000 7.895 ( 0.000 0.000 -0.000) 0.000 8.286 ( -0.000 0.000 0.000) 0.000 8.368 ( 0.000 -0.000 -0.000) 0.000 9.013 ( 0.000 0.000 0.000) 0.000 9.034 ( -0.000 0.000 -0.000) 0.000 9.266 ( 0.000 0.000 0.000) 0.000 9.353 ( -0.000 0.000 -0.000) 0.000 9.465 ( -0.000 -0.000 -0.000) 0.000 9.624 ( 0.000 0.000 -0.000) 0.000 10.075 ( -0.000 0.000 0.000) 0.000 10.255 ( 0.000 0.000 0.000) 0.000 10.561 ( -0.000 0.000 0.000) 0.000 10.708 ( 0.000 0.000 -0.000) 0.000 10.848 ( 0.000 0.000 0.000) 0.000 11.078 ( -0.000 0.000 -0.000) 0.000 11.381 ( -0.000 0.000 0.000) 0.000 11.555 ( -0.000 0.000 0.000) 0.000 11.662 ( 0.000 0.000 -0.000) 0.000 11.982 ( -0.000 0.000 0.000) 0.000 12.154 ( -0.000 0.000 -0.000) 0.000 12.201 ( 0.000 0.000 0.000) 0.000 12.574 ( -0.000 0.000 0.000) 0.000 12.679 ( 0.000 0.000 0.000) 0.000 14.544 ( -0.000 0.000 0.000) 0.000 14.657 ( 0.000 0.000 0.000) 0.000 14.679 ( -0.000 0.000 -0.000) 0.000 14.782 ( -0.000 0.000 -0.000) 0.000 15.267 ( -0.000 0.000 0.000) 0.000 15.497 ( -0.000 0.000 -0.000) 0.000 16.020 ( -0.000 0.000 0.000) 0.000 16.522 ( -0.000 0.000 0.000) 0.000 16.562 ( 0.000 0.000 -0.000) 0.000 16.810 ( -0.000 0.000 0.000) 0.000 17.450 ( -0.000 0.000 0.000) 0.000 17.822 ( 0.000 0.000 -0.000) 0.000 17.942 ( 0.000 0.000 0.000) 0.000 19.126 ( 0.000 0.000 -0.000) 0.000 19.193 ( -0.000 0.000 0.000) 0.000 19.459 ( -0.000 0.000 -0.000) 0.000 20.580 ( 0.000 0.000 -0.000) 0.000 20.762 ( -0.000 0.000 0.000) 0.000 21.345 ( -0.000 0.000 0.000) 0.000 21.389 ( 0.000 0.000 -0.000) 0.000 21.670 ( -0.000 0.000 0.000) 0.000 22.023 ( 0.000 0.000 -0.000) 0.000 22.375 ( -0.000 0.000 -0.000) 0.000 22.412 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 220 (93/117) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 5.455 -0.000 -12.613) 13.742 1.122 ( 7.101 -0.000 5.152) 8.773 1.242 ( 7.641 -0.000 -8.404) 11.359 1.424 ( 9.133 -0.000 13.599) 16.382 1.852 ( 8.882 -0.000 25.897) 27.378 1.909 ( 16.676 -0.000 -31.021) 35.220 2.697 ( -3.675 0.000 9.964) 10.620 2.761 ( 1.282 -0.000 -7.604) 7.712 3.252 ( -2.836 0.000 -0.533) 2.885 3.269 ( -1.451 0.000 4.481) 4.711 3.572 ( 0.422 -0.000 -6.661) 6.674 3.577 ( -4.909 0.000 -0.514) 4.936 3.637 ( -1.757 0.000 0.854) 1.954 3.677 ( 8.201 -0.000 5.749) 10.015 4.084 ( -0.520 0.000 -7.056) 7.075 4.250 ( 9.206 -0.000 4.428) 10.216 4.500 ( -18.062 0.000 9.539) 20.426 5.051 ( 3.589 -0.000 -12.761) 13.256 5.221 ( 7.464 -0.000 11.063) 13.345 5.287 ( 2.876 -0.000 -3.101) 4.230 5.505 ( 4.364 -0.000 -1.717) 4.689 5.673 ( 10.939 -0.000 -6.465) 12.707 5.762 ( -4.694 0.000 -7.474) 8.826 5.868 ( 2.083 -0.000 5.348) 5.739 6.437 ( -6.841 0.000 14.226) 15.785 6.615 ( 6.637 -0.000 -3.652) 7.576 6.915 ( -0.775 0.000 0.071) 0.779 6.978 ( 6.430 -0.000 -3.972) 7.558 7.525 ( -6.559 0.000 8.774) 10.955 7.677 ( 1.888 -0.000 -1.061) 2.166 8.062 ( -8.207 0.000 0.536) 8.224 8.190 ( 1.268 -0.000 -7.226) 7.337 8.664 ( -7.594 0.000 -2.461) 7.983 8.851 ( 3.044 -0.000 2.304) 3.817 9.231 ( -13.632 0.000 3.516) 14.078 9.351 ( -2.360 0.000 14.259) 14.453 9.444 ( -4.077 0.000 -6.706) 7.848 9.506 ( -1.230 0.000 -3.264) 3.488 9.634 ( -5.005 0.000 4.475) 6.714 9.856 ( -3.833 0.000 -6.534) 7.575 10.061 ( -8.734 0.000 3.281) 9.330 10.315 ( -6.369 0.000 -1.617) 6.572 10.412 ( -13.431 0.000 8.352) 15.816 10.505 ( -2.856 0.000 -6.014) 6.657 10.605 ( -2.914 0.000 5.331) 6.075 10.876 ( 3.527 -0.000 -4.811) 5.965 11.354 ( -10.747 0.000 4.800) 11.770 11.460 ( -16.305 0.000 -1.509) 16.375 11.730 ( 9.395 -0.000 3.177) 9.918 11.788 ( 8.439 -0.000 -3.020) 8.963 12.055 ( -8.034 0.000 -1.411) 8.157 12.209 ( 9.036 -0.000 1.021) 9.094 12.628 ( -11.109 0.000 9.911) 14.888 12.897 ( 7.346 -0.000 -2.989) 7.931 14.275 ( -10.271 0.000 -0.819) 10.303 14.300 ( -5.833 0.000 5.268) 7.860 14.904 ( -4.426 0.000 11.052) 11.905 15.092 ( -2.095 0.000 -6.634) 6.957 15.273 ( 6.417 -0.000 0.255) 6.422 15.412 ( 8.993 -0.000 4.447) 10.033 15.839 ( -12.591 0.000 3.859) 13.170 16.005 ( -0.834 0.000 -4.949) 5.019 16.050 ( -0.963 0.000 4.782) 4.878 16.960 ( -1.151 0.000 18.130) 18.167 17.671 ( 34.547 -0.000 17.613) 38.778 18.042 ( 17.760 -0.000 -9.370) 20.080 18.255 ( 1.666 -0.000 -0.923) 1.905 18.282 ( 4.615 -0.000 -0.922) 4.706 19.133 ( 1.023 -0.000 12.933) 12.974 19.137 ( 6.687 -0.000 -5.594) 8.718 20.708 ( -4.123 0.000 14.063) 14.655 20.750 ( 3.297 -0.000 -16.563) 16.888 21.891 ( -3.361 0.000 7.185) 7.932 21.907 ( 0.863 -0.000 -7.693) 7.741 22.037 ( 0.857 -0.000 -0.041) 0.858 22.050 ( -0.822 0.000 -1.455) 1.671 22.580 ( -27.554 0.000 -11.872) 30.003 23.098 ( -0.383 0.000 -4.627) 4.643 ======================= Grid point 221 (94/117) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 5.767 -0.145 -2.156) 6.159 1.332 ( 12.176 -8.441 -9.318) 17.502 1.390 ( 6.851 -12.194 7.313) 15.783 1.661 ( 10.399 -12.756 3.487) 16.824 1.983 ( 16.181 -3.129 -3.662) 16.882 2.077 ( 15.721 -4.871 -2.433) 16.637 2.729 ( -3.316 -3.953 4.206) 6.656 2.803 ( 0.335 -5.552 -1.957) 5.896 3.183 ( -4.103 3.834 1.428) 5.794 3.247 ( -2.222 1.010 3.303) 4.107 3.480 ( -4.016 3.977 -4.430) 7.181 3.589 ( -2.566 -1.716 -1.746) 3.547 3.612 ( -0.059 1.661 3.217) 3.621 3.776 ( 9.961 -1.726 2.747) 10.476 4.115 ( 0.070 -3.969 -7.421) 8.416 4.334 ( 0.624 -0.190 6.022) 6.057 4.419 ( -4.991 -3.417 6.569) 8.929 5.061 ( -3.238 -3.297 -3.367) 5.718 5.262 ( 8.302 3.351 -0.800) 8.989 5.338 ( 6.480 -0.624 -0.562) 6.534 5.533 ( 2.323 4.121 -7.030) 8.474 5.613 ( 0.651 4.419 -0.651) 4.514 5.785 ( 9.169 -1.777 -4.747) 10.477 5.889 ( 4.168 0.531 2.346) 4.812 6.424 ( -5.344 -2.187 11.061) 12.477 6.671 ( 5.085 -0.701 0.533) 5.160 6.929 ( -0.509 -1.173 -4.444) 4.624 7.133 ( 7.975 -8.343 0.929) 11.579 7.414 ( -4.201 6.815 7.180) 10.754 7.641 ( 1.196 3.261 1.750) 3.890 7.946 ( -10.531 4.713 2.136) 11.733 8.163 ( 0.797 2.566 -11.697) 12.001 8.606 ( -8.507 -1.062 -2.301) 8.877 8.848 ( -1.278 3.376 0.983) 3.741 9.016 ( -14.442 6.875 6.839) 17.396 9.298 ( -1.926 3.257 1.452) 4.053 9.428 ( -8.194 -1.555 0.444) 8.352 9.461 ( -0.690 2.698 -2.043) 3.454 9.591 ( -6.633 1.637 3.260) 7.570 9.838 ( -10.860 -3.957 -3.732) 12.146 9.991 ( -8.936 1.361 5.980) 10.838 10.223 ( -5.507 0.072 -1.340) 5.668 10.377 ( -11.014 -4.934 5.137) 13.117 10.500 ( -4.422 -3.064 -3.590) 6.468 10.677 ( 0.100 -5.768 4.819) 7.517 10.868 ( 0.752 1.525 -2.622) 3.126 11.316 ( -8.242 -2.982 1.989) 8.987 11.372 ( -18.407 -6.515 2.275) 19.658 11.726 ( 4.499 6.533 4.183) 8.968 11.875 ( 6.808 -2.165 -1.711) 7.346 12.003 ( -6.285 -1.293 -0.081) 6.417 12.292 ( 8.412 -1.424 -2.894) 9.009 12.555 ( 0.976 2.243 12.636) 12.871 12.857 ( 9.316 8.999 -6.197) 14.359 14.222 ( -4.622 -3.443 0.113) 5.764 14.381 ( -6.591 -9.349 0.522) 11.451 14.818 ( 3.423 6.392 1.295) 7.366 15.158 ( 2.072 3.771 -0.141) 4.305 15.243 ( 0.980 -4.818 -0.648) 4.959 15.473 ( 0.984 5.472 2.397) 6.054 15.700 ( 2.937 1.904 -3.101) 4.677 16.028 ( -0.081 -2.046 5.788) 6.140 16.213 ( -4.670 -14.116 -2.108) 15.017 16.866 ( -23.126 -0.593 22.204) 32.066 17.738 ( 30.827 16.777 2.783) 35.207 18.224 ( -0.374 1.673 0.276) 1.737 18.269 ( 8.092 1.276 0.066) 8.192 18.402 ( 18.639 -7.173 -1.523) 20.030 19.181 ( 1.127 -2.577 10.482) 10.853 19.290 ( 11.048 -6.670 4.999) 13.840 20.681 ( -5.193 0.767 11.058) 12.241 20.753 ( 2.646 0.273 -16.418) 16.632 21.697 ( -6.022 11.950 -5.625) 14.516 21.829 ( 0.783 10.092 -3.585) 10.739 21.951 ( -7.040 -0.706 -2.386) 7.467 22.186 ( 2.733 -4.343 -0.972) 5.222 22.372 ( -13.829 -1.276 -7.941) 15.998 22.927 ( -4.682 13.112 -0.109) 13.923 ======================= Grid point 222 (95/117) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 7.282 -4.890 5.596) 10.404 1.539 ( 12.294 -4.422 -10.696) 16.885 1.725 ( 8.736 -11.786 9.526) 17.492 1.972 ( 11.870 -11.080 -8.517) 18.335 2.226 ( 11.438 -8.875 -9.112) 17.106 2.310 ( 10.832 -6.822 10.297) 16.429 2.783 ( -3.824 -5.124 -0.809) 6.444 2.984 ( 2.691 -10.631 2.598) 11.270 3.070 ( -3.005 4.274 0.864) 5.296 3.215 ( -2.610 0.722 2.654) 3.792 3.383 ( -4.269 0.720 -5.201) 6.767 3.561 ( 0.944 3.337 0.582) 3.516 3.623 ( -1.717 -2.648 1.971) 3.721 3.901 ( 9.821 -2.392 1.015) 10.158 4.182 ( -4.926 -3.779 -3.044) 6.914 4.320 ( -2.961 -2.796 2.983) 5.048 4.502 ( 3.644 -1.395 2.687) 4.737 5.121 ( -1.165 -4.631 -3.335) 5.824 5.219 ( 1.454 6.698 0.094) 6.855 5.352 ( -4.086 0.929 -1.210) 4.361 5.427 ( 7.754 0.534 -1.708) 7.958 5.662 ( 12.233 1.013 1.557) 12.373 5.888 ( 7.109 -1.893 -0.072) 7.357 5.937 ( 6.928 -1.409 -5.437) 8.919 6.472 ( -2.226 -5.048 5.559) 7.832 6.724 ( 4.967 -0.622 2.486) 5.589 6.880 ( -1.368 5.543 -3.143) 6.517 7.257 ( -0.033 7.421 3.186) 8.076 7.338 ( 2.480 -6.527 6.406) 9.476 7.639 ( 0.326 -1.364 -1.022) 1.736 7.734 ( -7.606 8.042 1.215) 11.135 8.062 ( -1.685 6.431 -12.172) 13.869 8.523 ( -6.285 6.513 3.912) 9.860 8.708 ( -7.628 4.269 -4.323) 9.752 8.856 ( -8.516 -0.346 3.819) 9.340 9.187 ( -9.396 5.152 -1.239) 10.787 9.316 ( -16.712 0.983 3.303) 17.063 9.431 ( 0.217 0.070 -1.225) 1.246 9.531 ( 0.234 1.021 0.569) 1.192 9.820 ( -8.021 -2.666 -3.023) 8.977 9.936 ( -2.983 -0.018 6.827) 7.450 10.200 ( -0.931 1.558 4.356) 4.720 10.419 ( -10.362 -8.952 -0.791) 13.716 10.521 ( -5.972 -2.930 -2.101) 6.976 10.771 ( -0.234 -1.932 -3.180) 3.729 10.889 ( 1.185 -4.425 8.572) 9.719 11.341 ( -9.941 -6.612 2.220) 12.144 11.389 ( -14.074 -7.249 1.311) 15.885 11.627 ( 0.380 4.674 3.238) 5.699 11.912 ( -8.394 -3.059 -2.902) 9.393 12.060 ( 10.696 -1.947 1.821) 11.023 12.372 ( 9.061 0.873 -6.999) 11.482 12.567 ( 6.767 2.095 9.182) 11.597 12.752 ( 9.909 7.816 -6.000) 13.974 14.303 ( -0.273 -6.180 -1.472) 6.358 14.502 ( -4.271 -7.203 -1.629) 8.531 14.755 ( 4.057 3.296 -0.389) 5.241 15.046 ( 2.669 7.152 0.375) 7.643 15.280 ( -1.728 4.241 -0.125) 4.581 15.464 ( -1.233 -6.868 0.459) 6.993 15.683 ( 6.575 3.079 -3.896) 8.240 16.136 ( -1.125 -8.048 5.058) 9.572 16.428 ( -5.420 -12.369 -1.947) 13.644 16.717 ( -22.047 -0.595 21.344) 30.692 17.673 ( 26.189 12.770 -6.393) 29.830 18.151 ( 0.915 5.689 0.671) 5.801 18.236 ( 2.622 5.457 -1.569) 6.254 18.663 ( 13.214 -6.746 -4.157) 15.408 19.245 ( -1.909 -2.455 11.925) 12.324 19.484 ( 7.930 -3.063 6.886) 10.940 20.620 ( -5.968 1.504 5.543) 8.282 20.744 ( 1.404 0.249 -15.202) 15.269 21.445 ( -3.906 6.584 -9.452) 12.164 21.654 ( 0.670 8.576 -0.401) 8.612 21.870 ( -4.121 3.824 -0.770) 5.675 22.240 ( 1.699 -1.172 -3.205) 3.812 22.383 ( -3.312 -4.156 1.528) 5.530 22.605 ( -5.233 15.070 2.336) 16.123 ======================= Grid point 223 (96/117) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 5.995 -8.819 8.900) 13.890 1.691 ( 9.581 -4.206 -12.341) 16.180 1.962 ( 11.416 -4.257 7.869) 14.504 2.247 ( 11.535 -7.391 -14.136) 19.685 2.410 ( 3.374 -4.191 2.020) 5.747 2.500 ( 5.455 -6.299 7.127) 10.964 2.848 ( -3.773 -3.237 0.343) 4.983 3.018 ( -1.008 -2.128 -1.561) 2.825 3.142 ( 0.101 -0.705 2.323) 2.430 3.190 ( 0.662 -0.566 3.280) 3.393 3.453 ( 0.499 -10.281 -5.568) 11.703 3.497 ( 0.833 4.005 0.046) 4.091 3.663 ( -0.024 -1.683 0.118) 1.687 3.996 ( 5.605 0.080 2.709) 6.226 4.164 ( -7.421 -1.256 2.580) 7.956 4.372 ( -0.580 0.072 -4.956) 4.990 4.537 ( 0.967 -2.894 1.271) 3.306 5.091 ( -8.828 2.055 6.153) 10.955 5.186 ( 1.327 -2.441 -5.310) 5.993 5.362 ( 1.680 -2.396 -1.358) 3.226 5.538 ( 10.173 -3.476 0.227) 10.753 5.745 ( 12.774 1.092 1.015) 12.861 5.941 ( 1.067 0.007 3.987) 4.127 6.042 ( 8.066 -3.257 -9.093) 12.584 6.568 ( -1.670 -4.066 3.542) 5.645 6.718 ( 5.086 6.367 -2.265) 8.458 6.785 ( 2.590 1.627 5.108) 5.953 7.194 ( 5.442 0.267 -1.609) 5.681 7.336 ( -15.645 5.979 1.633) 16.828 7.501 ( 1.641 4.814 1.237) 5.235 7.751 ( 5.510 0.536 -5.925) 8.109 7.896 ( -5.851 2.823 -5.492) 8.506 8.260 ( -4.913 13.579 5.415) 15.423 8.607 ( -8.250 1.371 -2.344) 8.685 8.882 ( -3.067 -5.586 -1.154) 6.476 9.014 ( -10.092 1.736 4.964) 11.380 9.207 ( -13.820 -1.512 -3.202) 14.267 9.420 ( -1.467 0.595 -0.305) 1.612 9.529 ( 1.153 0.568 2.990) 3.254 9.766 ( 0.853 6.086 -0.166) 6.147 9.962 ( -1.734 -4.180 2.931) 5.392 10.186 ( -2.717 -1.897 4.940) 5.949 10.502 ( -8.867 -2.252 -2.139) 9.395 10.556 ( -4.032 -10.798 -2.978) 11.905 10.777 ( 4.179 1.397 -5.374) 6.949 11.000 ( -3.016 -4.709 11.235) 12.550 11.388 ( -7.974 -4.840 2.015) 9.543 11.404 ( -13.670 -5.682 3.059) 15.116 11.587 ( -1.437 -0.324 -0.907) 1.730 11.897 ( -9.321 -3.388 -1.184) 9.988 12.187 ( 13.443 -0.433 0.337) 13.454 12.366 ( 10.173 6.105 -8.060) 14.343 12.600 ( 5.712 0.726 6.055) 8.355 12.711 ( 6.761 3.583 -3.202) 8.294 14.421 ( 1.971 -5.188 -1.131) 5.664 14.574 ( -0.663 -2.777 -1.533) 3.241 14.753 ( 2.130 0.159 0.605) 2.220 14.938 ( 1.913 6.251 -0.112) 6.538 15.214 ( -0.403 0.758 -1.019) 1.333 15.484 ( -6.965 0.212 3.371) 7.741 15.801 ( 9.209 -7.762 -5.460) 13.224 16.289 ( -3.493 -8.870 3.295) 10.086 16.584 ( -3.025 -5.011 -0.999) 5.938 16.608 ( -15.061 -4.355 16.025) 22.419 17.655 ( 24.135 9.328 -11.234) 28.209 18.029 ( 1.130 7.783 1.095) 7.940 18.115 ( -0.796 7.292 -0.956) 7.398 18.882 ( 9.074 -7.680 -5.668) 13.170 19.255 ( -6.011 -0.024 12.831) 14.170 19.529 ( 1.064 1.960 1.820) 2.879 20.571 ( -3.153 0.008 3.738) 4.890 20.736 ( 0.153 -0.510 -12.426) 12.437 21.367 ( 0.130 0.387 -3.731) 3.753 21.512 ( 1.315 7.092 1.138) 7.302 21.762 ( -1.630 4.472 0.639) 4.803 22.256 ( 1.959 5.027 0.037) 5.396 22.326 ( -5.707 4.814 -0.581) 7.489 22.423 ( -1.442 -1.323 1.810) 2.666 ======================= Grid point 224 (97/117) ======================= q-point: ( 0.50 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 3.133 -4.921 6.813) 8.970 1.813 ( 3.503 -3.735 -11.414) 12.510 2.095 ( 11.953 1.646 6.810) 13.855 2.363 ( 5.349 -0.530 -5.578) 7.747 2.482 ( 2.365 -1.110 0.885) 2.759 2.649 ( 2.886 -2.865 1.380) 4.295 2.857 ( -3.951 -3.479 3.098) 6.108 3.078 ( -2.165 -2.900 -2.480) 4.388 3.132 ( 1.412 0.960 2.051) 2.669 3.244 ( 5.741 -2.551 -0.674) 6.319 3.401 ( -1.526 5.205 -1.587) 5.651 3.653 ( 3.030 -4.209 -1.673) 5.449 3.684 ( -0.927 -3.683 -1.664) 4.147 3.976 ( 1.197 4.688 5.336) 7.203 4.158 ( -4.023 -2.752 1.043) 4.984 4.304 ( 0.312 3.243 -2.561) 4.144 4.619 ( -2.733 -3.820 -2.378) 5.265 5.006 ( -15.085 -1.464 9.937) 18.123 5.242 ( 5.210 -2.054 -7.185) 9.110 5.451 ( 2.359 -4.691 -0.228) 5.255 5.666 ( 7.423 -0.677 0.917) 7.510 5.807 ( 7.176 1.317 0.258) 7.301 5.926 ( -0.150 1.893 1.031) 2.161 6.097 ( -0.361 1.531 -3.061) 3.441 6.550 ( 4.243 3.286 2.241) 5.816 6.768 ( 3.982 -4.182 4.120) 7.094 6.806 ( 6.472 -1.158 -3.546) 7.470 7.035 ( -12.075 9.169 -4.774) 15.896 7.285 ( 5.089 -2.367 1.673) 5.856 7.456 ( 1.374 1.979 5.037) 5.584 7.590 ( 0.489 12.024 -11.344) 16.538 7.908 ( -4.068 -0.196 2.758) 4.919 8.123 ( 0.853 -5.507 -0.613) 5.606 8.473 ( -7.647 5.779 -2.803) 9.986 8.956 ( -2.257 -3.845 1.510) 4.707 9.017 ( -0.195 -4.214 6.827) 8.025 9.128 ( -11.206 -1.713 -7.824) 13.774 9.394 ( -1.203 0.894 -0.286) 1.526 9.542 ( 3.198 -0.397 1.214) 3.444 9.659 ( 4.696 5.952 6.168) 9.774 10.016 ( -7.567 -3.362 3.527) 9.001 10.232 ( 1.571 -2.975 -3.100) 4.574 10.474 ( -8.305 -2.644 -1.910) 8.922 10.726 ( -4.107 -6.907 5.749) 9.880 10.788 ( 6.955 -0.892 -13.980) 15.640 11.037 ( -4.311 -1.788 10.288) 11.297 11.395 ( -3.398 -0.583 0.495) 3.483 11.403 ( -15.432 -5.854 6.239) 17.645 11.592 ( -1.550 -1.807 -3.865) 4.540 11.893 ( -8.711 -3.655 1.274) 9.532 12.284 ( 10.771 1.327 0.105) 10.853 12.307 ( 10.852 6.993 -3.767) 13.448 12.625 ( 5.003 2.264 2.904) 6.212 12.700 ( 3.236 1.436 -2.189) 4.163 14.518 ( 1.918 -3.144 -0.272) 3.693 14.615 ( 0.146 -2.254 -0.208) 2.269 14.740 ( 1.074 3.142 -0.301) 3.334 14.839 ( 0.644 4.939 0.135) 4.983 15.235 ( 0.230 -2.521 -1.749) 3.077 15.443 ( -6.938 -1.791 4.323) 8.369 16.008 ( 9.175 -5.447 -5.473) 11.992 16.407 ( -7.813 -6.949 6.018) 12.064 16.565 ( -0.015 -0.994 5.274) 5.367 16.708 ( -4.387 -6.865 0.437) 8.159 17.641 ( 19.022 10.094 -12.223) 24.761 17.893 ( 0.839 6.698 0.529) 6.771 17.985 ( 0.189 4.140 0.075) 4.145 19.055 ( -4.863 -4.785 3.419) 7.631 19.197 ( -0.471 0.644 3.230) 3.327 19.480 ( -0.979 2.033 -0.376) 2.288 20.572 ( -0.297 -0.824 3.160) 3.279 20.738 ( -0.991 -1.214 -7.559) 7.720 21.376 ( 0.104 0.021 0.215) 0.240 21.413 ( 1.506 4.133 0.160) 4.402 21.693 ( 1.035 2.246 0.972) 2.657 22.076 ( -3.751 6.637 0.526) 7.642 22.341 ( 0.327 -2.492 -2.255) 3.377 22.421 ( -1.337 0.356 1.766) 2.243 ======================= Grid point 225 (98/117) ======================= q-point: (-0.40 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 2.621 1.657 -1.025) 3.266 1.840 ( -3.641 -0.126 -6.342) 7.314 2.076 ( 9.497 9.684 6.686) 15.122 2.390 ( 2.713 2.699 10.449) 11.128 2.487 ( 0.808 1.819 -6.234) 6.544 2.596 ( -5.685 4.195 -2.193) 7.398 2.966 ( 4.236 -4.152 -2.844) 6.578 3.090 ( 0.591 3.086 0.829) 3.249 3.108 ( -1.229 -2.300 0.234) 2.618 3.280 ( -2.191 4.360 -3.406) 5.951 3.348 ( 4.733 -1.582 -0.262) 4.997 3.667 ( 0.805 -0.055 2.796) 2.910 3.740 ( -2.879 1.931 0.693) 3.536 3.901 ( -0.793 1.031 -0.118) 1.306 4.208 ( 1.122 -3.682 0.317) 3.862 4.318 ( 5.893 -2.381 -1.411) 6.511 4.597 ( -8.314 0.650 -0.817) 8.380 4.930 ( -16.186 -2.616 8.079) 18.278 5.322 ( 5.912 -1.727 -6.086) 8.659 5.509 ( 1.932 3.013 2.529) 4.383 5.655 ( 1.725 4.620 -0.364) 4.945 5.808 ( 1.085 5.404 -1.615) 5.744 5.855 ( -0.478 2.297 0.541) 2.408 6.028 ( -6.273 0.043 -0.932) 6.342 6.551 ( 5.219 1.476 1.248) 5.565 6.741 ( -5.307 5.683 -2.319) 8.114 6.838 ( 4.945 2.667 2.995) 6.367 7.054 ( 7.068 -11.527 -5.039) 14.430 7.297 ( -4.762 8.300 -3.831) 10.307 7.358 ( -3.616 -3.227 7.161) 8.647 7.546 ( 10.144 -2.059 -2.317) 10.607 7.950 ( 5.750 -4.721 -0.051) 7.440 8.206 ( -8.255 5.423 1.537) 9.996 8.372 ( 0.194 -7.420 -5.758) 9.394 8.991 ( -1.180 -1.236 -0.254) 1.728 9.105 ( 6.234 -1.638 3.565) 7.366 9.161 ( -5.383 -10.628 -5.949) 13.316 9.376 ( -1.613 -0.518 0.998) 1.966 9.601 ( 13.445 1.738 3.810) 14.082 9.627 ( 0.724 1.147 -1.673) 2.154 9.966 ( -11.718 0.332 7.261) 13.789 10.306 ( 4.983 -2.119 -6.560) 8.506 10.467 ( -9.031 -3.746 0.455) 9.787 10.726 ( -1.304 2.260 6.979) 7.451 10.860 ( 4.042 -0.028 -14.324) 14.884 11.072 ( -1.819 -3.714 5.702) 7.043 11.367 ( -6.528 -1.575 -1.253) 6.831 11.413 ( -12.357 -5.820 9.324) 16.538 11.623 ( 1.298 -1.619 -4.509) 4.963 11.899 ( -8.779 -3.831 3.989) 10.376 12.224 ( 8.583 7.325 -0.829) 11.314 12.345 ( 9.114 2.783 1.579) 9.659 12.593 ( 2.977 4.164 -0.961) 5.208 12.694 ( 1.546 1.608 -0.336) 2.256 14.551 ( 0.855 1.498 -0.183) 1.735 14.636 ( -1.986 2.195 0.027) 2.960 14.694 ( 1.310 -0.789 1.135) 1.904 14.776 ( -0.764 0.874 -0.495) 1.262 15.277 ( 1.645 -0.717 -3.015) 3.508 15.444 ( -5.959 -2.701 4.512) 7.947 16.103 ( 8.957 3.055 -1.737) 9.621 16.440 ( -6.314 -1.708 4.156) 7.750 16.629 ( 4.220 -2.456 -1.718) 5.176 16.794 ( -2.297 -5.075 0.806) 5.629 17.532 ( 10.329 10.543 -7.674) 16.635 17.814 ( -1.466 0.916 0.539) 1.811 17.999 ( 8.683 -1.122 -4.152) 9.690 18.915 ( -20.281 4.707 13.818) 24.989 19.309 ( 8.118 -4.329 -10.006) 13.592 19.454 ( -1.096 0.003 2.442) 2.677 20.596 ( 1.800 -0.730 0.799) 2.100 20.744 ( -2.091 -1.094 -0.821) 2.498 21.345 ( -0.030 1.376 0.527) 1.474 21.384 ( -0.678 1.100 -0.484) 1.380 21.703 ( 4.001 -1.080 0.364) 4.160 21.988 ( -4.272 -0.830 0.195) 4.356 22.378 ( 0.390 -0.627 -0.109) 0.747 22.408 ( -0.467 -0.451 -0.361) 0.743 ======================= Grid point 226 (99/117) ======================= q-point: (-0.30 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 3.399 8.757 -7.339) 11.921 1.721 ( -6.078 8.565 -0.041) 10.503 1.958 ( 7.828 9.157 5.654) 13.307 2.243 ( -7.660 10.734 10.086) 16.602 2.417 ( -2.303 4.210 5.134) 7.028 2.488 ( -1.485 5.052 -12.738) 13.783 2.971 ( 3.868 2.650 -1.656) 4.973 3.066 ( -0.754 2.586 1.024) 2.882 3.152 ( 0.750 -1.697 -1.149) 2.182 3.260 ( 2.037 -3.823 -6.184) 7.551 3.340 ( -0.937 4.000 0.805) 4.187 3.566 ( -7.999 7.296 5.664) 12.218 3.719 ( 5.515 -0.168 4.235) 6.956 3.914 ( -2.969 -1.662 -4.219) 5.420 4.296 ( 4.412 -2.207 0.095) 4.934 4.442 ( 6.562 -3.061 -1.252) 7.348 4.503 ( -4.518 1.763 -2.253) 5.348 4.871 ( -15.671 -3.638 8.422) 18.159 5.347 ( -0.152 2.791 0.837) 2.918 5.401 ( 1.809 6.390 -2.603) 7.133 5.547 ( -0.468 6.875 -6.660) 9.583 5.620 ( 1.332 7.618 1.966) 7.980 5.885 ( -2.174 -0.767 1.933) 3.008 5.965 ( -5.529 2.652 1.033) 6.218 6.580 ( 1.416 -2.041 1.175) 2.748 6.651 ( -2.853 0.480 -3.396) 4.461 6.808 ( 8.364 4.046 1.595) 9.427 7.099 ( -6.410 4.804 -3.422) 8.710 7.347 ( 4.380 -11.548 -6.697) 14.050 7.467 ( -4.284 -6.994 12.759) 15.168 7.669 ( 10.402 -2.341 -4.261) 11.482 7.972 ( -6.535 4.544 0.104) 7.960 8.196 ( 9.984 -9.093 1.027) 13.543 8.511 ( -5.174 -7.769 -5.371) 10.770 9.070 ( 9.360 -4.101 -3.453) 10.786 9.202 ( 7.851 -1.795 4.635) 9.293 9.323 ( -2.044 -7.367 -6.154) 9.814 9.411 ( -1.221 -4.584 2.669) 5.443 9.560 ( 1.601 4.853 -8.502) 9.920 9.685 ( -2.006 -1.019 12.954) 13.147 9.923 ( 4.376 -2.609 1.302) 5.259 10.352 ( 2.847 0.127 -5.547) 6.236 10.469 ( -6.186 -2.361 0.073) 6.621 10.660 ( -5.221 3.202 12.552) 13.966 10.867 ( 10.688 1.193 -20.566) 23.209 11.115 ( 0.506 -0.058 3.017) 3.060 11.366 ( -5.916 -3.567 -1.580) 7.086 11.435 ( -18.113 -6.954 12.896) 23.297 11.646 ( 6.453 1.844 -6.682) 9.470 11.894 ( -9.156 -1.866 6.048) 11.130 12.188 ( 10.031 3.568 1.840) 10.804 12.331 ( 4.469 3.833 0.987) 5.970 12.522 ( 1.579 4.940 -2.109) 5.598 12.643 ( -1.972 3.838 0.055) 4.315 14.488 ( 0.518 4.547 -0.059) 4.576 14.550 ( -2.952 3.449 0.844) 4.617 14.752 ( 0.624 -2.890 2.233) 3.705 14.794 ( -1.286 -3.136 -1.663) 3.776 15.284 ( 3.988 1.232 -4.798) 6.359 15.448 ( -6.859 -2.172 5.448) 9.025 16.043 ( 10.517 10.367 1.588) 14.853 16.357 ( -6.713 5.395 -0.683) 8.639 16.697 ( 4.307 -0.895 -2.128) 4.887 16.866 ( -3.719 -4.145 0.930) 5.646 17.460 ( 15.585 5.471 -8.878) 18.753 17.835 ( -5.069 -5.083 2.119) 7.485 18.106 ( 9.688 -2.072 -5.339) 11.255 18.654 ( -22.341 5.965 12.875) 26.466 19.391 ( 5.396 0.461 -10.470) 11.788 19.460 ( -2.014 -0.832 3.914) 4.480 20.635 ( 4.021 -1.218 -2.336) 4.807 20.743 ( -2.835 -0.596 5.631) 6.333 21.349 ( -0.985 -1.693 -0.729) 2.090 21.359 ( -1.165 -0.935 0.332) 1.530 21.796 ( 6.688 -4.109 -0.093) 7.850 22.024 ( -5.974 -6.300 0.111) 8.683 22.383 ( 1.381 -0.031 2.674) 3.010 22.426 ( -0.307 -1.233 -3.154) 3.400 ======================= Grid point 227 (100/117) ======================= q-point: (-0.20 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 4.985 13.289 -7.374) 15.995 1.469 ( -6.748 11.488 5.431) 14.388 1.850 ( 5.845 8.885 -1.212) 10.704 1.970 ( -9.327 10.748 6.277) 15.554 2.276 ( -3.011 9.916 11.503) 15.483 2.302 ( -2.307 10.998 -13.647) 17.678 2.976 ( 4.426 2.576 -1.032) 5.224 3.021 ( -1.245 0.532 1.536) 2.047 3.130 ( 4.187 4.944 -4.180) 7.710 3.230 ( -6.165 3.384 2.177) 7.362 3.368 ( 2.268 -5.225 -5.848) 8.164 3.427 ( -5.136 0.314 6.412) 8.221 3.762 ( 6.797 2.002 2.668) 7.571 3.866 ( -4.677 3.079 -2.447) 6.111 4.321 ( 1.884 3.051 1.905) 4.060 4.367 ( -3.828 4.818 -1.012) 6.236 4.604 ( 13.737 -2.537 -7.488) 15.849 4.834 ( -16.431 -4.184 9.229) 19.305 5.271 ( -0.666 2.502 3.392) 4.267 5.299 ( -3.183 2.527 -5.598) 6.918 5.491 ( 6.461 1.018 -0.562) 6.565 5.546 ( 0.651 2.132 -1.294) 2.577 5.820 ( -3.478 4.138 4.011) 6.731 5.845 ( -4.294 5.458 -1.505) 7.106 6.616 ( 1.161 2.045 -3.035) 3.839 6.629 ( -1.442 -0.801 1.881) 2.501 6.883 ( 8.824 -4.398 0.511) 9.873 7.026 ( -7.852 -3.518 -1.539) 8.741 7.435 ( 4.199 2.239 -9.762) 10.860 7.516 ( -8.394 0.447 9.584) 12.748 7.833 ( 10.545 -7.372 -2.483) 13.104 7.952 ( -5.140 -6.158 3.251) 8.655 8.480 ( 9.154 -11.263 -0.699) 14.531 8.609 ( -6.166 -8.659 -2.139) 10.843 9.187 ( 13.310 3.273 -1.704) 13.812 9.312 ( 6.158 -3.152 2.266) 7.280 9.352 ( -6.332 3.177 0.651) 7.114 9.403 ( -4.313 0.405 -3.254) 5.418 9.591 ( 7.660 -6.937 -7.489) 12.762 9.718 ( -10.789 -8.422 10.672) 17.355 10.127 ( 18.053 -5.820 0.540) 18.976 10.355 ( 0.303 -0.454 -2.184) 2.251 10.444 ( -2.359 1.021 -5.592) 6.154 10.554 ( -9.195 2.782 9.370) 13.420 10.947 ( 15.526 0.993 -14.585) 21.325 11.079 ( 0.088 4.836 3.310) 5.861 11.388 ( -5.998 -3.825 -3.445) 7.904 11.419 ( -14.865 -5.748 9.374) 18.490 11.654 ( 10.354 3.316 -5.315) 12.101 11.821 ( -11.240 1.835 6.324) 13.027 12.247 ( 8.621 -0.513 3.949) 9.496 12.315 ( 5.175 0.329 0.096) 5.186 12.420 ( -0.678 5.989 -2.294) 6.449 12.519 ( -7.657 4.529 -0.421) 8.906 14.415 ( 2.063 3.744 0.212) 4.280 14.469 ( -4.647 2.199 1.261) 5.294 14.812 ( 2.692 -2.137 2.154) 4.056 14.856 ( -2.299 -4.500 -2.227) 5.522 15.312 ( 7.095 -1.065 -6.660) 9.789 15.430 ( -9.398 -2.327 7.211) 12.072 15.923 ( 14.423 11.852 2.453) 18.828 16.143 ( -11.111 8.798 -3.092) 14.506 16.714 ( 6.692 3.391 -1.181) 7.594 16.856 ( -10.854 -0.204 1.455) 10.953 17.563 ( 26.602 0.884 -12.670) 29.478 17.887 ( -13.733 -5.882 5.695) 15.988 18.197 ( 6.976 -0.851 -3.762) 7.971 18.384 ( -18.778 5.471 9.059) 21.555 19.371 ( 3.797 4.105 -6.467) 8.549 19.419 ( -3.709 3.559 2.079) 5.545 20.693 ( 4.668 -1.305 -7.413) 8.857 20.737 ( -3.271 -0.383 9.970) 10.500 21.401 ( 1.015 -5.494 4.385) 7.102 21.434 ( -1.969 -7.145 -3.175) 8.063 21.960 ( 8.911 -6.114 0.792) 10.835 22.098 ( -7.825 -6.422 -0.439) 10.133 22.429 ( 1.073 -3.387 3.488) 4.979 22.447 ( 0.127 -2.695 -4.180) 4.975 ======================= Grid point 228 (101/117) ======================= q-point: (-0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 0.651 8.037 -15.912) 17.839 1.218 ( -0.651 8.037 15.912) 17.839 1.693 ( -0.029 13.249 -9.261) 16.166 1.693 ( 0.029 13.249 9.261) 16.166 2.033 ( 2.501 13.309 -20.005) 24.157 2.033 ( -2.501 13.309 20.005) 24.157 2.907 ( 0.410 7.223 -8.806) 11.397 2.907 ( -0.410 7.223 8.806) 11.397 3.172 ( 0.459 -3.004 -4.372) 5.324 3.172 ( -0.459 -3.004 4.372) 5.324 3.466 ( 0.469 -4.429 -7.425) 8.658 3.466 ( -0.469 -4.429 7.425) 8.658 3.746 ( -4.599 4.409 -0.899) 6.435 3.746 ( 4.599 4.409 0.899) 6.435 4.248 ( -2.384 4.855 -6.319) 8.318 4.248 ( 2.384 4.855 6.319) 8.318 4.767 ( 6.520 -2.060 -10.766) 12.754 4.767 ( -6.520 -2.060 10.766) 12.754 5.256 ( 1.017 0.454 -2.856) 3.065 5.256 ( -1.017 0.454 2.856) 3.065 5.543 ( 3.007 -1.183 -6.189) 6.982 5.543 ( -3.007 -1.183 6.189) 6.982 5.737 ( 2.418 1.716 -6.300) 6.963 5.737 ( -2.418 1.716 6.300) 6.963 6.588 ( 2.826 2.347 -9.047) 9.764 6.588 ( -2.826 2.347 9.047) 9.764 7.040 ( -5.877 -1.907 -6.315) 8.834 7.040 ( 5.877 -1.907 6.315) 8.834 7.437 ( 4.628 -1.053 -7.184) 8.611 7.437 ( -4.628 -1.053 7.184) 8.611 8.036 ( 3.129 -6.085 -13.384) 15.031 8.036 ( -3.129 -6.085 13.384) 15.031 8.729 ( 2.290 -7.502 -3.872) 8.747 8.729 ( -2.290 -7.502 3.872) 8.747 9.197 ( 1.342 2.311 -9.863) 10.219 9.197 ( -1.342 2.311 9.863) 10.219 9.415 ( 0.622 -3.369 -2.200) 4.072 9.415 ( -0.622 -3.369 2.200) 4.072 9.790 ( 7.634 -5.037 -12.698) 15.649 9.790 ( -7.634 -5.037 12.698) 15.649 10.330 ( -11.183 0.434 -5.343) 12.402 10.330 ( 11.183 0.434 5.343) 12.402 10.452 ( 1.309 -1.407 -4.287) 4.698 10.452 ( -1.309 -1.407 4.287) 4.698 10.940 ( 2.249 7.528 -1.254) 7.956 10.940 ( -2.249 7.528 1.254) 7.956 11.475 ( 2.205 -6.175 -5.161) 8.345 11.475 ( -2.205 -6.175 5.161) 8.345 11.676 ( 10.694 3.081 -7.588) 13.470 11.676 ( -10.694 3.081 7.588) 13.470 12.274 ( -5.682 6.162 -2.238) 8.675 12.274 ( 5.682 6.162 2.238) 8.675 12.442 ( 0.959 -7.529 -7.693) 10.807 12.442 ( -0.959 -7.529 7.693) 10.807 14.390 ( -0.399 1.924 -4.194) 4.632 14.390 ( 0.399 1.924 4.194) 4.632 14.901 ( -5.992 -3.679 -2.538) 7.475 14.901 ( 5.992 -3.679 2.538) 7.475 15.426 ( 7.522 -3.807 -7.196) 11.084 15.426 ( -7.522 -3.807 7.196) 11.084 15.853 ( -11.914 8.163 -8.004) 16.511 15.853 ( 11.914 8.163 8.004) 16.511 16.691 ( -14.804 7.040 -0.075) 16.393 16.691 ( 14.804 7.040 0.075) 16.393 17.772 ( 30.061 0.593 -12.428) 32.534 17.772 ( -30.061 0.593 12.428) 32.534 18.240 ( 0.723 0.375 -2.023) 2.181 18.240 ( -0.723 0.375 2.023) 2.181 19.287 ( 2.387 6.718 -11.896) 13.869 19.287 ( -2.387 6.718 11.896) 13.869 20.729 ( 3.594 -0.311 -13.152) 13.638 20.729 ( -3.594 -0.311 13.152) 13.638 21.582 ( -2.202 -10.348 -2.977) 10.990 21.582 ( 2.202 -10.348 2.977) 10.990 22.121 ( -1.457 -1.966 -6.873) 7.296 22.121 ( 1.457 -1.966 6.873) 7.296 22.563 ( -6.437 -10.698 -1.758) 12.609 22.563 ( 6.437 -10.698 1.758) 12.609 ======================= Grid point 232 (102/117) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 7.507 -0.000 -10.819) 13.168 1.278 ( 9.353 -0.000 10.351) 13.950 1.427 ( 17.118 -0.000 -9.442) 19.550 1.595 ( 10.496 -0.000 6.432) 12.310 2.147 ( 20.165 -0.000 -25.398) 32.430 2.150 ( 18.865 -0.000 19.344) 27.020 2.674 ( -1.667 0.000 7.786) 7.962 2.741 ( -1.952 0.000 -3.285) 3.821 3.165 ( -8.484 0.000 2.300) 8.790 3.244 ( -3.292 0.000 5.758) 6.633 3.493 ( -4.570 0.000 -1.881) 4.943 3.546 ( -2.923 0.000 0.607) 2.985 3.615 ( 0.224 -0.000 -4.039) 4.045 3.874 ( 14.272 -0.000 3.578) 14.714 4.065 ( -0.801 0.000 -6.932) 6.978 4.288 ( -10.756 0.000 11.651) 15.856 4.417 ( 9.485 -0.000 1.484) 9.600 5.002 ( -1.155 0.000 0.883) 1.454 5.324 ( 2.482 -0.000 -2.615) 3.606 5.419 ( 11.799 -0.000 -2.119) 11.988 5.587 ( -5.618 0.000 -13.178) 14.325 5.667 ( 5.754 -0.000 -0.967) 5.834 5.832 ( 11.003 -0.000 -9.554) 14.572 5.922 ( 3.370 -0.000 6.850) 7.634 6.390 ( -2.697 0.000 13.886) 14.145 6.701 ( 3.408 -0.000 2.641) 4.312 6.907 ( 1.118 -0.000 -5.317) 5.434 7.124 ( 12.236 -0.000 -2.028) 12.403 7.461 ( -4.085 0.000 10.505) 11.271 7.663 ( -3.177 0.000 -0.189) 3.183 7.908 ( -10.908 0.000 0.960) 10.950 8.176 ( 0.201 -0.000 -12.719) 12.720 8.522 ( -9.716 0.000 -2.196) 9.961 8.877 ( -1.397 0.000 5.174) 5.359 8.977 ( -15.936 0.000 2.654) 16.155 9.249 ( -15.740 0.000 2.682) 15.967 9.350 ( -6.645 0.000 -5.370) 8.543 9.479 ( 0.606 -0.000 -2.465) 2.538 9.619 ( 0.686 -0.000 0.490) 0.843 9.673 ( -15.918 0.000 4.170) 16.455 9.944 ( -9.801 0.000 11.350) 14.996 10.120 ( -11.785 0.000 -5.014) 12.807 10.242 ( -8.112 0.000 8.725) 11.914 10.423 ( -5.248 0.000 -7.262) 8.960 10.677 ( 6.491 -0.000 6.000) 8.840 10.876 ( -0.571 0.000 -4.481) 4.517 11.132 ( -20.734 0.000 5.226) 21.383 11.256 ( -2.895 0.000 -0.686) 2.975 11.790 ( -9.460 0.000 2.118) 9.695 11.852 ( -2.478 0.000 1.430) 2.861 12.028 ( 10.839 -0.000 1.795) 10.986 12.317 ( 5.259 -0.000 -4.827) 7.138 12.616 ( 6.420 -0.000 14.533) 15.888 12.998 ( 6.089 -0.000 -5.732) 8.363 14.143 ( -5.576 0.000 0.674) 5.617 14.217 ( -5.946 0.000 5.256) 7.936 14.986 ( 8.239 -0.000 4.815) 9.543 15.068 ( 1.306 -0.000 -8.576) 8.675 15.370 ( 6.191 -0.000 -4.878) 7.882 15.526 ( 4.954 -0.000 4.320) 6.573 15.739 ( -2.053 0.000 -2.089) 2.928 15.962 ( -3.592 0.000 -3.053) 4.714 16.056 ( -0.054 0.000 5.015) 5.015 16.688 ( -24.872 0.000 23.667) 34.333 18.178 ( 6.632 -0.000 5.513) 8.624 18.181 ( 3.330 -0.000 -1.507) 3.656 18.417 ( 20.113 -0.000 7.774) 21.563 18.421 ( 11.559 -0.000 -3.998) 12.231 19.197 ( 3.151 -0.000 13.864) 14.218 19.351 ( 19.968 -0.000 11.248) 22.918 20.656 ( -6.295 0.000 9.285) 11.217 20.757 ( 2.445 -0.000 -17.452) 17.622 21.803 ( -15.943 0.000 -16.358) 22.842 21.831 ( -5.977 0.000 5.590) 8.184 22.002 ( 0.579 -0.000 -6.166) 6.193 22.068 ( 2.574 -0.000 0.737) 2.678 22.254 ( -5.677 0.000 -11.083) 12.452 22.991 ( -10.828 0.000 -0.365) 10.834 ======================= Grid point 233 (103/117) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 9.718 -2.532 -2.290) 10.300 1.520 ( 11.811 -10.021 -1.072) 15.526 1.571 ( 14.705 -7.071 0.801) 16.337 1.848 ( 12.789 -12.069 0.268) 17.587 2.246 ( 17.378 0.652 -16.739) 24.137 2.341 ( 14.069 -2.198 13.162) 19.391 2.679 ( -3.955 -1.892 1.512) 4.638 2.816 ( 2.206 -8.396 0.961) 8.734 3.075 ( -10.035 1.568 2.964) 10.580 3.211 ( -4.024 0.757 4.720) 6.249 3.414 ( -1.486 4.204 -4.075) 6.041 3.547 ( -2.406 -2.154 1.492) 3.557 3.607 ( -0.201 0.929 -1.457) 1.740 3.988 ( 13.358 0.037 -2.766) 13.641 4.072 ( -4.430 -2.625 2.019) 5.531 4.260 ( -1.692 -1.732 6.035) 6.503 4.505 ( 4.885 -1.814 1.161) 5.339 5.044 ( 3.233 -2.821 0.552) 4.326 5.333 ( 2.540 0.824 -2.109) 3.403 5.374 ( -11.498 8.382 -5.026) 15.091 5.507 ( 10.033 0.736 -2.939) 10.481 5.752 ( 10.744 -0.721 -2.429) 11.039 5.936 ( 8.567 -2.745 -8.905) 12.658 5.962 ( 7.108 0.700 3.963) 8.168 6.404 ( -0.028 -1.637 7.847) 8.016 6.731 ( 0.019 -1.419 6.448) 6.602 6.927 ( 3.003 0.035 -8.124) 8.661 7.265 ( 6.548 -3.356 2.542) 7.785 7.397 ( 0.421 4.601 6.820) 8.238 7.626 ( -2.885 0.510 0.102) 2.932 7.784 ( -8.820 3.908 1.094) 9.709 8.133 ( -0.581 3.099 -14.415) 14.756 8.453 ( -10.390 -1.971 -2.987) 10.989 8.787 ( -9.801 6.926 -0.540) 12.013 8.822 ( -8.012 2.748 4.838) 9.754 9.160 ( -16.262 -2.933 -2.168) 16.666 9.221 ( -11.970 5.919 -2.915) 13.668 9.424 ( -9.543 2.142 5.384) 11.165 9.539 ( -0.578 -0.099 -0.475) 0.754 9.673 ( -6.786 -3.547 3.424) 8.387 9.907 ( -3.227 -1.270 12.016) 12.507 10.131 ( -8.409 -8.587 -6.527) 13.677 10.219 ( -5.078 -0.753 5.681) 7.657 10.409 ( -5.679 -3.578 -4.598) 8.136 10.723 ( 2.573 -0.331 3.503) 4.359 10.895 ( 3.772 -1.320 0.209) 4.002 11.048 ( -17.732 -5.941 4.898) 19.331 11.268 ( -2.000 -3.163 -2.257) 4.370 11.682 ( -10.065 2.715 5.068) 11.592 11.798 ( -8.172 -0.259 -0.515) 8.192 12.137 ( 13.744 -0.822 1.683) 13.871 12.392 ( 6.364 -2.712 -4.585) 8.300 12.681 ( 8.478 1.783 12.342) 15.079 12.965 ( 6.114 6.577 -7.354) 11.606 14.168 ( -2.139 -5.882 -1.250) 6.382 14.274 ( -6.560 -8.979 3.863) 11.772 14.917 ( 7.172 7.412 -3.057) 10.757 15.171 ( 0.818 0.139 -0.744) 1.114 15.309 ( 6.225 3.428 -5.218) 8.817 15.505 ( 2.817 6.471 1.684) 7.256 15.757 ( 4.238 -0.979 -4.796) 6.475 15.980 ( -7.328 -4.592 6.340) 10.722 16.159 ( -1.895 -10.244 -0.056) 10.418 16.553 ( -19.333 -2.068 20.837) 28.499 18.077 ( 11.006 9.571 -1.109) 14.628 18.221 ( -0.194 1.368 0.543) 1.485 18.403 ( 10.378 7.082 -2.191) 12.754 18.630 ( 8.390 -5.110 0.968) 9.872 19.242 ( 3.127 -0.034 13.247) 13.611 19.545 ( 15.120 -0.649 14.942) 21.267 20.598 ( -7.227 0.969 4.459) 8.547 20.746 ( 1.433 0.634 -17.367) 17.438 21.531 ( -9.285 8.221 -14.773) 19.288 21.759 ( -6.752 3.791 1.668) 7.921 21.938 ( 4.434 4.283 -3.948) 7.320 22.217 ( 1.197 -4.501 -0.110) 4.658 22.241 ( -2.186 -4.592 -4.677) 6.909 22.795 ( -11.195 9.851 2.387) 15.101 ======================= Grid point 234 (104/117) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 12.348 -3.833 3.017) 13.277 1.716 ( 12.499 -2.413 -9.332) 15.784 1.914 ( 11.127 -12.205 9.835) 19.222 2.169 ( 14.725 -10.164 -7.013) 19.218 2.372 ( 8.491 -3.317 -7.411) 11.748 2.463 ( 4.368 -1.977 10.482) 11.527 2.730 ( -2.756 -5.577 -1.440) 6.385 2.973 ( -8.139 0.395 2.055) 8.403 3.066 ( 5.880 -12.193 -0.506) 13.546 3.173 ( -3.671 -0.073 4.453) 5.771 3.347 ( 2.205 1.335 -4.741) 5.397 3.554 ( -0.782 2.120 -2.804) 3.601 3.605 ( -1.053 -3.027 4.006) 5.131 4.036 ( -4.206 -1.974 -5.592) 7.270 4.113 ( 7.286 0.781 9.298) 11.839 4.328 ( 3.431 -3.423 -3.397) 5.919 4.533 ( -0.735 0.873 0.637) 1.307 5.074 ( -11.053 4.391 11.815) 16.764 5.172 ( 2.502 -0.419 -11.680) 11.952 5.346 ( 1.314 -0.379 -0.569) 1.481 5.593 ( 12.592 -0.630 -1.099) 12.656 5.842 ( 8.929 -0.651 0.035) 8.953 5.986 ( 3.335 1.070 2.649) 4.392 6.055 ( 11.032 -1.207 -8.651) 14.071 6.474 ( 0.591 -4.525 3.595) 5.810 6.788 ( 0.080 -3.574 6.565) 7.476 6.894 ( 5.669 5.990 -6.453) 10.471 7.252 ( -1.336 3.645 -0.653) 3.937 7.349 ( -3.323 4.275 8.541) 10.112 7.588 ( 0.825 2.393 -6.487) 6.964 7.713 ( -0.248 -1.410 3.042) 3.362 8.005 ( -1.207 7.574 -13.850) 15.832 8.422 ( -8.252 -0.934 -0.892) 8.353 8.524 ( -13.397 8.653 -0.108) 15.949 8.784 ( -1.897 -2.921 2.551) 4.317 8.969 ( -16.280 4.593 3.591) 17.292 9.082 ( -10.746 -0.405 -3.727) 11.381 9.375 ( -9.237 -2.872 1.861) 9.851 9.558 ( 2.118 0.163 0.460) 2.174 9.704 ( -6.014 -5.546 1.869) 8.391 9.942 ( 0.607 -0.488 10.516) 10.545 10.166 ( -5.115 0.590 -0.015) 5.149 10.257 ( -4.923 -9.290 -4.612) 11.481 10.430 ( -5.950 -3.307 -1.170) 6.908 10.768 ( 0.952 -2.913 -3.447) 4.613 10.952 ( 2.016 -0.769 11.849) 12.044 11.074 ( -13.842 -9.185 0.941) 16.638 11.325 ( -1.940 -4.199 -0.892) 4.711 11.572 ( -6.661 1.475 2.298) 7.199 11.763 ( -8.249 -2.831 -1.133) 8.794 12.269 ( 12.490 -1.463 1.188) 12.631 12.472 ( 5.464 -0.603 -4.028) 6.815 12.696 ( 6.420 3.669 7.681) 10.662 12.875 ( 6.725 6.596 -5.743) 11.033 14.304 ( 0.824 -8.161 -1.996) 8.442 14.418 ( -4.963 -9.709 1.954) 11.078 14.845 ( 6.179 5.304 -1.402) 8.263 15.070 ( 0.430 6.633 -1.414) 6.796 15.278 ( 1.940 4.851 -5.047) 7.264 15.471 ( 0.057 1.892 3.341) 3.840 15.760 ( 3.598 -1.788 0.889) 4.115 16.086 ( -4.646 -9.034 3.241) 10.663 16.344 ( -4.049 -10.963 -0.094) 11.687 16.508 ( -10.001 -2.992 13.050) 16.712 18.009 ( 15.872 8.126 -6.338) 18.924 18.162 ( 0.422 4.734 1.660) 5.035 18.302 ( 7.857 10.703 -5.228) 14.269 18.784 ( 2.958 -6.619 0.296) 7.256 19.261 ( 0.751 1.538 12.188) 12.307 19.593 ( 2.353 3.691 6.017) 7.441 20.546 ( -3.724 -0.224 4.092) 5.537 20.720 ( 0.045 0.518 -15.770) 15.779 21.383 ( -0.857 2.250 -6.646) 7.069 21.628 ( -3.971 5.213 1.163) 6.656 21.869 ( 3.932 5.840 -2.039) 7.330 22.255 ( 1.328 -1.625 -3.151) 3.786 22.336 ( -3.914 -4.022 2.729) 6.240 22.500 ( -7.728 11.710 2.185) 14.200 ======================= Grid point 235 (105/117) ======================= q-point: ( 0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 9.675 -4.430 3.979) 11.361 1.809 ( 6.821 -0.573 -6.769) 9.627 2.173 ( 11.598 -4.572 6.201) 13.924 2.396 ( 9.315 -1.383 -7.185) 11.845 2.464 ( 4.448 -4.058 0.427) 6.036 2.594 ( 4.389 -6.284 3.643) 8.487 2.762 ( -7.248 -2.263 2.436) 7.974 2.960 ( -5.625 -4.615 -3.742) 8.181 3.157 ( 3.647 -0.370 2.018) 4.184 3.284 ( 7.998 -1.051 0.632) 8.091 3.452 ( 0.393 -6.233 -3.061) 6.955 3.487 ( -2.176 -1.855 -1.575) 3.264 3.668 ( 1.451 -2.131 1.900) 3.203 4.027 ( -6.186 -2.126 -2.708) 7.079 4.129 ( 5.226 3.763 8.160) 10.395 4.368 ( 1.963 2.485 -7.277) 7.936 4.517 ( -2.926 -2.752 -1.224) 4.199 4.896 ( -15.960 2.183 12.222) 20.221 5.237 ( 5.479 -1.953 -8.529) 10.324 5.376 ( -0.220 -2.646 1.391) 2.997 5.718 ( 11.159 -1.791 0.106) 11.302 5.911 ( 7.185 0.810 1.280) 7.343 5.963 ( 1.230 3.310 2.500) 4.327 6.119 ( 2.973 0.103 -7.361) 7.939 6.588 ( 3.687 -4.338 3.690) 6.784 6.801 ( 4.829 3.827 1.663) 6.382 6.859 ( 5.071 1.039 -0.896) 5.253 7.088 ( -13.128 7.939 -2.838) 15.602 7.323 ( 11.058 -0.993 -2.337) 11.345 7.537 ( 1.657 4.449 4.520) 6.555 7.777 ( -3.549 -5.803 -1.713) 7.015 7.807 ( 0.150 10.974 -13.689) 17.545 8.204 ( -4.001 10.391 5.855) 12.580 8.416 ( -12.602 -2.007 -5.761) 14.001 8.862 ( -8.231 -2.757 8.699) 12.289 8.886 ( -0.910 -6.464 0.101) 6.529 9.030 ( -5.877 -2.473 -2.650) 6.905 9.357 ( -6.950 -2.050 -0.257) 7.250 9.556 ( 1.864 0.949 1.674) 2.680 9.784 ( -2.117 -4.897 -2.856) 6.051 9.903 ( -3.294 4.142 14.148) 15.105 10.168 ( 0.045 -3.250 -5.831) 6.676 10.353 ( -6.610 -4.186 -5.227) 9.409 10.483 ( -6.757 -9.482 2.334) 11.875 10.822 ( 3.988 -1.250 -10.239) 11.059 10.983 ( -4.887 -1.872 18.028) 18.772 11.148 ( -8.172 -6.970 1.103) 10.797 11.371 ( -3.620 -2.260 0.845) 4.351 11.541 ( -1.690 -1.768 -2.410) 3.434 11.760 ( -7.733 -3.313 0.023) 8.413 12.379 ( 9.921 -0.263 0.966) 9.972 12.480 ( 5.630 3.736 -3.019) 7.401 12.697 ( 5.153 1.391 4.064) 6.708 12.806 ( 5.004 5.298 -3.284) 7.993 14.454 ( 2.235 -5.764 -0.986) 6.260 14.541 ( -2.378 -5.633 0.267) 6.120 14.812 ( 4.185 2.861 0.999) 5.166 14.951 ( -0.216 5.944 -1.214) 6.070 15.218 ( 1.742 1.329 -5.600) 6.013 15.385 ( -6.978 2.070 7.040) 10.126 15.933 ( 7.988 -8.671 -1.021) 11.834 16.213 ( -4.961 -7.686 2.525) 9.490 16.499 ( -4.291 -7.391 8.072) 11.756 16.538 ( -2.260 -5.421 -1.393) 6.036 17.982 ( 12.981 8.158 -8.227) 17.399 18.075 ( 4.934 4.853 1.146) 7.015 18.116 ( 7.696 13.707 -7.075) 17.239 18.907 ( -6.890 -5.627 6.245) 10.869 19.232 ( 1.593 2.307 6.020) 6.641 19.510 ( -3.665 3.296 -0.021) 4.929 20.555 ( -0.212 -1.260 6.194) 6.324 20.698 ( -1.133 -0.572 -12.477) 12.542 21.372 ( 1.427 -0.305 -1.605) 2.169 21.509 ( -2.064 4.753 0.465) 5.203 21.789 ( 4.651 5.515 -0.039) 7.214 22.188 ( -9.230 8.998 2.523) 13.135 22.303 ( 2.078 -1.682 -2.116) 3.410 22.400 ( -1.817 -1.009 0.845) 2.243 ======================= Grid point 236 (106/117) ======================= q-point: ( 0.60 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 5.521 -1.492 2.234) 6.140 1.829 ( -0.132 0.704 -4.312) 4.371 2.285 ( 10.192 2.643 2.240) 10.765 2.456 ( 5.621 -0.391 2.450) 6.144 2.529 ( 2.535 1.378 -1.570) 3.285 2.619 ( -5.052 2.611 0.545) 5.713 2.859 ( 3.057 -8.308 -0.162) 8.854 3.007 ( -5.247 -5.084 -1.075) 7.385 3.192 ( 5.381 2.952 -0.926) 6.206 3.337 ( -0.013 3.847 1.036) 3.984 3.387 ( 5.698 -0.220 -3.279) 6.577 3.630 ( -5.448 -5.203 -0.159) 7.535 3.719 ( 5.797 -0.914 0.205) 5.872 3.969 ( -5.048 4.160 0.714) 6.580 4.144 ( 3.442 -2.401 4.138) 5.894 4.328 ( 2.058 0.211 -3.084) 3.713 4.531 ( -4.811 -0.792 -4.831) 6.864 4.769 ( -16.354 -0.971 10.373) 19.391 5.317 ( 5.967 -2.783 -6.799) 9.464 5.449 ( -2.694 -5.112 3.391) 6.700 5.796 ( 7.047 2.090 0.864) 7.401 5.899 ( 4.056 5.353 0.755) 6.759 5.916 ( -0.640 1.461 1.431) 2.143 6.053 ( -3.097 6.150 -4.400) 8.172 6.643 ( 5.129 2.666 3.698) 6.862 6.822 ( -4.400 6.672 -0.920) 8.045 6.864 ( 3.010 -2.910 2.918) 5.103 6.931 ( 4.186 -5.347 -9.644) 11.795 7.350 ( 1.995 6.716 8.481) 11.001 7.491 ( -1.003 8.720 -4.502) 9.865 7.603 ( 7.815 1.761 -6.186) 10.121 7.868 ( -2.855 -6.948 -0.695) 7.543 8.141 ( 1.596 -2.570 2.214) 3.749 8.322 ( -8.677 1.466 -5.086) 10.164 8.918 ( -5.269 -7.273 9.678) 13.203 8.934 ( -5.289 -3.605 -9.508) 11.462 9.110 ( 5.877 -3.598 3.983) 7.959 9.341 ( -5.198 -1.130 -2.064) 5.706 9.601 ( 4.107 -2.990 0.758) 5.136 9.796 ( 8.599 6.182 9.043) 13.926 9.852 ( -9.847 -3.934 0.123) 10.605 10.217 ( -7.399 -3.942 -2.735) 8.819 10.372 ( 1.270 -3.175 -6.834) 7.642 10.623 ( -10.308 -9.559 4.205) 14.673 10.863 ( 6.384 -0.576 -14.032) 15.427 10.989 ( -6.452 -1.640 17.488) 18.713 11.208 ( -3.670 -4.152 1.235) 5.678 11.356 ( -5.868 -0.624 0.663) 5.939 11.591 ( 3.022 -2.784 -3.357) 5.306 11.763 ( -7.759 -3.479 2.076) 8.753 12.408 ( 6.356 5.041 -0.817) 8.154 12.450 ( 5.006 2.638 1.194) 5.783 12.711 ( 4.514 2.828 1.733) 5.601 12.748 ( 2.911 3.102 -2.308) 4.839 14.549 ( 1.871 -2.550 -0.050) 3.163 14.602 ( -1.432 -2.659 -0.041) 3.020 14.769 ( 2.230 4.591 0.798) 5.165 14.836 ( -1.025 5.303 -0.725) 5.450 15.246 ( 2.091 -2.668 -4.944) 5.995 15.347 ( -6.214 -2.439 6.453) 9.285 16.143 ( 8.051 -5.685 -3.105) 10.333 16.310 ( -5.381 -6.345 4.979) 9.696 16.590 ( 1.044 -4.090 3.848) 5.712 16.655 ( -2.325 -7.004 -2.343) 7.743 17.837 ( 5.593 12.150 -3.939) 13.943 17.904 ( -0.304 9.097 -1.710) 9.261 18.117 ( 20.586 3.254 -9.758) 23.012 18.829 ( -21.615 2.399 14.993) 26.415 19.281 ( 7.020 -3.138 -4.559) 8.939 19.444 ( -3.611 0.388 0.999) 3.766 20.592 ( 1.504 -1.271 4.837) 5.223 20.694 ( -2.240 -1.444 -7.305) 7.776 21.382 ( 0.594 0.830 1.134) 1.526 21.419 ( -0.538 3.387 -1.034) 3.582 21.750 ( 5.597 2.489 0.903) 6.192 21.985 ( -7.315 4.851 0.379) 8.785 22.351 ( 1.418 -1.904 -1.867) 3.020 22.399 ( -1.770 -0.310 1.305) 2.221 ======================= Grid point 237 (107/117) ======================= q-point: (-0.30 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 3.575 2.858 -0.459) 4.600 1.776 ( -3.395 2.870 -2.079) 4.908 2.247 ( 10.249 9.616 1.473) 14.131 2.397 ( -8.194 9.285 3.667) 12.915 2.484 ( 2.880 2.447 9.795) 10.498 2.542 ( -0.467 3.063 -11.572) 11.980 3.019 ( 3.372 -3.985 -3.096) 6.070 3.065 ( -3.182 -3.488 1.930) 5.101 3.137 ( 4.059 3.582 0.644) 5.452 3.215 ( -4.683 3.400 -2.478) 6.295 3.465 ( 9.342 2.179 -1.301) 9.680 3.609 ( -8.331 2.329 2.180) 8.921 3.765 ( 5.139 0.377 1.559) 5.383 3.856 ( -4.866 1.034 -0.866) 5.049 4.262 ( 5.940 -4.746 0.950) 7.663 4.379 ( -4.940 -4.203 -0.531) 6.508 4.508 ( 6.034 -0.240 -4.290) 7.408 4.691 ( -15.175 -2.667 6.350) 16.665 5.398 ( 5.428 -0.307 -4.140) 6.834 5.476 ( -5.290 0.677 4.077) 6.713 5.730 ( 6.141 10.174 -1.596) 11.990 5.807 ( -2.929 10.961 -0.902) 11.382 5.862 ( 2.992 -0.745 0.984) 3.236 5.932 ( -5.161 -0.471 -0.547) 5.212 6.615 ( 2.537 3.094 3.117) 5.072 6.665 ( -3.221 4.219 -3.530) 6.374 6.966 ( 8.944 1.830 4.869) 10.347 7.096 ( -2.952 -5.983 -7.756) 10.231 7.238 ( 1.767 4.046 -4.920) 6.610 7.299 ( -5.726 -2.392 8.158) 10.250 7.741 ( 14.104 -1.558 -2.932) 14.489 7.945 ( -10.094 -2.016 0.676) 10.316 8.174 ( 6.634 -1.364 4.976) 8.404 8.312 ( -6.383 -6.066 -6.166) 10.749 9.006 ( 4.219 -7.278 -3.982) 9.308 9.080 ( -4.636 -11.760 -0.287) 12.644 9.222 ( 6.547 -2.583 3.495) 7.858 9.322 ( -5.063 -1.880 -0.617) 5.436 9.648 ( 3.513 2.418 -4.884) 6.484 9.725 ( -6.607 4.116 11.048) 13.515 9.929 ( 13.947 -3.609 -1.922) 14.534 10.195 ( -16.147 -4.645 0.229) 16.803 10.484 ( 10.487 -2.696 -5.347) 12.077 10.651 ( -9.988 -1.528 5.742) 11.622 10.913 ( 7.431 -1.062 -19.911) 21.280 11.006 ( -9.648 -4.823 17.983) 20.970 11.251 ( 0.349 -1.783 1.396) 2.291 11.321 ( -6.025 -0.781 0.788) 6.126 11.677 ( 6.037 -2.632 -4.998) 8.267 11.776 ( -7.758 -3.622 4.868) 9.849 12.347 ( 6.281 5.525 0.318) 8.371 12.409 ( -0.923 3.793 0.387) 3.923 12.663 ( 4.701 5.230 -0.242) 7.036 12.707 ( -0.567 3.488 -0.231) 3.541 14.571 ( 1.730 2.245 -0.522) 2.882 14.602 ( -2.275 2.304 0.562) 3.286 14.722 ( 1.848 0.336 1.285) 2.276 14.755 ( -1.684 0.921 -1.029) 2.178 15.307 ( 3.390 -1.556 -5.066) 6.291 15.363 ( -5.275 -2.486 5.708) 8.160 16.245 ( 8.437 1.717 -1.745) 8.785 16.353 ( -5.999 -0.938 2.581) 6.598 16.683 ( 3.463 -3.413 -0.767) 4.922 16.742 ( -4.077 -4.879 1.031) 6.441 17.680 ( 8.564 7.660 -5.182) 12.604 17.772 ( -4.269 2.955 1.805) 5.497 18.224 ( 21.625 2.387 -11.653) 24.681 18.581 ( -25.216 4.635 14.711) 29.559 19.390 ( 4.814 -2.979 -7.565) 9.449 19.433 ( -2.653 -1.129 4.913) 5.697 20.639 ( 3.186 -1.373 1.279) 3.697 20.696 ( -3.370 -1.594 -1.288) 3.944 21.351 ( 0.606 1.959 0.845) 2.218 21.367 ( -1.076 1.839 -0.828) 2.286 21.790 ( 6.512 -1.559 0.360) 6.705 21.899 ( -6.628 -1.436 -0.027) 6.782 22.386 ( 0.602 -0.882 0.149) 1.078 22.397 ( -0.668 -0.781 -0.421) 1.111 ======================= Grid point 238 (108/117) ======================= q-point: (-0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 107 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 2.938 8.683 -2.026) 9.388 1.640 ( -2.938 8.683 2.026) 9.388 2.113 ( -7.568 11.844 -1.568) 14.142 2.113 ( 7.568 11.844 1.568) 14.142 2.433 ( -1.272 5.877 -11.877) 13.313 2.433 ( 1.272 5.877 11.877) 13.313 3.035 ( 0.834 2.096 -2.348) 3.255 3.035 ( -0.834 2.096 2.348) 3.255 3.191 ( -1.578 -2.537 -3.124) 4.322 3.191 ( 1.578 -2.537 3.124) 4.322 3.436 ( 2.742 6.238 -4.140) 7.973 3.436 ( -2.742 6.238 4.140) 7.973 3.829 ( -4.847 -1.106 -5.571) 7.467 3.829 ( 4.847 -1.106 5.571) 7.467 4.375 ( -3.607 -0.842 -1.648) 4.054 4.375 ( 3.607 -0.842 1.648) 4.054 4.642 ( 7.026 -3.784 -7.360) 10.856 4.642 ( -7.026 -3.784 7.360) 10.856 5.366 ( -0.961 6.069 -5.483) 8.236 5.366 ( 0.961 6.069 5.483) 8.236 5.601 ( 2.278 6.172 -5.239) 8.411 5.601 ( -2.278 6.172 5.239) 8.411 5.893 ( -0.533 1.903 -5.596) 5.934 5.893 ( 0.533 1.903 5.596) 5.934 6.607 ( -0.659 -0.536 -4.948) 5.021 6.607 ( 0.659 -0.536 4.948) 5.021 6.964 ( -8.018 4.076 -3.449) 9.633 6.964 ( 8.018 4.076 3.449) 9.633 7.405 ( 5.506 -8.251 -17.018) 19.697 7.405 ( -5.506 -8.251 17.018) 19.697 7.836 ( 1.714 0.387 -6.015) 6.266 7.836 ( -1.714 0.387 6.015) 6.266 8.371 ( -9.953 -8.405 -4.156) 13.674 8.371 ( 9.953 -8.405 4.156) 13.674 9.228 ( -6.965 -7.279 0.360) 10.081 9.228 ( 6.965 -7.279 -0.360) 10.081 9.341 ( 2.405 -4.462 -2.896) 5.838 9.341 ( -2.405 -4.462 2.896) 5.838 9.591 ( 6.566 3.945 -13.081) 15.159 9.591 ( -6.566 3.945 13.081) 15.159 10.157 ( -15.828 -5.786 -0.723) 16.868 10.157 ( 15.828 -5.786 0.723) 16.868 10.560 ( 10.124 3.019 -7.953) 13.224 10.560 ( -10.124 3.019 7.953) 13.224 11.024 ( 13.850 -3.683 -18.116) 23.099 11.024 ( -13.850 -3.683 18.116) 23.099 11.299 ( -2.399 -1.688 -3.279) 4.400 11.299 ( 2.399 -1.688 3.279) 4.400 11.762 ( 7.781 -0.439 -7.638) 10.912 11.762 ( -7.781 -0.439 7.638) 10.912 12.316 ( -4.813 2.434 -1.915) 5.723 12.316 ( 4.813 2.434 1.915) 5.723 12.589 ( -4.154 6.471 -0.677) 7.719 12.589 ( 4.154 6.471 0.677) 7.719 14.510 ( -0.038 4.420 -0.793) 4.491 14.510 ( 0.038 4.420 0.793) 4.491 14.771 ( -1.051 -3.004 -1.997) 3.757 14.771 ( 1.051 -3.004 1.997) 3.757 15.353 ( 5.583 -0.453 -6.546) 8.616 15.353 ( -5.583 -0.453 6.546) 8.616 16.220 ( -4.721 7.860 -6.661) 11.333 16.220 ( 4.721 7.860 6.661) 11.333 16.773 ( 1.175 -2.064 -5.767) 6.237 16.773 ( -1.175 -2.064 5.767) 6.237 17.705 ( 13.413 -1.367 -6.261) 14.865 17.705 ( -13.413 -1.367 6.261) 14.865 18.325 ( 12.111 3.479 -11.935) 17.356 18.325 ( -12.111 3.479 11.935) 17.356 19.435 ( 2.770 0.318 -9.110) 9.527 19.435 ( -2.770 0.318 9.110) 9.527 20.696 ( 2.411 -1.421 -7.425) 7.935 20.696 ( -2.411 -1.421 7.425) 7.935 21.344 ( 0.445 -1.137 -2.155) 2.477 21.344 ( -0.445 -1.137 2.155) 2.477 21.913 ( -1.546 -5.301 -6.995) 8.912 21.913 ( 1.546 -5.301 6.995) 8.912 22.408 ( -0.712 -0.968 -3.584) 3.780 22.408 ( 0.712 -0.968 3.584) 3.780 ======================= Grid point 244 (109/117) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 13.322 -0.000 -14.955) 20.028 1.450 ( 8.127 -0.000 14.838) 16.917 1.712 ( 20.464 -0.000 -7.464) 21.783 1.793 ( 12.641 -0.000 2.114) 12.817 2.360 ( 10.097 -0.000 -16.393) 19.253 2.452 ( 11.538 -0.000 13.637) 17.864 2.692 ( 2.613 -0.000 5.588) 6.169 2.701 ( -1.427 0.000 -1.188) 1.857 3.002 ( -12.101 0.000 4.446) 12.892 3.181 ( -6.426 0.000 4.194) 7.674 3.456 ( 1.413 -0.000 -3.728) 3.987 3.510 ( -1.298 0.000 3.604) 3.831 3.616 ( 0.648 -0.000 -3.790) 3.845 3.965 ( -7.957 0.000 -4.314) 9.052 4.136 ( 14.842 -0.000 6.384) 16.157 4.259 ( 4.447 -0.000 4.342) 6.215 4.523 ( 3.399 -0.000 1.058) 3.560 5.067 ( 8.291 -0.000 -0.799) 8.329 5.338 ( -17.858 0.000 -5.494) 18.684 5.347 ( 1.010 -0.000 -2.102) 2.332 5.611 ( 13.507 -0.000 -1.803) 13.627 5.824 ( 10.038 -0.000 -4.338) 10.935 5.938 ( 4.149 -0.000 -3.303) 5.303 6.046 ( 11.145 -0.000 -1.619) 11.261 6.413 ( 2.090 -0.000 6.321) 6.657 6.692 ( -6.620 0.000 6.354) 9.176 6.952 ( 6.784 -0.000 -9.065) 11.323 7.308 ( 8.258 -0.000 3.323) 8.902 7.452 ( 0.117 -0.000 9.215) 9.215 7.602 ( -3.189 0.000 -0.283) 3.202 7.755 ( -5.834 0.000 -2.364) 6.295 8.136 ( -1.819 0.000 -12.994) 13.121 8.338 ( -12.629 0.000 -4.019) 13.253 8.769 ( -16.447 0.000 -1.165) 16.488 8.782 ( -8.202 0.000 -3.849) 9.060 8.976 ( -13.446 0.000 4.360) 14.136 9.203 ( -9.553 0.000 -5.463) 11.005 9.322 ( -24.198 0.000 13.344) 27.633 9.536 ( 2.095 -0.000 -1.054) 2.345 9.627 ( -0.655 0.000 2.841) 2.916 9.886 ( -1.478 0.000 15.988) 16.057 9.984 ( -2.709 0.000 -9.876) 10.240 10.170 ( -4.706 0.000 8.656) 9.853 10.318 ( -5.379 0.000 -9.148) 10.612 10.765 ( 0.466 -0.000 2.418) 2.462 10.865 ( 0.353 -0.000 -3.826) 3.842 10.924 ( -4.504 0.000 9.704) 10.698 11.220 ( -1.665 0.000 -4.671) 4.958 11.607 ( -11.629 0.000 3.521) 12.150 11.738 ( -10.329 0.000 3.171) 10.805 12.238 ( 12.390 -0.000 2.067) 12.561 12.409 ( 7.076 -0.000 -4.936) 8.627 12.785 ( 8.645 -0.000 13.375) 15.926 13.056 ( 3.238 -0.000 -8.429) 9.030 14.083 ( -2.341 0.000 -1.604) 2.838 14.141 ( -5.148 0.000 5.597) 7.605 15.090 ( 4.040 -0.000 -9.909) 10.701 15.121 ( 6.158 -0.000 5.573) 8.306 15.447 ( 6.134 -0.000 -11.439) 12.980 15.604 ( 3.702 -0.000 3.886) 5.367 15.731 ( 1.515 -0.000 -5.630) 5.830 15.872 ( -7.537 0.000 2.859) 8.061 16.069 ( 0.325 -0.000 4.224) 4.237 16.401 ( -17.075 0.000 20.269) 26.503 18.206 ( 0.731 -0.000 0.190) 0.755 18.214 ( 0.488 -0.000 0.557) 0.741 18.568 ( 7.346 -0.000 -1.718) 7.545 18.625 ( 5.967 -0.000 0.953) 6.043 19.300 ( 5.693 -0.000 14.605) 15.675 19.703 ( 14.393 -0.000 18.438) 23.390 20.551 ( -7.223 0.000 2.250) 7.566 20.743 ( 0.892 -0.000 -18.608) 18.629 21.516 ( -9.896 0.000 -16.386) 19.143 21.732 ( -7.679 0.000 4.023) 8.669 22.051 ( 6.045 -0.000 -6.900) 9.173 22.113 ( 2.619 -0.000 1.535) 3.036 22.225 ( 1.481 -0.000 -4.769) 4.993 22.788 ( -14.278 0.000 3.144) 14.620 ======================= Grid point 245 (110/117) ======================= q-point: ( 0.40 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 14.806 -3.996 -8.769) 17.666 1.677 ( 6.319 -11.450 9.815) 16.351 1.841 ( 18.255 -2.801 -3.275) 18.757 2.056 ( 12.667 -11.529 -0.343) 17.131 2.388 ( 3.554 -0.565 -11.319) 11.877 2.534 ( 5.396 2.107 10.231) 11.757 2.623 ( -2.480 -1.100 0.469) 2.753 2.863 ( -4.456 -7.470 0.934) 8.748 2.922 ( -2.064 -2.061 3.910) 4.878 3.134 ( -5.819 -0.543 2.463) 6.343 3.434 ( 4.534 3.390 -4.355) 7.143 3.540 ( 1.536 -2.285 2.844) 3.958 3.599 ( -0.670 1.685 -1.260) 2.208 3.914 ( -9.933 -2.410 -0.537) 10.235 4.247 ( 13.756 1.501 4.020) 14.410 4.328 ( 8.707 -1.042 -0.778) 8.804 4.541 ( -0.031 0.354 0.464) 0.584 5.102 ( -12.977 5.581 8.548) 16.511 5.167 ( 3.427 -0.802 -11.045) 11.592 5.350 ( 0.021 -0.032 -0.873) 0.873 5.709 ( 15.127 1.241 -1.408) 15.242 5.891 ( 7.206 -0.300 -1.575) 7.383 5.990 ( 2.207 -1.990 -0.053) 2.972 6.142 ( 11.788 -0.122 -6.018) 13.236 6.434 ( 1.032 -0.583 3.012) 3.237 6.679 ( -7.053 -4.808 5.129) 9.959 7.001 ( 7.947 0.874 -8.435) 11.622 7.320 ( -1.044 3.675 5.654) 6.824 7.431 ( 0.453 3.306 6.935) 7.696 7.593 ( 0.837 -0.789 -2.691) 2.926 7.734 ( 3.864 1.064 -2.263) 4.603 8.072 ( -3.798 2.861 -10.301) 11.345 8.251 ( -13.515 -2.840 -5.084) 14.716 8.561 ( -17.403 4.210 -3.397) 18.224 8.727 ( -5.602 -0.629 0.041) 5.637 8.940 ( -9.039 -1.763 1.038) 9.268 9.020 ( -13.051 6.267 5.061) 15.337 9.181 ( -17.038 -2.223 4.829) 17.848 9.564 ( 2.403 -0.975 -1.595) 3.045 9.627 ( -1.962 -0.675 4.158) 4.647 9.929 ( 1.083 -2.303 15.380) 15.589 10.030 ( -0.704 -5.781 -12.060) 13.392 10.172 ( -3.224 -2.065 4.252) 5.722 10.305 ( -5.860 -3.726 -4.272) 8.153 10.758 ( 1.132 0.322 -0.169) 1.189 10.854 ( -7.080 -2.500 1.867) 7.737 10.985 ( 5.466 -2.424 5.974) 8.452 11.226 ( -2.802 -3.103 -3.823) 5.665 11.530 ( -8.381 0.143 3.760) 9.186 11.661 ( -8.948 -0.794 0.852) 9.023 12.339 ( 10.482 -0.870 1.375) 10.607 12.475 ( 4.686 -1.772 -3.345) 6.024 12.832 ( 6.622 3.251 11.191) 13.404 13.015 ( 2.492 4.710 -8.529) 10.057 14.143 ( -0.537 -7.403 -2.772) 7.923 14.197 ( -4.422 -8.470 4.828) 10.705 15.013 ( 6.009 6.804 -3.709) 9.806 15.175 ( -0.643 3.228 1.167) 3.492 15.396 ( 6.971 5.331 -11.250) 14.268 15.566 ( 3.214 5.228 2.762) 6.730 15.771 ( -2.852 1.226 1.943) 3.662 15.884 ( -3.827 -8.669 2.934) 9.920 16.146 ( 0.329 -7.229 -0.135) 7.238 16.361 ( -10.748 -4.812 13.844) 18.175 18.170 ( 3.120 3.098 -1.168) 4.550 18.219 ( -0.292 1.134 0.827) 1.434 18.552 ( 8.501 6.206 -4.330) 11.381 18.701 ( 1.280 -3.542 1.799) 4.174 19.345 ( 5.816 2.305 13.863) 15.209 19.727 ( 2.134 6.270 6.959) 9.607 20.517 ( -2.421 -0.551 5.505) 6.039 20.714 ( -0.322 0.856 -18.303) 18.326 21.417 ( -1.048 2.538 -8.663) 9.087 21.652 ( -7.508 2.214 2.624) 8.255 22.021 ( 6.882 5.165 -4.889) 9.896 22.217 ( -0.926 -4.987 1.791) 5.379 22.244 ( 2.607 -1.198 -3.963) 4.892 22.607 ( -12.680 6.960 3.851) 14.969 ======================= Grid point 246 (111/117) ======================= q-point: ( 0.50 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 13.992 -2.614 -3.091) 14.566 1.842 ( 2.657 -1.394 1.359) 3.294 2.123 ( 13.085 -10.048 4.719) 17.160 2.367 ( 9.463 -10.711 -4.022) 14.847 2.442 ( 2.688 -2.214 -9.162) 9.802 2.522 ( 2.293 -1.687 11.498) 11.845 2.659 ( -6.286 -2.754 -0.346) 6.871 2.828 ( -9.624 -2.514 -0.217) 9.950 3.143 ( 2.805 -6.031 -2.927) 7.267 3.164 ( 1.917 -11.244 4.432) 12.237 3.407 ( 5.446 2.954 -3.395) 7.065 3.531 ( -1.802 3.785 -1.481) 4.446 3.628 ( 3.698 -3.838 3.508) 6.381 3.895 ( -9.725 -3.739 -0.452) 10.429 4.287 ( 8.849 4.453 4.579) 10.913 4.416 ( 9.626 0.054 -7.910) 12.459 4.495 ( -3.362 2.388 -0.260) 4.132 4.859 ( -16.783 5.437 9.678) 20.123 5.240 ( 6.251 -1.486 -6.863) 9.402 5.349 ( -1.286 -0.417 1.569) 2.071 5.802 ( 13.217 0.889 -0.880) 13.276 5.951 ( 4.675 -0.740 1.997) 5.137 6.026 ( 1.812 0.217 -0.794) 1.990 6.155 ( 0.517 3.036 -4.021) 5.064 6.521 ( 5.889 -5.928 2.046) 8.603 6.767 ( -4.024 -6.649 1.731) 7.962 6.991 ( 6.929 5.706 -5.493) 10.523 7.169 ( -6.965 8.313 3.375) 11.358 7.408 ( 9.272 1.495 -1.397) 9.495 7.625 ( 3.131 0.075 -0.813) 3.236 7.714 ( 0.228 2.916 0.054) 2.926 7.953 ( -2.686 5.872 -9.939) 11.852 8.232 ( -11.275 -4.941 -3.791) 12.881 8.338 ( -11.523 6.561 3.746) 13.779 8.739 ( -4.058 -3.212 0.099) 5.177 8.837 ( -1.020 1.548 5.893) 6.177 8.930 ( -7.271 -2.203 -0.567) 7.619 9.155 ( -16.021 -8.109 1.000) 17.984 9.590 ( 1.776 0.306 0.068) 1.803 9.644 ( -2.495 -2.839 1.506) 4.069 9.994 ( 2.140 -0.025 13.711) 13.877 10.104 ( -0.558 -3.038 -11.809) 12.206 10.212 ( -0.726 -4.517 -2.700) 5.313 10.323 ( -7.238 -3.312 2.602) 8.374 10.786 ( 2.205 -2.537 -4.309) 5.465 10.880 ( -7.182 -4.907 6.069) 10.606 11.069 ( 5.212 -1.625 4.253) 6.921 11.270 ( -5.511 -3.903 0.553) 6.776 11.497 ( -1.180 -1.440 -1.106) 2.166 11.638 ( -7.443 -3.183 0.160) 8.097 12.435 ( 7.789 -1.195 0.996) 7.943 12.526 ( 1.939 -0.849 -1.863) 2.820 12.807 ( 5.525 4.573 5.901) 9.288 12.926 ( 1.168 5.006 -5.193) 7.307 14.317 ( 1.343 -9.611 -2.599) 10.046 14.363 ( -2.861 -10.258 2.998) 11.064 14.933 ( 5.108 5.749 -0.174) 7.693 15.054 ( -1.889 6.251 -1.486) 6.697 15.310 ( 4.098 6.339 -8.640) 11.473 15.441 ( -5.424 7.391 8.084) 12.223 15.834 ( 5.804 -7.022 3.545) 9.776 16.033 ( -3.366 -8.392 -1.166) 9.117 16.310 ( 0.253 -9.122 -1.867) 9.314 16.412 ( -6.009 -5.784 7.645) 11.314 18.137 ( 3.719 3.681 -2.788) 5.929 18.171 ( -0.010 3.713 1.844) 4.146 18.472 ( 14.073 10.096 -10.246) 20.124 18.770 ( -5.394 -3.883 6.558) 9.338 19.332 ( 4.828 4.531 9.765) 11.798 19.570 ( -5.331 7.111 -1.762) 9.060 20.541 ( 0.969 -1.191 9.824) 9.943 20.671 ( -1.462 0.472 -15.953) 16.027 21.392 ( 3.079 0.768 -2.766) 4.210 21.549 ( -5.898 2.866 1.257) 6.677 21.960 ( 7.843 6.633 -3.324) 10.796 22.226 ( -7.241 1.991 2.753) 7.998 22.299 ( 1.332 -1.386 -1.182) 2.257 22.399 ( -5.136 4.310 1.324) 6.835 ======================= Grid point 247 (112/117) ======================= q-point: ( 0.60 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 9.239 -0.799 -0.736) 9.303 1.835 ( -3.059 0.969 0.371) 3.230 2.349 ( 9.673 -3.665 1.529) 10.457 2.460 ( -1.608 -1.654 -0.561) 2.374 2.550 ( 4.922 -2.332 -1.646) 5.690 2.619 ( -4.035 0.897 1.028) 4.260 2.713 ( 4.740 -9.835 3.897) 11.592 2.838 ( -8.003 -6.222 -3.548) 10.740 3.271 ( 9.272 -2.473 -0.952) 9.644 3.388 ( 2.330 -3.706 0.902) 4.469 3.414 ( -4.714 1.195 -0.666) 4.909 3.442 ( -1.498 -4.123 -1.055) 4.512 3.746 ( 7.696 -3.013 2.176) 8.547 3.893 ( -9.166 -3.537 -2.021) 10.030 4.248 ( 6.984 5.501 5.330) 10.366 4.358 ( -4.063 4.358 -4.268) 7.329 4.510 ( 6.754 -0.567 -8.709) 11.035 4.671 ( -15.022 2.189 11.908) 19.293 5.305 ( 5.042 -1.951 -6.701) 8.610 5.358 ( -2.968 -2.217 4.327) 5.696 5.868 ( 7.392 1.137 -0.789) 7.520 5.944 ( -2.592 3.015 3.350) 5.199 6.029 ( 5.089 1.844 0.629) 5.449 6.100 ( -2.885 1.509 -4.074) 5.216 6.692 ( 7.563 -3.848 3.599) 9.217 6.820 ( -5.567 -2.945 -3.522) 7.216 6.908 ( 2.600 5.515 2.816) 6.717 6.955 ( -2.219 7.855 -3.459) 8.865 7.525 ( 13.321 -1.985 -4.442) 14.182 7.592 ( 3.406 6.857 10.744) 13.192 7.690 ( -4.465 -3.062 -5.347) 7.609 7.754 ( -5.912 8.996 -8.385) 13.645 8.171 ( -0.887 2.347 6.490) 6.958 8.235 ( -7.224 -1.465 -6.014) 9.513 8.778 ( -1.203 -3.835 3.736) 5.487 8.834 ( -5.810 -2.207 -0.611) 6.245 9.051 ( 6.722 -8.298 3.483) 11.233 9.203 ( -10.612 -7.258 -2.325) 13.065 9.603 ( 3.656 -0.594 1.697) 4.074 9.684 ( -6.245 -4.368 -1.261) 7.725 9.981 ( 6.714 4.646 8.891) 12.072 10.112 ( -6.077 -0.431 -6.699) 9.055 10.302 ( 2.755 -5.001 -10.000) 11.515 10.369 ( -7.837 -7.863 8.790) 14.160 10.864 ( 4.620 -2.899 -11.816) 13.014 10.918 ( -6.122 -3.125 13.664) 15.295 11.154 ( 5.146 -2.648 2.525) 6.314 11.268 ( -7.934 -2.200 -0.475) 8.247 11.561 ( 4.260 -3.167 -2.038) 5.687 11.647 ( -6.565 -3.242 0.783) 7.364 12.497 ( 4.473 0.506 0.921) 4.594 12.527 ( 0.792 1.705 -0.980) 2.120 12.784 ( 4.416 2.577 2.891) 5.874 12.834 ( -0.547 4.122 -2.910) 5.075 14.484 ( 1.840 -6.140 -0.869) 6.468 14.510 ( -1.766 -6.218 0.777) 6.510 14.877 ( 3.506 4.277 1.508) 5.732 14.927 ( -2.224 5.263 -1.559) 5.922 15.244 ( 3.718 1.944 -8.628) 9.594 15.299 ( -5.913 2.445 9.260) 11.256 16.050 ( 6.689 -8.599 1.513) 10.999 16.146 ( -4.687 -7.291 -0.858) 8.710 16.479 ( -0.012 -8.040 3.228) 8.664 16.503 ( -1.889 -6.714 -1.332) 7.100 18.044 ( 1.709 7.994 0.694) 8.204 18.071 ( -1.350 7.459 -1.101) 7.659 18.418 ( 23.203 8.276 -14.893) 28.787 18.720 ( -18.286 1.649 14.003) 23.091 19.314 ( 6.492 1.561 1.427) 6.828 19.424 ( -6.472 2.389 -1.073) 6.982 20.588 ( 1.699 -1.237 9.563) 9.791 20.644 ( -1.983 -0.792 -11.704) 11.897 21.406 ( 2.991 0.606 -0.175) 3.057 21.461 ( -3.586 2.398 -0.047) 4.314 21.895 ( 8.350 6.388 -1.095) 10.571 22.038 ( -9.842 7.204 1.958) 12.353 22.335 ( 2.346 -1.250 -1.486) 3.046 22.369 ( -2.298 -1.009 0.979) 2.694 ======================= Grid point 248 (113/117) ======================= q-point: ( 0.70 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( -4.236 1.003 -0.899) 4.445 1.782 ( 4.236 1.003 0.899) 4.445 2.434 ( -2.030 1.890 -4.047) 4.906 2.434 ( 2.030 1.890 4.047) 4.906 2.570 ( -1.472 2.055 -8.883) 9.236 2.570 ( 1.472 2.055 8.883) 9.236 2.923 ( -1.186 -7.530 -3.625) 8.441 2.923 ( 1.186 -7.530 3.625) 8.441 3.280 ( -2.903 5.747 -0.647) 6.470 3.280 ( 2.903 5.747 0.647) 6.470 3.516 ( -6.948 -4.139 0.095) 8.088 3.516 ( 6.948 -4.139 -0.095) 8.088 3.843 ( -8.961 1.077 -0.847) 9.066 3.843 ( 8.961 1.077 0.847) 9.066 4.261 ( -6.742 -0.713 -4.948) 8.393 4.261 ( 6.742 -0.713 4.948) 8.393 4.566 ( 6.890 -0.171 -10.670) 12.702 4.566 ( -6.890 -0.171 10.670) 12.702 5.394 ( 4.784 -3.687 -5.708) 8.310 5.394 ( -4.784 -3.687 5.708) 8.310 5.876 ( -2.761 1.523 -0.518) 3.195 5.876 ( 2.761 1.523 0.518) 3.195 5.985 ( -3.963 7.448 -4.289) 9.464 5.985 ( 3.963 7.448 4.289) 9.464 6.726 ( -4.364 4.919 -4.866) 8.181 6.726 ( 4.364 4.919 4.866) 8.181 6.936 ( -1.514 -5.735 -10.418) 11.988 6.936 ( 1.514 -5.735 10.418) 11.988 7.419 ( -2.749 12.401 -13.062) 18.220 7.419 ( 2.749 12.401 13.062) 18.220 7.764 ( -7.234 -6.720 -0.728) 9.900 7.764 ( 7.234 -6.720 0.728) 9.900 8.201 ( -4.622 -1.125 -6.535) 8.083 8.201 ( 4.622 -1.125 6.535) 8.083 8.879 ( 3.191 -6.434 -17.349) 18.777 8.879 ( -3.191 -6.434 17.349) 18.777 9.230 ( -5.985 -3.249 -5.089) 8.502 9.230 ( 5.985 -3.249 5.089) 8.502 9.691 ( 0.031 -2.133 -9.056) 9.304 9.691 ( -0.031 -2.133 9.056) 9.304 10.016 ( -10.485 0.059 -5.117) 11.667 10.016 ( 10.485 0.059 5.117) 11.667 10.463 ( 9.541 -7.288 -7.272) 14.037 10.463 ( -9.541 -7.288 7.272) 14.037 10.926 ( 5.977 -1.050 -18.777) 19.733 10.926 ( -5.977 -1.050 18.777) 19.733 11.249 ( -6.045 -1.974 0.123) 6.360 11.249 ( 6.045 -1.974 -0.123) 6.360 11.659 ( 2.916 -3.198 -2.026) 4.779 11.659 ( -2.916 -3.198 2.026) 4.779 12.474 ( 1.161 3.853 -0.720) 4.087 12.474 ( -1.161 3.853 0.720) 4.087 12.761 ( -1.081 2.883 -1.276) 3.333 12.761 ( 1.081 2.883 1.276) 3.333 14.577 ( -0.958 -2.495 -0.576) 2.734 14.577 ( 0.958 -2.495 0.576) 2.734 14.807 ( -1.430 5.235 -1.879) 5.743 14.807 ( 1.430 5.235 1.879) 5.743 15.281 ( 3.602 -2.674 -7.865) 9.055 15.281 ( -3.602 -2.674 7.865) 9.055 16.240 ( 1.241 -6.097 -6.100) 8.713 16.240 ( -1.241 -6.097 6.100) 8.713 16.618 ( -0.325 -5.893 -6.530) 8.802 16.618 ( 0.325 -5.893 6.530) 8.802 17.881 ( -0.819 9.667 -2.209) 9.950 17.881 ( 0.819 9.667 2.209) 9.950 18.480 ( 19.676 4.873 -15.828) 25.718 18.480 ( -19.676 4.873 15.828) 25.718 19.374 ( 2.195 -1.769 -3.855) 4.775 19.374 ( -2.195 -1.769 3.855) 4.775 20.638 ( -0.863 -1.420 -10.130) 10.265 20.638 ( 0.863 -1.420 10.130) 10.265 21.400 ( -0.947 2.051 -1.821) 2.902 21.400 ( 0.947 2.051 1.821) 2.902 21.861 ( -1.691 3.400 -7.429) 8.343 21.861 ( 1.691 3.400 7.429) 8.343 22.373 ( 0.975 -1.069 -2.439) 2.836 22.373 ( -0.975 -1.069 2.439) 2.836 ======================= Grid point 256 (114/117) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 15.184 -0.000 -20.799) 25.752 1.588 ( 3.438 -0.000 18.826) 19.138 1.989 ( 11.069 -0.000 1.385) 11.155 2.020 ( 18.547 -0.000 -2.699) 18.742 2.365 ( -3.351 0.000 -9.106) 9.703 2.547 ( -1.649 0.000 6.887) 7.082 2.695 ( -0.178 0.000 -2.595) 2.601 2.706 ( -7.403 0.000 5.907) 9.471 2.901 ( 2.300 -0.000 4.954) 5.461 3.076 ( -6.523 0.000 0.217) 6.527 3.504 ( 4.776 -0.000 -4.997) 6.912 3.534 ( 2.549 -0.000 5.674) 6.220 3.615 ( 0.567 -0.000 -3.058) 3.110 3.811 ( -9.995 0.000 1.376) 10.089 4.367 ( 10.526 -0.000 4.011) 11.265 4.421 ( 16.042 -0.000 -2.641) 16.257 4.546 ( -0.566 0.000 0.464) 0.732 5.023 ( -20.309 0.000 1.194) 20.344 5.206 ( 8.198 -0.000 -3.792) 9.033 5.343 ( -1.318 0.000 -0.652) 1.471 5.861 ( 18.066 -0.000 -0.584) 18.075 5.940 ( 5.127 -0.000 -0.179) 5.131 5.978 ( 1.687 -0.000 -1.200) 2.071 6.214 ( 9.165 -0.000 -6.958) 11.507 6.460 ( 1.646 -0.000 0.768) 1.816 6.536 ( -13.027 0.000 5.187) 14.022 7.063 ( 9.355 -0.000 -8.068) 12.354 7.342 ( -6.713 0.000 9.114) 11.319 7.484 ( 4.058 -0.000 3.541) 5.386 7.591 ( 1.740 -0.000 0.135) 1.745 7.806 ( 12.543 -0.000 -3.886) 13.131 8.038 ( -8.122 0.000 -3.360) 8.790 8.113 ( -12.877 0.000 -7.505) 14.905 8.415 ( -22.605 0.000 -7.134) 23.704 8.690 ( -2.114 0.000 -6.647) 6.975 8.805 ( -13.020 0.000 14.719) 19.651 9.056 ( -10.473 0.000 11.702) 15.704 9.058 ( -5.818 0.000 -6.990) 9.095 9.569 ( 2.281 -0.000 -3.746) 4.385 9.612 ( -2.060 0.000 5.265) 5.654 9.936 ( 1.797 -0.000 17.846) 17.936 9.968 ( 3.209 -0.000 -14.438) 14.790 10.123 ( -3.573 0.000 8.778) 9.478 10.211 ( -5.059 0.000 -9.984) 11.193 10.743 ( 0.359 -0.000 -1.119) 1.175 10.849 ( -2.290 0.000 -1.385) 2.676 10.988 ( 5.021 -0.000 12.012) 13.019 11.170 ( -2.648 0.000 -8.950) 9.333 11.476 ( -5.163 0.000 4.743) 7.011 11.583 ( -9.011 0.000 0.838) 9.049 12.406 ( 7.897 -0.000 1.440) 8.028 12.488 ( 3.344 -0.000 -3.100) 4.560 12.930 ( 5.572 -0.000 12.803) 13.963 13.063 ( 0.492 -0.000 -10.528) 10.540 14.054 ( -0.514 0.000 -3.463) 3.501 14.083 ( -3.682 0.000 5.551) 6.661 15.141 ( 5.018 -0.000 -10.666) 11.787 15.191 ( 0.497 -0.000 9.325) 9.338 15.522 ( 7.479 -0.000 -15.555) 17.259 15.659 ( 1.443 -0.000 3.523) 3.807 15.742 ( 1.362 -0.000 -8.072) 8.186 15.755 ( -8.115 0.000 12.084) 14.556 16.091 ( 1.826 -0.000 1.539) 2.388 16.233 ( -9.377 0.000 11.854) 15.114 18.214 ( 0.216 -0.000 0.577) 0.616 18.218 ( 0.086 -0.000 -0.211) 0.228 18.650 ( 3.309 -0.000 0.422) 3.335 18.677 ( 1.620 -0.000 -1.486) 2.198 19.447 ( 8.289 -0.000 15.455) 17.538 19.793 ( -5.032 0.000 -1.776) 5.336 20.517 ( 1.806 -0.000 11.783) 11.921 20.695 ( -1.259 0.000 -19.732) 19.773 21.432 ( 1.598 -0.000 -7.050) 7.229 21.611 ( -8.260 0.000 2.883) 8.748 22.136 ( 5.532 -0.000 -6.716) 8.701 22.153 ( 1.575 -0.000 2.479) 2.937 22.260 ( 4.700 -0.000 -3.161) 5.664 22.570 ( -13.885 0.000 4.611) 14.631 ======================= Grid point 257 (115/117) ======================= q-point: ( 0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 13.102 -5.400 -13.302) 19.436 1.740 ( -2.845 -8.789 13.273) 16.172 2.098 ( 13.260 -3.901 0.217) 13.824 2.212 ( 2.599 -7.697 1.880) 8.339 2.372 ( 4.073 -3.439 -11.901) 13.041 2.515 ( -10.521 -0.797 9.184) 13.988 2.629 ( 3.499 1.507 -1.262) 4.013 2.715 ( -7.952 -1.571 2.080) 8.368 2.998 ( 4.511 -6.219 1.900) 7.914 3.061 ( -3.687 -3.570 -0.486) 5.155 3.507 ( 5.321 2.488 -4.470) 7.382 3.566 ( -3.005 0.888 4.668) 5.622 3.621 ( 6.916 -0.886 -1.489) 7.130 3.755 ( -9.756 -2.175 0.896) 10.036 4.422 ( 7.522 2.351 3.338) 8.558 4.514 ( -2.916 2.137 -1.904) 4.086 4.540 ( 16.889 1.571 -4.569) 17.566 4.822 ( -19.196 3.929 4.995) 20.220 5.265 ( 6.047 -0.531 -3.577) 7.046 5.329 ( -2.764 -0.243 1.113) 2.990 5.949 ( 10.985 2.723 -2.042) 11.500 5.973 ( 3.241 -0.373 1.425) 3.560 6.026 ( 5.500 -0.989 0.746) 5.638 6.200 ( -6.455 3.838 -3.508) 8.289 6.469 ( 5.597 -4.425 0.407) 7.146 6.577 ( -6.580 -7.624 1.426) 10.171 7.118 ( 8.935 1.979 -7.617) 11.906 7.244 ( -8.704 4.167 7.732) 12.365 7.516 ( 8.803 1.813 0.147) 8.989 7.613 ( -0.463 -0.650 -1.125) 1.380 7.841 ( 6.163 5.331 1.939) 8.376 7.965 ( -7.511 1.985 -8.259) 11.339 8.077 ( -1.289 -5.399 3.978) 6.829 8.257 ( -17.111 -1.549 -5.666) 18.091 8.686 ( 1.918 -1.559 -4.898) 5.486 8.777 ( -11.489 -4.349 8.913) 15.177 8.933 ( -0.053 5.650 5.338) 7.773 8.996 ( -6.707 1.882 -3.331) 7.721 9.592 ( 1.840 -0.930 -3.582) 4.133 9.609 ( -1.663 -0.669 4.523) 4.865 9.988 ( 1.003 -2.258 16.113) 16.301 10.020 ( 1.784 -3.415 -14.935) 15.424 10.150 ( 0.488 -3.234 2.540) 4.141 10.207 ( -5.109 -3.748 -2.809) 6.931 10.768 ( 1.417 -1.291 -1.925) 2.716 10.797 ( -2.372 0.984 1.826) 3.151 11.082 ( 4.409 -2.642 7.523) 9.111 11.161 ( -3.729 -2.727 -5.959) 7.541 11.468 ( 0.167 -1.006 1.704) 1.986 11.532 ( -6.802 -1.565 -0.005) 6.979 12.468 ( 5.222 -0.835 1.101) 5.401 12.510 ( 0.177 -0.985 -1.740) 2.007 12.942 ( 4.034 3.931 10.011) 11.487 13.005 ( -1.036 4.001 -9.209) 10.094 14.138 ( 0.880 -8.369 -4.126) 9.372 14.154 ( -2.533 -8.617 4.892) 10.228 15.092 ( 4.900 6.128 -3.260) 8.497 15.150 ( -3.082 5.180 2.476) 6.516 15.479 ( 7.128 7.152 -12.356) 15.957 15.562 ( -5.643 7.773 8.777) 13.012 15.768 ( 3.048 -4.414 5.060) 7.374 15.839 ( -3.363 -7.927 -2.946) 9.101 16.176 ( 4.009 -6.182 -3.691) 8.241 16.250 ( -6.923 -6.016 8.220) 12.317 18.200 ( 1.397 1.380 -1.128) 2.265 18.214 ( -0.696 0.995 1.048) 1.604 18.649 ( 5.145 2.281 -4.443) 7.170 18.698 ( -2.200 -1.210 3.447) 4.264 19.491 ( 8.325 4.452 13.529) 16.497 19.657 ( -8.192 6.563 -8.637) 13.593 20.559 ( 3.199 -0.154 15.569) 15.895 20.649 ( -2.390 0.706 -18.642) 18.808 21.440 ( 4.967 1.080 -3.469) 6.154 21.536 ( -7.418 1.354 2.214) 7.859 22.121 ( 6.506 3.457 -4.530) 8.648 22.191 ( -3.306 -0.834 2.884) 4.466 22.302 ( 6.008 0.035 -3.246) 6.829 22.427 ( -10.605 3.855 3.898) 11.938 ======================= Grid point 258 (116/117) ======================= q-point: ( 0.60 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 107 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 5.173 -1.469 -8.328) 9.913 1.790 ( -5.173 -1.469 8.328) 9.913 2.329 ( -8.437 -7.221 -4.520) 11.990 2.329 ( 8.437 -7.221 4.520) 11.990 2.513 ( 7.482 -5.791 -9.240) 13.225 2.513 ( -7.482 -5.791 9.240) 13.225 2.673 ( -8.994 -1.844 -1.391) 9.286 2.673 ( 8.994 -1.844 1.391) 9.286 3.177 ( 1.291 -9.712 -3.943) 10.561 3.177 ( -1.291 -9.712 3.943) 10.561 3.482 ( 1.025 3.916 -1.377) 4.275 3.482 ( -1.025 3.916 1.377) 4.275 3.741 ( -8.921 -4.006 -1.459) 9.887 3.741 ( 8.921 -4.006 1.459) 9.887 4.407 ( -5.159 4.758 -3.799) 7.980 4.407 ( 5.159 4.758 3.799) 7.980 4.617 ( 14.401 3.007 -8.437) 16.959 4.617 ( -14.401 3.007 8.437) 16.959 5.312 ( 3.868 -0.670 -4.261) 5.793 5.312 ( -3.868 -0.670 4.261) 5.793 5.965 ( 5.060 2.117 -3.882) 6.720 5.965 ( -5.060 2.117 3.882) 6.720 6.076 ( -6.138 0.620 1.397) 6.325 6.076 ( 6.138 0.620 -1.397) 6.325 6.658 ( -6.701 -6.805 -2.000) 9.758 6.658 ( 6.701 -6.805 2.000) 9.758 7.080 ( 2.948 7.346 -7.331) 10.789 7.080 ( -2.948 7.346 7.331) 10.789 7.572 ( -6.893 -0.306 -1.673) 7.100 7.572 ( 6.893 -0.306 1.673) 7.100 7.815 ( -9.827 4.952 -10.085) 14.926 7.815 ( 9.827 4.952 10.085) 14.926 8.187 ( -0.620 -0.825 -7.569) 7.639 8.187 ( 0.620 -0.825 7.569) 7.639 8.762 ( 2.714 -1.201 -17.735) 17.982 8.762 ( -2.714 -1.201 17.735) 17.982 8.954 ( -7.623 -6.072 -4.041) 10.550 8.954 ( 7.623 -6.072 4.041) 10.550 9.616 ( 0.503 -0.677 -3.892) 3.983 9.616 ( -0.503 -0.677 3.892) 3.983 10.061 ( -1.636 -1.637 -13.821) 14.014 10.061 ( 1.636 -1.637 13.821) 14.014 10.232 ( 3.074 -3.240 -8.236) 9.370 10.232 ( -3.074 -3.240 8.236) 9.370 10.816 ( 2.682 -3.559 -5.266) 6.899 10.816 ( -2.682 -3.559 5.266) 6.899 11.168 ( -2.275 -1.988 -7.231) 7.836 11.168 ( 2.275 -1.988 7.231) 7.836 11.534 ( -0.625 -3.287 -2.495) 4.174 11.534 ( 0.625 -3.287 2.495) 4.174 12.519 ( -1.845 -0.968 -1.714) 2.698 12.519 ( 1.845 -0.968 1.714) 2.698 12.894 ( -2.113 4.571 -7.426) 8.972 12.894 ( 2.113 4.571 7.426) 8.972 14.335 ( 1.628 -10.298 -3.540) 11.011 14.335 ( -1.628 -10.298 3.540) 11.011 15.005 ( 0.067 6.035 -7.741) 9.816 15.005 ( -0.067 6.035 7.741) 9.816 15.367 ( 5.732 7.527 -10.114) 13.849 15.367 ( -5.732 7.527 10.114) 13.849 15.947 ( -2.135 -8.125 -8.783) 12.154 15.947 ( 2.135 -8.125 8.783) 12.154 16.343 ( 3.226 -7.523 -6.885) 10.696 16.343 ( -3.226 -7.523 6.885) 10.696 18.166 ( 1.045 3.636 -1.866) 4.219 18.166 ( -1.045 3.636 1.866) 4.219 18.655 ( 10.579 2.533 -10.569) 15.167 18.655 ( -10.579 2.533 10.569) 15.167 19.451 ( -6.889 6.354 -7.474) 11.988 19.451 ( 6.889 6.354 7.474) 11.988 20.602 ( -2.280 -0.224 -14.930) 15.105 20.602 ( 2.280 -0.224 14.930) 15.105 21.458 ( -4.731 1.366 0.820) 4.992 21.458 ( 4.731 1.366 -0.820) 4.992 22.092 ( 2.603 5.876 -4.323) 7.746 22.092 ( -2.603 5.876 4.323) 7.746 22.337 ( 0.995 -0.162 -2.745) 2.924 22.337 ( -0.995 -0.162 2.745) 2.924 ======================= Grid point 269 (117/117) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 6.650 -0.000 -22.289) 23.259 1.617 ( -6.650 0.000 22.289) 23.259 2.141 ( -6.406 0.000 1.257) 6.528 2.141 ( 6.406 -0.000 -1.257) 6.528 2.404 ( 14.595 -0.000 -10.185) 17.798 2.404 ( -14.595 0.000 10.185) 17.798 2.667 ( -1.541 0.000 -2.782) 3.180 2.667 ( 1.541 -0.000 2.782) 3.180 2.984 ( -4.967 0.000 -3.156) 5.885 2.984 ( 4.967 -0.000 3.156) 5.885 3.556 ( 2.771 -0.000 -6.484) 7.051 3.556 ( -2.771 0.000 6.484) 7.051 3.669 ( 7.797 -0.000 -2.913) 8.323 3.669 ( -7.797 0.000 2.913) 8.323 4.500 ( -5.315 0.000 -1.911) 5.648 4.500 ( 5.315 -0.000 1.911) 5.648 4.706 ( -19.845 0.000 3.630) 20.174 4.706 ( 19.845 -0.000 -3.630) 20.174 5.299 ( 4.356 -0.000 -1.457) 4.593 5.299 ( -4.356 0.000 1.457) 4.593 5.984 ( -0.723 0.000 -1.367) 1.547 5.984 ( 0.723 -0.000 1.367) 1.547 6.153 ( -15.784 0.000 -2.976) 16.063 6.153 ( 15.784 -0.000 2.976) 16.063 6.449 ( -1.976 0.000 -0.626) 2.072 6.449 ( 1.976 -0.000 0.626) 2.072 7.206 ( 10.754 -0.000 -8.069) 13.444 7.206 ( -10.754 0.000 8.069) 13.444 7.591 ( -4.786 0.000 -1.368) 4.978 7.591 ( 4.786 -0.000 1.368) 4.978 7.945 ( 0.402 -0.000 -11.605) 11.612 7.945 ( -0.402 0.000 11.605) 11.612 8.074 ( -17.402 0.000 -5.618) 18.286 8.074 ( 17.402 -0.000 5.618) 18.286 8.687 ( 4.762 -0.000 -10.494) 11.524 8.687 ( -4.762 0.000 10.494) 11.524 9.000 ( 0.947 -0.000 -8.935) 8.985 9.000 ( -0.947 0.000 8.935) 8.985 9.592 ( 2.081 -0.000 -5.305) 5.698 9.592 ( -2.081 0.000 5.305) 5.698 9.984 ( 2.259 -0.000 -18.037) 18.178 9.984 ( -2.259 0.000 18.037) 18.178 10.124 ( -2.128 0.000 -8.587) 8.847 10.124 ( 2.128 -0.000 8.587) 8.847 10.787 ( 4.691 -0.000 -1.597) 4.955 10.787 ( -4.691 0.000 1.597) 4.955 11.092 ( -4.076 0.000 -12.187) 12.851 11.092 ( 4.076 -0.000 12.187) 12.851 11.475 ( -3.578 0.000 -2.855) 4.577 11.475 ( 3.578 -0.000 2.855) 4.577 12.491 ( -2.334 0.000 -1.624) 2.844 12.491 ( 2.334 -0.000 1.624) 2.844 13.022 ( -2.377 0.000 -11.897) 12.132 13.022 ( 2.377 -0.000 11.897) 12.132 14.053 ( 1.565 -0.000 -4.806) 5.055 14.053 ( -1.565 0.000 4.806) 5.055 15.187 ( 3.577 -0.000 -10.768) 11.347 15.187 ( -3.577 0.000 10.768) 11.347 15.612 ( 7.803 -0.000 -12.589) 14.812 15.612 ( -7.803 0.000 12.589) 14.812 15.731 ( 0.088 -0.000 -9.675) 9.676 15.731 ( -0.088 0.000 9.675) 9.676 16.141 ( 4.896 -0.000 -4.040) 6.348 16.141 ( -4.896 0.000 4.040) 6.348 18.217 ( -0.053 0.000 -0.545) 0.548 18.217 ( 0.053 -0.000 0.545) 0.548 18.682 ( -0.574 0.000 -1.485) 1.592 18.682 ( 0.574 -0.000 1.485) 1.592 19.632 ( -10.157 0.000 -14.067) 17.351 19.632 ( 10.157 -0.000 14.067) 17.351 20.610 ( -3.528 0.000 -19.332) 19.652 20.610 ( 3.528 -0.000 19.332) 19.652 21.495 ( 6.777 -0.000 -3.128) 7.465 21.495 ( -6.777 0.000 3.128) 7.465 22.170 ( 0.644 -0.000 -4.102) 4.152 22.170 ( -0.644 0.000 4.102) 4.152 22.379 ( 11.002 -0.000 -4.474) 11.877 22.379 ( -11.002 0.000 4.474) 11.877 =================== 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 3/31200 10.0 319.399 127.746 173.252 -0.000 -9.602 -0.000 3/31200 20.0 90.804 64.089 63.768 -0.000 -6.323 -0.000 3/31200 30.0 46.095 33.394 34.750 -0.000 -4.218 -0.000 3/31200 40.0 29.309 21.177 22.901 0.000 -3.042 -0.000 3/31200 50.0 20.925 15.040 16.618 0.000 -2.311 -0.000 3/31200 60.0 16.007 11.432 12.804 0.000 -1.829 -0.000 3/31200 70.0 12.814 9.093 10.287 0.000 -1.496 -0.000 3/31200 80.0 10.598 7.478 8.528 0.000 -1.255 -0.000 3/31200 90.0 8.986 6.309 7.246 0.000 -1.077 -0.000 3/31200 100.0 7.772 5.434 6.280 0.000 -0.941 -0.000 3/31200 110.0 6.832 4.760 5.532 0.000 -0.835 -0.000 3/31200 120.0 6.088 4.229 4.940 0.000 -0.750 -0.000 3/31200 130.0 5.488 3.802 4.463 0.000 -0.682 -0.000 3/31200 140.0 4.995 3.452 4.071 0.000 -0.627 -0.000 3/31200 150.0 4.584 3.161 3.745 0.000 -0.580 -0.000 3/31200 160.0 4.238 2.916 3.470 0.000 -0.541 -0.000 3/31200 170.0 3.942 2.707 3.235 0.000 -0.507 -0.000 3/31200 180.0 3.686 2.526 3.032 0.000 -0.479 -0.000 3/31200 190.0 3.463 2.370 2.855 0.000 -0.453 -0.000 3/31200 200.0 3.267 2.232 2.700 0.000 -0.431 -0.000 3/31200 210.0 3.093 2.110 2.562 0.000 -0.411 -0.000 3/31200 220.0 2.938 2.001 2.439 0.000 -0.393 -0.000 3/31200 230.0 2.799 1.904 2.329 0.000 -0.377 -0.000 3/31200 240.0 2.673 1.816 2.229 0.000 -0.363 -0.000 3/31200 250.0 2.559 1.736 2.138 0.000 -0.349 -0.000 3/31200 260.0 2.454 1.664 2.055 0.000 -0.337 -0.000 3/31200 270.0 2.359 1.597 1.979 0.000 -0.325 -0.000 3/31200 280.0 2.271 1.536 1.908 0.000 -0.315 -0.000 3/31200 290.0 2.189 1.480 1.843 0.000 -0.305 -0.000 3/31200 300.0 2.114 1.428 1.783 0.000 -0.296 -0.000 3/31200 310.0 2.044 1.379 1.727 0.000 -0.287 -0.000 3/31200 320.0 1.978 1.334 1.674 0.000 -0.279 -0.000 3/31200 330.0 1.917 1.292 1.625 0.000 -0.271 -0.000 3/31200 340.0 1.860 1.252 1.578 0.000 -0.264 -0.000 3/31200 350.0 1.806 1.215 1.535 0.000 -0.257 -0.000 3/31200 360.0 1.755 1.180 1.493 0.000 -0.251 -0.000 3/31200 370.0 1.707 1.148 1.455 0.000 -0.244 -0.000 3/31200 380.0 1.662 1.117 1.418 0.000 -0.238 -0.000 3/31200 390.0 1.619 1.087 1.383 0.000 -0.233 -0.000 3/31200 400.0 1.578 1.059 1.349 0.000 -0.228 -0.000 3/31200 410.0 1.540 1.033 1.318 0.000 -0.222 -0.000 3/31200 420.0 1.503 1.008 1.288 0.000 -0.218 -0.000 3/31200 430.0 1.468 0.984 1.259 0.000 -0.213 -0.000 3/31200 440.0 1.434 0.962 1.231 0.000 -0.208 -0.000 3/31200 450.0 1.403 0.940 1.205 0.000 -0.204 -0.000 3/31200 460.0 1.372 0.919 1.180 0.000 -0.200 -0.000 3/31200 470.0 1.343 0.899 1.156 0.000 -0.196 -0.000 3/31200 480.0 1.315 0.881 1.133 0.000 -0.192 -0.000 3/31200 490.0 1.288 0.862 1.110 0.000 -0.189 -0.000 3/31200 500.0 1.263 0.845 1.089 0.000 -0.185 -0.000 3/31200 510.0 1.238 0.828 1.068 0.000 -0.182 -0.000 3/31200 520.0 1.214 0.812 1.049 0.000 -0.178 -0.000 3/31200 530.0 1.191 0.797 1.029 0.000 -0.175 -0.000 3/31200 540.0 1.170 0.782 1.011 0.000 -0.172 -0.000 3/31200 550.0 1.148 0.768 0.993 0.000 -0.169 -0.000 3/31200 560.0 1.128 0.754 0.976 0.000 -0.166 -0.000 3/31200 570.0 1.108 0.741 0.960 0.000 -0.164 -0.000 3/31200 580.0 1.089 0.728 0.944 0.000 -0.161 -0.000 3/31200 590.0 1.071 0.716 0.928 0.000 -0.158 -0.000 3/31200 600.0 1.053 0.704 0.913 0.000 -0.156 -0.000 3/31200 610.0 1.036 0.692 0.899 0.000 -0.153 -0.000 3/31200 620.0 1.019 0.681 0.885 0.000 -0.151 -0.000 3/31200 630.0 1.003 0.670 0.871 0.000 -0.149 -0.000 3/31200 640.0 0.988 0.659 0.858 0.000 -0.147 -0.000 3/31200 650.0 0.973 0.649 0.845 0.000 -0.144 -0.000 3/31200 660.0 0.958 0.639 0.833 0.000 -0.142 -0.000 3/31200 670.0 0.944 0.630 0.821 0.000 -0.140 -0.000 3/31200 680.0 0.930 0.621 0.809 0.000 -0.138 -0.000 3/31200 690.0 0.917 0.612 0.797 0.000 -0.136 -0.000 3/31200 700.0 0.904 0.603 0.786 0.000 -0.135 -0.000 3/31200 710.0 0.891 0.594 0.776 0.000 -0.133 -0.000 3/31200 720.0 0.879 0.586 0.765 0.000 -0.131 -0.000 3/31200 730.0 0.867 0.578 0.755 0.000 -0.129 -0.000 3/31200 740.0 0.855 0.570 0.745 0.000 -0.128 -0.000 3/31200 750.0 0.844 0.563 0.735 0.000 -0.126 -0.000 3/31200 760.0 0.833 0.555 0.726 0.000 -0.124 -0.000 3/31200 770.0 0.822 0.548 0.717 0.000 -0.123 -0.000 3/31200 780.0 0.811 0.541 0.708 0.000 -0.121 -0.000 3/31200 790.0 0.801 0.534 0.699 0.000 -0.120 -0.000 3/31200 800.0 0.791 0.528 0.690 0.000 -0.118 -0.000 3/31200 810.0 0.782 0.521 0.682 0.000 -0.117 -0.000 3/31200 820.0 0.772 0.515 0.674 0.000 -0.115 -0.000 3/31200 830.0 0.763 0.509 0.666 0.000 -0.114 -0.000 3/31200 840.0 0.754 0.502 0.658 0.000 -0.113 -0.000 3/31200 850.0 0.745 0.497 0.651 0.000 -0.112 -0.000 3/31200 860.0 0.736 0.491 0.643 0.000 -0.110 -0.000 3/31200 870.0 0.728 0.485 0.636 0.000 -0.109 -0.000 3/31200 880.0 0.720 0.480 0.629 0.000 -0.108 -0.000 3/31200 890.0 0.712 0.474 0.622 0.000 -0.107 -0.000 3/31200 900.0 0.704 0.469 0.615 0.000 -0.105 -0.000 3/31200 910.0 0.696 0.464 0.608 0.000 -0.104 -0.000 3/31200 920.0 0.689 0.459 0.602 0.000 -0.103 -0.000 3/31200 930.0 0.681 0.454 0.596 0.000 -0.102 -0.000 3/31200 940.0 0.674 0.449 0.589 0.000 -0.101 -0.000 3/31200 950.0 0.667 0.444 0.583 0.000 -0.100 -0.000 3/31200 960.0 0.660 0.440 0.577 0.000 -0.099 -0.000 3/31200 970.0 0.653 0.435 0.571 0.000 -0.098 -0.000 3/31200 980.0 0.647 0.431 0.566 0.000 -0.097 -0.000 3/31200 990.0 0.640 0.426 0.560 0.000 -0.096 -0.000 3/31200 1000.0 0.634 0.422 0.555 0.000 -0.095 -0.000 3/31200 Thermal conductivity related properties were written into "kappa-m10104.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:31:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|