# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/125bf638-9b4a-437a-b0ca-fca3a2e10f8f/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for Cs6Si2O7 / P2_1/c (14) / materials id 18315](https://mdr.nims.go.jp/datasets/951a1c82-bef5-43d6-ae54-c12e00194129) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 04:22:49]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)Number of symmetry operations in supercell: 16------------------------------ primitive cell ------------------------------Lattice vectors: a 7.088757023095213 0.000000000000000 0.000000000000000 b 0.000000000000000 9.498024449999999 0.000000000000000 c -7.007765907053662 0.000000000000000 9.578641930624475Atomic positions (fractional): *1 O 0.00354733857424 0.72892757371331 0.93622861604701 15.999 *2 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 3 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 *4 O 0.22259839227446 0.07559998795467 0.27014518359452 15.999 5 O 0.99645266142576 0.22892757371331 0.56377138395299 15.999 6 O 0.99645266142576 0.27107242628669 0.06377138395299 15.999 7 O 0.00354733857424 0.77107242628669 0.43622861604701 15.999 *8 O 0.39813724666520 0.34639367281427 0.62747517469359 15.999 9 O 0.60186275333480 0.84639367281427 0.87252482530641 15.999 10 O 0.60186275333480 0.65360632718573 0.37252482530641 15.999 11 O 0.39813724666520 0.15360632718573 0.12747517469359 15.999 12 O 0.22259839227446 0.42440001204533 0.77014518359452 15.999 13 O 0.77740160772554 0.92440001204533 0.72985481640548 15.999 14 O 0.77740160772554 0.57559998795467 0.22985481640548 15.999 *15 Si 0.16104388489390 0.37114226176348 0.62007707259969 28.085 16 Si 0.16104388489390 0.12885773823652 0.12007707259969 28.085 17 Si 0.83895611510610 0.62885773823652 0.37992292740031 28.085 18 Si 0.83895611510610 0.87114226176348 0.87992292740031 28.085 *19 Cs 0.48282281499703 0.64579408136592 0.59584210064242 132.905 20 Cs 0.48282281499703 0.85420591863408 0.09584210064242 132.905 21 Cs 0.51717718500296 0.35420591863408 0.40415789935758 132.905 *22 Cs 0.29351162073495 0.02605583349249 0.54438525263338 132.905 23 Cs 0.70648837926505 0.52605583349248 0.95561474736662 132.905 24 Cs 0.70648837926505 0.97394416650752 0.45561474736662 132.905 25 Cs 0.29351162073495 0.47394416650751 0.04438525263338 132.905 *26 Cs 0.11547814937575 0.72542656319338 0.72729877198468 132.905 27 Cs 0.88452185062425 0.22542656319338 0.77270122801532 132.905 28 Cs 0.88452185062425 0.27457343680662 0.27270122801532 132.905 29 Cs 0.11547814937575 0.77457343680662 0.22729877198468 132.905 30 Cs 0.51717718500296 0.14579408136592 0.90415789935758 132.905-------------------------------- unit cell ---------------------------------Lattice vectors: a 7.088757023095213 0.000000000000000 0.000000000000000 b 0.000000000000000 9.498024449999999 0.000000000000000 c -7.007765907053662 0.000000000000000 9.578641930624475Atomic positions (fractional): *1 O 0.00354733857424 0.72892757371331 0.93622861604701 15.999 > 1 *2 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 2 3 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 3 *4 O 0.22259839227446 0.07559998795467 0.27014518359452 15.999 > 4 5 O 0.99645266142576 0.22892757371331 0.56377138395299 15.999 > 5 6 O 0.99645266142576 0.27107242628669 0.06377138395299 15.999 > 6 7 O 0.00354733857424 0.77107242628669 0.43622861604701 15.999 > 7 *8 O 0.39813724666520 0.34639367281427 0.62747517469359 15.999 > 8 9 O 0.60186275333480 0.84639367281427 0.87252482530641 15.999 > 9 10 O 0.60186275333480 0.65360632718573 0.37252482530641 15.999 > 10 11 O 0.39813724666520 0.15360632718573 0.12747517469359 15.999 > 11 12 O 0.22259839227446 0.42440001204533 0.77014518359452 15.999 > 12 13 O 0.77740160772554 0.92440001204533 0.72985481640548 15.999 > 13 14 O 0.77740160772554 0.57559998795467 0.22985481640548 15.999 > 14 *15 Si 0.16104388489390 0.37114226176348 0.62007707259969 28.085 > 15 16 Si 0.16104388489390 0.12885773823652 0.12007707259969 28.085 > 16 17 Si 0.83895611510610 0.62885773823652 0.37992292740031 28.085 > 17 18 Si 0.83895611510610 0.87114226176348 0.87992292740031 28.085 > 18 *19 Cs 0.48282281499703 0.64579408136592 0.59584210064242 132.905 > 19 20 Cs 0.48282281499703 0.85420591863408 0.09584210064242 132.905 > 20 21 Cs 0.51717718500296 0.35420591863408 0.40415789935758 132.905 > 21 *22 Cs 0.29351162073495 0.02605583349249 0.54438525263338 132.905 > 22 23 Cs 0.70648837926505 0.52605583349248 0.95561474736662 132.905 > 23 24 Cs 0.70648837926505 0.97394416650752 0.45561474736662 132.905 > 24 25 Cs 0.29351162073495 0.47394416650751 0.04438525263338 132.905 > 25 *26 Cs 0.11547814937575 0.72542656319338 0.72729877198468 132.905 > 26 27 Cs 0.88452185062425 0.22542656319338 0.77270122801532 132.905 > 27 28 Cs 0.88452185062425 0.27457343680662 0.27270122801532 132.905 > 28 29 Cs 0.11547814937575 0.77457343680662 0.22729877198468 132.905 > 29 30 Cs 0.51717718500296 0.14579408136592 0.90415789935758 132.905 > 30-------------------------------- super cell --------------------------------Lattice vectors: a 14.177514046190426 0.000000000000000 0.000000000000000 b 0.000000000000000 18.996048899999998 0.000000000000000 c -7.007765907053662 0.000000000000000 9.578641930624475Atomic positions (fractional): *1 O 0.00177366928712 0.36446378685666 0.93622861604701 15.999 > 1 2 O 0.50177366928712 0.36446378685666 0.93622861604701 15.999 > 1 3 O 0.00177366928712 0.86446378685666 0.93622861604701 15.999 > 1 4 O 0.50177366928712 0.86446378685666 0.93622861604701 15.999 > 1 *5 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 2 6 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 2 7 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 2 8 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 2 9 O 0.00000000000000 0.25000000000000 0.50000000000000 15.999 > 3 10 O 0.50000000000000 0.25000000000000 0.50000000000000 15.999 > 3 11 O 0.00000000000000 0.75000000000000 0.50000000000000 15.999 > 3 12 O 0.50000000000000 0.75000000000000 0.50000000000000 15.999 > 3 *13 O 0.11129919613723 0.03779999397733 0.27014518359452 15.999 > 4 14 O 0.61129919613723 0.03779999397733 0.27014518359452 15.999 > 4 15 O 0.11129919613723 0.53779999397733 0.27014518359452 15.999 > 4 16 O 0.61129919613723 0.53779999397733 0.27014518359452 15.999 > 4 17 O 0.49822633071288 0.11446378685666 0.56377138395299 15.999 > 5 18 O 0.99822633071288 0.11446378685666 0.56377138395299 15.999 > 5 19 O 0.49822633071288 0.61446378685666 0.56377138395299 15.999 > 5 20 O 0.99822633071288 0.61446378685666 0.56377138395299 15.999 > 5 21 O 0.49822633071288 0.13553621314334 0.06377138395299 15.999 > 6 22 O 0.99822633071288 0.13553621314334 0.06377138395299 15.999 > 6 23 O 0.49822633071288 0.63553621314334 0.06377138395299 15.999 > 6 24 O 0.99822633071288 0.63553621314334 0.06377138395299 15.999 > 6 25 O 0.00177366928712 0.38553621314334 0.43622861604701 15.999 > 7 26 O 0.50177366928712 0.38553621314334 0.43622861604701 15.999 > 7 27 O 0.00177366928712 0.88553621314334 0.43622861604701 15.999 > 7 28 O 0.50177366928712 0.88553621314334 0.43622861604701 15.999 > 7 *29 O 0.19906862333260 0.17319683640713 0.62747517469359 15.999 > 8 30 O 0.69906862333260 0.17319683640713 0.62747517469359 15.999 > 8 31 O 0.19906862333260 0.67319683640713 0.62747517469359 15.999 > 8 32 O 0.69906862333260 0.67319683640713 0.62747517469359 15.999 > 8 33 O 0.30093137666740 0.42319683640713 0.87252482530641 15.999 > 9 34 O 0.80093137666740 0.42319683640713 0.87252482530641 15.999 > 9 35 O 0.30093137666740 0.92319683640713 0.87252482530641 15.999 > 9 36 O 0.80093137666740 0.92319683640713 0.87252482530641 15.999 > 9 37 O 0.30093137666740 0.32680316359287 0.37252482530641 15.999 > 10 38 O 0.80093137666740 0.32680316359287 0.37252482530641 15.999 > 10 39 O 0.30093137666740 0.82680316359287 0.37252482530641 15.999 > 10 40 O 0.80093137666740 0.82680316359287 0.37252482530641 15.999 > 10 41 O 0.19906862333260 0.07680316359287 0.12747517469359 15.999 > 11 42 O 0.69906862333260 0.07680316359287 0.12747517469359 15.999 > 11 43 O 0.19906862333260 0.57680316359287 0.12747517469359 15.999 > 11 44 O 0.69906862333260 0.57680316359287 0.12747517469359 15.999 > 11 45 O 0.11129919613723 0.21220000602267 0.77014518359452 15.999 > 12 46 O 0.61129919613723 0.21220000602267 0.77014518359452 15.999 > 12 47 O 0.11129919613723 0.71220000602267 0.77014518359452 15.999 > 12 48 O 0.61129919613723 0.71220000602267 0.77014518359452 15.999 > 12 49 O 0.38870080386277 0.46220000602267 0.72985481640548 15.999 > 13 50 O 0.88870080386277 0.46220000602267 0.72985481640548 15.999 > 13 51 O 0.38870080386277 0.96220000602267 0.72985481640548 15.999 > 13 52 O 0.88870080386277 0.96220000602267 0.72985481640548 15.999 > 13 53 O 0.38870080386277 0.28779999397733 0.22985481640548 15.999 > 14 54 O 0.88870080386277 0.28779999397733 0.22985481640548 15.999 > 14 55 O 0.38870080386277 0.78779999397733 0.22985481640548 15.999 > 14 56 O 0.88870080386277 0.78779999397733 0.22985481640548 15.999 > 14 *57 Si 0.08052194244695 0.18557113088174 0.62007707259969 28.085 > 15 58 Si 0.58052194244695 0.18557113088174 0.62007707259969 28.085 > 15 59 Si 0.08052194244695 0.68557113088174 0.62007707259969 28.085 > 15 60 Si 0.58052194244695 0.68557113088174 0.62007707259969 28.085 > 15 61 Si 0.08052194244695 0.06442886911826 0.12007707259969 28.085 > 16 62 Si 0.58052194244695 0.06442886911826 0.12007707259969 28.085 > 16 63 Si 0.08052194244695 0.56442886911826 0.12007707259969 28.085 > 16 64 Si 0.58052194244695 0.56442886911826 0.12007707259969 28.085 > 16 65 Si 0.41947805755305 0.31442886911826 0.37992292740031 28.085 > 17 66 Si 0.91947805755305 0.31442886911826 0.37992292740031 28.085 > 17 67 Si 0.41947805755305 0.81442886911826 0.37992292740031 28.085 > 17 68 Si 0.91947805755305 0.81442886911826 0.37992292740031 28.085 > 17 69 Si 0.41947805755305 0.43557113088174 0.87992292740031 28.085 > 18 70 Si 0.91947805755305 0.43557113088174 0.87992292740031 28.085 > 18 71 Si 0.41947805755305 0.93557113088174 0.87992292740031 28.085 > 18 72 Si 0.91947805755305 0.93557113088174 0.87992292740031 28.085 > 18 *73 Cs 0.24141140749852 0.32289704068296 0.59584210064242 132.905 > 19 74 Cs 0.74141140749852 0.32289704068296 0.59584210064242 132.905 > 19 75 Cs 0.24141140749852 0.82289704068296 0.59584210064242 132.905 > 19 76 Cs 0.74141140749852 0.82289704068296 0.59584210064242 132.905 > 19 77 Cs 0.24141140749852 0.42710295931704 0.09584210064242 132.905 > 20 78 Cs 0.74141140749852 0.42710295931704 0.09584210064242 132.905 > 20 79 Cs 0.24141140749852 0.92710295931704 0.09584210064242 132.905 > 20 80 Cs 0.74141140749852 0.92710295931704 0.09584210064242 132.905 > 20 81 Cs 0.25858859250148 0.17710295931704 0.40415789935758 132.905 > 21 82 Cs 0.75858859250148 0.17710295931704 0.40415789935758 132.905 > 21 83 Cs 0.25858859250148 0.67710295931704 0.40415789935758 132.905 > 21 84 Cs 0.75858859250148 0.67710295931704 0.40415789935758 132.905 > 21 *85 Cs 0.14675581036747 0.01302791674624 0.54438525263338 132.905 > 22 86 Cs 0.64675581036747 0.01302791674624 0.54438525263338 132.905 > 22 87 Cs 0.14675581036747 0.51302791674624 0.54438525263338 132.905 > 22 88 Cs 0.64675581036747 0.51302791674624 0.54438525263338 132.905 > 22 89 Cs 0.35324418963253 0.26302791674624 0.95561474736662 132.905 > 23 90 Cs 0.85324418963253 0.26302791674624 0.95561474736662 132.905 > 23 91 Cs 0.35324418963253 0.76302791674624 0.95561474736662 132.905 > 23 92 Cs 0.85324418963253 0.76302791674624 0.95561474736662 132.905 > 23 93 Cs 0.35324418963253 0.48697208325376 0.45561474736662 132.905 > 24 94 Cs 0.85324418963253 0.48697208325376 0.45561474736662 132.905 > 24 95 Cs 0.35324418963253 0.98697208325376 0.45561474736662 132.905 > 24 96 Cs 0.85324418963253 0.98697208325376 0.45561474736662 132.905 > 24 97 Cs 0.14675581036747 0.23697208325376 0.04438525263338 132.905 > 25 98 Cs 0.64675581036747 0.23697208325376 0.04438525263338 132.905 > 25 99 Cs 0.14675581036747 0.73697208325376 0.04438525263338 132.905 > 25 100 Cs 0.64675581036747 0.73697208325376 0.04438525263338 132.905 > 25 *101 Cs 0.05773907468787 0.36271328159669 0.72729877198468 132.905 > 26 102 Cs 0.55773907468787 0.36271328159669 0.72729877198468 132.905 > 26 103 Cs 0.05773907468787 0.86271328159669 0.72729877198468 132.905 > 26 104 Cs 0.55773907468787 0.86271328159669 0.72729877198468 132.905 > 26 105 Cs 0.44226092531213 0.11271328159669 0.77270122801532 132.905 > 27 106 Cs 0.94226092531213 0.11271328159669 0.77270122801532 132.905 > 27 107 Cs 0.44226092531213 0.61271328159669 0.77270122801532 132.905 > 27 108 Cs 0.94226092531213 0.61271328159669 0.77270122801532 132.905 > 27 109 Cs 0.44226092531213 0.13728671840331 0.27270122801532 132.905 > 28 110 Cs 0.94226092531213 0.13728671840331 0.27270122801532 132.905 > 28 111 Cs 0.44226092531213 0.63728671840331 0.27270122801532 132.905 > 28 112 Cs 0.94226092531213 0.63728671840331 0.27270122801532 132.905 > 28 113 Cs 0.05773907468787 0.38728671840331 0.22729877198468 132.905 > 29 114 Cs 0.55773907468787 0.38728671840331 0.22729877198468 132.905 > 29 115 Cs 0.05773907468787 0.88728671840331 0.22729877198468 132.905 > 29 116 Cs 0.55773907468787 0.88728671840331 0.22729877198468 132.905 > 29 117 Cs 0.25858859250148 0.07289704068296 0.90415789935758 132.905 > 30 118 Cs 0.75858859250148 0.07289704068296 0.90415789935758 132.905 > 30 119 Cs 0.25858859250148 0.57289704068296 0.90415789935758 132.905 > 30 120 Cs 0.75858859250148 0.57289704068296 0.90415789935758 132.905 > 30----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.1952270 0.0000000 0.0162151 0.0000000 3.2396598 0.0000000 0.0162103 0.0000000 3.1847574-------------------------- Born effective charges -------------------------- 1 O -2.0019443 0.2277458 -0.1237576 0.3233993 -2.2218943 0.3114677 -0.1042344 0.2337026 -1.7857734 2 O -1.2874153 -0.3301742 -0.3594119 -0.2540741 -2.5794760 -1.0294367 -0.3703122 -0.9922525 -2.3608874 3 O -1.2874153 0.3301742 -0.3594119 0.2540741 -2.5794760 1.0294367 -0.3703122 0.9922525 -2.3608874 4 O -1.7345855 -0.0820138 0.2103255 0.0027829 -1.8857155 0.2420911 0.2967046 0.2786580 -2.3186114 5 O -2.0019443 -0.2277458 -0.1237576 -0.3233993 -2.2218943 -0.3114677 -0.1042344 -0.2337026 -1.7857734 6 O -2.0019443 0.2277458 -0.1237576 0.3233993 -2.2218943 0.3114677 -0.1042344 0.2337026 -1.7857734 7 O -2.0019443 -0.2277458 -0.1237576 -0.3233993 -2.2218943 -0.3114677 -0.1042344 -0.2337026 -1.7857734 8 O -2.4581744 0.1081542 -0.0185656 0.1291615 -1.8227665 0.0217408 -0.0652111 0.0153422 -1.5644604 9 O -2.4581744 -0.1081542 -0.0185656 -0.1291615 -1.8227665 -0.0217408 -0.0652111 -0.0153422 -1.5644604 10 O -2.4581744 0.1081542 -0.0185656 0.1291615 -1.8227665 0.0217408 -0.0652111 0.0153422 -1.5644604 11 O -2.4581744 -0.1081542 -0.0185656 -0.1291615 -1.8227665 -0.0217408 -0.0652111 -0.0153422 -1.5644604 12 O -1.7345855 0.0820138 0.2103255 -0.0027829 -1.8857155 -0.2420911 0.2967046 -0.2786580 -2.3186114 13 O -1.7345855 -0.0820138 0.2103255 0.0027829 -1.8857155 0.2420911 0.2967046 0.2786580 -2.3186114 14 O -1.7345855 0.0820138 0.2103255 -0.0027829 -1.8857155 -0.2420911 0.2967046 -0.2786580 -2.3186114 15 Si 2.6925865 -0.0875583 0.0818229 -0.0311910 2.8849232 -0.0998709 0.0529173 -0.0773679 2.9637392 16 Si 2.6925865 0.0875583 0.0818229 0.0311910 2.8849232 0.0998709 0.0529173 0.0773679 2.9637392 17 Si 2.6925865 -0.0875583 0.0818229 -0.0311910 2.8849232 -0.0998709 0.0529173 -0.0773679 2.9637392 18 Si 2.6925865 0.0875583 0.0818229 0.0311910 2.8849232 0.0998709 0.0529173 0.0773679 2.9637392 19 Cs 1.4447241 0.1477058 0.0919501 0.1615510 1.4463748 0.0923188 0.0990295 0.0790824 1.2244728 20 Cs 1.4447241 -0.1477058 0.0919501 -0.1615510 1.4463748 -0.0923188 0.0990295 -0.0790824 1.2244728 21 Cs 1.4447241 0.1477058 0.0919501 0.1615510 1.4463748 0.0923188 0.0990295 0.0790824 1.2244728 22 Cs 1.2887249 -0.0656103 0.0936775 -0.0838062 1.5575021 0.0112474 0.0899125 0.0027942 1.3258307 23 Cs 1.2887249 0.0656103 0.0936775 0.0838062 1.5575021 -0.0112474 0.0899125 -0.0027942 1.3258307 24 Cs 1.2887249 -0.0656103 0.0936775 -0.0838062 1.5575021 0.0112474 0.0899125 0.0027942 1.3258307 25 Cs 1.2887249 0.0656103 0.0936775 0.0838062 1.5575021 -0.0112474 0.0899125 -0.0027942 1.3258307 26 Cs 1.4123763 -0.1613901 -0.1557468 -0.1609668 1.3313144 0.0932069 -0.1839623 0.0944143 1.3352463 27 Cs 1.4123763 0.1613901 -0.1557468 0.1609668 1.3313144 -0.0932069 -0.1839623 -0.0944143 1.3352463 28 Cs 1.4123763 -0.1613901 -0.1557468 -0.1609668 1.3313144 0.0932069 -0.1839623 0.0944143 1.3352463 29 Cs 1.4123763 0.1613901 -0.1557468 0.1609668 1.3313144 -0.0932069 -0.1839623 -0.0944143 1.3352463 30 Cs 1.4447241 -0.1477058 0.0919501 -0.1615510 1.4463748 -0.0923188 0.0990295 -0.0790824 1.2244728----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 360/360Permutation basis: 16560/16560Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 4194Number of blocks in projector: 4194Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 902Use submatrix version of eigh solver.(1) Block: 500 / 902 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 485 eigenvectors found.(1) Block: 902 / 902(1) 386 eigenvectors found.(1) Complementary block size: 31(1) Compute compressed projector.(1) Use standard solver.(1) 15 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 902Use submatrix version of eigh solver.(1) Block: 500 / 902 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 485 eigenvectors found.(1) Block: 902 / 902(1) 386 eigenvectors found.(1) Complementary block size: 31(1) Compute compressed projector.(1) Use standard solver.(1) 15 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 902Use submatrix version of eigh solver.(1) Block: 500 / 902 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found.(1) 485 eigenvectors found.(1) Block: 902 / 902(1) 392 eigenvectors found.(1) Complementary block size: 25(1) Compute compressed projector.(1) Use standard solver.(1) 10 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 496Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 496Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 496Use standard eigh solver.Tree of FC basis block matrices:- (4194, 4123), data: False|-- (496, 488), data: True|-- (496, 488), data: True|-- (496, 488), data: True|-- (902, 887), data: False |-- (902, 10), data: (902, 25) @ (25, 10) |-- (402, 392), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True|-- (902, 886), data: False |-- (902, 15), data: (902, 31) @ (31, 15) |-- (402, 386), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True|-- (902, 886), data: False |-- (902, 15), data: (902, 31) @ (31, 15) |-- (402, 386), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True-----Solver_atoms: 1 -- 120 / 120Time (Solver_compr_matrix_reshape): 0.007Solver_block: 100 / 960 - Time: 1.358Solver_block: 200 / 960 - Time: 1.182Solver_block: 300 / 960 - Time: 1.109Solver_block: 400 / 960 - Time: 1.100Solver_block: 500 / 960 - Time: 1.494Solver_block: 600 / 960 - Time: 1.234Solver_block: 700 / 960 - Time: 1.115Solver_block: 800 / 960 - Time: 1.224Solver_block: 900 / 960 - Time: 1.212Solver_block: 960 / 960 - Time: 0.754Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.285--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 360/360Permutation basis: 16560/16560Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 4194Number of blocks in projector: 4194Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 902Use submatrix version of eigh solver.(1) Block: 500 / 902 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 485 eigenvectors found.(1) Block: 902 / 902(1) 386 eigenvectors found.(1) Complementary block size: 31(1) Compute compressed projector.(1) Use standard solver.(1) 15 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 902Use submatrix version of eigh solver.(1) Block: 500 / 902 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 485 eigenvectors found.(1) Block: 902 / 902(1) 386 eigenvectors found.(1) Complementary block size: 31(1) Compute compressed projector.(1) Use standard solver.(1) 15 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 902Use submatrix version of eigh solver.(1) Block: 500 / 902 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found.(1) 485 eigenvectors found.(1) Block: 902 / 902(1) 392 eigenvectors found.(1) Complementary block size: 25(1) Compute compressed projector.(1) Use standard solver.(1) 10 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 496Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 496Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 496Use standard eigh solver.Tree of FC basis block matrices:- (4194, 4123), data: False|-- (496, 488), data: True|-- (496, 488), data: True|-- (496, 488), data: True|-- (902, 887), data: False |-- (902, 10), data: (902, 25) @ (25, 10) |-- (402, 392), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True|-- (902, 886), data: False |-- (902, 15), data: (902, 31) @ (31, 15) |-- (402, 386), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True|-- (902, 886), data: False |-- (902, 15), data: (902, 31) @ (31, 15) |-- (402, 386), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 04:23:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 04:23:59]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 2 1]Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 7.088757023095213 0.000000000000000 0.000000000000000 b 0.000000000000000 9.498024449999999 0.000000000000000 c -7.007765907053662 0.000000000000000 9.578641930624475Atomic positions (fractional): 1 O 0.00354733857424 0.72892757371331 0.93622861604701 15.999 2 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 3 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 4 O 0.22259839227446 0.07559998795467 0.27014518359452 15.999 5 O 0.99645266142576 0.22892757371331 0.56377138395299 15.999 6 O 0.99645266142576 0.27107242628669 0.06377138395299 15.999 7 O 0.00354733857424 0.77107242628669 0.43622861604701 15.999 8 O 0.39813724666520 0.34639367281427 0.62747517469359 15.999 9 O 0.60186275333480 0.84639367281427 0.87252482530641 15.999 10 O 0.60186275333480 0.65360632718573 0.37252482530641 15.999 11 O 0.39813724666520 0.15360632718573 0.12747517469359 15.999 12 O 0.22259839227446 0.42440001204533 0.77014518359452 15.999 13 O 0.77740160772554 0.92440001204533 0.72985481640548 15.999 14 O 0.77740160772554 0.57559998795467 0.22985481640548 15.999 15 Si 0.16104388489390 0.37114226176348 0.62007707259969 28.085 16 Si 0.16104388489390 0.12885773823652 0.12007707259969 28.085 17 Si 0.83895611510610 0.62885773823652 0.37992292740031 28.085 18 Si 0.83895611510610 0.87114226176348 0.87992292740031 28.085 19 Cs 0.48282281499703 0.64579408136592 0.59584210064242 132.905 20 Cs 0.48282281499703 0.85420591863408 0.09584210064242 132.905 21 Cs 0.51717718500296 0.35420591863408 0.40415789935758 132.905 22 Cs 0.29351162073495 0.02605583349249 0.54438525263338 132.905 23 Cs 0.70648837926505 0.52605583349248 0.95561474736662 132.905 24 Cs 0.70648837926505 0.97394416650752 0.45561474736662 132.905 25 Cs 0.29351162073495 0.47394416650751 0.04438525263338 132.905 26 Cs 0.11547814937575 0.72542656319338 0.72729877198468 132.905 27 Cs 0.88452185062425 0.22542656319338 0.77270122801532 132.905 28 Cs 0.88452185062425 0.27457343680662 0.27270122801532 132.905 29 Cs 0.11547814937575 0.77457343680662 0.22729877198468 132.905 30 Cs 0.51717718500296 0.14579408136592 0.90415789935758 132.905-------------------------------- supercell ---------------------------------Lattice vectors: a 14.177514046190426 0.000000000000000 0.000000000000000 b 0.000000000000000 18.996048899999998 0.000000000000000 c -7.007765907053662 0.000000000000000 9.578641930624475Atomic positions (fractional): 1 O 0.00177366928712 0.36446378685666 0.93622861604701 15.999 > 1 2 O 0.50177366928712 0.36446378685666 0.93622861604701 15.999 > 1 3 O 0.00177366928712 0.86446378685666 0.93622861604701 15.999 > 1 4 O 0.50177366928712 0.86446378685666 0.93622861604701 15.999 > 1 5 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 5 6 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 5 7 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 5 8 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 5 9 O 0.00000000000000 0.25000000000000 0.50000000000000 15.999 > 9 10 O 0.50000000000000 0.25000000000000 0.50000000000000 15.999 > 9 11 O 0.00000000000000 0.75000000000000 0.50000000000000 15.999 > 9 12 O 0.50000000000000 0.75000000000000 0.50000000000000 15.999 > 9 13 O 0.11129919613723 0.03779999397733 0.27014518359452 15.999 > 13 14 O 0.61129919613723 0.03779999397733 0.27014518359452 15.999 > 13 15 O 0.11129919613723 0.53779999397733 0.27014518359452 15.999 > 13 16 O 0.61129919613723 0.53779999397733 0.27014518359452 15.999 > 13 17 O 0.49822633071288 0.11446378685666 0.56377138395299 15.999 > 17 18 O 0.99822633071288 0.11446378685666 0.56377138395299 15.999 > 17 19 O 0.49822633071288 0.61446378685666 0.56377138395299 15.999 > 17 20 O 0.99822633071288 0.61446378685666 0.56377138395299 15.999 > 17 21 O 0.49822633071288 0.13553621314334 0.06377138395299 15.999 > 21 22 O 0.99822633071288 0.13553621314334 0.06377138395299 15.999 > 21 23 O 0.49822633071288 0.63553621314334 0.06377138395299 15.999 > 21 24 O 0.99822633071288 0.63553621314334 0.06377138395299 15.999 > 21 25 O 0.00177366928712 0.38553621314334 0.43622861604701 15.999 > 25 26 O 0.50177366928712 0.38553621314334 0.43622861604701 15.999 > 25 27 O 0.00177366928712 0.88553621314334 0.43622861604701 15.999 > 25 28 O 0.50177366928712 0.88553621314334 0.43622861604701 15.999 > 25 29 O 0.19906862333260 0.17319683640713 0.62747517469359 15.999 > 29 30 O 0.69906862333260 0.17319683640713 0.62747517469359 15.999 > 29 31 O 0.19906862333260 0.67319683640713 0.62747517469359 15.999 > 29 32 O 0.69906862333260 0.67319683640713 0.62747517469359 15.999 > 29 33 O 0.30093137666740 0.42319683640713 0.87252482530641 15.999 > 33 34 O 0.80093137666740 0.42319683640713 0.87252482530641 15.999 > 33 35 O 0.30093137666740 0.92319683640713 0.87252482530641 15.999 > 33 36 O 0.80093137666740 0.92319683640713 0.87252482530641 15.999 > 33 37 O 0.30093137666740 0.32680316359287 0.37252482530641 15.999 > 37 38 O 0.80093137666740 0.32680316359287 0.37252482530641 15.999 > 37 39 O 0.30093137666740 0.82680316359287 0.37252482530641 15.999 > 37 40 O 0.80093137666740 0.82680316359287 0.37252482530641 15.999 > 37 41 O 0.19906862333260 0.07680316359287 0.12747517469359 15.999 > 41 42 O 0.69906862333260 0.07680316359287 0.12747517469359 15.999 > 41 43 O 0.19906862333260 0.57680316359287 0.12747517469359 15.999 > 41 44 O 0.69906862333260 0.57680316359287 0.12747517469359 15.999 > 41 45 O 0.11129919613723 0.21220000602267 0.77014518359452 15.999 > 45 46 O 0.61129919613723 0.21220000602267 0.77014518359452 15.999 > 45 47 O 0.11129919613723 0.71220000602267 0.77014518359452 15.999 > 45 48 O 0.61129919613723 0.71220000602267 0.77014518359452 15.999 > 45 49 O 0.38870080386277 0.46220000602267 0.72985481640548 15.999 > 49 50 O 0.88870080386277 0.46220000602267 0.72985481640548 15.999 > 49 51 O 0.38870080386277 0.96220000602267 0.72985481640548 15.999 > 49 52 O 0.88870080386277 0.96220000602267 0.72985481640548 15.999 > 49 53 O 0.38870080386277 0.28779999397733 0.22985481640548 15.999 > 53 54 O 0.88870080386277 0.28779999397733 0.22985481640548 15.999 > 53 55 O 0.38870080386277 0.78779999397733 0.22985481640548 15.999 > 53 56 O 0.88870080386277 0.78779999397733 0.22985481640548 15.999 > 53 57 Si 0.08052194244695 0.18557113088174 0.62007707259969 28.085 > 57 58 Si 0.58052194244695 0.18557113088174 0.62007707259969 28.085 > 57 59 Si 0.08052194244695 0.68557113088174 0.62007707259969 28.085 > 57 60 Si 0.58052194244695 0.68557113088174 0.62007707259969 28.085 > 57 61 Si 0.08052194244695 0.06442886911826 0.12007707259969 28.085 > 61 62 Si 0.58052194244695 0.06442886911826 0.12007707259969 28.085 > 61 63 Si 0.08052194244695 0.56442886911826 0.12007707259969 28.085 > 61 64 Si 0.58052194244695 0.56442886911826 0.12007707259969 28.085 > 61 65 Si 0.41947805755305 0.31442886911826 0.37992292740031 28.085 > 65 66 Si 0.91947805755305 0.31442886911826 0.37992292740031 28.085 > 65 67 Si 0.41947805755305 0.81442886911826 0.37992292740031 28.085 > 65 68 Si 0.91947805755305 0.81442886911826 0.37992292740031 28.085 > 65 69 Si 0.41947805755305 0.43557113088174 0.87992292740031 28.085 > 69 70 Si 0.91947805755305 0.43557113088174 0.87992292740031 28.085 > 69 71 Si 0.41947805755305 0.93557113088174 0.87992292740031 28.085 > 69 72 Si 0.91947805755305 0.93557113088174 0.87992292740031 28.085 > 69 73 Cs 0.24141140749852 0.32289704068296 0.59584210064242 132.905 > 73 74 Cs 0.74141140749852 0.32289704068296 0.59584210064242 132.905 > 73 75 Cs 0.24141140749852 0.82289704068296 0.59584210064242 132.905 > 73 76 Cs 0.74141140749852 0.82289704068296 0.59584210064242 132.905 > 73 77 Cs 0.24141140749852 0.42710295931704 0.09584210064242 132.905 > 77 78 Cs 0.74141140749852 0.42710295931704 0.09584210064242 132.905 > 77 79 Cs 0.24141140749852 0.92710295931704 0.09584210064242 132.905 > 77 80 Cs 0.74141140749852 0.92710295931704 0.09584210064242 132.905 > 77 81 Cs 0.25858859250148 0.17710295931704 0.40415789935758 132.905 > 81 82 Cs 0.75858859250148 0.17710295931704 0.40415789935758 132.905 > 81 83 Cs 0.25858859250148 0.67710295931704 0.40415789935758 132.905 > 81 84 Cs 0.75858859250148 0.67710295931704 0.40415789935758 132.905 > 81 85 Cs 0.14675581036747 0.01302791674624 0.54438525263338 132.905 > 85 86 Cs 0.64675581036747 0.01302791674624 0.54438525263338 132.905 > 85 87 Cs 0.14675581036747 0.51302791674624 0.54438525263338 132.905 > 85 88 Cs 0.64675581036747 0.51302791674624 0.54438525263338 132.905 > 85 89 Cs 0.35324418963253 0.26302791674624 0.95561474736662 132.905 > 89 90 Cs 0.85324418963253 0.26302791674624 0.95561474736662 132.905 > 89 91 Cs 0.35324418963253 0.76302791674624 0.95561474736662 132.905 > 89 92 Cs 0.85324418963253 0.76302791674624 0.95561474736662 132.905 > 89 93 Cs 0.35324418963253 0.48697208325376 0.45561474736662 132.905 > 93 94 Cs 0.85324418963253 0.48697208325376 0.45561474736662 132.905 > 93 95 Cs 0.35324418963253 0.98697208325376 0.45561474736662 132.905 > 93 96 Cs 0.85324418963253 0.98697208325376 0.45561474736662 132.905 > 93 97 Cs 0.14675581036747 0.23697208325376 0.04438525263338 132.905 > 97 98 Cs 0.64675581036747 0.23697208325376 0.04438525263338 132.905 > 97 99 Cs 0.14675581036747 0.73697208325376 0.04438525263338 132.905 > 97 100 Cs 0.64675581036747 0.73697208325376 0.04438525263338 132.905 > 97 101 Cs 0.05773907468787 0.36271328159669 0.72729877198468 132.905 > 101 102 Cs 0.55773907468787 0.36271328159669 0.72729877198468 132.905 > 101 103 Cs 0.05773907468787 0.86271328159669 0.72729877198468 132.905 > 101 104 Cs 0.55773907468787 0.86271328159669 0.72729877198468 132.905 > 101 105 Cs 0.44226092531213 0.11271328159669 0.77270122801532 132.905 > 105 106 Cs 0.94226092531213 0.11271328159669 0.77270122801532 132.905 > 105 107 Cs 0.44226092531213 0.61271328159669 0.77270122801532 132.905 > 105 108 Cs 0.94226092531213 0.61271328159669 0.77270122801532 132.905 > 105 109 Cs 0.44226092531213 0.13728671840331 0.27270122801532 132.905 > 109 110 Cs 0.94226092531213 0.13728671840331 0.27270122801532 132.905 > 109 111 Cs 0.44226092531213 0.63728671840331 0.27270122801532 132.905 > 109 112 Cs 0.94226092531213 0.63728671840331 0.27270122801532 132.905 > 109 113 Cs 0.05773907468787 0.38728671840331 0.22729877198468 132.905 > 113 114 Cs 0.55773907468787 0.38728671840331 0.22729877198468 132.905 > 113 115 Cs 0.05773907468787 0.88728671840331 0.22729877198468 132.905 > 113 116 Cs 0.55773907468787 0.88728671840331 0.22729877198468 132.905 > 113 117 Cs 0.25858859250148 0.07289704068296 0.90415789935758 132.905 > 117 118 Cs 0.75858859250148 0.07289704068296 0.90415789935758 132.905 > 117 119 Cs 0.25858859250148 0.57289704068296 0.90415789935758 132.905 > 117 120 Cs 0.75858859250148 0.57289704068296 0.90415789935758 132.905 > 117----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.1952270 0.0000000 0.0162151 0.0000000 3.2396598 0.0000000 0.0162103 0.0000000 3.1847574-------------------------- Born effective charges -------------------------- 1 O -2.0019443 0.2277458 -0.1237576 0.3233993 -2.2218943 0.3114677 -0.1042344 0.2337026 -1.7857734 2 O -1.2874153 -0.3301742 -0.3594119 -0.2540741 -2.5794760 -1.0294367 -0.3703122 -0.9922525 -2.3608874 3 O -1.2874153 0.3301742 -0.3594119 0.2540741 -2.5794760 1.0294367 -0.3703122 0.9922525 -2.3608874 4 O -1.7345855 -0.0820138 0.2103255 0.0027829 -1.8857155 0.2420911 0.2967046 0.2786580 -2.3186114 5 O -2.0019443 -0.2277458 -0.1237576 -0.3233993 -2.2218943 -0.3114677 -0.1042344 -0.2337026 -1.7857734 6 O -2.0019443 0.2277458 -0.1237576 0.3233993 -2.2218943 0.3114677 -0.1042344 0.2337026 -1.7857734 7 O -2.0019443 -0.2277458 -0.1237576 -0.3233993 -2.2218943 -0.3114677 -0.1042344 -0.2337026 -1.7857734 8 O -2.4581744 0.1081542 -0.0185656 0.1291615 -1.8227665 0.0217408 -0.0652111 0.0153422 -1.5644604 9 O -2.4581744 -0.1081542 -0.0185656 -0.1291615 -1.8227665 -0.0217408 -0.0652111 -0.0153422 -1.5644604 10 O -2.4581744 0.1081542 -0.0185656 0.1291615 -1.8227665 0.0217408 -0.0652111 0.0153422 -1.5644604 11 O -2.4581744 -0.1081542 -0.0185656 -0.1291615 -1.8227665 -0.0217408 -0.0652111 -0.0153422 -1.5644604 12 O -1.7345855 0.0820138 0.2103255 -0.0027829 -1.8857155 -0.2420911 0.2967046 -0.2786580 -2.3186114 13 O -1.7345855 -0.0820138 0.2103255 0.0027829 -1.8857155 0.2420911 0.2967046 0.2786580 -2.3186114 14 O -1.7345855 0.0820138 0.2103255 -0.0027829 -1.8857155 -0.2420911 0.2967046 -0.2786580 -2.3186114 15 Si 2.6925865 -0.0875583 0.0818229 -0.0311910 2.8849232 -0.0998709 0.0529173 -0.0773679 2.9637392 16 Si 2.6925865 0.0875583 0.0818229 0.0311910 2.8849232 0.0998709 0.0529173 0.0773679 2.9637392 17 Si 2.6925865 -0.0875583 0.0818229 -0.0311910 2.8849232 -0.0998709 0.0529173 -0.0773679 2.9637392 18 Si 2.6925865 0.0875583 0.0818229 0.0311910 2.8849232 0.0998709 0.0529173 0.0773679 2.9637392 19 Cs 1.4447241 0.1477058 0.0919501 0.1615510 1.4463748 0.0923188 0.0990295 0.0790824 1.2244728 20 Cs 1.4447241 -0.1477058 0.0919501 -0.1615510 1.4463748 -0.0923188 0.0990295 -0.0790824 1.2244728 21 Cs 1.4447241 0.1477058 0.0919501 0.1615510 1.4463748 0.0923188 0.0990295 0.0790824 1.2244728 22 Cs 1.2887249 -0.0656103 0.0936775 -0.0838062 1.5575021 0.0112474 0.0899125 0.0027942 1.3258307 23 Cs 1.2887249 0.0656103 0.0936775 0.0838062 1.5575021 -0.0112474 0.0899125 -0.0027942 1.3258307 24 Cs 1.2887249 -0.0656103 0.0936775 -0.0838062 1.5575021 0.0112474 0.0899125 0.0027942 1.3258307 25 Cs 1.2887249 0.0656103 0.0936775 0.0838062 1.5575021 -0.0112474 0.0899125 -0.0027942 1.3258307 26 Cs 1.4123763 -0.1613901 -0.1557468 -0.1609668 1.3313144 0.0932069 -0.1839623 0.0944143 1.3352463 27 Cs 1.4123763 0.1613901 -0.1557468 0.1609668 1.3313144 -0.0932069 -0.1839623 -0.0944143 1.3352463 28 Cs 1.4123763 -0.1613901 -0.1557468 -0.1609668 1.3313144 0.0932069 -0.1839623 0.0944143 1.3352463 29 Cs 1.4123763 0.1613901 -0.1557468 0.1609668 1.3313144 -0.0932069 -0.1839623 -0.0944143 1.3352463 30 Cs 1.4447241 -0.1477058 0.0919501 -0.1615510 1.4463748 -0.0923188 0.0990295 -0.0790824 1.2244728----------------------------------------------------------------------------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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081]Computing fc3[ 5, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081]Computing fc3[ 13, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081]Computing fc3[ 29, 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081]Computing fc3[ 57, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081]Computing fc3[ 73, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081]Computing fc3[ 85, 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081]Computing fc3[ 101, 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 04:24:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 04:24:43]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 2 1]Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 7.088757023095213 0.000000000000000 0.000000000000000 b 0.000000000000000 9.498024449999999 0.000000000000000 c -7.007765907053662 0.000000000000000 9.578641930624475Atomic positions (fractional): 1 O 0.00354733857424 0.72892757371331 0.93622861604701 15.999 2 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 3 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 4 O 0.22259839227446 0.07559998795467 0.27014518359452 15.999 5 O 0.99645266142576 0.22892757371331 0.56377138395299 15.999 6 O 0.99645266142576 0.27107242628669 0.06377138395299 15.999 7 O 0.00354733857424 0.77107242628669 0.43622861604701 15.999 8 O 0.39813724666520 0.34639367281427 0.62747517469359 15.999 9 O 0.60186275333480 0.84639367281427 0.87252482530641 15.999 10 O 0.60186275333480 0.65360632718573 0.37252482530641 15.999 11 O 0.39813724666520 0.15360632718573 0.12747517469359 15.999 12 O 0.22259839227446 0.42440001204533 0.77014518359452 15.999 13 O 0.77740160772554 0.92440001204533 0.72985481640548 15.999 14 O 0.77740160772554 0.57559998795467 0.22985481640548 15.999 15 Si 0.16104388489390 0.37114226176348 0.62007707259969 28.085 16 Si 0.16104388489390 0.12885773823652 0.12007707259969 28.085 17 Si 0.83895611510610 0.62885773823652 0.37992292740031 28.085 18 Si 0.83895611510610 0.87114226176348 0.87992292740031 28.085 19 Cs 0.48282281499703 0.64579408136592 0.59584210064242 132.905 20 Cs 0.48282281499703 0.85420591863408 0.09584210064242 132.905 21 Cs 0.51717718500296 0.35420591863408 0.40415789935758 132.905 22 Cs 0.29351162073495 0.02605583349249 0.54438525263338 132.905 23 Cs 0.70648837926505 0.52605583349248 0.95561474736662 132.905 24 Cs 0.70648837926505 0.97394416650752 0.45561474736662 132.905 25 Cs 0.29351162073495 0.47394416650751 0.04438525263338 132.905 26 Cs 0.11547814937575 0.72542656319338 0.72729877198468 132.905 27 Cs 0.88452185062425 0.22542656319338 0.77270122801532 132.905 28 Cs 0.88452185062425 0.27457343680662 0.27270122801532 132.905 29 Cs 0.11547814937575 0.77457343680662 0.22729877198468 132.905 30 Cs 0.51717718500296 0.14579408136592 0.90415789935758 132.905-------------------------------- supercell ---------------------------------Lattice vectors: a 14.177514046190426 0.000000000000000 0.000000000000000 b 0.000000000000000 18.996048899999998 0.000000000000000 c -7.007765907053662 0.000000000000000 9.578641930624475Atomic positions (fractional): 1 O 0.00177366928712 0.36446378685666 0.93622861604701 15.999 > 1 2 O 0.50177366928712 0.36446378685666 0.93622861604701 15.999 > 1 3 O 0.00177366928712 0.86446378685666 0.93622861604701 15.999 > 1 4 O 0.50177366928712 0.86446378685666 0.93622861604701 15.999 > 1 5 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 5 6 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 5 7 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 5 8 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 5 9 O 0.00000000000000 0.25000000000000 0.50000000000000 15.999 > 9 10 O 0.50000000000000 0.25000000000000 0.50000000000000 15.999 > 9 11 O 0.00000000000000 0.75000000000000 0.50000000000000 15.999 > 9 12 O 0.50000000000000 0.75000000000000 0.50000000000000 15.999 > 9 13 O 0.11129919613723 0.03779999397733 0.27014518359452 15.999 > 13 14 O 0.61129919613723 0.03779999397733 0.27014518359452 15.999 > 13 15 O 0.11129919613723 0.53779999397733 0.27014518359452 15.999 > 13 16 O 0.61129919613723 0.53779999397733 0.27014518359452 15.999 > 13 17 O 0.49822633071288 0.11446378685666 0.56377138395299 15.999 > 17 18 O 0.99822633071288 0.11446378685666 0.56377138395299 15.999 > 17 19 O 0.49822633071288 0.61446378685666 0.56377138395299 15.999 > 17 20 O 0.99822633071288 0.61446378685666 0.56377138395299 15.999 > 17 21 O 0.49822633071288 0.13553621314334 0.06377138395299 15.999 > 21 22 O 0.99822633071288 0.13553621314334 0.06377138395299 15.999 > 21 23 O 0.49822633071288 0.63553621314334 0.06377138395299 15.999 > 21 24 O 0.99822633071288 0.63553621314334 0.06377138395299 15.999 > 21 25 O 0.00177366928712 0.38553621314334 0.43622861604701 15.999 > 25 26 O 0.50177366928712 0.38553621314334 0.43622861604701 15.999 > 25 27 O 0.00177366928712 0.88553621314334 0.43622861604701 15.999 > 25 28 O 0.50177366928712 0.88553621314334 0.43622861604701 15.999 > 25 29 O 0.19906862333260 0.17319683640713 0.62747517469359 15.999 > 29 30 O 0.69906862333260 0.17319683640713 0.62747517469359 15.999 > 29 31 O 0.19906862333260 0.67319683640713 0.62747517469359 15.999 > 29 32 O 0.69906862333260 0.67319683640713 0.62747517469359 15.999 > 29 33 O 0.30093137666740 0.42319683640713 0.87252482530641 15.999 > 33 34 O 0.80093137666740 0.42319683640713 0.87252482530641 15.999 > 33 35 O 0.30093137666740 0.92319683640713 0.87252482530641 15.999 > 33 36 O 0.80093137666740 0.92319683640713 0.87252482530641 15.999 > 33 37 O 0.30093137666740 0.32680316359287 0.37252482530641 15.999 > 37 38 O 0.80093137666740 0.32680316359287 0.37252482530641 15.999 > 37 39 O 0.30093137666740 0.82680316359287 0.37252482530641 15.999 > 37 40 O 0.80093137666740 0.82680316359287 0.37252482530641 15.999 > 37 41 O 0.19906862333260 0.07680316359287 0.12747517469359 15.999 > 41 42 O 0.69906862333260 0.07680316359287 0.12747517469359 15.999 > 41 43 O 0.19906862333260 0.57680316359287 0.12747517469359 15.999 > 41 44 O 0.69906862333260 0.57680316359287 0.12747517469359 15.999 > 41 45 O 0.11129919613723 0.21220000602267 0.77014518359452 15.999 > 45 46 O 0.61129919613723 0.21220000602267 0.77014518359452 15.999 > 45 47 O 0.11129919613723 0.71220000602267 0.77014518359452 15.999 > 45 48 O 0.61129919613723 0.71220000602267 0.77014518359452 15.999 > 45 49 O 0.38870080386277 0.46220000602267 0.72985481640548 15.999 > 49 50 O 0.88870080386277 0.46220000602267 0.72985481640548 15.999 > 49 51 O 0.38870080386277 0.96220000602267 0.72985481640548 15.999 > 49 52 O 0.88870080386277 0.96220000602267 0.72985481640548 15.999 > 49 53 O 0.38870080386277 0.28779999397733 0.22985481640548 15.999 > 53 54 O 0.88870080386277 0.28779999397733 0.22985481640548 15.999 > 53 55 O 0.38870080386277 0.78779999397733 0.22985481640548 15.999 > 53 56 O 0.88870080386277 0.78779999397733 0.22985481640548 15.999 > 53 57 Si 0.08052194244695 0.18557113088174 0.62007707259969 28.085 > 57 58 Si 0.58052194244695 0.18557113088174 0.62007707259969 28.085 > 57 59 Si 0.08052194244695 0.68557113088174 0.62007707259969 28.085 > 57 60 Si 0.58052194244695 0.68557113088174 0.62007707259969 28.085 > 57 61 Si 0.08052194244695 0.06442886911826 0.12007707259969 28.085 > 61 62 Si 0.58052194244695 0.06442886911826 0.12007707259969 28.085 > 61 63 Si 0.08052194244695 0.56442886911826 0.12007707259969 28.085 > 61 64 Si 0.58052194244695 0.56442886911826 0.12007707259969 28.085 > 61 65 Si 0.41947805755305 0.31442886911826 0.37992292740031 28.085 > 65 66 Si 0.91947805755305 0.31442886911826 0.37992292740031 28.085 > 65 67 Si 0.41947805755305 0.81442886911826 0.37992292740031 28.085 > 65 68 Si 0.91947805755305 0.81442886911826 0.37992292740031 28.085 > 65 69 Si 0.41947805755305 0.43557113088174 0.87992292740031 28.085 > 69 70 Si 0.91947805755305 0.43557113088174 0.87992292740031 28.085 > 69 71 Si 0.41947805755305 0.93557113088174 0.87992292740031 28.085 > 69 72 Si 0.91947805755305 0.93557113088174 0.87992292740031 28.085 > 69 73 Cs 0.24141140749852 0.32289704068296 0.59584210064242 132.905 > 73 74 Cs 0.74141140749852 0.32289704068296 0.59584210064242 132.905 > 73 75 Cs 0.24141140749852 0.82289704068296 0.59584210064242 132.905 > 73 76 Cs 0.74141140749852 0.82289704068296 0.59584210064242 132.905 > 73 77 Cs 0.24141140749852 0.42710295931704 0.09584210064242 132.905 > 77 78 Cs 0.74141140749852 0.42710295931704 0.09584210064242 132.905 > 77 79 Cs 0.24141140749852 0.92710295931704 0.09584210064242 132.905 > 77 80 Cs 0.74141140749852 0.92710295931704 0.09584210064242 132.905 > 77 81 Cs 0.25858859250148 0.17710295931704 0.40415789935758 132.905 > 81 82 Cs 0.75858859250148 0.17710295931704 0.40415789935758 132.905 > 81 83 Cs 0.25858859250148 0.67710295931704 0.40415789935758 132.905 > 81 84 Cs 0.75858859250148 0.67710295931704 0.40415789935758 132.905 > 81 85 Cs 0.14675581036747 0.01302791674624 0.54438525263338 132.905 > 85 86 Cs 0.64675581036747 0.01302791674624 0.54438525263338 132.905 > 85 87 Cs 0.14675581036747 0.51302791674624 0.54438525263338 132.905 > 85 88 Cs 0.64675581036747 0.51302791674624 0.54438525263338 132.905 > 85 89 Cs 0.35324418963253 0.26302791674624 0.95561474736662 132.905 > 89 90 Cs 0.85324418963253 0.26302791674624 0.95561474736662 132.905 > 89 91 Cs 0.35324418963253 0.76302791674624 0.95561474736662 132.905 > 89 92 Cs 0.85324418963253 0.76302791674624 0.95561474736662 132.905 > 89 93 Cs 0.35324418963253 0.48697208325376 0.45561474736662 132.905 > 93 94 Cs 0.85324418963253 0.48697208325376 0.45561474736662 132.905 > 93 95 Cs 0.35324418963253 0.98697208325376 0.45561474736662 132.905 > 93 96 Cs 0.85324418963253 0.98697208325376 0.45561474736662 132.905 > 93 97 Cs 0.14675581036747 0.23697208325376 0.04438525263338 132.905 > 97 98 Cs 0.64675581036747 0.23697208325376 0.04438525263338 132.905 > 97 99 Cs 0.14675581036747 0.73697208325376 0.04438525263338 132.905 > 97 100 Cs 0.64675581036747 0.73697208325376 0.04438525263338 132.905 > 97 101 Cs 0.05773907468787 0.36271328159669 0.72729877198468 132.905 > 101 102 Cs 0.55773907468787 0.36271328159669 0.72729877198468 132.905 > 101 103 Cs 0.05773907468787 0.86271328159669 0.72729877198468 132.905 > 101 104 Cs 0.55773907468787 0.86271328159669 0.72729877198468 132.905 > 101 105 Cs 0.44226092531213 0.11271328159669 0.77270122801532 132.905 > 105 106 Cs 0.94226092531213 0.11271328159669 0.77270122801532 132.905 > 105 107 Cs 0.44226092531213 0.61271328159669 0.77270122801532 132.905 > 105 108 Cs 0.94226092531213 0.61271328159669 0.77270122801532 132.905 > 105 109 Cs 0.44226092531213 0.13728671840331 0.27270122801532 132.905 > 109 110 Cs 0.94226092531213 0.13728671840331 0.27270122801532 132.905 > 109 111 Cs 0.44226092531213 0.63728671840331 0.27270122801532 132.905 > 109 112 Cs 0.94226092531213 0.63728671840331 0.27270122801532 132.905 > 109 113 Cs 0.05773907468787 0.38728671840331 0.22729877198468 132.905 > 113 114 Cs 0.55773907468787 0.38728671840331 0.22729877198468 132.905 > 113 115 Cs 0.05773907468787 0.88728671840331 0.22729877198468 132.905 > 113 116 Cs 0.55773907468787 0.88728671840331 0.22729877198468 132.905 > 113 117 Cs 0.25858859250148 0.07289704068296 0.90415789935758 132.905 > 117 118 Cs 0.75858859250148 0.07289704068296 0.90415789935758 132.905 > 117 119 Cs 0.25858859250148 0.57289704068296 0.90415789935758 132.905 > 117 120 Cs 0.75858859250148 0.57289704068296 0.90415789935758 132.905 > 117----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 3.1952270 0.0000000 0.0162151 0.0000000 3.2396598 0.0000000 0.0162103 0.0000000 3.1847574-------------------------- Born effective charges -------------------------- 1 O -2.0019443 0.2277458 -0.1237576 0.3233993 -2.2218943 0.3114677 -0.1042344 0.2337026 -1.7857734 2 O -1.2874153 -0.3301742 -0.3594119 -0.2540741 -2.5794760 -1.0294367 -0.3703122 -0.9922525 -2.3608874 3 O -1.2874153 0.3301742 -0.3594119 0.2540741 -2.5794760 1.0294367 -0.3703122 0.9922525 -2.3608874 4 O -1.7345855 -0.0820138 0.2103255 0.0027829 -1.8857155 0.2420911 0.2967046 0.2786580 -2.3186114 5 O -2.0019443 -0.2277458 -0.1237576 -0.3233993 -2.2218943 -0.3114677 -0.1042344 -0.2337026 -1.7857734 6 O -2.0019443 0.2277458 -0.1237576 0.3233993 -2.2218943 0.3114677 -0.1042344 0.2337026 -1.7857734 7 O -2.0019443 -0.2277458 -0.1237576 -0.3233993 -2.2218943 -0.3114677 -0.1042344 -0.2337026 -1.7857734 8 O -2.4581744 0.1081542 -0.0185656 0.1291615 -1.8227665 0.0217408 -0.0652111 0.0153422 -1.5644604 9 O -2.4581744 -0.1081542 -0.0185656 -0.1291615 -1.8227665 -0.0217408 -0.0652111 -0.0153422 -1.5644604 10 O -2.4581744 0.1081542 -0.0185656 0.1291615 -1.8227665 0.0217408 -0.0652111 0.0153422 -1.5644604 11 O -2.4581744 -0.1081542 -0.0185656 -0.1291615 -1.8227665 -0.0217408 -0.0652111 -0.0153422 -1.5644604 12 O -1.7345855 0.0820138 0.2103255 -0.0027829 -1.8857155 -0.2420911 0.2967046 -0.2786580 -2.3186114 13 O -1.7345855 -0.0820138 0.2103255 0.0027829 -1.8857155 0.2420911 0.2967046 0.2786580 -2.3186114 14 O -1.7345855 0.0820138 0.2103255 -0.0027829 -1.8857155 -0.2420911 0.2967046 -0.2786580 -2.3186114 15 Si 2.6925865 -0.0875583 0.0818229 -0.0311910 2.8849232 -0.0998709 0.0529173 -0.0773679 2.9637392 16 Si 2.6925865 0.0875583 0.0818229 0.0311910 2.8849232 0.0998709 0.0529173 0.0773679 2.9637392 17 Si 2.6925865 -0.0875583 0.0818229 -0.0311910 2.8849232 -0.0998709 0.0529173 -0.0773679 2.9637392 18 Si 2.6925865 0.0875583 0.0818229 0.0311910 2.8849232 0.0998709 0.0529173 0.0773679 2.9637392 19 Cs 1.4447241 0.1477058 0.0919501 0.1615510 1.4463748 0.0923188 0.0990295 0.0790824 1.2244728 20 Cs 1.4447241 -0.1477058 0.0919501 -0.1615510 1.4463748 -0.0923188 0.0990295 -0.0790824 1.2244728 21 Cs 1.4447241 0.1477058 0.0919501 0.1615510 1.4463748 0.0923188 0.0990295 0.0790824 1.2244728 22 Cs 1.2887249 -0.0656103 0.0936775 -0.0838062 1.5575021 0.0112474 0.0899125 0.0027942 1.3258307 23 Cs 1.2887249 0.0656103 0.0936775 0.0838062 1.5575021 -0.0112474 0.0899125 -0.0027942 1.3258307 24 Cs 1.2887249 -0.0656103 0.0936775 -0.0838062 1.5575021 0.0112474 0.0899125 0.0027942 1.3258307 25 Cs 1.2887249 0.0656103 0.0936775 0.0838062 1.5575021 -0.0112474 0.0899125 -0.0027942 1.3258307 26 Cs 1.4123763 -0.1613901 -0.1557468 -0.1609668 1.3313144 0.0932069 -0.1839623 0.0944143 1.3352463 27 Cs 1.4123763 0.1613901 -0.1557468 0.1609668 1.3313144 -0.0932069 -0.1839623 -0.0944143 1.3352463 28 Cs 1.4123763 -0.1613901 -0.1557468 -0.1609668 1.3313144 0.0932069 -0.1839623 0.0944143 1.3352463 29 Cs 1.4123763 0.1613901 -0.1557468 0.1609668 1.3313144 -0.0932069 -0.1839623 -0.0944143 1.3352463 30 Cs 1.4447241 -0.1477058 0.0919501 -0.1615510 1.4463748 -0.0923188 0.0990295 -0.0790824 1.2244728----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx)Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 9 5 5 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.48, Number of G-points: 307, Lambda: 0.09Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/69) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency 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 0.935 ( 0.000 0.000 0.000) 0.000 1.110 ( 0.000 0.000 0.000) 0.000 1.166 ( 0.000 0.000 0.000) 0.000 1.197 ( 0.000 0.000 0.000) 0.000 1.253 ( 0.000 0.000 0.000) 0.000 1.261 ( 0.000 0.000 0.000) 0.000 1.319 ( 0.000 0.000 0.000) 0.000 1.349 ( 0.000 0.000 0.000) 0.000 1.631 ( 0.000 0.000 0.000) 0.000 1.687 ( 0.000 0.000 0.000) 0.000 1.702 ( 0.000 0.000 0.000) 0.000 1.725 ( 0.000 0.000 0.000) 0.000 1.825 ( 0.000 0.000 0.000) 0.000 1.894 ( 0.000 0.000 0.000) 0.000 1.913 ( 0.000 0.000 0.000) 0.000 1.924 ( 0.000 0.000 0.000) 0.000 1.924 ( 0.000 0.000 0.000) 0.000 2.032 ( 0.000 0.000 0.000) 0.000 2.068 ( 0.000 0.000 0.000) 0.000 2.104 ( 0.000 0.000 0.000) 0.000 2.146 ( 0.000 0.000 0.000) 0.000 2.227 ( 0.000 0.000 0.000) 0.000 2.311 ( 0.000 0.000 0.000) 0.000 2.353 ( 0.000 0.000 0.000) 0.000 2.370 ( 0.000 0.000 0.000) 0.000 2.419 ( 0.000 0.000 0.000) 0.000 2.515 ( 0.000 0.000 0.000) 0.000 2.574 ( 0.000 0.000 0.000) 0.000 2.734 ( 0.000 0.000 0.000) 0.000 2.746 ( 0.000 0.000 0.000) 0.000 2.811 ( 0.000 0.000 0.000) 0.000 2.832 ( 0.000 0.000 0.000) 0.000 2.836 ( 0.000 0.000 0.000) 0.000 2.976 ( 0.000 0.000 0.000) 0.000 3.123 ( 0.000 0.000 0.000) 0.000 3.159 ( 0.000 0.000 0.000) 0.000 3.315 ( 0.000 0.000 0.000) 0.000 3.443 ( 0.000 0.000 0.000) 0.000 3.453 ( 0.000 0.000 0.000) 0.000 3.678 ( 0.000 0.000 0.000) 0.000 3.959 ( 0.000 0.000 0.000) 0.000 3.964 ( 0.000 0.000 0.000) 0.000 4.138 ( 0.000 0.000 0.000) 0.000 4.164 ( 0.000 0.000 0.000) 0.000 4.356 ( 0.000 0.000 0.000) 0.000 4.453 ( 0.000 0.000 0.000) 0.000 4.765 ( 0.000 0.000 0.000) 0.000 4.836 ( 0.000 0.000 0.000) 0.000 5.137 ( 0.000 0.000 0.000) 0.000 5.196 ( 0.000 0.000 0.000) 0.000 5.237 ( 0.000 0.000 0.000) 0.000 7.802 ( 0.000 0.000 0.000) 0.000 8.011 ( 0.000 0.000 0.000) 0.000 8.034 ( 0.000 0.000 0.000) 0.000 8.442 ( 0.000 0.000 0.000) 0.000 8.657 ( 0.000 0.000 0.000) 0.000 8.789 ( 0.000 0.000 0.000) 0.000 9.673 ( 0.000 0.000 0.000) 0.000 9.710 ( 0.000 0.000 0.000) 0.000 10.028 ( 0.000 0.000 0.000) 0.000 10.164 ( 0.000 0.000 0.000) 0.000 12.608 ( 0.000 0.000 0.000) 0.000 12.662 ( 0.000 0.000 0.000) 0.000 12.953 ( 0.000 0.000 0.000) 0.000 13.037 ( 0.000 0.000 0.000) 0.000 13.215 ( 0.000 0.000 0.000) 0.000 13.341 ( 0.000 0.000 0.000) 0.000 13.409 ( 0.000 0.000 0.000) 0.000 13.587 ( 0.000 0.000 0.000) 0.000 13.832 ( 0.000 0.000 0.000) 0.000 13.991 ( 0.000 0.000 0.000) 0.000 16.901 ( 0.000 0.000 0.000) 0.000 17.169 ( 0.000 0.000 0.000) 0.000 22.947 ( 0.000 0.000 0.000) 0.000 22.968 ( 0.000 0.000 0.000) 0.000 24.757 ( 0.000 0.000 0.000) 0.000 24.773 ( 0.000 0.000 0.000) 0.000 26.048 ( 0.000 0.000 0.000) 0.000 26.072 ( 0.000 0.000 0.000) 0.000 26.084 ( 0.000 0.000 0.000) 0.000 26.092 ( 0.000 0.000 0.000) 0.000 26.246 ( 0.000 0.000 0.000) 0.000 26.278 ( 0.000 0.000 0.000) 0.000 26.347 ( 0.000 0.000 0.000) 0.000 26.730 ( 0.000 0.000 0.000) 0.000 26.733 ( 0.000 0.000 0.000) 0.000 26.942 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/69) =======================q-point: ( 0.11 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.284 ( 6.279 0.000 16.097) 17.278 0.369 ( 14.017 0.000 11.421) 18.081 0.598 ( 25.923 0.000 15.233) 30.068 0.965 ( 2.378 0.000 1.522) 2.823 1.064 ( -2.007 0.000 -1.938) 2.790 1.116 ( -2.750 0.000 -1.638) 3.201 1.196 ( -2.940 0.000 1.507) 3.304 1.257 ( 0.235 0.000 2.607) 2.618 1.285 ( 2.623 0.000 0.336) 2.644 1.385 ( 5.075 0.000 1.332) 5.247 1.394 ( 2.392 0.000 3.298) 4.074 1.594 ( -0.658 0.000 -5.693) 5.731 1.622 ( -2.993 0.000 -1.141) 3.203 1.758 ( 7.886 0.000 -3.210) 8.514 1.798 ( 1.213 0.000 1.057) 1.609 1.815 ( -0.065 0.000 0.428) 0.433 1.881 ( -1.967 0.000 -0.240) 1.982 1.887 ( -2.157 0.000 -2.705) 3.459 1.909 ( -0.366 0.000 0.129) 0.388 1.964 ( 0.608 0.000 5.559) 5.592 2.065 ( 0.845 0.000 3.171) 3.281 2.089 ( 1.424 0.000 -0.668) 1.573 2.136 ( 2.122 0.000 3.761) 4.319 2.153 ( -0.744 0.000 -4.019) 4.087 2.218 ( -1.253 0.000 -1.772) 2.170 2.317 ( -1.450 0.000 -1.804) 2.314 2.323 ( 1.893 0.000 2.335) 3.006 2.403 ( 0.440 0.000 2.516) 2.555 2.423 ( -0.370 0.000 -0.168) 0.407 2.513 ( -0.618 0.000 0.607) 0.866 2.550 ( 0.097 0.000 -4.203) 4.204 2.718 ( -1.016 0.000 -2.519) 2.716 2.774 ( -0.499 0.000 0.532) 0.729 2.799 ( -4.216 0.000 -1.357) 4.429 2.840 ( -4.091 0.000 5.928) 7.202 2.911 ( -5.997 0.000 6.273) 8.678 2.981 ( 0.784 0.000 -0.493) 0.926 3.088 ( -4.195 0.000 0.570) 4.233 3.167 ( 0.160 0.000 1.109) 1.121 3.304 ( -1.381 0.000 0.209) 1.397 3.457 ( 3.423 0.000 -3.758) 5.083 3.493 ( 2.512 0.000 2.680) 3.673 3.708 ( 1.228 0.000 0.333) 1.272 3.961 ( -1.162 0.000 1.090) 1.593 4.160 ( 1.855 0.000 0.535) 1.931 4.188 ( 1.832 0.000 1.479) 2.355 4.335 ( -0.984 0.000 -1.812) 2.062 4.422 ( -1.235 0.000 -2.152) 2.481 4.641 ( -8.154 0.000 -1.637) 8.317 4.841 ( 0.952 0.000 -0.606) 1.129 5.076 ( 5.368 0.000 -9.655) 11.047 5.167 ( -1.971 0.000 -0.734) 2.104 5.286 ( 1.949 0.000 3.850) 4.315 5.758 ( -2.586 0.000 -10.717) 11.025 7.874 ( 2.941 0.000 7.157) 7.738 8.038 ( 0.065 0.000 -0.212) 0.221 8.048 ( 1.634 0.000 3.507) 3.869 8.436 ( -0.097 0.000 -0.208) 0.230 8.639 ( -0.746 0.000 -1.014) 1.259 8.705 ( -6.732 0.000 -3.999) 7.830 9.703 ( 3.574 0.000 -3.319) 4.878 9.764 ( 5.703 0.000 0.207) 5.707 10.031 ( 0.837 0.000 -0.463) 0.957 10.168 ( 1.025 0.000 -1.006) 1.436 12.625 ( 0.845 0.000 1.877) 2.059 12.654 ( -0.554 0.000 -0.332) 0.646 12.938 ( -1.796 0.000 -0.207) 1.808 13.039 ( -0.729 0.000 1.373) 1.555 13.369 ( -4.590 0.000 4.961) 6.759 13.378 ( 2.085 0.000 3.170) 3.794 13.560 ( -2.063 0.000 -1.838) 2.762 13.799 ( -5.553 0.000 7.306) 9.177 13.840 ( 0.125 0.000 0.981) 0.989 13.943 ( -1.726 0.000 -6.843) 7.058 16.919 ( 0.623 0.000 2.166) 2.254 17.148 ( -1.858 0.000 -1.030) 2.125 22.969 ( -0.717 0.000 1.071) 1.288 23.084 ( -9.056 0.000 8.873) 12.678 24.766 ( -0.410 0.000 -0.428) 0.592 24.769 ( 0.763 0.000 0.847) 1.140 26.058 ( -0.690 0.000 -0.098) 0.697 26.077 ( 2.270 0.000 1.860) 2.935 26.131 ( 2.919 0.000 -1.250) 3.175 26.244 ( 0.556 0.000 -0.839) 1.007 26.310 ( 9.597 0.000 -10.681) 14.360 26.322 ( 5.040 0.000 0.365) 5.054 26.572 ( -2.716 0.000 1.988) 3.366 26.690 ( -1.019 0.000 -4.096) 4.221 26.962 ( -2.857 0.000 6.621) 7.211 27.458 ( -4.782 0.000 -0.251) 4.788======================= Grid point 2 (3/69) =======================q-point: ( 0.22 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.563 ( 6.129 0.000 15.509) 16.676 0.684 ( 10.594 0.000 9.184) 14.021 1.029 ( 3.376 0.000 1.355) 3.638 1.055 ( 2.722 0.000 0.226) 2.732 1.064 ( 0.571 0.000 -0.547) 0.791 1.107 ( 14.770 0.000 7.666) 16.641 1.195 ( 0.929 0.000 1.435) 1.709 1.328 ( 7.433 0.000 2.170) 7.743 1.345 ( 1.987 0.000 2.322) 3.056 1.443 ( 1.079 0.000 -2.499) 2.722 1.498 ( 7.951 0.000 1.327) 8.061 1.558 ( 4.206 0.000 -0.867) 4.294 1.587 ( -0.262 0.000 -0.411) 0.488 1.732 ( -4.114 0.000 -5.137) 6.582 1.764 ( 2.276 0.000 -5.902) 6.325 1.818 ( -2.504 0.000 -1.155) 2.757 1.843 ( -2.501 0.000 1.313) 2.824 1.913 ( 4.936 0.000 2.016) 5.332 1.926 ( 2.629 0.000 -2.497) 3.626 2.014 ( -3.901 0.000 -3.714) 5.386 2.039 ( 0.840 0.000 4.191) 4.275 2.088 ( -0.073 0.000 -1.088) 1.090 2.128 ( -2.579 0.000 -1.530) 2.999 2.202 ( 2.620 0.000 1.254) 2.904 2.224 ( 2.029 0.000 2.887) 3.529 2.272 ( -1.470 0.000 -1.612) 2.182 2.406 ( 5.051 0.000 -0.239) 5.057 2.417 ( -0.821 0.000 1.970) 2.134 2.428 ( -0.625 0.000 1.916) 2.016 2.503 ( 0.894 0.000 -3.517) 3.629 2.509 ( -1.265 0.000 1.379) 1.872 2.643 ( -8.156 0.000 -1.426) 8.279 2.701 ( -1.747 0.000 -2.973) 3.448 2.756 ( -4.491 0.000 1.083) 4.620 2.833 ( -4.715 0.000 7.069) 8.497 2.886 ( -2.560 0.000 0.367) 2.587 2.987 ( 0.991 0.000 -0.667) 1.194 3.024 ( -5.083 0.000 0.997) 5.180 3.188 ( 0.059 0.000 2.038) 2.039 3.279 ( -1.946 0.000 0.032) 1.946 3.473 ( 2.769 0.000 -2.091) 3.470 3.573 ( 2.054 0.000 4.136) 4.618 3.736 ( 0.892 0.000 1.233) 1.522 3.924 ( -3.723 0.000 -0.990) 3.852 4.178 ( 1.763 0.000 -3.423) 3.850 4.251 ( 3.136 0.000 2.567) 4.053 4.308 ( 0.141 0.000 -0.756) 0.769 4.412 ( 2.111 0.000 0.629) 2.203 4.456 ( -7.734 0.000 -6.999) 10.431 4.848 ( 1.524 0.000 -1.844) 2.392 5.054 ( 1.001 0.000 -2.425) 2.624 5.126 ( -1.833 0.000 -0.959) 2.069 5.373 ( 1.840 0.000 6.085) 6.357 5.543 ( -8.217 0.000 -10.740) 13.523 8.006 ( 2.527 0.000 5.150) 5.736 8.009 ( -2.146 0.000 -2.492) 3.288 8.127 ( 1.283 0.000 6.532) 6.657 8.461 ( 1.941 0.000 3.036) 3.604 8.502 ( -7.880 0.000 -7.368) 10.788 8.670 ( 1.739 0.000 3.599) 3.997 9.709 ( 2.914 0.000 -4.991) 5.780 9.854 ( 6.032 0.000 -2.103) 6.388 10.047 ( 1.375 0.000 0.399) 1.431 10.184 ( 1.918 0.000 -0.148) 1.923 12.647 ( -0.199 0.000 0.527) 0.563 12.673 ( 1.340 0.000 3.223) 3.491 12.896 ( -2.874 0.000 -0.525) 2.921 13.047 ( -0.684 0.000 2.127) 2.234 13.348 ( -2.801 0.000 1.636) 3.244 13.460 ( 1.577 0.000 3.938) 4.242 13.483 ( -2.786 0.000 -3.427) 4.417 13.772 ( -4.351 0.000 -2.574) 5.056 13.831 ( -1.009 0.000 -3.746) 3.880 13.849 ( -0.664 0.000 1.041) 1.235 16.962 ( 0.814 0.000 2.977) 3.086 17.093 ( -2.807 0.000 -1.811) 3.340 22.968 ( -1.289 0.000 1.429) 1.925 23.035 ( -5.560 0.000 3.035) 6.334 24.754 ( -0.317 0.000 -0.499) 0.591 24.794 ( 0.762 0.000 1.127) 1.360 26.061 ( 1.397 0.000 -0.707) 1.565 26.148 ( 1.451 0.000 -1.354) 1.985 26.155 ( 3.510 0.000 3.224) 4.767 26.246 ( 0.753 0.000 -0.602) 0.964 26.345 ( 6.411 0.000 -5.260) 8.293 26.409 ( 5.269 0.000 -1.800) 5.568 26.546 ( -2.077 0.000 0.219) 2.089 26.639 ( 0.135 0.000 -2.530) 2.534 27.001 ( -3.004 0.000 8.945) 9.436 27.351 ( -6.406 0.000 -2.686) 6.946======================= Grid point 3 (4/69) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.827 ( 5.604 0.000 14.189) 15.256 0.901 ( 4.867 0.000 7.356) 8.821 1.071 ( 3.048 0.000 -1.048) 3.223 1.099 ( 3.480 0.000 0.897) 3.594 1.148 ( 8.142 0.000 0.523) 8.158 1.214 ( 0.480 0.000 -1.161) 1.256 1.267 ( 1.905 0.000 3.434) 3.927 1.338 ( -0.274 0.000 -3.133) 3.145 1.423 ( -0.490 0.000 -3.138) 3.176 1.467 ( 2.218 0.000 1.743) 2.821 1.520 ( -1.250 0.000 -4.768) 4.929 1.652 ( 3.458 0.000 2.625) 4.342 1.691 ( 5.427 0.000 -2.051) 5.802 1.702 ( -2.351 0.000 -4.282) 4.885 1.755 ( 12.270 0.000 2.123) 12.452 1.794 ( -0.886 0.000 -1.658) 1.880 1.803 ( 2.747 0.000 -0.896) 2.890 1.880 ( -2.217 0.000 -2.007) 2.990 1.957 ( -2.283 0.000 -1.497) 2.730 2.035 ( 2.360 0.000 0.842) 2.505 2.050 ( -1.353 0.000 -2.274) 2.646 2.066 ( 0.043 0.000 4.405) 4.405 2.090 ( 1.571 0.000 0.076) 1.572 2.182 ( -2.286 0.000 -1.391) 2.676 2.254 ( 1.661 0.000 -0.415) 1.712 2.293 ( 0.542 0.000 0.462) 0.712 2.406 ( -1.198 0.000 0.223) 1.218 2.436 ( -0.012 0.000 0.377) 0.378 2.468 ( 0.719 0.000 0.673) 0.985 2.472 ( -4.397 0.000 -0.692) 4.451 2.515 ( 0.414 0.000 1.028) 1.109 2.530 ( -2.421 0.000 3.421) 4.191 2.657 ( -1.004 0.000 -2.295) 2.505 2.705 ( -3.754 0.000 2.963) 4.783 2.800 ( -2.809 0.000 -1.025) 2.990 2.871 ( -3.825 0.000 4.910) 6.224 2.939 ( -5.088 0.000 -1.388) 5.273 3.000 ( 0.163 0.000 0.720) 0.738 3.204 ( -0.890 0.000 1.305) 1.579 3.255 ( -0.486 0.000 -0.212) 0.530 3.490 ( 2.210 0.000 -2.001) 2.981 3.629 ( -0.847 0.000 3.327) 3.433 3.753 ( -0.242 0.000 0.469) 0.528 3.848 ( -2.209 0.000 -2.456) 3.304 4.147 ( 1.584 0.000 -5.333) 5.563 4.270 ( -4.307 0.000 -5.792) 7.218 4.316 ( 1.112 0.000 -0.485) 1.213 4.351 ( 3.234 0.000 4.039) 5.174 4.491 ( 3.658 0.000 3.457) 5.034 4.847 ( 1.781 0.000 -2.363) 2.959 5.051 ( -0.452 0.000 0.547) 0.710 5.090 ( -1.413 0.000 -0.805) 1.626 5.282 ( -9.070 0.000 -9.694) 13.276 5.481 ( 2.237 0.000 6.572) 6.942 7.919 ( -4.076 0.000 -3.788) 5.565 8.039 ( 0.244 0.000 -1.386) 1.408 8.239 ( 0.850 0.000 8.314) 8.357 8.322 ( -4.563 0.000 -5.512) 7.155 8.560 ( 3.334 0.000 5.540) 6.465 8.768 ( 3.118 0.000 5.157) 6.026 9.678 ( 1.171 0.000 -5.578) 5.700 9.892 ( 3.431 0.000 -3.674) 5.027 10.082 ( 1.535 0.000 1.134) 1.908 10.221 ( 2.265 0.000 0.439) 2.307 12.662 ( 0.369 0.000 1.637) 1.678 12.734 ( 1.326 0.000 3.292) 3.549 12.843 ( -2.643 0.000 -0.583) 2.707 13.068 ( 0.270 0.000 2.227) 2.243 13.322 ( -1.878 0.000 0.322) 1.906 13.364 ( -4.541 0.000 -4.774) 6.589 13.541 ( 1.731 0.000 3.154) 3.598 13.632 ( -4.898 0.000 -5.391) 7.284 13.821 ( 1.312 0.000 -1.170) 1.758 13.840 ( -1.285 0.000 0.334) 1.327 17.005 ( 0.609 0.000 2.337) 2.415 17.029 ( -2.301 0.000 -1.774) 2.905 22.962 ( -1.295 0.000 1.051) 1.668 22.988 ( -3.290 0.000 1.160) 3.489 24.747 ( 0.006 0.000 -0.283) 0.283 24.814 ( 0.336 0.000 0.857) 0.920 26.076 ( 1.897 0.000 -1.471) 2.401 26.153 ( 0.673 0.000 -0.440) 0.804 26.247 ( 3.663 0.000 1.923) 4.137 26.253 ( -0.167 0.000 1.136) 1.148 26.389 ( 5.452 0.000 -3.094) 6.269 26.423 ( 0.792 0.000 -2.870) 2.977 26.516 ( -1.583 0.000 -0.276) 1.607 26.628 ( 0.349 0.000 -1.405) 1.448 27.088 ( 0.904 0.000 8.622) 8.669 27.212 ( -6.401 0.000 -3.139) 7.129======================= Grid point 4 (5/69) =======================q-point: ( 0.44 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.008 ( 0.931 0.000 3.898) 4.008 1.054 ( 4.363 0.000 10.527) 11.396 1.124 ( 0.373 0.000 -1.836) 1.873 1.130 ( 4.544 0.000 -0.860) 4.625 1.198 ( -0.679 0.000 0.425) 0.801 1.261 ( -0.321 0.000 -5.637) 5.646 1.297 ( -8.002 0.000 -1.503) 8.142 1.321 ( 10.241 0.000 2.017) 10.437 1.345 ( 4.574 0.000 0.166) 4.577 1.498 ( -0.976 0.000 1.605) 1.878 1.545 ( 5.167 0.000 0.282) 5.174 1.565 ( -9.550 0.000 -3.984) 10.348 1.684 ( -1.698 0.000 -0.551) 1.785 1.687 ( -1.191 0.000 -2.570) 2.833 1.757 ( 1.969 0.000 -0.564) 2.048 1.778 ( -4.795 0.000 -3.016) 5.665 1.860 ( -0.864 0.000 -0.187) 0.884 1.880 ( 4.000 0.000 0.676) 4.057 1.978 ( -4.058 0.000 -2.507) 4.770 1.987 ( 7.199 0.000 2.591) 7.651 2.084 ( 3.741 0.000 3.199) 4.922 2.086 ( 0.404 0.000 -1.588) 1.639 2.139 ( 0.273 0.000 -3.374) 3.385 2.214 ( 3.599 0.000 0.937) 3.719 2.267 ( -2.695 0.000 -0.009) 2.695 2.267 ( -0.585 0.000 2.440) 2.509 2.389 ( -3.028 0.000 2.726) 4.075 2.437 ( 0.449 0.000 0.107) 0.461 2.445 ( -0.378 0.000 0.062) 0.383 2.452 ( -0.159 0.000 -3.048) 3.052 2.528 ( 0.178 0.000 -0.007) 0.179 2.553 ( -0.888 0.000 3.272) 3.390 2.614 ( -1.139 0.000 -1.855) 2.177 2.723 ( 3.819 0.000 0.886) 3.920 2.791 ( 0.481 0.000 0.905) 1.025 2.846 ( -5.342 0.000 3.656) 6.474 2.856 ( -2.475 0.000 -1.206) 2.754 3.006 ( -0.155 0.000 0.262) 0.305 3.190 ( -1.142 0.000 -0.199) 1.159 3.258 ( 0.522 0.000 0.057) 0.525 3.492 ( 0.667 0.000 -1.387) 1.539 3.629 ( -1.316 0.000 0.868) 1.576 3.744 ( -0.522 0.000 -0.224) 0.568 3.814 ( -0.139 0.000 -0.870) 0.881 4.121 ( 0.921 0.000 -2.374) 2.547 4.179 ( -1.435 0.000 -1.812) 2.311 4.322 ( 0.354 0.000 -0.329) 0.483 4.447 ( 2.447 0.000 2.712) 3.653 4.569 ( 1.679 0.000 1.768) 2.438 4.859 ( 2.153 0.000 -0.753) 2.281 5.009 ( -4.586 0.000 -2.481) 5.214 5.067 ( -0.568 0.000 -0.287) 0.636 5.109 ( -1.761 0.000 -2.053) 2.705 5.570 ( 1.222 0.000 3.063) 3.298 7.827 ( -2.266 0.000 -1.960) 2.996 8.020 ( -0.116 0.000 -1.032) 1.039 8.240 ( -1.005 0.000 -1.762) 2.028 8.316 ( 0.218 0.000 3.262) 3.269 8.654 ( 1.568 0.000 2.765) 3.178 8.853 ( 1.364 0.000 2.392) 2.753 9.637 ( 0.183 0.000 -2.601) 2.607 9.893 ( 1.073 0.000 -1.721) 2.028 10.109 ( 0.605 0.000 0.449) 0.753 10.253 ( 0.984 0.000 0.249) 1.015 12.686 ( 0.281 0.000 1.077) 1.113 12.776 ( 0.359 0.000 1.073) 1.131 12.811 ( -0.816 0.000 0.179) 0.835 13.107 ( 1.275 0.000 1.869) 2.263 13.249 ( -3.088 0.000 -3.363) 4.565 13.302 ( -0.708 0.000 -0.063) 0.711 13.529 ( -1.983 0.000 -2.253) 3.002 13.584 ( 0.536 0.000 1.069) 1.196 13.825 ( -0.633 0.000 0.022) 0.633 13.829 ( 0.688 0.000 -0.500) 0.851 16.989 ( -0.833 0.000 -0.728) 1.106 17.031 ( 0.218 0.000 0.861) 0.888 22.955 ( -0.547 0.000 0.364) 0.656 22.962 ( -1.080 0.000 0.312) 1.124 24.747 ( 0.070 0.000 -0.072) 0.100 24.824 ( 0.058 0.000 0.309) 0.314 26.085 ( 0.968 0.000 -0.855) 1.292 26.158 ( 0.077 0.000 0.138) 0.158 26.257 ( 0.289 0.000 -0.177) 0.339 26.305 ( 0.845 0.000 1.389) 1.625 26.398 ( -0.206 0.000 -1.298) 1.314 26.440 ( 3.337 0.000 -0.909) 3.459 26.492 ( -1.197 0.000 -0.049) 1.198 26.613 ( -0.334 0.000 -0.556) 0.649 27.104 ( -3.020 0.000 -1.511) 3.377 27.187 ( 1.305 0.000 3.579) 3.810======================= Grid point 9 (6/69) =======================q-point: ( 0.00 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.379 ( 0.000 17.563 0.000) 17.563 0.405 ( 0.000 17.647 0.000) 17.647 0.765 ( 0.000 33.800 0.000) 33.800 0.966 ( 0.000 1.677 0.000) 1.677 1.093 ( 0.000 -7.190 0.000) 7.190 1.095 ( 0.000 0.116 0.000) 0.116 1.218 ( 0.000 1.457 0.000) 1.457 1.273 ( 0.000 -3.937 0.000) 3.937 1.293 ( 0.000 0.567 0.000) 0.567 1.293 ( 0.000 4.936 0.000) 4.936 1.365 ( 0.000 1.535 0.000) 1.535 1.569 ( 0.000 -4.851 0.000) 4.851 1.632 ( 0.000 -5.985 0.000) 5.985 1.689 ( 0.000 -0.677 0.000) 0.677 1.699 ( 0.000 -2.105 0.000) 2.105 1.774 ( 0.000 -4.346 0.000) 4.346 1.854 ( 0.000 1.061 0.000) 1.061 1.856 ( 0.000 -1.224 0.000) 1.224 1.965 ( 0.000 2.190 0.000) 2.190 2.021 ( 0.000 -0.487 0.000) 0.487 2.035 ( 0.000 -1.544 0.000) 1.544 2.087 ( 0.000 3.621 0.000) 3.621 2.088 ( 0.000 0.838 0.000) 0.838 2.228 ( 0.000 5.299 0.000) 5.299 2.256 ( 0.000 0.215 0.000) 0.215 2.343 ( 0.000 4.755 0.000) 4.755 2.377 ( 0.000 0.176 0.000) 0.176 2.384 ( 0.000 -0.995 0.000) 0.995 2.409 ( 0.000 -2.317 0.000) 2.317 2.453 ( 0.000 -8.393 0.000) 8.393 2.499 ( 0.000 -1.540 0.000) 1.540 2.704 ( 0.000 -3.404 0.000) 3.404 2.751 ( 0.000 -0.971 0.000) 0.971 2.814 ( 0.000 -0.222 0.000) 0.222 2.817 ( 0.000 1.183 0.000) 1.183 2.867 ( 0.000 2.418 0.000) 2.418 2.956 ( 0.000 -1.267 0.000) 1.267 3.099 ( 0.000 -1.998 0.000) 1.998 3.176 ( 0.000 1.192 0.000) 1.192 3.259 ( 0.000 -3.314 0.000) 3.314 3.447 ( 0.000 0.201 0.000) 0.201 3.471 ( 0.000 0.070 0.000) 0.070 3.813 ( 0.000 9.084 0.000) 9.084 3.989 ( 0.000 2.361 0.000) 2.361 4.116 ( 0.000 -1.527 0.000) 1.527 4.148 ( 0.000 -1.302 0.000) 1.302 4.270 ( 0.000 -6.241 0.000) 6.241 4.281 ( 0.000 -5.628 0.000) 5.628 4.832 ( 0.000 4.838 0.000) 4.838 4.836 ( 0.000 0.141 0.000) 0.141 5.040 ( 0.000 -5.135 0.000) 5.135 5.042 ( 0.000 -1.152 0.000) 1.152 5.333 ( 0.000 9.592 0.000) 9.592 6.150 ( 0.000 -8.354 0.000) 8.354 7.842 ( 0.000 3.138 0.000) 3.138 8.023 ( 0.000 -1.128 0.000) 1.128 8.099 ( 0.000 7.969 0.000) 7.969 8.443 ( 0.000 0.258 0.000) 0.258 8.602 ( 0.000 -4.703 0.000) 4.703 8.727 ( 0.000 -5.650 0.000) 5.650 9.689 ( 0.000 1.293 0.000) 1.293 9.717 ( 0.000 0.326 0.000) 0.326 10.039 ( 0.000 0.982 0.000) 0.982 10.152 ( 0.000 -1.176 0.000) 1.176 12.636 ( 0.000 2.346 0.000) 2.346 12.675 ( 0.000 1.039 0.000) 1.039 12.948 ( 0.000 -0.443 0.000) 0.443 13.011 ( 0.000 -2.025 0.000) 2.025 13.271 ( 0.000 4.913 0.000) 4.913 13.463 ( 0.000 4.697 0.000) 4.697 13.522 ( 0.000 -0.356 0.000) 0.356 13.790 ( 0.000 -3.515 0.000) 3.515 13.976 ( 0.000 -1.130 0.000) 1.130 14.148 ( 0.000 -5.092 0.000) 5.092 16.942 ( 0.000 3.574 0.000) 3.574 17.153 ( 0.000 -1.467 0.000) 1.467 22.982 ( 0.000 3.150 0.000) 3.150 23.231 ( 0.000 -2.414 0.000) 2.414 24.758 ( 0.000 0.058 0.000) 0.058 24.769 ( 0.000 -0.292 0.000) 0.292 26.035 ( 0.000 -0.909 0.000) 0.909 26.056 ( 0.000 -1.029 0.000) 1.029 26.101 ( 0.000 1.182 0.000) 1.182 26.176 ( 0.000 0.138 0.000) 0.138 26.257 ( 0.000 1.028 0.000) 1.028 26.342 ( 0.000 -0.550 0.000) 0.550 26.634 ( 0.000 -1.192 0.000) 1.192 26.677 ( 0.000 -3.621 0.000) 3.621 27.022 ( 0.000 5.963 0.000) 5.963 27.329 ( 0.000 -2.184 0.000) 2.184======================= Grid point 10 (7/69) =======================q-point: ( 0.11 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.436 ( 4.710 13.707 4.489) 15.173 0.523 ( 10.231 12.230 7.481) 17.612 0.922 ( 7.208 14.250 5.040) 16.746 0.984 ( 2.601 4.076 0.977) 4.933 1.064 ( 2.119 3.321 1.463) 4.203 1.143 ( 0.555 -1.026 1.453) 1.863 1.181 ( -1.912 1.820 -0.141) 2.644 1.240 ( -0.162 -2.082 -1.069) 2.346 1.314 ( 1.885 3.242 0.876) 3.851 1.347 ( 3.924 -0.954 2.654) 4.832 1.433 ( 3.463 1.675 3.828) 5.427 1.526 ( -1.480 -4.367 -6.191) 7.720 1.617 ( -1.785 -0.706 -0.119) 1.923 1.656 ( 2.843 -7.282 -1.594) 7.979 1.740 ( 1.852 -3.120 -3.147) 4.803 1.802 ( 0.122 -2.549 2.110) 3.312 1.827 ( 3.635 0.186 -2.510) 4.421 1.911 ( 0.969 -1.984 2.650) 3.449 1.958 ( -0.938 3.075 1.309) 3.471 2.001 ( -2.027 4.415 -1.675) 5.139 2.034 ( 1.200 -4.343 -0.808) 4.578 2.086 ( 1.225 1.723 -0.410) 2.153 2.111 ( 0.328 -0.812 -0.351) 0.943 2.216 ( -0.780 3.420 1.578) 3.846 2.242 ( -2.511 0.333 -2.547) 3.592 2.300 ( 0.101 -0.992 0.133) 1.006 2.370 ( 0.482 1.577 -1.845) 2.475 2.383 ( -1.485 -0.672 2.429) 2.926 2.461 ( 0.671 -4.071 -0.148) 4.129 2.481 ( 2.898 1.847 2.108) 4.032 2.506 ( 0.661 -1.329 0.656) 1.623 2.686 ( -0.981 -1.820 -2.210) 3.027 2.739 ( -0.215 -2.284 0.567) 2.363 2.781 ( -4.160 -1.803 -0.798) 4.604 2.823 ( -3.174 -1.392 2.562) 4.310 2.879 ( 0.314 1.459 1.690) 2.255 2.959 ( 0.664 -1.784 -0.618) 2.001 3.063 ( -3.560 -1.866 0.092) 4.021 3.177 ( -0.366 0.607 0.552) 0.899 3.263 ( -0.303 -2.836 0.621) 2.919 3.455 ( 1.828 0.139 -1.277) 2.234 3.494 ( 1.913 0.089 1.172) 2.245 3.826 ( 0.207 8.172 1.279) 8.274 3.961 ( -1.833 1.106 0.740) 2.266 4.133 ( 1.389 -2.351 -0.577) 2.791 4.178 ( 0.385 -1.381 1.662) 2.194 4.268 ( 0.750 -5.494 -2.467) 6.069 4.287 ( 0.418 -6.211 1.710) 6.455 4.772 ( -4.363 6.695 -3.385) 8.679 4.844 ( 0.625 0.812 -0.232) 1.051 5.029 ( -1.002 -4.739 -0.173) 4.847 5.092 ( 5.229 -2.953 -1.390) 6.164 5.327 ( -2.004 7.293 1.860) 7.789 5.928 ( -11.162 1.580 -12.922) 17.148 7.885 ( 2.558 1.113 4.270) 5.100 8.016 ( -0.652 -1.975 0.693) 2.193 8.133 ( 1.843 7.457 2.443) 8.060 8.419 ( -0.207 -0.704 -1.537) 1.703 8.609 ( 1.164 -2.823 -0.245) 3.063 8.695 ( -5.466 -2.104 -0.908) 5.927 9.697 ( 2.917 0.247 -2.128) 3.619 9.763 ( 4.691 -0.533 -0.581) 4.756 10.044 ( 0.626 1.192 0.004) 1.346 10.157 ( 0.684 -1.002 0.007) 1.214 12.646 ( 0.517 1.931 0.873) 2.181 12.685 ( 0.297 1.649 0.365) 1.715 12.934 ( -1.648 -0.184 0.135) 1.664 13.013 ( -0.874 -2.004 1.453) 2.625 13.270 ( 1.024 0.109 0.813) 1.312 13.449 ( -2.425 4.249 2.387) 5.443 13.526 ( -0.063 -1.499 -2.373) 2.807 13.798 ( -0.051 -3.707 1.070) 3.859 13.910 ( -5.940 0.609 -1.523) 6.162 14.013 ( -4.435 3.143 -6.877) 8.765 16.956 ( -0.340 3.389 2.881) 4.461 17.158 ( -2.068 -0.469 1.563) 2.634 22.989 ( -0.612 2.558 1.519) 3.037 23.151 ( -7.532 1.694 1.497) 7.864 24.764 ( 0.085 -0.176 0.183) 0.268 24.770 ( 0.111 0.033 0.573) 0.584 26.040 ( 1.157 -1.170 0.799) 1.830 26.079 ( -0.462 1.278 0.082) 1.362 26.130 ( 5.388 -0.708 0.294) 5.442 26.259 ( 3.601 -0.572 -0.533) 3.685 26.264 ( 5.567 -0.574 -1.864) 5.899 26.340 ( 2.320 0.139 -3.121) 3.891 26.593 ( -1.915 0.537 -0.795) 2.142 26.654 ( 0.035 -2.697 -3.281) 4.248 27.018 ( -3.982 4.734 4.895) 7.888 27.346 ( -2.572 -5.956 1.916) 6.765======================= Grid point 11 (8/69) =======================q-point: ( 0.22 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.634 ( 7.722 6.557 9.970) 14.213 0.789 ( 9.095 8.687 9.347) 15.670 1.010 ( 3.003 -0.933 1.538) 3.500 1.030 ( 3.176 0.134 1.142) 3.378 1.117 ( -0.863 2.073 0.192) 2.253 1.176 ( 0.686 -1.255 1.264) 1.909 1.250 ( 9.078 6.744 1.473) 11.405 1.279 ( 2.684 -0.907 2.587) 3.836 1.369 ( 3.219 -0.897 0.077) 3.343 1.415 ( -0.320 -1.214 -4.965) 5.122 1.459 ( 4.934 -3.454 0.916) 6.092 1.562 ( 7.331 2.128 2.199) 7.944 1.611 ( -0.566 -1.104 -1.185) 1.716 1.667 ( 2.768 -1.595 2.307) 3.941 1.733 ( 3.124 -2.144 -3.607) 5.231 1.795 ( -2.812 0.812 -1.182) 3.156 1.873 ( 1.133 0.146 0.103) 1.147 1.922 ( 1.161 1.804 -1.129) 2.425 1.970 ( 1.495 -2.697 -2.099) 3.730 1.982 ( 0.804 2.568 2.164) 3.453 2.026 ( -0.951 -0.539 -3.939) 4.088 2.042 ( -1.250 -2.615 -1.560) 3.292 2.079 ( -2.718 -1.978 -3.309) 4.716 2.215 ( 1.914 0.089 2.531) 3.174 2.261 ( 0.198 1.147 2.605) 2.853 2.315 ( 0.049 -1.927 0.813) 2.092 2.359 ( 1.077 0.861 -1.747) 2.226 2.407 ( 0.169 -0.405 2.936) 2.969 2.461 ( 0.906 -1.310 -2.180) 2.700 2.503 ( -1.634 2.137 2.260) 3.513 2.536 ( 0.424 2.590 0.173) 2.631 2.641 ( -3.943 -0.939 -0.708) 4.115 2.670 ( -4.719 -1.018 -1.799) 5.152 2.728 ( -2.452 -2.424 0.149) 3.451 2.809 ( -2.945 -1.256 4.071) 5.179 2.886 ( -1.566 0.180 0.693) 1.722 2.969 ( 1.006 -1.440 0.163) 1.764 3.013 ( -3.150 -1.434 0.650) 3.521 3.183 ( 0.134 -0.182 1.154) 1.176 3.257 ( -0.972 -1.842 0.226) 2.095 3.472 ( 2.210 0.321 -1.281) 2.574 3.550 ( 2.289 -0.904 2.251) 3.335 3.844 ( -0.497 6.667 2.094) 7.006 3.928 ( -3.594 0.449 -0.426) 3.647 4.138 ( 2.442 -3.074 -3.119) 5.014 4.203 ( 0.845 -3.019 1.451) 3.454 4.260 ( 0.324 -4.014 0.370) 4.044 4.326 ( 1.322 -4.074 1.826) 4.656 4.636 ( -4.413 10.642 -6.361) 13.160 4.851 ( 1.159 0.622 -1.074) 1.698 5.012 ( -1.038 -3.640 0.227) 3.792 5.136 ( 3.415 -0.434 -3.263) 4.743 5.319 ( -3.623 0.013 4.236) 5.574 5.615 ( -9.709 2.274 -11.524) 15.239 7.963 ( 0.561 -1.368 1.372) 2.017 8.044 ( 1.702 -0.525 3.953) 4.336 8.190 ( -0.133 5.562 4.421) 7.106 8.425 ( 0.732 -1.745 1.531) 2.434 8.547 ( -5.585 3.199 -5.751) 8.631 8.650 ( 2.040 -1.922 2.538) 3.781 9.713 ( 3.044 0.473 -4.183) 5.194 9.832 ( 5.639 -1.957 -1.744) 6.219 10.055 ( 0.701 1.046 0.041) 1.260 10.176 ( 1.417 -0.862 0.473) 1.725 12.660 ( 0.088 1.493 0.588) 1.607 12.703 ( 0.907 1.854 1.879) 2.791 12.901 ( -2.556 0.637 -0.071) 2.635 13.018 ( -1.240 -2.368 2.290) 3.520 13.321 ( 2.144 -2.480 1.955) 3.817 13.445 ( -2.855 -1.876 -0.822) 3.513 13.462 ( -1.564 1.778 0.192) 2.376 13.790 ( -4.537 -1.417 0.310) 4.763 13.818 ( 0.081 -0.419 -4.217) 4.239 13.893 ( -2.229 3.095 -4.741) 6.084 16.990 ( -0.349 2.626 3.594) 4.465 17.118 ( -3.507 1.304 -0.207) 3.748 22.992 ( -1.338 2.239 1.723) 3.126 23.068 ( -5.388 1.998 1.467) 5.931 24.757 ( -0.325 0.273 -0.306) 0.523 24.790 ( 0.566 -0.371 1.094) 1.286 26.070 ( 1.218 0.015 0.412) 1.286 26.087 ( 1.672 -0.491 -0.741) 1.894 26.214 ( 4.054 0.823 1.081) 4.275 26.277 ( 2.134 2.151 -0.959) 3.178 26.339 ( 3.933 -3.750 -1.933) 5.767 26.352 ( 4.124 0.620 -3.226) 5.272 26.572 ( 0.156 0.047 -1.249) 1.260 26.644 ( 2.921 0.525 -1.312) 3.245 27.010 ( -5.642 1.363 7.437) 9.434 27.275 ( -6.127 -5.690 -1.411) 8.480======================= Grid point 12 (9/69) =======================q-point: ( 0.33 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.864 ( 6.948 3.149 8.695) 11.567 0.987 ( 2.565 7.335 9.618) 12.364 1.046 ( 1.771 -2.278 -0.386) 2.911 1.117 ( 2.312 1.175 0.318) 2.613 1.153 ( 4.541 0.687 3.681) 5.886 1.208 ( 3.223 1.228 -1.713) 3.851 1.304 ( 0.554 -2.136 -1.929) 2.931 1.333 ( 3.209 3.621 -1.361) 5.026 1.404 ( 2.501 -4.156 3.208) 5.816 1.450 ( -0.281 1.843 -0.288) 1.887 1.509 ( 4.347 -1.027 0.361) 4.481 1.607 ( 3.434 -5.888 -0.657) 6.848 1.647 ( 2.086 -2.476 -2.916) 4.357 1.708 ( -0.587 0.372 -5.839) 5.880 1.737 ( 0.980 -0.688 -0.821) 1.452 1.835 ( 7.108 4.186 3.046) 8.794 1.846 ( -2.258 1.225 -0.141) 2.572 1.893 ( -1.880 1.761 -2.944) 3.912 1.934 ( -2.361 -2.328 -2.053) 3.900 1.993 ( 2.064 -1.125 -2.091) 3.146 2.021 ( -1.888 -1.575 0.731) 2.565 2.057 ( 3.886 -2.376 3.196) 5.564 2.078 ( 5.838 2.061 -0.604) 6.221 2.245 ( 0.601 -2.524 0.225) 2.604 2.260 ( -4.185 3.891 -1.789) 5.988 2.302 ( -1.702 -0.065 2.307) 2.868 2.371 ( 1.301 -2.470 -1.522) 3.180 2.422 ( 0.725 -1.024 -2.407) 2.715 2.447 ( -0.674 -1.847 1.202) 2.305 2.474 ( -5.393 -0.705 2.011) 5.799 2.518 ( -1.903 3.571 -0.140) 4.049 2.556 ( -2.299 1.167 1.320) 2.896 2.663 ( 0.557 -0.032 1.862) 1.944 2.723 ( 0.862 2.119 1.359) 2.660 2.776 ( -5.214 -3.527 1.576) 6.489 2.849 ( -3.195 1.488 0.029) 3.525 2.981 ( -2.682 0.375 1.817) 3.261 2.989 ( 1.275 -0.519 -0.478) 1.457 3.208 ( 0.735 0.341 1.370) 1.592 3.243 ( -0.649 -0.243 -0.030) 0.694 3.489 ( 1.594 0.239 -1.410) 2.141 3.604 ( 1.373 -1.595 1.771) 2.751 3.851 ( -2.156 4.904 1.346) 5.524 3.864 ( -1.471 2.068 -0.895) 2.691 4.130 ( 0.865 -0.659 -2.689) 2.900 4.241 ( 2.733 -4.195 -1.352) 5.186 4.285 ( -0.349 -4.547 3.718) 5.883 4.318 ( -2.473 -0.149 -2.687) 3.655 4.567 ( 2.567 7.040 -0.406) 7.505 4.855 ( 1.501 0.720 -1.845) 2.485 5.002 ( -1.150 -2.949 0.564) 3.215 5.123 ( 0.412 -0.169 -4.142) 4.166 5.233 ( -8.993 -1.634 -4.064) 10.003 5.454 ( -0.892 -2.253 0.895) 2.583 7.948 ( -1.379 2.235 -1.739) 3.150 8.104 ( 0.348 3.551 2.173) 4.178 8.223 ( -2.200 1.161 4.744) 5.357 8.384 ( -2.776 3.408 -3.739) 5.771 8.517 ( 3.045 -2.358 2.393) 4.534 8.733 ( 3.042 -3.284 3.995) 5.999 9.695 ( 1.507 1.677 -4.642) 5.161 9.887 ( 3.962 -1.037 -2.252) 4.674 10.068 ( 0.794 -0.361 0.266) 0.912 10.206 ( 1.389 -1.487 0.606) 2.123 12.674 ( 0.439 1.301 1.411) 1.969 12.746 ( 1.182 0.703 2.121) 2.528 12.857 ( -2.625 1.265 -0.362) 2.936 13.029 ( -0.434 -3.285 1.932) 3.835 13.343 ( -2.577 0.106 -1.133) 2.817 13.358 ( 0.070 0.965 -2.105) 2.317 13.512 ( 0.528 -1.117 5.602) 5.736 13.668 ( -5.209 2.618 -5.072) 7.727 13.794 ( -0.327 -3.424 -1.383) 3.707 13.836 ( 0.087 -0.026 -3.492) 3.493 17.020 ( -0.622 1.516 2.590) 3.065 17.059 ( -2.710 1.908 -0.956) 3.450 22.987 ( -1.412 2.143 1.227) 2.844 23.014 ( -3.174 1.986 0.864) 3.842 24.752 ( -0.049 0.421 -0.189) 0.464 24.807 ( 0.226 -0.667 0.783) 1.053 26.082 ( 1.171 0.616 -1.304) 1.858 26.103 ( 0.992 -2.175 -0.265) 2.405 26.268 ( 2.633 0.172 -1.791) 3.189 26.301 ( 0.060 0.515 2.233) 2.292 26.358 ( 1.601 -0.484 -0.939) 1.918 26.399 ( 5.120 1.786 -1.308) 5.578 26.573 ( 1.582 1.712 -0.597) 2.406 26.672 ( 1.713 3.732 -2.602) 4.862 27.037 ( -1.954 -4.058 8.170) 9.330 27.145 ( -6.703 -5.395 -2.689) 9.015======================= Grid point 13 (10/69) =======================q-point: ( 0.44 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.017 ( 2.526 0.565 4.023) 4.783 1.050 ( 0.889 -2.947 -0.493) 3.117 1.121 ( 0.595 5.096 4.904) 7.098 1.143 ( 0.496 -1.508 -2.441) 2.912 1.188 ( 1.208 1.820 6.077) 6.457 1.292 ( -0.782 0.323 -3.600) 3.698 1.330 ( 0.910 3.262 -1.194) 3.591 1.347 ( 8.324 2.413 2.237) 8.951 1.431 ( 1.781 2.500 -0.107) 3.071 1.465 ( 0.237 1.998 0.972) 2.235 1.549 ( -7.096 -0.542 -2.107) 7.422 1.587 ( 1.793 0.591 -1.802) 2.610 1.643 ( 2.936 -4.205 -1.129) 5.251 1.681 ( 3.497 -0.507 -1.172) 3.723 1.740 ( -2.019 2.267 0.856) 3.154 1.768 ( -4.065 -1.741 -0.513) 4.451 1.841 ( -1.343 -1.138 -3.046) 3.518 1.900 ( 1.821 1.411 -0.667) 2.398 1.947 ( -1.450 -1.888 -0.205) 2.390 1.988 ( 0.627 -0.666 0.657) 1.126 2.048 ( 4.328 -1.632 1.998) 5.038 2.100 ( 2.893 0.545 -1.983) 3.549 2.155 ( -1.452 -2.645 0.230) 3.026 2.168 ( 0.358 1.121 -1.354) 1.793 2.256 ( -2.244 -0.785 0.195) 2.386 2.302 ( -0.687 -0.372 -0.419) 0.887 2.368 ( 1.516 -4.330 0.986) 4.693 2.395 ( -2.255 -1.172 1.763) 3.093 2.451 ( 1.198 -1.421 -1.939) 2.686 2.453 ( -1.327 -1.231 1.840) 2.581 2.526 ( 2.265 4.851 1.048) 5.455 2.541 ( -1.031 0.784 0.235) 1.317 2.633 ( -4.338 -1.325 -1.567) 4.799 2.743 ( -0.680 0.464 0.885) 1.209 2.781 ( 2.981 2.359 1.507) 4.089 2.818 ( -1.414 1.455 1.136) 2.326 2.959 ( -1.819 2.511 0.937) 3.239 2.996 ( -0.047 -1.174 -0.153) 1.185 3.219 ( -0.412 2.612 0.638) 2.720 3.245 ( 0.519 0.518 -0.226) 0.767 3.489 ( 0.404 0.006 -0.893) 0.980 3.629 ( 0.240 -0.583 0.485) 0.796 3.826 ( 0.188 1.408 -1.099) 1.796 3.858 ( -1.329 6.680 1.582) 6.992 4.119 ( 0.546 0.380 -0.670) 0.944 4.201 ( -1.704 1.465 -3.483) 4.145 4.276 ( 0.281 -3.364 -0.435) 3.403 4.332 ( 0.698 -7.004 1.826) 7.272 4.653 ( 3.515 4.030 3.067) 6.165 4.862 ( 2.662 -0.869 -1.737) 3.296 4.942 ( -6.078 -3.623 -2.810) 7.613 5.048 ( -1.286 -3.648 -1.760) 4.250 5.128 ( -1.053 4.163 -0.524) 4.326 5.487 ( 0.539 -6.763 1.838) 7.029 7.899 ( -1.568 5.976 -1.169) 6.288 8.117 ( 0.202 6.960 0.166) 6.965 8.243 ( -0.547 0.905 2.570) 2.779 8.326 ( -0.840 1.130 -1.916) 2.377 8.587 ( 1.583 -5.499 1.743) 5.982 8.808 ( 1.352 -4.249 1.967) 4.874 9.668 ( 0.373 2.926 -2.059) 3.597 9.906 ( 1.234 0.494 -1.174) 1.774 10.083 ( 0.460 -1.682 0.222) 1.758 10.227 ( 0.552 -2.278 0.242) 2.357 12.699 ( 0.440 1.265 1.081) 1.721 12.777 ( 0.439 0.020 0.766) 0.883 12.820 ( -1.154 1.009 -0.277) 1.558 13.043 ( 0.101 -5.089 0.660) 5.133 13.295 ( -0.935 4.281 -0.362) 4.396 13.354 ( -0.015 4.105 -0.347) 4.120 13.547 ( -2.209 0.996 -2.619) 3.567 13.575 ( -0.088 -0.358 2.429) 2.457 13.781 ( -0.396 -3.701 0.413) 3.745 13.803 ( 0.418 -2.718 -2.868) 3.973 17.012 ( -1.117 1.819 -0.221) 2.145 17.040 ( -0.166 0.773 0.632) 1.012 22.980 ( -0.604 2.087 0.436) 2.216 22.988 ( -1.043 2.081 0.279) 2.345 24.751 ( 0.040 0.427 -0.047) 0.431 24.815 ( 0.022 -0.831 0.271) 0.874 26.084 ( 0.692 0.031 -0.841) 1.089 26.110 ( 0.073 -2.638 0.052) 2.639 26.265 ( 0.170 -1.546 -1.071) 1.888 26.323 ( 0.158 -0.758 0.868) 1.164 26.373 ( 0.948 3.161 -0.338) 3.317 26.468 ( 2.760 3.113 0.995) 4.277 26.595 ( 1.422 5.716 -1.094) 5.991 26.645 ( -0.971 2.975 -0.813) 3.234 27.032 ( -3.472 -6.107 -1.531) 7.190 27.105 ( 0.522 -7.121 3.447) 7.928======================= Grid point 18 (11/69) =======================q-point: ( 0.00 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.706 ( 0.000 12.205 0.000) 12.205 0.740 ( 0.000 14.682 0.000) 14.682 0.909 ( 0.000 -7.546 0.000) 7.546 0.967 ( 0.000 -5.236 0.000) 5.236 1.124 ( 0.000 1.856 0.000) 1.856 1.161 ( 0.000 -3.467 0.000) 3.467 1.216 ( 0.000 0.106 0.000) 0.106 1.265 ( 0.000 -2.997 0.000) 2.997 1.401 ( 0.000 16.751 0.000) 16.751 1.405 ( 0.000 2.119 0.000) 2.119 1.416 ( 0.000 4.889 0.000) 4.889 1.479 ( 0.000 -0.832 0.000) 0.832 1.528 ( 0.000 0.112 0.000) 0.112 1.666 ( 0.000 -1.095 0.000) 1.095 1.669 ( 0.000 -0.766 0.000) 0.766 1.742 ( 0.000 2.272 0.000) 2.272 1.787 ( 0.000 -6.334 0.000) 6.334 1.874 ( 0.000 -6.411 0.000) 6.411 1.925 ( 0.000 3.790 0.000) 3.790 2.021 ( 0.000 0.946 0.000) 0.946 2.069 ( 0.000 0.453 0.000) 0.453 2.094 ( 0.000 -1.797 0.000) 1.797 2.145 ( 0.000 0.972 0.000) 0.972 2.178 ( 0.000 -8.230 0.000) 8.230 2.265 ( 0.000 1.325 0.000) 1.325 2.292 ( 0.000 -0.424 0.000) 0.424 2.375 ( 0.000 0.533 0.000) 0.533 2.397 ( 0.000 -1.061 0.000) 1.061 2.408 ( 0.000 1.069 0.000) 1.069 2.439 ( 0.000 -0.581 0.000) 0.581 2.483 ( 0.000 4.246 0.000) 4.246 2.603 ( 0.000 -5.928 0.000) 5.928 2.739 ( 0.000 1.269 0.000) 1.269 2.785 ( 0.000 -2.337 0.000) 2.337 2.876 ( 0.000 3.103 0.000) 3.103 2.924 ( 0.000 -0.440 0.000) 0.440 2.947 ( 0.000 3.257 0.000) 3.257 3.037 ( 0.000 -3.960 0.000) 3.960 3.196 ( 0.000 0.593 0.000) 0.593 3.211 ( 0.000 -1.224 0.000) 1.224 3.455 ( 0.000 0.614 0.000) 0.614 3.468 ( 0.000 -0.461 0.000) 0.461 3.963 ( 0.000 5.090 0.000) 5.090 4.060 ( 0.000 3.856 0.000) 3.856 4.061 ( 0.000 -4.131 0.000) 4.131 4.120 ( 0.000 -1.459 0.000) 1.459 4.154 ( 0.000 -2.750 0.000) 2.750 4.174 ( 0.000 -3.663 0.000) 3.663 4.852 ( 0.000 1.575 0.000) 1.575 4.893 ( 0.000 -0.835 0.000) 0.835 4.972 ( 0.000 0.344 0.000) 0.344 5.009 ( 0.000 -1.936 0.000) 1.936 5.593 ( 0.000 14.642 0.000) 14.642 5.907 ( 0.000 -14.079 0.000) 14.079 7.914 ( 0.000 3.532 0.000) 3.532 7.983 ( 0.000 -2.721 0.000) 2.721 8.307 ( 0.000 10.548 0.000) 10.548 8.466 ( 0.000 2.357 0.000) 2.357 8.487 ( 0.000 -6.071 0.000) 6.071 8.574 ( 0.000 -7.854 0.000) 7.854 9.714 ( 0.000 0.860 0.000) 0.860 9.722 ( 0.000 0.059 0.000) 0.059 10.071 ( 0.000 1.980 0.000) 1.980 10.116 ( 0.000 -2.103 0.000) 2.103 12.684 ( 0.000 1.667 0.000) 1.667 12.695 ( 0.000 0.520 0.000) 0.520 12.944 ( 0.000 0.362 0.000) 0.362 12.968 ( 0.000 -1.815 0.000) 1.815 13.395 ( 0.000 6.062 0.000) 6.062 13.494 ( 0.000 -2.846 0.000) 2.846 13.581 ( 0.000 5.938 0.000) 5.938 13.697 ( 0.000 -4.992 0.000) 4.992 13.964 ( 0.000 0.648 0.000) 0.648 14.027 ( 0.000 -5.251 0.000) 5.251 17.030 ( 0.000 4.217 0.000) 4.217 17.107 ( 0.000 -2.978 0.000) 2.978 23.067 ( 0.000 4.559 0.000) 4.559 23.161 ( 0.000 -4.097 0.000) 4.097 24.759 ( 0.000 0.107 0.000) 0.107 24.763 ( 0.000 -0.259 0.000) 0.259 26.023 ( 0.000 -0.001 0.000) 0.001 26.034 ( 0.000 -0.913 0.000) 0.913 26.132 ( 0.000 1.702 0.000) 1.702 26.165 ( 0.000 -1.210 0.000) 1.210 26.286 ( 0.000 1.656 0.000) 1.656 26.321 ( 0.000 -1.449 0.000) 1.449 26.612 ( 0.000 -0.608 0.000) 0.608 26.620 ( 0.000 -1.550 0.000) 1.550 27.152 ( 0.000 5.917 0.000) 5.917 27.261 ( 0.000 -4.271 0.000) 4.271======================= Grid point 19 (12/69) =======================q-point: ( 0.11 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.725 ( 0.510 12.056 1.908) 12.217 0.791 ( 5.908 11.899 3.151) 13.653 0.920 ( 1.407 -5.436 0.647) 5.652 0.989 ( 1.282 -4.825 2.179) 5.447 1.091 ( -0.718 1.093 -3.192) 3.449 1.149 ( 1.817 -4.476 -2.162) 5.292 1.215 ( -0.579 2.360 1.437) 2.824 1.288 ( 0.696 -2.948 1.925) 3.589 1.378 ( -0.252 2.701 -0.594) 2.777 1.401 ( 1.144 2.933 -3.881) 4.997 1.447 ( 1.196 1.037 -0.061) 1.584 1.516 ( 1.647 0.064 -0.455) 1.710 1.590 ( 1.791 2.312 -1.857) 3.464 1.635 ( 2.162 6.125 4.475) 7.888 1.662 ( 3.232 -0.905 -0.953) 3.489 1.801 ( 2.115 2.843 2.071) 4.105 1.809 ( 3.497 -2.654 -0.443) 4.412 1.898 ( 0.855 -1.282 -0.441) 1.603 1.921 ( 1.689 -2.692 -0.585) 3.231 2.009 ( -0.823 -2.783 -0.633) 2.970 2.055 ( -0.509 2.068 0.010) 2.130 2.109 ( 0.940 -1.512 0.697) 1.912 2.122 ( -0.539 2.372 -3.615) 4.357 2.172 ( -0.622 -3.917 -4.326) 5.869 2.255 ( -1.457 0.653 3.622) 3.958 2.279 ( -2.920 -1.268 1.094) 3.366 2.350 ( -0.173 0.253 -2.795) 2.812 2.379 ( 0.319 -1.065 2.432) 2.674 2.432 ( 3.268 1.328 -1.028) 3.674 2.467 ( 1.410 -2.148 0.889) 2.719 2.551 ( 2.602 2.675 3.836) 5.352 2.616 ( -0.420 -3.985 1.075) 4.149 2.717 ( -2.368 0.715 0.169) 2.480 2.748 ( -3.800 -1.590 -0.311) 4.131 2.845 ( -2.228 2.660 -0.915) 3.588 2.900 ( -1.590 -1.661 -1.462) 2.725 2.942 ( 0.008 2.239 -0.308) 2.260 3.010 ( -2.021 -3.215 -0.966) 3.918 3.190 ( -0.597 0.948 0.319) 1.165 3.218 ( -0.093 -1.579 0.492) 1.657 3.467 ( 1.276 0.966 0.253) 1.620 3.487 ( 1.367 -0.732 1.160) 1.936 3.956 ( -0.468 3.820 -0.486) 3.879 4.002 ( -2.442 1.030 -1.791) 3.199 4.077 ( 0.464 -0.926 -0.565) 1.180 4.131 ( -0.440 -3.332 1.737) 3.784 4.175 ( 1.547 -1.601 -0.529) 2.288 4.194 ( 0.928 -2.833 2.584) 3.945 4.848 ( -0.711 2.186 0.257) 2.313 4.896 ( -0.134 -0.249 0.315) 0.423 4.961 ( -0.290 1.309 -1.008) 1.677 5.031 ( 2.542 -3.299 -0.492) 4.193 5.549 ( -4.057 12.785 -2.178) 13.589 5.810 ( -7.068 -10.592 -6.359) 14.233 7.917 ( 0.762 1.896 0.786) 2.189 7.965 ( -0.889 -2.593 -0.562) 2.798 8.309 ( -0.247 7.717 1.083) 7.796 8.405 ( -0.531 -1.452 -2.254) 2.734 8.559 ( 2.648 -0.571 2.453) 3.655 8.615 ( -0.199 -4.715 2.984) 5.583 9.715 ( 2.366 1.224 -2.168) 3.435 9.742 ( 3.113 -1.266 -1.672) 3.753 10.080 ( 0.416 2.118 0.783) 2.297 10.125 ( 0.428 -1.956 0.843) 2.172 12.688 ( 0.573 1.659 0.014) 1.755 12.705 ( 0.757 0.151 0.417) 0.877 12.939 ( -1.344 0.820 1.069) 1.903 12.970 ( -1.171 -1.939 1.724) 2.847 13.346 ( -1.777 5.529 -3.733) 6.904 13.457 ( -2.660 -4.216 -2.722) 5.680 13.571 ( -1.220 5.841 0.394) 5.980 13.696 ( -0.834 -5.670 0.922) 5.805 13.930 ( -1.622 2.032 -2.652) 3.714 13.993 ( -1.063 -3.262 -4.231) 5.447 17.042 ( -1.234 4.254 3.471) 5.627 17.120 ( -1.563 -2.938 3.359) 4.728 23.061 ( -1.384 3.867 0.954) 4.216 23.134 ( -3.319 -2.633 0.482) 4.264 24.763 ( 0.087 0.100 0.359) 0.383 24.767 ( 0.137 -0.228 0.576) 0.635 26.040 ( 2.102 0.997 0.230) 2.338 26.072 ( 3.228 -1.730 -0.194) 3.667 26.145 ( 1.459 2.294 1.506) 3.108 26.202 ( 2.734 -2.879 1.087) 4.117 26.300 ( 3.081 1.888 -1.710) 3.997 26.331 ( 3.509 -0.946 -2.879) 4.636 26.590 ( -0.818 -0.167 -1.753) 1.941 26.605 ( 0.174 -1.659 -1.706) 2.386 27.131 ( -4.549 5.494 2.597) 7.591 27.239 ( -4.133 -4.783 1.514) 6.500======================= Grid point 20 (13/69) =======================q-point: ( 0.22 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.806 ( 4.337 8.833 5.432) 11.240 0.967 ( 6.905 0.779 4.420) 8.235 0.974 ( 4.966 0.428 1.904) 5.335 1.057 ( 2.706 -2.778 3.802) 5.431 1.074 ( 1.853 3.351 0.382) 3.849 1.169 ( 2.194 -2.484 1.380) 3.590 1.242 ( 0.566 2.015 3.092) 3.734 1.309 ( -2.399 -2.776 -0.169) 3.673 1.372 ( 4.547 -1.837 -2.172) 5.364 1.397 ( 3.189 -1.595 -1.152) 3.747 1.444 ( 1.706 3.382 -4.320) 5.745 1.504 ( 0.315 -0.633 -1.865) 1.994 1.603 ( 3.308 -0.345 -2.657) 4.257 1.642 ( 0.267 -3.725 1.107) 3.895 1.824 ( 0.163 3.224 0.926) 3.359 1.834 ( 6.108 5.886 1.575) 8.628 1.880 ( 4.277 1.252 1.553) 4.720 1.904 ( 1.928 -0.403 -1.958) 2.777 1.938 ( -1.015 -4.036 0.248) 4.169 1.995 ( -1.835 -2.518 0.824) 3.223 2.012 ( -1.311 4.387 -3.371) 5.686 2.069 ( -0.943 0.201 -6.469) 6.541 2.087 ( 3.570 3.938 -2.736) 5.978 2.175 ( 1.186 -4.407 4.201) 6.203 2.218 ( -1.976 -0.886 -2.808) 3.546 2.276 ( -1.015 -4.160 0.664) 4.333 2.364 ( 1.840 3.581 1.673) 4.360 2.437 ( 1.768 1.131 2.848) 3.538 2.463 ( -0.806 -0.619 1.758) 2.031 2.509 ( 2.051 -1.039 1.718) 2.870 2.563 ( -5.181 -3.186 -0.651) 6.117 2.577 ( -2.626 -0.388 -0.261) 2.668 2.686 ( -3.234 1.641 -0.403) 3.649 2.706 ( -0.903 -0.119 2.238) 2.417 2.820 ( -1.238 2.260 0.764) 2.688 2.871 ( -1.059 -2.010 1.148) 2.546 2.946 ( 0.801 -0.283 -0.164) 0.865 2.968 ( -1.043 -2.129 -1.290) 2.699 3.190 ( 0.389 1.052 0.554) 1.251 3.221 ( 0.410 -1.600 0.187) 1.662 3.493 ( 1.185 1.536 0.609) 2.034 3.527 ( 1.080 -1.420 1.901) 2.608 3.940 ( -1.336 1.818 0.129) 2.260 3.944 ( -2.285 1.064 -1.731) 3.058 4.092 ( 2.403 -0.009 -0.276) 2.419 4.148 ( -0.272 -3.724 1.961) 4.217 4.187 ( 0.963 -0.331 -0.570) 1.167 4.236 ( 0.942 -4.010 1.593) 4.417 4.829 ( -1.812 5.965 -0.923) 6.302 4.888 ( -0.080 1.687 -1.238) 2.094 4.950 ( -0.030 0.226 -0.028) 0.230 5.058 ( 1.917 -5.880 -1.906) 6.471 5.427 ( -6.748 8.104 -3.145) 11.004 5.581 ( -9.186 -5.252 -8.678) 13.685 7.951 ( 0.688 0.512 2.109) 2.277 7.992 ( 2.261 -3.168 4.334) 5.825 8.320 ( -0.443 5.927 1.366) 6.098 8.405 ( 0.956 -1.629 0.527) 1.961 8.595 ( -1.915 0.977 -2.031) 2.957 8.609 ( 0.663 -1.230 1.163) 1.817 9.735 ( 3.542 1.660 -3.007) 4.934 9.781 ( 4.566 -2.581 -2.008) 5.617 10.093 ( 0.163 2.378 0.469) 2.430 10.144 ( 0.495 -2.136 0.936) 2.385 12.699 ( 0.511 1.802 0.239) 1.888 12.723 ( 0.822 -0.217 0.586) 1.033 12.926 ( -2.021 1.652 1.033) 2.807 12.967 ( -1.825 -2.212 1.848) 3.411 13.309 ( 0.924 1.670 -0.351) 1.941 13.373 ( -2.519 -3.790 -2.940) 5.418 13.560 ( -1.804 5.947 1.759) 6.459 13.690 ( -1.822 -6.048 1.509) 6.494 13.861 ( -1.242 2.666 -5.831) 6.531 13.908 ( -1.699 -1.355 -6.059) 6.437 17.059 ( -2.214 3.435 3.875) 5.632 17.116 ( -3.352 -1.626 2.576) 4.529 23.048 ( -2.016 2.596 1.459) 3.596 23.085 ( -3.648 -0.578 0.927) 3.808 24.766 ( -0.123 0.541 0.215) 0.595 24.779 ( 0.184 -0.617 0.768) 1.003 26.077 ( 2.355 1.306 -0.633) 2.766 26.100 ( 1.416 0.010 -1.330) 1.943 26.207 ( 2.745 -0.073 1.884) 3.330 26.243 ( 0.366 -3.117 1.056) 3.312 26.349 ( 6.364 2.241 -2.686) 7.262 26.369 ( 5.962 0.286 -3.099) 6.725 26.569 ( 0.825 0.983 -0.928) 1.584 26.620 ( 3.627 -2.819 -0.122) 4.596 27.069 ( -7.783 3.924 3.550) 9.412 27.161 ( -7.142 -4.803 0.435) 8.618======================= Grid point 21 (14/69) =======================q-point: ( 0.33 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.947 ( 5.129 4.362 4.141) 7.905 1.008 ( 1.635 -0.990 -0.649) 2.019 1.100 ( 2.740 -0.789 1.500) 3.222 1.135 ( 2.215 -1.697 4.467) 5.267 1.176 ( 1.055 5.732 8.496) 10.303 1.240 ( -2.638 -1.328 -1.819) 3.468 1.284 ( 6.647 3.588 4.022) 8.558 1.332 ( 5.831 -2.122 4.092) 7.433 1.405 ( 1.845 2.320 -3.456) 4.553 1.466 ( 5.716 -2.185 -0.170) 6.122 1.473 ( 3.871 -2.886 1.096) 4.951 1.505 ( 4.517 -0.481 -0.657) 4.590 1.631 ( 3.261 -0.729 -2.047) 3.919 1.653 ( 0.281 -1.120 -1.617) 1.987 1.797 ( -3.533 3.244 -0.593) 4.832 1.828 ( -1.898 -0.550 -4.984) 5.361 1.890 ( 1.275 -0.043 -1.511) 1.977 1.904 ( -3.982 -1.371 0.969) 4.321 1.929 ( -1.348 1.043 0.759) 1.866 1.959 ( -0.118 -1.943 -0.965) 2.173 2.023 ( 4.158 2.252 -1.220) 4.883 2.055 ( 2.729 1.200 -1.275) 3.243 2.145 ( 3.890 3.727 -0.502) 5.410 2.177 ( 0.218 -1.531 -0.725) 1.708 2.226 ( 0.460 -5.315 0.976) 5.424 2.249 ( -0.596 -4.592 -3.107) 5.576 2.366 ( -3.498 2.955 -0.310) 4.589 2.432 ( -4.960 -2.857 1.436) 5.901 2.465 ( -2.025 3.969 -0.102) 4.457 2.485 ( 0.282 3.374 0.900) 3.503 2.535 ( -1.201 -1.342 0.265) 1.820 2.579 ( -0.332 -2.645 0.573) 2.726 2.653 ( -0.281 2.111 2.139) 3.018 2.709 ( -1.437 -2.002 2.861) 3.776 2.812 ( -0.465 4.129 0.929) 4.258 2.867 ( -1.269 -0.682 0.387) 1.492 2.956 ( 0.164 -1.026 0.551) 1.176 2.967 ( 1.207 -1.684 -0.546) 2.143 3.224 ( 2.410 1.238 1.327) 3.017 3.245 ( 1.798 -0.290 0.907) 2.035 3.511 ( 0.322 1.859 0.203) 1.897 3.559 ( 0.614 -2.498 1.497) 2.976 3.895 ( -1.608 2.328 -0.975) 2.992 3.927 ( -1.320 0.575 1.216) 1.884 4.131 ( 1.704 0.295 0.215) 1.742 4.165 ( 0.580 -2.743 0.883) 2.940 4.197 ( 0.587 -1.207 0.343) 1.385 4.255 ( -0.088 -4.631 0.106) 4.634 4.760 ( -2.620 9.247 -3.551) 10.246 4.870 ( -0.529 -0.392 -2.085) 2.187 4.956 ( -0.112 -0.622 0.530) 0.824 5.025 ( -1.278 -6.308 -4.341) 7.763 5.295 ( -5.112 5.151 -2.366) 7.633 5.393 ( -4.243 -3.710 -3.686) 6.735 8.001 ( 1.019 3.073 3.587) 4.832 8.083 ( 0.418 -4.125 6.399) 7.625 8.326 ( 0.032 6.156 0.430) 6.171 8.407 ( -0.668 -1.263 -1.825) 2.317 8.536 ( -0.458 3.694 -3.117) 4.855 8.637 ( 1.512 -5.358 1.299) 5.717 9.750 ( 2.570 3.485 -2.681) 5.093 9.832 ( 3.881 -3.850 -1.203) 5.598 10.095 ( -0.113 2.675 -0.143) 2.681 10.158 ( 0.231 -2.913 0.528) 2.970 12.713 ( 0.708 2.047 0.760) 2.296 12.746 ( 1.046 -0.856 0.819) 1.580 12.895 ( -2.470 2.340 -0.027) 3.402 12.955 ( -1.783 -3.318 0.891) 3.870 13.341 ( 0.418 0.411 0.809) 1.000 13.360 ( 3.635 -1.080 1.884) 4.235 13.554 ( -2.971 4.762 3.855) 6.809 13.666 ( -4.664 -4.698 2.508) 7.079 13.758 ( -0.099 2.151 -8.958) 9.214 13.812 ( -0.809 -2.198 -7.218) 7.589 17.059 ( -2.269 1.845 2.433) 3.804 17.082 ( -3.141 -0.021 0.906) 3.269 23.033 ( -1.792 1.740 1.197) 2.770 23.046 ( -2.536 0.619 0.873) 2.753 24.766 ( -0.085 0.931 0.115) 0.942 24.788 ( 0.019 -1.064 0.511) 1.181 26.088 ( 0.814 0.457 -1.774) 2.004 26.096 ( 0.566 0.268 -1.525) 1.649 26.240 ( 0.222 -1.031 -0.567) 1.197 26.258 ( 0.807 -2.283 1.139) 2.676 26.425 ( 6.570 3.440 -1.943) 7.666 26.453 ( 4.969 1.563 1.896) 5.543 26.601 ( 3.763 2.762 -0.115) 4.669 26.694 ( 5.891 -3.228 -2.128) 7.047 26.981 ( -8.600 0.238 4.476) 9.698 27.036 ( -8.082 -4.226 -0.840) 9.159======================= Grid point 22 (15/69) =======================q-point: ( 0.44 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.019 ( 0.449 0.438 -0.223) 0.665 1.032 ( 1.974 -0.135 1.083) 2.256 1.118 ( -0.247 1.194 -0.856) 1.490 1.193 ( 0.200 -2.505 -0.269) 2.528 1.234 ( 1.565 2.153 5.173) 5.818 1.281 ( 0.780 -1.419 3.227) 3.610 1.382 ( 2.023 2.159 -0.642) 3.028 1.405 ( -0.146 2.886 3.074) 4.219 1.421 ( 2.275 2.475 1.920) 3.872 1.532 ( -1.275 1.214 -6.491) 6.725 1.553 ( 1.286 -1.441 1.087) 2.216 1.574 ( 3.544 -2.173 1.649) 4.472 1.639 ( 5.098 0.845 1.102) 5.284 1.659 ( 5.577 0.979 -2.462) 6.174 1.768 ( -3.863 1.868 1.304) 4.485 1.791 ( -1.141 2.982 -0.080) 3.194 1.815 ( -2.066 -1.392 -1.196) 2.763 1.879 ( 0.056 -3.432 1.326) 3.680 1.946 ( 2.131 1.059 0.335) 2.403 1.957 ( 0.351 -0.736 -0.610) 1.018 2.053 ( -1.819 -0.954 -4.027) 4.520 2.074 ( 0.849 1.226 -0.736) 1.663 2.125 ( -2.339 -2.831 0.128) 3.674 2.161 ( 0.285 -2.378 -1.960) 3.094 2.210 ( 0.077 -0.704 2.319) 2.424 2.260 ( -0.455 -3.460 0.761) 3.572 2.310 ( -0.062 2.620 -2.729) 3.784 2.375 ( -1.778 -2.605 -0.684) 3.227 2.462 ( -0.068 2.776 0.575) 2.836 2.475 ( -0.940 1.969 0.101) 2.184 2.525 ( -1.074 -1.567 0.951) 2.125 2.541 ( -2.137 -3.247 -0.711) 3.951 2.685 ( 1.327 5.844 1.074) 6.088 2.770 ( 1.974 -1.369 2.823) 3.707 2.820 ( 0.084 2.440 0.702) 2.540 2.847 ( -1.185 0.284 -0.257) 1.246 2.959 ( -0.206 -0.723 0.101) 0.759 2.967 ( -0.074 -1.272 -0.708) 1.458 3.277 ( 1.641 2.095 1.051) 2.861 3.283 ( 1.088 1.635 0.805) 2.123 3.510 ( -0.175 2.311 -0.174) 2.324 3.581 ( 0.501 -3.714 0.460) 3.776 3.872 ( -0.507 3.290 -0.239) 3.337 3.927 ( -0.422 -0.484 1.011) 1.198 4.146 ( 0.042 1.574 0.967) 1.848 4.177 ( 0.672 -2.369 -1.492) 2.879 4.213 ( -0.109 -2.653 1.622) 3.112 4.234 ( -0.657 -2.287 -1.460) 2.792 4.719 ( 0.749 3.276 0.272) 3.372 4.793 ( -3.324 -3.581 -4.590) 6.704 4.947 ( -0.468 1.836 -0.316) 1.921 4.987 ( 0.091 -2.208 -0.477) 2.261 5.229 ( -1.306 5.121 -0.793) 5.344 5.343 ( -0.705 -6.074 -0.223) 6.119 8.037 ( -0.381 6.486 1.559) 6.681 8.150 ( 0.023 -3.450 4.620) 5.766 8.317 ( -0.248 3.698 -2.686) 4.577 8.373 ( -0.019 0.383 -0.688) 0.788 8.515 ( 0.410 3.282 -1.058) 3.473 8.676 ( 0.955 -8.082 0.985) 8.197 9.755 ( 0.891 5.153 -1.033) 5.331 9.865 ( 1.435 -4.493 -0.436) 4.736 10.091 ( -0.072 2.706 -0.157) 2.711 10.164 ( 0.033 -3.567 0.126) 3.569 12.736 ( 0.692 1.952 0.695) 2.185 12.769 ( 0.662 -0.997 0.442) 1.276 12.859 ( -1.398 2.692 -0.361) 3.055 12.935 ( -0.994 -4.573 0.041) 4.680 13.395 ( 2.726 4.307 2.607) 5.725 13.434 ( 2.729 1.742 0.489) 3.275 13.554 ( -3.224 1.183 3.633) 4.999 13.588 ( -4.542 0.275 -0.446) 4.572 13.697 ( 0.735 -2.729 -2.595) 3.837 13.725 ( 0.207 -3.933 -5.965) 7.148 17.047 ( -1.288 1.158 0.498) 1.802 17.055 ( -0.915 0.348 0.386) 1.052 23.022 ( -0.726 1.415 0.441) 1.651 23.026 ( -0.898 1.075 0.353) 1.445 24.766 ( -0.017 1.042 0.039) 1.043 24.792 ( -0.028 -1.266 0.167) 1.277 26.079 ( 0.294 -0.162 -0.872) 0.934 26.085 ( -0.094 -0.336 -0.700) 0.782 26.236 ( -0.036 0.163 -0.189) 0.252 26.275 ( 0.375 -2.888 0.173) 2.917 26.495 ( 3.103 6.068 -0.239) 6.819 26.543 ( 2.146 2.419 2.791) 4.271 26.668 ( 4.472 2.376 -0.646) 5.105 26.715 ( 1.035 1.151 -3.318) 3.661 26.902 ( -5.803 -4.072 0.243) 7.093 26.940 ( -2.871 -6.632 2.288) 7.580======================= Grid point 45 (16/69) =======================q-point: ( 0.00 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.338 ( 6.351 0.000 15.633) 16.874 0.383 ( 2.338 0.000 18.180) 18.330 0.666 ( -4.991 0.000 30.061) 30.473 0.973 ( -0.327 0.000 3.361) 3.377 1.063 ( -3.692 0.000 -5.523) 6.643 1.140 ( -2.246 0.000 -3.068) 3.802 1.197 ( 1.340 0.000 0.229) 1.359 1.286 ( 1.140 0.000 4.958) 5.088 1.317 ( 1.203 0.000 -0.612) 1.349 1.401 ( -3.439 0.000 -1.183) 3.637 1.413 ( -0.134 0.000 3.593) 3.596 1.543 ( -0.672 0.000 -7.604) 7.634 1.622 ( 4.012 0.000 -4.354) 5.921 1.679 ( -3.342 0.000 -1.620) 3.714 1.810 ( 2.042 0.000 -2.107) 2.935 1.819 ( -1.048 0.000 -1.502) 1.831 1.908 ( -0.401 0.000 1.790) 1.834 1.909 ( -5.310 0.000 -1.143) 5.432 1.959 ( -6.407 0.000 -2.596) 6.913 2.002 ( 1.552 0.000 4.364) 4.632 2.046 ( 1.419 0.000 -3.565) 3.837 2.120 ( -0.760 0.000 -0.042) 0.761 2.128 ( 2.306 0.000 3.333) 4.053 2.152 ( -3.189 0.000 0.159) 3.193 2.234 ( -2.114 0.000 0.280) 2.132 2.309 ( 0.246 0.000 -0.591) 0.640 2.326 ( -0.495 0.000 -1.401) 1.486 2.415 ( 0.998 0.000 2.265) 2.475 2.450 ( -1.752 0.000 1.727) 2.460 2.492 ( -0.048 0.000 -7.403) 7.403 2.520 ( 0.131 0.000 0.544) 0.559 2.676 ( 0.241 0.000 -5.021) 5.027 2.775 ( 1.499 0.000 0.038) 1.500 2.830 ( -0.370 0.000 -0.301) 0.477 2.884 ( 0.448 0.000 3.060) 3.092 2.953 ( 1.230 0.000 -1.821) 2.198 2.967 ( 6.999 0.000 -0.521) 7.018 3.103 ( 0.677 0.000 -1.914) 2.030 3.180 ( 0.529 0.000 1.967) 2.037 3.296 ( 0.819 0.000 -1.017) 1.306 3.511 ( 0.440 0.000 3.515) 3.543 3.647 ( -18.381 0.000 -1.555) 18.446 3.733 ( -7.982 0.000 3.294) 8.635 3.970 ( 1.167 0.000 0.065) 1.168 4.180 ( -1.028 0.000 3.870) 4.004 4.182 ( 0.884 0.000 1.480) 1.724 4.332 ( -1.344 0.000 -1.676) 2.148 4.446 ( -3.163 0.000 -0.187) 3.168 4.536 ( 31.741 0.000 -3.007) 31.883 4.741 ( -9.282 0.000 -7.807) 12.129 4.911 ( 2.102 0.000 4.673) 5.124 5.175 ( -0.954 0.000 -2.026) 2.239 5.271 ( 4.438 0.000 3.384) 5.581 5.740 ( -5.633 0.000 -6.559) 8.646 7.857 ( 4.181 0.000 4.463) 6.116 8.037 ( -0.046 0.000 0.027) 0.053 8.095 ( -0.196 0.000 7.765) 7.767 8.458 ( -1.617 0.000 1.478) 2.191 8.630 ( -0.210 0.000 -2.462) 2.471 8.723 ( -1.536 0.000 -6.118) 6.308 9.661 ( -1.495 0.000 -0.963) 1.778 9.692 ( 2.259 0.000 -1.604) 2.771 10.036 ( -1.232 0.000 0.874) 1.510 10.151 ( -0.302 0.000 -1.655) 1.682 12.620 ( 0.478 0.000 1.009) 1.116 12.663 ( -0.861 0.000 -0.007) 0.861 12.965 ( -1.039 0.000 0.983) 1.431 13.020 ( 2.743 0.000 -1.194) 2.992 13.406 ( 4.749 0.000 1.991) 5.149 13.407 ( 0.243 0.000 5.873) 5.878 13.589 ( -2.905 0.000 -0.252) 2.916 13.784 ( 6.559 0.000 -0.736) 6.600 13.810 ( 3.447 0.000 -1.569) 3.787 13.996 ( -6.102 0.000 -6.884) 9.199 16.940 ( 0.719 0.000 3.448) 3.523 17.152 ( -0.279 0.000 -1.568) 1.592 22.991 ( -0.132 0.000 2.072) 2.076 23.161 ( 6.342 0.000 -1.741) 6.576 24.763 ( 0.902 0.000 0.555) 1.059 24.776 ( -0.877 0.000 0.249) 0.912 26.058 ( 1.969 0.000 0.880) 2.157 26.073 ( 1.904 0.000 -0.101) 1.906 26.078 ( 2.060 0.000 -0.353) 2.090 26.097 ( -3.961 0.000 0.240) 3.969 26.247 ( -0.193 0.000 0.102) 0.218 26.279 ( 0.941 0.000 -0.091) 0.946 26.667 ( -0.619 0.000 -3.670) 3.722 26.674 ( -4.651 0.000 -1.403) 4.858 27.048 ( 0.693 0.000 7.948) 7.978 27.508 ( -1.691 0.000 -3.953) 4.299======================= Grid point 46 (17/69) =======================q-point: ( 0.11 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.649 ( 7.755 0.000 15.432) 17.272 0.659 ( 6.720 0.000 14.868) 16.317 0.962 ( 1.759 0.000 -7.321) 7.530 0.998 ( 7.702 0.000 19.367) 20.842 1.026 ( 1.449 0.000 3.624) 3.903 1.052 ( -1.602 0.000 -5.141) 5.385 1.229 ( 0.579 0.000 2.515) 2.581 1.317 ( -0.221 0.000 1.467) 1.483 1.371 ( 0.127 0.000 4.531) 4.532 1.398 ( 3.417 0.000 -0.258) 3.427 1.419 ( -0.333 0.000 -1.000) 1.054 1.486 ( 3.038 0.000 -1.638) 3.451 1.586 ( -3.246 0.000 -2.728) 4.240 1.648 ( 4.768 0.000 -5.126) 7.001 1.772 ( -4.278 0.000 -2.767) 5.095 1.802 ( 0.683 0.000 -2.768) 2.851 1.840 ( 0.718 0.000 -1.401) 1.575 1.906 ( -1.435 0.000 0.619) 1.563 1.919 ( -0.910 0.000 2.751) 2.898 2.033 ( 2.460 0.000 -2.188) 3.292 2.062 ( -3.742 0.000 -2.589) 4.551 2.079 ( 1.730 0.000 2.338) 2.908 2.160 ( -1.310 0.000 3.705) 3.929 2.191 ( -1.231 0.000 -0.333) 1.275 2.211 ( 2.675 0.000 3.034) 4.045 2.289 ( -2.764 0.000 -1.989) 3.405 2.310 ( 2.814 0.000 -3.786) 4.717 2.418 ( 1.731 0.000 -5.208) 5.488 2.454 ( -0.228 0.000 2.818) 2.827 2.466 ( 2.271 0.000 2.429) 3.325 2.538 ( 0.143 0.000 1.785) 1.790 2.625 ( 1.146 0.000 -5.430) 5.550 2.772 ( -5.966 0.000 -1.217) 6.089 2.805 ( -0.311 0.000 2.479) 2.499 2.912 ( -0.603 0.000 0.114) 0.613 2.955 ( 1.481 0.000 -1.500) 2.108 2.976 ( -3.249 0.000 1.606) 3.624 3.065 ( -1.587 0.000 -2.770) 3.192 3.202 ( -0.193 0.000 2.193) 2.201 3.280 ( -0.576 0.000 -1.749) 1.841 3.481 ( -4.823 0.000 2.443) 5.406 3.594 ( 3.016 0.000 5.353) 6.144 3.754 ( -0.419 0.000 3.881) 3.904 3.966 ( -1.361 0.000 -1.296) 1.879 4.174 ( -4.325 0.000 0.115) 4.326 4.227 ( 2.369 0.000 1.836) 2.997 4.292 ( -1.110 0.000 -1.768) 2.088 4.422 ( 0.353 0.000 3.270) 3.289 4.510 ( -8.175 0.000 -8.106) 11.513 4.737 ( 8.987 0.000 -6.867) 11.310 5.012 ( 3.163 0.000 2.929) 4.311 5.129 ( -1.023 0.000 -2.845) 3.024 5.394 ( 3.388 0.000 6.497) 7.327 5.552 ( -6.651 0.000 -10.116) 12.107 7.987 ( 4.168 0.000 3.101) 5.195 8.015 ( -1.614 0.000 -2.233) 2.755 8.206 ( 0.122 0.000 10.923) 10.924 8.470 ( 0.871 0.000 3.195) 3.312 8.542 ( -6.319 0.000 -8.143) 10.307 8.647 ( 2.660 0.000 -1.377) 2.995 9.643 ( 0.792 0.000 -2.232) 2.369 9.739 ( 5.453 0.000 -2.068) 5.832 10.041 ( 0.307 0.000 1.370) 1.404 10.145 ( 1.752 0.000 -1.327) 2.198 12.652 ( -0.179 0.000 0.007) 0.179 12.661 ( 2.564 0.000 1.466) 2.954 12.941 ( -2.831 0.000 0.218) 2.839 13.046 ( 1.670 0.000 -0.448) 1.729 13.436 ( -3.163 0.000 3.698) 4.866 13.497 ( 0.658 0.000 7.636) 7.664 13.512 ( -4.278 0.000 -3.000) 5.225 13.792 ( -0.112 0.000 -5.480) 5.481 13.810 ( -5.396 0.000 -5.515) 7.716 13.848 ( 1.755 0.000 0.090) 1.758 16.992 ( 0.061 0.000 4.128) 4.128 17.110 ( -1.948 0.000 -2.586) 3.238 23.005 ( -1.303 0.000 2.136) 2.502 23.130 ( -3.824 0.000 -1.632) 4.158 24.761 ( -0.928 0.000 -0.135) 0.938 24.790 ( 1.108 0.000 0.938) 1.452 26.052 ( -1.419 0.000 -0.561) 1.526 26.109 ( 4.286 0.000 0.281) 4.295 26.111 ( 2.447 0.000 -0.507) 2.499 26.162 ( 6.954 0.000 -1.507) 7.116 26.253 ( 1.116 0.000 0.122) 1.123 26.316 ( 4.048 0.000 -0.993) 4.168 26.602 ( -3.783 0.000 0.052) 3.783 26.627 ( -0.566 0.000 -1.326) 1.442 27.130 ( -2.307 0.000 8.746) 9.045 27.403 ( -4.611 0.000 -4.947) 6.763======================= Grid point 47 (18/69) =======================q-point: ( 0.22 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.903 ( 5.506 0.000 9.127) 10.659 0.921 ( 4.064 0.000 15.482) 16.007 0.971 ( 8.718 0.000 -4.470) 9.797 0.989 ( 2.654 0.000 -6.167) 6.714 1.086 ( 1.481 0.000 2.389) 2.811 1.201 ( 1.934 0.000 1.695) 2.571 1.309 ( 1.276 0.000 7.817) 7.920 1.319 ( -1.350 0.000 -4.047) 4.267 1.368 ( 1.272 0.000 0.070) 1.274 1.441 ( 4.003 0.000 -4.778) 6.233 1.480 ( 0.195 0.000 4.068) 4.072 1.569 ( 6.515 0.000 -1.186) 6.622 1.577 ( 7.480 0.000 1.679) 7.666 1.659 ( 3.035 0.000 -3.054) 4.305 1.704 ( -2.463 0.000 1.293) 2.782 1.767 ( 0.932 0.000 -3.895) 4.005 1.800 ( -1.184 0.000 -2.168) 2.470 1.913 ( -1.001 0.000 2.284) 2.494 1.938 ( 0.464 0.000 0.088) 0.472 2.011 ( -0.041 0.000 -0.641) 0.642 2.044 ( 1.269 0.000 -1.588) 2.033 2.109 ( -1.575 0.000 1.080) 1.910 2.125 ( -2.985 0.000 1.359) 3.280 2.190 ( -2.704 0.000 -3.786) 4.652 2.240 ( 1.577 0.000 3.989) 4.289 2.269 ( 1.362 0.000 -0.043) 1.363 2.322 ( 4.924 0.000 -4.221) 6.485 2.429 ( 1.803 0.000 -0.224) 1.817 2.487 ( 0.176 0.000 1.811) 1.819 2.514 ( -0.578 0.000 1.202) 1.334 2.559 ( -1.270 0.000 2.937) 3.200 2.610 ( 3.341 0.000 -2.022) 3.906 2.635 ( -7.763 0.000 -1.633) 7.933 2.807 ( -3.133 0.000 2.770) 4.182 2.835 ( -4.856 0.000 -3.608) 6.050 2.945 ( -1.091 0.000 -3.597) 3.759 2.970 ( -2.866 0.000 4.589) 5.410 3.015 ( -0.289 0.000 -1.131) 1.168 3.221 ( -0.090 0.000 0.711) 0.717 3.241 ( -0.616 0.000 -2.867) 2.932 3.469 ( -0.480 0.000 1.424) 1.503 3.704 ( 0.983 0.000 7.109) 7.177 3.780 ( -1.489 0.000 2.776) 3.150 3.884 ( -6.438 0.000 -2.044) 6.755 4.082 ( -0.707 0.000 -5.173) 5.221 4.266 ( -0.712 0.000 -3.295) 3.371 4.275 ( 1.477 0.000 -1.802) 2.330 4.354 ( -1.096 0.000 0.398) 1.167 4.519 ( 1.653 0.000 8.283) 8.446 4.771 ( 4.561 0.000 -4.381) 6.324 5.069 ( 0.176 0.000 2.823) 2.828 5.085 ( -0.282 0.000 -2.963) 2.977 5.312 ( -7.830 0.000 -10.744) 13.294 5.518 ( 1.850 0.000 7.546) 7.769 7.939 ( -3.073 0.000 -3.933) 4.991 8.030 ( 0.066 0.000 -0.093) 0.114 8.325 ( -0.913 0.000 9.356) 9.400 8.342 ( -5.630 0.000 -7.355) 9.262 8.560 ( 3.368 0.000 5.179) 6.178 8.722 ( 5.933 0.000 0.379) 5.945 9.628 ( 0.555 0.000 -1.949) 2.026 9.796 ( 4.947 0.000 -2.251) 5.435 10.073 ( 1.122 0.000 1.711) 2.046 10.174 ( 3.227 0.000 -0.698) 3.301 12.663 ( 0.931 0.000 0.672) 1.148 12.721 ( 2.809 0.000 1.140) 3.032 12.889 ( -3.474 0.000 -0.316) 3.488 13.062 ( 1.296 0.000 -0.536) 1.403 13.393 ( -5.030 0.000 -4.599) 6.816 13.410 ( -5.885 0.000 4.432) 7.367 13.583 ( -0.588 0.000 6.697) 6.723 13.645 ( -3.912 0.000 -6.898) 7.930 13.772 ( 1.916 0.000 -3.001) 3.560 13.857 ( -0.579 0.000 -0.087) 0.585 17.032 ( -0.468 0.000 3.238) 3.272 17.043 ( -2.167 0.000 -2.893) 3.614 22.997 ( -2.009 0.000 1.019) 2.253 23.050 ( -3.954 0.000 -1.115) 4.108 24.749 ( -0.401 0.000 -0.092) 0.411 24.814 ( 0.683 0.000 0.593) 0.905 26.036 ( 0.729 0.000 -1.377) 1.558 26.143 ( 1.542 0.000 0.738) 1.710 26.174 ( 4.491 0.000 -1.893) 4.874 26.250 ( 4.604 0.000 1.237) 4.767 26.292 ( 3.565 0.000 0.549) 3.607 26.358 ( 3.440 0.000 -2.661) 4.349 26.551 ( -2.974 0.000 0.231) 2.983 26.621 ( -0.050 0.000 0.616) 0.618 27.189 ( -2.562 0.000 8.588) 8.962 27.259 ( -5.321 0.000 -6.009) 8.026======================= Grid point 48 (19/69) =======================q-point: ( 0.33 0.00 -0.80)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.992 ( 7.421 0.000 -5.763) 9.396 1.011 ( 4.432 0.000 -1.623) 4.719 1.102 ( 3.423 0.000 -0.360) 3.442 1.127 ( 2.190 0.000 8.924) 9.189 1.149 ( 6.703 0.000 4.770) 8.227 1.214 ( -0.910 0.000 0.956) 1.320 1.268 ( -5.840 0.000 -4.294) 7.249 1.296 ( 2.588 0.000 -0.733) 2.689 1.393 ( -3.102 0.000 2.248) 3.831 1.469 ( 5.779 0.000 3.451) 6.731 1.494 ( 0.509 0.000 -1.778) 1.849 1.646 ( -0.723 0.000 -0.011) 0.723 1.654 ( 0.585 0.000 -2.876) 2.935 1.707 ( 5.437 0.000 1.508) 5.643 1.709 ( -0.102 0.000 0.924) 0.929 1.784 ( 6.426 0.000 0.161) 6.428 1.810 ( -1.251 0.000 -2.481) 2.779 1.912 ( -3.127 0.000 -2.281) 3.871 1.936 ( 2.232 0.000 7.404) 7.733 2.013 ( -3.455 0.000 -3.585) 4.979 2.030 ( 3.677 0.000 -1.938) 4.156 2.034 ( 0.163 0.000 -1.553) 1.562 2.118 ( -0.688 0.000 0.309) 0.754 2.178 ( 1.372 0.000 -0.411) 1.433 2.263 ( 0.094 0.000 -2.070) 2.072 2.310 ( -0.117 0.000 4.415) 4.417 2.374 ( 5.928 0.000 -1.914) 6.230 2.430 ( 0.520 0.000 -2.248) 2.308 2.471 ( -3.614 0.000 0.518) 3.651 2.478 ( -3.376 0.000 0.424) 3.402 2.553 ( -2.840 0.000 1.500) 3.212 2.577 ( 1.058 0.000 -0.171) 1.072 2.640 ( -1.407 0.000 1.838) 2.315 2.721 ( -3.200 0.000 -1.557) 3.559 2.806 ( -0.877 0.000 1.683) 1.898 2.844 ( -2.361 0.000 -6.030) 6.476 2.962 ( -4.543 0.000 2.969) 5.428 3.016 ( 0.035 0.000 -0.301) 0.303 3.200 ( -1.596 0.000 -1.960) 2.528 3.219 ( 1.999 0.000 -2.456) 3.167 3.488 ( 0.174 0.000 2.321) 2.328 3.726 ( -7.852 0.000 3.199) 8.479 3.771 ( -2.288 0.000 1.410) 2.688 3.798 ( 1.018 0.000 -0.889) 1.352 4.077 ( 3.361 0.000 0.185) 3.366 4.188 ( -1.949 0.000 -1.805) 2.657 4.284 ( 2.108 0.000 -1.841) 2.799 4.423 ( 3.414 0.000 2.118) 4.018 4.623 ( -1.135 0.000 8.005) 8.086 4.797 ( 4.336 0.000 -2.370) 4.942 5.055 ( 0.483 0.000 -2.508) 2.555 5.056 ( -5.295 0.000 -3.100) 6.136 5.123 ( -2.263 0.000 -1.792) 2.887 5.605 ( -0.640 0.000 4.905) 4.946 7.846 ( -2.898 0.000 -2.821) 4.044 8.023 ( -0.422 0.000 0.486) 0.644 8.232 ( -0.874 0.000 -2.854) 2.985 8.370 ( -2.956 0.000 3.637) 4.686 8.652 ( 1.801 0.000 2.327) 2.943 8.799 ( 4.878 0.000 -2.898) 5.674 9.630 ( 0.318 0.000 1.710) 1.740 9.850 ( 3.591 0.000 0.277) 3.602 10.104 ( 0.661 0.000 0.980) 1.182 10.219 ( 2.963 0.000 -0.640) 3.031 12.684 ( 0.672 0.000 -0.004) 0.672 12.762 ( 1.657 0.000 -0.634) 1.774 12.836 ( -2.462 0.000 -0.237) 2.473 13.081 ( 2.244 0.000 -0.855) 2.401 13.267 ( -3.786 0.000 -4.091) 5.574 13.366 ( -5.028 0.000 3.460) 6.104 13.537 ( -2.114 0.000 -3.050) 3.711 13.625 ( -1.941 0.000 4.176) 4.605 13.787 ( 3.017 0.000 -1.618) 3.424 13.837 ( -1.283 0.000 -0.248) 1.307 16.990 ( -0.807 0.000 -1.880) 2.046 17.049 ( -0.948 0.000 1.635) 1.890 22.971 ( -1.555 0.000 -0.316) 1.587 22.987 ( -2.404 0.000 -1.037) 2.618 24.746 ( -0.001 0.000 0.174) 0.174 24.823 ( 0.195 0.000 -0.093) 0.216 26.044 ( 2.019 0.000 -0.993) 2.250 26.175 ( 0.252 0.000 2.017) 2.032 26.204 ( 2.817 0.000 -2.536) 3.790 26.318 ( 2.811 0.000 0.544) 2.864 26.366 ( 1.838 0.000 -2.330) 2.968 26.379 ( 4.003 0.000 2.949) 4.972 26.516 ( -2.040 0.000 0.710) 2.161 26.624 ( -0.804 0.000 0.844) 1.166 27.117 ( -3.359 0.000 -5.860) 6.754 27.239 ( -2.202 0.000 5.474) 5.900======================= Grid point 49 (20/69) =======================q-point: ( 0.44 0.00 -0.80)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.996 ( -1.328 0.000 -3.641) 3.876 1.058 ( -3.252 0.000 -5.957) 6.787 1.099 ( 6.939 0.000 -4.884) 8.485 1.144 ( 1.205 0.000 1.679) 2.067 1.185 ( 0.138 0.000 -3.374) 3.377 1.233 ( -1.711 0.000 5.112) 5.391 1.305 ( 5.584 0.000 -2.860) 6.274 1.365 ( 5.078 0.000 0.765) 5.135 1.392 ( -6.074 0.000 9.045) 10.895 1.469 ( -0.194 0.000 -0.686) 0.713 1.569 ( -6.497 0.000 1.169) 6.601 1.589 ( 1.236 0.000 2.472) 2.764 1.666 ( 3.604 0.000 0.712) 3.673 1.675 ( 0.380 0.000 0.243) 0.451 1.754 ( 0.675 0.000 1.737) 1.864 1.788 ( 0.372 0.000 3.109) 3.131 1.847 ( -1.044 0.000 -1.135) 1.542 1.922 ( 6.468 0.000 2.120) 6.806 1.960 ( -3.996 0.000 0.927) 4.102 2.038 ( -1.492 0.000 -0.269) 1.516 2.055 ( 5.069 0.000 -0.871) 5.143 2.091 ( 5.600 0.000 2.466) 6.119 2.110 ( 1.086 0.000 -1.248) 1.654 2.175 ( 2.902 0.000 -4.425) 5.292 2.246 ( -1.240 0.000 -1.098) 1.656 2.288 ( -5.087 0.000 -1.018) 5.188 2.370 ( -2.272 0.000 -2.315) 3.244 2.414 ( 1.339 0.000 -2.336) 2.693 2.450 ( -0.602 0.000 0.162) 0.623 2.467 ( -0.184 0.000 1.173) 1.187 2.541 ( 0.594 0.000 2.841) 2.903 2.582 ( -5.406 0.000 -0.390) 5.420 2.607 ( 1.610 0.000 0.801) 1.798 2.713 ( 3.114 0.000 -2.158) 3.789 2.791 ( 2.590 0.000 -3.493) 4.348 2.802 ( -1.277 0.000 0.266) 1.305 2.848 ( -9.711 0.000 -3.514) 10.327 3.006 ( 0.045 0.000 -1.025) 1.026 3.169 ( 0.753 0.000 -0.827) 1.118 3.231 ( 2.072 0.000 -2.078) 2.935 3.526 ( -0.302 0.000 3.971) 3.982 3.652 ( -3.112 0.000 0.430) 3.142 3.758 ( -1.260 0.000 1.448) 1.919 3.811 ( 0.714 0.000 0.173) 0.734 4.155 ( 1.057 0.000 5.733) 5.829 4.177 ( 0.734 0.000 1.522) 1.689 4.297 ( 1.906 0.000 -1.426) 2.380 4.445 ( -0.676 0.000 -2.896) 2.973 4.651 ( -5.208 0.000 5.471) 7.553 4.870 ( 4.589 0.000 1.421) 4.804 4.959 ( -0.033 0.000 -1.235) 1.236 5.043 ( 1.404 0.000 -1.944) 2.398 5.117 ( -0.446 0.000 2.074) 2.121 5.590 ( -3.928 0.000 -1.401) 4.171 7.816 ( 0.894 0.000 0.907) 1.273 8.036 ( 0.068 0.000 2.011) 2.012 8.231 ( 1.717 0.000 0.760) 1.878 8.321 ( -3.978 0.000 -2.161) 4.527 8.653 ( -1.522 0.000 -2.417) 2.856 8.798 ( 2.359 0.000 -6.993) 7.380 9.682 ( 0.153 0.000 6.228) 6.230 9.914 ( 1.687 0.000 3.151) 3.574 10.113 ( -0.291 0.000 -0.028) 0.292 10.243 ( 1.311 0.000 -1.208) 1.783 12.674 ( -0.146 0.000 -2.164) 2.169 12.757 ( 0.289 0.000 -2.845) 2.860 12.809 ( -0.757 0.000 0.094) 0.762 13.084 ( 0.380 0.000 -3.886) 3.904 13.233 ( 2.135 0.000 2.207) 3.071 13.341 ( -3.094 0.000 3.292) 4.518 13.519 ( 1.314 0.000 1.143) 1.741 13.623 ( -3.039 0.000 2.303) 3.813 13.816 ( 2.004 0.000 -0.690) 2.119 13.818 ( -0.376 0.000 -0.689) 0.784 16.978 ( 0.842 0.000 -0.312) 0.898 17.040 ( -1.379 0.000 -0.019) 1.379 22.947 ( -0.413 0.000 -1.036) 1.115 22.951 ( -0.628 0.000 -1.151) 1.311 24.750 ( -0.054 0.000 0.394) 0.398 24.820 ( 0.001 0.000 -0.693) 0.693 26.072 ( 2.010 0.000 -0.147) 2.015 26.192 ( -1.482 0.000 2.881) 3.240 26.210 ( 2.028 0.000 -3.077) 3.685 26.350 ( -0.647 0.000 1.609) 1.734 26.382 ( 2.320 0.000 -0.284) 2.337 26.447 ( 1.160 0.000 0.939) 1.493 26.508 ( -1.004 0.000 2.120) 2.345 26.623 ( -0.460 0.000 1.284) 1.364 27.050 ( 2.450 0.000 -3.469) 4.247 27.216 ( -4.760 0.000 -0.805) 4.828======================= Grid point 50 (21/69) =======================q-point: (-0.44 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.858 ( -9.022 0.000 -6.574) 11.163 0.916 ( -3.253 0.000 -3.679) 4.910 1.103 ( -2.086 0.000 -1.744) 2.719 1.139 ( -2.277 0.000 -1.309) 2.626 1.221 ( -5.877 0.000 -6.349) 8.652 1.258 ( 1.713 0.000 0.278) 1.735 1.265 ( 2.917 0.000 2.873) 4.094 1.375 ( -0.832 0.000 2.490) 2.625 1.384 ( -1.077 0.000 3.828) 3.977 1.504 ( -1.490 0.000 2.245) 2.694 1.573 ( -2.636 0.000 1.502) 3.034 1.622 ( 5.354 0.000 0.609) 5.389 1.688 ( 0.803 0.000 0.124) 0.812 1.736 ( 1.774 0.000 0.268) 1.794 1.836 ( -1.538 0.000 5.400) 5.614 1.849 ( 2.428 0.000 4.529) 5.139 1.877 ( 0.409 0.000 0.625) 0.747 1.908 ( 0.228 0.000 4.047) 4.054 1.971 ( -10.158 0.000 0.347) 10.164 2.020 ( 0.186 0.000 -0.585) 0.614 2.020 ( 3.442 0.000 0.270) 3.453 2.123 ( -10.300 0.000 -5.180) 11.529 2.140 ( 3.386 0.000 3.692) 5.010 2.170 ( -4.848 0.000 -2.707) 5.553 2.219 ( 7.853 0.000 -3.016) 8.412 2.246 ( 5.563 0.000 0.792) 5.619 2.335 ( 0.562 0.000 -2.802) 2.858 2.401 ( 1.530 0.000 -4.416) 4.674 2.436 ( 0.704 0.000 -3.018) 3.099 2.444 ( -0.705 0.000 -0.117) 0.714 2.514 ( -1.823 0.000 1.139) 2.150 2.597 ( -4.065 0.000 4.483) 6.052 2.643 ( 1.750 0.000 0.242) 1.767 2.674 ( -2.859 0.000 -4.271) 5.139 2.747 ( 5.550 0.000 -1.538) 5.759 2.790 ( -0.108 0.000 -0.435) 0.448 2.826 ( 6.183 0.000 -2.900) 6.830 2.997 ( 0.522 0.000 -1.482) 1.571 3.180 ( 0.790 0.000 -0.681) 1.043 3.228 ( 0.999 0.000 -2.230) 2.444 3.552 ( -2.010 0.000 3.284) 3.850 3.630 ( -1.148 0.000 0.531) 1.265 3.759 ( -0.719 0.000 0.964) 1.203 3.831 ( 1.815 0.000 0.331) 1.845 4.220 ( -1.052 0.000 5.620) 5.717 4.250 ( 4.144 0.000 4.468) 6.094 4.304 ( 0.751 0.000 -1.505) 1.682 4.364 ( -3.070 0.000 -4.304) 5.287 4.597 ( -8.295 0.000 4.538) 9.455 4.894 ( -1.946 0.000 2.026) 2.809 5.025 ( 3.887 0.000 -0.573) 3.929 5.056 ( 2.525 0.000 -1.338) 2.858 5.211 ( 8.218 0.000 6.520) 10.490 5.472 ( -4.443 0.000 -6.122) 7.565 7.887 ( 4.173 0.000 3.498) 5.445 8.052 ( -0.405 0.000 -0.600) 0.724 8.218 ( -4.157 0.000 -3.127) 5.202 8.300 ( 4.007 0.000 3.551) 5.354 8.567 ( -3.558 0.000 -4.338) 5.610 8.725 ( 0.167 0.000 -8.308) 8.309 9.761 ( -0.943 0.000 7.847) 7.904 9.963 ( -0.831 0.000 3.578) 3.674 10.096 ( -1.304 0.000 -0.449) 1.379 10.232 ( -0.391 0.000 -1.800) 1.841 12.645 ( 0.123 0.000 -2.121) 2.125 12.709 ( -0.570 0.000 -4.539) 4.575 12.823 ( 1.132 0.000 1.560) 1.927 13.032 ( 0.251 0.000 -4.765) 4.772 13.337 ( 4.462 0.000 4.581) 6.395 13.338 ( -1.886 0.000 2.684) 3.280 13.580 ( -4.365 0.000 0.394) 4.382 13.598 ( 4.768 0.000 3.670) 6.016 13.814 ( 1.070 0.000 -1.063) 1.508 13.828 ( 0.574 0.000 -0.845) 1.021 17.005 ( 2.216 0.000 0.804) 2.357 17.007 ( -1.709 0.000 -1.221) 2.101 22.936 ( 0.623 0.000 -1.189) 1.342 22.940 ( 1.047 0.000 -1.546) 1.868 24.753 ( -0.190 0.000 0.612) 0.641 24.809 ( -0.102 0.000 -1.026) 1.031 26.093 ( 0.513 0.000 0.118) 0.527 26.196 ( 1.233 0.000 -3.902) 4.092 26.200 ( -2.419 0.000 3.893) 4.583 26.327 ( -4.413 0.000 1.810) 4.770 26.428 ( 2.556 0.000 1.282) 2.859 26.452 ( 0.308 0.000 -1.426) 1.459 26.523 ( -1.397 0.000 3.833) 4.079 26.644 ( 0.656 0.000 2.051) 2.153 27.077 ( -6.841 0.000 -6.308) 9.305 27.115 ( 7.670 0.000 -0.144) 7.672======================= Grid point 51 (22/69) =======================q-point: (-0.33 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.640 ( -12.249 0.000 -1.988) 12.409 0.796 ( -9.306 0.000 -2.119) 9.545 1.061 ( -3.181 0.000 -5.647) 6.481 1.069 ( -0.424 0.000 -0.329) 0.537 1.074 ( -3.455 0.000 -1.575) 3.797 1.212 ( -5.844 0.000 0.636) 5.879 1.273 ( -4.619 0.000 2.014) 5.039 1.381 ( -2.046 0.000 0.539) 2.116 1.473 ( -2.524 0.000 1.852) 3.131 1.500 ( -2.777 0.000 3.307) 4.319 1.540 ( -2.423 0.000 -3.946) 4.631 1.619 ( -2.452 0.000 0.053) 2.453 1.644 ( -13.744 0.000 -3.932) 14.295 1.752 ( 5.182 0.000 -0.062) 5.183 1.757 ( -1.304 0.000 3.527) 3.761 1.780 ( 0.484 0.000 -3.136) 3.174 1.838 ( -2.870 0.000 2.070) 3.538 1.979 ( -1.310 0.000 1.084) 1.701 1.986 ( -2.473 0.000 0.262) 2.486 2.018 ( -1.825 0.000 -5.214) 5.524 2.037 ( 2.544 0.000 10.625) 10.925 2.100 ( 3.772 0.000 3.373) 5.060 2.103 ( -0.484 0.000 1.401) 1.482 2.219 ( -2.742 0.000 -4.604) 5.359 2.221 ( -0.825 0.000 -0.892) 1.215 2.262 ( 1.953 0.000 1.252) 2.320 2.350 ( 2.964 0.000 -4.028) 5.001 2.390 ( 1.120 0.000 -3.187) 3.378 2.437 ( 1.240 0.000 -1.071) 1.638 2.497 ( 9.208 0.000 1.072) 9.270 2.540 ( -4.934 0.000 1.463) 5.146 2.552 ( 1.258 0.000 5.485) 5.628 2.656 ( 3.906 0.000 -2.185) 4.476 2.665 ( 3.182 0.000 -2.654) 4.143 2.778 ( -0.287 0.000 -0.416) 0.505 2.830 ( 3.837 0.000 -0.092) 3.839 2.899 ( 7.106 0.000 -3.180) 7.785 2.987 ( 0.747 0.000 -1.860) 2.004 3.171 ( -0.208 0.000 -1.278) 1.295 3.223 ( 2.050 0.000 -2.409) 3.163 3.548 ( -2.671 0.000 3.314) 4.257 3.607 ( -2.972 0.000 0.516) 3.016 3.750 ( -1.279 0.000 0.325) 1.320 3.877 ( 3.334 0.000 0.088) 3.335 4.244 ( -2.543 0.000 1.672) 3.043 4.272 ( -2.774 0.000 -2.935) 4.039 4.297 ( 1.127 0.000 0.093) 1.131 4.399 ( 6.706 0.000 5.029) 8.382 4.516 ( -8.391 0.000 5.029) 9.782 4.880 ( -1.909 0.000 0.976) 2.144 5.061 ( 2.073 0.000 0.073) 2.075 5.087 ( 3.059 0.000 -1.055) 3.236 5.344 ( -2.098 0.000 -6.248) 6.591 5.468 ( 12.107 0.000 7.824) 14.415 7.973 ( -2.393 0.000 -8.037) 8.386 7.992 ( 3.335 0.000 2.962) 4.461 8.147 ( -4.171 0.000 0.734) 4.235 8.439 ( 7.342 0.000 4.550) 8.637 8.478 ( -2.703 0.000 -1.230) 2.970 8.639 ( -0.008 0.000 -5.578) 5.578 9.814 ( -3.148 0.000 6.253) 7.001 9.947 ( -4.090 0.000 -0.208) 4.095 10.076 ( -1.726 0.000 1.609) 2.359 10.199 ( -0.816 0.000 -1.631) 1.824 12.636 ( 0.579 0.000 -0.370) 0.688 12.649 ( -0.493 0.000 -3.943) 3.973 12.871 ( 1.859 0.000 2.365) 3.008 12.993 ( 1.626 0.000 -4.602) 4.881 13.334 ( -1.177 0.000 0.359) 1.230 13.444 ( 2.541 0.000 1.847) 3.142 13.512 ( -3.348 0.000 0.856) 3.456 13.721 ( 4.660 0.000 1.567) 4.917 13.818 ( 1.229 0.000 -1.763) 2.149 13.827 ( 1.576 0.000 0.307) 1.606 16.963 ( -1.793 0.000 -1.467) 2.317 17.059 ( 3.045 0.000 1.069) 3.227 22.938 ( 1.128 0.000 -0.934) 1.464 22.945 ( 2.270 0.000 -2.415) 3.314 24.760 ( -0.093 0.000 0.895) 0.900 24.793 ( -0.398 0.000 -1.081) 1.152 26.090 ( -1.151 0.000 0.330) 1.197 26.152 ( -0.931 0.000 -4.207) 4.308 26.202 ( -2.895 0.000 3.461) 4.512 26.280 ( -3.122 0.000 1.102) 3.311 26.426 ( -1.271 0.000 -1.724) 2.142 26.476 ( -0.055 0.000 2.013) 2.013 26.557 ( -0.532 0.000 4.794) 4.823 26.678 ( -0.365 0.000 2.871) 2.894 26.902 ( -2.733 0.000 -8.291) 8.729 27.254 ( 8.333 0.000 1.371) 8.445======================= Grid point 52 (23/69) =======================q-point: (-0.22 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.445 ( -14.810 0.000 6.123) 16.026 0.556 ( -16.400 0.000 -2.578) 16.601 0.949 ( -26.128 0.000 -3.268) 26.331 1.006 ( -2.638 0.000 -0.618) 2.710 1.033 ( 1.793 0.000 0.624) 1.899 1.095 ( 0.968 0.000 0.605) 1.142 1.215 ( -1.348 0.000 3.962) 4.185 1.316 ( -4.380 0.000 1.662) 4.685 1.346 ( -2.666 0.000 1.510) 3.064 1.434 ( -6.207 0.000 -2.068) 6.543 1.468 ( -6.000 0.000 -0.270) 6.006 1.608 ( 1.964 0.000 2.655) 3.302 1.627 ( 0.179 0.000 2.581) 2.587 1.801 ( 4.929 0.000 -0.634) 4.969 1.802 ( -0.381 0.000 -3.161) 3.184 1.829 ( 0.945 0.000 3.294) 3.427 1.839 ( 2.413 0.000 0.489) 2.462 1.914 ( -6.014 0.000 1.853) 6.293 1.935 ( -1.262 0.000 -3.457) 3.680 1.967 ( -2.136 0.000 2.573) 3.344 2.071 ( -2.975 0.000 -3.599) 4.669 2.103 ( 0.195 0.000 -1.311) 1.325 2.136 ( -4.237 0.000 -2.574) 4.958 2.173 ( 1.207 0.000 1.977) 2.316 2.226 ( 2.159 0.000 5.311) 5.733 2.305 ( -0.489 0.000 -4.802) 4.827 2.322 ( 1.227 0.000 3.022) 3.262 2.378 ( 0.752 0.000 -2.273) 2.395 2.436 ( -0.677 0.000 0.784) 1.035 2.508 ( -0.733 0.000 0.757) 1.054 2.570 ( 0.809 0.000 -0.005) 0.809 2.679 ( 4.370 0.000 1.037) 4.492 2.691 ( 3.651 0.000 -3.139) 4.815 2.720 ( 7.176 0.000 -0.663) 7.207 2.791 ( 0.786 0.000 1.535) 1.725 2.851 ( 0.603 0.000 -1.350) 1.478 2.963 ( 3.404 0.000 -3.656) 4.995 2.996 ( 4.136 0.000 0.768) 4.207 3.154 ( -0.107 0.000 -1.078) 1.084 3.238 ( 3.504 0.000 -2.577) 4.350 3.554 ( -4.525 0.000 1.223) 4.687 3.565 ( -1.484 0.000 6.397) 6.567 3.736 ( -1.321 0.000 1.435) 1.951 3.922 ( 2.745 0.000 -1.002) 2.922 4.200 ( -2.510 0.000 -0.688) 2.602 4.209 ( -2.299 0.000 -1.130) 2.562 4.337 ( 0.877 0.000 2.445) 2.598 4.469 ( -4.169 0.000 4.312) 5.998 4.528 ( 5.658 0.000 -2.385) 6.140 4.863 ( -1.600 0.000 1.155) 1.974 5.088 ( 2.575 0.000 -3.099) 4.029 5.124 ( 3.231 0.000 -1.102) 3.414 5.266 ( -0.500 0.000 -4.160) 4.190 5.733 ( 10.312 0.000 6.255) 12.061 7.850 ( -2.237 0.000 -5.121) 5.589 8.041 ( 0.318 0.000 0.667) 0.739 8.080 ( -4.341 0.000 0.256) 4.349 8.458 ( -1.320 0.000 2.060) 2.447 8.588 ( 6.773 0.000 -2.027) 7.069 8.640 ( 3.777 0.000 3.460) 5.122 9.801 ( -4.924 0.000 2.954) 5.743 9.844 ( -5.770 0.000 -3.024) 6.515 10.070 ( -2.309 0.000 2.281) 3.246 10.179 ( 0.061 0.000 -0.650) 0.653 12.610 ( -0.125 0.000 -1.691) 1.695 12.651 ( 0.578 0.000 1.071) 1.217 12.927 ( 1.314 0.000 2.752) 3.049 12.979 ( 2.881 0.000 -3.902) 4.850 13.294 ( -1.349 0.000 -4.764) 4.951 13.407 ( -3.351 0.000 -0.911) 3.472 13.555 ( 1.881 0.000 3.095) 3.622 13.715 ( -0.696 0.000 -4.336) 4.391 13.808 ( 1.102 0.000 -2.941) 3.141 13.932 ( 5.891 0.000 3.716) 6.965 16.925 ( -1.408 0.000 -0.564) 1.517 17.117 ( 2.853 0.000 0.514) 2.899 22.946 ( 1.777 0.000 -3.326) 3.771 22.949 ( 1.094 0.000 -0.190) 1.110 24.771 ( -0.000 0.000 1.041) 1.041 24.773 ( -0.645 0.000 -0.845) 1.063 26.071 ( -1.609 0.000 0.595) 1.715 26.085 ( -1.702 0.000 -3.107) 3.542 26.189 ( -2.800 0.000 2.230) 3.580 26.257 ( -1.179 0.000 0.397) 1.244 26.371 ( -1.563 0.000 -4.595) 4.853 26.421 ( -7.275 0.000 -0.722) 7.311 26.618 ( 0.239 0.000 6.639) 6.644 26.713 ( 0.574 0.000 2.504) 2.569 26.848 ( 4.361 0.000 -3.536) 5.614 27.388 ( 6.185 0.000 1.727) 6.422======================= Grid point 53 (24/69) =======================q-point: (-0.11 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.305 ( -14.635 0.000 7.472) 16.432 0.311 ( -15.419 0.000 7.576) 17.180 0.566 ( -23.890 0.000 18.550) 30.247 0.967 ( -2.660 0.000 1.793) 3.208 1.103 ( 2.146 0.000 2.731) 3.474 1.136 ( 2.540 0.000 0.361) 2.566 1.218 ( -1.823 0.000 -0.541) 1.901 1.295 ( -5.563 0.000 -1.793) 5.845 1.330 ( -1.215 0.000 -0.479) 1.306 1.363 ( 0.421 0.000 2.686) 2.719 1.435 ( 0.740 0.000 2.301) 2.417 1.623 ( -0.458 0.000 -3.559) 3.589 1.684 ( -3.478 0.000 -6.625) 7.482 1.698 ( 0.776 0.000 3.086) 3.182 1.825 ( -0.694 0.000 -1.617) 1.760 1.860 ( -2.124 0.000 0.899) 2.306 1.898 ( -0.269 0.000 -0.263) 0.376 1.926 ( 2.106 0.000 2.816) 3.516 1.934 ( 2.254 0.000 3.994) 4.586 2.022 ( 10.350 0.000 12.536) 16.256 2.029 ( 0.381 0.000 1.402) 1.453 2.068 ( -0.893 0.000 -0.801) 1.199 2.092 ( -0.079 0.000 -0.692) 0.696 2.170 ( -0.848 0.000 -2.372) 2.519 2.243 ( -1.367 0.000 0.492) 1.453 2.294 ( 1.271 0.000 -0.793) 1.498 2.351 ( 0.072 0.000 -2.279) 2.280 2.374 ( 0.689 0.000 2.615) 2.704 2.440 ( -0.804 0.000 1.385) 1.602 2.521 ( -0.046 0.000 1.185) 1.186 2.555 ( 0.293 0.000 -3.767) 3.779 2.716 ( 1.296 0.000 -2.652) 2.952 2.744 ( 3.468 0.000 5.905) 6.848 2.787 ( 1.199 0.000 -2.450) 2.728 2.801 ( 4.218 0.000 -0.726) 4.280 2.858 ( -0.856 0.000 2.704) 2.836 2.956 ( 1.314 0.000 -2.361) 2.702 3.079 ( 3.687 0.000 0.157) 3.690 3.150 ( 0.819 0.000 -0.024) 0.820 3.273 ( 3.494 0.000 -1.410) 3.768 3.507 ( -3.573 0.000 2.148) 4.169 3.665 ( 1.775 0.000 5.527) 5.806 3.820 ( 9.730 0.000 15.148) 18.004 3.946 ( 1.763 0.000 -0.367) 1.800 4.167 ( -1.815 0.000 1.448) 2.322 4.175 ( -1.339 0.000 0.028) 1.340 4.358 ( -0.481 0.000 0.332) 0.584 4.405 ( -9.468 0.000 -22.585) 24.489 4.472 ( -1.525 0.000 2.346) 2.798 4.861 ( -1.395 0.000 2.589) 2.940 5.001 ( -4.532 0.000 -12.706) 13.490 5.169 ( 3.403 0.000 -0.003) 3.403 5.226 ( 0.050 0.000 -2.235) 2.235 5.871 ( 2.305 0.000 -4.408) 4.975 7.809 ( -0.259 0.000 0.666) 0.715 8.037 ( -0.401 0.000 -0.018) 0.401 8.049 ( -2.209 0.000 3.790) 4.386 8.460 ( -1.381 0.000 1.856) 2.313 8.637 ( 2.406 0.000 -1.090) 2.642 8.741 ( 4.407 0.000 -1.027) 4.525 9.729 ( -3.584 0.000 -2.887) 4.602 9.736 ( -4.833 0.000 -1.182) 4.975 10.053 ( -2.334 0.000 1.393) 2.718 10.179 ( 0.464 0.000 -1.377) 1.453 12.614 ( 0.141 0.000 1.488) 1.495 12.668 ( -0.229 0.000 0.911) 0.939 12.963 ( -0.446 0.000 1.222) 1.301 12.992 ( 3.365 0.000 -2.580) 4.240 13.220 ( 1.716 0.000 2.871) 3.345 13.371 ( -1.770 0.000 2.212) 2.833 13.601 ( -0.226 0.000 2.289) 2.300 13.674 ( 0.222 0.000 1.563) 1.579 13.794 ( 2.294 0.000 -3.572) 4.245 14.044 ( 4.689 0.000 -0.045) 4.689 16.910 ( -0.549 0.000 0.926) 1.077 17.153 ( 1.600 0.000 -0.469) 1.668 22.959 ( 3.534 0.000 5.385) 6.441 22.968 ( 0.689 0.000 1.006) 1.219 24.757 ( -0.267 0.000 -0.361) 0.449 24.780 ( -0.331 0.000 0.790) 0.857 26.041 ( -0.183 0.000 -1.465) 1.476 26.061 ( -0.088 0.000 0.297) 0.309 26.159 ( -4.140 0.000 1.353) 4.355 26.219 ( -5.879 0.000 -8.050) 9.968 26.258 ( -2.204 0.000 -1.463) 2.645 26.306 ( -4.231 0.000 -1.053) 4.360 26.712 ( 2.650 0.000 2.373) 3.557 26.714 ( 0.255 0.000 -3.175) 3.185 26.933 ( 3.846 0.000 5.093) 6.381 27.493 ( 4.802 0.000 1.802) 5.129======================= Grid point 54 (25/69) =======================q-point: ( 0.00 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.473 ( -0.465 13.162 7.815) 15.314 0.526 ( -0.833 11.488 11.617) 16.359 0.949 ( -0.810 6.966 7.380) 10.181 0.994 ( -0.469 10.004 7.316) 12.402 1.063 ( -2.635 3.288 -1.059) 4.345 1.137 ( 2.469 -4.514 2.129) 5.568 1.183 ( -0.784 0.901 -3.046) 3.272 1.240 ( -0.368 -2.594 -0.876) 2.763 1.313 ( 0.819 0.103 2.609) 2.736 1.397 ( -1.848 -0.213 4.079) 4.484 1.434 ( 1.320 2.603 4.147) 5.071 1.511 ( -2.610 -1.961 -4.870) 5.863 1.577 ( 1.554 -4.648 -3.468) 6.004 1.675 ( -2.416 -2.077 0.338) 3.204 1.695 ( -0.560 -4.449 -4.324) 6.229 1.764 ( 0.197 -2.290 -0.526) 2.358 1.874 ( -4.061 -4.727 2.928) 6.886 1.892 ( 0.933 -2.806 -1.696) 3.409 1.974 ( 0.202 3.879 0.295) 3.895 1.996 ( -0.160 -2.197 -1.886) 2.899 2.025 ( -0.342 0.474 -0.860) 1.039 2.080 ( 0.836 -1.737 2.076) 2.833 2.111 ( 0.313 -0.105 1.224) 1.268 2.213 ( 0.165 4.518 -1.876) 4.895 2.263 ( 0.076 -0.240 0.002) 0.251 2.307 ( -2.500 1.013 -2.103) 3.420 2.347 ( 0.570 0.175 -1.005) 1.168 2.430 ( -1.378 0.165 2.354) 2.733 2.437 ( 2.745 -3.857 1.278) 4.903 2.459 ( -0.363 -1.011 -0.909) 1.407 2.512 ( 0.434 1.055 1.977) 2.283 2.663 ( 0.361 0.372 -3.303) 3.343 2.743 ( 0.811 -2.663 0.321) 2.802 2.829 ( -1.862 -0.772 0.197) 2.025 2.861 ( 0.293 -1.890 1.698) 2.557 2.893 ( 1.324 -0.552 3.407) 3.696 2.930 ( 1.439 -1.598 -1.784) 2.794 3.081 ( -0.121 -1.967 -1.733) 2.624 3.166 ( 0.849 0.457 -0.355) 1.027 3.247 ( 1.550 -2.807 -0.842) 3.316 3.495 ( -2.233 -1.672 2.730) 3.903 3.519 ( -4.279 -3.591 2.767) 6.234 3.830 ( 1.011 7.495 1.954) 7.811 3.988 ( -0.440 1.874 0.638) 2.027 4.136 ( -0.704 -2.685 -0.039) 2.776 4.183 ( 0.941 -1.535 -1.651) 2.443 4.231 ( 0.207 -4.727 2.656) 5.426 4.325 ( -1.841 -5.801 2.550) 6.599 4.759 ( 2.227 6.955 -5.079) 8.895 4.845 ( -1.801 2.901 -2.604) 4.294 4.942 ( 3.934 1.974 -1.770) 4.744 5.095 ( -1.906 -5.076 0.523) 5.448 5.344 ( 2.164 7.105 1.586) 7.595 5.879 ( -1.440 2.907 -16.178) 16.500 7.871 ( 2.217 1.260 2.567) 3.618 8.016 ( -0.350 -1.844 -0.720) 2.010 8.181 ( -0.437 7.660 7.382) 10.647 8.430 ( -2.036 -1.271 1.246) 2.704 8.590 ( -0.139 -3.330 -1.850) 3.812 8.732 ( 0.017 -1.605 -2.357) 2.851 9.662 ( -0.915 0.183 -2.024) 2.229 9.696 ( 1.552 0.135 -2.012) 2.545 10.052 ( -0.809 1.333 1.177) 1.954 10.143 ( 0.403 -0.681 -0.878) 1.182 12.641 ( 0.663 1.777 0.673) 2.013 12.681 ( -0.026 1.202 0.172) 1.214 12.963 ( -0.942 0.071 1.440) 1.722 13.034 ( 0.919 0.677 0.817) 1.404 13.278 ( -0.104 -2.641 2.965) 3.972 13.448 ( 2.555 2.749 0.229) 3.760 13.559 ( -3.522 -0.935 1.135) 3.817 13.756 ( 3.409 -4.117 -3.997) 6.675 13.908 ( 2.572 2.084 -3.931) 5.139 13.997 ( -2.745 -0.851 -8.460) 8.935 16.989 ( 0.744 4.137 4.010) 5.810 17.182 ( 0.723 0.646 0.591) 1.135 23.009 ( 0.270 2.397 2.251) 3.299 23.191 ( 2.288 0.234 -2.718) 3.560 24.764 ( 0.639 0.068 0.577) 0.863 24.777 ( -0.449 -0.084 0.444) 0.636 26.042 ( 0.580 -1.018 0.675) 1.352 26.057 ( 0.483 -0.951 0.121) 1.073 26.094 ( 2.362 0.753 -0.737) 2.586 26.124 ( -0.269 1.360 -2.637) 2.979 26.258 ( -1.480 1.270 0.373) 1.985 26.312 ( 0.601 1.643 -0.728) 1.895 26.622 ( -0.034 -3.018 -2.770) 4.097 26.645 ( -3.710 -2.424 -1.044) 4.553 27.096 ( 0.765 4.126 6.140) 7.437 27.406 ( -1.210 -5.720 1.703) 6.090======================= Grid point 55 (26/69) =======================q-point: ( 0.11 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.658 ( 4.753 3.849 13.500) 14.821 0.732 ( 9.045 6.688 11.205) 15.878 0.960 ( 2.553 0.349 -5.414) 5.996 1.002 ( 0.326 -1.151 2.197) 2.502 1.123 ( -1.122 4.453 -3.921) 6.039 1.166 ( 2.840 4.839 4.430) 7.149 1.212 ( 2.089 2.249 8.415) 8.957 1.265 ( 3.111 -4.108 1.055) 5.260 1.340 ( 0.392 -2.080 -2.278) 3.110 1.401 ( -3.314 0.424 -1.383) 3.616 1.439 ( 0.852 0.634 4.772) 4.889 1.502 ( 1.614 2.232 -0.046) 2.754 1.583 ( 3.787 -2.171 -0.224) 4.371 1.640 ( -0.220 -4.022 -3.075) 5.068 1.661 ( 1.021 0.917 -1.787) 2.253 1.810 ( 4.728 -1.669 -0.205) 5.018 1.821 ( -1.988 -2.089 -1.392) 3.202 1.903 ( 0.552 0.496 -0.838) 1.120 1.953 ( -2.039 1.598 -0.224) 2.601 2.001 ( 0.867 -3.198 0.100) 3.315 2.018 ( 0.003 -0.641 -0.136) 0.656 2.061 ( -2.263 -0.823 0.121) 2.411 2.113 ( -2.966 -3.094 -0.780) 4.356 2.210 ( 1.952 1.182 2.372) 3.291 2.251 ( -0.256 -2.819 -4.026) 4.921 2.276 ( 2.129 2.773 -1.082) 3.659 2.357 ( -0.066 1.949 0.807) 2.110 2.422 ( 0.914 -0.765 -1.931) 2.269 2.448 ( -1.265 0.139 2.378) 2.697 2.511 ( 3.108 1.423 1.374) 3.684 2.531 ( 0.075 2.941 1.087) 3.136 2.632 ( 0.903 1.611 -2.688) 3.261 2.755 ( -4.987 -2.437 -0.056) 5.551 2.777 ( -2.189 -2.056 1.533) 3.372 2.862 ( -1.068 -4.146 -0.378) 4.298 2.932 ( -0.914 -1.699 3.420) 3.927 2.944 ( 1.372 -0.935 -0.198) 1.672 3.039 ( -1.515 -2.418 -2.538) 3.818 3.176 ( 0.960 -0.578 -0.037) 1.121 3.255 ( 0.632 -2.161 -1.106) 2.509 3.468 ( -2.060 -0.662 1.582) 2.680 3.552 ( 1.732 -1.609 3.191) 3.971 3.868 ( 0.111 6.327 3.029) 7.015 3.985 ( -2.459 0.768 0.065) 2.577 4.099 ( -1.134 -4.230 -2.187) 4.896 4.174 ( 2.210 -4.020 -2.669) 5.307 4.275 ( -0.247 -2.403 4.361) 4.985 4.338 ( 0.175 -4.510 2.682) 5.250 4.655 ( -5.429 10.035 -6.220) 12.995 4.811 ( 2.139 3.988 -3.454) 5.693 5.007 ( 2.312 -1.243 0.969) 2.798 5.076 ( 0.638 -3.371 -1.238) 3.647 5.395 ( -0.704 2.041 4.580) 5.063 5.630 ( -7.211 3.679 -13.029) 15.339 7.950 ( 1.146 -1.710 0.236) 2.072 8.019 ( 3.909 -1.809 0.889) 4.398 8.276 ( -1.294 5.576 9.620) 11.194 8.433 ( 0.179 -2.186 2.337) 3.205 8.559 ( -2.073 0.834 -5.293) 5.746 8.656 ( -1.529 1.023 -1.418) 2.322 9.644 ( 1.321 0.138 -2.552) 2.877 9.724 ( 5.121 -1.384 -2.274) 5.771 10.058 ( -0.345 1.514 1.048) 1.873 10.149 ( 1.704 0.106 -0.635) 1.821 12.662 ( 0.386 1.249 0.554) 1.420 12.689 ( 1.642 1.675 0.190) 2.354 12.949 ( -2.671 0.873 0.991) 2.980 13.054 ( -0.115 0.464 1.261) 1.348 13.333 ( -0.159 -7.021 5.276) 8.784 13.470 ( -1.879 -2.146 -1.627) 3.284 13.500 ( -1.470 1.481 1.539) 2.593 13.745 ( 2.225 -3.763 -7.054) 8.299 13.844 ( -3.882 0.702 -2.478) 4.659 13.888 ( -1.658 2.198 -3.590) 4.524 17.040 ( -0.697 4.058 4.483) 6.087 17.160 ( -2.429 2.950 -1.549) 4.123 23.030 ( -1.086 2.269 2.262) 3.383 23.144 ( -3.370 0.573 -1.899) 3.910 24.765 ( -0.786 0.287 0.001) 0.837 24.789 ( 0.825 -0.115 0.869) 1.204 26.056 ( 1.506 -1.528 0.725) 2.264 26.068 ( -0.705 0.849 -1.109) 1.564 26.148 ( 6.434 -0.330 0.880) 6.502 26.163 ( 6.552 1.097 -3.783) 7.645 26.248 ( 0.289 0.183 -0.132) 0.367 26.332 ( 1.725 0.614 0.121) 1.835 26.579 ( -2.057 -2.027 -1.117) 3.096 26.612 ( 0.735 -1.231 -0.503) 1.519 27.153 ( -3.310 2.031 7.231) 8.208 27.348 ( -5.032 -3.953 -2.402) 6.835======================= Grid point 56 (27/69) =======================q-point: ( 0.22 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.874 ( 4.121 0.436 11.267) 12.004 0.972 ( 7.910 1.089 -2.242) 8.293 1.001 ( 6.640 4.314 5.622) 9.712 1.062 ( 3.093 -0.914 2.437) 4.043 1.075 ( 2.979 5.910 -4.043) 7.755 1.210 ( -0.417 0.293 0.691) 0.859 1.270 ( -0.481 -4.072 -3.120) 5.152 1.324 ( 1.389 0.259 3.464) 3.741 1.377 ( 4.068 -0.571 3.423) 5.347 1.408 ( 2.738 -1.088 0.532) 2.994 1.486 ( 0.929 0.114 0.681) 1.158 1.532 ( 4.382 -2.813 0.779) 5.265 1.605 ( -0.635 -1.831 -0.495) 2.000 1.637 ( 1.318 -0.473 -3.913) 4.156 1.701 ( 8.418 3.608 -0.366) 9.166 1.778 ( -3.142 -0.762 -1.121) 3.422 1.858 ( -0.365 3.756 -3.257) 4.985 1.881 ( 3.677 -0.501 -0.688) 3.774 1.953 ( -0.129 0.884 1.808) 2.017 1.989 ( -3.060 0.851 0.898) 3.300 2.013 ( -0.089 -4.889 -0.650) 4.933 2.047 ( -1.216 -2.755 0.104) 3.014 2.087 ( -0.785 -0.053 4.566) 4.633 2.222 ( 1.652 -4.209 -1.694) 4.828 2.269 ( 2.495 -0.921 -0.567) 2.720 2.307 ( -0.152 3.489 -1.589) 3.837 2.314 ( 1.259 4.429 -2.742) 5.358 2.435 ( -2.262 -5.132 1.314) 5.761 2.453 ( 0.907 0.949 0.581) 1.436 2.531 ( -0.789 4.261 0.221) 4.339 2.556 ( -0.269 -0.856 1.043) 1.376 2.627 ( -5.059 -0.599 -2.066) 5.497 2.661 ( 1.485 3.942 1.637) 4.519 2.752 ( -3.504 -4.397 1.616) 5.850 2.833 ( -1.828 -0.534 -1.049) 2.174 2.915 ( -4.443 -1.582 -0.449) 4.737 2.962 ( 1.233 -1.031 0.391) 1.654 3.010 ( 0.038 -1.084 0.169) 1.098 3.194 ( 1.468 -0.662 -0.474) 1.678 3.244 ( -0.151 -1.099 -0.927) 1.445 3.468 ( -0.009 0.409 0.660) 0.776 3.616 ( 1.020 -3.254 3.342) 4.774 3.878 ( -2.590 2.070 -2.000) 3.872 3.922 ( -2.925 3.696 3.398) 5.810 4.086 ( 1.381 0.742 -2.151) 2.662 4.189 ( 2.308 -4.015 -1.048) 4.748 4.314 ( -0.055 -3.930 1.953) 4.389 4.352 ( -3.426 -1.139 0.140) 3.613 4.549 ( 0.261 8.199 0.681) 8.231 4.810 ( 1.837 2.729 -2.583) 4.183 5.018 ( -0.570 -2.824 0.035) 2.881 5.088 ( 1.135 -1.844 -0.868) 2.333 5.319 ( -9.093 1.483 -7.316) 11.765 5.488 ( -0.928 -2.108 3.357) 4.071 7.933 ( 0.206 0.592 -2.279) 2.363 8.098 ( 2.351 2.942 0.675) 3.826 8.325 ( -4.318 0.913 3.660) 5.734 8.407 ( -4.417 4.537 -2.655) 6.866 8.500 ( 2.583 -3.699 3.468) 5.690 8.700 ( 4.227 -1.955 1.249) 4.822 9.638 ( 1.530 1.077 -2.022) 2.755 9.791 ( 5.641 -0.928 -1.505) 5.911 10.065 ( 0.149 0.122 0.720) 0.745 10.178 ( 2.273 -0.209 -0.267) 2.298 12.674 ( 0.802 1.142 0.615) 1.525 12.730 ( 2.303 0.497 0.508) 2.410 12.905 ( -3.511 1.530 0.104) 3.831 13.057 ( -0.792 -0.702 0.705) 1.272 13.354 ( -2.161 -3.388 -0.940) 4.127 13.385 ( -3.156 -1.661 0.951) 3.691 13.569 ( 1.081 0.154 6.765) 6.852 13.653 ( -1.482 0.351 -8.422) 8.558 13.782 ( -0.911 -0.144 -2.833) 2.979 13.833 ( -2.385 -1.657 -0.484) 2.944 17.066 ( -1.603 2.811 3.129) 4.501 17.088 ( -3.041 3.317 -2.615) 5.204 23.025 ( -2.017 2.287 1.050) 3.225 23.070 ( -3.541 1.487 -1.021) 3.974 24.754 ( -0.421 0.516 -0.074) 0.670 24.808 ( 0.483 -0.524 0.528) 0.887 26.050 ( 0.592 0.997 -1.609) 1.983 26.093 ( 1.540 -2.220 1.053) 2.899 26.215 ( 4.938 2.485 -2.942) 6.262 26.246 ( 2.844 -1.063 0.144) 3.040 26.284 ( 5.654 -0.708 0.149) 5.700 26.361 ( 2.051 0.695 0.476) 2.218 26.550 ( -0.187 -0.399 -0.742) 0.863 26.638 ( 1.502 0.852 1.011) 2.001 27.169 ( -4.649 -1.396 7.160) 8.650 27.214 ( -6.453 -3.407 -4.560) 8.604======================= Grid point 57 (28/69) =======================q-point: ( 0.33 0.20 -0.80)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.009 ( 3.081 0.986 -1.219) 3.457 1.040 ( 1.891 -0.400 3.115) 3.666 1.081 ( 4.632 0.797 0.733) 4.757 1.132 ( 3.425 0.429 -3.731) 5.083 1.169 ( 5.266 1.590 -1.290) 5.650 1.222 ( 3.885 2.778 4.593) 6.626 1.250 ( -0.174 -0.718 -3.605) 3.679 1.350 ( -0.603 2.729 2.349) 3.651 1.430 ( 0.111 1.185 2.073) 2.390 1.484 ( 4.897 1.437 2.201) 5.558 1.501 ( 1.420 1.745 -1.753) 2.852 1.579 ( 1.063 -5.048 0.652) 5.199 1.643 ( 0.830 -2.149 1.818) 2.934 1.649 ( -0.478 -3.198 1.886) 3.743 1.730 ( 2.391 1.386 -0.248) 2.775 1.807 ( 4.804 2.203 -1.810) 5.587 1.821 ( -1.234 1.341 -1.346) 2.265 1.887 ( -2.875 -1.863 -2.284) 4.118 1.948 ( 0.400 0.320 1.595) 1.675 1.986 ( 2.525 -2.269 0.932) 3.520 2.015 ( 0.137 1.058 1.628) 1.946 2.040 ( 0.924 -0.208 -1.892) 2.116 2.128 ( 0.969 0.314 0.561) 1.163 2.197 ( -4.092 1.993 -3.229) 5.580 2.257 ( 1.444 -2.122 0.038) 2.567 2.295 ( 1.566 -2.274 -1.308) 3.055 2.365 ( 1.589 0.414 1.644) 2.324 2.406 ( -0.934 -4.893 0.638) 5.022 2.451 ( -1.263 -0.252 -0.230) 1.308 2.504 ( -1.768 -0.200 -1.022) 2.052 2.515 ( -1.918 3.721 -0.837) 4.269 2.578 ( -2.113 -0.596 1.110) 2.459 2.696 ( -4.069 1.189 1.662) 4.554 2.729 ( 2.257 -0.225 -1.469) 2.702 2.785 ( -1.952 2.143 -0.788) 3.003 2.847 ( -2.062 -0.041 -0.136) 2.067 2.973 ( -0.145 -0.341 0.031) 0.372 3.014 ( -1.155 -0.797 0.515) 1.495 3.200 ( 1.126 1.003 -2.487) 2.909 3.236 ( 0.324 1.103 -0.503) 1.255 3.479 ( 0.412 -0.192 0.941) 1.045 3.647 ( -0.915 -3.216 1.765) 3.781 3.815 ( -0.736 2.467 -1.704) 3.087 3.930 ( -3.800 5.785 3.938) 7.963 4.089 ( 2.158 1.702 -1.118) 2.967 4.203 ( -0.449 -0.599 -0.514) 0.908 4.248 ( -0.786 -0.941 -2.865) 3.117 4.359 ( -0.198 -5.436 2.346) 5.924 4.648 ( 3.652 1.982 6.616) 7.812 4.804 ( 1.551 0.543 -3.110) 3.517 4.995 ( -2.718 -2.186 -1.133) 3.668 5.059 ( -2.689 -4.311 -1.858) 5.411 5.147 ( -2.855 5.112 -1.682) 6.092 5.524 ( -1.625 -6.556 4.048) 7.875 7.902 ( -0.939 4.835 -2.266) 5.421 8.114 ( 0.515 6.054 -0.306) 6.084 8.253 ( -1.230 2.046 -2.961) 3.804 8.372 ( -4.011 0.888 3.443) 5.360 8.580 ( 1.908 -5.885 2.569) 6.699 8.768 ( 3.857 -3.049 -1.634) 5.181 9.653 ( 1.080 2.227 1.266) 2.780 9.858 ( 4.040 0.094 -0.085) 4.042 10.079 ( 0.445 -1.398 0.736) 1.642 10.206 ( 1.811 -1.402 -0.631) 2.376 12.694 ( 0.787 0.989 -0.072) 1.265 12.762 ( 1.627 -0.092 -0.448) 1.690 12.851 ( -2.917 1.468 -0.144) 3.269 13.050 ( -0.284 -2.741 -0.325) 2.774 13.299 ( -0.982 2.652 -1.643) 3.270 13.375 ( -2.282 1.303 2.408) 3.564 13.540 ( -1.493 0.253 -5.308) 5.520 13.637 ( -2.630 1.076 4.811) 5.587 13.756 ( 2.115 -2.996 -2.507) 4.442 13.804 ( -1.589 -2.917 1.545) 3.664 17.021 ( -1.541 2.533 -2.251) 3.722 17.064 ( -1.666 1.181 1.170) 2.354 22.997 ( -1.591 2.144 -0.517) 2.720 23.014 ( -2.405 2.078 -0.673) 3.249 24.751 ( -0.040 0.464 0.103) 0.477 24.815 ( 0.099 -0.763 -0.100) 0.776 26.052 ( 1.545 0.607 -0.802) 1.844 26.123 ( 0.220 -2.973 1.585) 3.376 26.238 ( 1.238 1.571 -1.067) 2.267 26.291 ( 5.128 -0.330 -2.925) 5.913 26.344 ( 0.672 -1.213 1.456) 2.011 26.436 ( 4.546 2.959 2.027) 5.791 26.555 ( 1.634 2.426 -0.521) 2.971 26.663 ( -0.537 3.037 1.868) 3.606 27.060 ( -4.830 -4.388 -5.488) 8.527 27.176 ( -3.796 -5.300 4.788) 8.088======================= Grid point 58 (29/69) =======================q-point: ( 0.44 0.20 -0.80)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.000 ( 0.821 1.045 -4.159) 4.366 1.059 ( -1.554 -0.830 -3.286) 3.729 1.114 ( -1.492 1.310 -0.892) 2.176 1.127 ( 1.901 0.969 -5.678) 6.065 1.175 ( 0.274 -3.123 3.116) 4.420 1.241 ( 3.844 1.828 -2.462) 4.917 1.315 ( 3.026 0.703 -3.533) 4.705 1.397 ( 0.273 1.997 0.769) 2.158 1.447 ( 1.392 1.622 3.061) 3.733 1.483 ( -0.749 2.228 2.034) 3.108 1.562 ( -7.012 0.445 1.373) 7.159 1.609 ( 3.388 1.243 2.911) 4.637 1.670 ( 4.931 -1.794 2.680) 5.892 1.684 ( -0.328 -0.674 3.182) 3.269 1.731 ( -1.248 2.422 -1.924) 3.336 1.772 ( -3.509 -0.890 0.656) 3.679 1.829 ( 2.680 0.433 2.358) 3.595 1.914 ( 2.849 -1.152 1.094) 3.262 1.944 ( -1.523 -0.758 0.767) 1.866 2.002 ( 0.219 -2.143 0.476) 2.206 2.069 ( 6.387 -2.198 0.463) 6.771 2.091 ( -1.733 -0.840 -0.636) 2.028 2.123 ( 2.983 3.418 0.149) 4.539 2.169 ( 1.951 -0.659 -1.052) 2.313 2.223 ( -2.883 0.083 -2.225) 3.642 2.275 ( 0.298 -3.926 -1.662) 4.274 2.386 ( -2.054 -0.094 -0.277) 2.075 2.390 ( -1.937 -2.340 -1.130) 3.241 2.431 ( -0.106 -0.402 -0.455) 0.616 2.493 ( -0.185 -1.585 1.895) 2.478 2.516 ( 0.821 1.114 -1.405) 1.972 2.558 ( 0.253 1.844 1.068) 2.146 2.620 ( -3.420 -1.665 -0.006) 3.804 2.735 ( -0.729 1.925 -1.178) 2.372 2.774 ( 1.893 3.614 -1.785) 4.453 2.822 ( -2.502 0.239 -0.567) 2.577 2.938 ( -3.195 3.715 -2.854) 5.671 2.990 ( 0.803 -1.581 -1.016) 2.044 3.186 ( 1.604 1.669 -2.311) 3.271 3.242 ( 0.656 1.728 -0.677) 1.969 3.504 ( 0.228 -1.400 2.193) 2.612 3.640 ( -1.008 -1.038 0.281) 1.474 3.814 ( 1.271 2.370 0.024) 2.689 3.886 ( -3.886 6.029 0.294) 7.179 4.123 ( 0.964 -1.121 1.319) 1.982 4.216 ( 1.071 1.717 4.356) 4.803 4.246 ( 1.797 -3.708 -1.572) 4.410 4.356 ( -1.811 -6.303 -0.290) 6.564 4.709 ( -4.330 2.929 1.671) 5.488 4.852 ( 8.020 -3.464 1.498) 8.864 4.928 ( -3.927 0.173 1.618) 4.251 5.037 ( 1.251 -2.082 -0.501) 2.480 5.133 ( -0.571 3.650 1.920) 4.164 5.509 ( -3.388 -6.533 0.116) 7.360 7.879 ( 1.059 5.156 -0.740) 5.315 8.111 ( 0.111 3.465 -2.174) 4.092 8.219 ( -0.445 2.112 -1.352) 2.547 8.359 ( -1.809 2.692 3.077) 4.471 8.598 ( -1.170 -4.470 -0.514) 4.649 8.772 ( 1.664 -2.730 -5.169) 6.078 9.702 ( 0.415 2.026 4.900) 5.319 9.916 ( 1.899 -0.259 1.823) 2.645 10.088 ( -0.232 -1.616 0.358) 1.672 10.217 ( 0.919 -2.280 -1.185) 2.729 12.687 ( 0.047 1.374 -2.045) 2.464 12.765 ( 0.328 0.446 -1.917) 1.995 12.822 ( -0.960 1.368 0.676) 1.803 13.039 ( -0.141 -3.902 -1.360) 4.135 13.283 ( 0.449 4.508 -0.400) 4.548 13.369 ( -1.206 2.604 1.899) 3.441 13.521 ( 2.699 -0.283 0.204) 2.721 13.598 ( -4.130 -2.187 -0.805) 4.742 13.772 ( 1.173 -2.086 0.480) 2.441 13.830 ( 0.168 -0.772 3.613) 3.699 16.994 ( 0.529 1.413 -1.117) 1.877 17.044 ( -1.243 0.325 -0.415) 1.350 22.971 ( -0.399 2.010 -1.190) 2.370 22.979 ( -0.769 2.155 -1.028) 2.508 24.753 ( -0.042 0.343 0.280) 0.445 24.811 ( -0.018 -0.784 -0.609) 0.993 26.076 ( 1.464 0.425 0.388) 1.573 26.138 ( -0.990 -3.172 2.224) 3.998 26.245 ( 1.371 0.620 -0.857) 1.732 26.323 ( 3.097 0.943 -3.135) 4.506 26.363 ( -1.079 -0.395 2.514) 2.764 26.498 ( 0.391 1.292 1.363) 1.919 26.593 ( 2.860 6.569 0.963) 7.230 26.665 ( -2.292 4.059 1.806) 4.999 26.976 ( 2.109 -6.381 -3.424) 7.542 27.135 ( -5.126 -6.943 -0.523) 8.647======================= Grid point 59 (30/69) =======================q-point: (-0.44 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.904 ( -6.476 3.779 -8.036) 10.991 0.946 ( -1.494 2.798 -4.280) 5.327 1.080 ( -1.753 -1.542 0.387) 2.367 1.128 ( -0.031 0.393 -0.607) 0.723 1.176 ( -3.498 -2.722 -2.120) 4.913 1.269 ( -2.245 0.061 -0.403) 2.281 1.290 ( 4.292 -0.659 -1.709) 4.667 1.400 ( 2.195 1.254 -0.243) 2.539 1.421 ( -5.361 4.637 1.623) 7.272 1.459 ( -5.259 -2.108 1.438) 5.845 1.577 ( 0.340 -1.040 1.191) 1.618 1.618 ( 0.105 -1.880 0.529) 1.956 1.678 ( -2.326 -0.965 -1.559) 2.962 1.711 ( 1.183 -1.203 -1.508) 2.263 1.791 ( 3.150 -2.037 2.200) 4.349 1.815 ( 2.062 -1.185 9.497) 9.791 1.896 ( -2.521 0.074 2.305) 3.417 1.908 ( 0.521 -0.845 -0.328) 1.046 1.964 ( -1.789 -0.560 2.021) 2.757 2.014 ( -4.213 2.551 0.146) 4.928 2.040 ( -0.627 -0.185 3.419) 3.481 2.101 ( -4.233 -1.938 -3.607) 5.889 2.144 ( 3.032 0.534 2.575) 4.014 2.196 ( 6.430 -1.909 -2.121) 7.034 2.238 ( -0.932 4.141 0.000) 4.245 2.266 ( -1.985 2.594 -1.537) 3.610 2.332 ( 4.640 -5.092 -2.188) 7.228 2.357 ( 1.224 1.705 -2.340) 3.143 2.433 ( 0.767 -1.336 -0.621) 1.661 2.475 ( -0.441 -1.532 -1.668) 2.307 2.516 ( -1.635 2.937 1.171) 3.559 2.547 ( -2.174 -0.384 1.842) 2.875 2.667 ( 5.497 -2.148 -0.166) 5.904 2.682 ( -2.730 1.930 -2.266) 4.039 2.744 ( -3.417 0.289 -1.251) 3.650 2.795 ( 3.383 3.174 -1.005) 4.746 2.903 ( 2.910 3.391 -3.342) 5.580 2.994 ( 0.688 -0.463 -1.327) 1.564 3.194 ( 1.039 1.262 -1.124) 1.984 3.228 ( -0.160 0.510 -1.779) 1.857 3.528 ( -0.861 -1.803 2.507) 3.205 3.622 ( -1.450 -1.241 -0.400) 1.950 3.835 ( -0.634 5.167 -0.637) 5.244 3.848 ( 1.004 1.446 0.705) 1.896 4.157 ( 0.660 -2.503 2.790) 3.806 4.244 ( 0.735 -4.383 -2.523) 5.110 4.288 ( -0.544 -2.514 2.044) 3.285 4.318 ( -0.498 -1.603 0.805) 1.862 4.647 ( -5.308 4.235 3.446) 7.615 4.904 ( -2.601 0.633 2.276) 3.514 4.963 ( 3.380 -2.810 -1.102) 4.532 5.113 ( 7.746 -0.340 -0.371) 7.762 5.179 ( 0.710 1.122 7.435) 7.552 5.444 ( -1.526 -2.354 -1.953) 3.418 7.918 ( 3.282 1.923 0.341) 3.819 8.056 ( 0.111 -2.020 -6.810) 7.104 8.212 ( -1.471 4.546 2.382) 5.339 8.384 ( 0.820 4.217 2.162) 4.809 8.548 ( -2.911 -0.624 -1.060) 3.160 8.714 ( -0.339 -1.490 -5.846) 6.042 9.767 ( -0.818 0.770 6.368) 6.466 9.948 ( -1.004 -1.788 1.791) 2.723 10.083 ( -0.890 -0.607 0.513) 1.193 10.207 ( -0.085 -2.175 -1.682) 2.750 12.663 ( -0.001 1.785 -1.669) 2.443 12.730 ( -0.477 1.438 -3.438) 3.757 12.836 ( 0.957 1.358 1.529) 2.257 13.009 ( -0.334 -2.263 -2.794) 3.611 13.322 ( 2.565 -0.367 2.755) 3.782 13.377 ( -0.529 3.013 1.632) 3.467 13.509 ( -3.981 -4.964 -2.832) 6.965 13.603 ( 5.830 -0.407 0.869) 5.909 13.809 ( 0.855 0.314 2.960) 3.097 13.865 ( -0.137 1.718 2.227) 2.816 16.998 ( 0.192 0.212 -1.131) 1.167 17.027 ( 1.120 0.771 -0.672) 1.517 22.958 ( 0.629 1.953 -1.364) 2.464 22.968 ( 1.168 2.112 -1.412) 2.796 24.756 ( -0.139 0.247 0.464) 0.544 24.801 ( -0.084 -0.660 -0.905) 1.123 26.097 ( 0.029 0.707 0.858) 1.112 26.143 ( -1.773 -2.512 2.283) 3.829 26.258 ( 1.860 1.803 -2.001) 3.273 26.323 ( 0.620 -1.850 -1.144) 2.262 26.362 ( -2.714 1.511 2.162) 3.785 26.501 ( -3.001 0.212 3.519) 4.630 26.599 ( -1.747 4.868 -0.995) 5.267 26.691 ( 3.229 4.774 2.087) 6.129 26.999 ( -5.864 -7.012 -5.451) 10.643 27.051 ( 6.866 -5.268 0.213) 8.657======================= Grid point 60 (31/69) =======================q-point: (-0.33 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.709 ( -9.171 5.462 -3.851) 11.348 0.851 ( -6.300 5.494 -3.455) 9.045 1.039 ( -4.024 -1.037 -5.395) 6.810 1.057 ( -2.371 0.461 0.393) 2.447 1.117 ( -0.933 0.842 0.408) 1.321 1.217 ( -4.132 -1.072 0.044) 4.269 1.320 ( -4.736 0.401 -1.405) 4.956 1.337 ( -0.237 0.672 1.574) 1.727 1.443 ( -3.568 -4.478 3.574) 6.749 1.467 ( 0.800 -1.021 1.899) 2.300 1.510 ( -3.488 -1.415 1.307) 3.985 1.619 ( -2.707 1.194 -1.235) 3.206 1.646 ( -1.773 -5.486 -1.312) 5.913 1.723 ( -2.612 1.644 -3.352) 4.556 1.761 ( -6.487 0.242 -0.714) 6.531 1.796 ( -1.813 1.991 1.478) 3.072 1.854 ( 0.884 2.302 1.261) 2.770 1.971 ( 0.226 -0.114 0.047) 0.258 1.973 ( -2.582 -3.093 -2.786) 4.898 2.004 ( 1.671 -0.461 3.458) 3.868 2.054 ( -1.070 -0.945 2.568) 2.938 2.067 ( 1.317 1.743 7.351) 7.669 2.129 ( -4.667 1.576 2.845) 5.689 2.214 ( 0.643 -2.193 -3.975) 4.585 2.216 ( -1.569 -0.275 -3.582) 3.920 2.276 ( 4.190 1.702 0.319) 4.533 2.363 ( 2.029 1.156 -3.492) 4.201 2.384 ( 0.136 -1.099 -1.965) 2.255 2.441 ( 3.474 -0.300 -1.311) 3.725 2.489 ( -0.170 -3.330 1.616) 3.706 2.524 ( 1.887 1.610 -0.118) 2.483 2.577 ( 4.111 2.508 4.159) 6.363 2.644 ( 0.536 0.413 0.011) 0.677 2.702 ( 0.820 1.516 -0.427) 1.775 2.740 ( 2.208 -2.359 -0.370) 3.252 2.839 ( 2.945 0.543 -1.704) 3.445 2.922 ( 4.195 1.182 -2.716) 5.135 2.978 ( 0.103 -0.563 -2.100) 2.176 3.173 ( -0.741 0.319 -1.672) 1.857 3.226 ( 1.557 0.167 -1.296) 2.033 3.532 ( -2.270 -1.656 2.681) 3.883 3.585 ( -2.639 -2.107 -0.134) 3.379 3.820 ( 0.183 5.444 -0.859) 5.514 3.890 ( 2.450 1.327 0.659) 2.863 4.187 ( -0.558 -3.102 -0.527) 3.196 4.216 ( -1.132 -4.702 1.474) 5.056 4.260 ( -1.614 -3.269 -0.660) 3.705 4.339 ( -0.395 -4.138 0.456) 4.182 4.654 ( -0.406 9.019 5.620) 10.634 4.888 ( -2.247 0.864 1.581) 2.880 4.979 ( 1.896 -3.822 -2.013) 4.718 5.197 ( 5.356 5.337 -1.228) 7.660 5.227 ( -2.791 -5.224 0.275) 5.929 5.540 ( 10.498 2.259 6.406) 12.504 7.935 ( -0.167 -2.323 -4.354) 4.938 7.998 ( 2.052 -1.248 -3.935) 4.610 8.211 ( -3.060 5.869 2.802) 7.187 8.415 ( 1.245 -0.393 -0.334) 1.347 8.533 ( 0.942 3.760 2.813) 4.789 8.649 ( -0.758 0.118 -3.183) 3.274 9.806 ( -2.994 -0.395 5.055) 5.889 9.917 ( -3.813 -2.607 -0.332) 4.631 10.078 ( -1.268 0.331 1.493) 1.987 10.181 ( -0.507 -1.660 -1.793) 2.495 12.655 ( 0.144 1.985 -0.319) 2.016 12.685 ( -0.091 2.391 -2.912) 3.769 12.878 ( 1.516 0.792 2.036) 2.659 12.980 ( 0.943 -1.157 -2.740) 3.120 13.342 ( -2.298 -0.338 -1.266) 2.645 13.430 ( -1.528 -3.737 -0.573) 4.078 13.439 ( 3.516 -0.199 3.368) 4.873 13.695 ( 6.015 -3.319 -1.761) 7.092 13.841 ( -0.649 3.122 0.659) 3.256 13.901 ( 2.065 3.670 3.215) 5.298 16.969 ( -0.903 0.840 -1.828) 2.205 17.063 ( 3.232 -0.087 -0.358) 3.253 22.957 ( 1.186 1.995 -1.348) 2.684 22.983 ( 2.995 2.554 -1.548) 4.230 24.760 ( -0.064 0.104 0.686) 0.696 24.787 ( -0.353 -0.475 -0.994) 1.157 26.093 ( -1.602 0.823 0.561) 1.887 26.125 ( -2.425 -1.072 0.261) 2.664 26.250 ( -0.272 2.549 -1.311) 2.879 26.316 ( -2.572 -0.931 1.296) 3.027 26.333 ( -0.985 -0.948 -1.182) 1.807 26.492 ( -3.989 0.300 4.566) 6.071 26.591 ( 0.188 0.175 1.924) 1.941 26.735 ( -4.279 4.444 2.754) 6.757 26.855 ( 2.630 -2.992 -8.480) 9.369 27.184 ( 7.423 -5.686 1.400) 9.455======================= Grid point 61 (32/69) =======================q-point: (-0.22 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.554 ( -9.382 8.564 3.606) 13.205 0.655 ( -11.984 9.268 -2.356) 15.332 0.988 ( 0.563 -1.000 0.167) 1.159 1.024 ( -3.650 1.491 1.857) 4.358 1.113 ( -1.253 -0.482 0.449) 1.415 1.165 ( -4.213 4.020 0.024) 5.823 1.216 ( -9.560 8.945 -1.783) 13.213 1.288 ( -4.137 -0.169 2.528) 4.851 1.356 ( -3.219 -1.078 -0.824) 3.493 1.432 ( -6.586 1.666 1.127) 6.886 1.479 ( -6.783 1.315 -2.660) 7.404 1.549 ( 1.293 -5.593 1.779) 6.010 1.606 ( 0.894 -0.676 2.875) 3.085 1.706 ( -0.863 -4.259 2.515) 5.021 1.765 ( 1.213 -3.503 0.865) 3.807 1.811 ( 0.055 -1.202 0.735) 1.410 1.873 ( 0.037 -0.437 -4.074) 4.098 1.899 ( -2.025 0.794 -1.124) 2.449 1.954 ( -1.279 1.935 1.937) 3.022 2.001 ( -0.512 2.418 1.124) 2.715 2.067 ( -2.239 -3.496 0.376) 4.168 2.104 ( -1.638 1.861 -1.521) 2.909 2.113 ( -0.853 -0.554 -3.100) 3.263 2.178 ( 1.046 0.202 0.367) 1.127 2.248 ( 3.486 0.725 4.826) 5.998 2.301 ( -1.435 -0.454 -1.365) 2.032 2.337 ( 1.650 0.006 -1.657) 2.338 2.380 ( 1.098 0.554 0.359) 1.282 2.472 ( 1.008 0.123 -0.378) 1.083 2.476 ( -1.114 -2.534 -0.321) 2.786 2.527 ( -1.780 0.425 -1.061) 2.116 2.665 ( 3.342 -0.483 0.731) 3.455 2.714 ( 4.285 -0.458 -0.378) 4.325 2.738 ( 2.107 1.729 0.778) 2.835 2.773 ( 1.686 -2.411 4.366) 5.265 2.834 ( 2.177 0.273 -5.029) 5.487 2.956 ( 0.374 -1.499 -2.201) 2.689 2.988 ( 5.081 0.279 0.984) 5.183 3.151 ( 0.554 0.161 -1.749) 1.841 3.233 ( 1.316 -0.679 -1.479) 2.093 3.523 ( -2.720 -2.410 2.129) 4.212 3.551 ( -3.038 -1.889 3.196) 4.797 3.813 ( 0.142 6.662 -1.045) 6.745 3.931 ( 2.000 1.884 0.626) 2.818 4.162 ( -0.147 -2.171 -1.202) 2.486 4.200 ( -3.793 -2.634 1.620) 4.894 4.251 ( 0.741 -5.216 -0.732) 5.319 4.327 ( -1.796 -6.824 1.507) 7.215 4.724 ( 3.075 8.771 0.838) 9.332 4.874 ( -1.882 1.288 1.724) 2.859 4.982 ( 2.052 -4.624 -2.960) 5.861 5.169 ( -2.459 -5.593 -1.541) 6.301 5.260 ( 3.811 8.657 -0.669) 9.482 5.801 ( 13.190 1.040 3.600) 13.712 7.866 ( -0.657 1.325 -3.855) 4.129 7.998 ( 0.506 -2.868 -0.258) 2.924 8.179 ( -3.517 7.550 1.523) 8.467 8.438 ( 0.090 -0.727 2.815) 2.909 8.594 ( 3.134 -0.296 -1.494) 3.484 8.639 ( 1.715 -0.814 1.260) 2.279 9.782 ( -4.946 -0.945 1.919) 5.389 9.834 ( -4.727 -1.079 -1.907) 5.210 10.072 ( -1.851 0.281 1.650) 2.495 10.158 ( -0.089 -1.681 -1.215) 2.076 12.639 ( -0.217 2.477 -1.435) 2.871 12.681 ( 0.421 1.948 0.522) 2.060 12.921 ( 0.930 -0.327 1.811) 2.062 12.982 ( 2.178 -0.253 -1.235) 2.516 13.283 ( -1.697 0.436 -1.337) 2.205 13.401 ( -0.268 1.426 -1.705) 2.238 13.543 ( 2.491 -1.166 3.829) 4.715 13.742 ( 3.708 -4.902 -3.419) 7.033 13.825 ( 1.881 5.642 -3.036) 6.677 13.990 ( 4.131 2.974 2.682) 5.754 16.939 ( -0.577 1.753 -0.882) 2.046 17.106 ( 2.856 -1.244 -0.745) 3.203 22.963 ( 1.142 2.430 -0.777) 2.795 23.027 ( 4.885 3.989 -1.368) 6.454 24.767 ( -0.336 -0.278 -0.055) 0.440 24.770 ( -0.262 -0.134 0.046) 0.298 26.059 ( -2.267 -0.032 -0.756) 2.390 26.088 ( -1.844 0.694 -0.109) 1.974 26.215 ( -4.338 0.353 1.074) 4.483 26.282 ( -1.145 -0.027 -1.571) 1.944 26.296 ( -1.449 -1.850 -2.263) 3.262 26.450 ( -6.396 0.893 0.678) 6.493 26.613 ( -0.683 -0.909 2.555) 2.797 26.696 ( -1.509 -2.489 3.584) 4.617 26.891 ( 7.133 4.803 -2.873) 9.067 27.295 ( 4.474 -6.625 1.330) 8.104======================= Grid point 62 (33/69) =======================q-point: (-0.11 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.477 ( -8.035 13.656 4.668) 16.518 0.519 ( -8.285 12.752 7.416) 16.919 0.912 ( -12.236 23.748 6.367) 27.463 0.994 ( -2.489 2.409 1.126) 3.643 1.067 ( 2.345 -2.599 1.886) 3.977 1.106 ( -1.438 -4.085 0.167) 4.334 1.213 ( 0.943 1.334 1.038) 1.935 1.277 ( -2.301 -1.258 -1.566) 3.055 1.302 ( -2.139 -2.023 0.962) 3.097 1.386 ( -2.467 2.052 3.823) 4.991 1.393 ( -2.445 -0.455 1.212) 2.767 1.565 ( -0.148 -4.648 -0.685) 4.700 1.631 ( -2.811 -3.707 -1.252) 4.817 1.675 ( -0.098 -2.120 -0.483) 2.177 1.759 ( -0.960 -4.786 -3.732) 6.145 1.815 ( -2.354 -0.571 -1.655) 2.934 1.849 ( -1.745 -4.977 7.730) 9.357 1.907 ( -0.510 -0.125 1.883) 1.955 1.958 ( 1.752 1.690 0.306) 2.453 2.014 ( 1.421 2.971 -1.116) 3.478 2.030 ( -1.763 -4.136 -0.437) 4.518 2.057 ( 0.514 1.792 -1.906) 2.667 2.096 ( -0.446 0.718 0.807) 1.169 2.210 ( 1.791 3.382 0.029) 3.827 2.254 ( 0.427 0.170 -1.914) 1.969 2.334 ( 1.522 2.836 1.513) 3.557 2.352 ( 0.396 0.227 0.056) 0.460 2.409 ( -0.048 0.598 1.494) 1.610 2.432 ( -2.505 -1.680 -0.869) 3.139 2.469 ( -0.152 -4.510 0.438) 4.533 2.497 ( -0.616 -1.759 -0.599) 1.958 2.696 ( 0.212 -1.603 -1.842) 2.451 2.736 ( 1.467 -2.515 -0.670) 2.987 2.808 ( 2.535 1.631 3.245) 4.429 2.830 ( 0.666 0.244 1.254) 1.441 2.834 ( 2.445 1.796 -0.391) 3.059 2.937 ( 0.849 -1.466 -2.547) 3.059 3.069 ( 2.733 -1.026 0.663) 2.993 3.152 ( 1.616 0.622 -1.037) 2.018 3.236 ( 1.267 -2.290 -1.249) 2.900 3.499 ( -2.372 -0.879 1.615) 3.002 3.557 ( -4.565 -7.015 6.011) 10.304 3.805 ( 0.497 8.027 -0.452) 8.055 3.976 ( 1.763 3.095 1.348) 3.809 4.155 ( -1.475 -1.013 2.349) 2.953 4.161 ( -1.550 -1.869 -0.411) 2.462 4.235 ( 0.018 -5.767 -2.409) 6.250 4.325 ( -1.661 -6.954 2.393) 7.540 4.754 ( 4.308 9.255 -4.843) 11.299 4.865 ( -2.057 0.428 2.054) 2.938 4.966 ( 1.072 -1.649 -4.736) 5.128 5.123 ( -2.653 -5.263 0.504) 5.915 5.301 ( 3.095 9.259 -1.210) 9.838 5.971 ( 10.303 -0.922 -9.343) 13.939 7.846 ( -0.086 3.109 0.643) 3.176 8.012 ( 0.474 -1.192 0.989) 1.620 8.152 ( -2.748 7.720 2.715) 8.633 8.453 ( -1.718 0.049 0.996) 1.987 8.613 ( 0.013 -3.366 -0.083) 3.367 8.689 ( 4.294 -4.839 -0.246) 6.474 9.720 ( -3.584 0.050 -0.044) 3.585 9.734 ( -3.727 0.125 -2.998) 4.785 10.059 ( -1.723 0.548 1.216) 2.179 10.149 ( 0.157 -1.740 -0.712) 1.886 12.631 ( 0.132 2.068 0.089) 2.074 12.683 ( -0.757 1.002 0.379) 1.312 12.950 ( 0.223 -0.448 1.618) 1.693 13.008 ( 1.923 -0.259 -0.187) 1.949 13.272 ( -0.109 4.609 0.168) 4.614 13.395 ( 2.749 2.583 -0.796) 3.856 13.582 ( -2.098 -0.101 2.572) 3.321 13.747 ( 2.921 -3.797 -3.541) 5.957 13.864 ( 7.444 4.922 -3.965) 9.765 14.062 ( 4.001 -0.417 -3.168) 5.121 16.941 ( 0.608 3.138 1.521) 3.540 17.141 ( 2.080 -1.313 0.787) 2.583 22.979 ( 0.925 2.895 0.920) 3.175 23.115 ( 7.802 4.473 -0.790) 9.028 24.756 ( -0.081 0.035 -0.192) 0.211 24.776 ( -0.300 -0.347 0.738) 0.869 26.025 ( -0.497 -0.389 -0.493) 0.800 26.072 ( 0.271 0.888 -0.303) 0.977 26.135 ( -6.871 -1.849 0.401) 7.127 26.203 ( -3.323 -1.889 -4.477) 5.887 26.273 ( -0.899 2.047 0.318) 2.259 26.350 ( -3.548 1.989 -2.085) 4.571 26.638 ( 0.908 -2.793 -0.281) 2.950 26.704 ( -2.184 -3.451 0.744) 4.152 26.993 ( 5.121 5.447 3.156) 8.115 27.362 ( 1.274 -6.485 3.566) 7.510======================= Grid point 63 (34/69) =======================q-point: ( 0.00 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.767 ( 0.185 10.670 4.932) 11.756 0.778 ( -2.576 13.442 3.368) 14.095 0.928 ( -1.630 -4.316 1.812) 4.957 1.016 ( -0.381 -6.195 4.313) 7.558 1.068 ( -1.152 -0.491 -3.776) 3.978 1.088 ( 1.296 -4.601 -3.235) 5.772 1.235 ( 0.435 1.192 0.210) 1.287 1.253 ( 2.675 1.395 -4.283) 5.239 1.389 ( -0.353 4.397 2.212) 4.935 1.395 ( -2.455 0.888 0.896) 2.760 1.459 ( -1.738 -3.498 -0.802) 3.988 1.482 ( 0.049 -2.113 -0.936) 2.312 1.591 ( 3.266 7.415 4.008) 9.039 1.608 ( -1.458 -0.575 -2.312) 2.793 1.671 ( -1.375 2.003 1.403) 2.805 1.757 ( -0.302 -0.265 -2.555) 2.586 1.812 ( -0.488 0.824 4.158) 4.266 1.895 ( -0.544 2.270 -2.946) 3.759 1.900 ( 0.794 -5.098 1.559) 5.390 2.000 ( 0.517 -4.622 -1.947) 5.041 2.048 ( 0.481 2.169 -1.516) 2.690 2.061 ( 0.587 0.091 -4.400) 4.440 2.119 ( 0.407 0.724 1.040) 1.331 2.180 ( -1.795 -5.041 0.203) 5.355 2.283 ( -0.471 1.379 -1.184) 1.877 2.319 ( -0.167 -1.796 -2.980) 3.484 2.341 ( -0.597 1.939 1.565) 2.562 2.381 ( 1.640 -0.053 4.413) 4.708 2.419 ( -0.970 -0.373 1.625) 1.929 2.453 ( -0.755 -1.486 0.796) 1.847 2.556 ( 2.638 2.885 4.455) 5.927 2.637 ( 0.849 -4.273 2.728) 5.140 2.738 ( -0.495 3.296 -0.856) 3.442 2.802 ( -2.191 -2.180 1.017) 3.254 2.856 ( -1.146 1.358 -1.336) 2.223 2.891 ( 0.209 -1.389 -1.687) 2.195 2.934 ( 0.078 3.196 -1.181) 3.408 3.019 ( -0.776 -3.917 -1.774) 4.370 3.183 ( 0.891 0.961 -0.911) 1.596 3.206 ( 1.713 -1.294 -0.590) 2.227 3.465 ( -0.811 -0.072 0.758) 1.112 3.483 ( 0.490 -1.356 0.780) 1.639 3.951 ( 0.185 4.295 -0.742) 4.363 4.035 ( -2.735 -1.624 -0.903) 3.307 4.084 ( -1.378 1.030 -0.238) 1.737 4.139 ( 1.736 0.450 -0.743) 1.941 4.160 ( -0.395 -3.420 2.422) 4.210 4.208 ( 0.451 -4.709 2.896) 5.547 4.870 ( -1.032 2.197 0.525) 2.484 4.883 ( 1.512 2.098 -0.724) 2.686 4.948 ( 0.753 0.251 -1.422) 1.628 5.004 ( -0.536 -3.647 -0.326) 3.701 5.554 ( 0.782 12.019 -2.626) 12.328 5.794 ( 0.149 -9.265 -8.858) 12.819 7.908 ( -0.280 2.242 -0.534) 2.322 7.964 ( -1.316 -2.854 -1.685) 3.566 8.355 ( -1.110 6.609 2.414) 7.123 8.415 ( -2.584 -0.539 0.593) 2.706 8.542 ( 2.183 0.713 2.274) 3.232 8.642 ( 1.799 -6.208 4.552) 7.906 9.673 ( -0.449 0.844 -3.190) 3.330 9.691 ( 0.263 -0.662 -2.952) 3.036 10.086 ( 0.061 1.797 1.275) 2.204 10.121 ( 0.687 -1.394 0.377) 1.599 12.679 ( 0.492 1.515 0.065) 1.594 12.696 ( 0.385 -0.008 0.121) 0.404 12.980 ( -1.168 1.675 3.250) 3.838 13.021 ( -1.067 -1.747 4.177) 4.652 13.326 ( -1.024 5.589 -4.975) 7.552 13.449 ( -0.241 -4.430 -3.582) 5.702 13.578 ( -0.297 3.758 -1.355) 4.006 13.665 ( 2.512 -4.103 -3.390) 5.885 13.918 ( 0.199 0.325 -2.951) 2.976 13.950 ( 0.379 -2.643 -5.088) 5.746 17.086 ( 0.782 4.468 4.569) 6.438 17.161 ( 0.960 -2.441 3.721) 4.553 23.081 ( 0.230 3.910 1.180) 4.091 23.157 ( 0.461 -3.010 -0.473) 3.082 24.767 ( 0.207 0.197 0.658) 0.718 24.772 ( -0.032 -0.282 0.691) 0.747 26.028 ( 0.337 -0.111 0.506) 0.618 26.037 ( 0.096 -0.814 0.282) 0.867 26.114 ( 2.549 1.103 -1.579) 3.195 26.133 ( 1.774 -0.439 -2.537) 3.127 26.294 ( -2.224 1.819 0.763) 2.973 26.322 ( -1.454 -0.629 0.356) 1.624 26.578 ( -0.265 -0.770 -2.701) 2.821 26.593 ( -1.386 -2.004 -1.945) 3.118 27.198 ( 0.216 5.101 3.796) 6.362 27.301 ( -0.578 -4.674 2.519) 5.341======================= Grid point 64 (35/69) =======================q-point: ( 0.11 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.819 ( 1.394 9.622 6.488) 11.688 0.876 ( 6.372 5.680 4.245) 9.533 0.952 ( 3.125 -1.935 1.407) 3.936 0.991 ( 0.717 -2.594 -2.438) 3.632 1.087 ( 1.627 -2.200 4.738) 5.471 1.156 ( 3.153 -4.726 1.366) 5.843 1.215 ( 3.620 3.503 -2.948) 5.837 1.287 ( 3.491 -1.119 -2.519) 4.448 1.334 ( -2.391 2.051 -1.177) 3.363 1.389 ( -1.766 -5.004 -0.671) 5.348 1.429 ( -2.758 1.055 1.001) 3.117 1.466 ( 0.688 -1.618 -2.309) 2.902 1.586 ( -0.539 2.404 2.499) 3.510 1.644 ( 0.833 -1.118 0.300) 1.426 1.723 ( 5.589 4.026 0.654) 6.919 1.786 ( 5.589 -1.326 -1.418) 5.917 1.838 ( 0.144 3.556 -2.979) 4.642 1.885 ( 1.695 1.407 2.611) 3.416 1.931 ( 0.786 -3.524 -1.752) 4.013 1.968 ( 1.010 -2.554 -4.275) 5.081 2.015 ( -0.846 1.411 0.275) 1.668 2.050 ( -0.774 -1.147 -0.326) 1.422 2.095 ( -2.074 2.362 0.094) 3.145 2.168 ( -0.340 -3.266 0.521) 3.324 2.244 ( -1.849 1.094 -0.735) 2.271 2.288 ( -0.712 -2.575 -1.809) 3.227 2.385 ( 0.404 3.388 4.772) 5.866 2.419 ( 0.981 1.982 0.062) 2.213 2.475 ( 1.145 -0.926 4.868) 5.086 2.481 ( 2.395 -2.281 0.907) 3.429 2.618 ( -0.746 2.244 2.011) 3.104 2.655 ( -4.254 -3.013 2.129) 5.631 2.709 ( -0.686 3.211 -0.942) 3.416 2.756 ( -3.541 -0.824 0.241) 3.644 2.826 ( 0.105 1.064 -0.760) 1.312 2.882 ( 0.758 -3.014 0.210) 3.115 2.931 ( 0.350 0.125 -0.098) 0.385 2.972 ( -1.569 -3.374 -2.465) 4.463 3.184 ( 0.531 1.127 -0.644) 1.402 3.215 ( 0.420 -1.680 -0.818) 1.915 3.476 ( 1.228 1.462 0.319) 1.936 3.517 ( 2.140 -2.001 1.020) 3.102 3.950 ( -0.091 1.245 0.340) 1.294 3.972 ( -2.807 -1.573 -1.701) 3.640 4.074 ( 0.184 3.169 0.796) 3.273 4.152 ( 1.735 2.013 -1.505) 3.054 4.180 ( -0.662 -5.546 2.530) 6.132 4.237 ( 0.444 -5.083 1.045) 5.208 4.851 ( -1.699 6.388 -1.346) 6.745 4.877 ( -0.138 2.901 -1.226) 3.152 4.956 ( 0.109 -2.093 0.928) 2.292 5.006 ( 1.810 -3.924 -1.324) 4.519 5.502 ( -4.719 7.145 -1.171) 8.643 5.631 ( -7.029 -3.743 -8.736) 11.821 7.927 ( 1.881 -0.165 -0.632) 1.991 7.956 ( 4.218 -2.894 0.682) 5.161 8.375 ( -1.648 2.702 3.619) 4.808 8.403 ( 0.090 -0.817 0.900) 1.218 8.596 ( 0.014 3.218 1.616) 3.601 8.659 ( -3.320 -1.587 1.358) 3.922 9.655 ( 2.535 1.051 -2.964) 4.040 9.688 ( 3.966 -1.874 -2.748) 5.176 10.099 ( -0.195 2.207 0.764) 2.343 10.138 ( 0.908 -1.263 0.308) 1.586 12.693 ( 0.634 1.368 0.444) 1.572 12.709 ( 1.048 0.013 0.075) 1.050 12.984 ( -2.883 2.396 2.682) 4.610 13.037 ( -3.019 -2.210 3.959) 5.447 13.283 ( 1.105 2.293 -1.667) 3.043 13.377 ( -1.925 -5.437 -3.821) 6.919 13.569 ( 1.066 4.123 -0.769) 4.328 13.659 ( 2.781 -4.243 -4.654) 6.884 13.861 ( -3.015 1.225 -2.395) 4.041 13.892 ( -2.032 -1.290 -3.781) 4.482 17.131 ( -1.726 3.924 4.088) 5.924 17.184 ( -2.264 -0.824 1.816) 3.017 23.088 ( -1.223 2.808 1.364) 3.353 23.135 ( -2.104 -1.455 -0.503) 2.607 24.773 ( -0.306 0.458 0.416) 0.691 24.783 ( 0.262 -0.445 0.697) 0.868 26.046 ( 1.425 0.512 0.349) 1.554 26.067 ( 1.453 -1.042 -0.380) 1.828 26.152 ( 5.495 0.919 -1.436) 5.753 26.169 ( 6.461 -0.474 -2.922) 7.107 26.276 ( -0.821 2.223 0.509) 2.423 26.322 ( 0.033 -1.595 1.247) 2.025 26.548 ( 0.132 -0.193 -1.729) 1.744 26.574 ( 1.734 -2.115 -1.111) 2.952 27.208 ( -4.765 2.971 4.048) 6.923 27.272 ( -5.475 -3.197 0.783) 6.388======================= Grid point 65 (36/69) =======================q-point: ( 0.22 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.935 ( 2.395 4.510 6.621) 8.362 0.987 ( 2.680 0.586 1.139) 2.971 1.032 ( 5.071 -0.223 0.965) 5.167 1.098 ( 8.135 -2.299 2.954) 8.955 1.158 ( 4.895 2.641 -1.695) 5.815 1.195 ( 5.311 0.923 0.612) 5.426 1.237 ( -0.121 2.045 -4.288) 4.752 1.321 ( 5.823 -3.080 -2.195) 6.943 1.340 ( -0.359 -0.157 3.429) 3.451 1.392 ( 3.559 -0.696 3.137) 4.795 1.432 ( 1.671 -2.280 0.999) 2.998 1.466 ( 1.564 -3.342 2.905) 4.696 1.613 ( -0.718 1.805 0.919) 2.149 1.639 ( -1.000 0.974 -1.826) 2.299 1.774 ( 0.078 1.402 -4.653) 4.860 1.808 ( 4.872 2.691 -3.155) 6.398 1.857 ( 1.613 -0.724 0.417) 1.816 1.905 ( 1.724 0.653 -0.275) 1.864 1.952 ( 3.214 -1.365 1.809) 3.932 1.952 ( 1.296 -2.104 -1.382) 2.831 2.009 ( -3.493 1.598 1.091) 3.993 2.032 ( -1.669 0.191 0.944) 1.927 2.108 ( 0.990 1.361 0.553) 1.771 2.153 ( 1.054 0.248 -0.023) 1.083 2.215 ( -1.051 -3.339 -2.751) 4.452 2.264 ( -1.834 -4.953 2.283) 5.754 2.411 ( -2.104 4.685 -0.127) 5.138 2.441 ( 2.106 3.590 -0.995) 4.279 2.495 ( -1.082 0.894 -0.301) 1.436 2.535 ( 0.970 -0.291 1.534) 1.839 2.560 ( -6.557 -2.431 -0.341) 7.001 2.613 ( -2.053 -1.513 1.764) 3.100 2.684 ( -1.818 1.592 0.205) 2.425 2.737 ( 0.477 -0.438 1.022) 1.210 2.830 ( -0.520 2.371 0.645) 2.511 2.885 ( -1.708 -1.646 -0.683) 2.469 2.936 ( 1.897 -0.850 -0.334) 2.105 2.963 ( 0.415 -2.918 1.668) 3.386 3.195 ( 1.874 0.645 -0.222) 1.994 3.217 ( 1.479 -1.234 -0.621) 2.024 3.498 ( 1.161 2.417 -0.286) 2.697 3.557 ( 1.437 -2.836 0.478) 3.215 3.914 ( -1.823 2.328 -0.898) 3.090 3.963 ( -0.965 -0.746 2.122) 2.448 4.107 ( 1.975 1.403 1.425) 2.810 4.157 ( 0.814 2.263 -1.272) 2.721 4.197 ( 0.118 -5.790 1.512) 5.985 4.255 ( 0.372 -5.569 0.531) 5.607 4.779 ( -3.450 9.575 -2.898) 10.582 4.860 ( -0.528 1.381 -1.759) 2.298 4.967 ( -0.122 -1.620 1.104) 1.964 5.007 ( -0.213 -4.931 -1.401) 5.131 5.380 ( -8.101 3.733 -2.445) 9.249 5.446 ( -5.845 -2.234 -1.946) 6.553 7.973 ( 4.057 3.354 0.530) 5.291 8.069 ( 5.876 -4.784 2.266) 7.909 8.365 ( -2.711 2.738 0.445) 3.879 8.419 ( -0.720 -2.116 0.728) 2.351 8.547 ( -4.013 5.583 -0.978) 6.945 8.644 ( -0.536 -3.473 1.783) 3.940 9.679 ( 3.623 2.756 -1.605) 4.827 9.746 ( 5.485 -3.168 -0.963) 6.407 10.097 ( -0.389 2.640 -0.157) 2.673 10.153 ( 0.686 -2.175 -0.137) 2.285 12.706 ( 0.769 1.597 0.232) 1.788 12.730 ( 1.362 -0.560 0.104) 1.477 12.952 ( -3.866 2.908 1.261) 5.000 13.019 ( -3.910 -2.970 2.507) 5.513 13.312 ( 2.734 0.167 -0.270) 2.752 13.344 ( 0.863 -2.134 0.822) 2.444 13.598 ( 1.816 2.150 2.002) 3.454 13.642 ( 2.694 -1.609 -6.371) 7.102 13.773 ( -5.176 0.284 -1.303) 5.345 13.799 ( -4.667 -1.709 -2.801) 5.705 17.124 ( -3.204 2.173 1.791) 4.266 17.139 ( -3.785 0.962 -0.637) 3.957 23.073 ( -2.095 1.876 0.648) 2.885 23.092 ( -2.628 0.200 -0.285) 2.651 24.770 ( -0.289 0.976 0.097) 1.022 24.792 ( 0.066 -0.983 0.338) 1.042 26.062 ( 0.697 0.378 -1.041) 1.309 26.073 ( 0.881 -0.384 -0.618) 1.143 26.224 ( 3.999 0.251 -0.826) 4.092 26.250 ( 3.884 -1.752 0.054) 4.261 26.293 ( 4.192 3.720 -0.637) 5.641 26.361 ( 4.724 -1.772 0.160) 5.048 26.555 ( 2.163 1.819 -0.129) 2.829 26.618 ( 3.654 -2.892 0.616) 4.700 27.149 ( -7.774 -0.296 3.492) 8.527 27.159 ( -8.298 -1.373 -1.045) 8.476======================= Grid point 66 (37/69) =======================q-point: ( 0.33 0.40 -0.80)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.016 ( 0.683 0.626 1.654) 1.896 1.030 ( 0.630 0.030 3.388) 3.446 1.088 ( 2.584 0.196 -1.897) 3.211 1.143 ( 2.716 -2.206 -4.252) 5.507 1.216 ( 3.330 2.872 -1.910) 4.794 1.253 ( 3.320 1.107 -3.924) 5.258 1.298 ( 7.556 2.735 0.035) 8.036 1.342 ( 2.784 -2.633 -0.971) 3.952 1.463 ( 5.057 1.523 6.757) 8.576 1.502 ( 1.537 0.540 -4.164) 4.471 1.509 ( 3.091 1.843 2.019) 4.126 1.547 ( 3.819 -2.395 5.897) 7.423 1.574 ( 1.088 -0.263 -0.210) 1.139 1.623 ( 0.064 -2.040 3.018) 3.643 1.755 ( 2.722 2.213 0.103) 3.510 1.817 ( -0.111 -2.217 0.457) 2.267 1.883 ( -4.020 2.610 -1.513) 5.026 1.908 ( -0.431 4.951 0.720) 5.021 1.948 ( -1.323 -0.785 -0.118) 1.543 1.954 ( -0.511 -0.102 0.546) 0.755 2.014 ( 0.520 -1.186 -0.856) 1.552 2.032 ( 3.041 -0.353 0.565) 3.113 2.138 ( 1.636 -3.145 -1.455) 3.832 2.166 ( -1.327 0.871 1.541) 2.212 2.207 ( 3.147 -4.859 0.883) 5.857 2.256 ( -1.754 -3.628 0.533) 4.065 2.318 ( -4.310 5.293 -3.603) 7.719 2.419 ( -4.210 -3.034 -2.349) 5.696 2.468 ( 0.228 3.665 0.094) 3.673 2.491 ( -1.738 1.554 -0.497) 2.384 2.544 ( -0.996 -1.849 -0.122) 2.104 2.579 ( -2.524 -3.612 -0.892) 4.496 2.679 ( 0.504 5.068 0.904) 5.173 2.778 ( 0.711 -2.375 2.860) 3.785 2.831 ( -0.411 3.325 0.970) 3.488 2.853 ( -0.737 0.677 -1.495) 1.799 2.952 ( 0.688 -0.710 -0.763) 1.249 2.976 ( -1.193 -2.285 1.353) 2.911 3.232 ( 3.061 1.486 -1.142) 3.589 3.251 ( 3.151 -0.032 -0.471) 3.186 3.502 ( 0.389 2.508 -0.765) 2.651 3.573 ( 0.786 -3.788 -0.225) 3.875 3.888 ( -1.278 4.438 0.362) 4.632 3.967 ( -1.970 -1.609 2.426) 3.515 4.148 ( 0.173 3.250 -0.565) 3.304 4.156 ( 1.757 -1.066 0.799) 2.205 4.211 ( 0.314 -4.014 -0.787) 4.103 4.245 ( -1.361 -4.436 -0.200) 4.644 4.725 ( -0.721 5.007 1.078) 5.172 4.802 ( -2.781 -1.547 -3.128) 4.462 4.970 ( -1.459 -0.204 1.132) 1.858 4.989 ( -0.385 -2.099 0.594) 2.215 5.264 ( -3.912 5.728 -0.134) 6.938 5.384 ( -3.417 -6.021 2.163) 7.253 8.025 ( 1.649 6.344 -1.554) 6.736 8.143 ( 2.216 -3.674 -2.051) 4.756 8.316 ( -1.429 3.724 -0.530) 4.024 8.403 ( -2.032 -3.017 2.145) 4.223 8.517 ( -0.601 5.229 1.588) 5.498 8.667 ( 1.161 -6.538 0.491) 6.659 9.724 ( 2.681 4.367 0.582) 5.157 9.819 ( 4.116 -3.895 0.094) 5.668 10.090 ( -0.092 2.512 -0.265) 2.527 10.157 ( 0.489 -3.155 -0.693) 3.267 12.723 ( 1.107 1.581 -0.186) 1.939 12.752 ( 1.461 -0.973 -0.265) 1.775 12.901 ( -3.628 3.273 0.696) 4.936 12.979 ( -3.447 -3.785 1.049) 5.226 13.357 ( 3.400 2.820 0.205) 4.422 13.401 ( 2.770 -0.408 2.203) 3.563 13.569 ( -1.449 3.365 -8.195) 8.977 13.667 ( -2.757 -4.174 -5.913) 7.745 13.671 ( -0.409 1.343 6.584) 6.732 13.732 ( -2.853 -3.496 4.268) 6.211 17.071 ( -2.572 1.703 -1.873) 3.609 17.084 ( -2.624 0.398 -0.276) 2.668 23.042 ( -1.750 1.585 -0.567) 2.428 23.050 ( -2.124 0.869 -0.425) 2.334 24.767 ( -0.105 1.080 -0.012) 1.085 24.793 ( -0.059 -1.234 -0.085) 1.238 26.062 ( 0.869 0.420 -0.460) 1.069 26.079 ( 0.365 -1.274 0.111) 1.330 26.245 ( -0.516 1.155 1.242) 1.773 26.293 ( 0.081 -2.825 2.313) 3.653 26.372 ( 7.751 5.444 -3.354) 10.048 26.463 ( 7.864 -1.846 -2.044) 8.333 26.607 ( 3.480 3.507 1.197) 5.084 26.685 ( 2.772 -2.156 2.235) 4.163 27.002 ( -8.614 0.184 -2.648) 9.014 27.060 ( -7.606 -4.733 2.477) 9.295======================= Grid point 67 (38/69) =======================q-point: ( 0.44 0.40 -0.80)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.024 ( 0.156 1.044 -0.532) 1.181 1.046 ( -0.520 -0.714 -1.510) 1.750 1.103 ( 2.262 0.655 -0.422) 2.392 1.153 ( 2.565 -1.850 -2.583) 4.083 1.193 ( -1.252 3.010 -6.199) 7.004 1.249 ( 1.353 -1.188 -3.376) 3.826 1.347 ( -0.631 4.027 -4.357) 5.967 1.381 ( 2.975 0.011 -0.124) 2.977 1.427 ( 2.230 -1.836 0.477) 2.928 1.507 ( 0.365 -5.757 -5.606) 8.044 1.604 ( -0.122 5.391 2.883) 6.115 1.640 ( 1.717 1.792 3.125) 3.991 1.646 ( 1.862 0.266 5.429) 5.746 1.704 ( 0.268 -2.346 3.285) 4.046 1.759 ( -4.916 3.023 -0.482) 5.791 1.808 ( 0.804 4.380 -0.681) 4.505 1.823 ( -2.017 -2.185 1.261) 3.230 1.896 ( -1.085 -1.707 1.043) 2.276 1.968 ( 0.277 -0.380 2.197) 2.246 1.974 ( -0.902 1.787 0.716) 2.126 2.003 ( 5.718 -1.631 1.615) 6.161 2.089 ( 1.392 -0.574 2.023) 2.522 2.112 ( -0.937 -1.960 -0.297) 2.193 2.184 ( 0.825 0.974 0.538) 1.385 2.201 ( -3.795 -1.446 -2.840) 4.956 2.231 ( 0.124 -1.556 -0.415) 1.616 2.315 ( 3.370 -0.604 2.427) 4.197 2.366 ( 0.359 -2.637 -0.619) 2.732 2.457 ( -0.116 1.874 -1.914) 2.681 2.470 ( -0.687 0.877 0.354) 1.169 2.512 ( -1.643 -0.672 -0.460) 1.834 2.544 ( -1.222 -3.184 -0.424) 3.437 2.695 ( -0.298 6.350 -0.068) 6.357 2.785 ( -1.997 -0.721 -1.080) 2.382 2.816 ( -0.625 1.097 -1.446) 1.920 2.837 ( -0.120 1.043 -0.180) 1.065 2.955 ( 0.927 -0.760 -0.807) 1.445 2.964 ( -0.812 -0.557 0.149) 0.996 3.245 ( 1.937 3.117 -3.154) 4.839 3.277 ( 1.105 0.488 -1.661) 2.053 3.501 ( 0.473 1.854 -0.379) 1.951 3.579 ( 0.284 -4.474 -0.600) 4.523 3.879 ( -0.732 3.998 0.722) 4.128 3.946 ( -2.845 -0.921 0.400) 3.017 4.138 ( 0.097 2.207 -0.628) 2.297 4.187 ( 0.766 -1.024 -2.110) 2.467 4.200 ( 0.293 -2.990 2.167) 3.704 4.237 ( 0.081 -4.326 -0.057) 4.327 4.744 ( -1.957 1.436 1.009) 2.628 4.782 ( 3.131 -2.142 4.391) 5.802 4.965 ( -1.327 1.835 1.802) 2.894 4.996 ( 0.059 -1.518 0.831) 1.731 5.242 ( -1.154 5.872 2.522) 6.494 5.367 ( -2.313 -6.270 2.455) 7.120 7.994 ( 0.537 5.178 -4.935) 7.174 8.086 ( -0.388 -3.456 -8.107) 8.821 8.341 ( 0.716 5.165 3.234) 6.136 8.409 ( -1.463 -0.211 3.134) 3.465 8.541 ( -0.187 2.737 3.026) 4.084 8.674 ( 0.161 -6.519 -1.255) 6.640 9.770 ( 0.955 4.404 2.350) 5.082 9.870 ( 1.594 -4.239 0.726) 4.587 10.090 ( 0.186 2.139 0.134) 2.151 10.155 ( 0.505 -3.417 -0.909) 3.572 12.728 ( 0.451 2.147 -1.309) 2.554 12.762 ( 0.512 -0.882 -1.067) 1.476 12.869 ( -1.622 3.055 1.363) 3.718 12.948 ( -1.612 -4.295 0.894) 4.674 13.394 ( 0.115 5.217 -2.633) 5.845 13.443 ( 0.054 3.906 -0.523) 3.942 13.488 ( 3.017 -2.676 -3.042) 5.051 13.537 ( -3.382 -3.676 -4.711) 6.866 13.750 ( 0.324 0.463 6.250) 6.276 13.789 ( 0.097 -2.612 7.510) 7.952 17.027 ( -0.211 1.407 -1.921) 2.390 17.046 ( -0.832 -0.354 -1.410) 1.675 23.012 ( -0.522 1.452 -1.218) 1.966 23.018 ( -0.764 1.025 -1.093) 1.682 24.766 ( -0.042 0.925 -0.011) 0.926 24.789 ( -0.044 -1.168 -0.358) 1.223 26.081 ( 1.114 0.048 1.042) 1.526 26.091 ( 0.197 -1.140 1.316) 1.752 26.249 ( -0.997 1.645 1.492) 2.435 26.309 ( -1.695 -3.267 2.770) 4.606 26.436 ( 5.487 6.255 -4.125) 9.287 26.518 ( 2.725 -0.607 -3.109) 4.178 26.687 ( 4.450 3.486 1.482) 5.844 26.769 ( 1.517 0.537 5.829) 6.047 26.845 ( -4.372 -0.844 -5.129) 6.792 26.968 ( -6.358 -7.913 0.202) 10.153======================= Grid point 68 (39/69) =======================q-point: (-0.44 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.978 ( -3.389 3.138 -6.441) 7.926 1.010 ( 1.299 1.375 -4.659) 5.028 1.093 ( -2.308 1.980 -1.174) 3.260 1.118 ( -0.143 -0.790 -2.307) 2.442 1.159 ( -1.286 0.541 -0.069) 1.397 1.203 ( 0.537 -5.083 -1.790) 5.415 1.288 ( -1.566 3.281 -3.634) 5.140 1.396 ( -0.753 -2.964 -5.551) 6.338 1.445 ( -3.247 0.275 1.825) 3.735 1.490 ( 2.336 -3.021 1.268) 4.024 1.560 ( -5.592 3.519 -1.011) 6.684 1.593 ( -4.814 0.647 -0.146) 4.860 1.664 ( -0.649 -0.247 -1.583) 1.729 1.692 ( -1.492 -1.038 1.218) 2.188 1.757 ( -0.026 0.670 1.455) 1.602 1.847 ( 1.525 -4.710 -0.539) 4.980 1.858 ( 2.876 3.865 6.697) 8.250 1.903 ( 0.103 -0.255 3.639) 3.649 1.958 ( -2.663 0.543 1.464) 3.087 2.003 ( -2.790 -2.379 3.773) 5.261 2.068 ( 0.370 0.806 0.122) 0.895 2.093 ( -3.149 1.806 0.921) 3.745 2.144 ( 2.796 -0.749 -2.596) 3.888 2.170 ( 4.708 -2.388 -2.611) 5.890 2.225 ( 2.525 -1.220 4.646) 5.427 2.251 ( -0.591 -1.561 3.142) 3.558 2.353 ( -0.682 2.365 0.030) 2.461 2.376 ( 1.765 -0.028 -1.320) 2.204 2.444 ( -0.247 1.642 -1.628) 2.325 2.461 ( 1.271 1.462 -1.205) 2.282 2.504 ( 1.032 -0.252 0.328) 1.112 2.568 ( 3.409 -3.789 1.929) 5.450 2.650 ( -2.746 3.345 -1.781) 4.680 2.701 ( -4.771 -0.782 -2.370) 5.384 2.800 ( 0.119 3.648 -0.980) 3.779 2.841 ( 0.994 0.462 -0.788) 1.350 2.944 ( 0.452 0.903 -1.969) 2.213 2.969 ( 0.920 -1.694 -1.128) 2.233 3.233 ( 0.099 2.118 -1.996) 2.912 3.250 ( -1.126 0.820 -1.986) 2.426 3.506 ( 0.380 0.417 -0.275) 0.627 3.561 ( -1.063 -4.050 -1.451) 4.432 3.886 ( 0.660 2.276 0.897) 2.534 3.910 ( -0.687 1.005 -0.612) 1.363 4.143 ( 0.180 0.907 0.724) 1.174 4.169 ( -0.547 -2.061 -1.463) 2.586 4.205 ( -0.927 -2.455 -0.047) 2.625 4.248 ( 0.644 -4.921 -0.272) 4.970 4.769 ( 0.676 6.437 4.012) 7.615 4.874 ( 1.914 -3.221 2.160) 4.324 4.963 ( -1.052 1.971 0.883) 2.402 5.030 ( 2.468 -4.438 2.322) 5.584 5.283 ( 0.768 5.730 5.038) 7.669 5.382 ( 1.229 -3.612 3.377) 5.095 7.947 ( 1.165 1.307 -5.759) 6.020 7.993 ( 1.360 -3.015 -8.349) 8.981 8.359 ( -1.895 6.717 1.937) 7.243 8.430 ( -0.628 -0.100 2.191) 2.282 8.572 ( -0.639 2.688 3.440) 4.412 8.652 ( -1.024 -4.191 -0.736) 4.376 9.804 ( -0.813 2.911 3.175) 4.384 9.882 ( -1.154 -4.006 0.826) 4.250 10.096 ( 0.071 1.881 0.341) 1.913 10.150 ( 0.270 -2.958 -1.101) 3.168 12.712 ( -0.249 2.422 -1.074) 2.661 12.745 ( -0.365 -0.384 -1.742) 1.821 12.880 ( 0.420 2.711 1.699) 3.227 12.946 ( -0.311 -3.371 0.685) 3.454 13.336 ( -0.629 1.803 -1.828) 2.644 13.396 ( -4.077 -3.462 -3.666) 6.484 13.474 ( 3.067 3.897 -1.500) 5.181 13.560 ( 5.230 -3.519 -2.205) 6.678 13.835 ( 0.300 1.926 7.246) 7.504 13.871 ( 0.095 -1.070 6.189) 6.282 17.013 ( 0.895 1.021 -2.114) 2.512 17.031 ( 1.506 -0.470 -1.838) 2.422 22.999 ( 0.785 1.439 -1.450) 2.189 23.005 ( 1.098 0.958 -1.443) 2.051 24.766 ( -0.063 0.710 0.037) 0.713 24.784 ( -0.050 -0.938 -0.513) 1.070 26.113 ( 0.040 -0.227 2.001) 2.014 26.114 ( 0.406 0.136 1.849) 1.898 26.246 ( -1.000 0.909 0.532) 1.452 26.301 ( -2.843 -2.966 1.924) 4.537 26.449 ( 1.117 5.480 -2.182) 6.003 26.505 ( -1.429 -0.241 0.521) 1.540 26.672 ( -5.730 3.641 -2.168) 7.127 26.803 ( 5.486 -2.855 -7.192) 9.485 26.830 ( -4.497 -0.283 5.237) 6.908 26.935 ( 5.497 -5.235 1.558) 7.749======================= Grid point 69 (40/69) =======================q-point: (-0.33 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.831 ( -4.715 6.105 -5.410) 9.422 0.952 ( 0.105 -2.910 -5.672) 6.375 1.061 ( -6.495 7.589 -3.903) 10.724 1.079 ( -2.554 1.250 2.474) 3.769 1.100 ( -1.883 -0.556 0.891) 2.156 1.192 ( -0.245 -0.850 -2.138) 2.314 1.259 ( -4.055 -3.480 -1.368) 5.516 1.283 ( 0.043 -6.619 1.188) 6.725 1.419 ( -1.049 1.093 -1.948) 2.468 1.478 ( -5.383 -1.999 -0.952) 5.821 1.518 ( -1.817 2.072 2.998) 4.072 1.542 ( -1.855 -0.287 3.730) 4.175 1.639 ( -1.080 0.687 0.858) 1.541 1.704 ( -2.706 -2.931 3.453) 5.276 1.775 ( 1.968 3.159 -1.375) 3.968 1.863 ( 2.572 -2.842 -1.634) 4.167 1.915 ( -4.930 4.885 -1.428) 7.086 1.943 ( 0.901 0.573 1.020) 1.477 1.953 ( 0.122 -0.215 3.282) 3.291 1.990 ( -1.700 -1.990 2.156) 3.391 2.037 ( -3.358 1.564 0.754) 3.781 2.104 ( 0.430 -0.659 1.432) 1.634 2.139 ( 0.875 -0.187 -0.627) 1.092 2.185 ( -0.143 -2.046 1.967) 2.842 2.235 ( -3.912 3.617 2.288) 5.799 2.286 ( -1.822 -0.861 -0.922) 2.216 2.358 ( 1.973 -0.627 -1.426) 2.514 2.386 ( 3.051 -2.186 -2.511) 4.516 2.404 ( 1.418 3.381 -4.686) 5.950 2.506 ( 2.960 -3.571 -2.254) 5.157 2.520 ( -0.048 4.036 2.911) 4.977 2.609 ( -2.791 -4.144 4.605) 6.795 2.633 ( 3.134 1.875 1.275) 3.868 2.669 ( 1.946 -0.958 -1.196) 2.477 2.792 ( 0.773 3.372 -0.774) 3.545 2.832 ( 0.649 -1.009 -3.130) 3.352 2.939 ( 1.434 0.716 -1.002) 1.891 2.962 ( 0.426 -1.132 -1.135) 1.659 3.195 ( -1.462 1.788 -1.268) 2.635 3.225 ( -0.496 -0.560 -0.801) 1.096 3.502 ( -0.636 -0.519 -0.112) 0.829 3.527 ( -0.878 -2.698 -1.239) 3.096 3.915 ( 1.610 2.776 0.305) 3.224 3.927 ( 2.164 1.529 1.570) 3.080 4.134 ( -1.608 -1.728 -1.132) 2.618 4.147 ( -1.651 -2.006 1.268) 2.891 4.191 ( -0.091 -1.197 -0.665) 1.373 4.236 ( -0.722 -4.604 -1.484) 4.891 4.820 ( 0.795 5.664 1.801) 5.996 4.894 ( 0.042 -1.896 0.023) 1.897 4.957 ( -0.494 3.632 0.701) 3.732 5.078 ( 0.873 -6.609 -0.167) 6.669 5.374 ( 3.868 8.352 4.329) 10.172 5.516 ( 7.954 -4.402 6.168) 10.986 7.904 ( 1.496 -0.011 -4.499) 4.741 7.941 ( 1.950 -3.123 -5.458) 6.583 8.350 ( -2.409 6.137 2.786) 7.157 8.424 ( -1.213 -0.419 0.201) 1.299 8.597 ( -0.357 2.010 1.675) 2.641 8.631 ( -1.541 -1.496 0.159) 2.154 9.812 ( -2.689 1.151 2.625) 3.930 9.855 ( -3.070 -2.808 0.575) 4.200 10.096 ( -0.417 1.451 0.083) 1.513 10.137 ( -0.092 -2.258 -1.410) 2.663 12.703 ( -0.187 2.007 -0.117) 2.019 12.720 ( -0.208 0.543 -1.433) 1.547 12.906 ( 0.489 1.794 1.089) 2.155 12.947 ( 0.112 -1.872 0.152) 1.882 13.321 ( -1.128 -0.009 -1.075) 1.559 13.357 ( 2.461 -2.924 2.189) 4.404 13.500 ( 2.743 4.616 -1.733) 5.642 13.605 ( 4.667 -4.923 -3.580) 7.670 13.905 ( -0.270 2.625 3.978) 4.773 13.939 ( 1.127 -0.182 4.353) 4.500 17.001 ( 1.102 2.065 -2.475) 3.406 17.044 ( 2.714 -1.698 -2.140) 3.850 23.004 ( 1.775 1.900 -1.265) 2.891 23.020 ( 2.823 0.537 -1.210) 3.118 24.765 ( -0.086 0.375 0.112) 0.401 24.776 ( -0.198 -0.567 -0.569) 0.827 26.123 ( -1.000 1.052 0.627) 1.582 26.128 ( -1.600 1.264 1.727) 2.672 26.227 ( -0.784 -1.288 -1.410) 2.064 26.262 ( -4.138 -2.893 0.676) 5.094 26.430 ( -2.607 5.776 0.558) 6.361 26.495 ( -3.883 -0.481 4.323) 5.831 26.586 ( -1.351 0.916 -1.134) 1.988 26.680 ( -4.953 -6.717 -4.472) 9.469 26.925 ( 6.765 6.599 -0.192) 9.452 27.057 ( 6.541 -6.013 1.325) 8.983======================= Grid point 70 (41/69) =======================q-point: (-0.22 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.746 ( -2.416 8.862 1.102) 9.251 0.884 ( -8.336 7.410 -2.141) 11.357 0.918 ( -0.031 -2.276 -1.019) 2.494 1.047 ( -5.230 -1.032 1.946) 5.675 1.095 ( -0.143 0.941 -0.071) 0.954 1.160 ( -0.141 -2.836 -0.034) 2.840 1.235 ( -1.218 -0.395 2.541) 2.846 1.304 ( -1.589 -4.282 0.849) 4.645 1.389 ( -0.958 0.413 -0.135) 1.052 1.415 ( 0.366 -3.646 -0.473) 3.695 1.508 ( -3.317 4.022 1.910) 5.552 1.553 ( -2.528 0.166 1.261) 2.830 1.639 ( -1.888 2.646 2.794) 4.286 1.681 ( -5.054 -0.120 0.824) 5.123 1.734 ( -6.229 5.233 -2.747) 8.587 1.812 ( -0.599 2.989 0.105) 3.051 1.840 ( -1.899 -1.565 -2.192) 3.295 1.945 ( -1.105 -6.492 0.116) 6.587 1.967 ( -4.131 2.978 0.612) 5.129 1.983 ( 1.787 1.124 1.219) 2.438 2.040 ( 1.599 0.653 1.451) 2.256 2.089 ( 0.379 -1.400 -2.808) 3.160 2.166 ( -2.554 2.431 -3.078) 4.680 2.195 ( 1.933 1.844 1.257) 2.953 2.227 ( -2.177 -3.389 3.346) 5.236 2.255 ( 0.733 -3.076 2.986) 4.349 2.349 ( 0.236 0.212 -4.635) 4.646 2.364 ( 0.740 0.516 -0.604) 1.086 2.414 ( 3.256 0.135 -1.851) 3.748 2.486 ( -0.147 -2.633 -0.679) 2.724 2.578 ( -2.461 3.126 1.159) 4.144 2.638 ( -1.626 -2.252 2.554) 3.773 2.670 ( 1.846 -1.024 -1.364) 2.514 2.702 ( 3.567 -2.446 2.950) 5.235 2.806 ( 2.908 2.705 0.280) 3.982 2.849 ( 4.406 -0.700 -1.597) 4.738 2.941 ( 0.095 1.506 -0.634) 1.637 2.986 ( 2.147 -1.284 1.186) 2.769 3.170 ( 0.197 1.776 -1.363) 2.247 3.210 ( -0.226 -1.538 -0.783) 1.741 3.488 ( -1.107 -0.559 0.301) 1.276 3.504 ( -1.331 -1.946 -0.012) 2.358 3.944 ( 1.341 5.122 0.114) 5.295 3.990 ( 2.442 2.109 2.904) 4.341 4.106 ( -0.879 -2.908 0.135) 3.041 4.124 ( -2.027 -3.072 0.568) 3.723 4.181 ( -0.291 -1.567 -1.404) 2.124 4.200 ( -1.470 -3.826 -1.090) 4.241 4.838 ( 0.677 2.818 0.076) 2.899 4.889 ( 0.029 -1.985 -0.727) 2.114 4.963 ( 0.102 4.150 0.348) 4.166 5.063 ( -1.329 -4.791 -0.958) 5.063 5.483 ( 5.498 11.850 0.649) 13.080 5.712 ( 9.515 -8.674 1.768) 12.996 7.897 ( 1.780 1.613 -1.336) 2.749 7.939 ( 2.117 -2.484 -0.096) 3.266 8.342 ( -2.409 6.848 2.533) 7.689 8.430 ( 0.014 -1.203 3.416) 3.622 8.575 ( -2.191 -0.548 -2.394) 3.291 8.601 ( -1.622 -2.351 -1.512) 3.232 9.779 ( -3.723 0.710 0.970) 3.913 9.805 ( -3.603 -1.499 -0.306) 3.915 10.086 ( -0.797 1.125 0.036) 1.379 10.119 ( -0.079 -1.874 -1.261) 2.260 12.693 ( -0.436 2.011 -0.780) 2.200 12.709 ( -0.335 0.458 -0.209) 0.604 12.924 ( 0.533 0.859 1.204) 1.572 12.957 ( 0.450 -1.867 0.805) 2.082 13.343 ( 2.281 4.585 2.577) 5.733 13.425 ( 2.558 -1.568 0.342) 3.019 13.534 ( 3.195 2.240 0.369) 3.919 13.629 ( 4.102 -5.530 -3.874) 7.900 13.922 ( 0.455 4.063 -0.669) 4.143 13.995 ( 1.585 -2.316 0.984) 2.974 16.996 ( 1.339 3.258 -1.364) 3.777 17.062 ( 2.456 -2.797 -1.543) 4.029 23.025 ( 2.147 2.912 -0.495) 3.651 23.065 ( 4.065 -0.429 -0.562) 4.126 24.764 ( -0.268 0.014 -0.132) 0.299 24.767 ( -0.191 -0.187 -0.039) 0.270 26.088 ( -3.435 2.415 -0.071) 4.200 26.111 ( -1.578 1.038 -0.084) 1.891 26.185 ( -5.177 -2.123 0.361) 5.607 26.196 ( -0.936 -3.511 -2.854) 4.620 26.377 ( -3.829 4.726 0.030) 6.082 26.449 ( -6.448 -1.402 1.325) 6.730 26.592 ( 0.523 -0.479 1.068) 1.282 26.620 ( -0.146 -3.386 1.323) 3.638 27.024 ( 6.628 6.835 -0.534) 9.536 27.161 ( 5.302 -6.183 0.706) 8.176======================= Grid point 71 (42/69) =======================q-point: (-0.11 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.756 ( -3.004 9.077 4.366) 10.510 0.775 ( -3.604 12.922 2.314) 13.613 0.927 ( -0.634 -5.913 2.064) 6.295 1.001 ( -3.183 -4.527 2.625) 6.125 1.089 ( 0.881 1.841 -2.598) 3.304 1.159 ( -0.345 -3.745 -2.134) 4.324 1.231 ( -1.524 0.900 0.865) 1.970 1.274 ( -1.099 -1.439 -0.925) 2.033 1.400 ( -0.444 4.942 1.660) 5.233 1.414 ( -3.465 5.382 -1.656) 6.612 1.455 ( -0.078 -1.964 1.508) 2.477 1.512 ( -3.015 2.059 2.125) 4.225 1.554 ( -4.476 4.147 -1.161) 6.211 1.649 ( 0.279 -0.802 -1.397) 1.635 1.685 ( -1.393 -0.272 0.268) 1.444 1.795 ( -1.845 0.342 1.973) 2.723 1.817 ( -3.940 -2.149 1.685) 4.794 1.903 ( -3.191 -5.605 0.478) 6.467 1.928 ( -0.857 3.138 -1.031) 3.412 2.006 ( 0.954 -0.555 -1.658) 1.992 2.064 ( 0.890 1.849 -0.377) 2.086 2.081 ( 1.432 0.061 -2.140) 2.575 2.100 ( 0.578 0.562 -2.301) 2.439 2.196 ( -2.007 -7.977 -0.002) 8.226 2.276 ( 2.607 1.312 4.546) 5.402 2.292 ( 0.240 1.810 -0.207) 1.837 2.329 ( 1.754 -1.151 -0.976) 2.314 2.374 ( 0.668 -3.662 -1.445) 3.993 2.461 ( -3.290 1.353 -1.002) 3.696 2.464 ( 2.711 1.968 1.840) 3.821 2.499 ( -4.796 2.627 0.503) 5.491 2.610 ( -0.486 -6.205 0.271) 6.230 2.723 ( 2.239 2.428 1.006) 3.453 2.786 ( 1.586 -2.588 2.838) 4.155 2.861 ( 1.907 1.786 0.199) 2.620 2.889 ( 2.916 -0.127 -2.039) 3.560 2.940 ( 0.452 3.781 -0.327) 3.822 3.026 ( 0.949 -3.268 0.500) 3.440 3.171 ( 1.716 1.152 -1.092) 2.337 3.198 ( 0.292 -1.386 -1.184) 1.846 3.475 ( -1.397 -0.691 0.896) 1.797 3.484 ( -1.379 -1.461 0.561) 2.086 3.955 ( 0.584 6.211 -0.663) 6.274 4.062 ( 1.116 4.183 2.381) 4.941 4.089 ( -1.356 -6.296 0.940) 6.509 4.126 ( -0.032 -1.696 1.603) 2.334 4.144 ( -0.613 -0.844 -1.575) 1.889 4.184 ( -0.454 -4.906 0.729) 4.981 4.856 ( 1.441 1.807 0.245) 2.324 4.881 ( -0.158 -0.114 -0.484) 0.522 4.960 ( 0.167 2.053 -1.259) 2.414 5.028 ( -1.858 -3.820 -0.379) 4.265 5.546 ( 4.098 13.432 -2.708) 14.302 5.822 ( 6.673 -11.473 -5.395) 14.327 7.917 ( 0.183 3.331 0.761) 3.422 7.978 ( 0.722 -2.272 0.980) 2.577 8.345 ( -1.294 9.774 2.966) 10.296 8.471 ( -2.370 1.808 -0.778) 3.081 8.521 ( -1.319 -5.150 3.354) 6.286 8.552 ( 1.402 -7.160 -1.707) 7.493 9.730 ( -2.573 0.570 -0.859) 2.772 9.736 ( -2.853 -0.030 -2.202) 3.604 10.078 ( -0.504 1.273 0.623) 1.504 10.111 ( 0.349 -1.788 -0.261) 1.840 12.679 ( -0.085 1.921 -0.640) 2.026 12.698 ( -0.590 0.136 -0.112) 0.616 12.953 ( 0.247 0.905 2.450) 2.623 12.984 ( 0.385 -1.698 2.750) 3.255 13.387 ( -0.023 5.406 -1.779) 5.691 13.449 ( 3.233 0.771 -1.830) 3.794 13.584 ( 0.946 1.050 0.707) 1.581 13.652 ( 3.444 -4.557 -2.580) 6.267 13.922 ( 2.603 2.558 -3.027) 4.742 13.999 ( 0.875 -4.410 -3.814) 5.896 17.023 ( 1.804 4.066 1.917) 4.844 17.097 ( 2.183 -2.857 1.704) 3.979 23.056 ( 1.615 3.943 0.488) 4.288 23.126 ( 3.651 -2.196 -0.124) 4.263 24.760 ( -0.029 0.285 0.127) 0.313 24.767 ( -0.199 -0.406 0.493) 0.669 26.037 ( -2.265 1.381 -0.064) 2.653 26.075 ( -3.417 -1.691 -0.055) 3.813 26.114 ( -1.396 1.144 -1.134) 2.132 26.156 ( -0.502 -2.350 -2.479) 3.452 26.326 ( -3.022 2.646 0.591) 4.059 26.365 ( -4.134 -0.654 -0.223) 4.191 26.604 ( 0.266 -0.405 -1.018) 1.128 26.629 ( -1.226 -2.786 0.407) 3.071 27.123 ( 4.709 6.290 1.901) 8.084 27.246 ( 3.453 -5.344 2.147) 6.715======================= Grid point 90 (43/69) =======================q-point: ( 0.00 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.642 ( 5.510 0.000 13.241) 14.342 0.742 ( 1.634 0.000 15.227) 15.315 0.890 ( -3.917 0.000 -9.574) 10.344 1.012 ( -2.032 0.000 -9.366) 9.584 1.075 ( -2.261 0.000 5.243) 5.710 1.137 ( 0.434 0.000 4.834) 4.853 1.271 ( -2.518 0.000 13.632) 13.862 1.301 ( 0.859 0.000 0.900) 1.244 1.375 ( -1.147 0.000 -5.416) 5.536 1.404 ( -1.779 0.000 1.874) 2.584 1.424 ( 2.025 0.000 2.746) 3.412 1.459 ( 0.440 0.000 1.177) 1.257 1.539 ( 3.724 0.000 -3.388) 5.035 1.604 ( -2.177 0.000 -5.331) 5.758 1.751 ( 1.628 0.000 -1.979) 2.563 1.772 ( -0.751 0.000 -2.913) 3.009 1.880 ( -4.268 0.000 -0.688) 4.323 1.930 ( 2.914 0.000 -5.423) 6.157 1.966 ( 1.718 0.000 2.672) 3.177 1.980 ( -4.799 0.000 2.790) 5.551 2.053 ( 2.775 0.000 0.362) 2.799 2.062 ( -0.848 0.000 -2.766) 2.893 2.204 ( 1.914 0.000 3.073) 3.620 2.211 ( 0.124 0.000 3.154) 3.156 2.249 ( -4.755 0.000 1.512) 4.990 2.267 ( -1.423 0.000 -3.003) 3.323 2.288 ( 5.184 0.000 -2.732) 5.859 2.309 ( -1.250 0.000 -6.333) 6.455 2.470 ( -0.210 0.000 1.627) 1.641 2.479 ( -1.138 0.000 0.851) 1.421 2.538 ( 1.346 0.000 1.307) 1.876 2.586 ( -1.401 0.000 -3.336) 3.618 2.801 ( 3.465 0.000 1.513) 3.781 2.822 ( -1.720 0.000 -0.603) 1.822 2.918 ( -1.015 0.000 -0.209) 1.036 2.920 ( 1.438 0.000 -0.884) 1.688 2.980 ( 2.400 0.000 2.788) 3.679 3.048 ( -0.589 0.000 -3.168) 3.222 3.230 ( 0.408 0.000 2.401) 2.436 3.272 ( 0.182 0.000 -1.534) 1.545 3.568 ( 4.149 0.000 2.137) 4.667 3.609 ( -8.553 0.000 -1.910) 8.763 3.827 ( -2.908 0.000 5.306) 6.050 3.930 ( 1.941 0.000 -3.911) 4.366 4.212 ( 1.524 0.000 1.144) 1.905 4.229 ( -1.163 0.000 -0.287) 1.198 4.363 ( -2.836 0.000 5.375) 6.077 4.461 ( -4.391 0.000 1.954) 4.806 4.468 ( 14.890 0.000 -3.597) 15.319 4.560 ( -5.899 0.000 -7.999) 9.939 5.017 ( 1.526 0.000 5.099) 5.322 5.113 ( -1.100 0.000 -3.903) 4.055 5.384 ( 6.223 0.000 7.372) 9.647 5.565 ( -6.069 0.000 -9.333) 11.133 7.955 ( 3.931 0.000 4.323) 5.843 8.021 ( -1.613 0.000 -1.858) 2.461 8.308 ( 1.509 0.000 11.634) 11.731 8.502 ( -2.296 0.000 2.742) 3.577 8.544 ( -3.627 0.000 -9.919) 10.561 8.569 ( 2.409 0.000 -3.838) 4.532 9.645 ( -2.344 0.000 -0.307) 2.364 9.656 ( 2.882 0.000 -1.385) 3.198 10.065 ( -1.375 0.000 1.821) 2.282 10.108 ( 0.768 0.000 -2.236) 2.365 12.642 ( 0.938 0.000 0.996) 1.368 12.658 ( -1.106 0.000 -0.508) 1.217 12.986 ( -2.252 0.000 0.833) 2.401 13.000 ( 3.093 0.000 -0.675) 3.166 13.469 ( 3.275 0.000 3.903) 5.095 13.551 ( -3.968 0.000 -2.721) 4.811 13.567 ( 0.725 0.000 8.253) 8.284 13.738 ( 0.616 0.000 -5.370) 5.405 13.793 ( 5.138 0.000 0.349) 5.149 13.840 ( -4.890 0.000 -5.508) 7.366 17.025 ( 0.902 0.000 4.217) 4.313 17.103 ( -0.639 0.000 -3.120) 3.185 23.047 ( -0.705 0.000 3.084) 3.164 23.111 ( 2.201 0.000 -2.883) 3.627 24.775 ( 1.439 0.000 0.459) 1.511 24.780 ( -1.425 0.000 0.034) 1.425 26.071 ( -0.296 0.000 -0.051) 0.301 26.072 ( 1.263 0.000 -0.152) 1.272 26.080 ( 3.991 0.000 1.091) 4.138 26.097 ( -4.559 0.000 -0.387) 4.575 26.253 ( -0.624 0.000 0.571) 0.846 26.269 ( 1.059 0.000 -0.801) 1.327 26.622 ( 0.336 0.000 -0.438) 0.552 26.640 ( -1.804 0.000 -1.636) 2.435 27.226 ( 0.734 0.000 8.556) 8.587 27.391 ( -0.945 0.000 -6.999) 7.063======================= Grid point 91 (44/69) =======================q-point: ( 0.11 0.00 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.760 ( 4.885 0.000 -10.942) 11.983 0.870 ( 1.726 0.000 -10.733) 10.871 0.915 ( 9.123 0.000 8.536) 12.494 0.952 ( 3.472 0.000 11.447) 11.962 1.108 ( -0.367 0.000 3.624) 3.643 1.175 ( 3.795 0.000 -2.913) 4.784 1.305 ( -1.258 0.000 -3.183) 3.423 1.334 ( 0.702 0.000 3.679) 3.746 1.381 ( -2.625 0.000 6.403) 6.920 1.439 ( 2.323 0.000 4.595) 5.149 1.445 ( 4.790 0.000 -3.651) 6.023 1.502 ( -1.989 0.000 -4.125) 4.579 1.518 ( 3.728 0.000 -10.400) 11.048 1.563 ( 2.733 0.000 7.859) 8.321 1.730 ( -0.311 0.000 -1.389) 1.423 1.780 ( 1.913 0.000 1.568) 2.473 1.800 ( -6.286 0.000 2.290) 6.690 1.932 ( 1.357 0.000 -1.336) 1.905 1.947 ( -2.046 0.000 0.522) 2.112 2.014 ( 1.064 0.000 1.664) 1.975 2.028 ( -1.344 0.000 0.059) 1.345 2.097 ( 3.004 0.000 -0.717) 3.088 2.184 ( -3.761 0.000 0.882) 3.863 2.217 ( -3.486 0.000 -3.413) 4.879 2.227 ( 1.634 0.000 -3.055) 3.465 2.260 ( 0.677 0.000 1.719) 1.848 2.274 ( 0.642 0.000 5.721) 5.757 2.356 ( 5.659 0.000 -2.265) 6.095 2.488 ( 0.799 0.000 0.154) 0.813 2.519 ( 3.663 0.000 2.049) 4.197 2.534 ( -0.120 0.000 -2.470) 2.473 2.586 ( 1.271 0.000 2.633) 2.924 2.738 ( -6.595 0.000 -2.044) 6.904 2.830 ( -0.621 0.000 -1.101) 1.264 2.887 ( -2.682 0.000 0.006) 2.682 2.933 ( 0.185 0.000 -0.695) 0.719 2.989 ( -0.491 0.000 -3.978) 4.008 3.028 ( -0.264 0.000 2.574) 2.587 3.234 ( -1.641 0.000 -2.690) 3.151 3.241 ( -1.436 0.000 1.389) 1.997 3.516 ( -2.984 0.000 1.106) 3.183 3.693 ( 5.855 0.000 3.955) 7.066 3.850 ( -2.591 0.000 4.655) 5.327 3.914 ( 2.211 0.000 -2.524) 3.355 4.156 ( -10.491 0.000 -1.425) 10.587 4.243 ( 0.913 0.000 -0.612) 1.099 4.265 ( -4.422 0.000 -1.237) 4.592 4.381 ( -3.526 0.000 -3.362) 4.872 4.561 ( 3.968 0.000 9.196) 10.015 4.620 ( 8.661 0.000 -4.672) 9.841 5.051 ( -0.238 0.000 -4.561) 4.568 5.093 ( 1.047 0.000 4.001) 4.135 5.344 ( -8.114 0.000 -8.939) 12.072 5.555 ( 3.440 0.000 8.651) 9.310 7.945 ( -2.755 0.000 -4.244) 5.060 8.028 ( 0.940 0.000 1.110) 1.454 8.352 ( -5.178 0.000 -9.370) 10.706 8.439 ( -1.665 0.000 10.203) 10.338 8.554 ( 2.968 0.000 4.535) 5.420 8.605 ( 6.466 0.000 -2.955) 7.110 9.622 ( -0.570 0.000 0.440) 0.720 9.704 ( 4.638 0.000 -0.832) 4.712 10.082 ( 0.190 0.000 2.334) 2.342 10.115 ( 2.811 0.000 -1.520) 3.196 12.649 ( 0.756 0.000 -0.347) 0.832 12.682 ( 2.623 0.000 0.542) 2.679 12.943 ( -3.595 0.000 0.053) 3.596 13.028 ( 1.798 0.000 -1.257) 2.194 13.434 ( -5.362 0.000 -4.247) 6.840 13.540 ( -2.110 0.000 5.822) 6.193 13.621 ( -2.408 0.000 -8.422) 8.759 13.665 ( -1.013 0.000 7.206) 7.276 13.735 ( -2.265 0.000 -3.019) 3.775 13.857 ( 1.423 0.000 1.502) 2.069 17.042 ( -1.751 0.000 -3.813) 4.196 17.073 ( -0.492 0.000 3.390) 3.425 23.046 ( -2.875 0.000 1.489) 3.238 23.074 ( -1.567 0.000 -3.236) 3.595 24.758 ( -0.987 0.000 -0.161) 1.000 24.802 ( 1.270 0.000 0.142) 1.278 26.036 ( -2.011 0.000 -0.831) 2.176 26.089 ( 3.157 0.000 -1.110) 3.346 26.110 ( 3.146 0.000 0.373) 3.169 26.176 ( 5.859 0.000 1.041) 5.951 26.263 ( 1.178 0.000 0.749) 1.396 26.287 ( 2.634 0.000 -1.462) 3.013 26.599 ( -2.292 0.000 0.350) 2.318 26.635 ( 0.057 0.000 1.763) 1.764 27.267 ( -3.784 0.000 -7.799) 8.669 27.308 ( -2.174 0.000 7.934) 8.227======================= Grid point 92 (45/69) =======================q-point: ( 0.22 0.00 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.791 ( 12.587 0.000 -8.617) 15.254 0.796 ( 7.149 0.000 -10.876) 13.015 1.079 ( 1.016 0.000 2.273) 2.490 1.099 ( 4.653 0.000 -0.645) 4.697 1.172 ( 2.487 0.000 6.708) 7.154 1.216 ( 2.768 0.000 -1.802) 3.303 1.268 ( -0.368 0.000 -0.805) 0.885 1.324 ( -3.773 0.000 -0.374) 3.792 1.403 ( 2.499 0.000 0.559) 2.561 1.438 ( 2.750 0.000 -9.687) 10.070 1.456 ( 2.102 0.000 6.390) 6.726 1.509 ( 10.035 0.000 -6.085) 11.736 1.611 ( 6.562 0.000 3.854) 7.609 1.700 ( 2.776 0.000 4.164) 5.004 1.726 ( -5.940 0.000 3.947) 7.132 1.740 ( 1.514 0.000 3.195) 3.536 1.825 ( -1.750 0.000 2.949) 3.430 1.923 ( -0.808 0.000 -0.926) 1.229 1.944 ( 1.801 0.000 -1.231) 2.181 2.022 ( -0.841 0.000 3.624) 3.721 2.027 ( -2.525 0.000 -0.518) 2.578 2.092 ( -5.532 0.000 -2.031) 5.893 2.144 ( 2.169 0.000 -0.690) 2.276 2.150 ( -2.584 0.000 1.326) 2.904 2.253 ( 5.631 0.000 -2.301) 6.082 2.254 ( -1.196 0.000 -1.364) 1.814 2.351 ( 0.292 0.000 4.608) 4.618 2.380 ( 2.146 0.000 -3.730) 4.303 2.497 ( 0.333 0.000 -0.299) 0.447 2.530 ( -1.322 0.000 0.432) 1.391 2.547 ( -0.818 0.000 -4.118) 4.198 2.622 ( -1.628 0.000 2.891) 3.318 2.661 ( 0.380 0.000 3.311) 3.333 2.754 ( -4.144 0.000 -3.389) 5.353 2.851 ( -4.723 0.000 -4.889) 6.798 2.854 ( -2.781 0.000 1.815) 3.321 2.985 ( 2.020 0.000 -2.181) 2.973 3.035 ( -2.028 0.000 1.680) 2.634 3.179 ( -0.333 0.000 -2.652) 2.673 3.215 ( -2.524 0.000 -0.997) 2.714 3.519 ( -0.162 0.000 2.902) 2.906 3.763 ( 1.075 0.000 -2.213) 2.461 3.841 ( -3.799 0.000 2.807) 4.724 3.909 ( -12.439 0.000 -0.612) 12.454 4.025 ( 6.636 0.000 6.129) 9.034 4.203 ( -1.931 0.000 -1.667) 2.551 4.241 ( 1.277 0.000 -1.427) 1.915 4.387 ( 2.876 0.000 1.176) 3.107 4.676 ( 6.269 0.000 -5.046) 8.047 4.718 ( 0.700 0.000 10.160) 10.184 5.008 ( 1.247 0.000 -4.168) 4.350 5.124 ( -5.787 0.000 -1.130) 5.896 5.145 ( -2.278 0.000 -1.032) 2.501 5.673 ( -0.553 0.000 6.732) 6.754 7.859 ( -2.299 0.000 -3.330) 4.046 8.035 ( -0.228 0.000 0.537) 0.583 8.214 ( -1.194 0.000 -4.757) 4.905 8.475 ( -4.972 0.000 4.802) 6.912 8.646 ( 1.892 0.000 2.974) 3.525 8.664 ( 6.331 0.000 -5.643) 8.481 9.647 ( 1.069 0.000 3.550) 3.707 9.785 ( 5.471 0.000 1.056) 5.572 10.112 ( 0.130 0.000 1.947) 1.951 10.154 ( 3.841 0.000 -1.284) 4.050 12.665 ( 1.238 0.000 -0.623) 1.386 12.721 ( 2.200 0.000 -0.959) 2.400 12.884 ( -3.694 0.000 0.119) 3.695 13.034 ( 1.788 0.000 -1.923) 2.625 13.293 ( -5.042 0.000 -4.804) 6.965 13.477 ( -4.297 0.000 -1.933) 4.712 13.562 ( -4.477 0.000 2.520) 5.138 13.691 ( -1.871 0.000 2.195) 2.884 13.716 ( 3.577 0.000 -1.932) 4.066 13.875 ( -2.323 0.000 2.852) 3.678 16.979 ( -0.776 0.000 -2.936) 3.037 17.087 ( -1.574 0.000 1.991) 2.538 22.999 ( -2.921 0.000 -1.063) 3.108 23.009 ( -2.204 0.000 -2.398) 3.257 24.749 ( -0.157 0.000 0.181) 0.240 24.814 ( 0.589 0.000 -0.523) 0.788 26.018 ( 0.492 0.000 -0.160) 0.517 26.129 ( 3.719 0.000 -2.055) 4.249 26.173 ( 2.674 0.000 2.158) 3.436 26.258 ( 3.724 0.000 -0.455) 3.752 26.309 ( 2.498 0.000 -1.919) 3.150 26.331 ( 5.602 0.000 2.385) 6.088 26.576 ( -2.890 0.000 2.592) 3.882 26.652 ( -0.977 0.000 2.046) 2.267 27.108 ( -4.137 0.000 -8.201) 9.185 27.342 ( -3.690 0.000 5.730) 6.815======================= Grid point 93 (46/69) =======================q-point: ( 0.33 0.00 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.866 ( 13.149 0.000 -5.056) 14.087 0.901 ( 9.908 0.000 -6.720) 11.972 1.067 ( -2.942 0.000 -6.606) 7.231 1.095 ( 1.508 0.000 -0.333) 1.544 1.151 ( -0.024 0.000 -4.902) 4.902 1.260 ( 0.174 0.000 1.672) 1.681 1.305 ( 4.872 0.000 2.111) 5.310 1.309 ( -2.307 0.000 3.277) 4.007 1.411 ( 5.233 0.000 -4.520) 6.915 1.537 ( 6.995 0.000 4.981) 8.587 1.575 ( 1.874 0.000 4.245) 4.641 1.612 ( 8.837 0.000 -3.335) 9.446 1.634 ( -4.032 0.000 3.529) 5.358 1.682 ( -6.239 0.000 -2.165) 6.604 1.787 ( -3.074 0.000 0.576) 3.128 1.808 ( 2.854 0.000 7.724) 8.234 1.812 ( 2.276 0.000 -1.397) 2.671 1.864 ( -2.274 0.000 -1.570) 2.763 1.954 ( 1.593 0.000 0.850) 1.805 1.967 ( 4.290 0.000 -2.072) 4.764 2.058 ( -1.916 0.000 2.425) 3.090 2.086 ( 1.644 0.000 0.454) 1.706 2.134 ( -2.530 0.000 6.560) 7.031 2.140 ( -1.210 0.000 -1.975) 2.317 2.235 ( 0.662 0.000 -1.262) 1.424 2.322 ( 3.695 0.000 -3.253) 4.923 2.359 ( -1.873 0.000 0.472) 1.932 2.364 ( 1.545 0.000 -3.512) 3.836 2.465 ( -1.170 0.000 -0.554) 1.295 2.497 ( -0.753 0.000 0.807) 1.104 2.567 ( 2.320 0.000 -0.602) 2.397 2.567 ( -4.570 0.000 -0.062) 4.570 2.670 ( -5.129 0.000 -0.493) 5.153 2.693 ( -1.330 0.000 -0.701) 1.503 2.746 ( -0.199 0.000 -2.054) 2.064 2.837 ( -2.265 0.000 1.463) 2.697 2.964 ( -7.816 0.000 -2.718) 8.275 2.973 ( 1.196 0.000 -3.715) 3.903 3.164 ( -1.136 0.000 -0.256) 1.164 3.176 ( 2.217 0.000 -1.400) 2.622 3.565 ( 0.586 0.000 3.881) 3.926 3.696 ( -3.290 0.000 -3.249) 4.624 3.803 ( -0.581 0.000 -1.172) 1.308 3.811 ( -3.276 0.000 2.272) 3.987 4.183 ( 0.064 0.000 0.907) 0.910 4.203 ( 1.797 0.000 8.008) 8.207 4.262 ( 1.877 0.000 2.233) 2.917 4.418 ( 0.686 0.000 -2.425) 2.520 4.734 ( 8.936 0.000 -3.738) 9.686 4.796 ( -4.178 0.000 8.307) 9.299 4.991 ( 1.941 0.000 -3.335) 3.859 5.008 ( -4.830 0.000 0.572) 4.864 5.154 ( -1.164 0.000 2.682) 2.924 5.664 ( -5.996 0.000 0.224) 6.000 7.815 ( -0.172 0.000 -0.059) 0.182 8.047 ( 0.425 0.000 0.999) 1.085 8.198 ( 2.509 0.000 -0.959) 2.686 8.404 ( -7.200 0.000 0.753) 7.240 8.659 ( -1.506 0.000 -1.164) 1.903 8.666 ( 4.425 0.000 -8.326) 9.429 9.733 ( 1.723 0.000 6.932) 7.143 9.890 ( 4.809 0.000 2.397) 5.374 10.125 ( -0.692 0.000 1.113) 1.311 10.192 ( 3.052 0.000 -1.932) 3.612 12.652 ( -0.178 0.000 -2.755) 2.761 12.721 ( 0.573 0.000 -3.025) 3.078 12.841 ( -2.513 0.000 1.213) 2.790 13.035 ( 1.044 0.000 -3.618) 3.766 13.224 ( 0.895 0.000 0.901) 1.270 13.424 ( -2.360 0.000 1.394) 2.741 13.527 ( -2.153 0.000 1.817) 2.817 13.683 ( -1.339 0.000 1.156) 1.769 13.765 ( 3.383 0.000 -0.425) 3.410 13.847 ( -3.907 0.000 1.066) 4.050 16.957 ( 0.866 0.000 -1.061) 1.370 17.071 ( -2.231 0.000 0.540) 2.295 22.947 ( -1.282 0.000 -1.766) 2.182 22.956 ( -1.518 0.000 -1.610) 2.213 24.755 ( 0.093 0.000 0.608) 0.615 24.810 ( 0.155 0.000 -1.073) 1.084 26.043 ( 1.833 0.000 0.866) 2.028 26.150 ( 2.300 0.000 -2.488) 3.389 26.233 ( 0.532 0.000 3.566) 3.605 26.308 ( 4.219 0.000 -1.156) 4.374 26.331 ( 2.927 0.000 -0.920) 3.068 26.450 ( 3.737 0.000 3.162) 4.895 26.563 ( -3.317 0.000 3.791) 5.037 26.650 ( -1.394 0.000 1.247) 1.871 26.977 ( -0.124 0.000 -7.192) 7.193 27.306 ( -6.248 0.000 0.866) 6.307======================= Grid point 94 (47/69) =======================q-point: ( 0.44 0.00 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.904 ( 1.137 0.000 -5.243) 5.365 0.924 ( -5.143 0.000 -4.669) 6.947 1.065 ( 14.144 0.000 -0.344) 14.148 1.111 ( -0.620 0.000 -2.170) 2.256 1.113 ( 2.047 0.000 -3.202) 3.800 1.255 ( -2.936 0.000 -1.272) 3.200 1.325 ( -1.034 0.000 3.885) 4.020 1.377 ( 2.569 0.000 0.336) 2.591 1.528 ( 6.337 0.000 4.761) 7.926 1.536 ( -8.684 0.000 4.547) 9.803 1.554 ( -1.472 0.000 -2.160) 2.614 1.622 ( -2.632 0.000 0.803) 2.752 1.668 ( 1.639 0.000 -1.216) 2.041 1.671 ( 5.267 0.000 -0.967) 5.355 1.837 ( 1.354 0.000 -0.261) 1.379 1.840 ( 3.518 0.000 5.237) 6.309 1.908 ( 1.121 0.000 6.610) 6.704 1.920 ( 11.857 0.000 -0.889) 11.891 1.989 ( -0.477 0.000 1.436) 1.513 2.023 ( 1.305 0.000 -0.290) 1.337 2.058 ( -1.934 0.000 -1.896) 2.708 2.068 ( -1.111 0.000 0.029) 1.112 2.127 ( 2.353 0.000 1.665) 2.883 2.193 ( -0.888 0.000 3.085) 3.210 2.201 ( -1.335 0.000 -2.922) 3.212 2.238 ( -6.282 0.000 -0.639) 6.314 2.337 ( -2.440 0.000 -1.975) 3.139 2.344 ( 0.671 0.000 -3.830) 3.888 2.438 ( -4.228 0.000 -0.955) 4.334 2.461 ( -0.323 0.000 0.503) 0.598 2.563 ( -3.712 0.000 -2.250) 4.341 2.590 ( 4.789 0.000 -5.939) 7.630 2.612 ( 2.501 0.000 1.112) 2.737 2.665 ( 0.280 0.000 2.897) 2.910 2.744 ( 0.995 0.000 -0.971) 1.391 2.757 ( -7.609 0.000 -2.735) 8.085 2.838 ( -3.805 0.000 3.017) 4.856 2.950 ( 1.738 0.000 -4.210) 4.555 3.169 ( 0.406 0.000 0.498) 0.643 3.192 ( 1.404 0.000 -1.483) 2.042 3.606 ( -0.797 0.000 2.852) 2.961 3.643 ( -0.444 0.000 -1.085) 1.172 3.793 ( -2.096 0.000 1.708) 2.704 3.801 ( 1.495 0.000 -0.968) 1.781 4.228 ( 2.895 0.000 2.833) 4.050 4.254 ( 1.267 0.000 0.795) 1.496 4.322 ( -2.283 0.000 4.369) 4.929 4.363 ( -1.844 0.000 -3.887) 4.302 4.794 ( -7.811 0.000 8.295) 11.394 4.865 ( 11.035 0.000 -3.268) 11.508 4.968 ( -3.027 0.000 2.012) 3.635 4.993 ( 2.770 0.000 -2.662) 3.842 5.193 ( 1.721 0.000 5.325) 5.596 5.510 ( -7.913 0.000 -6.019) 9.942 7.860 ( 3.265 0.000 3.174) 4.553 8.044 ( -0.971 0.000 -2.524) 2.704 8.256 ( 4.607 0.000 1.021) 4.719 8.304 ( -6.547 0.000 2.267) 6.928 8.588 ( -3.487 0.000 -3.081) 4.654 8.622 ( 2.404 0.000 -8.115) 8.464 9.840 ( 0.656 0.000 7.681) 7.709 9.970 ( 2.586 0.000 0.625) 2.661 10.121 ( -1.319 0.000 1.539) 2.027 10.200 ( 1.467 0.000 -2.879) 3.231 12.623 ( 0.294 0.000 -1.800) 1.824 12.677 ( -0.624 0.000 -3.863) 3.913 12.840 ( -0.653 0.000 2.955) 3.026 12.983 ( -0.187 0.000 -5.245) 5.248 13.312 ( 4.101 0.000 4.456) 6.056 13.409 ( -3.127 0.000 2.455) 3.975 13.558 ( 3.369 0.000 1.994) 3.915 13.661 ( -4.029 0.000 0.993) 4.150 13.798 ( 1.686 0.000 -0.967) 1.944 13.800 ( -1.218 0.000 -0.787) 1.450 16.977 ( 2.032 0.000 0.206) 2.042 17.033 ( -2.514 0.000 -0.505) 2.564 22.920 ( -0.070 0.000 -1.158) 1.161 22.925 ( -0.567 0.000 -1.064) 1.206 24.763 ( -0.105 0.000 0.882) 0.889 24.798 ( 0.088 0.000 -1.252) 1.255 26.082 ( 1.304 0.000 1.216) 1.782 26.147 ( 1.142 0.000 -2.681) 2.914 26.275 ( -1.149 0.000 4.860) 4.994 26.359 ( 3.537 0.000 -1.136) 3.715 26.379 ( 3.673 0.000 -0.260) 3.683 26.453 ( -4.616 0.000 -0.256) 4.624 26.586 ( -1.062 0.000 4.823) 4.939 26.649 ( 0.154 0.000 0.455) 0.480 26.976 ( 7.710 0.000 -2.910) 8.241 27.167 ( -9.375 0.000 -3.180) 9.899======================= Grid point 95 (48/69) =======================q-point: (-0.44 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.810 ( -7.172 0.000 2.057) 7.461 0.876 ( -0.398 0.000 0.067) 0.404 1.080 ( -1.202 0.000 -0.126) 1.209 1.084 ( -3.573 0.000 -2.788) 4.532 1.120 ( -7.160 0.000 -2.613) 7.622 1.243 ( 5.761 0.000 -0.100) 5.762 1.349 ( -1.954 0.000 3.097) 3.662 1.390 ( 0.147 0.000 -1.731) 1.737 1.476 ( -2.930 0.000 4.912) 5.719 1.564 ( 1.159 0.000 2.412) 2.676 1.587 ( -3.043 0.000 -0.295) 3.057 1.624 ( 1.652 0.000 0.067) 1.653 1.671 ( 1.996 0.000 -1.463) 2.475 1.701 ( 1.361 0.000 -3.729) 3.970 1.829 ( -7.169 0.000 -0.786) 7.212 1.900 ( -0.440 0.000 0.570) 0.720 1.925 ( -15.573 0.000 -0.799) 15.593 1.974 ( -0.888 0.000 -0.698) 1.129 2.012 ( 0.032 0.000 0.310) 0.312 2.012 ( -0.140 0.000 1.318) 1.325 2.054 ( 4.226 0.000 2.116) 4.726 2.080 ( 1.531 0.000 -3.559) 3.874 2.091 ( 1.061 0.000 4.103) 4.238 2.187 ( 8.235 0.000 -0.100) 8.236 2.223 ( -3.908 0.000 -4.136) 5.690 2.250 ( 2.513 0.000 3.672) 4.450 2.286 ( 2.067 0.000 1.257) 2.419 2.310 ( 3.506 0.000 -2.407) 4.252 2.424 ( 0.022 0.000 2.190) 2.190 2.454 ( -0.929 0.000 1.516) 1.778 2.519 ( 2.064 0.000 -2.706) 3.403 2.574 ( 3.276 0.000 -3.871) 5.071 2.638 ( -5.674 0.000 -0.235) 5.679 2.648 ( -1.524 0.000 2.318) 2.774 2.743 ( 3.631 0.000 -0.553) 3.673 2.771 ( 5.538 0.000 -2.268) 5.984 2.844 ( -1.870 0.000 5.343) 5.660 2.929 ( 2.323 0.000 -4.645) 5.194 3.173 ( -0.472 0.000 0.221) 0.521 3.188 ( 0.495 0.000 -1.407) 1.492 3.610 ( -1.772 0.000 2.167) 2.799 3.636 ( -0.181 0.000 -0.270) 0.325 3.780 ( -1.664 0.000 0.995) 1.939 3.823 ( 2.660 0.000 -1.027) 2.852 4.274 ( -1.346 0.000 -1.334) 1.895 4.279 ( -1.167 0.000 -2.088) 2.392 4.303 ( -0.665 0.000 2.251) 2.348 4.344 ( 4.417 0.000 2.139) 4.908 4.740 ( -11.056 0.000 7.806) 13.534 4.930 ( -1.416 0.000 0.544) 1.517 4.970 ( 5.502 0.000 -4.320) 6.995 5.017 ( 3.662 0.000 -2.276) 4.311 5.329 ( -4.251 0.000 -7.164) 8.330 5.360 ( 9.322 0.000 7.659) 12.065 7.952 ( -3.397 0.000 -5.819) 6.738 7.965 ( 3.925 0.000 3.967) 5.581 8.246 ( -5.772 0.000 2.423) 6.260 8.355 ( 6.376 0.000 0.222) 6.380 8.519 ( -2.686 0.000 0.895) 2.832 8.577 ( 1.766 0.000 -3.860) 4.244 9.912 ( -1.797 0.000 5.704) 5.980 9.966 ( -0.829 0.000 -3.735) 3.826 10.129 ( -1.549 0.000 3.491) 3.819 10.178 ( 0.517 0.000 -3.144) 3.186 12.626 ( 0.832 0.000 0.688) 1.079 12.627 ( -0.721 0.000 -2.442) 2.546 12.882 ( 0.629 0.000 4.063) 4.111 12.926 ( 0.737 0.000 -4.989) 5.043 13.372 ( -3.213 0.000 -0.414) 3.240 13.415 ( 3.587 0.000 2.136) 4.175 13.583 ( -5.097 0.000 -0.361) 5.109 13.657 ( 5.350 0.000 1.548) 5.569 13.791 ( 0.310 0.000 -0.622) 0.695 13.800 ( 0.924 0.000 -1.095) 1.432 16.986 ( -2.378 0.000 -0.737) 2.490 17.021 ( 2.813 0.000 0.658) 2.889 22.913 ( 0.257 0.000 -0.610) 0.662 22.917 ( 0.693 0.000 -0.388) 0.795 24.772 ( -0.208 0.000 1.138) 1.157 24.785 ( 0.014 0.000 -1.155) 1.156 26.105 ( -0.177 0.000 1.229) 1.241 26.124 ( -0.087 0.000 -2.804) 2.805 26.295 ( -3.670 0.000 4.529) 5.829 26.358 ( -5.458 0.000 0.497) 5.481 26.386 ( 2.156 0.000 -3.988) 4.533 26.446 ( 4.832 0.000 0.486) 4.856 26.615 ( -1.145 0.000 3.774) 3.944 26.664 ( 2.047 0.000 -1.333) 2.443 26.967 ( -10.420 0.000 -2.871) 10.808 27.118 ( 10.276 0.000 1.004) 10.325======================= Grid point 96 (49/69) =======================q-point: (-0.33 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.735 ( -11.273 0.000 8.617) 14.189 0.801 ( -14.707 0.000 1.731) 14.808 0.980 ( 2.222 0.000 0.075) 2.223 1.077 ( -2.342 0.000 1.881) 3.004 1.079 ( 0.456 0.000 1.104) 1.195 1.248 ( -4.737 0.000 1.587) 4.996 1.298 ( -7.983 0.000 0.862) 8.029 1.363 ( -0.054 0.000 -1.974) 1.975 1.417 ( -11.137 0.000 -3.734) 11.746 1.543 ( -7.055 0.000 1.184) 7.154 1.563 ( -1.695 0.000 4.619) 4.920 1.601 ( -1.097 0.000 0.577) 1.240 1.637 ( -0.031 0.000 -0.545) 0.546 1.726 ( 6.558 0.000 -2.288) 6.946 1.762 ( -1.575 0.000 1.382) 2.095 1.832 ( 2.006 0.000 2.932) 3.552 1.832 ( -2.657 0.000 -3.331) 4.261 1.924 ( -1.081 0.000 -1.939) 2.220 1.983 ( -3.868 0.000 -2.909) 4.840 1.996 ( -0.685 0.000 -1.207) 1.387 2.078 ( 0.525 0.000 -1.662) 1.743 2.098 ( -4.013 0.000 -2.445) 4.699 2.148 ( 3.750 0.000 -0.361) 3.768 2.202 ( 3.570 0.000 1.704) 3.956 2.212 ( -2.740 0.000 1.528) 3.137 2.303 ( -1.418 0.000 1.390) 1.986 2.310 ( 2.904 0.000 -0.511) 2.949 2.353 ( 0.269 0.000 -0.124) 0.296 2.453 ( -0.024 0.000 1.839) 1.839 2.522 ( 1.861 0.000 -1.139) 2.182 2.547 ( -2.777 0.000 0.292) 2.792 2.556 ( 8.594 0.000 -1.941) 8.810 2.631 ( 3.505 0.000 0.932) 3.627 2.668 ( 1.595 0.000 3.244) 3.614 2.763 ( 1.516 0.000 -2.122) 2.608 2.859 ( 6.320 0.000 -0.514) 6.340 2.879 ( -1.355 0.000 4.665) 4.857 2.934 ( 4.448 0.000 -1.793) 4.795 3.160 ( -1.309 0.000 0.174) 1.321 3.182 ( 1.113 0.000 -1.486) 1.857 3.614 ( -2.104 0.000 -0.592) 2.186 3.622 ( -0.176 0.000 3.657) 3.661 3.769 ( -1.139 0.000 1.461) 1.853 3.856 ( 3.509 0.000 -1.800) 3.944 4.215 ( -1.717 0.000 -1.999) 2.635 4.234 ( -1.920 0.000 -0.715) 2.049 4.351 ( 1.033 0.000 3.338) 3.494 4.418 ( 4.171 0.000 -4.448) 6.098 4.639 ( -10.646 0.000 5.591) 12.024 4.910 ( -1.870 0.000 1.500) 2.397 4.985 ( 3.980 0.000 -6.480) 7.605 5.049 ( 3.936 0.000 -2.391) 4.605 5.229 ( -0.181 0.000 -4.612) 4.615 5.608 ( 11.084 0.000 5.252) 12.265 7.846 ( -2.353 0.000 -3.362) 4.104 8.040 ( 0.976 0.000 1.592) 1.867 8.172 ( -5.465 0.000 1.426) 5.648 8.445 ( 7.759 0.000 -2.946) 8.300 8.519 ( -2.502 0.000 4.830) 5.440 8.615 ( 3.200 0.000 2.510) 4.067 9.874 ( -3.288 0.000 -5.850) 6.710 9.903 ( -4.801 0.000 1.807) 5.130 10.137 ( -2.600 0.000 3.230) 4.146 10.158 ( 0.872 0.000 -2.055) 2.232 12.607 ( -0.208 0.000 0.454) 0.499 12.658 ( 0.660 0.000 2.386) 2.475 12.897 ( 2.315 0.000 -4.030) 4.648 12.945 ( 0.827 0.000 4.417) 4.494 13.294 ( -3.328 0.000 -4.157) 5.325 13.443 ( -1.355 0.000 -0.798) 1.573 13.547 ( 1.315 0.000 0.855) 1.569 13.700 ( 0.051 0.000 -1.319) 1.320 13.777 ( -0.681 0.000 -1.655) 1.790 13.854 ( 5.903 0.000 0.898) 5.971 16.947 ( -1.798 0.000 -0.093) 1.801 17.073 ( 2.991 0.000 0.288) 3.005 22.918 ( 0.684 0.000 0.343) 0.765 22.932 ( 1.172 0.000 0.488) 1.270 24.771 ( -0.238 0.000 -0.953) 0.983 24.784 ( -0.153 0.000 1.328) 1.337 26.080 ( -1.368 0.000 -2.656) 2.988 26.107 ( -1.510 0.000 1.485) 2.118 26.269 ( -4.364 0.000 2.652) 5.107 26.292 ( -2.674 0.000 -0.451) 2.712 26.350 ( -1.177 0.000 -3.810) 3.988 26.494 ( -1.580 0.000 -0.602) 1.691 26.647 ( 0.844 0.000 2.296) 2.446 26.665 ( 3.061 0.000 -5.170) 6.008 26.844 ( -3.592 0.000 4.210) 5.534 27.288 ( 8.594 0.000 1.872) 8.795======================= Grid point 97 (50/69) =======================q-point: (-0.22 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.596 ( -13.997 0.000 6.645) 15.495 0.623 ( -14.992 0.000 7.609) 16.812 1.032 ( -1.781 0.000 3.202) 3.664 1.062 ( -15.269 0.000 9.828) 18.159 1.108 ( 1.886 0.000 5.841) 6.138 1.116 ( -2.212 0.000 5.060) 5.523 1.247 ( -2.676 0.000 -0.335) 2.697 1.330 ( -0.397 0.000 -1.996) 2.035 1.355 ( 0.166 0.000 -1.325) 1.336 1.409 ( -7.928 0.000 0.133) 7.929 1.472 ( -4.788 0.000 -0.010) 4.788 1.590 ( -1.684 0.000 -5.495) 5.748 1.694 ( -3.446 0.000 -5.028) 6.095 1.710 ( 1.707 0.000 3.071) 3.514 1.822 ( -0.427 0.000 -1.787) 1.838 1.854 ( 1.902 0.000 -2.812) 3.395 1.871 ( 2.910 0.000 -3.483) 4.539 1.901 ( 6.332 0.000 4.573) 7.811 1.916 ( -0.559 0.000 0.907) 1.066 1.973 ( 3.065 0.000 0.444) 3.097 2.060 ( -1.082 0.000 2.318) 2.558 2.067 ( -1.099 0.000 -0.851) 1.390 2.159 ( -0.182 0.000 -2.218) 2.225 2.159 ( -5.111 0.000 2.567) 5.719 2.237 ( 1.495 0.000 -0.859) 1.724 2.289 ( 1.726 0.000 -6.366) 6.596 2.306 ( -1.474 0.000 3.214) 3.536 2.384 ( 1.224 0.000 1.544) 1.970 2.464 ( 0.190 0.000 2.016) 2.025 2.510 ( 0.342 0.000 -2.640) 2.662 2.537 ( -0.756 0.000 0.797) 1.099 2.668 ( 4.552 0.000 -1.216) 4.712 2.716 ( 3.531 0.000 0.186) 3.536 2.735 ( 4.248 0.000 1.320) 4.448 2.743 ( 0.776 0.000 0.654) 1.015 2.898 ( 2.719 0.000 -2.569) 3.741 2.911 ( -1.359 0.000 4.432) 4.635 3.034 ( 4.009 0.000 1.755) 4.376 3.146 ( -0.399 0.000 0.461) 0.610 3.204 ( 3.584 0.000 -0.491) 3.617 3.565 ( -2.570 0.000 -0.935) 2.735 3.691 ( 1.318 0.000 4.616) 4.800 3.809 ( 4.012 0.000 5.457) 6.773 3.891 ( 3.697 0.000 -1.908) 4.160 4.189 ( -0.071 0.000 -0.038) 0.080 4.202 ( -1.974 0.000 -0.324) 2.000 4.321 ( -2.809 0.000 -14.615) 14.882 4.383 ( -1.281 0.000 1.538) 2.001 4.566 ( -6.152 0.000 5.041) 7.954 4.909 ( 0.221 0.000 -1.225) 1.244 4.937 ( -1.460 0.000 -4.523) 4.752 5.096 ( 5.061 0.000 -0.794) 5.123 5.196 ( 0.677 0.000 -2.833) 2.913 5.772 ( 5.912 0.000 -2.116) 6.279 7.816 ( 0.273 0.000 0.625) 0.682 8.044 ( -0.520 0.000 -0.215) 0.563 8.132 ( -3.090 0.000 3.639) 4.774 8.532 ( -3.591 0.000 5.513) 6.579 8.540 ( 7.363 0.000 -2.226) 7.692 8.681 ( 2.167 0.000 -0.067) 2.168 9.749 ( -3.617 0.000 -5.452) 6.543 9.816 ( -6.172 0.000 -1.142) 6.277 10.119 ( -3.556 0.000 2.118) 4.139 10.152 ( 0.834 0.000 -1.831) 2.012 12.630 ( 0.213 0.000 2.521) 2.530 12.688 ( -0.497 0.000 2.043) 2.102 12.908 ( 3.733 0.000 -2.421) 4.449 12.990 ( -0.878 0.000 2.465) 2.617 13.221 ( 0.207 0.000 0.506) 0.547 13.418 ( -1.316 0.000 1.925) 2.332 13.605 ( 3.838 0.000 1.070) 3.984 13.687 ( -0.194 0.000 0.931) 0.951 13.731 ( -1.135 0.000 -3.705) 3.875 13.947 ( 5.754 0.000 -2.288) 6.192 16.932 ( -0.828 0.000 1.321) 1.558 17.115 ( 2.412 0.000 -0.694) 2.509 22.953 ( 2.073 0.000 2.779) 3.467 22.964 ( 1.361 0.000 1.607) 2.106 24.757 ( -0.276 0.000 -0.595) 0.656 24.795 ( -0.354 0.000 1.188) 1.239 26.033 ( -0.905 0.000 -1.668) 1.898 26.092 ( -2.444 0.000 1.410) 2.822 26.233 ( -3.497 0.000 1.807) 3.936 26.238 ( -3.100 0.000 -3.735) 4.854 26.285 ( -2.389 0.000 -0.222) 2.400 26.384 ( -7.110 0.000 -2.486) 7.532 26.656 ( 2.450 0.000 -4.690) 5.291 26.685 ( 1.960 0.000 -0.268) 1.979 26.933 ( 3.601 0.000 8.009) 8.781 27.412 ( 5.903 0.000 -0.679) 5.942======================= Grid point 98 (51/69) =======================q-point: (-0.11 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.512 ( -9.424 0.000 11.901) 15.180 0.575 ( -4.903 0.000 15.350) 16.114 1.022 ( -3.077 0.000 1.449) 3.401 1.046 ( -7.540 0.000 16.322) 17.980 1.118 ( -7.175 0.000 -1.152) 7.266 1.128 ( -2.710 0.000 0.056) 2.711 1.204 ( -1.815 0.000 2.297) 2.927 1.299 ( -0.204 0.000 -1.434) 1.448 1.324 ( 0.821 0.000 5.672) 5.731 1.425 ( -1.995 0.000 0.041) 1.995 1.427 ( 3.312 0.000 1.309) 3.561 1.481 ( -2.040 0.000 -6.975) 7.267 1.572 ( -3.056 0.000 -4.940) 5.809 1.697 ( -2.609 0.000 -3.739) 4.559 1.762 ( 0.476 0.000 -3.018) 3.055 1.811 ( -0.047 0.000 -3.262) 3.263 1.910 ( 2.273 0.000 0.238) 2.286 1.923 ( -0.571 0.000 -0.866) 1.037 1.949 ( 3.772 0.000 -3.423) 5.094 2.029 ( -1.240 0.000 -0.113) 1.245 2.039 ( -2.877 0.000 -0.112) 2.879 2.106 ( -0.533 0.000 -2.122) 2.188 2.150 ( -0.752 0.000 3.817) 3.891 2.158 ( 3.529 0.000 2.203) 4.160 2.265 ( 3.801 0.000 -5.301) 6.523 2.269 ( 1.164 0.000 1.356) 1.787 2.310 ( -2.229 0.000 1.324) 2.592 2.389 ( 0.179 0.000 -3.943) 3.947 2.475 ( -1.782 0.000 -0.068) 1.783 2.499 ( -1.676 0.000 2.310) 2.854 2.535 ( -1.050 0.000 0.617) 1.218 2.645 ( -1.186 0.000 -3.221) 3.432 2.717 ( 4.020 0.000 -1.188) 4.192 2.802 ( 3.847 0.000 0.793) 3.928 2.886 ( 5.014 0.000 4.108) 6.482 2.910 ( 2.011 0.000 -1.831) 2.720 2.928 ( -1.802 0.000 2.578) 3.145 3.069 ( 1.149 0.000 -1.311) 1.744 3.176 ( 2.000 0.000 2.440) 3.155 3.259 ( 2.906 0.000 -0.389) 2.932 3.530 ( -0.547 0.000 -0.023) 0.547 3.723 ( -1.683 0.000 1.448) 2.220 3.924 ( 3.190 0.000 -2.175) 3.862 3.939 ( -10.261 0.000 -4.807) 11.332 4.124 ( 12.537 0.000 0.760) 12.560 4.212 ( 1.068 0.000 2.175) 2.423 4.230 ( 4.030 0.000 1.768) 4.401 4.355 ( -2.115 0.000 -0.094) 2.117 4.532 ( -5.843 0.000 3.661) 6.896 4.772 ( -5.283 0.000 -10.372) 11.640 4.948 ( -0.517 0.000 4.945) 4.972 5.164 ( -0.319 0.000 -2.370) 2.392 5.211 ( 6.917 0.000 3.163) 7.606 5.734 ( -2.124 0.000 -7.963) 8.241 7.855 ( 1.654 0.000 3.742) 4.091 8.038 ( -0.070 0.000 -0.042) 0.081 8.171 ( 0.485 0.000 7.558) 7.573 8.527 ( -4.383 0.000 4.079) 5.988 8.589 ( 2.752 0.000 -3.931) 4.799 8.664 ( -0.148 0.000 -5.703) 5.705 9.661 ( -0.787 0.000 -3.032) 3.133 9.708 ( -5.052 0.000 -1.030) 5.156 10.084 ( -3.184 0.000 1.473) 3.509 10.133 ( 0.010 0.000 -2.490) 2.490 12.637 ( -1.296 0.000 0.783) 1.514 12.684 ( -1.623 0.000 0.409) 1.674 12.952 ( 4.030 0.000 -1.051) 4.165 12.994 ( -1.044 0.000 1.833) 2.110 13.338 ( 6.847 0.000 5.141) 8.562 13.460 ( 0.697 0.000 6.185) 6.224 13.643 ( -3.948 0.000 -0.193) 3.953 13.704 ( 6.847 0.000 -2.958) 7.458 13.725 ( 2.557 0.000 1.222) 2.834 13.954 ( 1.116 0.000 -6.705) 6.797 16.960 ( 0.872 0.000 3.606) 3.710 17.128 ( 1.120 0.000 -1.921) 2.224 23.009 ( 0.935 0.000 2.753) 2.907 23.051 ( 5.819 0.000 1.615) 6.039 24.755 ( 0.507 0.000 0.100) 0.517 24.796 ( -0.978 0.000 0.644) 1.171 26.026 ( 1.441 0.000 -0.020) 1.441 26.071 ( -1.385 0.000 0.660) 1.534 26.128 ( -5.190 0.000 -1.615) 5.435 26.181 ( -5.508 0.000 0.570) 5.537 26.263 ( -1.504 0.000 0.778) 1.694 26.283 ( -2.186 0.000 -1.093) 2.444 26.635 ( 0.923 0.000 -3.155) 3.288 26.684 ( -0.146 0.000 -2.569) 2.573 27.091 ( 3.575 0.000 8.624) 9.336 27.448 ( 2.835 0.000 -5.076) 5.814======================= Grid point 99 (52/69) =======================q-point: ( 0.00 0.20 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.681 ( 3.375 4.733 10.708) 12.184 0.803 ( -0.438 5.038 13.052) 13.997 0.892 ( -3.533 0.863 -7.756) 8.566 1.038 ( -1.760 0.474 -2.477) 3.075 1.078 ( -0.731 0.895 -2.516) 2.768 1.141 ( 2.389 -1.198 -2.122) 3.413 1.234 ( 1.536 -4.103 3.339) 5.508 1.316 ( -1.182 -0.818 8.918) 9.033 1.320 ( -1.725 -0.695 -2.067) 2.780 1.428 ( -0.360 2.214 0.917) 2.423 1.466 ( -0.721 -0.618 -1.712) 1.957 1.487 ( -0.335 0.281 -3.409) 3.437 1.540 ( 2.051 3.822 4.317) 6.120 1.618 ( 0.311 1.701 -1.584) 2.345 1.682 ( -3.156 -3.201 0.284) 4.505 1.733 ( 1.797 -2.415 -3.104) 4.324 1.840 ( 0.758 -4.787 1.422) 5.051 1.907 ( -0.748 -2.418 -3.279) 4.142 1.974 ( -0.326 0.842 2.309) 2.479 2.004 ( 0.625 -0.726 0.458) 1.062 2.017 ( -2.100 -0.488 2.086) 3.000 2.074 ( 0.217 -1.230 -2.092) 2.437 2.134 ( -0.550 -2.940 -0.044) 2.991 2.186 ( 1.695 -0.292 -2.454) 2.996 2.222 ( -0.390 -0.236 -1.013) 1.111 2.260 ( -1.754 0.435 -2.541) 3.118 2.353 ( 3.038 2.710 1.355) 4.291 2.390 ( -1.821 4.319 -2.589) 5.354 2.485 ( 2.180 -0.470 2.638) 3.454 2.496 ( -1.043 -0.726 2.487) 2.793 2.544 ( -1.254 4.919 0.807) 5.141 2.593 ( 0.209 1.924 -3.398) 3.910 2.781 ( 2.826 -2.167 2.619) 4.420 2.821 ( -2.391 -0.496 -1.012) 2.643 2.884 ( -2.171 -2.901 0.413) 3.647 2.898 ( 2.617 -1.982 -1.154) 3.480 2.961 ( 1.789 -1.601 3.297) 4.079 3.030 ( -1.102 -1.793 -3.068) 3.720 3.182 ( -0.346 -1.914 1.760) 2.623 3.221 ( 1.305 -2.738 -1.700) 3.477 3.534 ( 1.068 -2.641 1.158) 3.075 3.547 ( -3.629 -3.893 0.084) 5.322 3.902 ( 0.606 4.545 4.687) 6.557 3.989 ( 0.001 2.906 -2.058) 3.561 4.107 ( 2.316 -4.863 -1.976) 5.738 4.117 ( -2.209 -5.183 -1.554) 5.845 4.326 ( 0.580 -4.253 4.117) 5.948 4.371 ( -2.791 -4.799 0.589) 5.583 4.678 ( 0.825 9.670 -1.586) 9.834 4.721 ( 0.412 10.373 -5.366) 11.686 4.997 ( 1.672 -1.661 4.047) 4.683 5.070 ( -1.506 -3.379 -2.635) 4.542 5.421 ( 4.045 3.781 6.127) 8.258 5.600 ( -3.445 2.435 -10.873) 11.663 7.934 ( 3.562 -1.738 3.069) 5.012 7.988 ( -2.532 -2.790 -1.988) 4.260 8.367 ( 2.282 3.277 9.134) 9.969 8.483 ( -4.075 -1.641 1.632) 4.686 8.536 ( -0.048 0.437 -1.734) 1.789 8.626 ( 0.676 4.951 -6.623) 8.296 9.630 ( -0.554 -1.074 -0.534) 1.321 9.647 ( 0.814 -0.889 -2.056) 2.383 10.083 ( -0.840 1.457 1.660) 2.363 10.117 ( 0.681 0.620 -1.515) 1.773 12.659 ( 0.687 1.431 0.935) 1.843 12.676 ( -0.638 1.426 -0.602) 1.674 13.000 ( -1.869 1.646 1.851) 3.104 13.030 ( 2.492 2.675 -0.949) 3.777 13.403 ( 1.778 -8.905 7.662) 11.881 13.488 ( -0.831 -0.891 3.561) 3.764 13.533 ( -4.167 -2.733 -3.427) 6.048 13.626 ( 3.775 -5.215 -7.773) 10.093 13.861 ( 1.502 2.136 -1.056) 2.816 13.872 ( -1.776 1.377 -2.785) 3.579 17.084 ( 0.714 4.697 4.496) 6.541 17.160 ( -0.080 3.812 -2.527) 4.574 23.067 ( -0.154 1.782 3.067) 3.550 23.131 ( 1.107 1.190 -3.034) 3.442 24.777 ( 0.898 0.145 0.522) 1.049 24.782 ( -0.820 0.159 0.034) 0.836 26.059 ( -1.831 -0.792 0.704) 2.116 26.064 ( 3.226 -1.004 0.872) 3.489 26.074 ( 2.302 -0.020 -0.879) 2.465 26.089 ( -2.504 -0.457 -1.251) 2.836 26.275 ( -2.087 1.858 1.137) 3.016 26.299 ( 1.742 2.032 -0.921) 2.831 26.587 ( 0.926 -2.782 -0.103) 2.934 26.611 ( -2.298 -2.608 -1.886) 3.955 27.240 ( 0.874 1.377 6.971) 7.160 27.366 ( -1.062 -1.914 -4.623) 5.115======================= Grid point 100 (53/69) =======================q-point: ( 0.11 0.20 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.795 ( 5.672 3.652 -8.285) 10.684 0.897 ( 6.064 1.355 4.779) 7.839 0.961 ( 4.406 4.578 -2.576) 6.856 0.972 ( 2.472 2.179 6.268) 7.082 1.082 ( -0.739 -1.999 3.769) 4.330 1.161 ( 4.318 -1.291 -3.573) 5.751 1.250 ( -0.937 -4.711 -3.688) 6.056 1.313 ( 2.592 -2.191 4.221) 5.417 1.388 ( -1.341 -0.226 -0.477) 1.441 1.426 ( -1.619 -0.437 1.105) 2.009 1.443 ( 2.990 -2.148 1.511) 3.979 1.503 ( 3.602 1.944 0.610) 4.138 1.581 ( 0.959 1.799 -4.205) 4.673 1.600 ( 1.055 5.105 1.410) 5.400 1.665 ( -1.721 -2.497 3.484) 4.619 1.768 ( 5.028 -2.157 -1.746) 5.743 1.822 ( -3.089 -2.773 -1.453) 4.398 1.870 ( -1.305 1.046 0.536) 1.757 1.967 ( -0.803 -0.679 -0.815) 1.331 2.024 ( -1.308 -2.214 2.121) 3.334 2.049 ( -0.070 1.754 2.670) 3.195 2.055 ( 1.468 -1.587 -0.449) 2.208 2.136 ( -1.784 -0.933 0.434) 2.060 2.162 ( 2.056 -4.085 -1.551) 4.830 2.230 ( 1.493 -0.714 -0.020) 1.655 2.273 ( 2.454 2.071 1.907) 3.735 2.320 ( -2.727 4.107 -2.386) 5.478 2.422 ( 3.201 2.955 0.575) 4.394 2.473 ( -2.221 -3.042 -1.424) 4.026 2.524 ( 0.772 2.079 -1.237) 2.539 2.563 ( 0.730 1.345 3.345) 3.679 2.591 ( 2.728 3.544 -1.110) 4.608 2.734 ( -5.721 -0.555 -1.769) 6.014 2.820 ( -1.640 -3.269 1.824) 4.087 2.846 ( -2.121 -1.311 -0.549) 2.554 2.925 ( 1.439 -1.004 -0.744) 1.906 2.964 ( -1.652 -2.147 -3.188) 4.183 3.016 ( 0.451 -1.236 2.626) 2.937 3.177 ( -0.715 -1.936 -0.407) 2.104 3.226 ( 1.138 -1.934 -1.111) 2.504 3.498 ( -2.048 -1.539 1.118) 2.795 3.608 ( 3.671 -4.813 2.113) 6.412 3.908 ( -3.550 2.181 -2.953) 5.107 3.973 ( 0.672 3.306 2.873) 4.432 4.066 ( -1.422 -1.497 -0.938) 2.268 4.148 ( 2.508 -4.806 0.325) 5.431 4.330 ( -1.230 -4.048 -0.883) 4.322 4.401 ( 0.807 -5.545 2.904) 6.311 4.582 ( -4.911 12.760 0.218) 13.674 4.752 ( 3.213 6.728 -0.704) 7.489 5.015 ( -0.563 -2.341 -2.619) 3.558 5.071 ( 1.811 -2.478 2.363) 3.874 5.386 ( -8.309 3.965 -7.641) 11.964 5.543 ( 0.501 -0.618 7.220) 7.263 7.917 ( -1.197 -1.286 -2.139) 2.768 8.043 ( 4.734 -0.669 0.502) 4.807 8.382 ( -4.782 1.270 -6.501) 8.169 8.493 ( -0.884 1.718 7.311) 7.562 8.506 ( -1.114 -0.078 2.937) 3.142 8.624 ( 4.521 2.083 -2.269) 5.471 9.615 ( 0.273 -0.350 0.327) 0.551 9.694 ( 5.160 -1.115 -0.357) 5.291 10.078 ( -0.899 0.494 0.766) 1.281 10.135 ( 2.456 0.937 -0.566) 2.689 12.664 ( 0.485 1.309 -0.331) 1.435 12.695 ( 2.142 0.990 0.286) 2.377 12.966 ( -3.782 2.183 0.567) 4.403 13.048 ( 1.232 1.923 -1.578) 2.776 13.393 ( -4.794 -4.630 -3.936) 7.740 13.480 ( -3.997 -6.837 7.045) 10.599 13.573 ( 1.411 -2.213 -6.440) 6.954 13.576 ( 4.305 -2.075 2.937) 5.609 13.807 ( -3.856 2.700 -0.473) 4.731 13.865 ( -0.962 0.133 0.766) 1.237 17.100 ( -2.287 4.415 -3.858) 6.293 17.121 ( -1.503 3.664 2.841) 4.874 23.069 ( -2.517 1.844 0.237) 3.129 23.095 ( -1.433 1.564 -1.429) 2.557 24.763 ( -0.908 0.450 -0.197) 1.033 24.800 ( 0.985 -0.243 0.087) 1.018 26.040 ( -1.098 0.473 -1.251) 1.731 26.068 ( 1.932 -1.156 0.340) 2.277 26.114 ( 3.848 -0.162 -0.885) 3.951 26.164 ( 7.512 -1.255 0.228) 7.620 26.260 ( -1.345 1.186 1.028) 2.067 26.324 ( 2.536 1.860 -0.578) 3.198 26.564 ( -1.598 -2.444 -0.037) 2.920 26.628 ( 2.010 -1.387 2.043) 3.184 27.255 ( -4.876 -0.590 -6.090) 7.824 27.297 ( -3.101 -0.878 6.105) 6.903======================= Grid point 101 (54/69) =======================q-point: ( 0.22 0.20 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.864 ( 10.467 6.096 -7.349) 14.167 0.893 ( 7.393 7.484 -7.227) 12.763 1.058 ( 2.547 -0.728 1.137) 2.883 1.085 ( 2.758 -1.824 -1.170) 3.507 1.129 ( 0.134 -2.369 5.816) 6.281 1.196 ( 2.449 -2.109 -4.426) 5.481 1.228 ( 1.594 -2.124 2.484) 3.636 1.341 ( 1.701 -1.099 -3.680) 4.200 1.417 ( 4.187 0.561 3.168) 5.280 1.446 ( 0.778 0.706 2.646) 2.847 1.473 ( 1.492 0.412 -0.508) 1.629 1.559 ( 4.560 4.862 -2.913) 7.275 1.629 ( 5.506 0.209 -0.260) 5.516 1.647 ( 3.755 -2.481 2.571) 5.183 1.697 ( -0.412 -1.195 3.579) 3.795 1.737 ( -1.534 -2.077 0.779) 2.697 1.838 ( -0.330 0.916 1.168) 1.521 1.868 ( 0.793 0.922 0.500) 1.315 1.962 ( 1.013 -1.224 0.423) 1.644 2.008 ( -5.897 -2.246 -2.498) 6.787 2.038 ( -0.890 -1.104 1.727) 2.235 2.056 ( -0.536 0.955 2.220) 2.476 2.121 ( 1.078 -0.174 -0.950) 1.447 2.211 ( 1.912 -2.627 -0.300) 3.263 2.229 ( -2.074 3.104 -2.391) 4.433 2.263 ( 0.774 -0.119 0.829) 1.140 2.354 ( 2.171 2.363 2.610) 4.137 2.429 ( -0.629 -4.044 0.093) 4.094 2.459 ( 0.597 -0.164 0.341) 0.706 2.500 ( -0.716 1.810 -3.327) 3.855 2.539 ( -3.307 0.165 -4.020) 5.208 2.620 ( -0.703 -0.031 2.567) 2.662 2.687 ( 0.681 -0.021 -0.193) 0.708 2.786 ( -4.355 -0.312 2.140) 4.863 2.799 ( -2.148 1.695 -2.026) 3.405 2.879 ( -2.545 -0.280 -1.412) 2.924 2.957 ( 1.500 -1.960 -1.707) 3.001 3.036 ( -0.737 -0.407 1.530) 1.746 3.161 ( 0.475 -0.004 -2.195) 2.246 3.224 ( 0.039 -0.531 -1.132) 1.251 3.497 ( -0.472 -1.362 1.934) 2.412 3.670 ( 0.670 -7.309 1.347) 7.462 3.818 ( -2.142 3.582 -2.469) 4.849 4.024 ( -3.584 3.780 0.139) 5.211 4.043 ( 2.942 1.402 3.243) 4.598 4.184 ( 1.920 -3.138 0.147) 3.682 4.272 ( -3.628 0.029 -2.416) 4.359 4.384 ( -1.716 -2.125 0.734) 2.828 4.626 ( 4.700 2.210 2.987) 5.992 4.788 ( -0.118 3.285 2.626) 4.207 4.990 ( 0.946 -1.025 -2.401) 2.777 5.096 ( -1.986 -3.813 0.476) 4.326 5.201 ( -6.098 6.256 -1.484) 8.862 5.609 ( -2.719 -5.062 6.731) 8.850 7.891 ( -0.241 2.923 -1.918) 3.504 8.085 ( 1.985 2.313 -1.517) 3.405 8.246 ( -2.369 3.488 -4.357) 6.063 8.493 ( -5.636 1.750 4.693) 7.540 8.579 ( 1.662 -5.569 3.526) 6.797 8.662 ( 5.192 -0.305 -5.023) 7.231 9.654 ( 1.776 0.831 3.420) 3.943 9.782 ( 5.663 -0.567 0.510) 5.714 10.084 ( 0.165 -1.151 1.143) 1.631 10.164 ( 2.233 -0.142 -1.113) 2.499 12.674 ( 1.063 0.874 -0.910) 1.650 12.726 ( 1.978 0.276 -0.723) 2.124 12.908 ( -4.023 2.316 0.637) 4.685 13.034 ( 0.412 0.265 -2.545) 2.592 13.304 ( -1.840 0.830 -2.140) 2.942 13.465 ( -3.932 -0.404 0.861) 4.045 13.508 ( -1.498 -4.334 -1.365) 4.784 13.684 ( 4.029 -1.406 1.771) 4.620 13.736 ( -4.529 1.687 -0.159) 4.836 13.863 ( -2.399 -1.323 3.968) 4.822 17.019 ( -1.753 3.352 -3.662) 5.265 17.108 ( -2.590 1.462 0.873) 3.100 23.016 ( -2.083 1.932 -1.947) 3.443 23.049 ( -3.107 2.544 -0.681) 4.073 24.753 ( -0.184 0.417 0.017) 0.457 24.808 ( 0.428 -0.596 -0.529) 0.904 26.028 ( 0.792 0.859 -0.305) 1.208 26.114 ( 2.873 -1.651 0.613) 3.369 26.167 ( 4.042 0.220 -0.995) 4.168 26.254 ( -0.572 0.426 0.556) 0.905 26.286 ( 7.131 -0.762 -0.583) 7.195 26.375 ( 4.185 1.496 1.138) 4.588 26.556 ( -0.716 -0.921 1.602) 1.982 26.684 ( 1.037 1.204 2.939) 3.341 27.088 ( -6.258 -0.900 -7.131) 9.530 27.291 ( -4.906 -4.176 4.046) 7.608======================= Grid point 102 (55/69) =======================q-point: ( 0.33 0.20 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.890 ( 7.021 4.183 -7.147) 10.857 0.972 ( 7.416 2.700 -7.604) 10.959 1.045 ( -0.080 -0.798 -5.369) 5.428 1.104 ( 1.254 0.117 -0.040) 1.260 1.165 ( 2.505 -0.502 -1.883) 3.174 1.207 ( 0.851 -2.777 2.505) 3.835 1.267 ( 0.829 1.189 1.221) 1.895 1.371 ( 2.725 0.180 0.429) 2.764 1.432 ( 1.957 1.180 -1.412) 2.686 1.534 ( 3.026 -0.289 3.645) 4.746 1.562 ( 2.840 -1.020 1.568) 3.401 1.611 ( 2.960 -1.111 1.154) 3.366 1.648 ( 1.493 0.316 -1.775) 2.341 1.695 ( 1.769 1.985 -1.226) 2.928 1.749 ( 0.204 0.026 5.805) 5.809 1.817 ( -0.298 2.733 1.355) 3.065 1.837 ( -2.781 -0.851 -2.544) 3.864 1.860 ( 3.463 0.056 4.780) 5.902 1.902 ( 1.741 -1.123 -1.852) 2.779 1.982 ( 1.412 0.000 -0.578) 1.526 2.029 ( -1.380 -1.574 0.860) 2.264 2.103 ( 0.675 0.349 1.719) 1.879 2.130 ( 0.397 -0.365 1.182) 1.299 2.158 ( -2.290 1.855 1.676) 3.391 2.242 ( 1.319 -2.132 -2.171) 3.316 2.261 ( -1.216 -1.796 -1.077) 2.421 2.378 ( -0.467 1.576 -1.250) 2.065 2.424 ( -2.348 -2.198 -2.901) 4.331 2.443 ( -1.693 -1.514 -0.301) 2.291 2.482 ( 2.752 -1.998 2.268) 4.088 2.502 ( 1.546 3.258 1.366) 3.856 2.589 ( -4.341 0.701 -0.867) 4.482 2.665 ( -2.073 -4.168 -1.102) 4.783 2.743 ( -1.112 2.970 -3.044) 4.396 2.752 ( -2.242 5.175 0.577) 5.669 2.853 ( -1.335 -0.013 1.429) 1.956 2.949 ( 1.614 -1.946 -3.293) 4.152 2.994 ( -5.655 1.619 -2.787) 6.509 3.141 ( 1.187 0.195 -1.670) 2.058 3.219 ( 0.971 1.769 -0.765) 2.159 3.524 ( 0.319 -2.777 2.603) 3.820 3.657 ( -1.265 -3.742 -0.952) 4.063 3.800 ( 0.650 3.489 0.148) 3.552 3.943 ( -3.907 6.242 -2.084) 7.654 4.125 ( 1.069 -2.324 2.979) 3.926 4.206 ( 1.514 -3.521 -0.767) 3.908 4.251 ( 0.390 0.393 3.906) 3.945 4.369 ( -0.912 -5.324 -0.933) 5.482 4.731 ( 6.721 0.725 -0.516) 6.779 4.807 ( -3.074 0.735 5.293) 6.165 4.985 ( 1.159 -0.123 -1.482) 1.885 5.033 ( -4.602 0.153 1.291) 4.782 5.175 ( -1.125 3.889 3.364) 5.264 5.596 ( -6.142 -5.474 2.652) 8.644 7.859 ( -0.140 3.699 -1.645) 4.051 8.076 ( 0.336 -0.282 -3.882) 3.906 8.219 ( 0.647 4.556 0.755) 4.663 8.442 ( -5.189 2.717 2.710) 6.454 8.614 ( -0.663 -3.753 0.739) 3.882 8.665 ( 4.140 -0.404 -7.012) 8.153 9.738 ( 1.745 0.719 5.926) 6.220 9.877 ( 4.826 -1.227 1.271) 5.139 10.100 ( -0.236 -1.609 1.312) 2.090 10.179 ( 1.947 -1.469 -1.983) 3.143 12.663 ( 0.258 1.272 -2.336) 2.673 12.736 ( 0.839 0.879 -2.017) 2.355 12.865 ( -2.999 2.249 1.667) 4.103 13.013 ( 0.736 -1.579 -2.824) 3.318 13.276 ( -0.064 4.435 -0.462) 4.460 13.423 ( -1.182 -0.120 0.943) 1.517 13.493 ( -0.983 -2.762 1.463) 3.276 13.656 ( -3.982 -3.444 -1.822) 5.571 13.751 ( 2.246 1.216 1.606) 3.017 13.882 ( -1.915 1.000 4.657) 5.133 16.974 ( 0.196 1.579 -1.877) 2.460 17.070 ( -2.422 -0.285 -0.469) 2.484 22.969 ( -1.124 2.053 -1.699) 2.892 22.992 ( -2.325 2.526 -1.337) 3.685 24.756 ( 0.106 0.204 0.399) 0.461 24.803 ( 0.112 -0.650 -0.958) 1.163 26.055 ( 1.913 0.900 0.995) 2.337 26.160 ( 1.352 -1.820 1.161) 2.547 26.209 ( 2.584 1.569 -0.979) 3.178 26.258 ( 0.892 -1.212 -0.170) 1.514 26.363 ( 3.885 0.695 0.073) 3.948 26.477 ( 4.518 -0.109 2.902) 5.370 26.573 ( 0.236 1.496 1.736) 2.304 26.721 ( -1.114 5.537 2.933) 6.364 26.922 ( -2.589 -4.180 -7.405) 8.889 27.232 ( -6.391 -6.238 0.583) 8.949======================= Grid point 103 (56/69) =======================q-point: ( 0.44 0.20 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.889 ( 1.586 -0.125 -5.300) 5.533 0.924 ( -1.910 0.105 -6.208) 6.496 1.056 ( 6.999 0.981 -1.046) 7.145 1.120 ( 0.300 0.747 0.744) 1.097 1.181 ( 3.220 3.106 -3.756) 5.841 1.214 ( -2.564 -2.958 -0.441) 3.939 1.300 ( 0.207 -0.654 3.186) 3.259 1.382 ( 0.341 -1.683 -0.983) 1.979 1.508 ( 1.213 -2.700 0.647) 3.030 1.534 ( -2.768 -1.057 3.017) 4.229 1.575 ( -0.907 2.855 1.767) 3.478 1.601 ( -0.920 -3.608 -3.106) 4.849 1.667 ( 1.436 1.881 -2.540) 3.471 1.679 ( 0.263 0.211 -2.012) 2.040 1.786 ( -0.466 -1.123 1.987) 2.330 1.859 ( 3.607 -0.961 6.271) 7.298 1.892 ( 1.540 0.012 2.355) 2.814 1.950 ( 3.659 1.279 3.177) 5.012 1.974 ( 3.382 0.339 1.472) 3.704 2.033 ( 5.228 -0.212 -1.696) 5.500 2.051 ( 2.760 -0.523 1.544) 3.206 2.079 ( -2.288 1.950 0.631) 3.072 2.132 ( -1.139 0.185 -0.143) 1.163 2.155 ( -4.768 -1.787 0.606) 5.127 2.229 ( 1.666 -1.107 -1.903) 2.761 2.236 ( 0.525 2.075 3.521) 4.121 2.340 ( -1.465 0.332 -3.441) 3.754 2.357 ( -2.045 -1.540 -2.027) 3.265 2.412 ( -1.489 -1.179 -1.124) 2.207 2.479 ( -4.488 0.699 -3.210) 5.562 2.553 ( 0.261 2.230 1.963) 2.982 2.577 ( 4.215 -0.899 1.949) 4.730 2.628 ( -2.834 -2.968 1.282) 4.300 2.680 ( -0.838 2.925 -4.334) 5.295 2.736 ( 1.192 4.059 -0.929) 4.331 2.824 ( -6.518 0.676 -0.990) 6.627 2.868 ( -1.104 3.456 -0.324) 3.642 2.944 ( 2.382 -0.725 -3.605) 4.381 3.162 ( 1.914 0.243 0.038) 1.929 3.216 ( -0.204 1.615 -1.520) 2.227 3.558 ( 0.226 -3.471 2.502) 4.285 3.631 ( -0.644 -1.844 -1.272) 2.331 3.821 ( 1.426 2.818 0.405) 3.184 3.871 ( -2.895 4.500 -1.077) 5.458 4.162 ( 1.337 -3.006 1.766) 3.734 4.221 ( 0.359 -4.360 -0.352) 4.389 4.298 ( 0.778 -1.701 0.995) 2.119 4.341 ( -1.510 -3.822 0.035) 4.110 4.778 ( -4.247 -0.193 5.444) 6.907 4.860 ( 6.482 -0.074 -1.839) 6.739 4.986 ( -3.742 1.342 3.244) 5.131 5.008 ( 3.200 0.265 -1.946) 3.755 5.230 ( 1.680 3.895 6.318) 7.610 5.486 ( -7.163 -1.979 -2.454) 7.826 7.871 ( 2.561 0.664 0.247) 2.657 8.008 ( -1.580 -4.131 -5.621) 7.152 8.259 ( 0.653 4.767 3.855) 6.165 8.404 ( -2.265 4.710 0.086) 5.227 8.584 ( -2.305 0.361 -0.409) 2.369 8.641 ( 2.187 0.923 -5.618) 6.099 9.831 ( 0.630 -0.531 6.430) 6.483 9.945 ( 2.342 -2.327 -0.132) 3.304 10.107 ( -0.833 -0.964 1.784) 2.192 10.178 ( 1.193 -1.935 -2.517) 3.392 12.646 ( 0.385 2.229 -1.088) 2.510 12.705 ( -0.475 1.959 -3.276) 3.847 12.858 ( -1.058 1.727 2.790) 3.448 12.979 ( -0.066 -0.484 -4.070) 4.099 13.309 ( 2.594 0.010 2.914) 3.901 13.425 ( -2.681 1.283 2.441) 3.846 13.518 ( 4.053 -3.068 -1.256) 5.236 13.563 ( -4.992 -6.532 -1.444) 8.347 13.812 ( 2.267 3.168 2.872) 4.840 13.893 ( -1.502 3.566 1.585) 4.181 16.977 ( 1.536 0.179 -0.297) 1.575 17.026 ( -1.926 -0.666 -1.075) 2.304 22.943 ( -0.131 1.952 -1.074) 2.232 22.952 ( -0.838 2.125 -1.183) 2.573 24.763 ( -0.045 0.029 0.687) 0.689 24.792 ( 0.064 -0.512 -1.072) 1.190 26.100 ( 1.351 1.313 1.874) 2.657 26.175 ( 0.026 0.149 -0.601) 0.619 26.230 ( 0.271 0.008 1.076) 1.110 26.273 ( 2.001 -2.663 -1.444) 3.630 26.424 ( 1.497 1.697 2.998) 3.756 26.554 ( 0.442 -0.068 3.020) 3.053 26.589 ( 0.082 4.505 -0.907) 4.596 26.679 ( -3.013 2.704 -1.129) 4.203 26.919 ( 7.962 -4.542 -1.487) 9.286 27.100 ( -8.994 -5.562 -2.221) 10.806======================= Grid point 104 (57/69) =======================q-point: (-0.44 0.20 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.814 ( -5.578 0.836 0.331) 5.650 0.877 ( 0.758 0.459 -1.607) 1.835 1.089 ( -7.775 0.280 -3.848) 8.680 1.104 ( -1.545 2.171 2.406) 3.590 1.138 ( -1.238 0.854 0.216) 1.520 1.222 ( 4.415 -2.268 -1.923) 5.323 1.339 ( 0.232 -1.820 3.087) 3.591 1.368 ( -1.061 -0.832 -2.403) 2.755 1.464 ( -3.054 -1.961 3.199) 4.838 1.536 ( -0.823 -0.723 3.801) 3.956 1.595 ( -2.554 -2.829 -1.530) 4.107 1.601 ( -0.082 -1.786 -0.456) 1.845 1.636 ( 1.087 -0.489 -1.486) 1.905 1.665 ( 3.334 -0.588 -0.812) 3.482 1.830 ( -3.915 -0.300 -1.091) 4.075 1.882 ( 1.055 -1.898 0.920) 2.358 1.933 ( -3.758 -0.233 0.568) 3.808 1.960 ( -4.830 0.336 1.828) 5.175 1.988 ( -2.517 -1.103 -0.959) 2.910 2.027 ( -2.309 0.757 0.821) 2.565 2.045 ( 3.174 -0.165 -0.083) 3.180 2.108 ( 0.931 0.516 1.263) 1.652 2.162 ( 1.423 4.613 -3.247) 5.818 2.174 ( 2.456 0.130 1.558) 2.911 2.230 ( -2.171 0.711 -0.215) 2.295 2.266 ( -0.493 1.375 0.889) 1.710 2.288 ( 0.146 -1.093 -2.065) 2.341 2.336 ( 4.237 2.451 0.617) 4.933 2.391 ( 1.174 -0.326 0.741) 1.426 2.437 ( 3.737 -2.858 -1.940) 5.089 2.565 ( -1.385 1.419 2.792) 3.424 2.581 ( -2.350 0.683 0.881) 2.601 2.621 ( 0.502 2.255 -1.888) 2.983 2.685 ( 4.458 -0.924 -0.849) 4.631 2.724 ( -3.024 1.622 -0.436) 3.459 2.791 ( 4.033 1.659 0.599) 4.402 2.870 ( -0.840 1.441 1.658) 2.352 2.934 ( 1.791 0.192 -3.956) 4.347 3.178 ( -1.356 0.677 -0.897) 1.761 3.196 ( 1.301 0.820 -0.280) 1.563 3.583 ( -1.198 -2.691 2.129) 3.634 3.605 ( -0.372 -2.937 -0.936) 3.105 3.827 ( -1.530 3.845 -0.214) 4.143 3.856 ( 2.340 2.629 0.309) 3.533 4.193 ( -1.530 -3.908 -1.194) 4.364 4.211 ( 1.744 -4.048 0.749) 4.471 4.302 ( -2.357 -2.946 0.439) 3.798 4.333 ( 1.542 -3.323 0.358) 3.681 4.765 ( -5.821 2.971 6.118) 8.952 4.904 ( 4.129 -2.155 -4.675) 6.599 4.955 ( -3.821 0.981 2.526) 4.684 5.063 ( 6.360 0.873 -3.517) 7.320 5.312 ( -5.337 1.585 1.535) 5.775 5.422 ( 8.568 2.912 1.445) 9.164 7.912 ( -1.798 -3.256 -3.154) 4.876 7.935 ( 3.012 -2.920 -0.055) 4.195 8.301 ( -3.601 4.999 3.734) 7.204 8.376 ( 2.581 2.468 -1.671) 3.943 8.564 ( -1.526 3.398 2.159) 4.306 8.613 ( 1.217 2.373 -3.152) 4.129 9.891 ( -1.632 -1.627 4.750) 5.279 9.937 ( -0.829 -2.472 -3.094) 4.047 10.119 ( -1.177 -0.756 2.785) 3.117 10.159 ( 0.434 -1.621 -2.737) 3.211 12.653 ( 0.162 2.466 0.579) 2.539 12.662 ( -0.104 2.614 -1.953) 3.265 12.892 ( 0.309 1.009 3.702) 3.849 12.933 ( 0.689 0.640 -4.021) 4.130 13.373 ( -3.252 -0.581 -1.482) 3.621 13.410 ( 4.000 -1.196 2.987) 5.133 13.482 ( -4.447 -5.216 1.007) 6.928 13.580 ( 5.821 -4.844 -2.282) 7.909 13.861 ( -1.817 4.721 -0.428) 5.077 13.887 ( 2.293 4.562 1.343) 5.280 16.981 ( -1.836 -0.329 -0.468) 1.922 17.014 ( 2.573 -0.644 -0.223) 2.662 22.936 ( 0.207 1.948 -0.466) 2.014 22.944 ( 1.099 2.081 -0.519) 2.409 24.770 ( -0.164 -0.119 0.930) 0.952 24.781 ( -0.028 -0.350 -0.979) 1.040 26.127 ( -1.243 2.096 1.674) 2.957 26.152 ( -0.818 0.726 -1.551) 1.898 26.241 ( -0.480 -0.627 1.080) 1.337 26.284 ( 1.902 -3.903 -2.346) 4.935 26.440 ( -6.325 3.706 3.433) 8.095 26.539 ( 1.219 3.205 -1.360) 3.689 26.609 ( 0.118 -0.762 3.949) 4.024 26.677 ( 4.683 1.034 -3.778) 6.105 26.917 ( -10.509 -3.496 -1.564) 11.186 27.064 ( 9.393 -4.300 1.107) 10.390======================= Grid point 105 (58/69) =======================q-point: (-0.33 0.20 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.748 ( -8.098 1.728 6.256) 10.378 0.836 ( -9.575 4.196 2.792) 10.821 0.971 ( 0.211 -0.413 0.327) 0.568 1.101 ( -3.023 1.697 2.339) 4.182 1.123 ( -0.529 1.507 0.542) 1.687 1.223 ( -1.759 -3.070 0.243) 3.546 1.299 ( -2.961 1.108 -1.179) 3.374 1.364 ( -0.794 -0.932 0.906) 1.523 1.449 ( -8.732 1.735 -2.243) 9.181 1.521 ( 1.481 -5.611 3.658) 6.860 1.557 ( -4.629 -0.306 1.432) 4.855 1.603 ( -7.480 3.534 0.012) 8.273 1.634 ( -0.575 -1.190 1.305) 1.857 1.689 ( 3.943 0.548 -0.487) 4.011 1.765 ( -3.426 0.163 1.352) 3.687 1.824 ( 1.189 -0.399 0.124) 1.260 1.845 ( -3.506 1.247 -1.697) 4.089 1.899 ( -0.927 -0.652 -2.149) 2.430 1.984 ( -0.917 -0.264 -0.968) 1.359 2.011 ( -1.525 1.080 -3.189) 3.697 2.058 ( -0.355 -0.386 -4.000) 4.034 2.109 ( 0.425 -0.465 0.124) 0.642 2.157 ( -2.592 -1.802 0.450) 3.188 2.182 ( -0.387 0.483 0.030) 0.620 2.203 ( 2.425 0.055 0.621) 2.504 2.289 ( 2.722 0.252 -1.735) 3.238 2.330 ( 0.429 -0.356 3.286) 3.333 2.348 ( 1.855 -1.322 0.589) 2.353 2.448 ( 2.260 0.579 0.228) 2.344 2.509 ( -3.318 -4.171 -0.003) 5.330 2.531 ( 1.785 1.608 1.710) 2.949 2.588 ( 3.431 2.468 -3.923) 5.767 2.661 ( 3.079 2.914 3.492) 5.492 2.710 ( 2.734 0.316 -2.275) 3.571 2.732 ( 2.217 1.441 0.346) 2.667 2.849 ( -1.845 -2.827 4.918) 5.965 2.910 ( 2.231 2.162 -2.024) 3.708 2.925 ( 5.052 0.301 1.146) 5.189 3.142 ( -1.177 -0.198 -1.114) 1.633 3.211 ( 0.384 1.271 -0.027) 1.328 3.562 ( -1.361 -3.564 -0.680) 3.875 3.613 ( -0.776 -2.732 2.852) 4.025 3.809 ( -0.538 4.233 -0.452) 4.291 3.904 ( 2.629 3.807 1.184) 4.775 4.156 ( -0.725 -2.823 -0.932) 3.060 4.224 ( -0.383 -3.445 -1.680) 3.851 4.278 ( -1.738 -3.595 1.522) 4.273 4.355 ( -0.029 -6.607 0.633) 6.637 4.731 ( -3.791 6.230 1.014) 7.363 4.903 ( 2.710 -1.654 -3.798) 4.950 4.935 ( -2.122 -0.164 1.958) 2.892 5.105 ( 4.844 -0.032 -4.518) 6.624 5.241 ( -1.252 4.333 -1.725) 4.828 5.621 ( 11.441 -0.039 0.864) 11.474 7.851 ( -0.964 0.345 -1.546) 1.854 7.995 ( 1.428 -3.989 2.615) 4.978 8.245 ( -3.455 6.509 -0.482) 7.384 8.447 ( 3.605 0.781 3.011) 4.762 8.561 ( -1.382 2.540 0.922) 3.035 8.621 ( 1.643 0.299 0.012) 1.670 9.857 ( -3.180 -1.347 -4.139) 5.390 9.882 ( -4.204 -1.726 0.893) 4.632 10.125 ( -2.056 -1.022 2.163) 3.155 10.139 ( 0.494 -1.549 -1.551) 2.247 12.635 ( -0.401 2.503 -0.284) 2.550 12.687 ( 0.504 2.071 2.167) 3.040 12.913 ( 2.169 1.201 -2.313) 3.390 12.946 ( 0.639 0.287 2.966) 3.048 13.296 ( -2.166 0.507 -2.259) 3.170 13.428 ( -3.184 -1.193 0.198) 3.406 13.513 ( 4.328 -1.467 1.775) 4.902 13.643 ( 5.005 -6.635 -1.865) 8.518 13.802 ( -2.014 5.270 -3.029) 6.403 13.941 ( 3.195 3.740 -0.355) 4.932 16.952 ( -1.256 0.627 0.183) 1.416 17.058 ( 2.817 -1.371 0.210) 3.140 22.944 ( 0.889 2.188 0.360) 2.389 22.970 ( 2.370 2.736 0.401) 3.642 24.768 ( -0.287 -0.203 -0.749) 0.827 24.780 ( -0.142 -0.310 1.098) 1.149 26.087 ( -2.425 0.827 -1.653) 3.049 26.134 ( -2.632 1.650 1.751) 3.565 26.239 ( -0.049 -0.924 -0.955) 1.330 26.271 ( 0.107 -2.508 -2.365) 3.449 26.355 ( -6.085 2.053 0.820) 6.474 26.531 ( -3.628 1.365 -0.630) 3.927 26.622 ( 0.035 -2.122 -2.374) 3.185 26.756 ( 6.693 6.962 -0.176) 9.659 26.785 ( -4.641 -4.661 3.877) 7.635 27.215 ( 7.474 -5.897 1.570) 9.648======================= Grid point 106 (59/69) =======================q-point: (-0.22 0.20 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.681 ( -9.578 8.378 7.562) 14.803 0.747 ( -10.321 7.607 8.323) 15.286 1.023 ( 1.258 -1.096 2.699) 3.173 1.068 ( -3.191 -1.535 0.857) 3.643 1.112 ( -2.519 1.036 1.041) 2.916 1.193 ( -3.467 -1.432 1.904) 4.206 1.238 ( -4.422 5.065 2.797) 7.282 1.312 ( -4.733 -1.479 -1.969) 5.335 1.367 ( -2.634 4.717 5.107) 7.435 1.442 ( -6.277 0.205 -0.697) 6.319 1.471 ( -5.687 2.989 1.083) 6.515 1.560 ( -0.692 -3.002 -1.560) 3.453 1.653 ( 1.458 -4.633 0.931) 4.945 1.702 ( -4.806 0.312 -4.610) 6.667 1.722 ( -1.715 -6.081 -2.362) 6.745 1.843 ( 0.437 -1.100 0.555) 1.307 1.866 ( 1.679 0.085 -1.339) 2.149 1.907 ( 3.538 -0.654 2.469) 4.363 1.913 ( 1.791 1.653 -2.570) 3.542 1.981 ( 0.360 0.682 -1.442) 1.635 2.044 ( 0.465 -0.374 0.632) 0.869 2.089 ( -3.632 -0.482 0.304) 3.677 2.117 ( -0.992 -1.193 -0.405) 1.604 2.186 ( -0.276 0.491 0.756) 0.942 2.219 ( 1.822 -0.569 -1.459) 2.403 2.300 ( 2.133 1.055 -2.209) 3.247 2.371 ( -0.352 3.053 1.688) 3.506 2.415 ( 1.472 0.710 3.385) 3.758 2.458 ( -0.406 -1.087 0.810) 1.415 2.466 ( -0.637 -5.386 -1.069) 5.528 2.496 ( -0.979 2.388 -2.262) 3.432 2.661 ( 3.166 -0.425 -0.921) 3.324 2.697 ( 1.706 -3.614 -2.049) 4.491 2.754 ( 3.946 3.129 1.283) 5.197 2.791 ( 3.204 3.466 2.412) 5.301 2.881 ( -1.088 -1.527 3.598) 4.057 2.896 ( 0.877 -1.124 -1.542) 2.100 3.041 ( 3.081 0.251 1.922) 3.641 3.127 ( 0.579 -0.355 0.164) 0.698 3.212 ( 0.519 -0.075 -0.322) 0.616 3.532 ( -1.176 -2.537 -0.915) 2.942 3.645 ( -0.518 -7.102 3.822) 8.082 3.797 ( -0.037 5.532 -0.325) 5.542 3.966 ( 2.186 4.853 2.616) 5.931 4.148 ( 0.700 -1.850 -2.085) 2.874 4.183 ( -1.701 -2.916 -1.123) 3.557 4.253 ( -1.815 -3.631 0.135) 4.061 4.365 ( -0.324 -6.565 2.010) 6.873 4.675 ( -0.955 8.642 -3.615) 9.416 4.897 ( 1.913 -1.214 -5.224) 5.694 4.927 ( -2.332 0.564 3.148) 3.958 5.120 ( 2.184 -2.509 -2.212) 3.995 5.231 ( 2.843 6.987 -2.485) 7.942 5.751 ( 8.171 -2.680 -6.244) 10.627 7.852 ( 0.589 2.991 1.443) 3.373 8.035 ( -0.577 -1.494 3.004) 3.404 8.204 ( -1.649 6.640 0.576) 6.866 8.530 ( -2.944 0.465 6.055) 6.749 8.560 ( 4.864 0.381 -1.900) 5.236 8.634 ( 0.749 -4.109 -1.589) 4.469 9.750 ( -3.265 0.181 -4.822) 5.827 9.799 ( -5.856 -1.208 -0.716) 6.023 10.104 ( -1.933 -1.045 0.187) 2.206 10.139 ( -0.132 -1.177 0.377) 1.243 12.640 ( -0.188 1.407 1.600) 2.139 12.705 ( -1.009 1.027 1.268) 1.918 12.941 ( 4.085 2.493 -1.951) 5.168 12.975 ( -0.620 -0.745 2.490) 2.672 13.274 ( 0.324 4.571 0.606) 4.623 13.396 ( -1.243 -1.142 1.932) 2.566 13.584 ( 4.357 -2.142 -1.502) 5.082 13.679 ( 0.730 -3.929 -1.027) 4.126 13.761 ( 2.062 4.781 -2.059) 5.599 13.970 ( 3.479 0.587 -4.311) 5.571 16.954 ( 0.082 2.172 2.141) 3.051 17.107 ( 2.850 -0.865 0.596) 3.038 22.973 ( 1.342 2.370 1.651) 3.185 23.029 ( 4.034 3.683 1.081) 5.568 24.757 ( -0.251 0.046 -0.343) 0.427 24.790 ( -0.309 -0.485 1.082) 1.225 26.037 ( -1.614 0.653 -1.008) 2.012 26.102 ( -3.345 0.656 1.169) 3.603 26.199 ( -1.647 -2.921 -3.601) 4.921 26.247 ( -3.822 0.727 1.445) 4.150 26.281 ( -2.568 0.523 -0.562) 2.681 26.414 ( -6.304 1.608 -2.441) 6.949 26.607 ( 1.070 -2.080 -2.539) 3.452 26.734 ( -1.630 0.310 -1.018) 1.947 26.937 ( 7.104 2.170 6.435) 9.828 27.327 ( 5.167 -6.478 0.594) 8.307======================= Grid point 107 (60/69) =======================q-point: (-0.11 0.20 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.627 ( -9.261 9.897 7.520) 15.500 0.699 ( -5.737 9.351 11.378) 15.805 1.007 ( -3.564 -0.570 -0.150) 3.612 1.077 ( 1.216 -0.064 2.073) 2.404 1.105 ( -3.878 -0.667 1.515) 4.217 1.167 ( -1.061 -1.353 -3.740) 4.116 1.206 ( -4.822 -1.421 4.461) 6.721 1.245 ( -1.114 1.073 3.736) 4.044 1.353 ( -3.302 1.046 2.512) 4.278 1.441 ( 0.725 2.095 4.423) 4.947 1.460 ( -0.092 3.185 2.765) 4.218 1.488 ( -0.856 2.210 -4.612) 5.185 1.560 ( -4.564 -1.906 -4.322) 6.568 1.659 ( -1.009 -3.281 -4.427) 5.602 1.698 ( 0.505 -4.849 1.804) 5.199 1.788 ( -2.727 -2.134 -3.247) 4.747 1.829 ( 0.710 -1.427 -3.544) 3.886 1.927 ( 2.862 -0.525 -1.838) 3.442 1.956 ( -0.571 -2.301 -0.350) 2.396 2.024 ( -2.599 -1.430 0.905) 3.102 2.039 ( -1.082 -0.422 1.769) 2.116 2.085 ( -0.056 -2.801 1.321) 3.098 2.095 ( 2.723 -0.457 -0.802) 2.876 2.190 ( 0.103 2.999 -0.430) 3.032 2.256 ( 1.132 -0.998 0.744) 1.683 2.296 ( 2.039 2.279 -3.473) 4.627 2.339 ( -2.506 1.493 -2.085) 3.585 2.432 ( 0.367 -3.998 1.263) 4.208 2.448 ( -1.592 2.116 -2.503) 3.644 2.470 ( -0.005 0.218 3.442) 3.449 2.535 ( 1.065 0.845 4.309) 4.519 2.635 ( -0.968 0.645 -2.905) 3.130 2.714 ( 2.358 -1.474 -0.620) 2.849 2.824 ( 2.363 1.296 0.681) 2.780 2.863 ( 3.284 -0.992 -0.602) 3.483 2.897 ( 1.482 -0.948 1.836) 2.543 2.906 ( -1.550 -1.477 1.968) 2.908 3.060 ( 0.469 -1.091 -1.423) 1.854 3.153 ( 1.220 -0.687 1.084) 1.771 3.222 ( 0.546 -2.390 -0.282) 2.468 3.514 ( 0.032 -1.511 -0.239) 1.530 3.632 ( -5.030 -9.590 0.478) 10.840 3.830 ( 2.255 5.013 3.010) 6.267 4.001 ( -0.845 3.408 0.895) 3.624 4.109 ( 1.668 -1.085 -4.502) 4.922 4.161 ( -1.215 -3.015 -0.604) 3.306 4.274 ( 0.468 -3.326 3.952) 5.187 4.387 ( -1.279 -5.654 3.343) 6.692 4.641 ( 3.680 11.901 -4.581) 13.273 4.827 ( -1.659 3.459 -6.769) 7.780 4.941 ( -0.714 -0.313 3.805) 3.884 5.114 ( -0.779 -4.012 -1.224) 4.266 5.290 ( 5.981 6.991 1.225) 9.282 5.734 ( 2.595 -0.998 -10.707) 11.062 7.876 ( 0.179 1.763 1.803) 2.528 8.037 ( -2.157 -0.781 0.888) 2.460 8.236 ( 1.842 5.688 5.857) 8.370 8.516 ( -4.913 -0.479 4.332) 6.568 8.575 ( -0.904 -3.371 -2.908) 4.543 8.653 ( 4.917 0.257 -4.094) 6.404 9.660 ( -1.605 -0.054 -3.502) 3.852 9.705 ( -4.408 -0.329 -1.019) 4.537 10.081 ( -1.141 0.141 0.610) 1.301 10.133 ( -0.588 -0.228 -0.491) 0.799 12.650 ( -0.675 1.183 1.046) 1.717 12.694 ( -1.227 0.736 0.462) 1.504 12.978 ( 2.640 2.094 -0.547) 3.414 13.004 ( 0.614 1.513 1.944) 2.539 13.307 ( 1.364 -2.009 3.541) 4.294 13.439 ( 0.719 0.284 4.342) 4.411 13.610 ( 0.348 -4.556 -1.519) 4.815 13.647 ( 1.018 -1.910 -4.867) 5.327 13.816 ( 5.130 3.700 -0.866) 6.384 13.941 ( 0.821 -1.484 -6.427) 6.647 17.008 ( 1.707 4.086 4.380) 6.228 17.155 ( 2.453 1.412 -0.277) 2.844 23.021 ( 1.335 1.974 2.720) 3.616 23.107 ( 4.578 2.761 -0.588) 5.378 24.758 ( 0.540 0.304 0.269) 0.675 24.792 ( -0.725 -0.345 0.701) 1.066 26.023 ( 0.571 0.105 0.329) 0.667 26.070 ( -1.181 -0.058 0.041) 1.183 26.119 ( -4.469 -0.836 -1.310) 4.732 26.163 ( -5.874 -1.721 0.134) 6.123 26.275 ( 0.847 1.944 -0.210) 2.132 26.321 ( -3.352 2.172 -0.551) 4.032 26.590 ( 0.789 -2.648 -2.488) 3.718 26.680 ( -2.683 -1.720 -2.430) 4.008 27.112 ( 4.905 2.375 7.069) 8.926 27.387 ( 3.128 -4.518 -1.970) 5.838======================= Grid point 108 (61/69) =======================q-point: ( 0.00 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.825 ( 0.481 7.094 2.787) 7.637 0.909 ( -2.585 0.133 -4.673) 5.342 0.927 ( -2.262 5.619 8.574) 10.497 1.030 ( -2.891 -1.444 3.190) 4.541 1.085 ( 3.833 -1.118 -0.333) 4.006 1.116 ( 1.179 1.603 -7.558) 7.815 1.132 ( 0.637 -5.205 4.725) 7.059 1.209 ( 2.657 -5.435 -2.386) 6.503 1.369 ( -2.608 1.736 -0.913) 3.263 1.404 ( -2.094 -2.400 -3.098) 4.443 1.465 ( 0.419 0.618 1.623) 1.786 1.479 ( -0.835 -0.781 0.508) 1.251 1.606 ( 1.801 2.567 3.539) 4.728 1.654 ( -1.054 -0.246 2.602) 2.818 1.689 ( -1.273 0.957 -0.792) 1.779 1.707 ( 1.574 -0.522 -3.074) 3.493 1.797 ( -0.429 2.652 -3.224) 4.197 1.848 ( 1.621 -1.851 -4.335) 4.985 1.927 ( -0.652 -3.036 2.895) 4.246 1.965 ( -1.554 -3.971 1.820) 4.637 2.002 ( 1.358 0.583 -2.275) 2.714 2.036 ( 0.388 -2.299 -2.463) 3.392 2.141 ( -1.233 3.748 3.282) 5.132 2.211 ( -1.282 -1.363 1.818) 2.609 2.229 ( 0.946 2.237 -2.380) 3.400 2.269 ( -0.226 -0.662 -1.959) 2.080 2.417 ( -0.253 3.378 2.756) 4.367 2.434 ( 0.162 1.276 1.422) 1.917 2.473 ( 1.061 0.141 2.510) 2.729 2.508 ( -0.578 0.366 2.783) 2.866 2.634 ( 1.159 2.300 2.504) 3.592 2.684 ( 0.388 1.569 -2.487) 2.966 2.719 ( 1.513 0.577 4.192) 4.494 2.797 ( -1.086 -1.798 -1.473) 2.565 2.831 ( -2.207 -0.843 -1.119) 2.614 2.858 ( -0.422 -1.742 -2.252) 2.879 2.929 ( 0.974 -0.559 1.349) 1.756 2.971 ( -1.266 -3.531 -2.412) 4.459 3.172 ( 0.192 0.453 0.143) 0.512 3.187 ( 1.421 -0.904 -1.038) 1.978 3.479 ( -1.346 -1.358 0.521) 1.982 3.488 ( 1.420 -1.933 -0.269) 2.413 3.950 ( 1.020 1.142 0.925) 1.789 3.992 ( -2.253 -2.765 -2.719) 4.485 4.091 ( -0.913 4.260 0.917) 4.452 4.116 ( 0.759 3.864 -1.321) 4.153 4.207 ( 0.360 -6.137 2.268) 6.552 4.243 ( -0.854 -6.817 -0.425) 6.883 4.848 ( 0.781 5.403 -0.607) 5.493 4.862 ( 0.416 3.408 -1.632) 3.802 4.962 ( 0.409 -1.073 2.023) 2.326 4.994 ( -0.969 -3.487 -0.867) 3.722 5.534 ( 1.274 5.921 1.376) 6.211 5.620 ( -0.544 -1.476 -6.717) 6.899 7.902 ( 1.182 -0.626 0.272) 1.365 7.924 ( -2.276 -2.606 -1.742) 3.874 8.393 ( 1.200 0.643 1.915) 2.349 8.427 ( -1.472 -2.607 -0.856) 3.113 8.631 ( 0.395 5.655 5.149) 7.658 8.694 ( 0.265 0.354 -0.185) 0.479 9.614 ( -0.033 -0.175 -1.627) 1.637 9.625 ( -0.062 -1.034 -2.500) 2.706 10.113 ( -0.112 1.113 1.017) 1.512 10.125 ( 0.527 -0.038 -0.158) 0.551 12.690 ( 0.398 1.211 0.774) 1.491 12.700 ( -0.023 0.434 -0.014) 0.435 13.056 ( -2.079 3.337 3.396) 5.195 13.092 ( 0.729 1.648 1.018) 2.070 13.266 ( -0.531 -1.984 0.959) 2.267 13.353 ( -0.439 -8.055 -5.441) 9.731 13.538 ( 0.916 1.839 -0.837) 2.219 13.575 ( 1.057 -1.507 -3.996) 4.399 13.877 ( -0.399 0.255 -0.807) 0.935 13.883 ( 0.490 -0.197 -1.346) 1.446 17.178 ( 0.491 3.459 3.464) 4.920 17.211 ( 0.421 0.529 0.527) 0.857 23.110 ( 0.123 2.006 1.508) 2.513 23.139 ( 0.252 -0.572 -1.197) 1.350 24.781 ( 0.240 0.185 0.507) 0.591 24.784 ( -0.142 -0.060 0.258) 0.300 26.045 ( -0.113 -0.348 1.081) 1.141 26.048 ( 0.140 -0.524 0.773) 0.944 26.077 ( 1.960 0.320 -1.572) 2.533 26.083 ( 0.135 -0.200 -1.969) 1.984 26.316 ( -1.940 1.702 1.174) 2.835 26.330 ( 0.394 0.583 0.016) 0.704 26.535 ( 0.295 -1.373 -0.824) 1.629 26.549 ( -1.166 -2.489 -1.846) 3.311 27.280 ( 0.395 2.163 3.408) 4.056 27.324 ( -0.605 -2.029 -0.603) 2.201======================= Grid point 109 (62/69) =======================q-point: ( 0.11 0.40 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.892 ( 6.015 4.794 -1.263) 7.795 0.966 ( 9.209 1.175 4.714) 10.412 0.995 ( -1.193 3.143 5.638) 6.564 1.045 ( -0.376 -0.420 3.174) 3.224 1.057 ( 3.753 2.452 -6.478) 7.878 1.126 ( 3.073 -3.074 -1.613) 4.636 1.165 ( 0.548 -1.182 -4.791) 4.965 1.219 ( 3.883 -6.169 -2.280) 7.638 1.376 ( -0.145 0.202 1.843) 1.860 1.394 ( 2.228 -1.130 5.771) 6.289 1.444 ( -2.044 0.714 -0.104) 2.167 1.483 ( 0.589 -2.716 2.271) 3.589 1.617 ( -2.150 2.504 -4.818) 5.840 1.658 ( -0.554 0.262 1.865) 1.963 1.716 ( 2.763 1.076 -1.748) 3.442 1.727 ( 3.810 1.993 1.064) 4.430 1.793 ( 2.797 0.857 0.425) 2.956 1.858 ( 4.175 -3.185 -0.844) 5.319 1.942 ( -1.896 0.727 2.187) 2.984 1.985 ( 2.210 -2.962 -1.549) 4.007 1.998 ( -0.890 -1.709 2.767) 3.372 2.021 ( 2.154 -3.251 -2.380) 4.569 2.147 ( -3.569 2.236 -0.165) 4.214 2.181 ( -1.287 2.389 2.688) 3.819 2.220 ( -0.848 0.565 -0.977) 1.412 2.286 ( 1.620 -2.566 0.939) 3.176 2.415 ( -0.922 4.176 -0.517) 4.308 2.433 ( -0.878 1.067 -0.412) 1.442 2.490 ( -0.359 2.661 -2.486) 3.659 2.533 ( 1.162 0.573 1.062) 1.675 2.628 ( -3.648 -0.613 -3.046) 4.792 2.653 ( -1.032 1.749 1.245) 2.382 2.712 ( -3.321 -1.054 -3.283) 4.787 2.754 ( -1.153 0.049 3.711) 3.886 2.840 ( 0.681 0.616 1.732) 1.960 2.886 ( 2.693 -2.534 0.427) 3.722 2.921 ( -1.671 -0.538 -1.355) 2.218 2.968 ( 1.230 -3.438 2.284) 4.307 3.169 ( 0.256 0.627 -0.726) 0.993 3.190 ( 0.828 -1.360 -1.210) 2.000 3.479 ( 0.686 0.443 0.123) 0.825 3.521 ( 2.764 -3.288 -0.505) 4.325 3.935 ( -1.804 1.762 -0.836) 2.657 3.989 ( 0.642 -2.353 2.716) 3.650 4.099 ( 0.566 2.975 1.013) 3.194 4.125 ( 1.666 4.444 -0.757) 4.806 4.210 ( -0.849 -6.527 -0.602) 6.609 4.252 ( 1.130 -7.027 1.233) 7.224 4.812 ( -3.172 7.208 -1.023) 7.941 4.854 ( -0.373 2.570 -0.749) 2.703 4.974 ( 0.022 -1.221 -0.289) 1.255 5.001 ( 1.004 -3.516 1.100) 3.818 5.484 ( -7.471 4.229 -3.068) 9.117 5.535 ( -4.672 -0.735 2.786) 5.490 7.916 ( 2.847 1.519 0.129) 3.229 7.982 ( 6.242 -4.141 1.281) 7.599 8.390 ( -1.590 0.711 -1.777) 2.488 8.429 ( 0.556 -2.841 1.405) 3.218 8.626 ( -4.704 5.024 0.036) 6.883 8.670 ( -1.461 0.875 -0.498) 1.774 9.621 ( 2.480 1.062 0.276) 2.712 9.657 ( 4.699 -2.131 0.195) 5.163 10.105 ( -0.886 1.750 -0.178) 1.970 10.136 ( 0.917 -0.870 -0.510) 1.363 12.695 ( 0.353 1.376 -0.413) 1.479 12.710 ( 1.069 0.109 -0.119) 1.081 13.033 ( -4.230 3.994 1.816) 6.095 13.088 ( -1.873 0.452 -0.270) 1.945 13.284 ( 0.419 -3.015 0.512) 3.087 13.329 ( 1.834 -5.985 1.145) 6.364 13.553 ( 1.592 0.528 -3.621) 3.991 13.568 ( 2.480 -0.512 1.131) 2.774 13.839 ( -3.848 0.843 0.083) 3.940 13.856 ( -2.847 -0.780 0.097) 2.953 17.178 ( -2.821 2.320 -2.100) 4.213 17.185 ( -2.625 1.689 0.460) 3.155 23.107 ( -1.769 1.401 -0.403) 2.292 23.119 ( -1.319 0.366 -0.169) 1.379 24.776 ( -0.471 0.713 -0.140) 0.866 24.791 ( 0.293 -0.603 -0.040) 0.671 26.051 ( -0.301 0.376 -0.451) 0.659 26.056 ( 1.012 -0.055 0.047) 1.014 26.110 ( 4.857 0.258 -1.297) 5.034 26.132 ( 7.231 -1.523 -1.060) 7.465 26.304 ( -1.487 2.461 1.469) 3.229 26.341 ( 0.668 -0.560 0.451) 0.981 26.531 ( 0.828 0.090 0.276) 0.877 26.573 ( 3.199 -3.202 1.282) 4.705 27.257 ( -5.598 0.759 -2.174) 6.053 27.277 ( -4.663 -0.964 2.208) 5.248======================= Grid point 110 (63/69) =======================q-point: ( 0.22 0.40 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.983 ( 6.274 3.725 -3.294) 8.005 1.015 ( 2.456 2.353 -2.147) 4.022 1.055 ( 0.454 0.431 -3.871) 3.921 1.079 ( 0.106 -1.406 2.592) 2.951 1.115 ( 3.708 3.972 -4.412) 6.999 1.142 ( 5.691 -1.062 -0.534) 5.814 1.201 ( 6.267 -0.915 3.100) 7.052 1.257 ( 5.288 -5.829 -2.137) 8.155 1.438 ( 3.191 1.569 3.337) 4.876 1.455 ( 2.828 0.195 2.146) 3.555 1.516 ( -2.210 2.387 -1.638) 3.642 1.539 ( 4.240 -2.858 4.962) 7.125 1.552 ( 2.152 -1.659 0.433) 2.751 1.626 ( 1.589 -4.401 -0.348) 4.692 1.743 ( 0.920 4.342 1.220) 4.602 1.799 ( 1.899 2.508 1.112) 3.336 1.868 ( 3.742 3.350 1.125) 5.147 1.905 ( 1.074 1.123 -0.645) 1.683 1.940 ( -0.389 2.215 1.783) 2.871 1.992 ( -2.033 -2.028 -1.618) 3.296 2.006 ( 1.690 -2.181 0.622) 2.828 2.036 ( -0.171 -2.463 -0.899) 2.628 2.098 ( 0.470 0.370 0.349) 0.693 2.190 ( -0.152 -5.938 2.027) 6.276 2.208 ( -1.508 3.354 1.809) 4.098 2.299 ( -1.568 -4.750 0.817) 5.069 2.345 ( -3.536 5.973 -4.021) 8.021 2.441 ( 0.273 2.073 0.379) 2.125 2.453 ( -0.819 0.497 -3.631) 3.755 2.518 ( -3.272 -0.613 -3.052) 4.516 2.541 ( 1.094 -0.840 -0.247) 1.401 2.605 ( -3.141 -5.002 -2.340) 6.353 2.691 ( -0.397 6.016 1.757) 6.280 2.799 ( 0.201 -2.664 3.142) 4.125 2.839 ( -0.917 1.939 -0.477) 2.197 2.865 ( -1.813 0.060 -0.979) 2.061 2.936 ( 0.963 1.392 0.019) 1.693 3.006 ( -0.107 -2.930 1.873) 3.479 3.174 ( 2.010 0.882 -1.710) 2.783 3.198 ( 2.061 -1.396 -0.917) 2.653 3.490 ( 0.532 1.118 -0.226) 1.259 3.548 ( 1.736 -4.297 -1.041) 4.750 3.913 ( -1.158 5.381 0.701) 5.549 4.020 ( -1.153 -3.162 2.997) 4.507 4.131 ( 1.915 1.298 0.355) 2.340 4.132 ( 0.640 3.816 -1.226) 4.058 4.200 ( 0.371 -5.030 -0.697) 5.091 4.257 ( -0.781 -6.977 -1.507) 7.181 4.762 ( -2.471 6.403 1.507) 7.027 4.828 ( -2.275 0.026 0.195) 2.283 4.979 ( 0.808 0.222 -0.213) 0.865 5.016 ( -0.860 -3.289 1.325) 3.649 5.353 ( -6.567 7.448 1.380) 10.025 5.493 ( -5.981 -5.838 5.277) 9.885 7.974 ( 2.841 4.723 -1.031) 5.607 8.069 ( 3.798 -3.499 -2.394) 5.692 8.337 ( -1.842 4.472 -0.797) 4.902 8.446 ( -0.554 -6.011 2.307) 6.463 8.564 ( -2.989 4.414 0.988) 5.422 8.640 ( 0.938 -2.207 -2.713) 3.621 9.688 ( 3.507 2.468 2.505) 4.967 9.748 ( 5.247 -2.649 1.054) 5.972 10.091 ( -0.426 1.739 -0.258) 1.808 10.138 ( 0.634 -2.143 -1.239) 2.555 12.700 ( 1.021 1.416 -0.855) 1.944 12.724 ( 1.416 -0.623 -0.604) 1.660 12.978 ( -4.614 3.873 1.076) 6.119 13.036 ( -3.018 -0.961 -1.422) 3.472 13.316 ( 2.422 1.087 1.300) 2.956 13.385 ( 1.563 -5.125 2.238) 5.807 13.524 ( -0.820 4.397 -3.258) 5.533 13.624 ( 1.823 -4.248 -0.327) 4.634 13.775 ( -4.583 2.030 2.576) 5.635 13.822 ( -3.189 -2.296 3.911) 5.544 17.091 ( -3.222 2.878 -3.576) 5.608 17.125 ( -3.569 -0.251 -1.648) 3.939 23.063 ( -2.095 2.024 -1.406) 3.234 23.084 ( -2.722 0.337 -0.499) 2.788 24.768 ( -0.152 0.965 -0.253) 1.009 24.790 ( 0.102 -1.029 -0.460) 1.132 26.048 ( 0.558 1.050 0.051) 1.191 26.077 ( 0.727 -1.666 0.933) 2.043 26.191 ( 7.317 2.228 -1.930) 7.889 26.246 ( 7.672 -2.372 -0.653) 8.057 26.303 ( -0.477 3.047 1.058) 3.261 26.367 ( 1.633 -2.265 1.177) 3.030 26.571 ( 2.616 2.765 1.466) 4.079 26.653 ( 3.876 -3.873 2.132) 5.879 27.112 ( -8.472 3.185 -3.216) 9.605 27.197 ( -7.280 -4.427 0.834) 8.561======================= Grid point 111 (64/69) =======================q-point: ( 0.33 0.40 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.978 ( 1.770 1.363 -8.597) 8.883 1.000 ( 0.727 -1.234 -4.634) 4.850 1.041 ( 4.327 4.729 -1.355) 6.552 1.123 ( 0.705 -1.341 0.792) 1.709 1.134 ( 4.540 1.523 -2.244) 5.288 1.192 ( 2.034 -0.922 -0.658) 2.328 1.310 ( 3.977 1.410 0.363) 4.236 1.327 ( 3.270 -2.188 0.195) 3.940 1.399 ( -1.673 -1.941 -2.755) 3.762 1.457 ( -0.995 -5.302 -5.208) 7.499 1.578 ( 3.463 2.242 3.033) 5.120 1.618 ( 5.951 -0.535 1.752) 6.226 1.666 ( 2.350 2.877 4.361) 5.729 1.737 ( 3.907 -2.598 4.549) 6.535 1.768 ( 2.537 3.353 -0.564) 4.242 1.822 ( -1.370 -1.529 -0.800) 2.203 1.858 ( -3.192 3.278 1.221) 4.736 1.912 ( -0.205 1.059 0.975) 1.454 1.941 ( 2.428 4.591 -0.230) 5.199 1.980 ( 0.802 0.762 1.436) 1.813 1.993 ( -1.398 -2.045 0.136) 2.481 2.069 ( 2.085 -4.479 1.693) 5.222 2.134 ( 1.071 2.487 1.767) 3.233 2.189 ( -1.892 2.721 0.449) 3.344 2.232 ( -0.051 1.381 -1.092) 1.761 2.256 ( -2.407 -0.947 1.116) 2.817 2.289 ( -0.575 -5.565 0.910) 5.668 2.360 ( -1.325 -4.614 -2.117) 5.247 2.435 ( -0.078 1.978 -2.872) 3.488 2.476 ( -1.215 -0.189 -2.056) 2.395 2.550 ( -1.251 -0.222 2.103) 2.457 2.571 ( -1.634 -2.325 1.516) 3.221 2.691 ( 0.257 6.474 -0.205) 6.483 2.797 ( -1.312 0.514 -2.208) 2.619 2.809 ( -0.404 -1.247 -1.849) 2.266 2.847 ( -0.837 -0.487 0.033) 0.969 2.929 ( 0.135 2.596 -1.549) 3.026 2.996 ( -2.571 -1.801 -0.290) 3.152 3.180 ( 2.168 2.818 -2.569) 4.386 3.228 ( 2.652 -1.162 -1.232) 3.146 3.494 ( 0.286 0.726 0.060) 0.782 3.559 ( 1.253 -4.804 -1.060) 5.076 3.905 ( -1.357 5.929 0.991) 6.163 4.005 ( -3.691 -1.677 0.274) 4.064 4.125 ( 0.916 2.610 -0.901) 2.909 4.155 ( 1.036 -0.588 -0.891) 1.487 4.204 ( 0.944 -3.526 0.423) 3.675 4.226 ( 0.244 -6.386 -1.761) 6.629 4.775 ( 0.218 2.505 2.759) 3.733 4.809 ( -1.831 -0.708 3.364) 3.895 4.989 ( 0.771 0.681 -0.226) 1.054 5.013 ( -1.679 -1.368 1.806) 2.820 5.313 ( -3.533 7.808 4.675) 9.762 5.467 ( -5.668 -6.620 5.462) 10.285 7.946 ( -0.715 4.114 -5.089) 6.583 8.026 ( -1.201 -3.406 -7.085) 7.952 8.354 ( 1.166 6.196 2.838) 6.914 8.460 ( -1.478 -3.177 2.498) 4.303 8.569 ( 0.447 2.051 2.770) 3.475 8.636 ( 2.356 -2.625 -3.054) 4.665 9.771 ( 2.381 2.464 3.401) 4.828 9.833 ( 3.873 -2.922 0.986) 4.951 10.089 ( 0.115 0.995 0.367) 1.067 10.133 ( 0.814 -2.587 -1.423) 3.063 12.703 ( 0.906 2.183 -1.216) 2.658 12.738 ( 1.144 -0.835 -0.981) 1.723 12.926 ( -3.458 3.117 1.374) 4.854 12.979 ( -1.830 -1.854 -1.136) 2.842 13.366 ( 0.964 2.860 0.439) 3.050 13.414 ( 2.047 -1.982 -2.626) 3.875 13.463 ( -2.521 2.787 0.649) 3.813 13.563 ( -4.388 -5.036 -4.246) 7.915 13.801 ( 0.350 2.963 5.858) 6.574 13.863 ( -0.660 -2.464 7.014) 7.464 17.017 ( -1.312 2.137 -2.780) 3.744 17.054 ( -2.309 -1.275 -2.172) 3.417 23.016 ( -1.585 1.873 -1.519) 2.886 23.031 ( -2.356 0.671 -1.257) 2.754 24.766 ( 0.065 0.751 -0.075) 0.757 24.785 ( 0.052 -0.972 -0.598) 1.142 26.071 ( 1.358 0.809 1.257) 2.020 26.102 ( 0.426 -2.302 1.977) 3.064 26.270 ( 4.061 3.126 -1.362) 5.303 26.310 ( 1.063 4.575 -0.595) 4.735 26.344 ( 4.225 -1.761 1.670) 4.873 26.426 ( 3.974 -4.317 1.241) 5.997 26.629 ( 3.155 3.819 -0.116) 4.955 26.732 ( 4.083 -5.128 0.110) 6.556 26.938 ( -8.721 6.378 -2.251) 11.037 27.085 ( -7.377 -7.121 0.198) 10.255======================= Grid point 112 (65/69) =======================q-point: ( 0.44 0.40 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.918 ( 2.237 2.304 -6.995) 7.697 0.941 ( -0.541 0.775 -6.021) 6.095 1.096 ( 2.522 0.776 0.619) 2.711 1.122 ( -0.318 1.419 0.369) 1.500 1.167 ( 1.209 -1.285 -1.401) 2.253 1.203 ( -0.398 -1.275 0.009) 1.336 1.283 ( -2.191 -0.541 -1.396) 2.654 1.342 ( -0.539 -1.798 -4.344) 4.732 1.417 ( 6.783 -2.919 -0.129) 7.386 1.465 ( 2.514 -4.146 1.947) 5.225 1.590 ( -1.590 2.759 -1.753) 3.635 1.643 ( -0.161 -1.472 -3.460) 3.764 1.678 ( -6.049 5.254 -0.208) 8.014 1.743 ( 1.417 3.590 -1.368) 4.095 1.771 ( -3.341 -2.049 2.320) 4.554 1.825 ( 1.258 -3.711 -0.276) 3.928 1.894 ( 0.474 1.872 5.857) 6.167 1.939 ( -0.049 -1.285 2.247) 2.589 2.000 ( 2.021 1.501 1.270) 2.819 2.020 ( 3.888 -0.240 -0.001) 3.896 2.032 ( 2.564 -1.089 1.026) 2.969 2.086 ( 1.112 -3.844 -1.136) 4.160 2.142 ( -4.247 2.268 3.074) 5.713 2.182 ( -4.101 1.620 3.461) 5.606 2.215 ( 3.298 1.215 2.539) 4.335 2.274 ( 1.747 -0.843 2.655) 3.288 2.307 ( 4.290 1.537 -1.847) 4.917 2.347 ( -0.951 -0.386 -3.115) 3.280 2.402 ( -1.767 0.519 -2.701) 3.269 2.469 ( 2.933 -4.433 -1.229) 5.456 2.527 ( -2.065 1.253 1.778) 2.999 2.558 ( -2.823 -1.808 2.693) 4.299 2.692 ( -2.001 5.335 0.343) 5.708 2.741 ( -0.809 2.079 -3.089) 3.810 2.792 ( -0.475 0.146 -0.256) 0.560 2.826 ( 0.218 -0.796 -1.203) 1.459 2.915 ( 0.254 1.300 -2.292) 2.648 2.935 ( -1.091 0.079 -3.137) 3.322 3.197 ( 2.136 2.853 -0.600) 3.615 3.239 ( 0.516 -0.153 -1.449) 1.546 3.501 ( 0.332 -0.688 0.455) 0.889 3.554 ( 0.026 -4.647 -1.753) 4.967 3.894 ( -0.834 3.686 0.550) 3.819 3.936 ( -3.172 0.690 -1.225) 3.470 4.139 ( 1.322 0.920 0.196) 1.623 4.161 ( 0.019 -0.799 0.094) 0.804 4.214 ( -0.263 -4.473 -0.544) 4.514 4.228 ( 1.375 -5.330 -0.677) 5.546 4.811 ( -0.574 2.600 4.190) 4.965 4.853 ( 2.277 -1.065 1.637) 3.000 5.002 ( 1.722 -0.153 -0.407) 1.776 5.003 ( -2.200 0.071 1.612) 2.729 5.341 ( -0.541 5.586 5.697) 7.997 5.434 ( -4.521 -3.171 3.037) 6.302 7.882 ( 0.356 0.716 -4.489) 4.559 7.920 ( -1.301 -3.203 -6.333) 7.215 8.392 ( 0.175 5.830 1.894) 6.132 8.457 ( -1.121 -0.076 0.190) 1.139 8.609 ( -0.022 1.785 2.844) 3.358 8.643 ( 1.364 -0.909 -0.972) 1.906 9.835 ( 0.782 1.210 3.216) 3.524 9.883 ( 1.495 -3.077 0.194) 3.426 10.099 ( 0.141 0.527 0.812) 0.978 10.131 ( 0.742 -2.214 -1.267) 2.657 12.702 ( 0.379 2.491 -0.679) 2.610 12.730 ( -0.018 0.024 -1.711) 1.711 12.909 ( -1.263 2.735 2.126) 3.687 12.957 ( -0.387 -1.685 -0.384) 1.771 13.328 ( -0.869 2.234 -2.074) 3.170 13.412 ( -2.200 -5.563 -3.695) 7.031 13.454 ( -0.765 1.310 1.069) 1.856 13.483 ( 1.516 -1.737 -0.974) 2.503 13.882 ( 1.135 3.000 5.349) 6.237 13.924 ( -0.465 -0.585 4.365) 4.429 16.987 ( 0.394 0.771 -1.349) 1.603 17.007 ( -0.800 -1.015 -1.744) 2.171 22.984 ( -0.426 1.429 -1.140) 1.877 22.990 ( -0.894 0.957 -1.216) 1.787 24.767 ( 0.015 0.404 0.145) 0.429 24.779 ( 0.032 -0.667 -0.549) 0.864 26.114 ( 1.553 0.114 1.752) 2.344 26.131 ( 0.016 -1.842 1.981) 2.705 26.283 ( -1.570 3.282 1.119) 3.806 26.312 ( 1.959 3.066 -3.153) 4.815 26.432 ( 2.161 0.567 4.649) 5.158 26.502 ( 2.450 -3.825 2.778) 5.324 26.657 ( 3.939 1.815 -5.063) 6.666 26.706 ( -3.064 -2.129 -7.069) 7.993 26.881 ( 1.409 2.895 3.775) 4.961 26.977 ( -6.829 -5.403 0.837) 8.748======================= Grid point 113 (66/69) =======================q-point: (-0.44 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.854 ( -3.205 2.868 -2.114) 4.792 0.896 ( 1.705 0.179 -2.696) 3.194 1.110 ( -2.402 -0.746 0.280) 2.531 1.132 ( 0.077 -1.530 1.606) 2.219 1.149 ( -4.289 3.754 -1.837) 5.989 1.177 ( 1.117 0.994 0.963) 1.778 1.271 ( -0.074 -3.734 1.395) 3.987 1.300 ( 0.746 -6.420 -2.199) 6.827 1.442 ( -5.687 2.037 -1.725) 6.282 1.509 ( 1.114 -3.727 -1.253) 4.087 1.559 ( -0.934 1.230 2.048) 2.565 1.579 ( 0.114 -0.660 0.287) 0.728 1.675 ( -1.093 4.264 1.586) 4.679 1.702 ( 2.081 2.959 0.706) 3.686 1.796 ( -0.881 -3.137 1.638) 3.647 1.816 ( 0.445 -4.130 -1.626) 4.460 1.945 ( -0.548 1.101 1.295) 1.786 1.960 ( 0.536 -0.463 1.203) 1.396 1.989 ( -3.485 1.708 0.789) 3.960 2.035 ( 0.992 -1.407 -1.106) 2.046 2.053 ( -2.021 1.503 -1.142) 2.765 2.083 ( 1.643 -1.927 -1.738) 3.071 2.185 ( -1.709 1.290 5.924) 6.299 2.203 ( 0.495 -0.232 4.629) 4.661 2.258 ( -0.897 0.238 -4.069) 4.174 2.271 ( -1.356 -0.760 -0.854) 1.773 2.309 ( 3.765 1.584 -2.141) 4.611 2.336 ( 2.546 -1.234 -2.060) 3.499 2.396 ( -4.077 2.106 -2.577) 5.263 2.441 ( 3.980 0.021 0.702) 4.042 2.536 ( -1.472 1.297 1.435) 2.431 2.598 ( 4.301 -3.331 -0.136) 5.442 2.663 ( -2.679 3.400 3.392) 5.500 2.700 ( -1.075 0.939 0.970) 1.725 2.791 ( -1.434 2.865 0.309) 3.219 2.814 ( -0.880 0.393 -1.268) 1.592 2.892 ( 1.734 0.878 -1.198) 2.283 2.921 ( 2.432 -1.539 -2.452) 3.781 3.210 ( -1.573 2.038 -1.003) 2.763 3.221 ( 0.415 1.167 -0.047) 1.239 3.515 ( -0.335 -2.616 0.997) 2.820 3.526 ( -0.389 -3.545 -1.264) 3.784 3.901 ( 0.076 2.446 -0.206) 2.456 3.908 ( 1.673 1.680 1.141) 2.631 4.147 ( -1.410 -0.156 -0.588) 1.535 4.163 ( 1.020 -0.134 0.355) 1.088 4.203 ( -1.327 -4.560 0.832) 4.822 4.226 ( 0.151 -5.165 -1.457) 5.369 4.842 ( -0.918 3.218 2.328) 4.076 4.880 ( 1.006 -0.751 -1.597) 2.032 4.984 ( -1.901 1.848 1.065) 2.857 5.035 ( 2.953 -2.640 -1.243) 4.152 5.390 ( -1.453 4.388 2.432) 5.223 5.449 ( 5.367 -0.728 1.867) 5.729 7.854 ( 0.173 -1.384 -2.173) 2.582 7.868 ( 1.946 -2.539 -2.057) 3.803 8.411 ( -1.467 4.012 2.318) 4.861 8.434 ( -0.171 1.720 -0.704) 1.866 8.626 ( -1.145 2.096 1.411) 2.774 8.645 ( -0.232 0.373 -0.556) 0.709 9.864 ( -1.120 -0.434 2.078) 2.400 9.883 ( -0.781 -2.102 -1.063) 2.481 10.108 ( -0.430 -0.075 0.853) 0.958 10.123 ( 0.151 -1.476 -1.354) 2.009 12.704 ( 0.068 1.740 0.323) 1.771 12.709 ( -0.112 1.273 -1.138) 1.712 12.925 ( -0.501 1.843 2.080) 2.824 12.946 ( 0.171 0.135 -0.783) 0.812 13.329 ( -1.875 -2.180 -1.988) 3.496 13.342 ( 2.226 -3.021 2.307) 4.405 13.465 ( 0.256 1.557 0.216) 1.593 13.506 ( 3.383 -2.336 -2.805) 4.977 13.937 ( -0.745 2.226 1.110) 2.597 13.949 ( 1.035 1.174 1.537) 2.193 16.980 ( -0.277 0.391 -0.669) 0.823 16.996 ( 1.524 -0.973 -0.921) 2.029 22.976 ( 0.533 1.364 -0.471) 1.538 22.981 ( 1.130 0.981 -0.509) 1.581 24.769 ( -0.103 0.056 0.334) 0.353 24.773 ( -0.066 -0.311 -0.424) 0.530 26.137 ( -0.893 -0.371 -0.022) 0.968 26.149 ( 0.723 -1.030 0.717) 1.448 26.258 ( -3.036 3.413 1.133) 4.707 26.304 ( 0.134 1.309 -1.004) 1.655 26.491 ( -3.847 2.740 4.172) 6.302 26.567 ( -0.926 -0.775 3.291) 3.505 26.583 ( 0.427 -0.689 -2.111) 2.261 26.632 ( 1.914 -5.072 -8.102) 9.748 26.907 ( -2.645 2.716 1.404) 4.042 26.977 ( 5.575 -3.602 1.350) 6.773======================= Grid point 114 (67/69) =======================q-point: (-0.33 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.817 ( -2.978 4.581 4.740) 7.233 0.911 ( 0.491 -2.712 2.075) 3.450 1.013 ( -7.905 8.828 0.108) 11.850 1.100 ( -1.683 0.776 0.026) 1.854 1.139 ( -1.481 -1.478 1.110) 2.369 1.184 ( -2.721 -2.346 0.594) 3.642 1.285 ( -2.001 -2.966 2.970) 4.650 1.324 ( 1.492 -6.732 2.588) 7.365 1.368 ( 0.916 1.401 -2.053) 2.649 1.431 ( -3.736 -3.122 -2.261) 5.369 1.578 ( -2.157 1.102 2.272) 3.321 1.600 ( -1.454 -1.074 1.922) 2.638 1.695 ( -1.821 3.773 1.747) 4.539 1.752 ( 3.016 3.801 2.402) 5.414 1.768 ( -3.747 -1.257 0.054) 3.952 1.834 ( 0.104 -0.544 -2.443) 2.505 1.877 ( -7.569 3.093 -0.421) 8.187 1.935 ( 1.431 1.761 -0.892) 2.438 1.953 ( -1.775 -1.438 -2.235) 3.196 2.015 ( 0.177 -2.433 -0.688) 2.535 2.045 ( 0.515 0.505 -1.495) 1.660 2.073 ( -1.048 -2.304 -0.381) 2.559 2.176 ( -3.805 5.157 -1.854) 6.671 2.204 ( -1.474 2.006 2.451) 3.494 2.235 ( 2.571 1.957 -3.450) 4.727 2.276 ( 0.195 -2.295 -0.158) 2.308 2.297 ( 3.760 -1.958 -2.567) 4.956 2.358 ( 2.401 0.057 0.226) 2.412 2.374 ( -4.583 -3.297 2.663) 6.242 2.447 ( 2.564 -2.648 -1.576) 4.009 2.594 ( 4.848 2.689 1.107) 5.653 2.626 ( 0.527 0.212 -2.690) 2.750 2.675 ( -2.420 1.304 1.496) 3.130 2.732 ( 2.447 0.376 3.247) 4.083 2.768 ( -2.229 -1.346 1.132) 2.839 2.800 ( 1.639 -0.153 2.139) 2.699 2.923 ( 1.245 1.932 -0.895) 2.466 2.957 ( 3.415 0.060 1.876) 3.897 3.169 ( -1.513 2.583 -1.045) 3.171 3.217 ( -1.093 -1.080 -0.011) 1.536 3.500 ( -0.496 -1.350 -0.396) 1.492 3.530 ( -0.968 -3.793 1.462) 4.179 3.919 ( 1.719 5.237 -0.138) 5.514 3.971 ( 3.325 1.280 2.516) 4.361 4.117 ( -1.289 -0.484 -0.215) 1.394 4.166 ( -0.618 -1.899 -0.933) 2.204 4.187 ( -2.118 -4.566 1.187) 5.171 4.209 ( -0.733 -4.423 -0.321) 4.495 4.830 ( -0.686 2.857 -1.359) 3.237 4.869 ( 0.967 -1.369 -2.129) 2.710 4.974 ( -0.894 3.161 0.856) 3.394 5.050 ( 1.234 -3.664 -1.769) 4.252 5.404 ( 3.219 9.053 -2.216) 9.861 5.566 ( 8.272 -5.476 -2.194) 10.159 7.864 ( 1.717 1.177 1.469) 2.547 7.911 ( 2.645 -3.327 2.722) 5.047 8.389 ( -1.589 5.837 -0.186) 6.053 8.459 ( 0.615 -0.712 2.906) 3.054 8.599 ( -2.948 1.189 -0.420) 3.207 8.619 ( -1.657 -0.571 -1.617) 2.385 9.836 ( -2.655 -0.354 -1.713) 3.179 9.846 ( -2.951 -1.321 -0.308) 3.248 10.105 ( -0.918 -0.633 0.218) 1.136 10.108 ( -0.171 -0.996 -0.521) 1.137 12.693 ( -0.506 2.381 -0.415) 2.469 12.716 ( -0.158 0.310 0.897) 0.962 12.935 ( 0.476 1.045 1.214) 1.671 12.953 ( 0.584 -0.191 0.394) 0.730 13.329 ( 1.761 3.066 1.908) 4.018 13.404 ( 0.525 -2.273 0.821) 2.473 13.488 ( 3.368 -0.465 1.292) 3.637 13.523 ( 3.905 -3.676 -3.568) 6.442 13.906 ( -0.859 4.201 -3.365) 5.450 13.967 ( 1.122 -1.212 -2.102) 2.673 16.978 ( 0.462 1.784 0.484) 1.906 17.021 ( 2.062 -2.069 0.369) 2.944 22.993 ( 1.644 1.983 0.390) 2.605 23.010 ( 2.663 0.598 0.388) 2.757 24.767 ( -0.240 0.116 -0.197) 0.332 24.772 ( -0.156 -0.366 0.511) 0.648 26.106 ( -1.431 1.201 -1.716) 2.537 26.145 ( -0.703 -2.093 -1.235) 2.529 26.217 ( -4.357 2.921 1.603) 5.485 26.285 ( -3.684 -1.497 1.748) 4.344 26.405 ( -3.397 4.824 -3.597) 6.910 26.519 ( -3.429 -3.769 -5.003) 7.142 26.592 ( 0.044 0.774 2.014) 2.158 26.657 ( -0.432 -5.364 5.534) 7.720 26.929 ( 4.737 7.893 -0.217) 9.208 27.080 ( 6.108 -6.628 0.659) 9.038======================= Grid point 115 (68/69) =======================q-point: (-0.22 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.858 ( -2.439 4.756 8.350) 9.914 0.898 ( -7.266 6.139 3.266) 10.058 0.966 ( -0.321 0.250 4.916) 4.932 1.074 ( -1.306 2.108 -0.426) 2.516 1.103 ( -5.205 -3.400 2.546) 6.718 1.144 ( -0.631 -3.933 -1.917) 4.420 1.267 ( -3.149 0.412 -1.107) 3.363 1.288 ( -3.297 -0.578 -3.398) 4.770 1.406 ( 1.178 -0.236 2.024) 2.354 1.449 ( 3.237 -4.633 4.333) 7.122 1.510 ( -7.592 2.605 -0.549) 8.045 1.561 ( -2.831 -2.346 -2.208) 4.289 1.641 ( -6.227 2.056 -2.086) 6.882 1.668 ( -5.665 1.363 -1.521) 6.022 1.708 ( -1.902 5.563 0.227) 5.883 1.834 ( -1.209 -2.022 0.447) 2.398 1.874 ( 0.848 1.962 3.626) 4.209 1.923 ( -0.308 1.225 -1.595) 2.035 1.950 ( 0.271 1.822 -1.429) 2.331 1.982 ( -1.248 -1.273 -1.924) 2.623 2.030 ( 1.482 -1.183 -2.290) 2.973 2.039 ( -1.819 -2.760 -1.262) 3.538 2.114 ( -1.798 3.079 -0.250) 3.574 2.217 ( -0.765 -1.592 -0.308) 1.793 2.233 ( 2.552 3.519 -1.219) 4.515 2.305 ( 1.562 -2.360 1.218) 3.081 2.310 ( 0.374 -3.957 -0.885) 4.072 2.356 ( 1.756 -4.561 2.913) 5.689 2.431 ( 3.151 3.078 2.480) 5.055 2.479 ( 0.149 0.397 0.114) 0.439 2.562 ( -2.909 1.221 -1.876) 3.670 2.607 ( -0.296 -4.010 -2.876) 4.944 2.697 ( 2.426 4.657 1.793) 5.549 2.794 ( 1.025 -3.072 3.398) 4.694 2.813 ( 3.537 1.586 1.010) 4.006 2.852 ( 1.078 -1.820 1.162) 2.413 2.930 ( 0.671 5.101 0.059) 5.145 3.021 ( 1.224 -2.636 1.011) 3.078 3.148 ( -0.106 2.048 -0.055) 2.051 3.193 ( -1.098 -1.728 -0.567) 2.125 3.491 ( -0.427 -0.672 -0.140) 0.808 3.523 ( -1.843 -3.858 1.290) 4.466 3.934 ( 1.029 6.954 -1.009) 7.102 4.055 ( 3.218 0.074 1.871) 3.724 4.099 ( -1.360 -0.848 -0.299) 1.631 4.141 ( -0.918 -0.414 -0.666) 1.207 4.174 ( -1.479 -3.160 2.588) 4.344 4.202 ( -0.574 -6.408 1.445) 6.594 4.812 ( 1.634 4.031 -2.523) 5.028 4.867 ( 1.606 -1.729 -1.915) 3.039 4.965 ( -1.317 2.911 0.464) 3.228 5.041 ( -0.209 -4.002 -1.010) 4.132 5.431 ( 5.332 10.742 -4.700) 12.881 5.638 ( 7.882 -8.034 -7.270) 13.399 7.923 ( 1.150 3.472 3.031) 4.750 7.989 ( 0.931 -2.704 4.207) 5.086 8.362 ( -0.580 7.466 -1.579) 7.653 8.505 ( 2.085 -5.980 -1.475) 6.503 8.547 ( -4.136 0.918 4.014) 5.836 8.567 ( -1.802 -1.131 -0.205) 2.138 9.759 ( -3.236 0.656 -3.382) 4.726 9.776 ( -4.363 -0.925 -1.304) 4.647 10.091 ( -0.347 0.118 -0.176) 0.407 10.109 ( -0.239 -1.398 1.016) 1.745 12.683 ( -0.651 2.149 0.312) 2.267 12.713 ( -1.124 -0.500 0.380) 1.287 12.976 ( 0.637 0.703 3.191) 3.329 12.982 ( 2.735 0.773 1.114) 3.053 13.368 ( -0.999 3.037 -2.901) 4.318 13.397 ( 2.056 0.881 0.729) 2.353 13.534 ( 3.775 -0.758 -2.933) 4.840 13.591 ( 3.310 -4.301 2.115) 5.825 13.854 ( 1.105 4.173 -4.496) 6.233 13.937 ( 1.127 -3.347 -5.646) 6.660 17.015 ( 1.966 3.219 2.932) 4.777 17.075 ( 2.946 -2.243 2.356) 4.389 23.033 ( 2.104 2.774 1.166) 3.672 23.068 ( 3.617 -0.156 0.735) 3.695 24.763 ( -0.155 0.534 0.163) 0.579 24.777 ( -0.209 -0.703 0.714) 1.023 26.065 ( -1.303 1.877 -1.372) 2.666 26.107 ( -1.974 -1.379 -1.342) 2.757 26.159 ( -4.176 0.901 0.420) 4.293 26.214 ( -7.652 -3.050 1.927) 8.460 26.344 ( -0.243 4.200 -2.500) 4.894 26.415 ( -3.371 -1.890 -2.959) 4.868 26.596 ( -0.868 1.589 -0.547) 1.891 26.670 ( -2.858 -4.650 1.229) 5.595 27.046 ( 7.606 6.759 2.499) 10.478 27.187 ( 6.111 -6.581 1.379) 9.086======================= Grid point 116 (69/69) =======================q-point: (-0.11 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.847 ( -5.290 9.030 4.098) 11.239 0.892 ( -4.667 7.946 6.721) 11.406 0.999 ( -3.591 -2.827 3.482) 5.745 1.048 ( -0.362 0.931 -0.274) 1.036 1.078 ( -2.391 -5.510 2.905) 6.672 1.090 ( -2.998 -1.306 -1.929) 3.797 1.179 ( -0.713 -0.130 -4.933) 4.986 1.211 ( -0.343 -3.195 -3.329) 4.627 1.416 ( -1.476 2.801 0.138) 3.169 1.438 ( -1.705 -0.486 -0.300) 1.798 1.487 ( -2.310 -1.174 1.380) 2.936 1.511 ( -3.227 -1.683 -0.714) 3.709 1.564 ( 0.494 -0.133 -3.331) 3.370 1.600 ( 1.166 -1.408 2.727) 3.283 1.716 ( -1.223 6.507 2.032) 6.925 1.779 ( -4.242 -0.096 -2.292) 4.823 1.856 ( -0.645 4.884 -5.174) 7.145 1.874 ( -2.482 -1.142 0.693) 2.819 1.929 ( -2.767 -2.320 1.640) 3.966 1.977 ( -0.358 -2.324 -0.912) 2.522 2.018 ( 0.609 -2.703 -2.920) 4.025 2.029 ( 1.448 -1.991 0.856) 2.607 2.117 ( 1.305 3.067 0.741) 3.414 2.204 ( -0.381 -4.434 0.127) 4.452 2.247 ( 1.309 2.608 -2.283) 3.705 2.310 ( -0.903 -3.218 -1.138) 3.531 2.357 ( 1.817 3.752 2.955) 5.110 2.415 ( -0.647 2.334 3.070) 3.911 2.439 ( 0.170 -0.757 1.639) 1.813 2.499 ( -2.382 -2.430 1.214) 3.613 2.546 ( 3.414 2.282 3.816) 5.606 2.632 ( 2.663 -4.838 2.249) 5.963 2.719 ( 0.595 5.623 -2.180) 6.060 2.820 ( -0.134 -2.945 -1.086) 3.142 2.861 ( 1.103 0.508 -0.517) 1.319 2.873 ( 0.867 -0.528 1.638) 1.928 2.925 ( -0.790 3.563 -1.246) 3.856 3.013 ( -0.859 -3.565 -1.710) 4.046 3.158 ( 1.067 0.742 0.035) 1.300 3.180 ( 0.158 -1.497 -0.339) 1.543 3.483 ( -0.278 -0.770 -0.140) 0.830 3.503 ( -2.341 -3.095 1.046) 4.020 3.936 ( 0.826 5.224 -0.762) 5.343 4.051 ( -1.037 -4.445 -2.733) 5.321 4.108 ( -1.239 3.315 0.674) 3.602 4.116 ( 0.138 2.543 -0.157) 2.551 4.184 ( -0.334 -4.627 1.462) 4.864 4.237 ( -0.060 -6.715 3.326) 7.494 4.825 ( 3.097 5.221 -1.973) 6.383 4.869 ( 1.266 0.305 -1.767) 2.195 4.951 ( -1.368 1.690 1.236) 2.501 5.021 ( -1.185 -4.416 -0.480) 4.597 5.476 ( 5.733 9.763 -2.474) 11.588 5.657 ( 5.919 -6.532 -8.149) 12.005 7.926 ( -2.505 3.035 -0.294) 3.946 7.995 ( -3.607 -3.034 0.228) 4.719 8.358 ( 1.344 5.119 0.312) 5.302 8.463 ( -1.598 -5.097 -1.778) 5.630 8.558 ( -0.507 3.506 5.018) 6.143 8.635 ( 3.813 -2.596 3.548) 5.819 9.667 ( -2.721 0.861 -3.585) 4.582 9.690 ( -3.606 -1.068 -2.436) 4.481 10.095 ( 0.410 1.079 0.738) 1.370 10.119 ( -0.077 -1.042 0.910) 1.385 12.681 ( -0.349 1.494 0.710) 1.691 12.701 ( -0.676 -0.288 0.463) 0.868 13.025 ( 0.522 2.299 3.470) 4.195 13.047 ( 2.257 1.003 2.412) 3.452 13.302 ( -1.738 2.511 -3.338) 4.524 13.409 ( 0.776 -5.717 -3.261) 6.627 13.546 ( 1.607 2.051 -2.836) 3.851 13.611 ( -0.373 -2.594 -2.026) 3.313 13.861 ( 3.613 1.327 -1.985) 4.331 13.897 ( 1.416 -2.233 -4.102) 4.881 17.101 ( 2.731 3.992 4.595) 6.671 17.158 ( 3.130 -1.299 2.882) 4.448 23.079 ( 1.556 2.961 1.504) 3.668 23.125 ( 2.644 -1.026 -0.143) 2.840 24.768 ( 0.296 0.627 0.531) 0.874 24.782 ( -0.235 -0.631 0.718) 0.984 26.039 ( -1.108 1.350 0.339) 1.779 26.067 ( -1.335 -0.707 -0.606) 1.628 26.102 ( -3.366 -0.154 -0.222) 3.377 26.123 ( -3.909 -1.756 -0.375) 4.302 26.326 ( -0.067 2.263 -0.547) 2.330 26.350 ( -2.419 0.206 -0.650) 2.514 26.561 ( -0.917 0.457 -2.319) 2.535 26.612 ( -3.280 -3.824 -1.827) 5.359 27.191 ( 5.311 4.597 3.826) 7.998 27.290 ( 4.293 -4.659 1.107) 6.432=================== 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 3/20250 10.0 28.814 28.465 29.041 0.000 0.364 0.000 3/20250 20.0 5.465 5.096 5.404 0.000 0.104 0.000 3/20250 30.0 2.702 2.429 2.626 0.000 0.072 0.000 3/20250 40.0 1.782 1.580 1.715 0.000 0.054 0.000 3/20250 50.0 1.334 1.178 1.277 0.000 0.044 0.000 3/20250 60.0 1.072 0.947 1.023 0.000 0.037 0.000 3/20250 70.0 0.900 0.796 0.858 0.000 0.032 0.000 3/20250 80.0 0.779 0.690 0.742 0.000 0.028 0.000 3/20250 90.0 0.689 0.612 0.657 0.000 0.025 0.000 3/20250 100.0 0.619 0.552 0.591 0.000 0.023 0.000 3/20250 110.0 0.564 0.504 0.540 0.000 0.021 0.000 3/20250 120.0 0.519 0.465 0.498 0.000 0.019 0.000 3/20250 130.0 0.481 0.432 0.463 0.000 0.018 0.000 3/20250 140.0 0.450 0.405 0.434 0.000 0.016 0.000 3/20250 150.0 0.423 0.381 0.409 0.000 0.015 0.000 3/20250 160.0 0.399 0.361 0.387 0.000 0.014 0.000 3/20250 170.0 0.379 0.343 0.368 0.000 0.014 0.000 3/20250 180.0 0.360 0.327 0.351 0.000 0.013 0.000 3/20250 190.0 0.344 0.312 0.336 0.000 0.012 0.000 3/20250 200.0 0.329 0.299 0.322 0.000 0.011 0.000 3/20250 210.0 0.316 0.287 0.309 0.000 0.011 0.000 3/20250 220.0 0.304 0.276 0.298 0.000 0.010 0.000 3/20250 230.0 0.293 0.266 0.287 0.000 0.010 0.000 3/20250 240.0 0.283 0.257 0.277 0.000 0.009 0.000 3/20250 250.0 0.273 0.249 0.268 0.000 0.009 0.000 3/20250 260.0 0.265 0.241 0.260 0.000 0.009 0.000 3/20250 270.0 0.257 0.233 0.252 0.000 0.008 0.000 3/20250 280.0 0.249 0.226 0.244 0.000 0.008 0.000 3/20250 290.0 0.242 0.220 0.237 0.000 0.008 0.000 3/20250 300.0 0.235 0.213 0.231 0.000 0.007 0.000 3/20250 310.0 0.229 0.208 0.225 0.000 0.007 0.000 3/20250 320.0 0.223 0.202 0.219 0.000 0.007 0.000 3/20250 330.0 0.218 0.197 0.213 0.000 0.007 0.000 3/20250 340.0 0.212 0.192 0.208 0.000 0.006 0.000 3/20250 350.0 0.208 0.187 0.203 0.000 0.006 0.000 3/20250 360.0 0.203 0.183 0.198 0.000 0.006 0.000 3/20250 370.0 0.198 0.179 0.193 0.000 0.006 0.000 3/20250 380.0 0.194 0.175 0.189 0.000 0.006 0.000 3/20250 390.0 0.190 0.171 0.185 0.000 0.006 0.000 3/20250 400.0 0.186 0.167 0.181 0.000 0.005 0.000 3/20250 410.0 0.182 0.164 0.177 0.000 0.005 0.000 3/20250 420.0 0.179 0.160 0.174 0.000 0.005 0.000 3/20250 430.0 0.175 0.157 0.170 0.000 0.005 0.000 3/20250 440.0 0.172 0.154 0.167 0.000 0.005 0.000 3/20250 450.0 0.169 0.151 0.163 0.000 0.005 0.000 3/20250 460.0 0.166 0.148 0.160 0.000 0.005 0.000 3/20250 470.0 0.163 0.145 0.157 0.000 0.004 0.000 3/20250 480.0 0.160 0.143 0.154 0.000 0.004 0.000 3/20250 490.0 0.157 0.140 0.152 0.000 0.004 0.000 3/20250 500.0 0.154 0.138 0.149 0.000 0.004 0.000 3/20250 510.0 0.152 0.135 0.146 0.000 0.004 0.000 3/20250 520.0 0.149 0.133 0.144 0.000 0.004 0.000 3/20250 530.0 0.147 0.131 0.141 0.000 0.004 0.000 3/20250 540.0 0.145 0.129 0.139 0.000 0.004 0.000 3/20250 550.0 0.142 0.127 0.137 0.000 0.004 0.000 3/20250 560.0 0.140 0.125 0.135 0.000 0.004 0.000 3/20250 570.0 0.138 0.123 0.133 0.000 0.004 0.000 3/20250 580.0 0.136 0.121 0.131 0.000 0.003 0.000 3/20250 590.0 0.134 0.119 0.129 0.000 0.003 0.000 3/20250 600.0 0.132 0.117 0.127 0.000 0.003 0.000 3/20250 610.0 0.130 0.115 0.125 0.000 0.003 0.000 3/20250 620.0 0.128 0.114 0.123 0.000 0.003 0.000 3/20250 630.0 0.127 0.112 0.121 0.000 0.003 0.000 3/20250 640.0 0.125 0.110 0.119 0.000 0.003 0.000 3/20250 650.0 0.123 0.109 0.118 0.000 0.003 0.000 3/20250 660.0 0.121 0.107 0.116 0.000 0.003 0.000 3/20250 670.0 0.120 0.106 0.115 0.000 0.003 0.000 3/20250 680.0 0.118 0.104 0.113 0.000 0.003 0.000 3/20250 690.0 0.117 0.103 0.111 0.000 0.003 0.000 3/20250 700.0 0.115 0.102 0.110 0.000 0.003 0.000 3/20250 710.0 0.114 0.100 0.109 0.000 0.003 0.000 3/20250 720.0 0.112 0.099 0.107 0.000 0.003 0.000 3/20250 730.0 0.111 0.098 0.106 0.000 0.003 0.000 3/20250 740.0 0.110 0.097 0.105 0.000 0.003 0.000 3/20250 750.0 0.108 0.095 0.103 0.000 0.003 0.000 3/20250 760.0 0.107 0.094 0.102 0.000 0.003 0.000 3/20250 770.0 0.106 0.093 0.101 0.000 0.002 0.000 3/20250 780.0 0.105 0.092 0.100 0.000 0.002 0.000 3/20250 790.0 0.104 0.091 0.098 0.000 0.002 0.000 3/20250 800.0 0.102 0.090 0.097 0.000 0.002 0.000 3/20250 810.0 0.101 0.089 0.096 0.000 0.002 0.000 3/20250 820.0 0.100 0.088 0.095 0.000 0.002 0.000 3/20250 830.0 0.099 0.087 0.094 0.000 0.002 0.000 3/20250 840.0 0.098 0.086 0.093 0.000 0.002 0.000 3/20250 850.0 0.097 0.085 0.092 0.000 0.002 0.000 3/20250 860.0 0.096 0.084 0.091 0.000 0.002 0.000 3/20250 870.0 0.095 0.083 0.090 0.000 0.002 0.000 3/20250 880.0 0.094 0.082 0.089 0.000 0.002 0.000 3/20250 890.0 0.093 0.081 0.088 0.000 0.002 0.000 3/20250 900.0 0.092 0.081 0.087 0.000 0.002 0.000 3/20250 910.0 0.091 0.080 0.086 0.000 0.002 0.000 3/20250 920.0 0.090 0.079 0.085 0.000 0.002 0.000 3/20250 930.0 0.089 0.078 0.084 0.000 0.002 0.000 3/20250 940.0 0.088 0.077 0.084 0.000 0.002 0.000 3/20250 950.0 0.088 0.077 0.083 0.000 0.002 0.000 3/20250 960.0 0.087 0.076 0.082 0.000 0.002 0.000 3/20250 970.0 0.086 0.075 0.081 0.000 0.002 0.000 3/20250 980.0 0.085 0.074 0.080 0.000 0.002 0.000 3/20250 990.0 0.084 0.074 0.080 0.000 0.002 0.000 3/20250 1000.0 0.083 0.073 0.079 0.000 0.002 0.000 3/20250Thermal conductivity related properties were written into "kappa-m955.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 04:31:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|