----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:09:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.215246900000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.070628479999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.039441829999999 Atomic positions (fractional): *1 O 0.27155781741125 0.07335849409454 0.46352173168502 15.999 2 O 0.27155781741125 0.42664150590547 0.53647826831498 15.999 3 O 0.72844218258875 0.57335849409453 0.03647826831498 15.999 4 O 0.72844218258875 0.92664150590547 0.96352173168502 15.999 5 O 0.72844218258875 0.92664150590547 0.53647826831498 15.999 6 O 0.72844218258875 0.57335849409453 0.46352173168502 15.999 7 O 0.27155781741125 0.42664150590547 0.96352173168502 15.999 8 O 0.27155781741125 0.07335849409454 0.03647826831498 15.999 *9 O 0.05264414827121 0.76651344811279 0.38281029923361 15.999 10 O 0.05264414827121 0.76651344811279 0.11718970076639 15.999 11 O 0.94735585172879 0.26651344811279 0.11718970076639 15.999 12 O 0.94735585172879 0.23348655188721 0.88281029923361 15.999 13 O 0.94735585172879 0.23348655188721 0.61718970076639 15.999 14 O 0.94735585172879 0.26651344811279 0.38281029923361 15.999 15 O 0.05264414827121 0.73348655188721 0.88281029923361 15.999 16 O 0.05264414827121 0.73348655188721 0.61718970076639 15.999 *17 Si 0.11309838466944 0.25000000000000 0.00000000000000 28.085 18 Si 0.88690161533056 0.75000000000000 0.00000000000000 28.085 19 Si 0.88690161533056 0.75000000000000 0.50000000000000 28.085 20 Si 0.11309838466944 0.25000000000000 0.50000000000000 28.085 *21 Te 0.59887318855175 0.58102794528039 0.75000000000000 127.600 22 Te 0.59887318855175 0.91897205471961 0.25000000000000 127.600 23 Te 0.40112681144825 0.08102794528039 0.75000000000000 127.600 24 Te 0.40112681144825 0.41897205471961 0.25000000000000 127.600 *25 Sm 0.38899530941587 0.75000000000000 0.50000000000000 150.360 26 Sm 0.38899530941587 0.75000000000000 0.00000000000000 150.360 27 Sm 0.61100469058413 0.25000000000000 0.50000000000000 150.360 28 Sm 0.61100469058413 0.25000000000000 0.00000000000000 150.360 *29 Sm 0.88636783287847 0.96400944416620 0.75000000000000 150.360 30 Sm 0.88636783287847 0.53599055583380 0.25000000000000 150.360 31 Sm 0.11363216712153 0.46400944416620 0.75000000000000 150.360 32 Sm 0.11363216712153 0.03599055583380 0.25000000000000 150.360 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.215246900000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.070628479999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.039441829999999 Atomic positions (fractional): *1 O 0.27155781741125 0.07335849409454 0.46352173168502 15.999 > 1 2 O 0.27155781741125 0.42664150590547 0.53647826831498 15.999 > 2 3 O 0.72844218258875 0.57335849409453 0.03647826831498 15.999 > 3 4 O 0.72844218258875 0.92664150590547 0.96352173168502 15.999 > 4 5 O 0.72844218258875 0.92664150590547 0.53647826831498 15.999 > 5 6 O 0.72844218258875 0.57335849409453 0.46352173168502 15.999 > 6 7 O 0.27155781741125 0.42664150590547 0.96352173168502 15.999 > 7 8 O 0.27155781741125 0.07335849409454 0.03647826831498 15.999 > 8 *9 O 0.05264414827121 0.76651344811279 0.38281029923361 15.999 > 9 10 O 0.05264414827121 0.76651344811279 0.11718970076639 15.999 > 10 11 O 0.94735585172879 0.26651344811279 0.11718970076639 15.999 > 11 12 O 0.94735585172879 0.23348655188721 0.88281029923361 15.999 > 12 13 O 0.94735585172879 0.23348655188721 0.61718970076639 15.999 > 13 14 O 0.94735585172879 0.26651344811279 0.38281029923361 15.999 > 14 15 O 0.05264414827121 0.73348655188721 0.88281029923361 15.999 > 15 16 O 0.05264414827121 0.73348655188721 0.61718970076639 15.999 > 16 *17 Si 0.11309838466944 0.25000000000000 0.00000000000000 28.085 > 17 18 Si 0.88690161533056 0.75000000000000 0.00000000000000 28.085 > 18 19 Si 0.88690161533056 0.75000000000000 0.50000000000000 28.085 > 19 20 Si 0.11309838466944 0.25000000000000 0.50000000000000 28.085 > 20 *21 Te 0.59887318855175 0.58102794528039 0.75000000000000 127.600 > 21 22 Te 0.59887318855175 0.91897205471961 0.25000000000000 127.600 > 22 23 Te 0.40112681144825 0.08102794528039 0.75000000000000 127.600 > 23 24 Te 0.40112681144825 0.41897205471961 0.25000000000000 127.600 > 24 *25 Sm 0.38899530941587 0.75000000000000 0.50000000000000 150.360 > 25 26 Sm 0.38899530941587 0.75000000000000 0.00000000000000 150.360 > 26 27 Sm 0.61100469058413 0.25000000000000 0.50000000000000 150.360 > 27 28 Sm 0.61100469058413 0.25000000000000 0.00000000000000 150.360 > 28 *29 Sm 0.88636783287847 0.96400944416620 0.75000000000000 150.360 > 29 30 Sm 0.88636783287847 0.53599055583380 0.25000000000000 150.360 > 30 31 Sm 0.11363216712153 0.46400944416620 0.75000000000000 150.360 > 31 32 Sm 0.11363216712153 0.03599055583380 0.25000000000000 150.360 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.430493800000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.141256959999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.039441829999999 Atomic positions (fractional): *1 O 0.13577890870563 0.03667924704727 0.46352173168502 15.999 > 1 2 O 0.63577890870563 0.03667924704727 0.46352173168502 15.999 > 1 3 O 0.13577890870563 0.53667924704727 0.46352173168502 15.999 > 1 4 O 0.63577890870563 0.53667924704727 0.46352173168502 15.999 > 1 5 O 0.13577890870563 0.21332075295273 0.53647826831498 15.999 > 2 6 O 0.63577890870563 0.21332075295273 0.53647826831498 15.999 > 2 7 O 0.13577890870563 0.71332075295273 0.53647826831498 15.999 > 2 8 O 0.63577890870563 0.71332075295273 0.53647826831498 15.999 > 2 9 O 0.36422109129437 0.28667924704727 0.03647826831498 15.999 > 3 10 O 0.86422109129437 0.28667924704727 0.03647826831498 15.999 > 3 11 O 0.36422109129437 0.78667924704727 0.03647826831498 15.999 > 3 12 O 0.86422109129437 0.78667924704727 0.03647826831498 15.999 > 3 13 O 0.36422109129437 0.46332075295273 0.96352173168502 15.999 > 4 14 O 0.86422109129437 0.46332075295273 0.96352173168502 15.999 > 4 15 O 0.36422109129437 0.96332075295273 0.96352173168502 15.999 > 4 16 O 0.86422109129437 0.96332075295273 0.96352173168502 15.999 > 4 17 O 0.36422109129437 0.46332075295273 0.53647826831498 15.999 > 5 18 O 0.86422109129437 0.46332075295273 0.53647826831498 15.999 > 5 19 O 0.36422109129437 0.96332075295273 0.53647826831498 15.999 > 5 20 O 0.86422109129437 0.96332075295273 0.53647826831498 15.999 > 5 21 O 0.36422109129437 0.28667924704727 0.46352173168502 15.999 > 6 22 O 0.86422109129437 0.28667924704727 0.46352173168502 15.999 > 6 23 O 0.36422109129437 0.78667924704727 0.46352173168502 15.999 > 6 24 O 0.86422109129437 0.78667924704727 0.46352173168502 15.999 > 6 25 O 0.13577890870563 0.21332075295273 0.96352173168502 15.999 > 7 26 O 0.63577890870563 0.21332075295273 0.96352173168502 15.999 > 7 27 O 0.13577890870563 0.71332075295273 0.96352173168502 15.999 > 7 28 O 0.63577890870563 0.71332075295273 0.96352173168502 15.999 > 7 29 O 0.13577890870563 0.03667924704727 0.03647826831498 15.999 > 8 30 O 0.63577890870563 0.03667924704727 0.03647826831498 15.999 > 8 31 O 0.13577890870563 0.53667924704727 0.03647826831498 15.999 > 8 32 O 0.63577890870563 0.53667924704727 0.03647826831498 15.999 > 8 *33 O 0.02632207413560 0.38325672405640 0.38281029923361 15.999 > 9 34 O 0.52632207413560 0.38325672405640 0.38281029923361 15.999 > 9 35 O 0.02632207413560 0.88325672405640 0.38281029923361 15.999 > 9 36 O 0.52632207413560 0.88325672405640 0.38281029923361 15.999 > 9 37 O 0.02632207413560 0.38325672405640 0.11718970076639 15.999 > 10 38 O 0.52632207413560 0.38325672405640 0.11718970076639 15.999 > 10 39 O 0.02632207413560 0.88325672405640 0.11718970076639 15.999 > 10 40 O 0.52632207413560 0.88325672405640 0.11718970076639 15.999 > 10 41 O 0.47367792586440 0.13325672405640 0.11718970076639 15.999 > 11 42 O 0.97367792586440 0.13325672405640 0.11718970076639 15.999 > 11 43 O 0.47367792586440 0.63325672405640 0.11718970076639 15.999 > 11 44 O 0.97367792586440 0.63325672405640 0.11718970076639 15.999 > 11 45 O 0.47367792586440 0.11674327594360 0.88281029923361 15.999 > 12 46 O 0.97367792586440 0.11674327594360 0.88281029923361 15.999 > 12 47 O 0.47367792586440 0.61674327594360 0.88281029923361 15.999 > 12 48 O 0.97367792586440 0.61674327594360 0.88281029923361 15.999 > 12 49 O 0.47367792586440 0.11674327594360 0.61718970076639 15.999 > 13 50 O 0.97367792586440 0.11674327594360 0.61718970076639 15.999 > 13 51 O 0.47367792586440 0.61674327594360 0.61718970076639 15.999 > 13 52 O 0.97367792586440 0.61674327594360 0.61718970076639 15.999 > 13 53 O 0.47367792586440 0.13325672405640 0.38281029923361 15.999 > 14 54 O 0.97367792586440 0.13325672405640 0.38281029923361 15.999 > 14 55 O 0.47367792586440 0.63325672405640 0.38281029923361 15.999 > 14 56 O 0.97367792586440 0.63325672405640 0.38281029923361 15.999 > 14 57 O 0.02632207413560 0.36674327594360 0.88281029923361 15.999 > 15 58 O 0.52632207413560 0.36674327594360 0.88281029923361 15.999 > 15 59 O 0.02632207413560 0.86674327594360 0.88281029923361 15.999 > 15 60 O 0.52632207413560 0.86674327594360 0.88281029923361 15.999 > 15 61 O 0.02632207413560 0.36674327594360 0.61718970076639 15.999 > 16 62 O 0.52632207413560 0.36674327594360 0.61718970076639 15.999 > 16 63 O 0.02632207413560 0.86674327594360 0.61718970076639 15.999 > 16 64 O 0.52632207413560 0.86674327594360 0.61718970076639 15.999 > 16 *65 Si 0.05654919233472 0.12500000000000 0.00000000000000 28.085 > 17 66 Si 0.55654919233472 0.12500000000000 0.00000000000000 28.085 > 17 67 Si 0.05654919233472 0.62500000000000 0.00000000000000 28.085 > 17 68 Si 0.55654919233472 0.62500000000000 0.00000000000000 28.085 > 17 69 Si 0.44345080766528 0.37500000000000 0.00000000000000 28.085 > 18 70 Si 0.94345080766528 0.37500000000000 0.00000000000000 28.085 > 18 71 Si 0.44345080766528 0.87500000000000 0.00000000000000 28.085 > 18 72 Si 0.94345080766528 0.87500000000000 0.00000000000000 28.085 > 18 73 Si 0.44345080766528 0.37500000000000 0.50000000000000 28.085 > 19 74 Si 0.94345080766528 0.37500000000000 0.50000000000000 28.085 > 19 75 Si 0.44345080766528 0.87500000000000 0.50000000000000 28.085 > 19 76 Si 0.94345080766528 0.87500000000000 0.50000000000000 28.085 > 19 77 Si 0.05654919233472 0.12500000000000 0.50000000000000 28.085 > 20 78 Si 0.55654919233472 0.12500000000000 0.50000000000000 28.085 > 20 79 Si 0.05654919233472 0.62500000000000 0.50000000000000 28.085 > 20 80 Si 0.55654919233472 0.62500000000000 0.50000000000000 28.085 > 20 *81 Te 0.29943659427588 0.29051397264020 0.75000000000000 127.600 > 21 82 Te 0.79943659427588 0.29051397264020 0.75000000000000 127.600 > 21 83 Te 0.29943659427588 0.79051397264020 0.75000000000000 127.600 > 21 84 Te 0.79943659427588 0.79051397264020 0.75000000000000 127.600 > 21 85 Te 0.29943659427588 0.45948602735980 0.25000000000000 127.600 > 22 86 Te 0.79943659427588 0.45948602735980 0.25000000000000 127.600 > 22 87 Te 0.29943659427588 0.95948602735980 0.25000000000000 127.600 > 22 88 Te 0.79943659427588 0.95948602735980 0.25000000000000 127.600 > 22 89 Te 0.20056340572412 0.04051397264020 0.75000000000000 127.600 > 23 90 Te 0.70056340572412 0.04051397264020 0.75000000000000 127.600 > 23 91 Te 0.20056340572412 0.54051397264020 0.75000000000000 127.600 > 23 92 Te 0.70056340572412 0.54051397264020 0.75000000000000 127.600 > 23 93 Te 0.20056340572412 0.20948602735980 0.25000000000000 127.600 > 24 94 Te 0.70056340572412 0.20948602735980 0.25000000000000 127.600 > 24 95 Te 0.20056340572412 0.70948602735980 0.25000000000000 127.600 > 24 96 Te 0.70056340572412 0.70948602735980 0.25000000000000 127.600 > 24 *97 Sm 0.19449765470794 0.37500000000000 0.50000000000000 150.360 > 25 98 Sm 0.69449765470794 0.37500000000000 0.50000000000000 150.360 > 25 99 Sm 0.19449765470794 0.87500000000000 0.50000000000000 150.360 > 25 100 Sm 0.69449765470794 0.87500000000000 0.50000000000000 150.360 > 25 101 Sm 0.19449765470794 0.37500000000000 0.00000000000000 150.360 > 26 102 Sm 0.69449765470794 0.37500000000000 0.00000000000000 150.360 > 26 103 Sm 0.19449765470794 0.87500000000000 0.00000000000000 150.360 > 26 104 Sm 0.69449765470794 0.87500000000000 0.00000000000000 150.360 > 26 105 Sm 0.30550234529206 0.12500000000000 0.50000000000000 150.360 > 27 106 Sm 0.80550234529206 0.12500000000000 0.50000000000000 150.360 > 27 107 Sm 0.30550234529206 0.62500000000000 0.50000000000000 150.360 > 27 108 Sm 0.80550234529206 0.62500000000000 0.50000000000000 150.360 > 27 109 Sm 0.30550234529206 0.12500000000000 0.00000000000000 150.360 > 28 110 Sm 0.80550234529206 0.12500000000000 0.00000000000000 150.360 > 28 111 Sm 0.30550234529206 0.62500000000000 0.00000000000000 150.360 > 28 112 Sm 0.80550234529206 0.62500000000000 0.00000000000000 150.360 > 28 *113 Sm 0.44318391643923 0.48200472208310 0.75000000000000 150.360 > 29 114 Sm 0.94318391643923 0.48200472208310 0.75000000000000 150.360 > 29 115 Sm 0.44318391643923 0.98200472208310 0.75000000000000 150.360 > 29 116 Sm 0.94318391643923 0.98200472208310 0.75000000000000 150.360 > 29 117 Sm 0.44318391643923 0.26799527791690 0.25000000000000 150.360 > 30 118 Sm 0.94318391643923 0.26799527791690 0.25000000000000 150.360 > 30 119 Sm 0.44318391643923 0.76799527791690 0.25000000000000 150.360 > 30 120 Sm 0.94318391643923 0.76799527791690 0.25000000000000 150.360 > 30 121 Sm 0.05681608356077 0.23200472208310 0.75000000000000 150.360 > 31 122 Sm 0.55681608356077 0.23200472208310 0.75000000000000 150.360 > 31 123 Sm 0.05681608356077 0.73200472208310 0.75000000000000 150.360 > 31 124 Sm 0.55681608356077 0.73200472208310 0.75000000000000 150.360 > 31 125 Sm 0.05681608356077 0.01799527791690 0.25000000000000 150.360 > 32 126 Sm 0.55681608356077 0.01799527791690 0.25000000000000 150.360 > 32 127 Sm 0.05681608356077 0.51799527791690 0.25000000000000 150.360 > 32 128 Sm 0.55681608356077 0.51799527791690 0.25000000000000 150.360 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.1804586 0.0000000 0.0000000 0.0000000 6.5596014 0.0000000 0.0000000 0.0000000 6.1596377 -------------------------- Born effective charges -------------------------- 1 O -2.1658190 0.2928775 -0.0648838 0.3850466 -2.5201650 -0.0932996 -0.0638557 -0.0986505 -2.5501213 2 O -2.1658190 -0.2928775 0.0648838 -0.3850466 -2.5201650 -0.0932996 0.0638557 -0.0986505 -2.5501213 3 O -2.1658190 -0.2928775 -0.0648838 -0.3850466 -2.5201650 0.0932996 -0.0638557 0.0986505 -2.5501213 4 O -2.1658190 0.2928775 0.0648838 0.3850466 -2.5201650 0.0932996 0.0638557 0.0986505 -2.5501213 5 O -2.1658190 0.2928775 -0.0648838 0.3850466 -2.5201650 -0.0932996 -0.0638557 -0.0986505 -2.5501213 6 O -2.1658190 -0.2928775 0.0648838 -0.3850466 -2.5201650 -0.0932996 0.0638557 -0.0986505 -2.5501213 7 O -2.1658190 -0.2928775 -0.0648838 -0.3850466 -2.5201650 0.0932996 -0.0638557 0.0986505 -2.5501213 8 O -2.1658190 0.2928775 0.0648838 0.3850466 -2.5201650 0.0932996 0.0638557 0.0986505 -2.5501213 9 O -2.8079976 -0.2284775 0.0369492 -0.0601277 -1.9917219 0.2254567 -0.0266937 0.0183473 -2.5418379 10 O -2.8079976 -0.2284775 -0.0369492 -0.0601277 -1.9917219 -0.2254567 0.0266937 -0.0183473 -2.5418379 11 O -2.8079976 0.2284775 0.0369492 0.0601277 -1.9917219 -0.2254567 -0.0266937 -0.0183473 -2.5418379 12 O -2.8079976 -0.2284775 -0.0369492 -0.0601277 -1.9917219 -0.2254567 0.0266937 -0.0183473 -2.5418379 13 O -2.8079976 -0.2284775 0.0369492 -0.0601277 -1.9917219 0.2254567 -0.0266937 0.0183473 -2.5418379 14 O -2.8079976 0.2284775 -0.0369492 0.0601277 -1.9917219 0.2254567 0.0266937 0.0183473 -2.5418379 15 O -2.8079976 0.2284775 0.0369492 0.0601277 -1.9917219 -0.2254567 -0.0266937 -0.0183473 -2.5418379 16 O -2.8079976 0.2284775 -0.0369492 0.0601277 -1.9917219 0.2254567 0.0266937 0.0183473 -2.5418379 17 Si 3.8260071 0.0000000 0.0000000 0.0000000 2.6322561 0.1930905 0.0000000 -0.0754544 3.8771829 18 Si 3.8260071 0.0000000 0.0000000 0.0000000 2.6322561 0.1930905 0.0000000 -0.0754544 3.8771829 19 Si 3.8260071 0.0000000 0.0000000 0.0000000 2.6322561 -0.1930905 0.0000000 0.0754544 3.8771829 20 Si 3.8260071 0.0000000 0.0000000 0.0000000 2.6322561 -0.1930905 0.0000000 0.0754544 3.8771829 21 Te -2.3205809 -0.1151635 0.0000000 -0.0196724 -2.0444834 0.0000000 0.0000000 0.0000000 -1.9659258 22 Te -2.3205809 0.1151635 0.0000000 0.0196724 -2.0444834 0.0000000 0.0000000 0.0000000 -1.9659258 23 Te -2.3205809 0.1151635 0.0000000 0.0196724 -2.0444834 0.0000000 0.0000000 0.0000000 -1.9659258 24 Te -2.3205809 -0.1151635 0.0000000 -0.0196724 -2.0444834 0.0000000 0.0000000 0.0000000 -1.9659258 25 Sm 3.8957220 0.0000000 0.0000000 0.0000000 4.5017685 0.2193788 0.0000000 0.0906931 4.6529302 26 Sm 3.8957220 0.0000000 0.0000000 0.0000000 4.5017685 -0.2193788 0.0000000 -0.0906931 4.6529302 27 Sm 3.8957220 0.0000000 0.0000000 0.0000000 4.5017685 0.2193788 0.0000000 0.0906931 4.6529302 28 Sm 3.8957220 0.0000000 0.0000000 0.0000000 4.5017685 -0.2193788 0.0000000 -0.0906931 4.6529302 29 Sm 4.5464851 0.3808761 0.0000000 0.3072243 3.9342327 0.0000000 0.0000000 0.0000000 3.6197311 30 Sm 4.5464851 -0.3808761 0.0000000 -0.3072243 3.9342327 0.0000000 0.0000000 0.0000000 3.6197311 31 Sm 4.5464851 -0.3808761 0.0000000 -0.3072243 3.9342327 0.0000000 0.0000000 0.0000000 3.6197311 32 Sm 4.5464851 0.3808761 0.0000000 0.3072243 3.9342327 0.0000000 0.0000000 0.0000000 3.6197311 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2472 Number of blocks in projector: 2472 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 242 eigenvectors found. (2) Block: 528 / 528 (2) 271 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 520 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 464 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2472, 2434), data: False |-- (328, 322), data: True |-- (328, 322), data: True |-- (328, 322), data: True |-- (464, 460), data: True |-- (496, 488), data: True |-- (528, 520), data: False |-- (528, 520), data: False |-- (528, 7), data: (528, 15) @ (15, 7) |-- (278, 271), data: True |-- (250, 242), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 0.757 Solver_block: 200 / 480 - Time: 0.684 Solver_block: 300 / 480 - Time: 0.686 Solver_block: 400 / 480 - Time: 0.679 Solver_block: 480 / 480 - Time: 0.563 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.461 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2472 Number of blocks in projector: 2472 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 242 eigenvectors found. (2) Block: 528 / 528 (2) 271 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 520 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 464 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2472, 2434), data: False |-- (328, 322), data: True |-- (328, 322), data: True |-- (328, 322), data: True |-- (464, 460), data: True |-- (496, 488), data: True |-- (528, 520), data: False |-- (528, 520), data: False |-- (528, 7), data: (528, 15) @ (15, 7) |-- (278, 271), data: True |-- (250, 242), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:10:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:10:01]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.215246900000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.070628479999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.039441829999999 Atomic positions (fractional): 1 O 0.27155781741125 0.07335849409454 0.46352173168502 15.999 2 O 0.27155781741125 0.42664150590547 0.53647826831498 15.999 3 O 0.72844218258875 0.57335849409453 0.03647826831498 15.999 4 O 0.72844218258875 0.92664150590547 0.96352173168502 15.999 5 O 0.72844218258875 0.92664150590547 0.53647826831498 15.999 6 O 0.72844218258875 0.57335849409453 0.46352173168502 15.999 7 O 0.27155781741125 0.42664150590547 0.96352173168502 15.999 8 O 0.27155781741125 0.07335849409454 0.03647826831498 15.999 9 O 0.05264414827121 0.76651344811279 0.38281029923361 15.999 10 O 0.05264414827121 0.76651344811279 0.11718970076639 15.999 11 O 0.94735585172879 0.26651344811279 0.11718970076639 15.999 12 O 0.94735585172879 0.23348655188721 0.88281029923361 15.999 13 O 0.94735585172879 0.23348655188721 0.61718970076639 15.999 14 O 0.94735585172879 0.26651344811279 0.38281029923361 15.999 15 O 0.05264414827121 0.73348655188721 0.88281029923361 15.999 16 O 0.05264414827121 0.73348655188721 0.61718970076639 15.999 17 Si 0.11309838466944 0.25000000000000 0.00000000000000 28.085 18 Si 0.88690161533056 0.75000000000000 0.00000000000000 28.085 19 Si 0.88690161533056 0.75000000000000 0.50000000000000 28.085 20 Si 0.11309838466944 0.25000000000000 0.50000000000000 28.085 21 Te 0.59887318855175 0.58102794528039 0.75000000000000 127.600 22 Te 0.59887318855175 0.91897205471961 0.25000000000000 127.600 23 Te 0.40112681144825 0.08102794528039 0.75000000000000 127.600 24 Te 0.40112681144825 0.41897205471961 0.25000000000000 127.600 25 Sm 0.38899530941587 0.75000000000000 0.50000000000000 150.360 26 Sm 0.38899530941587 0.75000000000000 0.00000000000000 150.360 27 Sm 0.61100469058413 0.25000000000000 0.50000000000000 150.360 28 Sm 0.61100469058413 0.25000000000000 0.00000000000000 150.360 29 Sm 0.88636783287847 0.96400944416620 0.75000000000000 150.360 30 Sm 0.88636783287847 0.53599055583380 0.25000000000000 150.360 31 Sm 0.11363216712153 0.46400944416620 0.75000000000000 150.360 32 Sm 0.11363216712153 0.03599055583380 0.25000000000000 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.430493800000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.141256959999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.039441829999999 Atomic positions (fractional): 1 O 0.13577890870563 0.03667924704727 0.46352173168502 15.999 > 1 2 O 0.63577890870563 0.03667924704727 0.46352173168502 15.999 > 1 3 O 0.13577890870563 0.53667924704727 0.46352173168502 15.999 > 1 4 O 0.63577890870563 0.53667924704727 0.46352173168502 15.999 > 1 5 O 0.13577890870563 0.21332075295273 0.53647826831498 15.999 > 5 6 O 0.63577890870563 0.21332075295273 0.53647826831498 15.999 > 5 7 O 0.13577890870563 0.71332075295273 0.53647826831498 15.999 > 5 8 O 0.63577890870563 0.71332075295273 0.53647826831498 15.999 > 5 9 O 0.36422109129437 0.28667924704727 0.03647826831498 15.999 > 9 10 O 0.86422109129437 0.28667924704727 0.03647826831498 15.999 > 9 11 O 0.36422109129437 0.78667924704727 0.03647826831498 15.999 > 9 12 O 0.86422109129437 0.78667924704727 0.03647826831498 15.999 > 9 13 O 0.36422109129437 0.46332075295273 0.96352173168502 15.999 > 13 14 O 0.86422109129437 0.46332075295273 0.96352173168502 15.999 > 13 15 O 0.36422109129437 0.96332075295273 0.96352173168502 15.999 > 13 16 O 0.86422109129437 0.96332075295273 0.96352173168502 15.999 > 13 17 O 0.36422109129437 0.46332075295273 0.53647826831498 15.999 > 17 18 O 0.86422109129437 0.46332075295273 0.53647826831498 15.999 > 17 19 O 0.36422109129437 0.96332075295273 0.53647826831498 15.999 > 17 20 O 0.86422109129437 0.96332075295273 0.53647826831498 15.999 > 17 21 O 0.36422109129437 0.28667924704727 0.46352173168502 15.999 > 21 22 O 0.86422109129437 0.28667924704727 0.46352173168502 15.999 > 21 23 O 0.36422109129437 0.78667924704727 0.46352173168502 15.999 > 21 24 O 0.86422109129437 0.78667924704727 0.46352173168502 15.999 > 21 25 O 0.13577890870563 0.21332075295273 0.96352173168502 15.999 > 25 26 O 0.63577890870563 0.21332075295273 0.96352173168502 15.999 > 25 27 O 0.13577890870563 0.71332075295273 0.96352173168502 15.999 > 25 28 O 0.63577890870563 0.71332075295273 0.96352173168502 15.999 > 25 29 O 0.13577890870563 0.03667924704727 0.03647826831498 15.999 > 29 30 O 0.63577890870563 0.03667924704727 0.03647826831498 15.999 > 29 31 O 0.13577890870563 0.53667924704727 0.03647826831498 15.999 > 29 32 O 0.63577890870563 0.53667924704727 0.03647826831498 15.999 > 29 33 O 0.02632207413560 0.38325672405640 0.38281029923361 15.999 > 33 34 O 0.52632207413560 0.38325672405640 0.38281029923361 15.999 > 33 35 O 0.02632207413560 0.88325672405640 0.38281029923361 15.999 > 33 36 O 0.52632207413560 0.88325672405640 0.38281029923361 15.999 > 33 37 O 0.02632207413560 0.38325672405640 0.11718970076639 15.999 > 37 38 O 0.52632207413560 0.38325672405640 0.11718970076639 15.999 > 37 39 O 0.02632207413560 0.88325672405640 0.11718970076639 15.999 > 37 40 O 0.52632207413560 0.88325672405640 0.11718970076639 15.999 > 37 41 O 0.47367792586440 0.13325672405640 0.11718970076639 15.999 > 41 42 O 0.97367792586440 0.13325672405640 0.11718970076639 15.999 > 41 43 O 0.47367792586440 0.63325672405640 0.11718970076639 15.999 > 41 44 O 0.97367792586440 0.63325672405640 0.11718970076639 15.999 > 41 45 O 0.47367792586440 0.11674327594360 0.88281029923361 15.999 > 45 46 O 0.97367792586440 0.11674327594360 0.88281029923361 15.999 > 45 47 O 0.47367792586440 0.61674327594360 0.88281029923361 15.999 > 45 48 O 0.97367792586440 0.61674327594360 0.88281029923361 15.999 > 45 49 O 0.47367792586440 0.11674327594360 0.61718970076639 15.999 > 49 50 O 0.97367792586440 0.11674327594360 0.61718970076639 15.999 > 49 51 O 0.47367792586440 0.61674327594360 0.61718970076639 15.999 > 49 52 O 0.97367792586440 0.61674327594360 0.61718970076639 15.999 > 49 53 O 0.47367792586440 0.13325672405640 0.38281029923361 15.999 > 53 54 O 0.97367792586440 0.13325672405640 0.38281029923361 15.999 > 53 55 O 0.47367792586440 0.63325672405640 0.38281029923361 15.999 > 53 56 O 0.97367792586440 0.63325672405640 0.38281029923361 15.999 > 53 57 O 0.02632207413560 0.36674327594360 0.88281029923361 15.999 > 57 58 O 0.52632207413560 0.36674327594360 0.88281029923361 15.999 > 57 59 O 0.02632207413560 0.86674327594360 0.88281029923361 15.999 > 57 60 O 0.52632207413560 0.86674327594360 0.88281029923361 15.999 > 57 61 O 0.02632207413560 0.36674327594360 0.61718970076639 15.999 > 61 62 O 0.52632207413560 0.36674327594360 0.61718970076639 15.999 > 61 63 O 0.02632207413560 0.86674327594360 0.61718970076639 15.999 > 61 64 O 0.52632207413560 0.86674327594360 0.61718970076639 15.999 > 61 65 Si 0.05654919233472 0.12500000000000 0.00000000000000 28.085 > 65 66 Si 0.55654919233472 0.12500000000000 0.00000000000000 28.085 > 65 67 Si 0.05654919233472 0.62500000000000 0.00000000000000 28.085 > 65 68 Si 0.55654919233472 0.62500000000000 0.00000000000000 28.085 > 65 69 Si 0.44345080766528 0.37500000000000 0.00000000000000 28.085 > 69 70 Si 0.94345080766528 0.37500000000000 0.00000000000000 28.085 > 69 71 Si 0.44345080766528 0.87500000000000 0.00000000000000 28.085 > 69 72 Si 0.94345080766528 0.87500000000000 0.00000000000000 28.085 > 69 73 Si 0.44345080766528 0.37500000000000 0.50000000000000 28.085 > 73 74 Si 0.94345080766528 0.37500000000000 0.50000000000000 28.085 > 73 75 Si 0.44345080766528 0.87500000000000 0.50000000000000 28.085 > 73 76 Si 0.94345080766528 0.87500000000000 0.50000000000000 28.085 > 73 77 Si 0.05654919233472 0.12500000000000 0.50000000000000 28.085 > 77 78 Si 0.55654919233472 0.12500000000000 0.50000000000000 28.085 > 77 79 Si 0.05654919233472 0.62500000000000 0.50000000000000 28.085 > 77 80 Si 0.55654919233472 0.62500000000000 0.50000000000000 28.085 > 77 81 Te 0.29943659427588 0.29051397264020 0.75000000000000 127.600 > 81 82 Te 0.79943659427588 0.29051397264020 0.75000000000000 127.600 > 81 83 Te 0.29943659427588 0.79051397264020 0.75000000000000 127.600 > 81 84 Te 0.79943659427588 0.79051397264020 0.75000000000000 127.600 > 81 85 Te 0.29943659427588 0.45948602735980 0.25000000000000 127.600 > 85 86 Te 0.79943659427588 0.45948602735980 0.25000000000000 127.600 > 85 87 Te 0.29943659427588 0.95948602735980 0.25000000000000 127.600 > 85 88 Te 0.79943659427588 0.95948602735980 0.25000000000000 127.600 > 85 89 Te 0.20056340572412 0.04051397264020 0.75000000000000 127.600 > 89 90 Te 0.70056340572412 0.04051397264020 0.75000000000000 127.600 > 89 91 Te 0.20056340572412 0.54051397264020 0.75000000000000 127.600 > 89 92 Te 0.70056340572412 0.54051397264020 0.75000000000000 127.600 > 89 93 Te 0.20056340572412 0.20948602735980 0.25000000000000 127.600 > 93 94 Te 0.70056340572412 0.20948602735980 0.25000000000000 127.600 > 93 95 Te 0.20056340572412 0.70948602735980 0.25000000000000 127.600 > 93 96 Te 0.70056340572412 0.70948602735980 0.25000000000000 127.600 > 93 97 Sm 0.19449765470794 0.37500000000000 0.50000000000000 150.360 > 97 98 Sm 0.69449765470794 0.37500000000000 0.50000000000000 150.360 > 97 99 Sm 0.19449765470794 0.87500000000000 0.50000000000000 150.360 > 97 100 Sm 0.69449765470794 0.87500000000000 0.50000000000000 150.360 > 97 101 Sm 0.19449765470794 0.37500000000000 0.00000000000000 150.360 > 101 102 Sm 0.69449765470794 0.37500000000000 0.00000000000000 150.360 > 101 103 Sm 0.19449765470794 0.87500000000000 0.00000000000000 150.360 > 101 104 Sm 0.69449765470794 0.87500000000000 0.00000000000000 150.360 > 101 105 Sm 0.30550234529206 0.12500000000000 0.50000000000000 150.360 > 105 106 Sm 0.80550234529206 0.12500000000000 0.50000000000000 150.360 > 105 107 Sm 0.30550234529206 0.62500000000000 0.50000000000000 150.360 > 105 108 Sm 0.80550234529206 0.62500000000000 0.50000000000000 150.360 > 105 109 Sm 0.30550234529206 0.12500000000000 0.00000000000000 150.360 > 109 110 Sm 0.80550234529206 0.12500000000000 0.00000000000000 150.360 > 109 111 Sm 0.30550234529206 0.62500000000000 0.00000000000000 150.360 > 109 112 Sm 0.80550234529206 0.62500000000000 0.00000000000000 150.360 > 109 113 Sm 0.44318391643923 0.48200472208310 0.75000000000000 150.360 > 113 114 Sm 0.94318391643923 0.48200472208310 0.75000000000000 150.360 > 113 115 Sm 0.44318391643923 0.98200472208310 0.75000000000000 150.360 > 113 116 Sm 0.94318391643923 0.98200472208310 0.75000000000000 150.360 > 113 117 Sm 0.44318391643923 0.26799527791690 0.25000000000000 150.360 > 117 118 Sm 0.94318391643923 0.26799527791690 0.25000000000000 150.360 > 117 119 Sm 0.44318391643923 0.76799527791690 0.25000000000000 150.360 > 117 120 Sm 0.94318391643923 0.76799527791690 0.25000000000000 150.360 > 117 121 Sm 0.05681608356077 0.23200472208310 0.75000000000000 150.360 > 121 122 Sm 0.55681608356077 0.23200472208310 0.75000000000000 150.360 > 121 123 Sm 0.05681608356077 0.73200472208310 0.75000000000000 150.360 > 121 124 Sm 0.55681608356077 0.73200472208310 0.75000000000000 150.360 > 121 125 Sm 0.05681608356077 0.01799527791690 0.25000000000000 150.360 > 125 126 Sm 0.55681608356077 0.01799527791690 0.25000000000000 150.360 > 125 127 Sm 0.05681608356077 0.51799527791690 0.25000000000000 150.360 > 125 128 Sm 0.55681608356077 0.51799527791690 0.25000000000000 150.360 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.1804586 0.0000000 0.0000000 0.0000000 6.5596014 0.0000000 0.0000000 0.0000000 6.1596377 -------------------------- Born effective charges -------------------------- 1 O -2.1658190 0.2928775 -0.0648838 0.3850466 -2.5201650 -0.0932996 -0.0638557 -0.0986505 -2.5501213 2 O -2.1658190 -0.2928775 0.0648838 -0.3850466 -2.5201650 -0.0932996 0.0638557 -0.0986505 -2.5501213 3 O -2.1658190 -0.2928775 -0.0648838 -0.3850466 -2.5201650 0.0932996 -0.0638557 0.0986505 -2.5501213 4 O -2.1658190 0.2928775 0.0648838 0.3850466 -2.5201650 0.0932996 0.0638557 0.0986505 -2.5501213 5 O -2.1658190 0.2928775 -0.0648838 0.3850466 -2.5201650 -0.0932996 -0.0638557 -0.0986505 -2.5501213 6 O -2.1658190 -0.2928775 0.0648838 -0.3850466 -2.5201650 -0.0932996 0.0638557 -0.0986505 -2.5501213 7 O -2.1658190 -0.2928775 -0.0648838 -0.3850466 -2.5201650 0.0932996 -0.0638557 0.0986505 -2.5501213 8 O -2.1658190 0.2928775 0.0648838 0.3850466 -2.5201650 0.0932996 0.0638557 0.0986505 -2.5501213 9 O -2.8079976 -0.2284775 0.0369492 -0.0601277 -1.9917219 0.2254567 -0.0266937 0.0183473 -2.5418379 10 O -2.8079976 -0.2284775 -0.0369492 -0.0601277 -1.9917219 -0.2254567 0.0266937 -0.0183473 -2.5418379 11 O -2.8079976 0.2284775 0.0369492 0.0601277 -1.9917219 -0.2254567 -0.0266937 -0.0183473 -2.5418379 12 O -2.8079976 -0.2284775 -0.0369492 -0.0601277 -1.9917219 -0.2254567 0.0266937 -0.0183473 -2.5418379 13 O -2.8079976 -0.2284775 0.0369492 -0.0601277 -1.9917219 0.2254567 -0.0266937 0.0183473 -2.5418379 14 O -2.8079976 0.2284775 -0.0369492 0.0601277 -1.9917219 0.2254567 0.0266937 0.0183473 -2.5418379 15 O -2.8079976 0.2284775 0.0369492 0.0601277 -1.9917219 -0.2254567 -0.0266937 -0.0183473 -2.5418379 16 O -2.8079976 0.2284775 -0.0369492 0.0601277 -1.9917219 0.2254567 0.0266937 0.0183473 -2.5418379 17 Si 3.8260071 0.0000000 0.0000000 0.0000000 2.6322561 0.1930905 0.0000000 -0.0754544 3.8771829 18 Si 3.8260071 0.0000000 0.0000000 0.0000000 2.6322561 0.1930905 0.0000000 -0.0754544 3.8771829 19 Si 3.8260071 0.0000000 0.0000000 0.0000000 2.6322561 -0.1930905 0.0000000 0.0754544 3.8771829 20 Si 3.8260071 0.0000000 0.0000000 0.0000000 2.6322561 -0.1930905 0.0000000 0.0754544 3.8771829 21 Te -2.3205809 -0.1151635 0.0000000 -0.0196724 -2.0444834 0.0000000 0.0000000 0.0000000 -1.9659258 22 Te -2.3205809 0.1151635 0.0000000 0.0196724 -2.0444834 0.0000000 0.0000000 0.0000000 -1.9659258 23 Te -2.3205809 0.1151635 0.0000000 0.0196724 -2.0444834 0.0000000 0.0000000 0.0000000 -1.9659258 24 Te -2.3205809 -0.1151635 0.0000000 -0.0196724 -2.0444834 0.0000000 0.0000000 0.0000000 -1.9659258 25 Sm 3.8957220 0.0000000 0.0000000 0.0000000 4.5017685 0.2193788 0.0000000 0.0906931 4.6529302 26 Sm 3.8957220 0.0000000 0.0000000 0.0000000 4.5017685 -0.2193788 0.0000000 -0.0906931 4.6529302 27 Sm 3.8957220 0.0000000 0.0000000 0.0000000 4.5017685 0.2193788 0.0000000 0.0906931 4.6529302 28 Sm 3.8957220 0.0000000 0.0000000 0.0000000 4.5017685 -0.2193788 0.0000000 -0.0906931 4.6529302 29 Sm 4.5464851 0.3808761 0.0000000 0.3072243 3.9342327 0.0000000 0.0000000 0.0000000 3.6197311 30 Sm 4.5464851 -0.3808761 0.0000000 -0.3072243 3.9342327 0.0000000 0.0000000 0.0000000 3.6197311 31 Sm 4.5464851 -0.3808761 0.0000000 -0.3072243 3.9342327 0.0000000 0.0000000 0.0000000 3.6197311 32 Sm 4.5464851 0.3808761 0.0000000 0.3072243 3.9342327 0.0000000 0.0000000 0.0000000 3.6197311 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000004 (xxx) -0.00000004 (xxx) -0.00000004 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (yx) 0.00000001 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:10:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:10:32]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.215246900000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.070628479999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.039441829999999 Atomic positions (fractional): 1 O 0.27155781741125 0.07335849409454 0.46352173168502 15.999 2 O 0.27155781741125 0.42664150590547 0.53647826831498 15.999 3 O 0.72844218258875 0.57335849409453 0.03647826831498 15.999 4 O 0.72844218258875 0.92664150590547 0.96352173168502 15.999 5 O 0.72844218258875 0.92664150590547 0.53647826831498 15.999 6 O 0.72844218258875 0.57335849409453 0.46352173168502 15.999 7 O 0.27155781741125 0.42664150590547 0.96352173168502 15.999 8 O 0.27155781741125 0.07335849409454 0.03647826831498 15.999 9 O 0.05264414827121 0.76651344811279 0.38281029923361 15.999 10 O 0.05264414827121 0.76651344811279 0.11718970076639 15.999 11 O 0.94735585172879 0.26651344811279 0.11718970076639 15.999 12 O 0.94735585172879 0.23348655188721 0.88281029923361 15.999 13 O 0.94735585172879 0.23348655188721 0.61718970076639 15.999 14 O 0.94735585172879 0.26651344811279 0.38281029923361 15.999 15 O 0.05264414827121 0.73348655188721 0.88281029923361 15.999 16 O 0.05264414827121 0.73348655188721 0.61718970076639 15.999 17 Si 0.11309838466944 0.25000000000000 0.00000000000000 28.085 18 Si 0.88690161533056 0.75000000000000 0.00000000000000 28.085 19 Si 0.88690161533056 0.75000000000000 0.50000000000000 28.085 20 Si 0.11309838466944 0.25000000000000 0.50000000000000 28.085 21 Te 0.59887318855175 0.58102794528039 0.75000000000000 127.600 22 Te 0.59887318855175 0.91897205471961 0.25000000000000 127.600 23 Te 0.40112681144825 0.08102794528039 0.75000000000000 127.600 24 Te 0.40112681144825 0.41897205471961 0.25000000000000 127.600 25 Sm 0.38899530941587 0.75000000000000 0.50000000000000 150.360 26 Sm 0.38899530941587 0.75000000000000 0.00000000000000 150.360 27 Sm 0.61100469058413 0.25000000000000 0.50000000000000 150.360 28 Sm 0.61100469058413 0.25000000000000 0.00000000000000 150.360 29 Sm 0.88636783287847 0.96400944416620 0.75000000000000 150.360 30 Sm 0.88636783287847 0.53599055583380 0.25000000000000 150.360 31 Sm 0.11363216712153 0.46400944416620 0.75000000000000 150.360 32 Sm 0.11363216712153 0.03599055583380 0.25000000000000 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.430493800000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.141256959999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.039441829999999 Atomic positions (fractional): 1 O 0.13577890870563 0.03667924704727 0.46352173168502 15.999 > 1 2 O 0.63577890870563 0.03667924704727 0.46352173168502 15.999 > 1 3 O 0.13577890870563 0.53667924704727 0.46352173168502 15.999 > 1 4 O 0.63577890870563 0.53667924704727 0.46352173168502 15.999 > 1 5 O 0.13577890870563 0.21332075295273 0.53647826831498 15.999 > 5 6 O 0.63577890870563 0.21332075295273 0.53647826831498 15.999 > 5 7 O 0.13577890870563 0.71332075295273 0.53647826831498 15.999 > 5 8 O 0.63577890870563 0.71332075295273 0.53647826831498 15.999 > 5 9 O 0.36422109129437 0.28667924704727 0.03647826831498 15.999 > 9 10 O 0.86422109129437 0.28667924704727 0.03647826831498 15.999 > 9 11 O 0.36422109129437 0.78667924704727 0.03647826831498 15.999 > 9 12 O 0.86422109129437 0.78667924704727 0.03647826831498 15.999 > 9 13 O 0.36422109129437 0.46332075295273 0.96352173168502 15.999 > 13 14 O 0.86422109129437 0.46332075295273 0.96352173168502 15.999 > 13 15 O 0.36422109129437 0.96332075295273 0.96352173168502 15.999 > 13 16 O 0.86422109129437 0.96332075295273 0.96352173168502 15.999 > 13 17 O 0.36422109129437 0.46332075295273 0.53647826831498 15.999 > 17 18 O 0.86422109129437 0.46332075295273 0.53647826831498 15.999 > 17 19 O 0.36422109129437 0.96332075295273 0.53647826831498 15.999 > 17 20 O 0.86422109129437 0.96332075295273 0.53647826831498 15.999 > 17 21 O 0.36422109129437 0.28667924704727 0.46352173168502 15.999 > 21 22 O 0.86422109129437 0.28667924704727 0.46352173168502 15.999 > 21 23 O 0.36422109129437 0.78667924704727 0.46352173168502 15.999 > 21 24 O 0.86422109129437 0.78667924704727 0.46352173168502 15.999 > 21 25 O 0.13577890870563 0.21332075295273 0.96352173168502 15.999 > 25 26 O 0.63577890870563 0.21332075295273 0.96352173168502 15.999 > 25 27 O 0.13577890870563 0.71332075295273 0.96352173168502 15.999 > 25 28 O 0.63577890870563 0.71332075295273 0.96352173168502 15.999 > 25 29 O 0.13577890870563 0.03667924704727 0.03647826831498 15.999 > 29 30 O 0.63577890870563 0.03667924704727 0.03647826831498 15.999 > 29 31 O 0.13577890870563 0.53667924704727 0.03647826831498 15.999 > 29 32 O 0.63577890870563 0.53667924704727 0.03647826831498 15.999 > 29 33 O 0.02632207413560 0.38325672405640 0.38281029923361 15.999 > 33 34 O 0.52632207413560 0.38325672405640 0.38281029923361 15.999 > 33 35 O 0.02632207413560 0.88325672405640 0.38281029923361 15.999 > 33 36 O 0.52632207413560 0.88325672405640 0.38281029923361 15.999 > 33 37 O 0.02632207413560 0.38325672405640 0.11718970076639 15.999 > 37 38 O 0.52632207413560 0.38325672405640 0.11718970076639 15.999 > 37 39 O 0.02632207413560 0.88325672405640 0.11718970076639 15.999 > 37 40 O 0.52632207413560 0.88325672405640 0.11718970076639 15.999 > 37 41 O 0.47367792586440 0.13325672405640 0.11718970076639 15.999 > 41 42 O 0.97367792586440 0.13325672405640 0.11718970076639 15.999 > 41 43 O 0.47367792586440 0.63325672405640 0.11718970076639 15.999 > 41 44 O 0.97367792586440 0.63325672405640 0.11718970076639 15.999 > 41 45 O 0.47367792586440 0.11674327594360 0.88281029923361 15.999 > 45 46 O 0.97367792586440 0.11674327594360 0.88281029923361 15.999 > 45 47 O 0.47367792586440 0.61674327594360 0.88281029923361 15.999 > 45 48 O 0.97367792586440 0.61674327594360 0.88281029923361 15.999 > 45 49 O 0.47367792586440 0.11674327594360 0.61718970076639 15.999 > 49 50 O 0.97367792586440 0.11674327594360 0.61718970076639 15.999 > 49 51 O 0.47367792586440 0.61674327594360 0.61718970076639 15.999 > 49 52 O 0.97367792586440 0.61674327594360 0.61718970076639 15.999 > 49 53 O 0.47367792586440 0.13325672405640 0.38281029923361 15.999 > 53 54 O 0.97367792586440 0.13325672405640 0.38281029923361 15.999 > 53 55 O 0.47367792586440 0.63325672405640 0.38281029923361 15.999 > 53 56 O 0.97367792586440 0.63325672405640 0.38281029923361 15.999 > 53 57 O 0.02632207413560 0.36674327594360 0.88281029923361 15.999 > 57 58 O 0.52632207413560 0.36674327594360 0.88281029923361 15.999 > 57 59 O 0.02632207413560 0.86674327594360 0.88281029923361 15.999 > 57 60 O 0.52632207413560 0.86674327594360 0.88281029923361 15.999 > 57 61 O 0.02632207413560 0.36674327594360 0.61718970076639 15.999 > 61 62 O 0.52632207413560 0.36674327594360 0.61718970076639 15.999 > 61 63 O 0.02632207413560 0.86674327594360 0.61718970076639 15.999 > 61 64 O 0.52632207413560 0.86674327594360 0.61718970076639 15.999 > 61 65 Si 0.05654919233472 0.12500000000000 0.00000000000000 28.085 > 65 66 Si 0.55654919233472 0.12500000000000 0.00000000000000 28.085 > 65 67 Si 0.05654919233472 0.62500000000000 0.00000000000000 28.085 > 65 68 Si 0.55654919233472 0.62500000000000 0.00000000000000 28.085 > 65 69 Si 0.44345080766528 0.37500000000000 0.00000000000000 28.085 > 69 70 Si 0.94345080766528 0.37500000000000 0.00000000000000 28.085 > 69 71 Si 0.44345080766528 0.87500000000000 0.00000000000000 28.085 > 69 72 Si 0.94345080766528 0.87500000000000 0.00000000000000 28.085 > 69 73 Si 0.44345080766528 0.37500000000000 0.50000000000000 28.085 > 73 74 Si 0.94345080766528 0.37500000000000 0.50000000000000 28.085 > 73 75 Si 0.44345080766528 0.87500000000000 0.50000000000000 28.085 > 73 76 Si 0.94345080766528 0.87500000000000 0.50000000000000 28.085 > 73 77 Si 0.05654919233472 0.12500000000000 0.50000000000000 28.085 > 77 78 Si 0.55654919233472 0.12500000000000 0.50000000000000 28.085 > 77 79 Si 0.05654919233472 0.62500000000000 0.50000000000000 28.085 > 77 80 Si 0.55654919233472 0.62500000000000 0.50000000000000 28.085 > 77 81 Te 0.29943659427588 0.29051397264020 0.75000000000000 127.600 > 81 82 Te 0.79943659427588 0.29051397264020 0.75000000000000 127.600 > 81 83 Te 0.29943659427588 0.79051397264020 0.75000000000000 127.600 > 81 84 Te 0.79943659427588 0.79051397264020 0.75000000000000 127.600 > 81 85 Te 0.29943659427588 0.45948602735980 0.25000000000000 127.600 > 85 86 Te 0.79943659427588 0.45948602735980 0.25000000000000 127.600 > 85 87 Te 0.29943659427588 0.95948602735980 0.25000000000000 127.600 > 85 88 Te 0.79943659427588 0.95948602735980 0.25000000000000 127.600 > 85 89 Te 0.20056340572412 0.04051397264020 0.75000000000000 127.600 > 89 90 Te 0.70056340572412 0.04051397264020 0.75000000000000 127.600 > 89 91 Te 0.20056340572412 0.54051397264020 0.75000000000000 127.600 > 89 92 Te 0.70056340572412 0.54051397264020 0.75000000000000 127.600 > 89 93 Te 0.20056340572412 0.20948602735980 0.25000000000000 127.600 > 93 94 Te 0.70056340572412 0.20948602735980 0.25000000000000 127.600 > 93 95 Te 0.20056340572412 0.70948602735980 0.25000000000000 127.600 > 93 96 Te 0.70056340572412 0.70948602735980 0.25000000000000 127.600 > 93 97 Sm 0.19449765470794 0.37500000000000 0.50000000000000 150.360 > 97 98 Sm 0.69449765470794 0.37500000000000 0.50000000000000 150.360 > 97 99 Sm 0.19449765470794 0.87500000000000 0.50000000000000 150.360 > 97 100 Sm 0.69449765470794 0.87500000000000 0.50000000000000 150.360 > 97 101 Sm 0.19449765470794 0.37500000000000 0.00000000000000 150.360 > 101 102 Sm 0.69449765470794 0.37500000000000 0.00000000000000 150.360 > 101 103 Sm 0.19449765470794 0.87500000000000 0.00000000000000 150.360 > 101 104 Sm 0.69449765470794 0.87500000000000 0.00000000000000 150.360 > 101 105 Sm 0.30550234529206 0.12500000000000 0.50000000000000 150.360 > 105 106 Sm 0.80550234529206 0.12500000000000 0.50000000000000 150.360 > 105 107 Sm 0.30550234529206 0.62500000000000 0.50000000000000 150.360 > 105 108 Sm 0.80550234529206 0.62500000000000 0.50000000000000 150.360 > 105 109 Sm 0.30550234529206 0.12500000000000 0.00000000000000 150.360 > 109 110 Sm 0.80550234529206 0.12500000000000 0.00000000000000 150.360 > 109 111 Sm 0.30550234529206 0.62500000000000 0.00000000000000 150.360 > 109 112 Sm 0.80550234529206 0.62500000000000 0.00000000000000 150.360 > 109 113 Sm 0.44318391643923 0.48200472208310 0.75000000000000 150.360 > 113 114 Sm 0.94318391643923 0.48200472208310 0.75000000000000 150.360 > 113 115 Sm 0.44318391643923 0.98200472208310 0.75000000000000 150.360 > 113 116 Sm 0.94318391643923 0.98200472208310 0.75000000000000 150.360 > 113 117 Sm 0.44318391643923 0.26799527791690 0.25000000000000 150.360 > 117 118 Sm 0.94318391643923 0.26799527791690 0.25000000000000 150.360 > 117 119 Sm 0.44318391643923 0.76799527791690 0.25000000000000 150.360 > 117 120 Sm 0.94318391643923 0.76799527791690 0.25000000000000 150.360 > 117 121 Sm 0.05681608356077 0.23200472208310 0.75000000000000 150.360 > 121 122 Sm 0.55681608356077 0.23200472208310 0.75000000000000 150.360 > 121 123 Sm 0.05681608356077 0.73200472208310 0.75000000000000 150.360 > 121 124 Sm 0.55681608356077 0.73200472208310 0.75000000000000 150.360 > 121 125 Sm 0.05681608356077 0.01799527791690 0.25000000000000 150.360 > 125 126 Sm 0.55681608356077 0.01799527791690 0.25000000000000 150.360 > 125 127 Sm 0.05681608356077 0.51799527791690 0.25000000000000 150.360 > 125 128 Sm 0.55681608356077 0.51799527791690 0.25000000000000 150.360 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.1804586 0.0000000 0.0000000 0.0000000 6.5596014 0.0000000 0.0000000 0.0000000 6.1596377 -------------------------- Born effective charges -------------------------- 1 O -2.1658190 0.2928775 -0.0648838 0.3850466 -2.5201650 -0.0932996 -0.0638557 -0.0986505 -2.5501213 2 O -2.1658190 -0.2928775 0.0648838 -0.3850466 -2.5201650 -0.0932996 0.0638557 -0.0986505 -2.5501213 3 O -2.1658190 -0.2928775 -0.0648838 -0.3850466 -2.5201650 0.0932996 -0.0638557 0.0986505 -2.5501213 4 O -2.1658190 0.2928775 0.0648838 0.3850466 -2.5201650 0.0932996 0.0638557 0.0986505 -2.5501213 5 O -2.1658190 0.2928775 -0.0648838 0.3850466 -2.5201650 -0.0932996 -0.0638557 -0.0986505 -2.5501213 6 O -2.1658190 -0.2928775 0.0648838 -0.3850466 -2.5201650 -0.0932996 0.0638557 -0.0986505 -2.5501213 7 O -2.1658190 -0.2928775 -0.0648838 -0.3850466 -2.5201650 0.0932996 -0.0638557 0.0986505 -2.5501213 8 O -2.1658190 0.2928775 0.0648838 0.3850466 -2.5201650 0.0932996 0.0638557 0.0986505 -2.5501213 9 O -2.8079976 -0.2284775 0.0369492 -0.0601277 -1.9917219 0.2254567 -0.0266937 0.0183473 -2.5418379 10 O -2.8079976 -0.2284775 -0.0369492 -0.0601277 -1.9917219 -0.2254567 0.0266937 -0.0183473 -2.5418379 11 O -2.8079976 0.2284775 0.0369492 0.0601277 -1.9917219 -0.2254567 -0.0266937 -0.0183473 -2.5418379 12 O -2.8079976 -0.2284775 -0.0369492 -0.0601277 -1.9917219 -0.2254567 0.0266937 -0.0183473 -2.5418379 13 O -2.8079976 -0.2284775 0.0369492 -0.0601277 -1.9917219 0.2254567 -0.0266937 0.0183473 -2.5418379 14 O -2.8079976 0.2284775 -0.0369492 0.0601277 -1.9917219 0.2254567 0.0266937 0.0183473 -2.5418379 15 O -2.8079976 0.2284775 0.0369492 0.0601277 -1.9917219 -0.2254567 -0.0266937 -0.0183473 -2.5418379 16 O -2.8079976 0.2284775 -0.0369492 0.0601277 -1.9917219 0.2254567 0.0266937 0.0183473 -2.5418379 17 Si 3.8260071 0.0000000 0.0000000 0.0000000 2.6322561 0.1930905 0.0000000 -0.0754544 3.8771829 18 Si 3.8260071 0.0000000 0.0000000 0.0000000 2.6322561 0.1930905 0.0000000 -0.0754544 3.8771829 19 Si 3.8260071 0.0000000 0.0000000 0.0000000 2.6322561 -0.1930905 0.0000000 0.0754544 3.8771829 20 Si 3.8260071 0.0000000 0.0000000 0.0000000 2.6322561 -0.1930905 0.0000000 0.0754544 3.8771829 21 Te -2.3205809 -0.1151635 0.0000000 -0.0196724 -2.0444834 0.0000000 0.0000000 0.0000000 -1.9659258 22 Te -2.3205809 0.1151635 0.0000000 0.0196724 -2.0444834 0.0000000 0.0000000 0.0000000 -1.9659258 23 Te -2.3205809 0.1151635 0.0000000 0.0196724 -2.0444834 0.0000000 0.0000000 0.0000000 -1.9659258 24 Te -2.3205809 -0.1151635 0.0000000 -0.0196724 -2.0444834 0.0000000 0.0000000 0.0000000 -1.9659258 25 Sm 3.8957220 0.0000000 0.0000000 0.0000000 4.5017685 0.2193788 0.0000000 0.0906931 4.6529302 26 Sm 3.8957220 0.0000000 0.0000000 0.0000000 4.5017685 -0.2193788 0.0000000 -0.0906931 4.6529302 27 Sm 3.8957220 0.0000000 0.0000000 0.0000000 4.5017685 0.2193788 0.0000000 0.0906931 4.6529302 28 Sm 3.8957220 0.0000000 0.0000000 0.0000000 4.5017685 -0.2193788 0.0000000 -0.0906931 4.6529302 29 Sm 4.5464851 0.3808761 0.0000000 0.3072243 3.9342327 0.0000000 0.0000000 0.0000000 3.6197311 30 Sm 4.5464851 -0.3808761 0.0000000 -0.3072243 3.9342327 0.0000000 0.0000000 0.0000000 3.6197311 31 Sm 4.5464851 -0.3808761 0.0000000 -0.3072243 3.9342327 0.0000000 0.0000000 0.0000000 3.6197311 32 Sm 4.5464851 0.3808761 0.0000000 0.3072243 3.9342327 0.0000000 0.0000000 0.0000000 3.6197311 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000004 (xxx) -0.00000004 (xxx) -0.00000004 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 7 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: 0.53, Number of G-points: 291, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.218 ( 0.000 0.000 0.000) 0.000 1.579 ( 0.000 0.000 0.000) 0.000 1.681 ( 0.000 0.000 0.000) 0.000 1.805 ( 0.000 0.000 0.000) 0.000 1.966 ( 0.000 0.000 0.000) 0.000 2.333 ( 0.000 0.000 0.000) 0.000 2.510 ( 0.000 0.000 0.000) 0.000 2.878 ( 0.000 0.000 0.000) 0.000 2.963 ( 0.000 0.000 0.000) 0.000 2.996 ( 0.000 0.000 0.000) 0.000 3.041 ( 0.000 0.000 0.000) 0.000 3.079 ( 0.000 0.000 0.000) 0.000 3.128 ( 0.000 0.000 0.000) 0.000 3.179 ( 0.000 0.000 0.000) 0.000 3.200 ( 0.000 0.000 0.000) 0.000 3.232 ( 0.000 0.000 0.000) 0.000 3.335 ( 0.000 0.000 0.000) 0.000 3.350 ( 0.000 0.000 0.000) 0.000 3.407 ( 0.000 0.000 0.000) 0.000 3.459 ( 0.000 0.000 0.000) 0.000 3.535 ( 0.000 0.000 0.000) 0.000 3.639 ( 0.000 0.000 0.000) 0.000 3.730 ( 0.000 0.000 0.000) 0.000 3.743 ( 0.000 0.000 0.000) 0.000 4.030 ( 0.000 0.000 0.000) 0.000 4.187 ( 0.000 0.000 0.000) 0.000 4.233 ( 0.000 0.000 0.000) 0.000 4.245 ( 0.000 0.000 0.000) 0.000 4.253 ( 0.000 0.000 0.000) 0.000 4.295 ( 0.000 0.000 0.000) 0.000 4.705 ( 0.000 0.000 0.000) 0.000 4.833 ( 0.000 0.000 0.000) 0.000 5.137 ( 0.000 0.000 0.000) 0.000 6.177 ( 0.000 0.000 0.000) 0.000 6.455 ( 0.000 0.000 0.000) 0.000 6.459 ( 0.000 0.000 0.000) 0.000 6.667 ( 0.000 0.000 0.000) 0.000 6.790 ( 0.000 0.000 0.000) 0.000 7.043 ( 0.000 0.000 0.000) 0.000 7.073 ( 0.000 0.000 0.000) 0.000 7.194 ( 0.000 0.000 0.000) 0.000 7.258 ( 0.000 0.000 0.000) 0.000 7.450 ( 0.000 0.000 0.000) 0.000 7.538 ( 0.000 0.000 0.000) 0.000 7.886 ( 0.000 0.000 0.000) 0.000 7.911 ( 0.000 0.000 0.000) 0.000 7.930 ( 0.000 0.000 0.000) 0.000 7.971 ( 0.000 0.000 0.000) 0.000 8.092 ( 0.000 0.000 0.000) 0.000 8.296 ( 0.000 0.000 0.000) 0.000 8.748 ( 0.000 0.000 0.000) 0.000 8.904 ( 0.000 0.000 0.000) 0.000 8.944 ( 0.000 0.000 0.000) 0.000 9.336 ( 0.000 0.000 0.000) 0.000 9.888 ( 0.000 0.000 0.000) 0.000 10.268 ( 0.000 0.000 0.000) 0.000 10.299 ( 0.000 0.000 0.000) 0.000 10.441 ( 0.000 0.000 0.000) 0.000 10.471 ( 0.000 0.000 0.000) 0.000 10.678 ( 0.000 0.000 0.000) 0.000 10.874 ( 0.000 0.000 0.000) 0.000 11.558 ( 0.000 0.000 0.000) 0.000 12.426 ( 0.000 0.000 0.000) 0.000 12.488 ( 0.000 0.000 0.000) 0.000 12.602 ( 0.000 0.000 0.000) 0.000 12.688 ( 0.000 0.000 0.000) 0.000 13.195 ( 0.000 0.000 0.000) 0.000 14.154 ( 0.000 0.000 0.000) 0.000 14.780 ( 0.000 0.000 0.000) 0.000 14.821 ( 0.000 0.000 0.000) 0.000 14.873 ( 0.000 0.000 0.000) 0.000 15.224 ( 0.000 0.000 0.000) 0.000 15.527 ( 0.000 0.000 0.000) 0.000 15.826 ( 0.000 0.000 0.000) 0.000 15.840 ( 0.000 0.000 0.000) 0.000 15.857 ( 0.000 0.000 0.000) 0.000 16.549 ( 0.000 0.000 0.000) 0.000 23.710 ( 0.000 0.000 0.000) 0.000 23.742 ( 0.000 0.000 0.000) 0.000 23.960 ( 0.000 0.000 0.000) 0.000 24.052 ( 0.000 0.000 0.000) 0.000 24.091 ( 0.000 0.000 0.000) 0.000 24.143 ( 0.000 0.000 0.000) 0.000 24.628 ( 0.000 0.000 0.000) 0.000 24.675 ( 0.000 0.000 0.000) 0.000 26.646 ( 0.000 0.000 0.000) 0.000 26.800 ( 0.000 0.000 0.000) 0.000 26.884 ( 0.000 0.000 0.000) 0.000 26.927 ( 0.000 0.000 0.000) 0.000 26.948 ( 0.000 0.000 0.000) 0.000 27.020 ( 0.000 0.000 0.000) 0.000 27.023 ( 0.000 0.000 0.000) 0.000 27.824 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( 26.411 0.000 0.000) 26.411 0.559 ( 27.527 0.000 0.000) 27.527 1.133 ( 53.874 0.000 0.000) 53.874 1.215 ( -0.227 0.000 0.000) 0.227 1.570 ( -7.839 0.000 0.000) 7.839 1.621 ( 3.862 0.000 0.000) 3.862 1.836 ( 3.141 0.000 0.000) 3.141 2.050 ( 5.273 0.000 0.000) 5.273 2.359 ( 2.732 0.000 0.000) 2.732 2.645 ( 11.366 0.000 0.000) 11.366 2.839 ( -3.317 0.000 0.000) 3.317 2.972 ( -4.273 0.000 0.000) 4.273 2.972 ( 0.495 0.000 0.000) 0.495 3.039 ( -6.157 0.000 0.000) 6.157 3.072 ( -0.678 0.000 0.000) 0.678 3.097 ( -5.862 0.000 0.000) 5.862 3.109 ( 3.968 0.000 0.000) 3.968 3.289 ( 9.989 0.000 0.000) 9.989 3.350 ( -1.621 0.000 0.000) 1.621 3.375 ( 7.595 0.000 0.000) 7.595 3.379 ( 2.440 0.000 0.000) 2.440 3.460 ( 6.067 0.000 0.000) 6.067 3.548 ( 8.564 0.000 0.000) 8.564 3.568 ( 2.687 0.000 0.000) 2.687 3.682 ( 5.161 0.000 0.000) 5.161 3.785 ( 3.920 0.000 0.000) 3.920 3.909 ( 15.638 0.000 0.000) 15.638 3.990 ( -3.793 0.000 0.000) 3.793 4.189 ( 0.701 0.000 0.000) 0.701 4.231 ( -0.307 0.000 0.000) 0.307 4.236 ( -0.428 0.000 0.000) 0.428 4.309 ( 4.972 0.000 0.000) 4.972 4.724 ( 1.798 0.000 0.000) 1.798 4.730 ( -0.498 0.000 0.000) 0.498 4.846 ( 2.973 0.000 0.000) 2.973 5.157 ( 2.162 0.000 0.000) 2.162 6.136 ( -3.260 0.000 0.000) 3.260 6.437 ( -1.586 0.000 0.000) 1.586 6.452 ( -0.890 0.000 0.000) 0.890 6.664 ( -0.439 0.000 0.000) 0.439 6.789 ( -0.146 0.000 0.000) 0.146 7.056 ( -1.703 0.000 0.000) 1.703 7.076 ( 3.191 0.000 0.000) 3.191 7.202 ( 0.581 0.000 0.000) 0.581 7.257 ( -0.033 0.000 0.000) 0.033 7.542 ( 7.875 0.000 0.000) 7.875 7.720 ( 2.099 0.000 0.000) 2.099 7.855 ( -6.739 0.000 0.000) 6.739 7.866 ( -2.041 0.000 0.000) 2.041 7.887 ( -4.815 0.000 0.000) 4.815 8.203 ( 7.466 0.000 0.000) 7.466 8.287 ( -0.919 0.000 0.000) 0.919 8.810 ( 5.623 0.000 0.000) 5.623 8.881 ( -2.183 0.000 0.000) 2.183 8.903 ( -3.986 0.000 0.000) 3.986 9.351 ( 1.413 0.000 0.000) 1.413 9.631 ( -11.584 0.000 0.000) 11.584 9.871 ( -0.840 0.000 0.000) 0.840 10.269 ( -2.814 0.000 0.000) 2.814 10.284 ( 1.159 0.000 0.000) 1.159 10.381 ( -5.804 0.000 0.000) 5.804 10.481 ( 0.994 0.000 0.000) 0.994 10.708 ( 2.209 0.000 0.000) 2.209 10.790 ( -7.935 0.000 0.000) 7.935 11.579 ( 2.079 0.000 0.000) 2.079 12.257 ( -10.910 0.000 0.000) 10.910 12.458 ( -2.895 0.000 0.000) 2.895 12.532 ( -6.284 0.000 0.000) 6.284 12.859 ( 11.129 0.000 0.000) 11.129 13.146 ( -4.714 0.000 0.000) 4.714 14.065 ( -7.828 0.000 0.000) 7.828 14.837 ( -8.988 0.000 0.000) 8.988 14.864 ( 4.138 0.000 0.000) 4.138 14.871 ( -0.227 0.000 0.000) 0.227 15.462 ( -6.237 0.000 0.000) 6.237 15.816 ( -0.947 0.000 0.000) 0.947 15.906 ( 2.160 0.000 0.000) 2.160 15.972 ( 10.068 0.000 0.000) 10.068 15.997 ( 11.201 0.000 0.000) 11.201 16.548 ( -0.185 0.000 0.000) 0.185 23.711 ( 0.094 0.000 0.000) 0.094 23.741 ( 0.015 0.000 0.000) 0.015 23.961 ( -0.003 0.000 0.000) 0.003 24.062 ( -1.433 0.000 0.000) 1.433 24.144 ( 0.118 0.000 0.000) 0.118 24.153 ( 1.871 0.000 0.000) 1.871 24.552 ( -4.371 0.000 0.000) 4.371 24.728 ( 2.112 0.000 0.000) 2.112 26.562 ( -5.796 0.000 0.000) 5.796 26.799 ( -0.143 0.000 0.000) 0.143 26.907 ( -3.713 0.000 0.000) 3.713 26.929 ( 0.218 0.000 0.000) 0.218 26.997 ( 8.547 0.000 0.000) 8.547 27.005 ( -1.733 0.000 0.000) 1.733 27.724 ( -9.086 0.000 0.000) 9.086 28.362 ( 3.176 0.000 0.000) 3.176 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 23.049 0.000 0.000) 23.049 1.101 ( 26.186 0.000 0.000) 26.186 1.217 ( 1.486 0.000 0.000) 1.486 1.434 ( -5.039 0.000 0.000) 5.039 1.716 ( 5.071 0.000 0.000) 5.071 1.900 ( 7.352 0.000 0.000) 7.352 2.124 ( 2.141 0.000 0.000) 2.141 2.151 ( 41.907 0.000 0.000) 41.907 2.437 ( 4.285 0.000 0.000) 4.285 2.756 ( -4.658 0.000 0.000) 4.658 2.766 ( -14.204 0.000 0.000) 14.204 2.850 ( 7.100 0.000 0.000) 7.100 2.879 ( -8.465 0.000 0.000) 8.465 2.976 ( -0.151 0.000 0.000) 0.151 3.055 ( -0.884 0.000 0.000) 0.884 3.058 ( 0.164 0.000 0.000) 0.164 3.256 ( -7.024 0.000 0.000) 7.024 3.266 ( 9.996 0.000 0.000) 9.996 3.421 ( 1.889 0.000 0.000) 1.889 3.455 ( 2.003 0.000 0.000) 2.003 3.529 ( 11.309 0.000 0.000) 11.309 3.621 ( 2.251 0.000 0.000) 2.251 3.686 ( 13.346 0.000 0.000) 13.346 3.760 ( 8.761 0.000 0.000) 8.761 3.836 ( 8.188 0.000 0.000) 8.188 3.897 ( -4.385 0.000 0.000) 4.385 3.911 ( 12.143 0.000 0.000) 12.143 4.118 ( 0.748 0.000 0.000) 0.748 4.208 ( 0.718 0.000 0.000) 0.718 4.219 ( -0.889 0.000 0.000) 0.889 4.325 ( 8.644 0.000 0.000) 8.644 4.445 ( 8.377 0.000 0.000) 8.377 4.761 ( 6.331 0.000 0.000) 6.331 4.767 ( 2.157 0.000 0.000) 2.157 5.021 ( 14.644 0.000 0.000) 14.644 5.236 ( 5.815 0.000 0.000) 5.815 6.079 ( -1.877 0.000 0.000) 1.877 6.400 ( -1.837 0.000 0.000) 1.837 6.423 ( -1.835 0.000 0.000) 1.835 6.644 ( -1.524 0.000 0.000) 1.524 6.779 ( -0.908 0.000 0.000) 0.908 7.010 ( -2.556 0.000 0.000) 2.556 7.159 ( 4.672 0.000 0.000) 4.672 7.205 ( -0.458 0.000 0.000) 0.458 7.263 ( 1.075 0.000 0.000) 1.075 7.696 ( -8.183 0.000 0.000) 8.183 7.704 ( 6.855 0.000 0.000) 6.855 7.777 ( 3.316 0.000 0.000) 3.316 7.799 ( -4.640 0.000 0.000) 4.640 7.815 ( -2.396 0.000 0.000) 2.396 8.261 ( -1.431 0.000 0.000) 1.431 8.345 ( 6.155 0.000 0.000) 6.155 8.794 ( -6.378 0.000 0.000) 6.378 8.819 ( -3.800 0.000 0.000) 3.800 8.948 ( 7.512 0.000 0.000) 7.512 9.317 ( -18.804 0.000 0.000) 18.804 9.389 ( 2.249 0.000 0.000) 2.249 9.882 ( 2.152 0.000 0.000) 2.152 10.179 ( -7.650 0.000 0.000) 7.650 10.239 ( -5.860 0.000 0.000) 5.860 10.304 ( 0.727 0.000 0.000) 0.727 10.510 ( 1.860 0.000 0.000) 1.860 10.588 ( -11.094 0.000 0.000) 11.094 10.731 ( -0.452 0.000 0.000) 0.452 11.635 ( 3.274 0.000 0.000) 3.274 12.071 ( -6.995 0.000 0.000) 6.995 12.378 ( -4.704 0.000 0.000) 4.704 12.387 ( -7.185 0.000 0.000) 7.185 13.018 ( -7.407 0.000 0.000) 7.407 13.055 ( 7.920 0.000 0.000) 7.920 13.894 ( -8.074 0.000 0.000) 8.074 14.668 ( -6.848 0.000 0.000) 6.848 14.865 ( -0.328 0.000 0.000) 0.328 14.968 ( 5.562 0.000 0.000) 5.562 15.298 ( -9.317 0.000 0.000) 9.317 15.791 ( -1.356 0.000 0.000) 1.356 15.948 ( 2.019 0.000 0.000) 2.019 16.196 ( 10.833 0.000 0.000) 10.833 16.241 ( 11.391 0.000 0.000) 11.391 16.540 ( -0.582 0.000 0.000) 0.582 23.713 ( 0.130 0.000 0.000) 0.130 23.744 ( 0.241 0.000 0.000) 0.241 23.958 ( -0.256 0.000 0.000) 0.256 24.048 ( 0.016 0.000 0.000) 0.016 24.147 ( 0.176 0.000 0.000) 0.176 24.179 ( 0.668 0.000 0.000) 0.668 24.483 ( -2.060 0.000 0.000) 2.060 24.731 ( -1.992 0.000 0.000) 1.992 26.456 ( -4.455 0.000 0.000) 4.455 26.795 ( -0.241 0.000 0.000) 0.241 26.817 ( -4.780 0.000 0.000) 4.780 26.935 ( 0.348 0.000 0.000) 0.348 26.957 ( -2.866 0.000 0.000) 2.866 27.168 ( 7.784 0.000 0.000) 7.784 27.511 ( -10.710 0.000 0.000) 10.710 28.438 ( 4.021 0.000 0.000) 4.021 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 0.013 0.000 0.000) 0.013 1.366 ( -1.747 0.000 0.000) 1.747 1.534 ( 20.176 0.000 0.000) 20.176 1.602 ( 22.837 0.000 0.000) 22.837 1.815 ( 5.156 0.000 0.000) 5.156 2.024 ( 5.590 0.000 0.000) 5.590 2.146 ( 0.003 0.000 0.000) 0.003 2.439 ( -6.769 0.000 0.000) 6.769 2.445 ( -17.274 0.000 0.000) 17.274 2.693 ( -4.770 0.000 0.000) 4.770 2.716 ( 3.109 0.000 0.000) 3.109 2.899 ( 25.691 0.000 0.000) 25.691 2.932 ( 1.826 0.000 0.000) 1.826 2.957 ( -2.435 0.000 0.000) 2.435 3.039 ( -0.608 0.000 0.000) 0.608 3.066 ( 0.441 0.000 0.000) 0.441 3.112 ( -6.011 0.000 0.000) 6.011 3.454 ( 1.298 0.000 0.000) 1.298 3.462 ( 7.765 0.000 0.000) 7.765 3.484 ( 0.989 0.000 0.000) 0.989 3.654 ( 1.069 0.000 0.000) 1.069 3.687 ( 4.861 0.000 0.000) 4.861 3.801 ( -3.483 0.000 0.000) 3.483 3.822 ( 0.312 0.000 0.000) 0.312 3.874 ( 3.283 0.000 0.000) 3.283 4.000 ( 6.428 0.000 0.000) 6.428 4.137 ( 3.984 0.000 0.000) 3.984 4.198 ( -0.994 0.000 0.000) 0.994 4.205 ( -1.097 0.000 0.000) 1.097 4.286 ( 18.747 0.000 0.000) 18.747 4.342 ( -5.122 0.000 0.000) 5.122 4.623 ( 8.298 0.000 0.000) 8.298 4.799 ( 0.659 0.000 0.000) 0.659 5.001 ( 13.730 0.000 0.000) 13.730 5.355 ( 15.437 0.000 0.000) 15.437 5.362 ( 4.802 0.000 0.000) 4.802 6.066 ( 0.303 0.000 0.000) 0.303 6.370 ( -1.056 0.000 0.000) 1.056 6.386 ( -1.551 0.000 0.000) 1.551 6.609 ( -1.735 0.000 0.000) 1.735 6.754 ( -1.380 0.000 0.000) 1.380 6.966 ( -1.575 0.000 0.000) 1.575 7.189 ( -0.842 0.000 0.000) 0.842 7.254 ( 4.718 0.000 0.000) 4.718 7.327 ( 5.621 0.000 0.000) 5.621 7.553 ( -5.481 0.000 0.000) 5.481 7.653 ( -8.186 0.000 0.000) 8.186 7.785 ( -0.757 0.000 0.000) 0.757 7.819 ( 3.282 0.000 0.000) 3.282 7.831 ( 1.296 0.000 0.000) 1.296 8.236 ( -0.944 0.000 0.000) 0.944 8.440 ( 3.204 0.000 0.000) 3.204 8.675 ( -4.719 0.000 0.000) 4.719 8.739 ( -3.814 0.000 0.000) 3.814 8.932 ( -17.131 0.000 0.000) 17.131 9.089 ( 5.825 0.000 0.000) 5.825 9.432 ( 1.732 0.000 0.000) 1.732 9.945 ( 3.335 0.000 0.000) 3.335 9.991 ( -8.607 0.000 0.000) 8.607 10.169 ( -2.082 0.000 0.000) 2.082 10.312 ( 0.110 0.000 0.000) 0.110 10.388 ( -7.656 0.000 0.000) 7.656 10.549 ( 1.700 0.000 0.000) 1.700 10.693 ( -2.692 0.000 0.000) 2.692 11.700 ( 2.821 0.000 0.000) 2.821 11.977 ( -2.689 0.000 0.000) 2.689 12.271 ( -4.004 0.000 0.000) 4.004 12.285 ( -4.060 0.000 0.000) 4.060 12.880 ( -5.557 0.000 0.000) 5.557 13.171 ( 3.666 0.000 0.000) 3.666 13.766 ( -4.351 0.000 0.000) 4.351 14.571 ( -2.908 0.000 0.000) 2.908 14.859 ( -0.236 0.000 0.000) 0.236 15.064 ( 3.597 0.000 0.000) 3.597 15.124 ( -7.013 0.000 0.000) 7.013 15.767 ( -0.972 0.000 0.000) 0.972 15.982 ( 1.278 0.000 0.000) 1.278 16.373 ( 6.273 0.000 0.000) 6.273 16.423 ( 6.354 0.000 0.000) 6.354 16.527 ( -0.597 0.000 0.000) 0.597 23.715 ( 0.090 0.000 0.000) 0.090 23.751 ( 0.378 0.000 0.000) 0.378 23.951 ( -0.419 0.000 0.000) 0.419 24.060 ( 0.995 0.000 0.000) 0.995 24.150 ( 0.130 0.000 0.000) 0.130 24.180 ( -0.466 0.000 0.000) 0.466 24.478 ( 1.615 0.000 0.000) 1.615 24.654 ( -5.189 0.000 0.000) 5.189 26.388 ( -2.323 0.000 0.000) 2.323 26.734 ( -3.133 0.000 0.000) 3.133 26.790 ( -0.192 0.000 0.000) 0.192 26.901 ( -2.366 0.000 0.000) 2.366 26.942 ( 0.268 0.000 0.000) 0.268 27.293 ( 4.331 0.000 0.000) 4.331 27.337 ( -5.966 0.000 0.000) 5.966 28.508 ( 2.596 0.000 0.000) 2.596 ======================= Grid point 4 (5/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 0.000 0.000 0.000) 0.000 1.350 ( 0.000 0.000 0.000) 0.000 1.754 ( 0.000 0.000 0.000) 0.000 1.929 ( 0.000 0.000 0.000) 0.000 1.972 ( 0.000 0.000 0.000) 0.000 2.091 ( 0.000 0.000 0.000) 0.000 2.108 ( 0.000 0.000 0.000) 0.000 2.151 ( 0.000 0.000 0.000) 0.000 2.300 ( 0.000 0.000 0.000) 0.000 2.618 ( 0.000 0.000 0.000) 0.000 2.813 ( -0.000 0.000 0.000) 0.000 2.877 ( 0.000 0.000 0.000) 0.000 2.947 ( 0.000 0.000 0.000) 0.000 3.033 ( 0.000 0.000 0.000) 0.000 3.054 ( 0.000 0.000 0.000) 0.000 3.071 ( 0.000 0.000 0.000) 0.000 3.211 ( -0.000 0.000 0.000) 0.000 3.468 ( 0.000 0.000 0.000) 0.000 3.500 ( 0.000 0.000 0.000) 0.000 3.518 ( 0.000 0.000 0.000) 0.000 3.665 ( 0.000 0.000 0.000) 0.000 3.736 ( 0.000 0.000 0.000) 0.000 3.764 ( 0.000 0.000 0.000) 0.000 3.820 ( 0.000 0.000 0.000) 0.000 3.895 ( 0.000 0.000 0.000) 0.000 4.078 ( -0.000 0.000 0.000) 0.000 4.181 ( 0.000 0.000 0.000) 0.000 4.187 ( 0.000 0.000 0.000) 0.000 4.229 ( 0.000 0.000 0.000) 0.000 4.232 ( -0.000 0.000 0.000) 0.000 4.497 ( 0.000 0.000 0.000) 0.000 4.727 ( 0.000 0.000 0.000) 0.000 4.793 ( 0.000 0.000 0.000) 0.000 5.179 ( 0.000 0.000 0.000) 0.000 5.389 ( -0.000 0.000 0.000) 0.000 5.529 ( 0.000 0.000 0.000) 0.000 6.073 ( 0.000 0.000 0.000) 0.000 6.360 ( 0.000 0.000 0.000) 0.000 6.369 ( 0.000 0.000 0.000) 0.000 6.588 ( 0.000 0.000 0.000) 0.000 6.737 ( 0.000 0.000 0.000) 0.000 6.951 ( 0.000 0.000 0.000) 0.000 7.179 ( 0.000 0.000 0.000) 0.000 7.325 ( 0.000 0.000 0.000) 0.000 7.422 ( 0.000 0.000 0.000) 0.000 7.495 ( 0.000 0.000 0.000) 0.000 7.533 ( 0.000 0.000 0.000) 0.000 7.778 ( 0.000 0.000 0.000) 0.000 7.828 ( 0.000 0.000 0.000) 0.000 7.852 ( 0.000 0.000 0.000) 0.000 8.226 ( 0.000 0.000 0.000) 0.000 8.472 ( 0.000 0.000 0.000) 0.000 8.626 ( 0.000 0.000 0.000) 0.000 8.684 ( 0.000 0.000 0.000) 0.000 8.748 ( -0.000 0.000 0.000) 0.000 9.153 ( 0.000 0.000 0.000) 0.000 9.450 ( 0.000 0.000 0.000) 0.000 9.895 ( 0.000 0.000 0.000) 0.000 9.985 ( 0.000 0.000 0.000) 0.000 10.148 ( 0.000 0.000 0.000) 0.000 10.298 ( 0.000 0.000 0.000) 0.000 10.322 ( 0.000 0.000 0.000) 0.000 10.568 ( 0.000 0.000 0.000) 0.000 10.658 ( 0.000 0.000 0.000) 0.000 11.732 ( 0.000 0.000 0.000) 0.000 11.952 ( 0.000 0.000 0.000) 0.000 12.231 ( 0.000 0.000 0.000) 0.000 12.239 ( 0.000 0.000 0.000) 0.000 12.820 ( 0.000 0.000 0.000) 0.000 13.207 ( 0.000 0.000 0.000) 0.000 13.722 ( 0.000 0.000 0.000) 0.000 14.544 ( 0.000 0.000 0.000) 0.000 14.857 ( 0.000 0.000 0.000) 0.000 15.048 ( 0.000 0.000 0.000) 0.000 15.102 ( 0.000 0.000 0.000) 0.000 15.756 ( 0.000 0.000 0.000) 0.000 15.995 ( 0.000 0.000 0.000) 0.000 16.437 ( 0.000 0.000 0.000) 0.000 16.488 ( 0.000 0.000 0.000) 0.000 16.521 ( 0.000 0.000 0.000) 0.000 23.716 ( 0.000 0.000 0.000) 0.000 23.755 ( 0.000 0.000 0.000) 0.000 23.946 ( 0.000 0.000 0.000) 0.000 24.074 ( -0.000 0.000 0.000) 0.000 24.152 ( 0.000 0.000 0.000) 0.000 24.172 ( 0.000 0.000 0.000) 0.000 24.539 ( -0.000 0.000 0.000) 0.000 24.554 ( 0.000 0.000 0.000) 0.000 26.364 ( 0.000 0.000 0.000) 0.000 26.701 ( 0.000 0.000 0.000) 0.000 26.788 ( 0.000 0.000 0.000) 0.000 26.875 ( 0.000 0.000 0.000) 0.000 26.945 ( 0.000 0.000 0.000) 0.000 27.278 ( 0.000 0.000 0.000) 0.000 27.337 ( 0.000 0.000 0.000) 0.000 28.535 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/60) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( 0.000 26.998 0.000) 26.998 0.591 ( 0.000 29.051 0.000) 29.051 1.051 ( 0.000 48.690 0.000) 48.690 1.440 ( 0.000 19.587 0.000) 19.587 1.597 ( 0.000 1.606 0.000) 1.606 1.881 ( 0.000 7.025 0.000) 7.025 2.009 ( 0.000 3.976 0.000) 3.976 2.188 ( 0.000 5.857 0.000) 5.857 2.339 ( 0.000 0.895 0.000) 0.895 2.537 ( 0.000 2.315 0.000) 2.315 2.813 ( 0.000 -6.212 0.000) 6.212 2.926 ( 0.000 -3.466 0.000) 3.466 2.957 ( 0.000 -2.873 0.000) 2.873 3.037 ( 0.000 -0.439 0.000) 0.439 3.069 ( 0.000 -8.448 0.000) 8.448 3.072 ( 0.000 -5.316 0.000) 5.316 3.087 ( 0.000 -0.041 0.000) 0.041 3.169 ( 0.000 -5.318 0.000) 5.318 3.218 ( 0.000 1.103 0.000) 1.103 3.337 ( 0.000 -3.351 0.000) 3.351 3.352 ( 0.000 1.402 0.000) 1.402 3.391 ( 0.000 -1.652 0.000) 1.652 3.414 ( 0.000 -3.960 0.000) 3.960 3.606 ( 0.000 4.905 0.000) 4.905 3.701 ( 0.000 -3.807 0.000) 3.807 3.710 ( 0.000 1.402 0.000) 1.402 3.778 ( 0.000 5.361 0.000) 5.361 3.980 ( 0.000 -4.542 0.000) 4.542 4.164 ( 0.000 -1.630 0.000) 1.630 4.273 ( 0.000 2.686 0.000) 2.686 4.278 ( 0.000 4.245 0.000) 4.245 4.295 ( 0.000 2.062 0.000) 2.062 4.332 ( 0.000 2.362 0.000) 2.362 4.680 ( 0.000 -2.620 0.000) 2.620 4.793 ( 0.000 -3.453 0.000) 3.453 5.053 ( 0.000 -7.869 0.000) 7.869 6.263 ( 0.000 7.450 0.000) 7.450 6.485 ( 0.000 2.432 0.000) 2.432 6.710 ( 0.000 3.998 0.000) 3.998 6.821 ( 0.000 2.904 0.000) 2.904 7.029 ( 0.000 -1.272 0.000) 1.272 7.099 ( 0.000 2.443 0.000) 2.443 7.215 ( 0.000 1.867 0.000) 1.867 7.263 ( 0.000 0.548 0.000) 0.548 7.373 ( 0.000 -6.214 0.000) 6.214 7.422 ( 0.000 -3.063 0.000) 3.063 7.498 ( 0.000 -3.162 0.000) 3.162 7.886 ( 0.000 0.453 0.000) 0.453 7.922 ( 0.000 1.176 0.000) 1.176 8.094 ( 0.000 -0.022 0.000) 0.022 8.100 ( 0.000 10.913 0.000) 10.913 8.377 ( 0.000 7.505 0.000) 7.505 8.467 ( 0.000 -9.080 0.000) 9.080 8.590 ( 0.000 -16.566 0.000) 16.566 8.898 ( 0.000 -4.037 0.000) 4.037 9.019 ( 0.000 3.591 0.000) 3.591 9.332 ( 0.000 -0.478 0.000) 0.478 9.903 ( 0.000 1.369 0.000) 1.369 10.190 ( 0.000 -10.633 0.000) 10.633 10.306 ( 0.000 2.651 0.000) 2.651 10.416 ( 0.000 -2.293 0.000) 2.293 10.434 ( 0.000 -3.283 0.000) 3.283 10.620 ( 0.000 -5.920 0.000) 5.920 10.830 ( 0.000 -4.096 0.000) 4.096 11.599 ( 0.000 4.896 0.000) 4.896 12.457 ( 0.000 -2.990 0.000) 2.990 12.699 ( 0.000 1.037 0.000) 1.037 12.747 ( 0.000 12.934 0.000) 12.934 12.937 ( 0.000 -8.224 0.000) 8.224 13.474 ( 0.000 16.104 0.000) 16.104 14.093 ( 0.000 -5.959 0.000) 5.959 14.756 ( 0.000 -2.689 0.000) 2.689 14.820 ( 0.000 -0.122 0.000) 0.122 14.852 ( 0.000 -1.957 0.000) 1.957 15.220 ( 0.000 -0.064 0.000) 0.064 15.586 ( 0.000 -2.278 0.000) 2.278 15.828 ( 0.000 0.180 0.000) 0.180 15.844 ( 0.000 -1.006 0.000) 1.006 15.887 ( 0.000 4.702 0.000) 4.702 16.531 ( 0.000 -1.861 0.000) 1.861 23.747 ( 0.000 0.584 0.000) 0.584 23.760 ( 0.000 4.551 0.000) 4.551 23.948 ( 0.000 -1.249 0.000) 1.249 24.043 ( 0.000 -0.701 0.000) 0.701 24.085 ( 0.000 -0.625 0.000) 0.625 24.136 ( 0.000 -0.720 0.000) 0.720 24.696 ( 0.000 2.135 0.000) 2.135 25.313 ( 0.000 -3.675 0.000) 3.675 26.615 ( 0.000 -2.328 0.000) 2.328 26.751 ( 0.000 -6.971 0.000) 6.971 26.860 ( 0.000 -6.376 0.000) 6.376 26.870 ( 0.000 6.020 0.000) 6.020 26.923 ( 0.000 -2.343 0.000) 2.343 27.058 ( 0.000 6.752 0.000) 6.752 27.231 ( 0.000 10.878 0.000) 10.878 28.060 ( 0.000 -5.651 0.000) 5.651 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 17.392 18.856 0.000) 25.652 0.845 ( 17.932 21.577 0.000) 28.056 1.430 ( -0.795 19.040 0.000) 19.056 1.491 ( 35.399 29.066 0.000) 45.803 1.636 ( 3.668 1.383 0.000) 3.920 1.788 ( -11.023 11.593 0.000) 15.996 1.941 ( 0.880 10.148 0.000) 10.187 2.099 ( 1.423 3.749 0.000) 4.010 2.427 ( 4.882 6.352 0.000) 8.012 2.659 ( 9.611 1.015 0.000) 9.665 2.800 ( -1.956 -3.720 0.000) 4.203 2.904 ( -1.631 -5.823 0.000) 6.047 2.949 ( -1.472 -1.605 0.000) 2.177 2.979 ( -5.049 -5.494 0.000) 7.462 3.082 ( 4.158 -2.054 0.000) 4.637 3.083 ( -1.501 -1.619 0.000) 2.208 3.096 ( -2.218 0.990 0.000) 2.429 3.203 ( 7.005 -4.827 0.000) 8.506 3.302 ( 6.512 -5.973 0.000) 8.836 3.325 ( 0.693 -2.569 0.000) 2.661 3.396 ( 2.844 1.041 0.000) 3.028 3.481 ( 7.729 0.579 0.000) 7.750 3.517 ( 8.349 -2.756 0.000) 8.792 3.603 ( 0.913 0.126 0.000) 0.922 3.742 ( 0.274 4.548 0.000) 4.556 3.762 ( 6.161 -0.454 0.000) 6.178 3.843 ( 9.943 -3.107 0.000) 10.417 4.016 ( 2.517 0.284 0.000) 2.533 4.191 ( 1.316 -0.689 0.000) 1.486 4.256 ( 0.561 2.395 0.000) 2.460 4.265 ( -1.463 3.193 0.000) 3.512 4.312 ( 4.782 0.887 0.000) 4.863 4.531 ( 7.917 -7.249 0.000) 10.734 4.722 ( 3.119 -2.701 0.000) 4.126 4.821 ( 4.052 -2.216 0.000) 4.618 5.079 ( 2.860 -7.267 0.000) 7.810 6.205 ( -4.552 6.099 0.000) 7.610 6.474 ( -1.148 2.080 0.000) 2.376 6.721 ( 0.444 5.341 0.000) 5.359 6.784 ( -15.416 13.161 0.000) 20.270 6.834 ( -6.093 7.626 0.000) 9.761 7.063 ( 3.116 -1.183 0.000) 3.333 7.097 ( -1.942 4.333 0.000) 4.748 7.216 ( 0.493 0.917 0.000) 1.041 7.270 ( 0.404 1.209 0.000) 1.275 7.426 ( 3.850 -8.030 0.000) 8.906 7.672 ( 2.464 -5.223 0.000) 5.775 7.822 ( -7.009 -1.679 0.000) 7.208 7.871 ( -1.519 0.844 0.000) 1.738 8.033 ( -1.188 10.181 0.000) 10.250 8.209 ( 5.827 1.070 0.000) 5.925 8.320 ( -0.533 3.089 0.000) 3.135 8.624 ( 2.884 -13.667 0.000) 13.968 8.862 ( -3.344 -3.323 0.000) 4.715 8.873 ( 8.901 -14.559 0.000) 17.064 9.100 ( 4.208 -13.162 0.000) 13.818 9.351 ( 1.848 -0.144 0.000) 1.854 9.936 ( 2.001 1.204 0.000) 2.335 10.183 ( -0.802 -9.255 0.000) 9.290 10.318 ( 0.788 3.010 0.000) 3.111 10.357 ( -5.664 -2.193 0.000) 6.074 10.418 ( -1.452 -4.987 0.000) 5.194 10.639 ( 1.523 -7.920 0.000) 8.065 10.751 ( -7.471 -3.604 0.000) 8.295 11.613 ( 1.373 4.324 0.000) 4.536 12.426 ( -23.498 8.441 0.000) 24.968 12.429 ( -2.778 -2.865 0.000) 3.991 12.684 ( -5.628 13.384 0.000) 14.519 12.818 ( 4.688 -1.518 0.000) 4.928 13.420 ( -4.375 17.837 0.000) 18.366 14.006 ( -7.551 -5.706 0.000) 9.464 14.767 ( -6.536 -6.275 0.000) 9.061 14.858 ( 0.730 -1.025 0.000) 1.259 14.864 ( 3.728 -0.268 0.000) 3.738 15.446 ( 3.685 -2.099 0.000) 4.241 15.666 ( 11.340 -10.084 0.000) 15.175 15.819 ( -0.656 0.260 0.000) 0.706 15.951 ( 9.229 -1.837 0.000) 9.410 15.998 ( 10.129 1.640 0.000) 10.261 16.532 ( -0.042 -1.837 0.000) 1.837 23.745 ( -0.162 0.900 0.000) 0.914 23.761 ( 0.074 4.060 0.000) 4.060 23.948 ( -0.033 -1.281 0.000) 1.281 24.036 ( -0.227 -1.084 0.000) 1.107 24.126 ( 2.518 -1.569 0.000) 2.967 24.136 ( 0.079 -0.760 0.000) 0.764 24.664 ( -4.115 3.505 0.000) 5.406 24.930 ( -15.122 12.569 0.000) 19.663 26.547 ( -5.054 -1.291 0.000) 5.216 26.746 ( -0.579 -5.836 0.000) 5.865 26.860 ( -3.020 -4.268 0.000) 5.228 26.918 ( 3.131 3.928 0.000) 5.024 26.983 ( -0.518 -3.686 0.000) 3.722 27.113 ( 5.212 6.546 0.000) 8.367 27.529 ( 9.303 -9.078 0.000) 12.998 28.109 ( 6.963 -11.302 0.000) 13.275 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 19.135 10.269 0.000) 21.716 1.239 ( 20.706 12.583 0.000) 24.230 1.423 ( 0.971 18.199 0.000) 18.225 1.554 ( -6.846 9.923 0.000) 12.055 1.729 ( 5.123 1.307 0.000) 5.287 2.009 ( 4.899 8.531 0.000) 9.838 2.124 ( 2.941 0.589 0.000) 2.999 2.287 ( 28.344 10.872 0.000) 30.357 2.555 ( 10.672 11.652 0.000) 15.801 2.716 ( -5.587 -3.165 0.000) 6.421 2.728 ( -7.868 -2.119 0.000) 8.148 2.840 ( -4.917 -4.721 0.000) 6.817 2.910 ( 1.767 3.849 0.000) 4.235 2.927 ( 0.683 -2.708 0.000) 2.793 3.033 ( -0.727 -0.926 0.000) 1.178 3.097 ( 0.687 2.330 0.000) 2.429 3.166 ( 0.252 -3.879 0.000) 3.888 3.327 ( 4.345 0.166 0.000) 4.348 3.382 ( 4.718 -3.896 0.000) 6.119 3.422 ( 3.761 -4.564 0.000) 5.914 3.479 ( 5.387 -3.480 0.000) 6.413 3.604 ( 3.956 -1.130 0.000) 4.115 3.668 ( 8.189 0.628 0.000) 8.213 3.724 ( 8.024 -2.920 0.000) 8.538 3.795 ( 4.609 -4.003 0.000) 6.104 3.934 ( 1.902 4.000 0.000) 4.429 3.979 ( 15.506 3.651 0.000) 15.930 4.119 ( 2.498 -0.518 0.000) 2.551 4.202 ( 0.813 0.290 0.000) 0.864 4.222 ( -2.247 1.556 0.000) 2.733 4.327 ( 5.810 0.709 0.000) 5.853 4.490 ( 10.308 2.551 0.000) 10.619 4.640 ( 5.458 -6.662 0.000) 8.612 4.786 ( 4.702 -1.391 0.000) 4.903 5.006 ( 14.383 -1.620 0.000) 14.474 5.179 ( 7.204 -5.337 0.000) 8.966 6.124 ( -2.905 4.243 0.000) 5.142 6.440 ( -2.171 1.429 0.000) 2.599 6.531 ( -7.831 9.840 0.000) 12.575 6.714 ( -1.115 6.611 0.000) 6.704 6.809 ( -1.128 2.355 0.000) 2.611 7.054 ( -2.385 4.444 0.000) 5.044 7.128 ( 2.473 -2.032 0.000) 3.201 7.239 ( 1.944 1.742 0.000) 2.611 7.284 ( 1.311 2.000 0.000) 2.391 7.481 ( 1.273 -11.752 0.000) 11.821 7.649 ( -7.080 -5.208 0.000) 8.790 7.725 ( 0.942 -3.617 0.000) 3.738 7.817 ( -4.099 1.858 0.000) 4.500 8.048 ( 2.109 13.338 0.000) 13.504 8.311 ( -0.618 4.008 0.000) 4.056 8.312 ( 3.941 -3.459 0.000) 5.244 8.664 ( 0.612 -12.555 0.000) 12.570 8.779 ( -4.287 -0.575 0.000) 4.326 8.949 ( -2.748 -16.097 0.000) 16.330 9.057 ( -2.884 -2.076 0.000) 3.553 9.398 ( 2.570 0.398 0.000) 2.601 9.961 ( 1.222 3.003 0.000) 3.242 10.141 ( -4.762 -4.567 0.000) 6.598 10.214 ( -6.504 -2.472 0.000) 6.958 10.326 ( -0.137 2.418 0.000) 2.422 10.392 ( -0.760 -9.900 0.000) 9.929 10.556 ( -10.654 -2.862 0.000) 11.032 10.657 ( -0.570 -9.281 0.000) 9.299 11.650 ( 2.157 2.895 0.000) 3.610 12.084 ( -11.382 4.148 0.000) 12.114 12.353 ( -4.506 -2.511 0.000) 5.158 12.557 ( -6.181 14.468 0.000) 15.733 12.927 ( 4.882 -3.739 0.000) 6.149 13.309 ( -6.213 15.986 0.000) 17.151 13.842 ( -7.663 -5.004 0.000) 9.153 14.616 ( -6.653 -5.064 0.000) 8.361 14.861 ( -0.098 -0.326 0.000) 0.340 14.963 ( 5.201 -0.529 0.000) 5.228 15.360 ( -7.582 5.761 0.000) 9.522 15.803 ( -0.752 1.194 0.000) 1.411 15.871 ( 7.099 -5.984 0.000) 9.284 16.160 ( 10.260 -3.328 0.000) 10.787 16.227 ( 11.117 -0.873 0.000) 11.152 16.526 ( -0.521 -1.674 0.000) 1.753 23.744 ( 0.102 1.093 0.000) 1.098 23.762 ( -0.002 3.445 0.000) 3.445 23.945 ( -0.279 -1.335 0.000) 1.364 24.039 ( 0.590 -0.531 0.000) 0.794 24.138 ( 0.113 -0.866 0.000) 0.873 24.161 ( 0.883 -1.640 0.000) 1.863 24.558 ( -4.356 5.516 0.000) 7.028 24.776 ( -4.511 3.962 0.000) 6.004 26.451 ( -4.179 -0.479 0.000) 4.206 26.731 ( -0.738 -5.826 0.000) 5.872 26.783 ( -4.204 -3.048 0.000) 5.193 26.936 ( -3.278 -2.606 0.000) 4.188 26.968 ( 1.820 4.333 0.000) 4.700 27.239 ( 6.483 5.153 0.000) 8.282 27.496 ( -6.775 -0.320 0.000) 6.782 28.275 ( 7.353 -12.827 0.000) 14.785 ======================= Grid point 12 (9/60) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 0.890 13.561 0.000) 13.590 1.464 ( -2.350 8.534 0.000) 8.851 1.619 ( 15.932 8.327 0.000) 17.977 1.657 ( 20.096 5.660 0.000) 20.878 1.835 ( 6.084 2.254 0.000) 6.488 2.116 ( 4.878 7.530 0.000) 8.972 2.151 ( 0.857 0.720 0.000) 1.119 2.389 ( -9.616 -2.390 0.000) 9.909 2.466 ( -15.570 2.125 0.000) 15.714 2.647 ( -2.509 -3.152 0.000) 4.029 2.780 ( 1.369 0.794 0.000) 1.583 2.924 ( 5.144 -1.849 0.000) 5.466 2.958 ( 1.619 2.447 0.000) 2.934 3.026 ( 17.529 13.070 0.000) 21.865 3.027 ( -0.127 -0.970 0.000) 0.978 3.088 ( -5.262 -2.107 0.000) 5.668 3.113 ( 0.712 3.962 0.000) 4.026 3.428 ( 1.428 -3.101 0.000) 3.414 3.435 ( 1.535 -3.843 0.000) 4.138 3.511 ( -0.511 -9.515 0.000) 9.529 3.523 ( 8.004 1.044 0.000) 8.072 3.698 ( 3.297 0.295 0.000) 3.310 3.731 ( 0.262 -2.075 0.000) 2.092 3.859 ( 4.351 1.029 0.000) 4.471 3.870 ( 1.657 -2.513 0.000) 3.010 4.022 ( 4.447 3.601 0.000) 5.722 4.142 ( 1.748 -0.348 0.000) 1.782 4.160 ( -0.789 -3.741 0.000) 3.823 4.217 ( 0.986 1.689 0.000) 1.956 4.358 ( -3.945 1.394 0.000) 4.184 4.367 ( 16.938 7.607 0.000) 18.568 4.631 ( 6.366 -0.138 0.000) 6.368 4.744 ( 2.527 -5.032 0.000) 5.631 4.996 ( 13.882 0.251 0.000) 13.885 5.331 ( 15.140 -2.666 0.000) 15.373 5.334 ( 6.040 -2.596 0.000) 6.574 6.093 ( -0.408 2.794 0.000) 2.823 6.395 ( -2.041 0.526 0.000) 2.107 6.423 ( -3.407 4.429 0.000) 5.588 6.684 ( -1.490 7.351 0.000) 7.501 6.783 ( -1.175 2.108 0.000) 2.414 7.010 ( -1.653 4.598 0.000) 4.886 7.148 ( 0.008 -2.684 0.000) 2.684 7.297 ( 3.474 2.048 0.000) 4.033 7.341 ( 4.569 1.420 0.000) 4.785 7.477 ( -1.654 -13.458 0.000) 13.559 7.517 ( -4.679 -3.412 0.000) 5.791 7.712 ( -5.609 3.603 0.000) 6.667 7.757 ( 1.390 -6.442 0.000) 6.590 8.092 ( 1.805 13.524 0.000) 13.644 8.278 ( -3.255 1.663 0.000) 3.655 8.358 ( 0.832 -7.426 0.000) 7.473 8.651 ( -1.757 -8.123 0.000) 8.311 8.713 ( -2.005 3.472 0.000) 4.009 8.734 ( -11.551 -13.477 0.000) 17.750 9.116 ( 4.262 2.336 0.000) 4.860 9.443 ( 1.646 0.396 0.000) 1.693 9.985 ( -7.704 -0.263 0.000) 7.708 10.006 ( 3.078 3.285 0.000) 4.502 10.147 ( -1.700 -2.544 0.000) 3.060 10.311 ( -1.542 0.343 0.000) 1.580 10.365 ( -7.104 -1.949 0.000) 7.367 10.390 ( 0.379 -14.279 0.000) 14.284 10.619 ( -2.661 -9.214 0.000) 9.591 11.693 ( 1.919 1.405 0.000) 2.378 11.931 ( -4.419 0.379 0.000) 4.435 12.264 ( -3.825 -2.050 0.000) 4.340 12.459 ( -3.285 15.468 0.000) 15.813 13.003 ( 2.880 2.197 0.000) 3.622 13.189 ( -5.330 7.927 0.000) 9.552 13.721 ( -4.098 -4.372 0.000) 5.992 14.522 ( -2.771 -4.855 0.000) 5.590 14.857 ( -0.212 -0.088 0.000) 0.230 15.051 ( 3.152 -1.352 0.000) 3.430 15.212 ( -6.090 8.322 0.000) 10.312 15.791 ( -0.402 2.402 0.000) 2.435 15.967 ( 2.938 -1.229 0.000) 3.184 16.329 ( 6.049 -4.118 0.000) 7.318 16.407 ( 6.353 -1.419 0.000) 6.509 16.514 ( -0.580 -1.565 0.000) 1.669 23.749 ( 0.378 1.471 0.000) 1.519 23.761 ( -0.109 2.633 0.000) 2.635 23.937 ( -0.412 -1.343 0.000) 1.405 24.057 ( 1.034 -0.223 0.000) 1.058 24.141 ( 0.082 -0.981 0.000) 0.985 24.166 ( -0.273 -1.343 0.000) 1.370 24.519 ( 0.475 3.567 0.000) 3.599 24.679 ( -5.319 2.162 0.000) 5.741 26.386 ( -2.210 -0.123 0.000) 2.213 26.708 ( -2.823 -2.248 0.000) 3.609 26.719 ( -0.442 -6.121 0.000) 6.137 26.873 ( -2.606 -2.879 0.000) 3.884 26.995 ( 0.896 5.262 0.000) 5.338 27.347 ( 3.873 4.169 0.000) 5.690 27.371 ( -4.689 3.483 0.000) 5.841 28.384 ( 3.513 -11.039 0.000) 11.585 ======================= Grid point 13 (10/60) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -0.000 14.433 0.000) 14.433 1.442 ( 0.000 8.103 0.000) 8.103 1.782 ( 0.000 2.419 0.000) 2.419 1.962 ( -0.000 3.722 0.000) 3.722 2.006 ( -0.000 3.685 0.000) 3.685 2.121 ( 0.000 1.706 0.000) 1.706 2.187 ( -0.000 8.412 0.000) 8.412 2.204 ( 0.000 5.122 0.000) 5.122 2.208 ( 0.000 -6.360 0.000) 6.360 2.599 ( 0.000 -3.926 0.000) 3.926 2.836 ( -0.000 1.942 0.000) 1.942 2.936 ( 0.000 5.436 0.000) 5.436 2.973 ( 0.000 2.574 0.000) 2.574 3.023 ( 0.000 -2.820 0.000) 2.820 3.026 ( 0.000 -0.821 0.000) 0.821 3.121 ( 0.000 4.578 0.000) 4.578 3.250 ( -0.000 3.545 0.000) 3.545 3.431 ( 0.000 -4.811 0.000) 4.811 3.446 ( -0.000 -2.194 0.000) 2.194 3.500 ( 0.000 -11.776 0.000) 11.776 3.628 ( 0.000 9.654 0.000) 9.654 3.729 ( 0.000 -11.694 0.000) 11.694 3.730 ( 0.000 -0.839 0.000) 0.839 3.883 ( 0.000 7.457 0.000) 7.457 3.899 ( 0.000 3.726 0.000) 3.726 4.104 ( 0.000 0.627 0.000) 0.627 4.120 ( 0.000 -3.673 0.000) 3.673 4.149 ( 0.000 -3.563 0.000) 3.563 4.262 ( -0.000 1.492 0.000) 1.492 4.267 ( 0.000 3.333 0.000) 3.333 4.563 ( 0.000 6.342 0.000) 6.342 4.718 ( 0.000 -1.550 0.000) 1.550 4.757 ( 0.000 -3.456 0.000) 3.456 5.181 ( 0.000 1.112 0.000) 1.112 5.374 ( 0.000 -1.417 0.000) 1.417 5.503 ( -0.000 -3.008 0.000) 3.008 6.092 ( 0.000 2.222 0.000) 2.222 6.371 ( 0.000 -0.139 0.000) 0.139 6.388 ( 0.000 2.491 0.000) 2.491 6.667 ( 0.000 7.611 0.000) 7.611 6.770 ( 0.000 2.435 0.000) 2.435 6.993 ( 0.000 4.428 0.000) 4.428 7.147 ( 0.000 -2.606 0.000) 2.606 7.354 ( -0.000 2.124 0.000) 2.124 7.401 ( 0.000 -1.804 0.000) 1.804 7.434 ( 0.000 -13.286 0.000) 13.286 7.490 ( 0.000 -0.723 0.000) 0.723 7.645 ( 0.000 3.463 0.000) 3.463 7.767 ( 0.000 -5.708 0.000) 5.708 8.111 ( 0.000 13.373 0.000) 13.373 8.213 ( 0.000 -4.858 0.000) 4.858 8.363 ( 0.000 -8.703 0.000) 8.703 8.593 ( 0.000 -2.856 0.000) 2.856 8.646 ( 0.000 -9.224 0.000) 9.224 8.695 ( 0.000 5.028 0.000) 5.028 9.164 ( 0.000 1.170 0.000) 1.170 9.460 ( 0.000 0.117 0.000) 0.117 9.900 ( 0.000 0.874 0.000) 0.874 10.049 ( 0.000 3.958 0.000) 3.958 10.130 ( 0.000 -2.038 0.000) 2.038 10.272 ( 0.000 -1.803 0.000) 1.803 10.306 ( 0.000 -1.372 0.000) 1.372 10.396 ( 0.000 -15.691 0.000) 15.691 10.585 ( 0.000 -8.888 0.000) 8.888 11.715 ( 0.000 0.762 0.000) 0.762 11.889 ( 0.000 -0.849 0.000) 0.849 12.221 ( 0.000 -1.817 0.000) 1.817 12.426 ( 0.000 15.851 0.000) 15.851 13.043 ( 0.000 17.732 0.000) 17.732 13.120 ( -0.000 -8.275 0.000) 8.275 13.680 ( 0.000 -4.135 0.000) 4.135 14.496 ( -0.000 -4.770 0.000) 4.770 14.855 ( 0.000 -0.065 0.000) 0.065 15.083 ( -0.000 -1.814 0.000) 1.814 15.146 ( 0.000 9.295 0.000) 9.295 15.787 ( 0.000 2.991 0.000) 2.991 15.996 ( 0.000 0.087 0.000) 0.087 16.391 ( 0.000 -4.338 0.000) 4.338 16.472 ( -0.000 -1.475 0.000) 1.475 16.507 ( 0.000 -1.535 0.000) 1.535 23.755 ( 0.000 3.645 0.000) 3.645 23.757 ( -0.000 0.266 0.000) 0.266 23.932 ( 0.000 -1.324 0.000) 1.324 24.070 ( -0.000 -0.276 0.000) 0.276 24.141 ( 0.000 -1.032 0.000) 1.032 24.160 ( 0.000 -1.120 0.000) 1.120 24.557 ( 0.000 1.707 0.000) 1.707 24.590 ( -0.000 3.136 0.000) 3.136 26.363 ( 0.000 -0.012 0.000) 0.012 26.679 ( 0.000 -1.968 0.000) 1.968 26.714 ( 0.000 -6.234 0.000) 6.234 26.845 ( 0.000 -2.943 0.000) 2.943 27.004 ( -0.000 5.612 0.000) 5.612 27.323 ( 0.000 4.451 0.000) 4.451 27.387 ( 0.000 3.869 0.000) 3.869 28.419 ( 0.000 -10.587 0.000) 10.587 ======================= Grid point 18 (11/60) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 0.000 21.854 0.000) 21.854 1.168 ( 0.000 27.807 0.000) 27.807 1.630 ( 0.000 1.124 0.000) 1.124 1.877 ( 0.000 30.574 0.000) 30.574 1.901 ( 0.000 23.994 0.000) 23.994 2.051 ( 0.000 8.304 0.000) 8.304 2.105 ( 0.000 4.953 0.000) 4.953 2.330 ( 0.000 5.272 0.000) 5.272 2.383 ( 0.000 3.565 0.000) 3.565 2.583 ( 0.000 1.732 0.000) 1.732 2.662 ( 0.000 -6.877 0.000) 6.877 2.830 ( 0.000 -5.741 0.000) 5.741 2.887 ( 0.000 -8.829 0.000) 8.829 2.892 ( 0.000 -4.283 0.000) 4.283 2.933 ( 0.000 -7.713 0.000) 7.713 2.979 ( 0.000 -5.982 0.000) 5.982 3.078 ( 0.000 0.085 0.000) 0.085 3.132 ( 0.000 4.963 0.000) 4.963 3.245 ( 0.000 1.539 0.000) 1.539 3.265 ( 0.000 -2.145 0.000) 2.145 3.321 ( 0.000 -4.708 0.000) 4.708 3.342 ( 0.000 -3.040 0.000) 3.040 3.372 ( 0.000 -0.042 0.000) 0.042 3.621 ( 0.000 -2.997 0.000) 2.997 3.677 ( 0.000 1.440 0.000) 1.440 3.734 ( 0.000 1.144 0.000) 1.144 3.876 ( 0.000 -5.019 0.000) 5.019 3.925 ( 0.000 8.505 0.000) 8.505 4.103 ( 0.000 -5.394 0.000) 5.394 4.344 ( 0.000 3.587 0.000) 3.587 4.354 ( 0.000 -0.927 0.000) 0.927 4.355 ( 0.000 4.425 0.000) 4.425 4.393 ( 0.000 6.670 0.000) 6.670 4.592 ( 0.000 -5.853 0.000) 5.853 4.715 ( 0.000 -3.923 0.000) 3.923 4.851 ( 0.000 -11.104 0.000) 11.104 6.423 ( 0.000 7.318 0.000) 7.318 6.543 ( 0.000 2.843 0.000) 2.843 6.811 ( 0.000 5.413 0.000) 5.413 6.897 ( 0.000 4.507 0.000) 4.507 6.996 ( 0.000 -1.914 0.000) 1.914 7.166 ( 0.000 4.000 0.000) 4.000 7.253 ( 0.000 -4.606 0.000) 4.606 7.254 ( 0.000 1.469 0.000) 1.469 7.276 ( 0.000 0.271 0.000) 0.271 7.326 ( 0.000 -6.123 0.000) 6.123 7.452 ( 0.000 -0.534 0.000) 0.534 7.901 ( 0.000 0.950 0.000) 0.950 7.966 ( 0.000 3.408 0.000) 3.408 8.071 ( 0.000 -2.767 0.000) 2.767 8.083 ( 0.000 -22.041 0.000) 22.041 8.369 ( 0.000 14.940 0.000) 14.940 8.389 ( 0.000 -7.970 0.000) 7.970 8.576 ( 0.000 11.748 0.000) 11.748 8.821 ( 0.000 -2.620 0.000) 2.620 9.063 ( 0.000 0.577 0.000) 0.577 9.317 ( 0.000 -0.811 0.000) 0.811 9.893 ( 0.000 -17.662 0.000) 17.662 9.935 ( 0.000 1.703 0.000) 1.703 10.295 ( 0.000 -6.615 0.000) 6.615 10.360 ( 0.000 -2.797 0.000) 2.797 10.363 ( 0.000 -3.204 0.000) 3.204 10.501 ( 0.000 -2.320 0.000) 2.320 10.725 ( 0.000 -5.815 0.000) 5.815 11.764 ( 0.000 10.766 0.000) 10.766 12.366 ( 0.000 -6.042 0.000) 6.042 12.724 ( 0.000 1.350 0.000) 1.350 12.825 ( 0.000 -3.358 0.000) 3.358 13.058 ( 0.000 16.578 0.000) 16.578 13.809 ( 0.000 16.894 0.000) 16.894 13.924 ( 0.000 -10.465 0.000) 10.465 14.654 ( 0.000 -7.712 0.000) 7.712 14.806 ( 0.000 -2.140 0.000) 2.140 14.812 ( 0.000 -0.767 0.000) 0.767 15.238 ( 0.000 2.184 0.000) 2.184 15.516 ( 0.000 -4.496 0.000) 4.496 15.827 ( 0.000 -0.547 0.000) 0.547 15.830 ( 0.000 -0.015 0.000) 0.015 16.022 ( 0.000 8.243 0.000) 8.243 16.471 ( 0.000 -4.216 0.000) 4.216 23.768 ( 0.000 1.501 0.000) 1.501 23.871 ( 0.000 5.848 0.000) 5.848 23.912 ( 0.000 -2.197 0.000) 2.197 24.030 ( 0.000 -0.427 0.000) 0.427 24.067 ( 0.000 -1.051 0.000) 1.051 24.111 ( 0.000 -1.744 0.000) 1.744 24.763 ( 0.000 4.562 0.000) 4.562 25.203 ( 0.000 -7.078 0.000) 7.078 26.569 ( 0.000 -2.021 0.000) 2.021 26.629 ( 0.000 -4.897 0.000) 4.897 26.768 ( 0.000 -2.677 0.000) 2.677 26.860 ( 0.000 -3.613 0.000) 3.613 27.012 ( 0.000 7.341 0.000) 7.341 27.168 ( 0.000 3.791 0.000) 3.791 27.446 ( 0.000 10.103 0.000) 10.103 27.924 ( 0.000 -7.170 0.000) 7.170 ======================= Grid point 19 (12/60) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 9.439 18.604 0.000) 20.861 1.315 ( 11.541 24.085 0.000) 26.707 1.662 ( 2.932 0.904 0.000) 3.069 1.885 ( -1.077 23.710 0.000) 23.734 1.949 ( -7.671 11.134 0.000) 13.521 2.047 ( 10.033 15.434 0.000) 18.408 2.114 ( 1.311 3.927 0.000) 4.140 2.252 ( 4.134 11.378 0.000) 12.106 2.568 ( 9.661 3.907 0.000) 10.421 2.669 ( 5.801 -0.133 0.000) 5.803 2.715 ( 4.627 -4.486 0.000) 6.445 2.779 ( -5.381 -3.118 0.000) 6.218 2.851 ( -3.118 -6.129 0.000) 6.877 2.891 ( 1.282 -5.399 0.000) 5.549 2.981 ( 5.096 -6.424 0.000) 8.200 3.026 ( 3.264 -4.730 0.000) 5.747 3.142 ( 7.084 3.909 0.000) 8.091 3.182 ( -3.391 1.560 0.000) 3.733 3.209 ( 5.652 1.030 0.000) 5.745 3.269 ( 0.798 -1.935 0.000) 2.093 3.399 ( 1.453 -2.108 0.000) 2.560 3.442 ( 9.236 -3.705 0.000) 9.952 3.450 ( 8.636 -3.266 0.000) 9.233 3.566 ( -0.860 -1.403 0.000) 1.645 3.761 ( 6.031 -1.624 0.000) 6.246 3.766 ( 1.513 0.487 0.000) 1.590 3.902 ( 6.853 4.414 0.000) 8.152 4.001 ( 3.897 0.397 0.000) 3.917 4.144 ( 3.760 -4.414 0.000) 5.798 4.320 ( -0.076 3.356 0.000) 3.357 4.363 ( -2.356 6.686 0.000) 7.089 4.366 ( 3.162 4.472 0.000) 5.477 4.450 ( 5.569 -2.672 0.000) 6.177 4.628 ( 2.852 -6.566 0.000) 7.159 4.765 ( 5.300 -3.414 0.000) 6.304 4.891 ( 4.204 -10.531 0.000) 11.339 6.345 ( -6.005 6.940 0.000) 9.177 6.521 ( -2.139 1.987 0.000) 2.919 6.856 ( 2.883 7.157 0.000) 7.716 6.884 ( -1.726 3.922 0.000) 4.285 7.000 ( -15.303 4.156 0.000) 15.858 7.034 ( 3.150 -1.610 0.000) 3.537 7.196 ( -2.205 3.668 0.000) 4.280 7.202 ( -1.378 -2.736 0.000) 3.064 7.307 ( 1.258 2.519 0.000) 2.815 7.313 ( 2.317 -2.202 0.000) 3.197 7.529 ( 1.221 -7.199 0.000) 7.301 7.828 ( -8.108 0.788 0.000) 8.146 7.892 ( -0.942 1.125 0.000) 1.468 8.102 ( 2.790 -3.652 0.000) 4.596 8.190 ( 5.038 -18.550 0.000) 19.222 8.370 ( 0.029 14.399 0.000) 14.399 8.381 ( 0.577 -5.105 0.000) 5.137 8.686 ( 6.362 3.394 0.000) 7.210 8.812 ( -0.652 -0.816 0.000) 1.044 9.079 ( 1.275 0.992 0.000) 1.615 9.337 ( 1.905 -1.165 0.000) 2.233 9.895 ( 0.184 -17.957 0.000) 17.958 9.948 ( 1.047 0.292 0.000) 1.087 10.306 ( -5.127 -2.437 0.000) 5.676 10.310 ( 1.212 -8.433 0.000) 8.519 10.331 ( -3.243 -3.317 0.000) 4.639 10.474 ( -2.454 -2.714 0.000) 3.659 10.659 ( -6.253 -4.992 0.000) 8.001 11.766 ( 0.200 10.140 0.000) 10.142 12.341 ( -2.415 -5.802 0.000) 6.284 12.560 ( -16.151 5.541 0.000) 17.075 12.792 ( 1.235 -1.579 0.000) 2.004 13.001 ( -5.080 16.656 0.000) 17.413 13.757 ( -4.786 15.989 0.000) 16.690 13.845 ( -6.809 -9.959 0.000) 12.064 14.604 ( -5.872 -9.779 0.000) 11.407 14.831 ( 1.757 -1.283 0.000) 2.175 14.854 ( 3.886 -0.820 0.000) 3.971 15.413 ( 13.349 0.045 0.000) 13.349 15.573 ( 4.466 -2.457 0.000) 5.097 15.827 ( 0.348 0.588 0.000) 0.683 15.910 ( 6.957 -2.032 0.000) 7.248 16.070 ( 5.199 5.600 0.000) 7.641 16.471 ( -0.057 -4.277 0.000) 4.278 23.766 ( -0.130 1.490 0.000) 1.496 23.868 ( -0.268 5.762 0.000) 5.769 23.911 ( -0.104 -2.258 0.000) 2.261 24.025 ( -0.011 -0.038 0.000) 0.040 24.092 ( 1.733 -1.775 0.000) 2.481 24.111 ( -0.038 -1.823 0.000) 1.823 24.739 ( -2.509 4.410 0.000) 5.074 25.043 ( -11.791 -0.411 0.000) 11.798 26.520 ( -3.825 -1.164 0.000) 3.998 26.625 ( -0.710 -5.344 0.000) 5.391 26.767 ( -1.475 -3.812 0.000) 4.087 26.873 ( 0.280 -5.709 0.000) 5.716 27.042 ( 2.511 7.130 0.000) 7.559 27.218 ( 4.517 3.475 0.000) 5.699 27.521 ( 4.662 5.253 0.000) 7.024 27.933 ( 2.114 -7.359 0.000) 7.656 ======================= Grid point 20 (13/60) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 12.612 12.254 0.000) 17.585 1.560 ( 12.596 18.105 0.000) 22.055 1.729 ( 3.168 2.396 0.000) 3.972 1.766 ( -7.707 10.145 0.000) 12.740 1.887 ( 2.084 21.781 0.000) 21.881 2.126 ( 0.481 -0.260 0.000) 0.547 2.198 ( 4.949 8.863 0.000) 10.151 2.487 ( 10.783 7.900 0.000) 13.367 2.619 ( -6.069 -7.784 0.000) 9.871 2.695 ( -2.610 -1.866 0.000) 3.209 2.700 ( -4.114 -0.934 0.000) 4.219 2.770 ( 5.515 -0.475 0.000) 5.536 2.934 ( 2.973 -2.543 0.000) 3.912 2.995 ( 14.934 5.950 0.000) 16.076 3.030 ( -0.052 0.412 0.000) 0.415 3.085 ( 1.325 -4.713 0.000) 4.896 3.119 ( 1.097 -0.724 0.000) 1.314 3.292 ( 3.357 0.607 0.000) 3.411 3.315 ( 1.201 -2.201 0.000) 2.507 3.326 ( 4.421 -1.358 0.000) 4.625 3.418 ( 0.583 -0.848 0.000) 1.029 3.594 ( 11.275 0.413 0.000) 11.283 3.632 ( 9.102 -3.407 0.000) 9.719 3.665 ( 5.679 -2.683 0.000) 6.281 3.814 ( 2.132 5.272 0.000) 5.687 3.943 ( 10.869 -6.649 0.000) 12.742 4.030 ( 4.825 5.042 0.000) 6.979 4.086 ( 3.603 -2.741 0.000) 4.527 4.218 ( 3.055 0.496 0.000) 3.095 4.351 ( 3.564 10.431 0.000) 11.023 4.362 ( 4.313 2.569 0.000) 5.020 4.497 ( 7.495 -0.952 0.000) 7.555 4.552 ( 3.402 -2.359 0.000) 4.140 4.726 ( 9.952 -4.092 0.000) 10.761 4.945 ( 12.706 -4.759 0.000) 13.568 5.033 ( 10.236 -8.747 0.000) 13.464 6.234 ( -4.395 6.152 0.000) 7.560 6.464 ( -3.363 0.456 0.000) 3.393 6.703 ( -11.825 6.655 0.000) 13.569 6.848 ( -2.870 1.226 0.000) 3.121 6.890 ( 0.445 9.970 0.000) 9.980 7.088 ( 1.594 -1.826 0.000) 2.424 7.169 ( -1.106 5.430 0.000) 5.542 7.197 ( 0.463 -5.754 0.000) 5.773 7.337 ( 1.707 3.162 0.000) 3.594 7.349 ( 1.536 -1.240 0.000) 1.974 7.492 ( -4.018 -8.670 0.000) 9.556 7.695 ( -4.812 0.418 0.000) 4.830 7.860 ( -2.282 2.192 0.000) 3.165 8.156 ( 1.872 -7.305 0.000) 7.541 8.242 ( -0.230 -15.693 0.000) 15.695 8.369 ( 0.067 14.697 0.000) 14.697 8.406 ( 1.188 -7.269 0.000) 7.366 8.741 ( -0.720 2.601 0.000) 2.699 8.803 ( -0.157 2.896 0.000) 2.901 9.114 ( 2.442 2.745 0.000) 3.673 9.382 ( 2.196 -2.209 0.000) 3.115 9.900 ( 0.373 -18.683 0.000) 18.687 9.968 ( 1.079 -1.566 0.000) 1.902 10.168 ( -7.906 -1.210 0.000) 7.998 10.247 ( -4.547 -3.748 0.000) 5.892 10.322 ( -0.585 -12.284 0.000) 12.298 10.416 ( -3.076 -2.831 0.000) 4.181 10.497 ( -8.842 -3.085 0.000) 9.365 11.772 ( 0.446 8.588 0.000) 8.600 12.253 ( -12.611 10.980 0.000) 16.721 12.276 ( -3.852 -5.122 0.000) 6.409 12.833 ( 2.221 -6.054 0.000) 6.449 12.887 ( -5.460 16.918 0.000) 17.777 13.632 ( -7.198 15.776 0.000) 17.341 13.699 ( -6.761 -8.984 0.000) 11.244 14.468 ( -6.217 -9.441 0.000) 11.304 14.857 ( 0.663 0.046 0.000) 0.665 14.943 ( 4.293 -1.518 0.000) 4.553 15.504 ( -2.474 7.686 0.000) 8.074 15.766 ( 11.528 -3.772 0.000) 12.129 15.840 ( 0.934 2.401 0.000) 2.576 16.076 ( 8.523 -4.651 0.000) 9.710 16.221 ( 8.662 0.608 0.000) 8.683 16.466 ( -0.398 -4.243 0.000) 4.262 23.764 ( 0.006 1.391 0.000) 1.391 23.861 ( -0.395 5.531 0.000) 5.545 23.907 ( -0.306 -2.308 0.000) 2.328 24.035 ( 0.886 0.189 0.000) 0.906 24.110 ( -0.062 -2.017 0.000) 2.018 24.121 ( 0.993 -2.156 0.000) 2.373 24.663 ( -4.419 4.871 0.000) 6.577 24.844 ( -7.462 1.696 0.000) 7.653 26.443 ( -3.497 -0.140 0.000) 3.500 26.604 ( -1.151 -5.997 0.000) 6.107 26.716 ( -3.109 -2.944 0.000) 4.282 26.844 ( -2.757 -5.907 0.000) 6.519 27.096 ( 2.549 7.511 0.000) 7.932 27.324 ( 5.410 2.581 0.000) 5.994 27.540 ( -2.312 4.789 0.000) 5.317 28.027 ( 5.983 -10.854 0.000) 12.394 ======================= Grid point 21 (14/60) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 5.889 9.879 0.000) 11.501 1.658 ( -3.103 9.765 0.000) 10.246 1.789 ( 3.268 4.053 0.000) 5.206 1.825 ( 13.485 10.293 0.000) 16.964 1.992 ( 8.409 16.345 0.000) 18.381 2.128 ( -0.215 -2.721 0.000) 2.730 2.285 ( 1.909 5.726 0.000) 6.035 2.397 ( -8.068 3.898 0.000) 8.961 2.531 ( -11.158 4.075 0.000) 11.879 2.591 ( -5.071 -1.035 0.000) 5.175 2.743 ( 8.343 -2.655 0.000) 8.755 2.911 ( 6.761 -0.209 0.000) 6.764 2.984 ( 1.302 -2.424 0.000) 2.751 3.031 ( -4.561 -3.628 0.000) 5.828 3.032 ( 0.952 3.621 0.000) 3.744 3.183 ( 3.716 -0.812 0.000) 3.804 3.282 ( -2.128 -6.410 0.000) 6.754 3.283 ( 9.868 1.922 0.000) 10.054 3.363 ( 2.326 -3.401 0.000) 4.120 3.404 ( 2.794 -0.778 0.000) 2.900 3.404 ( -1.596 -1.897 0.000) 2.479 3.684 ( 0.493 -2.388 0.000) 2.439 3.803 ( 1.326 1.423 0.000) 1.945 3.850 ( 9.650 6.038 0.000) 11.384 3.859 ( 8.614 -0.043 0.000) 8.614 4.058 ( 1.126 -5.726 0.000) 5.836 4.102 ( -0.762 0.320 0.000) 0.826 4.121 ( 2.146 1.185 0.000) 2.452 4.271 ( 2.007 2.925 0.000) 3.547 4.400 ( -3.049 2.612 0.000) 4.015 4.565 ( 14.163 11.316 0.000) 18.128 4.593 ( 5.091 -3.508 0.000) 6.183 4.633 ( 3.950 -4.315 0.000) 5.850 5.020 ( 15.941 1.720 0.000) 16.033 5.233 ( 13.646 -7.244 0.000) 15.450 5.262 ( 9.639 -4.521 0.000) 10.646 6.176 ( -1.457 5.032 0.000) 5.238 6.394 ( -3.277 -0.862 0.000) 3.389 6.519 ( -6.513 4.734 0.000) 8.052 6.801 ( -1.431 -0.976 0.000) 1.732 6.884 ( -0.719 11.501 0.000) 11.523 7.097 ( -0.246 -2.206 0.000) 2.220 7.143 ( -1.387 7.367 0.000) 7.496 7.199 ( -0.363 -8.225 0.000) 8.233 7.370 ( 0.021 0.160 0.000) 0.161 7.377 ( 0.972 0.350 0.000) 1.033 7.426 ( 0.135 -4.651 0.000) 4.653 7.628 ( -2.122 -4.596 0.000) 5.062 7.802 ( -3.099 4.545 0.000) 5.501 8.159 ( -7.769 -11.182 0.000) 13.615 8.167 ( -0.409 -10.229 0.000) 10.237 8.379 ( 0.817 15.417 0.000) 15.439 8.416 ( 0.033 -11.788 0.000) 11.788 8.710 ( -1.166 8.981 0.000) 9.056 8.805 ( 0.178 5.308 0.000) 5.311 9.170 ( 2.557 2.453 0.000) 3.543 9.414 ( 0.813 -3.641 0.000) 3.731 9.910 ( 0.699 -18.333 0.000) 18.346 10.003 ( 2.449 -3.548 0.000) 4.311 10.020 ( -6.102 -0.673 0.000) 6.139 10.167 ( -2.999 -4.069 0.000) 5.055 10.273 ( -4.147 -13.664 0.000) 14.280 10.330 ( -4.990 0.893 0.000) 5.069 10.379 ( -2.171 -4.971 0.000) 5.425 11.783 ( 0.624 6.910 0.000) 6.938 12.069 ( -5.860 11.775 0.000) 13.153 12.200 ( -3.205 -4.231 0.000) 5.307 12.801 ( -2.892 17.137 0.000) 17.379 12.874 ( 1.801 -10.728 0.000) 10.878 13.491 ( -6.050 17.278 0.000) 18.306 13.593 ( -3.555 -8.219 0.000) 8.955 14.377 ( -2.842 -9.467 0.000) 9.884 14.862 ( -0.018 0.699 0.000) 0.699 15.010 ( 2.186 -2.673 0.000) 3.453 15.434 ( -3.361 12.788 0.000) 13.222 15.860 ( 0.966 4.347 0.000) 4.453 15.938 ( 5.471 -1.810 0.000) 5.763 16.220 ( 5.307 -6.265 0.000) 8.211 16.373 ( 5.686 -1.772 0.000) 5.956 16.457 ( -0.431 -3.974 0.000) 3.997 23.767 ( 0.196 1.163 0.000) 1.179 23.853 ( -0.346 5.255 0.000) 5.266 23.900 ( -0.338 -2.180 0.000) 2.206 24.055 ( 0.985 0.164 0.000) 0.999 24.109 ( -0.048 -2.214 0.000) 2.214 24.131 ( 0.110 -1.900 0.000) 1.903 24.600 ( -1.312 4.078 0.000) 4.284 24.721 ( -5.167 1.457 0.000) 5.369 26.387 ( -1.896 0.442 0.000) 1.947 26.585 ( -0.691 -6.453 0.000) 6.489 26.659 ( -2.194 -2.136 0.000) 3.063 26.788 ( -2.327 -5.146 0.000) 5.648 27.137 ( 1.490 8.199 0.000) 8.333 27.415 ( 3.301 1.806 0.000) 3.763 27.481 ( -2.619 7.329 0.000) 7.783 28.125 ( 3.344 -13.273 0.000) 13.688 ======================= Grid point 22 (15/60) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 0.000 9.485 0.000) 9.485 1.655 ( -0.000 12.198 0.000) 12.198 1.831 ( 0.000 2.042 0.000) 2.042 2.069 ( 0.000 5.945 0.000) 5.945 2.088 ( -0.000 -5.526 0.000) 5.526 2.151 ( -0.000 11.387 0.000) 11.387 2.183 ( 0.000 3.445 0.000) 3.445 2.348 ( 0.000 8.574 0.000) 8.574 2.385 ( -0.000 10.192 0.000) 10.192 2.521 ( 0.000 -1.458 0.000) 1.458 2.866 ( -0.000 0.563 0.000) 0.563 2.938 ( 0.000 -4.881 0.000) 4.881 2.993 ( 0.000 -2.536 0.000) 2.536 2.997 ( -0.000 -0.402 0.000) 0.402 3.048 ( -0.000 4.648 0.000) 4.648 3.229 ( 0.000 -1.435 0.000) 1.435 3.259 ( 0.000 -4.338 0.000) 4.338 3.374 ( 0.000 0.277 0.000) 0.277 3.380 ( -0.000 -4.375 0.000) 4.375 3.385 ( -0.000 8.766 0.000) 8.766 3.427 ( -0.000 -16.812 0.000) 16.812 3.685 ( 0.000 -4.087 0.000) 4.087 3.805 ( 0.000 5.359 0.000) 5.359 3.945 ( -0.000 1.267 0.000) 1.267 4.046 ( -0.000 6.438 0.000) 6.438 4.061 ( 0.000 -4.405 0.000) 4.405 4.087 ( 0.000 -1.547 0.000) 1.547 4.090 ( -0.000 2.075 0.000) 2.075 4.281 ( -0.000 0.666 0.000) 0.666 4.343 ( 0.000 3.099 0.000) 3.099 4.663 ( -0.000 -3.021 0.000) 3.021 4.672 ( 0.000 -3.960 0.000) 3.960 4.734 ( 0.000 10.067 0.000) 10.067 5.236 ( -0.000 3.575 0.000) 3.575 5.337 ( 0.000 -2.033 0.000) 2.033 5.390 ( 0.000 -8.263 0.000) 8.263 6.165 ( 0.000 4.577 0.000) 4.577 6.354 ( 0.000 -1.571 0.000) 1.571 6.449 ( 0.000 3.621 0.000) 3.621 6.790 ( 0.000 -1.426 0.000) 1.426 6.874 ( 0.000 11.928 0.000) 11.928 7.093 ( 0.000 -2.486 0.000) 2.486 7.126 ( 0.000 7.799 0.000) 7.799 7.193 ( 0.000 -8.600 0.000) 8.600 7.350 ( 0.000 -3.303 0.000) 3.303 7.385 ( 0.000 0.404 0.000) 0.404 7.473 ( 0.000 -0.465 0.000) 0.465 7.601 ( 0.000 -9.995 0.000) 9.995 7.764 ( 0.000 6.174 0.000) 6.174 8.041 ( 0.000 -7.119 0.000) 7.119 8.160 ( 0.000 -10.649 0.000) 10.649 8.390 ( 0.000 15.291 0.000) 15.291 8.415 ( 0.000 -12.696 0.000) 12.696 8.701 ( 0.000 11.220 0.000) 11.220 8.807 ( 0.000 5.893 0.000) 5.893 9.198 ( 0.000 1.767 0.000) 1.767 9.420 ( 0.000 -4.304 0.000) 4.304 9.930 ( 0.000 -21.880 0.000) 21.880 9.944 ( -0.000 3.330 0.000) 3.330 10.041 ( -0.000 -4.951 0.000) 4.951 10.136 ( 0.000 -4.112 0.000) 4.112 10.215 ( 0.000 -12.651 0.000) 12.651 10.276 ( 0.000 2.077 0.000) 2.077 10.359 ( 0.000 -6.005 0.000) 6.005 11.791 ( 0.000 6.139 0.000) 6.139 12.011 ( 0.000 11.658 0.000) 11.658 12.165 ( 0.000 -3.763 0.000) 3.763 12.772 ( 0.000 17.193 0.000) 17.193 12.895 ( 0.000 -13.337 0.000) 13.337 13.424 ( 0.000 18.903 0.000) 18.903 13.558 ( 0.000 -7.940 0.000) 7.940 14.350 ( -0.000 -9.691 0.000) 9.691 14.861 ( 0.000 0.848 0.000) 0.848 15.031 ( -0.000 -3.223 0.000) 3.223 15.396 ( 0.000 14.597 0.000) 14.597 15.871 ( 0.000 5.166 0.000) 5.166 15.992 ( 0.000 -0.991 0.000) 0.991 16.275 ( 0.000 -6.756 0.000) 6.756 16.432 ( 0.000 -2.360 0.000) 2.360 16.452 ( 0.000 -3.766 0.000) 3.766 23.769 ( -0.000 1.008 0.000) 1.008 23.849 ( 0.000 5.100 0.000) 5.100 23.896 ( 0.000 -2.023 0.000) 2.023 24.067 ( -0.000 0.049 0.000) 0.049 24.108 ( 0.000 -2.297 0.000) 2.297 24.131 ( -0.000 -1.641 0.000) 1.641 24.602 ( 0.000 2.533 0.000) 2.533 24.653 ( -0.000 2.455 0.000) 2.455 26.368 ( 0.000 0.635 0.000) 0.635 26.578 ( 0.000 -6.607 0.000) 6.607 26.636 ( 0.000 -1.822 0.000) 1.822 26.763 ( 0.000 -4.821 0.000) 4.821 27.153 ( 0.000 8.498 0.000) 8.498 27.449 ( 0.000 1.532 0.000) 1.532 27.453 ( 0.000 8.263 0.000) 8.263 28.159 ( 0.000 -13.955 0.000) 13.955 ======================= Grid point 27 (16/60) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 0.000 13.577 0.000) 13.577 1.608 ( 0.000 -4.248 0.000) 4.248 1.700 ( 0.000 24.328 0.000) 24.328 2.091 ( 0.000 -9.938 0.000) 9.938 2.196 ( 0.000 3.913 0.000) 3.913 2.257 ( 0.000 -1.095 0.000) 1.095 2.306 ( 0.000 9.099 0.000) 9.099 2.353 ( 0.000 19.651 0.000) 19.651 2.442 ( 0.000 -0.475 0.000) 0.475 2.597 ( 0.000 -1.468 0.000) 1.468 2.634 ( 0.000 2.689 0.000) 2.689 2.717 ( 0.000 -4.809 0.000) 4.809 2.735 ( 0.000 -5.554 0.000) 5.554 2.745 ( 0.000 -8.936 0.000) 8.936 2.801 ( 0.000 -3.460 0.000) 3.460 2.851 ( 0.000 -6.175 0.000) 6.175 3.124 ( 0.000 4.164 0.000) 4.164 3.217 ( 0.000 1.879 0.000) 1.879 3.218 ( 0.000 -4.633 0.000) 4.633 3.274 ( 0.000 -3.468 0.000) 3.468 3.291 ( 0.000 2.073 0.000) 2.073 3.341 ( 0.000 -2.566 0.000) 2.566 3.476 ( 0.000 21.893 0.000) 21.893 3.611 ( 0.000 1.777 0.000) 1.777 3.662 ( 0.000 -2.412 0.000) 2.412 3.758 ( 0.000 1.283 0.000) 1.283 3.795 ( 0.000 -2.899 0.000) 2.899 3.894 ( 0.000 -16.274 0.000) 16.274 4.103 ( 0.000 8.849 0.000) 8.849 4.270 ( 0.000 -7.113 0.000) 7.113 4.411 ( 0.000 3.230 0.000) 3.230 4.474 ( 0.000 7.046 0.000) 7.046 4.482 ( 0.000 -4.226 0.000) 4.226 4.528 ( 0.000 6.257 0.000) 6.257 4.635 ( 0.000 -4.345 0.000) 4.345 4.640 ( 0.000 -9.379 0.000) 9.379 6.538 ( 0.000 3.953 0.000) 3.953 6.578 ( 0.000 0.078 0.000) 0.078 6.902 ( 0.000 3.230 0.000) 3.230 6.953 ( 0.000 -2.246 0.000) 2.246 7.007 ( 0.000 6.541 0.000) 6.541 7.162 ( 0.000 -8.392 0.000) 8.392 7.216 ( 0.000 1.037 0.000) 1.037 7.248 ( 0.000 3.586 0.000) 3.586 7.255 ( 0.000 -1.488 0.000) 1.488 7.289 ( 0.000 -0.521 0.000) 0.521 7.498 ( 0.000 5.530 0.000) 5.530 7.700 ( 0.000 -14.803 0.000) 14.803 7.928 ( 0.000 2.017 0.000) 2.017 7.992 ( 0.000 -4.171 0.000) 4.171 8.066 ( 0.000 6.530 0.000) 6.530 8.221 ( 0.000 -8.390 0.000) 8.390 8.658 ( 0.000 11.860 0.000) 11.860 8.790 ( 0.000 -1.952 0.000) 1.952 8.826 ( 0.000 12.049 0.000) 12.049 9.016 ( 0.000 -5.884 0.000) 5.884 9.331 ( 0.000 3.907 0.000) 3.907 9.536 ( 0.000 -15.827 0.000) 15.827 9.980 ( 0.000 3.323 0.000) 3.323 10.101 ( 0.000 -9.072 0.000) 9.072 10.317 ( 0.000 -1.195 0.000) 1.195 10.317 ( 0.000 -1.195 0.000) 1.195 10.529 ( 0.000 3.262 0.000) 3.262 10.613 ( 0.000 -4.994 0.000) 4.994 11.998 ( 0.000 11.660 0.000) 11.660 12.212 ( 0.000 -9.222 0.000) 9.222 12.751 ( 0.000 1.288 0.000) 1.288 12.779 ( 0.000 -1.594 0.000) 1.594 13.387 ( 0.000 15.580 0.000) 15.580 13.680 ( 0.000 -13.419 0.000) 13.419 14.146 ( 0.000 16.098 0.000) 16.098 14.443 ( 0.000 -12.912 0.000) 12.912 14.780 ( 0.000 -0.283 0.000) 0.283 14.791 ( 0.000 -1.079 0.000) 1.079 15.309 ( 0.000 4.617 0.000) 4.617 15.413 ( 0.000 -5.404 0.000) 5.404 15.823 ( 0.000 0.099 0.000) 0.099 15.827 ( 0.000 -0.232 0.000) 0.232 16.199 ( 0.000 8.718 0.000) 8.718 16.359 ( 0.000 -6.854 0.000) 6.854 23.808 ( 0.000 2.398 0.000) 2.398 23.860 ( 0.000 -2.695 0.000) 2.695 23.982 ( 0.000 4.823 0.000) 4.823 24.030 ( 0.000 0.421 0.000) 0.421 24.046 ( 0.000 -1.024 0.000) 1.024 24.062 ( 0.000 -3.169 0.000) 3.169 24.881 ( 0.000 7.089 0.000) 7.089 25.041 ( 0.000 -8.409 0.000) 8.409 26.542 ( 0.000 -0.440 0.000) 0.440 26.558 ( 0.000 -2.129 0.000) 2.129 26.749 ( 0.000 0.719 0.000) 0.719 26.790 ( 0.000 -3.040 0.000) 3.040 27.142 ( 0.000 5.041 0.000) 5.041 27.201 ( 0.000 -0.644 0.000) 0.644 27.631 ( 0.000 8.156 0.000) 8.156 27.781 ( 0.000 -6.995 0.000) 6.995 ======================= Grid point 28 (17/60) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 5.089 11.890 0.000) 12.933 1.641 ( 3.101 -3.809 0.000) 4.912 1.790 ( 7.287 22.119 0.000) 23.288 2.097 ( -3.949 1.860 0.000) 4.365 2.133 ( -4.571 -1.064 0.000) 4.693 2.208 ( 1.318 -7.108 0.000) 7.229 2.335 ( -1.095 19.725 0.000) 19.755 2.366 ( 5.454 9.205 0.000) 10.699 2.556 ( 7.152 -6.459 0.000) 9.636 2.628 ( 1.231 -7.186 0.000) 7.291 2.652 ( 0.915 3.452 0.000) 3.571 2.748 ( 1.085 -3.635 0.000) 3.794 2.773 ( 5.043 -2.265 0.000) 5.529 2.781 ( 1.716 0.616 0.000) 1.823 2.842 ( 6.594 -6.811 0.000) 9.480 2.889 ( 3.251 -7.501 0.000) 8.175 3.222 ( 0.788 2.906 0.000) 3.011 3.246 ( 2.951 1.914 0.000) 3.518 3.248 ( 4.212 3.693 0.000) 5.602 3.311 ( 2.937 -3.070 0.000) 4.249 3.322 ( 3.140 -2.250 0.000) 3.863 3.378 ( 10.584 -3.801 0.000) 11.246 3.558 ( 7.675 19.788 0.000) 21.224 3.588 ( -1.037 3.371 0.000) 3.527 3.683 ( 1.316 -5.245 0.000) 5.407 3.809 ( 5.145 2.884 0.000) 5.898 3.879 ( 6.962 -4.372 0.000) 8.221 3.954 ( 5.446 -12.088 0.000) 13.258 4.140 ( 3.947 8.326 0.000) 9.214 4.319 ( 5.167 -7.438 0.000) 9.057 4.406 ( 0.238 2.943 0.000) 2.952 4.481 ( 0.151 -1.564 0.000) 1.571 4.516 ( 3.792 3.871 0.000) 5.419 4.523 ( 0.289 8.345 0.000) 8.350 4.672 ( 3.799 -6.027 0.000) 7.124 4.684 ( 4.555 -9.587 0.000) 10.614 6.467 ( -5.636 4.871 0.000) 7.449 6.532 ( -3.976 -1.326 0.000) 4.191 6.964 ( 4.571 2.846 0.000) 5.385 6.966 ( -4.125 4.159 0.000) 5.858 7.002 ( 3.746 -1.577 0.000) 4.065 7.029 ( -10.188 -1.215 0.000) 10.261 7.191 ( -1.641 3.048 0.000) 3.462 7.245 ( -1.279 2.225 0.000) 2.567 7.272 ( 1.233 -3.244 0.000) 3.470 7.310 ( 1.634 -3.586 0.000) 3.941 7.490 ( -1.016 5.493 0.000) 5.587 7.686 ( -1.456 -12.512 0.000) 12.596 7.922 ( -0.551 2.238 0.000) 2.305 7.997 ( 0.337 -5.201 0.000) 5.212 8.071 ( 0.421 5.434 0.000) 5.450 8.228 ( 0.636 -8.696 0.000) 8.719 8.667 ( 0.892 12.813 0.000) 12.844 8.809 ( 1.786 -1.441 0.000) 2.294 8.870 ( 3.443 11.207 0.000) 11.724 9.048 ( 2.775 -5.126 0.000) 5.829 9.336 ( 0.408 2.896 0.000) 2.924 9.530 ( -0.558 -15.961 0.000) 15.971 9.965 ( -1.327 2.178 0.000) 2.551 10.080 ( -2.010 -9.868 0.000) 10.071 10.273 ( -4.111 -0.608 0.000) 4.156 10.282 ( -3.424 -1.466 0.000) 3.725 10.500 ( -2.713 2.686 0.000) 3.818 10.566 ( -4.416 -3.986 0.000) 5.949 11.988 ( -0.937 11.130 0.000) 11.169 12.193 ( -1.817 -8.853 0.000) 9.038 12.662 ( -8.344 4.569 0.000) 9.513 12.743 ( -2.711 -3.348 0.000) 4.308 13.327 ( -5.228 15.290 0.000) 16.159 13.612 ( -5.898 -12.889 0.000) 14.174 14.077 ( -5.837 15.505 0.000) 16.567 14.371 ( -6.243 -13.250 0.000) 14.647 14.818 ( 2.949 0.074 0.000) 2.950 14.832 ( 3.538 -1.154 0.000) 3.721 15.447 ( 11.665 2.916 0.000) 12.024 15.514 ( 8.167 -3.383 0.000) 8.840 15.844 ( 2.031 1.154 0.000) 2.336 15.873 ( 4.283 -1.643 0.000) 4.587 16.210 ( 1.368 7.696 0.000) 7.817 16.359 ( 0.071 -6.668 0.000) 6.668 23.806 ( -0.161 2.398 0.000) 2.404 23.859 ( -0.153 -2.723 0.000) 2.727 23.978 ( -0.335 4.856 0.000) 4.868 24.033 ( 0.449 0.845 0.000) 0.957 24.058 ( 1.017 -1.524 0.000) 1.832 24.060 ( -0.207 -3.260 0.000) 3.267 24.846 ( -3.375 6.005 0.000) 6.888 24.969 ( -6.271 -5.692 0.000) 8.469 26.510 ( -2.647 0.370 0.000) 2.673 26.541 ( -1.580 -2.848 0.000) 3.257 26.731 ( -1.752 0.334 0.000) 1.784 26.775 ( -1.463 -3.756 0.000) 4.030 27.174 ( 2.879 5.392 0.000) 6.113 27.243 ( 3.716 -1.124 0.000) 3.882 27.655 ( 1.661 7.026 0.000) 7.220 27.793 ( 1.321 -6.711 0.000) 6.839 ======================= Grid point 29 (18/60) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 7.485 8.107 0.000) 11.034 1.723 ( 4.719 -2.535 0.000) 5.356 1.930 ( 5.195 16.055 0.000) 16.874 1.949 ( -6.320 9.276 0.000) 11.225 2.079 ( -2.405 -4.070 0.000) 4.727 2.260 ( 1.945 -10.092 0.000) 10.277 2.327 ( 0.504 19.625 0.000) 19.632 2.483 ( 4.817 4.867 0.000) 6.847 2.629 ( -1.150 -8.941 0.000) 9.015 2.633 ( 0.894 -3.415 0.000) 3.531 2.675 ( 1.056 5.076 0.000) 5.185 2.781 ( 5.080 2.645 0.000) 5.728 2.884 ( 4.693 0.712 0.000) 4.746 2.895 ( 6.017 -7.288 0.000) 9.451 2.961 ( 3.678 -7.529 0.000) 8.380 2.967 ( 5.352 -5.627 0.000) 7.766 3.146 ( -3.464 3.410 0.000) 4.861 3.233 ( -3.056 -4.927 0.000) 5.798 3.320 ( 3.972 2.722 0.000) 4.815 3.387 ( 4.552 -2.043 0.000) 4.989 3.501 ( 0.221 6.503 0.000) 6.507 3.597 ( 7.512 -2.536 0.000) 7.929 3.643 ( 9.505 2.997 0.000) 9.966 3.741 ( 9.476 14.290 0.000) 17.147 3.774 ( 10.790 -8.816 0.000) 13.934 3.914 ( 3.639 2.608 0.000) 4.477 4.012 ( 4.716 -4.172 0.000) 6.296 4.051 ( 3.727 -4.470 0.000) 5.820 4.277 ( 7.390 7.795 0.000) 10.741 4.414 ( 4.852 1.483 0.000) 5.074 4.460 ( -1.266 -4.263 0.000) 4.447 4.501 ( 6.056 -3.446 0.000) 6.968 4.586 ( 7.152 11.911 0.000) 13.894 4.690 ( 15.696 3.704 0.000) 16.127 4.804 ( 9.799 -9.196 0.000) 13.439 4.843 ( 12.216 -9.502 0.000) 15.476 6.355 ( -4.978 5.430 0.000) 7.367 6.441 ( -4.654 -2.848 0.000) 5.456 6.805 ( -10.877 3.653 0.000) 11.474 6.853 ( -6.738 -0.963 0.000) 6.806 7.034 ( 1.849 1.847 0.000) 2.614 7.060 ( 1.487 -1.431 0.000) 2.064 7.170 ( -0.311 6.224 0.000) 6.231 7.234 ( 0.189 2.280 0.000) 2.288 7.305 ( 1.999 -4.625 0.000) 5.039 7.319 ( -0.705 -6.150 0.000) 6.190 7.464 ( -1.289 7.715 0.000) 7.822 7.641 ( -3.101 -7.838 0.000) 8.429 7.907 ( -1.051 2.770 0.000) 2.963 7.997 ( -0.439 -6.661 0.000) 6.676 8.074 ( -0.449 2.713 0.000) 2.750 8.229 ( -1.113 -9.700 0.000) 9.764 8.691 ( 1.383 14.813 0.000) 14.878 8.853 ( 2.301 -0.357 0.000) 2.329 8.930 ( 2.166 11.966 0.000) 12.160 9.112 ( 3.222 -4.338 0.000) 5.403 9.341 ( -0.121 0.375 0.000) 0.394 9.512 ( -1.175 -16.653 0.000) 16.695 9.935 ( -1.433 -0.342 0.000) 1.473 10.029 ( -2.824 -10.849 0.000) 11.210 10.166 ( -5.947 0.819 0.000) 6.004 10.195 ( -4.772 -1.913 0.000) 5.141 10.431 ( -3.786 1.001 0.000) 3.916 10.453 ( -6.221 -1.429 0.000) 6.383 11.964 ( -1.309 9.740 0.000) 9.828 12.145 ( -2.789 -7.829 0.000) 8.310 12.479 ( -8.628 10.800 0.000) 13.823 12.680 ( -3.246 -8.943 0.000) 9.514 13.212 ( -5.463 14.927 0.000) 15.895 13.485 ( -5.928 -12.089 0.000) 13.464 13.948 ( -6.458 15.303 0.000) 16.610 14.239 ( -6.095 -13.154 0.000) 14.497 14.869 ( 1.847 1.269 0.000) 2.241 14.905 ( 3.114 -2.067 0.000) 3.737 15.638 ( 5.135 5.059 0.000) 7.208 15.709 ( 10.628 -2.500 0.000) 10.918 15.900 ( 3.321 3.578 0.000) 4.882 15.982 ( 5.995 -4.439 0.000) 7.460 16.264 ( 3.915 3.762 0.000) 5.430 16.363 ( 0.390 -5.552 0.000) 5.565 23.802 ( -0.169 2.317 0.000) 2.324 23.854 ( -0.293 -2.712 0.000) 2.728 23.970 ( -0.458 4.923 0.000) 4.944 24.048 ( 0.933 1.132 0.000) 1.467 24.055 ( -0.295 -3.469 0.000) 3.482 24.079 ( 0.972 -1.884 0.000) 2.119 24.758 ( -4.856 4.449 0.000) 6.586 24.833 ( -6.499 -2.562 0.000) 6.986 26.453 ( -2.663 1.377 0.000) 2.998 26.504 ( -1.850 -3.754 0.000) 4.185 26.686 ( -2.535 0.334 0.000) 2.557 26.734 ( -2.438 -4.309 0.000) 4.951 27.241 ( 3.385 6.280 0.000) 7.135 27.330 ( 4.416 -2.152 0.000) 4.913 27.671 ( -0.195 7.575 0.000) 7.577 27.834 ( 2.399 -8.618 0.000) 8.946 ======================= Grid point 30 (19/60) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 5.375 4.876 0.000) 7.257 1.812 ( 3.597 -0.937 0.000) 3.718 1.844 ( -3.319 8.570 0.000) 9.190 1.982 ( -0.804 -1.940 0.000) 2.100 2.092 ( 4.101 5.917 0.000) 7.199 2.258 ( -1.973 -6.857 0.000) 7.135 2.361 ( 3.023 16.910 0.000) 17.178 2.541 ( 1.741 7.790 0.000) 7.982 2.577 ( -3.960 -2.573 0.000) 4.722 2.615 ( -1.734 0.850 0.000) 1.931 2.753 ( 5.700 5.041 0.000) 7.610 2.882 ( 3.050 -3.673 0.000) 4.774 2.931 ( 0.319 -0.322 0.000) 0.453 2.951 ( 0.791 -2.335 0.000) 2.465 3.026 ( -0.184 -7.961 0.000) 7.963 3.051 ( 4.144 -12.217 0.000) 12.901 3.126 ( 1.520 4.426 0.000) 4.680 3.221 ( 2.564 -4.207 0.000) 4.927 3.396 ( 3.337 4.271 0.000) 5.420 3.451 ( -3.619 5.991 0.000) 6.999 3.471 ( 3.084 -1.326 0.000) 3.357 3.588 ( -2.218 -6.609 0.000) 6.971 3.875 ( 1.857 7.027 0.000) 7.269 3.884 ( 8.334 2.487 0.000) 8.697 3.953 ( 5.051 -4.371 0.000) 6.680 3.977 ( 4.024 1.187 0.000) 4.195 4.062 ( 2.656 0.687 0.000) 2.743 4.136 ( 4.148 -2.529 0.000) 4.858 4.324 ( -0.921 2.811 0.000) 2.958 4.396 ( -4.081 -3.682 0.000) 5.496 4.569 ( 6.625 2.196 0.000) 6.980 4.598 ( 3.473 -0.355 0.000) 3.491 4.805 ( 12.347 12.191 0.000) 17.351 5.044 ( 12.078 -11.040 0.000) 16.363 5.062 ( 18.042 3.004 0.000) 18.291 5.155 ( 15.136 -5.682 0.000) 16.167 6.277 ( -2.576 4.625 0.000) 5.294 6.355 ( -3.654 -2.984 0.000) 4.718 6.620 ( -6.901 5.515 0.000) 8.834 6.735 ( -4.132 -5.214 0.000) 6.653 7.045 ( -0.172 0.947 0.000) 0.962 7.064 ( -0.657 -1.656 0.000) 1.781 7.171 ( 0.058 8.677 0.000) 8.677 7.242 ( 0.261 2.101 0.000) 2.117 7.296 ( -1.147 -4.173 0.000) 4.328 7.336 ( 0.763 -5.319 0.000) 5.373 7.443 ( -0.496 5.318 0.000) 5.341 7.560 ( -4.861 -4.481 0.000) 6.611 7.881 ( -1.339 3.576 0.000) 3.819 7.981 ( -0.935 -7.178 0.000) 7.239 8.043 ( -2.487 1.943 0.000) 3.156 8.189 ( -2.077 -10.344 0.000) 10.550 8.720 ( 1.352 16.517 0.000) 16.572 8.892 ( 1.453 1.041 0.000) 1.787 8.960 ( 0.992 13.563 0.000) 13.599 9.165 ( 1.901 -4.786 0.000) 5.150 9.330 ( -0.740 -2.164 0.000) 2.287 9.487 ( -1.226 -18.281 0.000) 18.322 9.915 ( -0.341 -3.057 0.000) 3.076 9.975 ( -2.486 -10.186 0.000) 10.485 10.060 ( -4.099 2.644 0.000) 4.878 10.111 ( -3.131 -2.442 0.000) 3.971 10.346 ( -3.700 0.821 0.000) 3.790 10.360 ( -2.993 -0.366 0.000) 3.015 11.942 ( -0.840 8.093 0.000) 8.136 12.092 ( -2.188 -6.515 0.000) 6.872 12.341 ( -4.733 14.241 0.000) 15.007 12.624 ( -2.031 -13.506 0.000) 13.658 13.126 ( -2.892 14.760 0.000) 15.041 13.393 ( -3.103 -11.592 0.000) 12.000 13.835 ( -4.283 16.413 0.000) 16.962 14.142 ( -3.340 -13.642 0.000) 14.045 14.891 ( 0.477 2.247 0.000) 2.297 14.948 ( 1.232 -3.193 0.000) 3.423 15.691 ( 0.856 11.660 0.000) 11.692 15.870 ( 5.064 -5.751 0.000) 7.663 15.963 ( 2.563 5.750 0.000) 6.296 16.089 ( 4.074 -6.524 0.000) 7.692 16.347 ( 3.653 -0.347 0.000) 3.670 16.376 ( 0.727 -3.235 0.000) 3.316 23.800 ( -0.057 2.095 0.000) 2.096 23.848 ( -0.278 -2.559 0.000) 2.574 23.961 ( -0.316 4.972 0.000) 4.982 24.050 ( -0.210 -3.668 0.000) 3.674 24.067 ( 0.779 0.975 0.000) 1.248 24.094 ( 0.472 -1.688 0.000) 1.753 24.676 ( -2.808 3.260 0.000) 4.303 24.723 ( -4.197 -1.251 0.000) 4.380 26.410 ( -1.477 2.014 0.000) 2.497 26.474 ( -1.054 -4.345 0.000) 4.471 26.640 ( -1.747 0.602 0.000) 1.848 26.689 ( -1.781 -4.052 0.000) 4.426 27.299 ( 2.091 7.118 0.000) 7.419 27.404 ( 2.724 -3.005 0.000) 4.056 27.657 ( -0.791 9.835 0.000) 9.867 27.873 ( 1.315 -11.556 0.000) 11.631 ======================= Grid point 31 (20/60) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 0.000 4.082 0.000) 4.082 1.812 ( 0.000 8.544 0.000) 8.544 1.851 ( 0.000 -0.301 0.000) 0.301 1.968 ( 0.000 -6.752 0.000) 6.752 2.167 ( 0.000 3.337 0.000) 3.337 2.208 ( 0.000 -0.894 0.000) 0.894 2.422 ( -0.000 12.217 0.000) 12.217 2.505 ( 0.000 4.686 0.000) 4.686 2.566 ( -0.000 6.825 0.000) 6.825 2.589 ( 0.000 5.501 0.000) 5.501 2.850 ( 0.000 -1.872 0.000) 1.872 2.867 ( -0.000 -0.248 0.000) 0.248 2.932 ( 0.000 -2.112 0.000) 2.112 2.971 ( 0.000 -0.804 0.000) 0.804 3.008 ( -0.000 -9.489 0.000) 9.489 3.094 ( 0.000 -14.312 0.000) 14.312 3.154 ( -0.000 5.667 0.000) 5.667 3.273 ( 0.000 -5.883 0.000) 5.883 3.395 ( -0.000 8.007 0.000) 8.007 3.436 ( 0.000 4.665 0.000) 4.665 3.498 ( 0.000 0.523 0.000) 0.523 3.560 ( 0.000 -7.850 0.000) 7.850 3.882 ( 0.000 5.058 0.000) 5.058 3.966 ( -0.000 1.074 0.000) 1.074 3.995 ( 0.000 -2.069 0.000) 2.069 4.002 ( 0.000 -5.408 0.000) 5.408 4.159 ( -0.000 3.107 0.000) 3.107 4.164 ( 0.000 2.817 0.000) 2.817 4.295 ( 0.000 0.924 0.000) 0.924 4.340 ( 0.000 -2.957 0.000) 2.957 4.633 ( -0.000 0.159 0.000) 0.159 4.638 ( 0.000 0.046 0.000) 0.046 4.953 ( 0.000 11.374 0.000) 11.374 5.186 ( 0.000 -11.330 0.000) 11.330 5.289 ( -0.000 1.366 0.000) 1.366 5.305 ( 0.000 -0.897 0.000) 0.897 6.253 ( 0.000 3.661 0.000) 3.661 6.312 ( 0.000 -2.432 0.000) 2.432 6.547 ( 0.000 6.385 0.000) 6.385 6.697 ( 0.000 -7.280 0.000) 7.280 7.043 ( 0.000 0.796 0.000) 0.796 7.053 ( 0.000 -1.295 0.000) 1.295 7.170 ( 0.000 8.917 0.000) 8.917 7.242 ( 0.000 2.614 0.000) 2.614 7.283 ( 0.000 -2.718 0.000) 2.718 7.341 ( 0.000 -5.554 0.000) 5.554 7.466 ( 0.000 -1.569 0.000) 1.569 7.470 ( -0.000 -0.270 0.000) 0.270 7.865 ( 0.000 4.100 0.000) 4.100 7.970 ( 0.000 -7.314 0.000) 7.314 8.008 ( 0.000 3.734 0.000) 3.734 8.167 ( 0.000 -11.054 0.000) 11.054 8.736 ( 0.000 17.241 0.000) 17.241 8.907 ( 0.000 1.898 0.000) 1.898 8.970 ( 0.000 13.991 0.000) 13.991 9.185 ( 0.000 -5.178 0.000) 5.178 9.321 ( 0.000 -3.177 0.000) 3.177 9.472 ( 0.000 -19.440 0.000) 19.440 9.921 ( -0.000 -4.924 0.000) 4.924 9.938 ( 0.000 -8.721 0.000) 8.721 10.017 ( 0.000 3.498 0.000) 3.498 10.079 ( 0.000 -2.688 0.000) 2.688 10.312 ( -0.000 1.126 0.000) 1.126 10.325 ( 0.000 -0.386 0.000) 0.386 11.933 ( 0.000 7.279 0.000) 7.279 12.068 ( 0.000 -5.833 0.000) 5.833 12.293 ( 0.000 15.224 0.000) 15.224 12.603 ( 0.000 -15.182 0.000) 15.182 13.097 ( 0.000 14.708 0.000) 14.708 13.362 ( 0.000 -11.427 0.000) 11.427 13.790 ( 0.000 17.163 0.000) 17.163 14.108 ( 0.000 -14.063 0.000) 14.063 14.895 ( 0.000 2.554 0.000) 2.554 14.960 ( -0.000 -3.633 0.000) 3.633 15.696 ( 0.000 13.998 0.000) 13.998 15.919 ( 0.000 -7.241 0.000) 7.241 15.991 ( 0.000 6.553 0.000) 6.553 16.131 ( 0.000 -7.219 0.000) 7.219 16.385 ( 0.000 -1.906 0.000) 1.906 16.387 ( 0.000 -1.702 0.000) 1.702 23.799 ( 0.000 1.947 0.000) 1.947 23.845 ( 0.000 -2.435 0.000) 2.435 23.958 ( 0.000 4.985 0.000) 4.985 24.047 ( 0.000 -3.748 0.000) 3.748 24.075 ( 0.000 0.797 0.000) 0.797 24.099 ( -0.000 -1.464 0.000) 1.464 24.651 ( 0.000 2.089 0.000) 2.089 24.676 ( -0.000 -0.197 0.000) 0.197 26.396 ( 0.000 2.231 0.000) 2.231 26.463 ( 0.000 -4.546 0.000) 4.546 26.622 ( 0.000 0.730 0.000) 0.730 26.670 ( 0.000 -3.872 0.000) 3.872 27.320 ( 0.000 7.444 0.000) 7.444 27.432 ( 0.000 -3.316 0.000) 3.316 27.648 ( 0.000 10.830 0.000) 10.830 27.886 ( 0.000 -12.718 0.000) 12.718 ======================= Grid point 63 (21/60) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( 0.000 0.000 26.888) 26.888 0.510 ( 0.000 0.000 28.039) 28.039 0.933 ( 0.000 0.000 47.439) 47.439 1.551 ( 0.000 0.000 -5.825) 5.825 1.652 ( 0.000 0.000 7.426) 7.426 1.675 ( 0.000 0.000 -0.730) 0.730 1.790 ( 0.000 0.000 0.638) 0.638 1.854 ( 0.000 0.000 -14.313) 14.313 2.126 ( 0.000 0.000 -10.473) 10.473 2.735 ( 0.000 0.000 14.142) 14.142 2.849 ( 0.000 0.000 -4.520) 4.520 2.961 ( 0.000 0.000 -5.674) 5.674 2.983 ( 0.000 0.000 2.314) 2.314 3.027 ( 0.000 0.000 -13.888) 13.888 3.050 ( 0.000 0.000 5.602) 5.602 3.090 ( 0.000 0.000 1.554) 1.554 3.103 ( 0.000 0.000 -2.672) 2.672 3.229 ( 0.000 0.000 -0.009) 0.009 3.283 ( 0.000 0.000 -4.981) 4.981 3.312 ( 0.000 0.000 -4.102) 4.102 3.394 ( 0.000 0.000 -1.879) 1.879 3.466 ( 0.000 0.000 4.193) 4.193 3.516 ( 0.000 0.000 14.141) 14.141 3.659 ( 0.000 0.000 -8.472) 8.472 3.711 ( 0.000 0.000 -1.930) 1.930 3.782 ( 0.000 0.000 10.397) 10.397 4.075 ( 0.000 0.000 4.487) 4.487 4.130 ( 0.000 0.000 -1.532) 1.532 4.192 ( 0.000 0.000 0.639) 0.639 4.229 ( 0.000 0.000 -2.889) 2.889 4.230 ( 0.000 0.000 -0.403) 0.403 4.255 ( 0.000 0.000 1.180) 1.180 4.289 ( 0.000 0.000 -0.783) 0.783 4.703 ( 0.000 0.000 -13.181) 13.181 4.747 ( 0.000 0.000 4.278) 4.278 5.083 ( 0.000 0.000 -5.443) 5.443 6.232 ( 0.000 0.000 2.592) 2.592 6.432 ( 0.000 0.000 -2.480) 2.480 6.503 ( 0.000 0.000 4.335) 4.335 6.700 ( 0.000 0.000 3.680) 3.680 6.761 ( 0.000 0.000 -3.047) 3.047 7.030 ( 0.000 0.000 -4.506) 4.506 7.067 ( 0.000 0.000 2.534) 2.534 7.241 ( 0.000 0.000 -1.863) 1.863 7.462 ( 0.000 0.000 1.104) 1.104 7.526 ( 0.000 0.000 -1.178) 1.178 7.893 ( 0.000 0.000 0.640) 0.640 7.910 ( 0.000 0.000 -0.067) 0.067 7.995 ( 0.000 0.000 6.599) 6.599 8.007 ( 0.000 0.000 3.566) 3.566 8.128 ( 0.000 0.000 4.246) 4.246 8.258 ( 0.000 0.000 -3.809) 3.809 8.521 ( 0.000 0.000 -3.996) 3.996 8.677 ( 0.000 0.000 -6.959) 6.959 8.913 ( 0.000 0.000 0.897) 0.897 8.951 ( 0.000 0.000 0.310) 0.310 9.377 ( 0.000 0.000 4.449) 4.449 9.816 ( 0.000 0.000 -7.166) 7.166 10.270 ( 0.000 0.000 0.225) 0.225 10.297 ( 0.000 0.000 -0.297) 0.297 10.515 ( 0.000 0.000 7.142) 7.142 10.574 ( 0.000 0.000 1.636) 1.636 10.671 ( 0.000 0.000 -0.825) 0.825 10.852 ( 0.000 0.000 -2.428) 2.428 12.346 ( 0.000 0.000 0.701) 0.701 12.416 ( 0.000 0.000 -1.078) 1.078 12.507 ( 0.000 0.000 2.054) 2.054 12.660 ( 0.000 0.000 6.245) 6.245 12.669 ( 0.000 0.000 -2.026) 2.026 13.140 ( 0.000 0.000 -5.866) 5.866 14.199 ( 0.000 0.000 4.924) 4.924 14.704 ( 0.000 0.000 -7.974) 7.974 14.848 ( 0.000 0.000 2.924) 2.924 15.148 ( 0.000 0.000 -6.595) 6.595 15.534 ( 0.000 0.000 0.759) 0.759 15.632 ( 0.000 0.000 -1.926) 1.926 15.851 ( 0.000 0.000 0.951) 0.951 15.862 ( 0.000 0.000 0.452) 0.452 15.943 ( 0.000 0.000 10.970) 10.970 16.501 ( 0.000 0.000 -5.262) 5.262 23.767 ( 0.000 0.000 2.755) 2.755 23.959 ( 0.000 0.000 -0.020) 0.020 24.003 ( 0.000 0.000 -4.008) 4.008 24.054 ( 0.000 0.000 -3.311) 3.311 24.212 ( 0.000 0.000 6.245) 6.245 24.430 ( 0.000 0.000 4.552) 4.552 24.618 ( 0.000 0.000 -1.094) 1.094 24.627 ( 0.000 0.000 -5.067) 5.067 26.670 ( 0.000 0.000 2.654) 2.654 26.898 ( 0.000 0.000 1.441) 1.441 26.912 ( 0.000 0.000 -3.680) 3.680 26.934 ( 0.000 0.000 0.712) 0.712 27.011 ( 0.000 0.000 -0.992) 0.992 27.015 ( 0.000 0.000 -0.871) 0.871 27.539 ( 0.000 0.000 3.804) 3.804 27.796 ( 0.000 0.000 -2.944) 2.944 ======================= Grid point 64 (22/60) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 19.921 0.000 17.118) 26.266 0.793 ( 18.332 0.000 18.765) 26.234 1.407 ( 29.315 0.000 20.653) 35.860 1.434 ( 2.799 0.000 16.154) 16.395 1.534 ( -8.012 0.000 -4.223) 9.057 1.682 ( 3.922 0.000 4.955) 6.319 1.810 ( 3.666 0.000 0.612) 3.717 2.017 ( 8.238 0.000 -4.283) 9.285 2.174 ( 5.851 0.000 -13.452) 14.669 2.768 ( 0.435 0.000 6.447) 6.461 2.843 ( 0.337 0.000 -0.242) 0.415 2.966 ( -1.874 0.000 -5.871) 6.163 2.995 ( 1.505 0.000 3.053) 3.403 3.044 ( -0.133 0.000 3.690) 3.693 3.053 ( -3.710 0.000 0.919) 3.822 3.080 ( 1.386 0.000 -0.342) 1.428 3.136 ( 8.820 0.000 -10.617) 13.803 3.202 ( -5.169 0.000 2.834) 5.895 3.328 ( 6.655 0.000 -1.327) 6.786 3.365 ( 2.665 0.000 -1.314) 2.972 3.412 ( 1.300 0.000 -2.754) 3.045 3.490 ( -0.488 0.000 8.149) 8.163 3.536 ( 7.155 0.000 1.028) 7.229 3.699 ( 3.381 0.000 -5.902) 6.802 3.750 ( -5.076 0.000 12.156) 13.173 3.792 ( 1.845 0.000 6.088) 6.361 3.892 ( 15.496 0.000 -1.417) 15.561 4.039 ( -2.930 0.000 4.497) 5.367 4.205 ( 1.494 0.000 1.846) 2.375 4.213 ( -0.400 0.000 -1.041) 1.115 4.269 ( 1.201 0.000 2.591) 2.856 4.277 ( 4.162 0.000 -3.891) 5.697 4.588 ( 6.246 0.000 -10.324) 12.067 4.712 ( 2.469 0.000 -8.539) 8.888 4.779 ( 3.143 0.000 0.772) 3.236 5.100 ( 1.907 0.000 -5.716) 6.026 6.178 ( -3.756 0.000 3.733) 5.296 6.412 ( -1.744 0.000 -2.714) 3.226 6.498 ( -0.663 0.000 4.599) 4.646 6.694 ( -0.696 0.000 3.375) 3.446 6.760 ( -0.175 0.000 -3.060) 3.065 7.014 ( -1.514 0.000 -4.321) 4.578 7.098 ( 2.870 0.000 2.176) 3.602 7.242 ( 0.237 0.000 -1.484) 1.502 7.388 ( -6.912 0.000 11.076) 13.056 7.525 ( 4.663 0.000 -1.287) 4.837 7.734 ( -1.199 0.000 2.387) 2.672 7.840 ( -4.485 0.000 -0.141) 4.487 7.931 ( -4.069 0.000 4.413) 6.002 7.980 ( -1.153 0.000 9.490) 9.560 8.237 ( 7.428 0.000 3.658) 8.280 8.252 ( -0.761 0.000 -3.252) 3.340 8.738 ( 5.262 0.000 -6.750) 8.558 8.871 ( -1.245 0.000 -2.519) 2.810 8.917 ( -3.146 0.000 0.715) 3.227 9.107 ( 15.618 0.000 -29.495) 33.374 9.396 ( 1.822 0.000 4.277) 4.649 9.807 ( -0.299 0.000 -6.463) 6.470 10.258 ( -0.634 0.000 -0.465) 0.786 10.269 ( -2.547 0.000 -0.115) 2.549 10.448 ( -6.428 0.000 6.566) 9.189 10.564 ( -0.618 0.000 3.401) 3.457 10.697 ( 2.003 0.000 -1.181) 2.325 10.770 ( -7.695 0.000 -2.198) 8.003 11.937 ( -17.940 0.000 18.145) 25.517 12.239 ( -11.405 0.000 -1.794) 11.545 12.528 ( -2.139 0.000 6.873) 7.198 12.586 ( -6.360 0.000 5.686) 8.531 12.834 ( 10.166 0.000 -2.659) 10.508 13.057 ( -5.073 0.000 -7.983) 9.459 14.114 ( -7.480 0.000 5.400) 9.225 14.695 ( -4.697 0.000 -10.965) 11.928 14.901 ( 5.042 0.000 3.954) 6.408 15.029 ( -6.047 0.000 8.126) 10.129 15.467 ( -6.375 0.000 0.608) 6.404 15.690 ( 3.285 0.000 -10.809) 11.297 15.976 ( 10.029 0.000 0.358) 10.035 15.981 ( 1.624 0.000 8.547) 8.700 15.991 ( 11.477 0.000 0.211) 11.479 16.501 ( -0.059 0.000 -5.083) 5.084 23.767 ( -0.020 0.000 2.729) 2.729 23.922 ( -7.696 0.000 9.370) 12.126 23.959 ( 0.014 0.000 -0.066) 0.068 24.009 ( -1.677 0.000 -4.203) 4.526 24.185 ( -2.116 0.000 7.075) 7.385 24.246 ( -2.066 0.000 8.069) 8.329 24.531 ( -4.433 0.000 -2.416) 5.049 24.685 ( 1.528 0.000 -4.549) 4.798 26.579 ( -5.982 0.000 1.791) 6.245 26.738 ( -3.767 0.000 -3.695) 5.276 26.919 ( -1.773 0.000 0.974) 2.022 26.994 ( -0.956 0.000 -0.915) 1.324 27.031 ( 8.755 0.000 3.292) 9.354 27.049 ( -1.308 0.000 8.385) 8.486 27.703 ( -8.430 0.000 -2.150) 8.700 28.007 ( 19.259 0.000 -24.419) 31.100 ======================= Grid point 65 (23/60) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 13.470 0.000 6.885) 15.128 1.187 ( 23.215 0.000 8.798) 24.826 1.380 ( 4.499 0.000 15.089) 15.746 1.409 ( -4.360 0.000 -2.758) 5.159 1.734 ( 4.769 0.000 2.045) 5.189 1.917 ( 6.481 0.000 1.551) 6.664 2.105 ( 2.234 0.000 -2.282) 3.194 2.272 ( 38.459 0.000 13.515) 40.765 2.349 ( 9.218 0.000 -9.268) 13.072 2.696 ( -6.167 0.000 -2.019) 6.489 2.843 ( -9.825 0.000 1.797) 9.988 2.866 ( -10.811 0.000 4.315) 11.640 2.871 ( 0.869 0.000 -0.693) 1.111 3.024 ( 1.558 0.000 2.941) 3.328 3.084 ( -0.550 0.000 2.855) 2.908 3.102 ( 2.390 0.000 1.942) 3.080 3.204 ( 4.751 0.000 -2.262) 5.262 3.294 ( -3.077 0.000 4.065) 5.098 3.416 ( 2.602 0.000 -1.563) 3.035 3.438 ( 2.271 0.000 -0.025) 2.271 3.457 ( 12.137 0.000 -6.575) 13.804 3.600 ( 6.827 0.000 -0.810) 6.875 3.715 ( 7.304 0.000 -5.126) 8.923 3.773 ( 5.703 0.000 5.503) 7.925 3.792 ( 5.978 0.000 -5.118) 7.870 3.855 ( 5.006 0.000 0.945) 5.095 4.004 ( 1.915 0.000 3.807) 4.262 4.085 ( 0.834 0.000 -2.516) 2.651 4.230 ( 0.758 0.000 2.308) 2.429 4.271 ( 1.351 0.000 4.164) 4.378 4.355 ( 9.390 0.000 3.181) 9.914 4.414 ( 9.293 0.000 -2.687) 9.673 4.679 ( 7.393 0.000 -7.184) 10.308 4.781 ( 2.611 0.000 1.156) 2.856 4.945 ( 14.575 0.000 -7.122) 16.222 5.171 ( 5.385 0.000 -6.562) 8.489 6.117 ( -1.908 0.000 3.880) 4.324 6.373 ( -1.804 0.000 -2.900) 3.415 6.474 ( -1.686 0.000 5.111) 5.382 6.670 ( -1.689 0.000 2.859) 3.321 6.750 ( -0.859 0.000 -3.047) 3.166 6.972 ( -2.502 0.000 -4.114) 4.815 7.172 ( 4.201 0.000 1.296) 4.396 7.255 ( 0.957 0.000 -0.821) 1.261 7.299 ( -2.548 0.000 7.983) 8.379 7.558 ( -2.470 0.000 -5.773) 6.280 7.749 ( 1.198 0.000 -0.849) 1.468 7.779 ( -0.623 0.000 0.514) 0.808 7.883 ( -0.658 0.000 5.325) 5.366 7.947 ( -2.517 0.000 13.880) 14.106 8.223 ( -1.969 0.000 -3.729) 4.217 8.381 ( 6.451 0.000 3.833) 7.504 8.789 ( -4.023 0.000 -1.054) 4.159 8.812 ( -3.955 0.000 -1.104) 4.107 8.904 ( 5.529 0.000 -4.075) 6.868 9.113 ( -10.716 0.000 -18.116) 21.048 9.437 ( 2.279 0.000 4.820) 5.331 9.826 ( 2.395 0.000 -5.598) 6.089 10.202 ( -4.342 0.000 1.215) 4.509 10.260 ( 0.639 0.000 -2.743) 2.816 10.275 ( -9.491 0.000 4.524) 10.514 10.533 ( -6.216 0.000 -0.771) 6.263 10.602 ( -4.275 0.000 2.546) 4.976 10.722 ( -0.034 0.000 -1.021) 1.021 11.754 ( -2.922 0.000 9.661) 10.093 12.046 ( -7.242 0.000 -2.558) 7.681 12.440 ( -7.227 0.000 5.504) 9.084 12.457 ( -4.281 0.000 8.262) 9.305 12.941 ( -6.537 0.000 -7.656) 10.068 13.005 ( 6.470 0.000 -5.360) 8.402 13.949 ( -7.838 0.000 6.014) 9.879 14.559 ( -6.809 0.000 -10.822) 12.786 14.947 ( -2.764 0.000 7.504) 7.997 15.023 ( 6.195 0.000 5.506) 8.288 15.304 ( -8.936 0.000 0.905) 8.982 15.749 ( 2.446 0.000 -7.481) 7.871 15.993 ( 0.139 0.000 7.457) 7.458 16.199 ( 10.839 0.000 0.368) 10.845 16.235 ( 11.321 0.000 -0.582) 11.336 16.496 ( -0.527 0.000 -4.883) 4.911 23.767 ( 0.028 0.000 2.476) 2.476 23.826 ( -2.327 0.000 9.991) 10.258 23.960 ( 0.064 0.000 0.228) 0.237 23.987 ( -0.645 0.000 -4.608) 4.653 24.169 ( -0.235 0.000 1.187) 1.210 24.239 ( 0.224 0.000 6.330) 6.334 24.459 ( -2.367 0.000 -2.719) 3.605 24.676 ( -2.384 0.000 -5.811) 6.281 26.475 ( -4.144 0.000 2.036) 4.617 26.694 ( -1.530 0.000 -5.858) 6.055 26.866 ( -3.108 0.000 1.696) 3.541 26.948 ( -2.850 0.000 -0.967) 3.009 27.021 ( -1.063 0.000 7.630) 7.704 27.212 ( 7.697 0.000 3.963) 8.658 27.512 ( -9.066 0.000 0.878) 9.109 28.253 ( 7.791 0.000 -17.977) 19.593 ======================= Grid point 66 (24/60) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 0.298 0.000 3.879) 3.891 1.353 ( -1.434 0.000 -1.341) 1.963 1.641 ( 20.971 0.000 3.872) 21.326 1.652 ( 16.453 0.000 10.586) 19.564 1.828 ( 4.330 0.000 1.621) 4.623 2.056 ( 7.169 0.000 4.227) 8.322 2.138 ( 0.941 0.000 -1.261) 1.574 2.454 ( -4.529 0.000 1.273) 4.704 2.550 ( -15.211 0.000 10.236) 18.335 2.592 ( 1.599 0.000 -9.860) 9.989 2.673 ( -5.793 0.000 -2.002) 6.129 2.862 ( -1.826 0.000 -3.341) 3.807 2.952 ( 22.387 0.000 5.582) 23.072 3.053 ( 0.513 0.000 3.808) 3.842 3.068 ( -0.140 0.000 2.340) 2.345 3.126 ( 0.502 0.000 6.062) 6.083 3.182 ( -5.628 0.000 7.304) 9.221 3.318 ( 5.112 0.000 -10.266) 11.468 3.451 ( 0.802 0.000 -2.536) 2.659 3.483 ( 1.043 0.000 0.505) 1.159 3.628 ( 4.887 0.000 -6.090) 7.808 3.705 ( 4.909 0.000 3.632) 6.106 3.737 ( -1.796 0.000 -5.331) 5.626 3.847 ( -0.422 0.000 1.076) 1.156 3.879 ( 1.634 0.000 0.364) 1.675 3.988 ( 5.970 0.000 -1.446) 6.143 4.124 ( 5.223 0.000 -0.777) 5.281 4.215 ( 3.212 0.000 0.350) 3.231 4.269 ( 13.369 0.000 -2.045) 13.525 4.273 ( -0.832 0.000 6.032) 6.089 4.383 ( -4.136 0.000 4.287) 5.957 4.604 ( 8.202 0.000 -1.603) 8.357 4.817 ( 1.128 0.000 2.523) 2.764 4.941 ( 14.318 0.000 -5.056) 15.184 5.270 ( 14.489 0.000 -8.659) 16.879 5.292 ( 4.821 0.000 -7.115) 8.594 6.103 ( 0.229 0.000 3.814) 3.820 6.346 ( -0.818 0.000 -2.590) 2.716 6.439 ( -1.492 0.000 5.408) 5.610 6.633 ( -1.724 0.000 2.640) 3.153 6.727 ( -1.217 0.000 -2.805) 3.057 6.926 ( -1.758 0.000 -4.305) 4.650 7.233 ( -1.939 0.000 3.226) 3.764 7.258 ( 4.250 0.000 0.386) 4.267 7.344 ( 6.135 0.000 2.239) 6.530 7.490 ( -2.185 0.000 -3.395) 4.037 7.737 ( -6.053 0.000 3.740) 7.115 7.762 ( 0.040 0.000 -1.041) 1.042 7.885 ( -0.052 0.000 4.434) 4.435 7.886 ( -2.083 0.000 8.926) 9.166 8.192 ( -0.755 0.000 -4.473) 4.536 8.485 ( 3.727 0.000 4.255) 5.656 8.689 ( -4.236 0.000 1.386) 4.457 8.709 ( -7.405 0.000 -4.700) 8.771 8.840 ( -11.546 0.000 -7.184) 13.599 9.031 ( 5.460 0.000 -6.160) 8.231 9.482 ( 1.868 0.000 5.322) 5.640 9.890 ( 3.312 0.000 -5.300) 6.250 10.043 ( -8.677 0.000 4.978) 10.004 10.171 ( -2.164 0.000 0.312) 2.186 10.272 ( 0.470 0.000 -3.458) 3.490 10.353 ( -7.764 0.000 -3.409) 8.479 10.597 ( 0.786 0.000 3.980) 4.056 10.697 ( -1.921 0.000 0.269) 1.940 11.742 ( 0.644 0.000 3.912) 3.965 11.949 ( -2.724 0.000 -2.743) 3.866 12.323 ( -3.986 0.000 5.466) 6.765 12.378 ( -3.028 0.000 9.757) 10.216 12.813 ( -5.413 0.000 -6.757) 8.658 13.094 ( 2.522 0.000 -8.153) 8.534 13.825 ( -4.285 0.000 6.280) 7.603 14.457 ( -3.165 0.000 -11.275) 11.711 14.905 ( -1.417 0.000 4.529) 4.746 15.090 ( -2.319 0.000 -0.040) 2.320 15.179 ( -0.298 0.000 8.309) 8.314 15.783 ( 0.982 0.000 -2.477) 2.665 15.996 ( 0.194 0.000 4.828) 4.832 16.376 ( 6.274 0.000 0.382) 6.286 16.416 ( 6.332 0.000 -0.691) 6.370 16.483 ( -0.603 0.000 -4.858) 4.896 23.768 ( 0.046 0.000 1.870) 1.870 23.800 ( -0.588 0.000 8.542) 8.563 23.961 ( 0.053 0.000 1.127) 1.129 23.982 ( 0.078 0.000 -5.506) 5.507 24.163 ( -0.319 0.000 -0.814) 0.874 24.245 ( 0.248 0.000 6.532) 6.536 24.444 ( 0.954 0.000 -3.965) 4.078 24.599 ( -4.798 0.000 -5.546) 7.334 26.413 ( -2.048 0.000 2.711) 3.398 26.664 ( -1.369 0.000 -5.367) 5.539 26.813 ( -1.794 0.000 1.417) 2.286 26.892 ( -2.357 0.000 -0.949) 2.541 27.008 ( -0.354 0.000 5.990) 6.001 27.286 ( -1.277 0.000 -2.060) 2.424 27.413 ( 0.480 0.000 9.536) 9.548 28.364 ( 3.572 0.000 -14.878) 15.301 ======================= Grid point 67 (25/60) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 0.000 0.000 4.235) 4.235 1.340 ( 0.000 0.000 -0.955) 0.955 1.830 ( 0.000 0.000 7.297) 7.297 1.914 ( -0.000 0.000 -3.046) 3.046 1.928 ( 0.000 0.000 -0.134) 0.134 2.134 ( 0.000 0.000 1.546) 1.546 2.189 ( 0.000 0.000 7.635) 7.635 2.298 ( 0.000 0.000 14.762) 14.762 2.315 ( 0.000 0.000 2.402) 2.402 2.595 ( 0.000 0.000 -2.521) 2.521 2.664 ( -0.000 0.000 -10.236) 10.236 2.822 ( 0.000 0.000 -3.902) 3.902 3.044 ( 0.000 0.000 -0.363) 0.363 3.093 ( -0.000 0.000 9.714) 9.714 3.106 ( 0.000 0.000 5.250) 5.250 3.130 ( 0.000 0.000 6.205) 6.205 3.205 ( 0.000 0.000 -0.893) 0.893 3.381 ( 0.000 0.000 -9.864) 9.864 3.445 ( 0.000 0.000 -3.603) 3.603 3.484 ( 0.000 0.000 -0.722) 0.722 3.692 ( 0.000 0.000 -4.666) 4.666 3.697 ( 0.000 0.000 -6.596) 6.596 3.762 ( 0.000 0.000 7.931) 7.931 3.839 ( 0.000 0.000 1.306) 1.306 3.892 ( 0.000 0.000 -0.320) 0.320 4.058 ( 0.000 0.000 -2.071) 2.071 4.208 ( 0.000 0.000 2.754) 2.754 4.221 ( 0.000 0.000 2.727) 2.727 4.235 ( -0.000 0.000 0.563) 0.563 4.318 ( 0.000 0.000 8.528) 8.528 4.463 ( 0.000 0.000 -4.161) 4.161 4.689 ( 0.000 0.000 -4.074) 4.074 4.831 ( 0.000 0.000 4.839) 4.839 5.122 ( 0.000 0.000 -4.793) 4.793 5.323 ( -0.000 0.000 -6.924) 6.924 5.428 ( 0.000 0.000 -10.154) 10.154 6.109 ( 0.000 0.000 3.680) 3.680 6.339 ( 0.000 0.000 -2.290) 2.290 6.423 ( 0.000 0.000 5.502) 5.502 6.613 ( 0.000 0.000 2.647) 2.647 6.712 ( 0.000 0.000 -2.609) 2.609 6.908 ( 0.000 0.000 -4.538) 4.538 7.212 ( 0.000 0.000 2.794) 2.794 7.311 ( 0.000 0.000 -1.265) 1.265 7.447 ( 0.000 0.000 2.551) 2.551 7.508 ( 0.000 0.000 1.080) 1.080 7.601 ( 0.000 0.000 6.651) 6.651 7.756 ( 0.000 0.000 -1.232) 1.232 7.871 ( 0.000 0.000 3.574) 3.574 7.872 ( 0.000 0.000 2.494) 2.494 8.187 ( 0.000 0.000 -3.799) 3.799 8.532 ( -0.000 0.000 6.400) 6.400 8.573 ( 0.000 0.000 -11.491) 11.491 8.645 ( 0.000 0.000 1.870) 1.870 8.745 ( -0.000 0.000 -0.192) 0.192 9.090 ( 0.000 0.000 -6.637) 6.637 9.502 ( 0.000 0.000 5.510) 5.510 9.928 ( 0.000 0.000 -3.298) 3.298 9.948 ( 0.000 0.000 2.796) 2.796 10.150 ( 0.000 0.000 0.342) 0.342 10.267 ( 0.000 0.000 -3.365) 3.365 10.281 ( 0.000 0.000 -3.738) 3.738 10.607 ( 0.000 0.000 3.421) 3.421 10.672 ( 0.000 0.000 1.187) 1.187 11.752 ( 0.000 0.000 2.095) 2.095 11.924 ( 0.000 0.000 -2.743) 2.743 12.284 ( 0.000 0.000 5.518) 5.518 12.347 ( 0.000 0.000 11.145) 11.145 12.753 ( 0.000 0.000 -6.951) 6.951 13.117 ( 0.000 0.000 -9.444) 9.444 13.781 ( 0.000 0.000 6.360) 6.360 14.427 ( 0.000 0.000 -11.533) 11.533 14.891 ( 0.000 0.000 3.402) 3.402 15.041 ( 0.000 0.000 -0.856) 0.856 15.198 ( 0.000 0.000 9.965) 9.965 15.792 ( 0.000 0.000 -0.357) 0.357 15.999 ( 0.000 0.000 3.517) 3.517 16.441 ( 0.000 0.000 0.390) 0.390 16.476 ( 0.000 0.000 -4.882) 4.882 16.481 ( 0.000 0.000 -0.708) 0.708 23.768 ( 0.000 0.000 1.493) 1.493 23.795 ( 0.000 0.000 8.125) 8.125 23.962 ( 0.000 0.000 1.673) 1.673 23.984 ( 0.000 0.000 -6.048) 6.048 24.159 ( 0.000 0.000 -1.240) 1.240 24.247 ( 0.000 0.000 6.704) 6.704 24.483 ( 0.000 0.000 -7.488) 7.488 24.518 ( 0.000 0.000 -2.227) 2.227 26.393 ( 0.000 0.000 2.999) 2.999 26.648 ( 0.000 0.000 -4.719) 4.719 26.796 ( 0.000 0.000 0.843) 0.843 26.866 ( 0.000 0.000 -0.932) 0.932 27.004 ( 0.000 0.000 5.427) 5.427 27.258 ( 0.000 0.000 -2.152) 2.152 27.434 ( 0.000 0.000 10.503) 10.503 28.400 ( 0.000 0.000 -14.143) 14.143 ======================= Grid point 72 (26/60) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 0.000 21.547 17.811) 27.955 0.830 ( 0.000 20.014 20.333) 28.531 1.272 ( 0.000 27.793 21.384) 35.067 1.575 ( 0.000 15.980 6.759) 17.351 1.658 ( 0.000 0.644 6.245) 6.279 1.874 ( 0.000 9.860 1.687) 10.003 1.913 ( 0.000 5.469 -12.359) 13.515 1.989 ( 0.000 13.465 -11.901) 17.970 2.126 ( 0.000 0.201 -12.020) 12.022 2.746 ( 0.000 0.917 13.322) 13.354 2.783 ( 0.000 -5.206 -5.089) 7.280 2.887 ( 0.000 -4.801 -6.752) 8.285 2.943 ( 0.000 -3.849 2.087) 4.379 2.995 ( 0.000 -3.948 3.506) 5.280 3.055 ( 0.000 -4.315 -1.435) 4.547 3.068 ( 0.000 -1.177 -4.962) 5.099 3.114 ( 0.000 0.704 3.006) 3.087 3.165 ( 0.000 -4.687 0.124) 4.689 3.296 ( 0.000 1.080 -4.737) 4.858 3.301 ( 0.000 -0.899 -4.923) 5.004 3.390 ( 0.000 -0.319 -1.136) 1.180 3.416 ( 0.000 -3.523 6.404) 7.309 3.522 ( 0.000 -1.933 14.415) 14.544 3.632 ( 0.000 -2.552 -7.056) 7.503 3.701 ( 0.000 -1.642 -0.915) 1.880 3.717 ( 0.000 -3.419 9.541) 10.135 3.880 ( 0.000 -3.306 7.166) 7.892 4.017 ( 0.000 -4.956 3.736) 6.206 4.164 ( 0.000 -1.852 -0.156) 1.858 4.269 ( 0.000 3.287 -0.457) 3.318 4.271 ( 0.000 2.305 -2.500) 3.400 4.285 ( 0.000 2.764 0.959) 2.926 4.331 ( 0.000 2.707 -0.436) 2.742 4.675 ( 0.000 -2.354 -12.013) 12.242 4.722 ( 0.000 -2.569 4.185) 4.911 5.011 ( 0.000 -6.796 -4.257) 8.020 6.318 ( 0.000 8.500 5.444) 10.094 6.524 ( 0.000 2.060 3.953) 4.458 6.743 ( 0.000 4.025 3.556) 5.371 6.791 ( 0.000 2.718 -3.133) 4.147 6.821 ( 0.000 16.846 -15.787) 23.087 7.059 ( 0.000 2.786 -4.137) 4.988 7.093 ( 0.000 3.303 1.432) 3.600 7.248 ( 0.000 0.667 -1.775) 1.896 7.386 ( 0.000 -6.020 1.340) 6.167 7.485 ( 0.000 -3.395 -1.338) 3.649 7.770 ( 0.000 -15.887 16.946) 23.228 7.895 ( 0.000 0.495 0.902) 1.029 7.922 ( 0.000 1.203 -0.023) 1.203 8.123 ( 0.000 10.146 2.409) 10.428 8.126 ( 0.000 -0.674 4.143) 4.197 8.338 ( 0.000 7.389 -3.860) 8.337 8.356 ( 0.000 -9.741 -9.148) 13.364 8.552 ( 0.000 -15.258 -4.381) 15.875 8.895 ( 0.000 -3.214 -0.387) 3.237 8.947 ( 0.000 2.192 -3.241) 3.913 9.374 ( 0.000 -0.283 4.654) 4.663 9.828 ( 0.000 1.127 -7.396) 7.481 10.256 ( 0.000 -7.030 2.477) 7.454 10.311 ( 0.000 0.873 0.336) 0.936 10.465 ( 0.000 -5.094 2.906) 5.865 10.491 ( 0.000 -2.167 7.181) 7.501 10.609 ( 0.000 -5.962 -1.231) 6.087 10.811 ( 0.000 -3.826 -2.115) 4.372 11.875 ( 0.000 -9.344 19.824) 21.916 12.480 ( 0.000 -2.665 2.421) 3.600 12.643 ( 0.000 3.043 -12.360) 12.729 12.676 ( 0.000 0.601 -2.499) 2.570 12.906 ( 0.000 11.706 3.123) 12.115 13.356 ( 0.000 18.115 -8.340) 19.943 14.139 ( 0.000 -5.812 5.063) 7.708 14.661 ( 0.000 -4.198 -8.919) 9.858 14.862 ( 0.000 1.099 3.529) 3.696 15.156 ( 0.000 0.924 -5.736) 5.810 15.161 ( 0.000 -18.562 18.578) 26.262 15.559 ( 0.000 -3.858 -2.783) 4.757 15.858 ( 0.000 -0.408 1.232) 1.298 15.889 ( 0.000 4.076 0.167) 4.079 15.938 ( 0.000 -0.575 10.390) 10.405 16.483 ( 0.000 -1.835 -5.234) 5.546 23.772 ( 0.000 0.468 2.624) 2.665 23.923 ( 0.000 -3.399 5.638) 6.584 23.958 ( 0.000 -2.248 1.885) 2.934 23.996 ( 0.000 -0.625 -3.871) 3.921 24.179 ( 0.000 -2.775 12.785) 13.082 24.208 ( 0.000 -0.402 6.535) 6.548 24.646 ( 0.000 1.852 -5.367) 5.677 25.027 ( 0.000 9.326 -20.437) 22.464 26.654 ( 0.000 -1.862 3.035) 3.561 26.762 ( 0.000 -6.899 1.192) 7.002 26.849 ( 0.000 -6.394 -1.075) 6.484 26.882 ( 0.000 -2.362 -3.035) 3.846 27.076 ( 0.000 7.134 1.875) 7.377 27.172 ( 0.000 -9.368 20.775) 22.790 27.215 ( 0.000 10.487 -1.663) 10.618 27.930 ( 0.000 -1.093 -11.130) 11.183 ======================= Grid point 73 (27/60) ======================= q-point: ( 0.12 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 12.824 16.061 11.724) 23.662 0.984 ( 13.919 16.322 16.619) 27.136 1.479 ( 1.423 11.572 3.224) 12.097 1.670 ( 12.047 11.750 10.260) 19.710 1.711 ( 16.495 10.075 8.480) 21.107 1.769 ( -8.908 13.670 -1.369) 16.373 1.909 ( 4.934 11.175 1.935) 12.368 2.056 ( 3.180 2.143 -4.186) 5.677 2.236 ( 9.955 7.004 -14.281) 18.765 2.756 ( -0.187 -2.675 1.364) 3.008 2.789 ( -1.181 -2.634 -0.672) 2.964 2.915 ( 2.512 -3.603 -1.658) 4.695 2.950 ( 1.104 -4.253 2.171) 4.902 2.969 ( -1.619 -5.689 1.579) 6.122 3.030 ( -0.191 -1.774 1.701) 2.465 3.130 ( 0.991 2.253 4.218) 4.884 3.157 ( 6.061 -0.919 -2.418) 6.590 3.213 ( -3.449 1.198 0.819) 3.742 3.269 ( 6.346 -4.555 -2.283) 8.138 3.339 ( 2.213 -1.997 -1.269) 3.239 3.433 ( 4.387 0.914 -1.887) 4.862 3.470 ( 1.891 -1.322 5.885) 6.321 3.518 ( 4.483 -1.408 2.347) 5.252 3.621 ( -0.986 -4.764 -1.981) 5.253 3.767 ( 6.456 0.041 4.992) 8.161 3.802 ( -0.461 -0.578 2.285) 2.402 3.847 ( 10.502 -0.607 1.377) 10.610 4.047 ( 2.013 -0.806 3.091) 3.776 4.183 ( 0.389 -0.772 -0.976) 1.304 4.234 ( -0.461 0.268 -3.250) 3.294 4.267 ( 1.613 3.137 0.509) 3.564 4.327 ( 4.287 2.777 2.246) 5.580 4.493 ( 6.869 -4.512 -4.122) 9.194 4.701 ( 3.931 -1.380 -7.538) 8.613 4.764 ( 3.689 -2.006 0.389) 4.217 5.035 ( 2.519 -6.199 -4.569) 8.103 6.254 ( -5.025 6.844 4.957) 9.832 6.515 ( -0.993 1.611 4.162) 4.572 6.663 ( -10.898 15.393 -8.857) 20.837 6.755 ( 0.200 5.822 3.285) 6.687 6.791 ( -0.471 2.982 -3.504) 4.625 7.049 ( -0.693 3.076 -3.564) 4.759 7.109 ( 1.798 1.456 2.089) 3.117 7.250 ( 0.403 0.626 -1.640) 1.801 7.362 ( -5.420 -2.575 9.059) 10.867 7.427 ( 2.703 -6.861 0.287) 7.380 7.708 ( -0.787 -4.042 3.361) 5.315 7.805 ( -7.379 -2.058 -0.653) 7.689 7.936 ( -0.116 -2.046 6.009) 6.349 8.074 ( -0.193 9.591 4.604) 10.640 8.232 ( 5.019 0.208 1.963) 5.393 8.284 ( 0.432 2.342 -2.891) 3.745 8.580 ( 3.811 -11.323 -4.932) 12.925 8.767 ( 13.906 -21.921 -13.563) 29.290 8.866 ( -2.733 -2.894 0.448) 4.006 8.962 ( 1.700 3.063 -6.040) 6.982 9.396 ( 2.030 -0.012 4.780) 5.193 9.842 ( 1.530 1.727 -7.831) 8.164 10.235 ( -2.239 -6.147 2.373) 6.959 10.298 ( -1.253 2.030 -1.123) 2.636 10.426 ( -5.924 -2.592 5.881) 8.740 10.458 ( -0.797 -6.035 3.846) 7.201 10.623 ( 1.157 -7.518 -1.541) 7.761 10.733 ( -7.364 -3.427 -1.947) 8.352 11.812 ( -4.466 -3.353 15.590) 16.560 12.336 ( -15.977 4.620 -5.970) 17.671 12.503 ( -4.011 -2.132 4.511) 6.401 12.746 ( -2.439 9.803 4.324) 10.989 12.797 ( -0.252 2.302 -0.347) 2.342 13.313 ( -3.731 17.704 -9.675) 20.517 14.058 ( -7.209 -5.480 5.616) 10.656 14.638 ( -4.861 -5.447 -10.884) 13.105 14.913 ( 4.806 0.902 4.584) 6.703 15.000 ( -4.278 -2.728 9.738) 10.981 15.426 ( 5.559 -4.431 -1.969) 7.377 15.573 ( 4.774 -5.604 -6.800) 10.022 15.928 ( 3.255 -1.944 6.862) 7.840 15.970 ( 7.304 -0.910 3.004) 7.950 16.001 ( 8.944 1.042 1.264) 9.093 16.484 ( 0.012 -1.832 -5.168) 5.484 23.771 ( -0.071 0.434 2.631) 2.667 23.892 ( -2.392 -0.385 8.406) 8.749 23.952 ( -0.237 -1.059 0.552) 1.218 23.991 ( -0.477 -0.795 -3.724) 3.838 24.168 ( -0.567 -1.029 7.054) 7.151 24.217 ( 0.575 -1.034 6.869) 6.970 24.617 ( -3.566 3.159 -4.956) 6.874 24.834 ( -10.008 10.034 -9.312) 16.958 26.567 ( -5.437 -1.093 2.008) 5.898 26.724 ( -3.169 -2.116 -2.697) 4.669 26.815 ( 0.594 -5.695 0.266) 5.732 26.953 ( -0.022 -3.706 -1.691) 4.074 27.084 ( -2.022 2.066 9.236) 9.678 27.142 ( 5.761 6.779 3.620) 9.604 27.514 ( 8.795 -8.773 -1.115) 12.473 27.958 ( 5.927 -4.441 -13.418) 15.327 ======================= Grid point 74 (28/60) ======================= q-point: ( 0.25 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 12.249 8.498 2.843) 15.177 1.326 ( 18.657 10.342 10.763) 23.893 1.450 ( -0.928 9.731 -1.535) 9.895 1.635 ( -1.534 15.937 10.819) 19.323 1.776 ( 4.822 3.259 4.142) 7.143 1.984 ( 6.397 6.452 -2.222) 9.353 2.098 ( 2.046 -0.542 -2.808) 3.517 2.345 ( 19.919 6.267 4.202) 21.300 2.479 ( 16.876 10.958 -6.553) 21.162 2.697 ( -2.420 0.258 1.758) 3.002 2.732 ( -5.237 -6.148 -2.966) 8.604 2.877 ( -8.647 0.568 5.574) 10.304 2.924 ( -0.878 1.195 2.412) 2.831 2.997 ( 2.808 -2.625 2.406) 4.535 3.044 ( 1.318 -1.541 1.852) 2.746 3.102 ( 0.297 -0.632 0.865) 1.112 3.204 ( 2.565 0.955 4.060) 4.897 3.319 ( 0.250 -0.610 0.675) 0.944 3.386 ( 5.789 -4.220 -2.625) 7.630 3.394 ( 4.052 -2.287 -0.038) 4.653 3.486 ( 3.387 0.331 -1.590) 3.756 3.565 ( 4.729 -0.749 -1.745) 5.096 3.647 ( 4.667 -4.067 -2.093) 6.534 3.693 ( 10.759 -2.911 -2.728) 11.475 3.809 ( 2.835 -2.645 0.732) 3.946 3.924 ( 5.667 5.102 -0.211) 7.628 4.026 ( 8.404 1.590 2.675) 8.961 4.131 ( 2.982 3.816 0.238) 4.848 4.182 ( 1.046 -2.862 0.110) 3.050 4.243 ( 1.284 -1.564 -0.033) 2.024 4.349 ( 5.950 1.184 2.609) 6.604 4.499 ( 10.127 4.521 1.531) 11.195 4.598 ( 7.066 -5.596 -4.186) 9.938 4.782 ( 3.807 -1.121 0.243) 3.976 4.942 ( 14.630 -0.515 -6.108) 15.862 5.124 ( 6.608 -4.530 -5.721) 9.845 6.164 ( -3.280 4.409 4.195) 6.913 6.476 ( -4.523 4.550 -0.737) 6.457 6.491 ( -4.034 5.055 0.641) 6.499 6.739 ( -1.704 5.967 2.084) 6.546 6.780 ( -0.709 2.919 -2.351) 3.815 7.019 ( -2.098 4.751 -3.538) 6.284 7.165 ( 2.922 -0.858 2.425) 3.893 7.269 ( 1.585 1.101 -1.419) 2.395 7.299 ( -1.344 -0.142 5.907) 6.060 7.459 ( 0.066 -8.004 -1.531) 8.149 7.659 ( -6.271 -4.996 0.351) 8.026 7.714 ( 0.927 -5.368 -0.469) 5.468 7.895 ( -4.072 -0.100 7.299) 8.359 8.100 ( 2.068 11.586 5.645) 13.053 8.263 ( -0.612 2.724 -4.153) 5.004 8.350 ( 3.914 -3.109 3.417) 6.055 8.633 ( 1.033 -11.684 -3.356) 12.200 8.798 ( -3.454 -0.178 1.791) 3.894 8.841 ( -5.056 -18.929 -11.534) 22.735 8.997 ( 2.557 4.511 -4.559) 6.904 9.447 ( 2.841 0.571 5.204) 5.956 9.884 ( 2.493 2.726 -6.990) 7.906 10.175 ( -3.612 -3.916 1.937) 5.668 10.241 ( -6.840 -1.495 1.985) 7.277 10.287 ( -3.972 -0.135 -0.838) 4.062 10.439 ( -1.855 -7.798 2.598) 8.426 10.550 ( -9.172 -3.446 -0.386) 9.806 10.638 ( -0.172 -9.290 -1.771) 9.459 11.747 ( -1.779 1.108 8.426) 8.682 12.055 ( -10.438 3.452 -2.881) 11.365 12.425 ( -4.070 -2.980 7.424) 8.976 12.612 ( -6.572 14.644 6.008) 17.139 12.880 ( 3.925 -3.528 -4.905) 7.205 13.217 ( -5.481 15.123 -9.229) 18.545 13.899 ( -7.533 -4.903 6.101) 10.863 14.504 ( -6.640 -5.271 -10.830) 13.754 14.943 ( -2.049 -0.288 7.679) 7.953 15.032 ( 6.149 0.674 6.569) 9.023 15.350 ( -7.344 4.363 -0.853) 8.585 15.721 ( 5.803 -2.491 -8.414) 10.520 15.962 ( 1.274 -2.068 9.002) 9.324 16.166 ( 10.173 -3.009 0.700) 10.632 16.220 ( 10.927 -1.034 -0.704) 10.999 16.480 ( -0.471 -1.750 -5.043) 5.359 23.770 ( -0.006 0.380 2.483) 2.512 23.854 ( -1.326 2.621 8.436) 8.932 23.949 ( -0.062 -1.122 0.500) 1.230 23.982 ( -0.304 -0.314 -4.293) 4.315 24.160 ( -0.304 -0.799 1.849) 2.037 24.228 ( 0.470 -0.940 6.585) 6.668 24.524 ( -4.033 4.872 -3.668) 7.312 24.712 ( -4.350 3.117 -6.881) 8.717 26.471 ( -3.932 -0.397 2.128) 4.489 26.681 ( -1.633 -1.654 -4.675) 5.221 26.790 ( -2.388 -5.879 1.580) 6.540 26.918 ( -2.833 -3.076 -1.586) 4.472 27.059 ( -0.558 3.572 7.471) 8.299 27.277 ( 6.250 4.973 3.300) 8.642 27.493 ( -5.372 -0.836 0.544) 5.464 28.136 ( 8.516 -9.415 -13.839) 18.780 ======================= Grid point 75 (29/60) ======================= q-point: ( 0.38 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 1.574 9.415 -0.703) 9.571 1.438 ( -0.134 7.001 -2.730) 7.516 1.707 ( 17.131 5.905 5.866) 19.046 1.745 ( 10.121 8.733 10.964) 17.289 1.887 ( 7.253 5.422 4.763) 10.231 2.111 ( 4.882 4.101 -1.388) 6.525 2.136 ( 2.748 1.006 0.028) 2.927 2.403 ( -9.326 -2.460 1.806) 9.813 2.564 ( -10.916 -0.069 6.783) 12.852 2.609 ( 0.739 1.065 -4.967) 5.133 2.681 ( -3.996 2.148 -4.853) 6.643 2.909 ( 2.471 0.220 -0.458) 2.523 2.980 ( 6.497 0.940 1.967) 6.853 3.056 ( 0.717 -0.053 2.233) 2.346 3.092 ( 7.092 4.331 3.380) 8.971 3.107 ( 1.764 0.651 4.196) 4.598 3.192 ( -1.373 2.076 6.553) 7.009 3.361 ( 3.026 -0.535 -4.919) 5.800 3.441 ( 0.647 -2.263 -1.728) 2.920 3.466 ( 2.127 -1.406 -1.309) 2.866 3.503 ( 0.014 -6.778 -4.859) 8.339 3.656 ( 3.404 -1.897 -2.870) 4.840 3.726 ( 2.717 -3.482 -0.188) 4.421 3.847 ( 3.335 0.752 -1.748) 3.840 3.877 ( 3.232 -0.031 1.306) 3.486 4.027 ( 4.523 2.783 0.331) 5.321 4.137 ( 3.325 0.347 -0.374) 3.364 4.188 ( 0.323 -2.644 1.372) 2.996 4.262 ( 0.394 0.171 3.987) 4.010 4.341 ( 13.598 6.213 -2.204) 15.111 4.400 ( -1.458 2.061 3.613) 4.407 4.621 ( 5.870 0.406 -1.421) 6.053 4.763 ( 4.122 -4.371 3.105) 6.763 4.961 ( 13.497 1.921 -2.667) 13.891 5.259 ( 11.837 -1.390 -6.785) 13.714 5.278 ( 8.713 -1.468 -6.531) 10.987 6.126 ( -0.723 2.406 3.541) 4.342 6.391 ( -2.789 3.752 -3.245) 5.691 6.442 ( -2.030 0.114 4.686) 5.108 6.700 ( -1.824 5.379 0.733) 5.727 6.763 ( -0.861 3.706 -1.206) 3.991 6.978 ( -1.682 5.285 -3.432) 6.522 7.192 ( -0.256 -2.622 3.723) 4.561 7.302 ( 2.275 2.632 -0.146) 3.482 7.343 ( 5.050 -0.673 1.088) 5.210 7.443 ( -0.289 -5.217 -1.796) 5.525 7.570 ( -3.117 -10.137 3.379) 11.131 7.734 ( 0.553 -7.246 -1.932) 7.520 7.771 ( -7.394 2.456 6.082) 9.884 8.138 ( 1.476 12.198 4.760) 13.177 8.222 ( -4.083 0.634 -5.670) 7.016 8.397 ( 0.884 -7.536 3.812) 8.491 8.612 ( -4.707 -5.986 -5.504) 9.396 8.667 ( -6.487 -12.702 -5.167) 15.169 8.748 ( -1.339 3.748 3.664) 5.410 9.074 ( 3.952 3.262 -4.474) 6.803 9.498 ( 1.861 0.722 5.738) 6.075 9.941 ( 2.876 2.839 -5.607) 6.911 10.039 ( -7.626 -0.179 4.337) 8.775 10.146 ( -2.121 -2.906 -0.083) 3.598 10.253 ( -0.870 -2.900 -4.386) 5.329 10.322 ( -7.116 -2.730 -3.039) 8.205 10.467 ( -0.769 -10.236 4.897) 11.373 10.614 ( -1.773 -9.479 -0.563) 9.660 11.732 ( -0.023 1.157 3.633) 3.813 11.912 ( -4.232 0.630 -1.991) 4.719 12.350 ( -2.978 -2.787 9.076) 9.950 12.511 ( -3.298 15.509 5.588) 16.812 12.938 ( 2.200 2.287 -6.712) 7.424 13.106 ( -5.218 7.709 -8.638) 12.699 13.780 ( -4.066 -4.397 6.251) 8.657 14.405 ( -3.073 -5.063 -11.305) 12.762 14.909 ( -1.207 0.522 5.187) 5.351 15.129 ( 2.627 2.015 5.074) 6.059 15.215 ( -4.594 5.033 2.885) 7.400 15.793 ( 1.865 0.956 -3.549) 4.121 15.987 ( 1.110 -0.647 5.201) 5.358 16.335 ( 6.066 -3.831 0.690) 7.208 16.398 ( 6.299 -1.621 -0.927) 6.570 16.468 ( -0.563 -1.645 -4.995) 5.289 23.771 ( 0.070 0.353 1.960) 1.993 23.836 ( -0.556 3.187 7.831) 8.473 23.948 ( -0.018 -1.268 1.186) 1.736 23.981 ( 0.107 -0.089 -5.260) 5.262 24.153 ( -0.313 -0.872 -0.369) 0.997 24.236 ( 0.292 -0.868 6.724) 6.786 24.484 ( 0.132 3.437 -4.058) 5.319 24.618 ( -4.936 1.713 -6.169) 8.084 26.411 ( -1.987 -0.161 2.680) 3.340 26.650 ( -1.339 -1.428 -4.621) 5.019 26.746 ( -1.582 -5.768 1.901) 6.276 26.860 ( -2.438 -3.145 -1.300) 4.186 27.055 ( 0.004 4.581 5.550) 7.197 27.330 ( -1.617 4.048 -2.417) 4.985 27.442 ( 1.475 2.397 8.278) 8.743 28.262 ( 4.009 -9.150 -12.683) 16.144 ======================= Grid point 76 (30/60) ======================= q-point: (-0.50 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( -0.000 9.948 -0.325) 9.953 1.435 ( 0.000 8.068 -1.406) 8.190 1.841 ( 0.000 1.048 5.922) 6.014 1.937 ( -0.000 6.207 1.075) 6.300 2.073 ( -0.000 9.467 2.408) 9.768 2.123 ( 0.000 -0.588 -0.205) 0.623 2.217 ( 0.000 -6.140 2.789) 6.744 2.227 ( -0.000 4.079 5.336) 6.716 2.357 ( 0.000 4.185 13.262) 13.907 2.560 ( 0.000 -3.250 -3.706) 4.930 2.724 ( -0.000 5.543 -8.822) 10.419 2.900 ( 0.000 4.825 -2.537) 5.451 3.024 ( 0.000 -1.601 0.588) 1.705 3.059 ( 0.000 -2.049 6.270) 6.596 3.086 ( 0.000 -0.964 4.059) 4.172 3.173 ( 0.000 2.728 5.207) 5.878 3.258 ( -0.000 4.160 1.053) 4.291 3.403 ( 0.000 -3.745 -2.887) 4.729 3.423 ( 0.000 -0.178 -3.478) 3.482 3.475 ( 0.000 -12.762 -2.542) 13.012 3.518 ( 0.000 6.102 -7.651) 9.787 3.691 ( 0.000 0.501 -4.694) 4.720 3.745 ( 0.000 -11.094 1.297) 11.170 3.873 ( 0.000 2.246 -2.108) 3.080 3.934 ( 0.000 8.676 4.644) 9.841 4.098 ( 0.000 1.446 -0.692) 1.603 4.146 ( 0.000 -4.521 2.867) 5.353 4.193 ( -0.000 -3.035 2.641) 4.024 4.272 ( -0.000 3.532 0.817) 3.625 4.335 ( 0.000 1.029 7.404) 7.475 4.526 ( 0.000 5.557 -4.338) 7.050 4.684 ( 0.000 -1.266 -3.744) 3.953 4.809 ( 0.000 -1.758 6.010) 6.262 5.145 ( 0.000 2.742 -2.825) 3.937 5.312 ( 0.000 -0.976 -6.562) 6.634 5.427 ( 0.000 -0.757 -7.922) 7.958 6.122 ( 0.000 1.540 3.198) 3.550 6.363 ( 0.000 2.140 -2.742) 3.478 6.418 ( 0.000 -0.647 4.874) 4.916 6.679 ( 0.000 5.327 0.419) 5.344 6.753 ( 0.000 4.140 -0.885) 4.234 6.960 ( 0.000 5.292 -3.476) 6.332 7.185 ( 0.000 -2.305 3.545) 4.228 7.330 ( 0.000 1.272 -1.843) 2.240 7.430 ( -0.000 -1.544 2.217) 2.701 7.491 ( 0.000 -1.576 0.036) 1.577 7.495 ( -0.000 -14.984 6.056) 16.161 7.669 ( 0.000 3.505 2.662) 4.402 7.742 ( 0.000 -5.209 -2.316) 5.701 8.140 ( 0.000 -0.063 -5.395) 5.396 8.156 ( 0.000 6.969 2.301) 7.339 8.402 ( 0.000 -9.498 4.069) 10.333 8.528 ( 0.000 0.305 -6.542) 6.550 8.630 ( 0.000 -9.507 -1.826) 9.681 8.737 ( 0.000 5.321 4.481) 6.957 9.119 ( 0.000 2.266 -4.889) 5.389 9.516 ( 0.000 0.510 5.974) 5.995 9.942 ( 0.000 0.614 3.934) 3.981 9.991 ( 0.000 3.447 -5.642) 6.612 10.123 ( 0.000 -2.840 -0.453) 2.876 10.243 ( -0.000 -1.689 -3.143) 3.568 10.245 ( 0.000 -4.599 -4.528) 6.454 10.460 ( 0.000 -12.021 4.827) 12.954 10.591 ( 0.000 -9.237 0.411) 9.246 11.734 ( 0.000 0.751 1.913) 2.055 11.872 ( 0.000 -0.413 -1.827) 1.873 12.319 ( 0.000 -2.753 10.142) 10.509 12.479 ( 0.000 15.891 5.585) 16.843 12.972 ( 0.000 17.454 -7.316) 18.925 13.035 ( -0.000 -7.755 -8.882) 11.791 13.739 ( 0.000 -4.186 6.304) 7.568 14.375 ( -0.000 -5.004 -11.606) 12.639 14.897 ( 0.000 0.710 4.231) 4.290 15.128 ( 0.000 8.288 -1.998) 8.525 15.194 ( 0.000 -0.628 10.943) 10.961 15.810 ( 0.000 1.721 -1.323) 2.171 16.000 ( 0.000 0.146 3.380) 3.383 16.398 ( 0.000 -4.041 0.718) 4.104 16.462 ( 0.000 -1.595 -4.985) 5.234 16.463 ( 0.000 -1.699 -0.980) 1.962 23.771 ( -0.000 0.345 1.575) 1.612 23.830 ( 0.000 3.215 7.640) 8.288 23.948 ( 0.000 -1.320 1.684) 2.139 23.983 ( 0.000 -0.097 -5.799) 5.800 24.150 ( -0.000 -0.851 -0.897) 1.237 24.239 ( 0.000 -0.859 6.840) 6.894 24.519 ( 0.000 3.141 -7.530) 8.159 24.533 ( -0.000 1.347 -2.621) 2.947 26.391 ( 0.000 -0.103 2.913) 2.915 26.635 ( 0.000 -1.296 -4.172) 4.369 26.730 ( -0.000 -5.748 1.606) 5.968 26.834 ( 0.000 -3.133 -1.162) 3.342 27.055 ( 0.000 4.926 4.869) 6.926 27.303 ( 0.000 4.375 -2.228) 4.910 27.468 ( 0.000 2.599 8.799) 9.175 28.302 ( 0.000 -8.994 -12.307) 15.243 ======================= Grid point 81 (31/60) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 0.000 16.832 13.446) 21.543 1.259 ( 0.000 24.961 9.704) 26.781 1.670 ( 0.000 0.169 4.271) 4.274 1.787 ( 0.000 21.757 -1.159) 21.788 1.960 ( 0.000 14.749 -4.028) 15.289 2.036 ( 0.000 4.919 -7.360) 8.853 2.163 ( 0.000 4.791 -16.098) 16.796 2.177 ( 0.000 15.289 10.116) 18.333 2.205 ( 0.000 9.801 -7.382) 12.270 2.689 ( 0.000 -4.123 2.872) 5.025 2.754 ( 0.000 -1.038 9.159) 9.217 2.786 ( 0.000 -3.311 -8.481) 9.104 2.839 ( 0.000 -5.744 3.240) 6.595 2.884 ( 0.000 -7.221 -1.336) 7.343 2.955 ( 0.000 -8.255 -2.823) 8.725 2.957 ( 0.000 -5.339 2.749) 6.005 3.107 ( 0.000 0.671 0.038) 0.673 3.115 ( 0.000 -0.028 2.960) 2.960 3.275 ( 0.000 -1.248 1.332) 1.825 3.315 ( 0.000 0.629 -1.879) 1.981 3.343 ( 0.000 -3.214 6.127) 6.919 3.384 ( 0.000 -0.465 0.264) 0.535 3.495 ( 0.000 1.394 14.428) 14.495 3.577 ( 0.000 -1.971 -4.359) 4.784 3.676 ( 0.000 -0.996 -1.677) 1.951 3.739 ( 0.000 2.027 2.966) 3.592 3.906 ( 0.000 -5.480 3.277) 6.385 3.918 ( 0.000 5.760 -0.787) 5.813 4.109 ( 0.000 -4.460 -0.043) 4.460 4.328 ( 0.000 3.187 -2.554) 4.084 4.328 ( 0.000 0.666 -1.763) 1.884 4.362 ( 0.000 4.776 1.066) 4.893 4.383 ( 0.000 3.210 -1.021) 3.369 4.628 ( 0.000 -2.032 -8.899) 9.129 4.641 ( 0.000 -5.272 4.305) 6.807 4.832 ( 0.000 -10.036 -1.897) 10.213 6.497 ( 0.000 7.733 7.722) 10.928 6.578 ( 0.000 2.887 3.615) 4.626 6.845 ( 0.000 5.297 3.626) 6.419 6.862 ( 0.000 4.544 -3.604) 5.800 6.969 ( 0.000 1.548 -3.314) 3.657 7.134 ( 0.000 4.338 -3.374) 5.496 7.187 ( 0.000 3.482 -2.064) 4.048 7.265 ( 0.000 0.856 -1.848) 2.037 7.271 ( 0.000 -4.332 1.846) 4.709 7.429 ( 0.000 -1.304 -2.445) 2.771 7.476 ( 0.000 -12.854 11.046) 16.948 7.912 ( 0.000 1.040 1.070) 1.492 7.964 ( 0.000 3.096 -0.284) 3.109 8.022 ( 0.000 -19.006 -6.256) 20.009 8.095 ( 0.000 -5.121 1.802) 5.429 8.317 ( 0.000 -7.620 -6.236) 9.847 8.377 ( 0.000 14.252 0.918) 14.281 8.533 ( 0.000 11.404 -4.130) 12.129 8.825 ( 0.000 -2.456 0.545) 2.516 8.980 ( 0.000 0.362 -6.297) 6.307 9.366 ( 0.000 -0.310 5.340) 5.349 9.856 ( 0.000 1.634 -7.728) 7.899 9.967 ( 0.000 -17.958 6.290) 19.028 10.269 ( 0.000 -8.167 -2.854) 8.651 10.407 ( 0.000 -2.040 3.673) 4.202 10.438 ( 0.000 -2.752 7.157) 7.668 10.500 ( 0.000 -1.601 -0.131) 1.607 10.713 ( 0.000 -5.453 -1.392) 5.627 11.883 ( 0.000 6.903 11.892) 13.751 12.398 ( 0.000 -5.450 3.441) 6.445 12.670 ( 0.000 0.641 -13.086) 13.102 12.688 ( 0.000 0.492 -3.857) 3.888 13.170 ( 0.000 14.581 9.110) 17.193 13.721 ( 0.000 17.342 -8.403) 19.271 13.975 ( 0.000 -10.093 5.569) 11.528 14.536 ( 0.000 -8.202 -10.445) 13.281 14.879 ( 0.000 0.276 5.259) 5.266 14.937 ( 0.000 -5.894 11.875) 13.257 15.191 ( 0.000 2.656 -4.589) 5.303 15.465 ( 0.000 -5.108 -5.246) 7.322 15.854 ( 0.000 0.206 2.683) 2.691 15.920 ( 0.000 -1.171 8.803) 8.881 16.008 ( 0.000 7.299 -1.556) 7.463 16.424 ( 0.000 -4.102 -5.084) 6.533 23.789 ( 0.000 1.299 2.266) 2.612 23.919 ( 0.000 -1.812 0.789) 1.976 23.922 ( 0.000 1.548 2.955) 3.336 23.983 ( 0.000 -0.575 -3.572) 3.618 24.156 ( 0.000 -0.307 10.892) 10.897 24.196 ( 0.000 -0.793 7.517) 7.559 24.704 ( 0.000 3.965 -6.293) 7.438 25.057 ( 0.000 -3.641 -14.221) 14.679 26.605 ( 0.000 -2.424 3.466) 4.229 26.644 ( 0.000 -4.643 1.549) 4.895 26.755 ( 0.000 -2.868 -1.337) 3.164 26.829 ( 0.000 -3.044 -2.984) 4.262 27.140 ( 0.000 2.931 12.253) 12.599 27.196 ( 0.000 4.436 2.985) 5.347 27.421 ( 0.000 9.525 -2.710) 9.903 27.843 ( 0.000 -5.743 -8.387) 10.165 ======================= Grid point 82 (32/60) ======================= q-point: ( 0.12 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 6.920 15.282 9.850) 19.454 1.382 ( 9.192 21.920 7.493) 24.923 1.704 ( 3.093 0.068 4.352) 5.340 1.785 ( -3.847 15.097 -5.239) 16.436 1.992 ( 5.608 11.614 -3.577) 13.384 2.056 ( 1.299 5.078 -3.956) 6.567 2.093 ( -2.091 11.188 -1.343) 11.460 2.239 ( 8.798 13.726 4.636) 16.950 2.419 ( 13.618 7.376 -9.892) 18.377 2.681 ( -1.699 -2.778 -1.030) 3.415 2.781 ( -5.851 -6.237 -2.609) 8.941 2.784 ( 3.940 -3.072 0.260) 5.003 2.845 ( 2.193 -4.198 -2.573) 5.390 2.879 ( 4.233 -2.608 9.578) 10.792 2.977 ( 2.285 -4.263 1.388) 5.032 3.049 ( 5.801 -7.939 -0.182) 9.834 3.184 ( 7.345 0.556 1.884) 7.603 3.198 ( 6.487 2.255 1.775) 7.093 3.254 ( -6.002 2.725 4.212) 7.822 3.295 ( 1.813 -1.499 2.275) 3.272 3.407 ( 5.839 -3.472 1.435) 6.943 3.429 ( 3.496 -3.108 -0.077) 4.678 3.534 ( 3.319 3.422 5.750) 7.469 3.555 ( 0.693 -1.364 -1.993) 2.512 3.712 ( 2.390 -3.367 -0.784) 4.203 3.817 ( 6.846 0.739 3.523) 7.735 3.900 ( 5.316 3.984 -0.220) 6.647 4.008 ( 4.098 -1.339 0.755) 4.377 4.143 ( 3.419 -3.569 -0.712) 4.993 4.293 ( -1.125 4.291 -2.945) 5.324 4.340 ( 0.351 4.059 -1.013) 4.198 4.391 ( 4.084 3.422 2.213) 5.769 4.441 ( 3.725 -1.038 -1.852) 4.288 4.648 ( 2.544 -4.508 -0.063) 5.177 4.702 ( 5.975 -3.555 -3.911) 7.978 4.871 ( 3.871 -9.182 -2.224) 10.210 6.406 ( -6.943 7.184 6.451) 11.893 6.555 ( -2.157 1.893 3.603) 4.606 6.840 ( -3.009 4.283 -4.060) 6.624 6.885 ( -1.884 6.243 -1.383) 6.666 6.907 ( -4.063 6.517 -2.100) 7.962 7.087 ( 0.158 0.303 1.766) 1.798 7.177 ( -0.944 4.105 -1.324) 4.416 7.233 ( -2.022 -3.465 1.015) 4.139 7.304 ( 1.227 -0.387 0.507) 1.383 7.345 ( -0.578 -1.749 2.814) 3.363 7.550 ( 0.730 -9.486 2.434) 9.821 7.786 ( -8.599 -1.360 -3.879) 9.531 7.923 ( 0.012 0.552 2.830) 2.884 8.125 ( 2.853 -4.859 2.325) 6.096 8.169 ( 5.696 -15.708 -2.517) 16.898 8.328 ( 1.515 -6.168 -4.619) 7.853 8.383 ( 0.407 13.395 1.137) 13.449 8.618 ( 5.618 5.934 -6.508) 10.446 8.824 ( -0.067 -0.675 1.227) 1.402 9.009 ( 2.590 1.052 -5.661) 6.314 9.387 ( 1.991 -0.746 5.384) 5.789 9.862 ( 0.771 0.036 -6.847) 6.890 9.966 ( -0.277 -17.276 4.930) 17.968 10.267 ( -0.927 -8.486 -3.601) 9.265 10.366 ( -4.959 -1.960 4.125) 6.742 10.382 ( -3.414 -3.650 4.782) 6.917 10.480 ( -2.138 -2.188 0.802) 3.163 10.647 ( -6.338 -4.719 -1.405) 8.026 11.867 ( -1.420 7.357 10.001) 12.497 12.365 ( -3.856 -3.443 1.612) 5.414 12.495 ( -11.561 3.302 -5.370) 13.168 12.742 ( 2.209 -2.218 -4.996) 5.896 13.081 ( -6.954 16.264 7.828) 19.344 13.659 ( -5.273 16.268 -9.352) 19.491 13.902 ( -6.476 -9.584 5.991) 13.027 14.485 ( -5.498 -9.510 -10.792) 15.399 14.926 ( 4.356 0.094 6.666) 7.964 14.942 ( 0.717 -2.228 9.766) 10.043 15.366 ( 13.420 -0.397 -4.739) 14.238 15.510 ( 2.972 -2.376 -6.119) 7.206 15.901 ( 2.807 -0.728 5.429) 6.155 15.949 ( 4.313 -1.306 5.488) 7.101 16.058 ( 5.309 4.791 -1.317) 7.271 16.424 ( -0.020 -4.143 -5.032) 6.518 23.788 ( -0.107 1.290 2.298) 2.637 23.918 ( -0.096 -2.005 0.770) 2.150 23.921 ( -0.089 2.235 3.384) 4.056 23.981 ( -0.175 -0.339 -3.443) 3.464 24.152 ( -0.377 -0.398 8.457) 8.475 24.199 ( 0.247 -0.994 7.505) 7.574 24.683 ( -2.172 3.825 -5.954) 7.403 24.936 ( -9.392 0.197 -10.908) 14.395 26.543 ( -4.173 -1.051 2.301) 4.880 26.643 ( -1.107 -4.716 1.688) 5.130 26.733 ( -1.582 -2.697 -2.549) 4.034 26.850 ( 0.221 -5.600 -2.423) 6.106 27.144 ( 0.581 4.365 9.180) 10.181 27.254 ( 4.962 3.829 4.132) 7.507 27.496 ( 4.640 4.589 -2.612) 7.029 27.851 ( 2.050 -5.620 -8.378) 10.295 ======================= Grid point 83 (33/60) ======================= q-point: ( 0.25 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 8.109 11.681 2.313) 14.406 1.582 ( 9.613 14.833 3.151) 17.954 1.690 ( -2.631 11.996 -3.438) 12.753 1.782 ( 4.364 1.138 4.950) 6.696 2.035 ( 0.733 16.304 9.302) 18.785 2.088 ( 1.118 1.763 -2.058) 2.931 2.145 ( 5.972 8.776 -5.284) 11.857 2.490 ( 10.806 6.940 0.142) 12.844 2.597 ( -4.373 -4.178 -3.037) 6.767 2.642 ( -6.147 -3.497 -1.448) 7.219 2.676 ( 9.467 2.071 -3.636) 10.351 2.854 ( -1.021 -3.698 1.298) 4.049 2.904 ( 2.920 -3.716 0.065) 4.726 3.001 ( 6.361 -1.215 1.694) 6.694 3.049 ( 7.157 0.395 3.478) 7.967 3.090 ( -3.683 -1.013 2.982) 4.846 3.182 ( 2.772 -0.620 2.897) 4.057 3.281 ( 3.119 -0.754 -0.803) 3.308 3.336 ( 3.237 -1.680 1.255) 3.857 3.342 ( 0.265 -0.963 1.815) 2.072 3.445 ( 1.715 0.668 2.453) 3.067 3.571 ( 6.289 -0.372 -2.319) 6.713 3.622 ( 7.225 -2.303 -1.682) 7.768 3.667 ( 9.745 3.488 0.073) 10.350 3.776 ( 3.757 -0.012 -0.372) 3.775 3.996 ( 5.595 -3.116 1.811) 6.655 4.028 ( 8.033 4.117 0.815) 9.063 4.092 ( 3.758 -3.199 0.788) 4.997 4.225 ( 4.205 0.999 0.318) 4.334 4.309 ( 4.395 7.711 -3.442) 9.519 4.389 ( 4.664 3.509 1.870) 6.129 4.511 ( 5.949 -1.907 -1.582) 6.444 4.550 ( 6.614 0.210 2.895) 7.223 4.731 ( 8.518 -3.481 0.897) 9.245 4.905 ( 13.893 -3.717 -4.016) 14.932 4.999 ( 9.312 -7.423 -3.709) 12.473 6.276 ( -5.314 6.109 4.559) 9.293 6.497 ( -3.426 0.149 3.496) 4.897 6.650 ( -10.625 6.901 -5.192) 13.692 6.802 ( -3.287 1.096 -4.445) 5.636 6.928 ( 0.480 9.839 3.665) 10.510 7.119 ( 1.169 0.238 1.762) 2.128 7.159 ( -0.777 4.069 -0.517) 4.175 7.215 ( 0.103 -5.857 1.510) 6.049 7.319 ( 1.007 2.054 -0.700) 2.392 7.364 ( 1.342 -1.262 0.818) 2.016 7.502 ( -4.564 -9.342 0.962) 10.442 7.654 ( -4.398 -0.810 -3.814) 5.878 7.904 ( -2.122 1.037 4.331) 4.933 8.168 ( 0.607 -8.604 0.224) 8.628 8.229 ( 0.155 -13.177 -0.783) 13.202 8.367 ( 1.766 -5.078 -2.730) 6.030 8.393 ( 0.726 10.695 1.602) 10.839 8.678 ( 0.184 4.838 -6.277) 7.927 8.828 ( 0.586 2.921 2.711) 4.028 9.072 ( 3.473 2.504 -4.022) 5.874 9.436 ( 2.512 -1.915 5.751) 6.562 9.890 ( 1.931 -3.711 -4.763) 6.339 9.952 ( -0.958 -15.456 2.065) 15.623 10.206 ( -4.734 -6.574 -3.268) 8.736 10.219 ( -8.397 -1.573 3.875) 9.380 10.341 ( -1.495 -7.614 1.287) 7.866 10.423 ( -3.238 -3.851 0.727) 5.084 10.482 ( -8.982 -3.019 -1.445) 9.585 11.837 ( -1.298 7.482 6.448) 9.962 12.201 ( -10.128 9.174 -4.340) 14.338 12.342 ( -4.416 -4.772 5.869) 8.759 12.780 ( 1.515 -6.275 -5.549) 8.513 12.947 ( -5.771 16.875 6.392) 18.946 13.535 ( -6.695 15.648 -9.605) 19.543 13.758 ( -6.855 -8.785 6.179) 12.742 14.354 ( -6.275 -9.425 -10.839) 15.674 14.944 ( -0.257 0.612 8.581) 8.607 15.038 ( 5.570 -0.354 8.888) 10.495 15.463 ( -2.540 6.198 -4.369) 7.997 15.670 ( 10.327 -2.123 -8.107) 13.299 15.940 ( 1.911 -0.007 8.243) 8.462 16.093 ( 8.230 -3.924 1.821) 9.298 16.208 ( 8.569 0.200 -1.359) 8.678 16.421 ( -0.332 -4.035 -4.899) 6.355 23.786 ( -0.071 1.236 2.251) 2.569 23.915 ( -0.265 -1.403 1.553) 2.109 23.918 ( -0.151 2.504 3.845) 4.592 23.978 ( -0.004 -0.032 -3.886) 3.886 24.143 ( -0.478 -0.597 4.255) 4.323 24.205 ( 0.332 -1.354 7.347) 7.478 24.617 ( -3.905 4.234 -4.937) 7.586 24.767 ( -6.740 1.519 -8.144) 10.680 26.464 ( -3.403 -0.080 2.261) 4.087 26.616 ( -1.267 -4.591 0.573) 4.797 26.688 ( -2.764 -3.280 -1.792) 4.649 26.822 ( -2.538 -5.905 -2.261) 6.814 27.162 ( 1.106 6.341 6.313) 9.016 27.366 ( 5.437 2.911 4.159) 7.439 27.518 ( -1.824 3.766 -1.899) 4.595 27.945 ( 6.015 -8.783 -8.472) 13.605 ======================= Grid point 84 (34/60) ======================= q-point: ( 0.38 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 3.545 10.611 -3.776) 11.808 1.603 ( -1.132 9.173 -4.287) 10.189 1.813 ( 5.683 3.242 3.714) 7.523 1.908 ( 10.164 6.680 6.433) 13.759 2.072 ( 1.807 1.864 -0.508) 2.645 2.137 ( 4.813 12.266 8.672) 15.774 2.260 ( 4.846 6.044 -2.750) 8.220 2.405 ( -8.938 2.245 1.170) 9.290 2.513 ( -6.642 -1.476 -1.715) 7.016 2.691 ( -4.500 5.155 7.208) 9.939 2.739 ( 4.386 1.032 0.315) 4.516 2.865 ( 7.166 -0.937 -2.872) 7.777 2.980 ( 0.461 -1.435 -2.757) 3.142 3.029 ( 0.635 -1.139 1.497) 1.985 3.059 ( -0.618 -2.569 1.360) 2.972 3.150 ( 1.714 -9.302 -0.920) 9.503 3.247 ( 0.521 0.742 -1.124) 1.444 3.333 ( 2.456 -5.503 -1.982) 6.344 3.359 ( 3.435 6.857 3.781) 8.550 3.383 ( 0.138 -5.411 -0.631) 5.449 3.473 ( 2.590 0.434 3.580) 4.440 3.597 ( -1.092 -2.585 -5.498) 6.173 3.770 ( 2.777 5.782 -4.121) 7.624 3.852 ( 5.268 0.517 -2.054) 5.677 3.890 ( 10.807 1.712 4.994) 12.027 4.044 ( 1.335 -2.259 -0.163) 2.629 4.110 ( -0.460 -1.737 0.641) 1.908 4.160 ( 2.398 0.174 1.691) 2.939 4.298 ( 2.834 2.650 2.702) 4.728 4.418 ( -0.734 2.484 2.041) 3.298 4.513 ( 8.243 5.035 -3.518) 10.280 4.601 ( 4.366 -1.665 -2.000) 5.083 4.695 ( 9.078 0.545 7.402) 11.726 5.008 ( 15.524 2.217 -1.019) 15.715 5.208 ( 13.474 -4.598 -2.819) 14.514 5.220 ( 10.192 -3.758 -4.389) 11.716 6.200 ( -2.278 4.635 2.827) 5.887 6.426 ( -3.221 -1.297 3.336) 4.815 6.482 ( -5.991 4.399 -3.723) 8.313 6.742 ( -2.162 -0.956 -5.301) 5.804 6.927 ( -0.385 10.982 3.844) 11.642 7.119 ( -0.606 4.762 -0.261) 4.807 7.142 ( -0.944 0.577 2.156) 2.423 7.225 ( 0.650 -7.852 2.296) 8.207 7.341 ( 0.048 0.282 -1.748) 1.771 7.394 ( 2.071 -0.206 0.046) 2.082 7.423 ( -1.666 -5.812 0.398) 6.059 7.590 ( -2.474 -5.030 -3.714) 6.724 7.839 ( -3.796 3.599 3.593) 6.346 8.111 ( -6.920 -8.507 -4.154) 11.727 8.200 ( -1.270 -11.145 2.655) 11.527 8.390 ( 0.550 -9.792 -2.244) 10.061 8.410 ( 0.853 12.464 2.730) 12.788 8.665 ( -0.539 9.652 -4.458) 10.645 8.843 ( 0.699 5.162 4.077) 6.615 9.138 ( 2.675 2.529 -3.397) 5.009 9.475 ( 1.123 -3.364 6.410) 7.326 9.925 ( 0.620 -16.387 0.897) 16.423 9.949 ( 1.677 -4.955 -4.746) 7.063 10.058 ( -6.555 0.529 3.524) 7.461 10.117 ( -3.873 -7.562 -4.407) 9.571 10.297 ( -3.668 -2.705 -2.090) 5.014 10.315 ( -4.750 -6.902 1.977) 8.609 10.380 ( -1.924 -5.700 0.054) 6.016 11.818 ( -0.583 6.860 3.512) 7.729 12.042 ( -5.257 10.972 -2.688) 12.460 12.269 ( -2.787 -5.193 7.167) 9.279 12.804 ( 1.033 -7.498 -6.070) 9.702 12.861 ( -2.807 14.274 5.152) 15.432 13.406 ( -5.448 16.999 -8.655) 19.838 13.651 ( -3.607 -8.268 6.152) 10.919 14.258 ( -3.055 -9.323 -11.214) 14.899 14.933 ( -0.603 1.991 7.252) 7.544 15.129 ( 3.203 -1.689 11.245) 11.814 15.392 ( -3.417 11.174 -4.311) 12.455 15.813 ( 4.074 0.537 -6.458) 7.655 15.984 ( 2.159 0.644 5.965) 6.376 16.236 ( 5.302 -5.679 1.613) 7.935 16.359 ( 5.629 -2.084 -1.531) 6.194 16.413 ( -0.364 -3.639 -4.731) 5.980 23.785 ( 0.006 1.138 1.957) 2.264 23.908 ( -0.359 0.920 3.621) 3.753 23.916 ( -0.064 0.696 3.070) 3.149 23.980 ( 0.145 0.073 -4.719) 4.722 24.135 ( -0.322 -0.710 1.503) 1.693 24.211 ( 0.220 -1.615 7.221) 7.402 24.560 ( -1.211 3.673 -4.450) 5.896 24.654 ( -4.788 1.406 -6.958) 8.562 26.411 ( -1.800 0.332 2.510) 3.106 26.598 ( -0.437 -4.777 0.319) 4.808 26.634 ( -2.300 -3.134 -1.376) 4.123 26.770 ( -2.141 -5.341 -1.843) 6.042 27.183 ( 0.817 7.613 4.530) 8.897 27.440 ( 0.562 5.819 -0.837) 5.906 27.486 ( 0.487 2.207 4.060) 4.647 28.045 ( 3.409 -11.324 -8.442) 14.530 ======================= Grid point 85 (35/60) ======================= q-point: (-0.50 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 0.000 10.840 -4.008) 11.557 1.612 ( 0.000 8.718 -4.265) 9.705 1.863 ( 0.000 0.673 3.190) 3.260 2.063 ( 0.000 -5.501 -2.617) 6.092 2.126 ( -0.000 9.201 5.697) 10.822 2.183 ( 0.000 2.844 1.634) 3.280 2.264 ( 0.000 10.553 10.645) 14.990 2.371 ( -0.000 9.576 -1.482) 9.690 2.387 ( 0.000 -1.344 0.125) 1.350 2.582 ( 0.000 6.555 8.272) 10.554 2.852 ( -0.000 5.525 -2.994) 6.285 2.919 ( 0.000 -2.677 -1.837) 3.246 2.977 ( 0.000 -2.555 0.887) 2.705 3.022 ( -0.000 -0.980 -1.418) 1.724 3.061 ( -0.000 -2.019 3.430) 3.980 3.170 ( 0.000 -10.610 -3.945) 11.320 3.243 ( 0.000 -0.113 -1.102) 1.108 3.360 ( 0.000 -3.756 -2.625) 4.583 3.362 ( -0.000 -4.546 -1.765) 4.877 3.408 ( 0.000 8.983 2.905) 9.441 3.519 ( -0.000 -7.907 8.349) 11.499 3.572 ( 0.000 -2.457 -8.974) 9.304 3.789 ( 0.000 7.818 -4.261) 8.903 3.906 ( 0.000 1.046 -3.850) 3.989 4.041 ( 0.000 -5.351 1.798) 5.645 4.082 ( 0.000 3.270 2.559) 4.152 4.098 ( -0.000 0.912 1.291) 1.581 4.141 ( -0.000 -1.015 1.639) 1.928 4.347 ( -0.000 0.167 6.285) 6.287 4.358 ( 0.000 3.880 2.018) 4.373 4.618 ( -0.000 1.271 -4.147) 4.337 4.637 ( 0.000 -2.566 -2.805) 3.802 4.821 ( 0.000 5.366 7.498) 9.220 5.226 ( -0.000 4.304 -0.624) 4.349 5.290 ( 0.000 -0.996 -5.137) 5.232 5.368 ( 0.000 -5.483 -2.556) 6.049 6.179 ( 0.000 3.960 1.851) 4.371 6.389 ( 0.000 -2.294 3.734) 4.382 6.418 ( 0.000 3.288 -3.384) 4.718 6.722 ( 0.000 -1.482 -6.008) 6.188 6.921 ( 0.000 11.291 4.164) 12.034 7.112 ( 0.000 8.592 -1.388) 8.703 7.130 ( 0.000 -2.879 3.698) 4.686 7.234 ( 0.000 -9.321 3.874) 10.094 7.326 ( 0.000 -2.476 -2.169) 3.292 7.400 ( 0.000 -0.938 1.152) 1.485 7.466 ( 0.000 -0.515 -0.815) 0.964 7.551 ( 0.000 -10.706 -4.985) 11.810 7.791 ( 0.000 5.514 2.540) 6.071 8.002 ( 0.000 -4.649 -3.840) 6.030 8.189 ( 0.000 -11.029 2.957) 11.418 8.395 ( 0.000 -12.650 -2.271) 12.852 8.420 ( 0.000 14.646 3.066) 14.964 8.661 ( 0.000 11.391 -3.957) 12.059 8.851 ( 0.000 5.664 4.632) 7.317 9.167 ( 0.000 2.034 -3.371) 3.937 9.484 ( 0.000 -4.026 6.720) 7.834 9.931 ( 0.000 -19.990 0.265) 19.992 9.976 ( -0.000 1.173 0.470) 1.264 9.990 ( -0.000 -2.485 -2.643) 3.628 10.068 ( 0.000 -8.406 -4.781) 9.670 10.243 ( 0.000 1.870 -3.353) 3.839 10.276 ( 0.000 -9.026 3.998) 9.872 10.361 ( 0.000 -7.113 0.103) 7.114 11.813 ( 0.000 6.470 2.296) 6.865 11.990 ( 0.000 11.015 -2.207) 11.234 12.239 ( 0.000 -5.054 7.771) 9.269 12.824 ( 0.000 -12.560 -7.489) 14.623 12.825 ( -0.000 17.223 5.722) 18.149 13.346 ( 0.000 18.410 -7.991) 20.070 13.615 ( 0.000 -8.034 6.145) 10.114 14.229 ( -0.000 -9.429 -11.422) 14.811 14.926 ( 0.000 2.361 6.693) 7.097 15.162 ( -0.000 -2.690 12.553) 12.838 15.353 ( 0.000 13.257 -4.644) 14.047 15.851 ( 0.000 1.720 -4.874) 5.169 16.008 ( 0.000 0.850 4.120) 4.207 16.291 ( 0.000 -6.197 1.630) 6.407 16.409 ( 0.000 -3.368 -4.642) 5.735 16.417 ( 0.000 -2.657 -1.591) 3.097 23.785 ( -0.000 1.085 1.730) 2.042 23.904 ( 0.000 1.489 4.244) 4.498 23.916 ( 0.000 0.261 2.990) 3.001 23.982 ( 0.000 0.073 -5.096) 5.096 24.131 ( -0.000 -0.706 0.658) 0.964 24.213 ( 0.000 -1.708 7.185) 7.386 24.568 ( 0.000 1.953 -3.641) 4.132 24.584 ( -0.000 2.746 -7.260) 7.762 26.393 ( 0.000 0.453 2.613) 2.652 26.599 ( 0.000 -6.540 2.205) 6.901 26.605 ( -0.000 -1.316 -3.175) 3.437 26.748 ( 0.000 -5.052 -1.656) 5.317 27.191 ( 0.000 8.047 3.923) 8.952 27.430 ( 0.000 8.062 -2.478) 8.435 27.505 ( 0.000 0.479 6.099) 6.118 28.079 ( 0.000 -12.067 -8.394) 14.700 ======================= Grid point 90 (36/60) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 0.000 10.915 6.277) 12.591 1.637 ( 0.000 -3.764 3.326) 5.023 1.747 ( 0.000 22.078 5.018) 22.641 2.074 ( 0.000 -1.374 -9.080) 9.183 2.098 ( 0.000 2.225 -9.571) 9.827 2.109 ( 0.000 0.206 -1.970) 1.981 2.263 ( 0.000 3.881 -3.396) 5.157 2.294 ( 0.000 4.713 -10.219) 11.253 2.455 ( 0.000 11.567 2.360) 11.805 2.649 ( 0.000 3.297 3.445) 4.768 2.660 ( 0.000 -7.306 -1.631) 7.486 2.729 ( 0.000 -6.331 -4.686) 7.877 2.768 ( 0.000 -2.487 -3.783) 4.527 2.771 ( 0.000 -1.884 9.092) 9.285 2.783 ( 0.000 -5.369 -0.335) 5.379 2.816 ( 0.000 -7.674 4.315) 8.804 3.135 ( 0.000 1.916 1.569) 2.476 3.169 ( 0.000 -0.025 0.577) 0.578 3.293 ( 0.000 1.988 3.121) 3.701 3.317 ( 0.000 -0.632 2.354) 2.438 3.325 ( 0.000 2.609 4.163) 4.913 3.365 ( 0.000 -1.196 2.762) 3.009 3.578 ( 0.000 1.981 -3.056) 3.642 3.610 ( 0.000 5.719 7.321) 9.290 3.659 ( 0.000 5.186 2.521) 5.766 3.765 ( 0.000 1.295 1.966) 2.354 3.812 ( 0.000 -3.629 2.374) 4.337 3.944 ( 0.000 -12.676 4.039) 13.304 4.081 ( 0.000 9.200 -1.956) 9.406 4.256 ( 0.000 -7.255 -0.980) 7.321 4.393 ( 0.000 3.104 -2.392) 3.918 4.435 ( 0.000 0.072 -3.655) 3.656 4.476 ( 0.000 6.427 0.248) 6.432 4.559 ( 0.000 -1.167 2.000) 2.316 4.593 ( 0.000 -1.541 -4.266) 4.535 4.640 ( 0.000 -8.308 -0.163) 8.310 6.605 ( 0.000 2.980 7.177) 7.771 6.622 ( 0.000 1.068 4.769) 4.888 6.928 ( 0.000 2.883 1.940) 3.475 6.967 ( 0.000 -1.182 0.877) 1.472 6.982 ( 0.000 7.250 -1.736) 7.455 7.151 ( 0.000 -7.884 -0.957) 7.942 7.213 ( 0.000 2.697 -2.154) 3.452 7.246 ( 0.000 2.165 1.440) 2.600 7.258 ( 0.000 -1.809 -1.984) 2.685 7.302 ( 0.000 -3.270 3.508) 4.795 7.461 ( 0.000 5.137 -3.849) 6.419 7.658 ( 0.000 -14.474 -4.770) 15.240 7.940 ( 0.000 2.000 1.238) 2.352 8.003 ( 0.000 -4.230 1.179) 4.391 8.050 ( 0.000 5.406 -1.694) 5.666 8.175 ( 0.000 -6.721 -4.471) 8.072 8.655 ( 0.000 11.552 -0.269) 11.555 8.770 ( 0.000 11.068 -4.965) 12.130 8.791 ( 0.000 -2.427 0.192) 2.434 8.939 ( 0.000 -5.063 -6.418) 8.175 9.394 ( 0.000 4.701 6.608) 8.110 9.608 ( 0.000 -15.888 6.934) 17.335 9.907 ( 0.000 4.121 -7.156) 8.257 10.051 ( 0.000 -10.276 -5.200) 11.516 10.380 ( 0.000 -0.439 5.524) 5.542 10.392 ( 0.000 -1.579 6.683) 6.867 10.529 ( 0.000 3.047 -0.038) 3.047 10.608 ( 0.000 -4.679 -0.636) 4.722 12.068 ( 0.000 10.103 7.454) 12.555 12.259 ( 0.000 -8.339 5.027) 9.737 12.684 ( 0.000 0.627 -9.418) 9.438 12.692 ( 0.000 -0.124 -6.134) 6.135 13.467 ( 0.000 14.366 8.002) 16.444 13.742 ( 0.000 -12.722 6.542) 14.306 14.052 ( 0.000 15.252 -9.163) 17.793 14.330 ( 0.000 -12.109 -10.465) 16.005 14.873 ( 0.000 -1.048 8.808) 8.870 14.873 ( 0.000 -0.564 7.204) 7.226 15.263 ( 0.000 4.347 -4.712) 6.411 15.360 ( 0.000 -5.123 -5.494) 7.512 15.867 ( 0.000 1.029 4.499) 4.615 15.893 ( 0.000 -1.388 6.645) 6.788 16.167 ( 0.000 7.999 -3.420) 8.699 16.316 ( 0.000 -6.510 -4.589) 7.965 23.824 ( 0.000 2.151 1.761) 2.780 23.872 ( 0.000 -2.469 1.224) 2.756 23.958 ( 0.000 1.291 -1.457) 1.946 23.973 ( 0.000 -0.455 -3.121) 3.154 24.160 ( 0.000 0.594 10.857) 10.874 24.177 ( 0.000 -1.003 9.274) 9.328 24.806 ( 0.000 6.113 -7.930) 10.013 24.942 ( 0.000 -6.857 -10.392) 12.450 26.570 ( 0.000 -0.834 2.905) 3.023 26.579 ( 0.000 -1.778 2.184) 2.817 26.732 ( 0.000 0.458 -1.831) 1.888 26.767 ( 0.000 -2.712 -2.411) 3.628 27.213 ( 0.000 3.267 7.357) 8.050 27.246 ( 0.000 0.348 4.680) 4.693 27.592 ( 0.000 7.378 -4.165) 8.472 27.724 ( 0.000 -5.971 -6.074) 8.518 ======================= Grid point 91 (37/60) ======================= q-point: ( 0.12 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 4.063 9.951 5.022) 11.864 1.668 ( 2.883 -3.568 3.062) 5.516 1.826 ( 6.115 20.301 3.724) 21.527 2.003 ( -6.173 6.070 -9.160) 12.604 2.069 ( -1.502 -0.797 -6.488) 6.707 2.150 ( 3.979 -3.258 -2.439) 5.692 2.299 ( 5.210 5.266 -3.018) 7.999 2.428 ( 5.083 1.899 -4.816) 7.255 2.483 ( 4.589 7.845 2.812) 9.514 2.635 ( -0.030 1.398 -0.307) 1.432 2.691 ( -0.839 -0.559 -3.620) 3.758 2.709 ( 2.593 -4.468 -2.921) 5.934 2.778 ( 0.752 -6.877 5.784) 9.017 2.819 ( 4.807 0.561 2.917) 5.651 2.846 ( 4.438 -8.101 -1.035) 9.295 2.895 ( 6.568 -5.997 2.042) 9.125 3.231 ( 5.636 2.337 1.199) 6.218 3.256 ( 5.547 1.111 1.067) 5.757 3.286 ( -0.788 -0.298 4.072) 4.158 3.318 ( 1.144 -1.629 1.223) 2.336 3.375 ( 3.238 3.153 3.013) 5.432 3.388 ( 7.086 0.428 3.156) 7.769 3.558 ( 0.296 2.306 -1.961) 3.041 3.641 ( 0.840 -4.450 -3.103) 5.489 3.696 ( 5.081 13.685 9.727) 17.542 3.832 ( 6.213 2.173 2.475) 7.032 3.889 ( 6.960 -3.687 1.300) 7.983 3.986 ( 3.673 -9.540 2.481) 10.519 4.126 ( 4.816 7.946 -1.002) 9.345 4.304 ( 4.836 -6.965 -1.111) 8.551 4.392 ( 0.345 3.125 -1.842) 3.644 4.437 ( 1.184 1.164 -3.065) 3.486 4.515 ( 3.244 5.124 -0.044) 6.064 4.565 ( 0.439 1.124 2.359) 2.649 4.620 ( 4.538 -4.946 -3.383) 7.516 4.695 ( 4.670 -7.939 -0.626) 9.232 6.523 ( -6.488 4.184 6.018) 9.789 6.572 ( -4.332 -0.638 4.346) 6.169 6.921 ( -4.020 3.675 -4.191) 6.873 6.954 ( -5.439 0.790 -4.183) 6.906 7.011 ( 3.585 3.152 3.750) 6.070 7.068 ( -0.814 -2.428 3.426) 4.277 7.210 ( -1.899 2.785 1.993) 3.916 7.231 ( -0.611 1.668 -1.100) 2.089 7.289 ( 1.674 -2.730 -1.542) 3.554 7.303 ( 0.845 -3.860 2.185) 4.515 7.458 ( -0.936 3.739 -3.352) 5.108 7.634 ( -1.923 -11.573 -5.519) 12.965 7.943 ( 0.032 1.642 1.982) 2.574 8.009 ( 0.446 -4.858 1.221) 5.028 8.059 ( 0.755 3.816 -1.156) 4.058 8.187 ( 0.989 -7.328 -4.083) 8.447 8.669 ( 1.359 12.498 0.274) 12.575 8.814 ( 2.574 2.513 -1.338) 3.837 8.817 ( 3.326 6.280 -2.923) 7.684 8.980 ( 3.681 -4.657 -5.747) 8.262 9.398 ( 0.289 3.566 6.485) 7.406 9.597 ( -1.046 -15.778 6.555) 17.117 9.898 ( -0.805 3.040 -6.701) 7.403 10.033 ( -1.881 -10.629 -5.076) 11.928 10.337 ( -4.089 -0.689 5.064) 6.545 10.341 ( -4.660 -1.011 6.063) 7.714 10.498 ( -3.001 2.278 -0.262) 3.777 10.559 ( -4.684 -3.750 -0.904) 6.068 12.052 ( -1.496 9.935 6.773) 12.116 12.239 ( -1.875 -8.136 4.945) 9.704 12.589 ( -7.412 4.943 -7.429) 11.599 12.680 ( -2.137 -3.888 -6.406) 7.792 13.397 ( -5.969 14.755 7.203) 17.470 13.673 ( -6.011 -12.442 6.424) 15.238 13.979 ( -6.044 14.900 -9.470) 18.661 14.260 ( -6.089 -12.657 -10.400) 17.476 14.914 ( 3.324 -0.152 9.294) 9.872 14.923 ( 4.279 -0.646 8.327) 9.385 15.394 ( 11.078 2.597 -5.502) 12.639 15.454 ( 7.490 -3.064 -6.201) 10.195 15.900 ( 2.668 0.581 5.102) 5.787 15.921 ( 3.184 -1.335 5.382) 6.394 16.181 ( 1.621 6.922 -3.130) 7.768 16.318 ( 0.199 -6.257 -4.445) 7.678 23.823 ( -0.124 2.153 1.808) 2.814 23.871 ( -0.116 -2.484 1.264) 2.789 23.960 ( 0.266 1.309 -1.363) 1.908 23.975 ( 0.163 -0.325 -3.133) 3.154 24.155 ( -0.413 0.689 9.901) 9.934 24.176 ( -0.105 -1.195 9.007) 9.086 24.775 ( -2.958 5.166 -7.477) 9.557 24.880 ( -5.404 -4.731 -9.362) 11.800 26.534 ( -2.786 0.392 2.475) 3.747 26.565 ( -1.583 -2.763 2.488) 4.041 26.709 ( -2.022 0.519 -2.282) 3.093 26.753 ( -1.458 -3.706 -2.313) 4.606 27.238 ( 2.242 4.131 6.453) 7.984 27.288 ( 3.731 -0.515 4.886) 6.169 27.616 ( 1.693 6.329 -4.146) 7.753 27.738 ( 1.470 -5.721 -5.885) 8.338 ======================= Grid point 92 (38/60) ======================= q-point: ( 0.25 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 5.619 7.655 1.955) 9.695 1.742 ( 4.129 -2.810 2.118) 5.425 1.875 ( -4.521 10.232 -6.274) 12.826 1.947 ( 3.175 10.165 0.708) 10.672 2.044 ( 0.116 0.331 -2.431) 2.456 2.228 ( 3.182 -2.993 -1.706) 4.690 2.399 ( 2.738 2.736 1.556) 4.172 2.479 ( 2.734 10.061 1.725) 10.568 2.550 ( -0.500 -4.944 -2.531) 5.577 2.653 ( 2.815 7.270 -0.477) 7.810 2.737 ( 3.791 -3.758 0.595) 5.371 2.784 ( 4.205 3.200 -1.404) 5.467 2.816 ( 4.057 -8.648 1.074) 9.612 2.923 ( 2.916 -7.822 -0.281) 8.353 2.931 ( 5.321 1.038 1.723) 5.689 3.032 ( 5.812 -5.967 1.653) 8.492 3.179 ( -3.827 1.655 3.171) 5.238 3.238 ( -4.082 -3.900 1.025) 5.738 3.341 ( 2.969 2.260 0.954) 3.852 3.404 ( 3.623 -1.620 2.105) 4.492 3.469 ( 1.804 5.582 -1.715) 6.112 3.574 ( 2.023 -3.200 -1.473) 4.063 3.636 ( 12.122 4.268 -0.509) 12.862 3.730 ( 9.241 -4.049 -3.324) 10.622 3.829 ( 7.354 11.139 7.271) 15.199 3.965 ( 4.999 1.231 3.326) 6.129 4.023 ( 4.532 -3.857 1.127) 6.057 4.059 ( 3.847 -3.568 0.601) 5.281 4.279 ( 7.977 6.753 0.479) 10.463 4.409 ( 5.265 0.971 -0.606) 5.388 4.436 ( 2.428 -1.126 -1.793) 3.222 4.489 ( 4.041 -2.530 -1.293) 4.940 4.616 ( 6.883 8.300 2.373) 11.041 4.686 ( 15.477 1.258 0.324) 15.532 4.786 ( 12.018 -6.788 -1.628) 13.898 4.841 ( 10.971 -8.232 -0.874) 13.743 6.392 ( -5.919 5.074 4.148) 8.830 6.473 ( -5.121 -2.692 3.482) 6.753 6.759 ( -10.475 3.850 -4.895) 12.186 6.806 ( -6.902 -0.858 -4.829) 8.467 7.069 ( 1.431 1.521 3.613) 4.173 7.097 ( 0.849 -1.791 3.690) 4.189 7.186 ( -0.173 6.636 1.614) 6.832 7.226 ( 0.215 2.040 -0.789) 2.198 7.306 ( -0.441 -5.630 -1.210) 5.776 7.324 ( 1.442 -4.893 1.784) 5.404 7.430 ( -1.196 6.550 -3.491) 7.518 7.591 ( -2.481 -7.090 -5.031) 9.041 7.934 ( -1.016 1.985 2.628) 3.446 8.012 ( -0.317 -6.030 1.456) 6.211 8.066 ( -0.493 1.381 -0.857) 1.699 8.196 ( -0.588 -8.667 -3.352) 9.311 8.703 ( 1.800 14.450 1.270) 14.617 8.867 ( 2.642 0.535 0.915) 2.847 8.886 ( 2.832 10.425 -3.542) 11.369 9.064 ( 4.114 -4.467 -4.398) 7.498 9.401 ( -0.052 0.646 6.447) 6.479 9.566 ( -1.900 -15.796 5.543) 16.848 9.881 ( -0.776 0.246 -5.678) 5.736 9.979 ( -3.191 -10.258 -5.138) 11.908 10.217 ( -6.740 0.601 4.821) 8.308 10.243 ( -4.948 -2.094 4.382) 6.933 10.420 ( -4.316 0.603 -1.123) 4.500 10.438 ( -6.599 -1.365 -1.572) 6.919 12.015 ( -2.021 9.301 5.314) 10.901 12.190 ( -2.757 -7.619 4.884) 9.460 12.427 ( -7.763 10.131 -5.353) 13.840 12.623 ( -3.092 -8.970 -5.905) 11.175 13.271 ( -5.804 14.887 6.300) 17.175 13.543 ( -6.063 -11.983 6.185) 14.786 13.848 ( -6.364 14.806 -9.748) 18.834 14.129 ( -6.103 -12.692 -10.475) 17.552 14.971 ( 1.915 1.961 9.978) 10.348 15.014 ( 4.014 -1.962 10.399) 11.318 15.574 ( 4.646 4.316 -6.722) 9.241 15.633 ( 9.935 -1.890 -7.469) 12.572 15.961 ( 3.389 2.038 5.723) 6.956 16.017 ( 5.645 -3.403 3.557) 7.490 16.240 ( 4.135 3.080 -2.556) 5.755 16.326 ( 0.631 -4.969 -4.018) 6.421 23.820 ( -0.156 2.114 1.876) 2.831 23.868 ( -0.201 -2.490 1.410) 2.869 23.967 ( 0.279 1.393 -0.854) 1.658 23.979 ( 0.193 -0.067 -3.272) 3.278 24.145 ( -0.512 0.896 7.666) 7.736 24.174 ( -0.102 -1.650 8.305) 8.468 24.698 ( -4.284 3.748 -6.372) 8.545 24.760 ( -5.817 -2.057 -7.717) 9.881 26.476 ( -2.713 1.416 2.357) 3.863 26.527 ( -1.927 -3.661 2.358) 4.762 26.661 ( -2.543 0.575 -2.526) 3.630 26.712 ( -2.402 -4.357 -2.315) 5.488 27.291 ( 2.708 5.753 5.080) 8.139 27.374 ( 4.278 -2.077 4.715) 6.696 27.634 ( 0.002 6.974 -3.904) 7.993 27.782 ( 2.570 -7.598 -5.489) 9.719 ======================= Grid point 93 (39/60) ======================= q-point: ( 0.38 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 3.370 6.270 -1.997) 7.393 1.799 ( -2.410 9.165 -4.126) 10.336 1.818 ( 2.908 -2.158 0.699) 3.688 1.954 ( -1.249 -5.222 -3.031) 6.166 2.119 ( 5.860 8.102 3.481) 10.587 2.265 ( 0.159 -4.325 1.163) 4.481 2.416 ( 0.320 7.206 0.987) 7.280 2.511 ( -2.267 -0.747 -2.738) 3.632 2.543 ( 2.956 12.721 3.274) 13.464 2.726 ( 0.921 -1.714 5.713) 6.035 2.772 ( 3.437 1.335 2.861) 4.667 2.867 ( 1.516 -1.704 0.028) 2.281 2.910 ( 4.279 -4.403 -4.556) 7.645 2.959 ( 0.773 -2.648 -1.082) 2.963 3.002 ( 1.435 -1.059 4.396) 4.744 3.078 ( 0.743 1.218 -1.554) 2.109 3.149 ( -1.185 -5.864 2.470) 6.473 3.209 ( 2.368 -5.556 -1.205) 6.159 3.366 ( -0.578 3.549 -3.753) 5.198 3.457 ( 1.356 -3.437 -2.939) 4.721 3.484 ( 1.191 4.510 3.902) 6.082 3.565 ( -0.873 -1.983 1.461) 2.613 3.849 ( 6.896 2.254 -3.063) 7.875 3.875 ( 4.091 0.548 -3.868) 5.657 3.951 ( 3.154 3.365 3.699) 5.912 4.021 ( 1.607 -0.538 2.802) 3.275 4.078 ( 3.294 0.963 1.223) 3.643 4.149 ( 3.589 -2.559 0.403) 4.427 4.346 ( 0.536 2.552 2.477) 3.596 4.416 ( -2.715 -3.636 2.349) 5.110 4.553 ( 5.789 2.188 -1.957) 6.491 4.579 ( 3.754 -0.318 -1.749) 4.154 4.846 ( 13.036 10.771 4.081) 17.395 5.048 ( 16.611 -1.787 -0.292) 16.709 5.063 ( 14.223 -4.709 0.575) 14.994 5.138 ( 14.970 -4.646 -1.778) 15.775 6.297 ( -3.394 4.554 2.289) 6.123 6.378 ( -4.010 -3.370 2.576) 5.837 6.578 ( -6.836 5.133 -4.446) 9.636 6.682 ( -4.634 -4.657 -5.359) 8.478 7.076 ( -0.162 0.280 3.252) 3.268 7.093 ( -0.747 -2.054 2.987) 3.701 7.191 ( 0.279 8.533 1.948) 8.757 7.234 ( 0.308 1.641 -0.819) 1.860 7.280 ( -1.431 -3.997 -1.689) 4.569 7.350 ( 0.655 -4.832 1.529) 5.111 7.415 ( -0.331 5.153 -3.098) 6.022 7.525 ( -4.062 -3.912 -3.406) 6.588 7.903 ( -1.748 3.054 2.197) 4.149 7.998 ( -0.765 -6.584 1.725) 6.849 8.033 ( -2.511 1.377 -1.012) 3.037 8.168 ( -1.529 -9.760 -2.201) 10.121 8.736 ( 1.372 16.003 1.708) 16.152 8.911 ( 1.680 5.411 -0.144) 5.667 8.928 ( 1.276 8.209 -0.991) 8.366 9.130 ( 2.233 -5.040 -3.511) 6.536 9.394 ( -0.519 -2.257 6.769) 7.154 9.529 ( -1.635 -16.565 4.515) 17.247 9.868 ( -0.426 -2.925 -5.094) 5.889 9.917 ( -2.778 -8.477 -5.555) 10.509 10.098 ( -4.483 2.673 3.828) 6.473 10.160 ( -2.949 -3.859 4.172) 6.403 10.323 ( -4.079 1.058 -2.461) 4.880 10.343 ( -3.134 -0.890 -1.743) 3.695 11.979 ( -1.368 8.399 3.977) 9.393 12.139 ( -2.044 -7.107 5.080) 8.972 12.301 ( -4.414 13.315 -4.211) 14.646 12.569 ( -2.000 -12.885 -5.767) 14.258 13.181 ( -3.018 14.774 5.912) 16.197 13.448 ( -3.184 -11.651 6.002) 13.488 13.740 ( -4.015 15.708 -9.421) 18.751 14.032 ( -3.321 -12.969 -10.537) 17.037 14.992 ( 0.374 3.675 10.049) 10.707 15.071 ( 1.685 -3.783 11.917) 12.616 15.622 ( 0.795 10.565 -7.210) 12.815 15.781 ( 4.581 -4.578 -8.358) 10.573 16.025 ( 2.603 3.555 5.282) 6.878 16.120 ( 3.976 -5.492 3.150) 7.476 16.326 ( 3.683 -0.769 -2.326) 4.423 16.343 ( 0.921 -2.560 -3.502) 4.434 23.817 ( -0.093 2.021 1.855) 2.745 23.864 ( -0.162 -2.463 1.657) 2.973 23.970 ( 0.081 1.624 0.007) 1.626 23.983 ( 0.158 0.026 -3.562) 3.566 24.137 ( -0.310 1.073 5.517) 5.629 24.172 ( -0.048 -2.078 7.531) 7.813 24.625 ( -2.502 2.668 -5.455) 6.567 24.661 ( -3.819 -0.793 -6.574) 7.644 26.432 ( -1.503 1.948 2.302) 3.369 26.495 ( -1.096 -4.328 2.242) 4.996 26.616 ( -1.705 0.846 -2.512) 3.152 26.668 ( -1.696 -4.197 -2.169) 5.020 27.337 ( 1.693 7.009 3.995) 8.244 27.445 ( 2.600 -3.349 4.399) 6.110 27.625 ( -0.595 9.243 -3.427) 9.875 27.824 ( 1.431 -10.390 -5.173) 11.695 ======================= Grid point 94 (40/60) ======================= q-point: (-0.50 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 0.000 6.396 -3.569) 7.325 1.777 ( 0.000 8.621 -3.640) 9.358 1.849 ( 0.000 -2.338 -0.080) 2.340 1.938 ( 0.000 -7.040 -2.836) 7.590 2.223 ( -0.000 1.481 5.431) 5.629 2.228 ( 0.000 0.583 2.218) 2.293 2.430 ( -0.000 6.014 -4.694) 7.629 2.475 ( 0.000 5.224 1.862) 5.546 2.582 ( -0.000 11.398 4.532) 12.266 2.712 ( 0.000 1.961 9.426) 9.628 2.844 ( 0.000 -3.100 -0.003) 3.100 2.861 ( -0.000 -4.674 -0.298) 4.684 2.943 ( 0.000 0.898 -1.054) 1.385 2.967 ( -0.000 -2.299 -3.062) 3.829 3.014 ( -0.000 -1.708 5.261) 5.531 3.094 ( -0.000 1.680 -3.118) 3.541 3.142 ( 0.000 -7.158 0.476) 7.174 3.241 ( 0.000 -6.861 -3.318) 7.621 3.350 ( 0.000 4.962 -3.932) 6.331 3.464 ( 0.000 -5.259 -5.932) 7.928 3.510 ( -0.000 3.375 7.121) 7.880 3.551 ( 0.000 1.056 3.097) 3.272 3.907 ( 0.000 4.129 -1.760) 4.488 3.924 ( -0.000 0.815 -4.334) 4.410 3.968 ( 0.000 -1.055 1.187) 1.588 4.030 ( 0.000 -4.345 2.700) 5.116 4.160 ( -0.000 1.857 -1.111) 2.164 4.166 ( 0.000 1.773 -0.100) 1.776 4.348 ( -0.000 0.272 5.199) 5.206 4.375 ( 0.000 -1.879 3.944) 4.368 4.611 ( -0.000 0.196 -2.356) 2.364 4.619 ( 0.000 -0.017 -2.089) 2.089 5.000 ( 0.000 10.564 4.844) 11.622 5.210 ( 0.000 -9.641 2.305) 9.912 5.282 ( -0.001 0.293 -2.562) 2.579 5.283 ( 0.001 1.022 -0.603) 1.187 6.262 ( 0.000 3.835 1.269) 4.040 6.332 ( 0.000 -3.172 2.216) 3.869 6.505 ( 0.000 5.609 -4.398) 7.128 6.636 ( 0.000 -6.422 -6.026) 8.807 7.076 ( 0.000 -0.347 3.553) 3.570 7.081 ( -0.000 -1.620 2.849) 3.278 7.194 ( 0.000 8.606 2.155) 8.872 7.236 ( 0.000 1.920 -0.640) 2.023 7.263 ( -0.000 -2.551 -2.100) 3.304 7.354 ( 0.000 -4.926 1.362) 5.111 7.426 ( 0.000 0.286 -4.201) 4.211 7.458 ( 0.000 -0.915 -1.286) 1.578 7.882 ( 0.000 3.885 1.725) 4.251 7.991 ( -0.000 -7.718 2.187) 8.022 7.998 ( 0.000 4.070 -1.155) 4.231 8.152 ( 0.000 -10.598 -1.707) 10.735 8.751 ( 0.000 16.603 1.664) 16.686 8.933 ( -0.000 14.160 -3.641) 14.620 8.936 ( 0.000 0.466 2.966) 3.003 9.152 ( 0.000 -5.437 -3.271) 6.345 9.388 ( 0.000 -3.309 6.980) 7.724 9.510 ( 0.000 -17.267 4.133) 17.755 9.873 ( -0.000 -4.927 -5.235) 7.188 9.876 ( 0.000 -6.911 -5.659) 8.932 10.052 ( 0.000 3.704 3.516) 5.107 10.130 ( 0.000 -4.485 4.218) 6.157 10.283 ( -0.000 1.604 -2.991) 3.394 10.308 ( 0.000 -1.118 -1.731) 2.060 11.965 ( 0.000 7.950 3.412) 8.651 12.117 ( 0.000 -6.908 5.263) 8.684 12.256 ( 0.000 14.346 -3.930) 14.874 12.549 ( 0.000 -14.335 -5.761) 15.449 13.151 ( 0.000 14.747 5.786) 15.841 13.417 ( 0.000 -11.519 5.934) 12.958 13.698 ( 0.000 16.312 -9.141) 18.699 13.998 ( 0.000 -13.247 -10.522) 16.917 14.994 ( 0.000 4.240 9.975) 10.839 15.087 ( 0.000 -4.539 12.403) 13.207 15.627 ( 0.000 12.816 -7.277) 14.738 15.825 ( 0.000 -5.686 -8.635) 10.338 16.053 ( 0.000 4.042 5.075) 6.488 16.162 ( 0.000 -6.241 3.079) 6.959 16.354 ( 0.000 -1.254 -3.317) 3.546 16.366 ( 0.000 -2.044 -2.284) 3.065 23.816 ( 0.000 1.967 1.811) 2.674 23.862 ( 0.000 -2.441 1.801) 3.033 23.971 ( 0.000 1.764 0.374) 1.803 23.984 ( 0.000 0.017 -3.646) 3.646 24.133 ( 0.000 1.139 4.649) 4.787 24.172 ( 0.000 -2.243 7.193) 7.534 24.604 ( 0.000 1.431 -4.979) 5.180 24.617 ( -0.000 0.379 -6.320) 6.332 26.417 ( 0.000 2.120 2.278) 3.112 26.484 ( 0.000 -4.578 2.203) 5.081 26.598 ( 0.000 0.998 -2.478) 2.671 26.650 ( 0.000 -4.056 -2.073) 4.555 27.354 ( 0.000 7.457 3.589) 8.275 27.472 ( 0.000 -3.853 4.268) 5.750 27.618 ( 0.000 10.268 -3.207) 10.757 27.839 ( 0.000 -11.482 -5.039) 12.540 ======================= Grid point 126 (41/60) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 0.000 0.000 23.692) 23.692 1.012 ( 0.000 0.000 27.098) 27.098 1.336 ( 0.000 0.000 -16.854) 16.854 1.482 ( 0.000 0.000 -24.368) 24.368 1.545 ( 0.000 0.000 13.979) 13.979 1.650 ( 0.000 0.000 -2.274) 2.274 1.816 ( 0.000 0.000 9.796) 9.796 1.979 ( 0.000 0.000 -7.903) 7.903 2.007 ( 0.000 0.000 27.646) 27.646 2.552 ( 0.000 0.000 -26.978) 26.978 2.888 ( 0.000 0.000 -1.887) 1.887 2.889 ( 0.000 0.000 -1.967) 1.967 2.938 ( 0.000 0.000 7.685) 7.685 3.038 ( 0.000 0.000 -4.271) 4.271 3.053 ( 0.000 0.000 5.584) 5.584 3.147 ( 0.000 0.000 4.439) 4.439 3.152 ( 0.000 0.000 -0.385) 0.385 3.190 ( 0.000 0.000 -1.557) 1.557 3.234 ( 0.000 0.000 0.647) 0.647 3.257 ( 0.000 0.000 -1.996) 1.996 3.355 ( 0.000 0.000 -0.041) 0.041 3.475 ( 0.000 0.000 -10.611) 10.611 3.558 ( 0.000 0.000 5.270) 5.270 3.643 ( 0.000 0.000 -3.694) 3.694 3.825 ( 0.000 0.000 16.887) 16.887 3.948 ( 0.000 0.000 6.878) 6.878 4.082 ( 0.000 0.000 -3.834) 3.834 4.125 ( 0.000 0.000 -9.563) 9.563 4.168 ( 0.000 0.000 4.955) 4.955 4.210 ( 0.000 0.000 1.409) 1.409 4.217 ( 0.000 0.000 -1.081) 1.081 4.258 ( 0.000 0.000 -2.867) 2.867 4.296 ( 0.000 0.000 3.915) 3.915 4.437 ( 0.000 0.000 -12.862) 12.862 4.844 ( 0.000 0.000 6.116) 6.116 4.964 ( 0.000 0.000 -7.017) 7.017 6.295 ( 0.000 0.000 4.072) 4.072 6.371 ( 0.000 0.000 -4.025) 4.025 6.594 ( 0.000 0.000 5.335) 5.335 6.687 ( 0.000 0.000 -4.795) 4.795 6.797 ( 0.000 0.000 6.631) 6.631 6.923 ( 0.000 0.000 -6.884) 6.884 7.126 ( 0.000 0.000 3.768) 3.768 7.193 ( 0.000 0.000 -3.325) 3.325 7.483 ( 0.000 0.000 1.140) 1.140 7.503 ( 0.000 0.000 -1.181) 1.181 7.904 ( 0.000 0.000 0.452) 0.452 7.909 ( 0.000 0.000 -0.134) 0.134 8.086 ( 0.000 0.000 4.800) 4.800 8.136 ( 0.000 0.000 7.676) 7.676 8.175 ( 0.000 0.000 -4.960) 4.960 8.204 ( 0.000 0.000 1.864) 1.864 8.452 ( 0.000 0.000 -1.294) 1.294 8.531 ( 0.000 0.000 -8.093) 8.093 8.932 ( 0.000 0.000 1.074) 1.074 8.948 ( 0.000 0.000 -0.631) 0.631 9.493 ( 0.000 0.000 8.161) 8.161 9.658 ( 0.000 0.000 -9.526) 9.526 10.277 ( 0.000 0.000 0.538) 0.538 10.288 ( 0.000 0.000 -0.604) 0.604 10.610 ( 0.000 0.000 2.220) 2.220 10.647 ( 0.000 0.000 -1.721) 1.721 10.659 ( 0.000 0.000 7.937) 7.937 10.782 ( 0.000 0.000 -5.393) 5.393 12.364 ( 0.000 0.000 1.320) 1.320 12.391 ( 0.000 0.000 -1.552) 1.552 12.557 ( 0.000 0.000 3.304) 3.304 12.619 ( 0.000 0.000 -3.287) 3.287 12.812 ( 0.000 0.000 9.886) 9.886 12.995 ( 0.000 0.000 -9.651) 9.651 14.329 ( 0.000 0.000 9.270) 9.270 14.521 ( 0.000 0.000 -11.224) 11.224 14.922 ( 0.000 0.000 5.107) 5.107 15.027 ( 0.000 0.000 -6.374) 6.374 15.556 ( 0.000 0.000 1.648) 1.648 15.592 ( 0.000 0.000 -2.273) 2.273 15.866 ( 0.000 0.000 0.567) 0.567 15.869 ( 0.000 0.000 0.204) 0.204 16.162 ( 0.000 0.000 12.234) 12.234 16.364 ( 0.000 0.000 -9.643) 9.643 23.835 ( 0.000 0.000 4.510) 4.510 23.922 ( 0.000 0.000 -4.821) 4.821 23.966 ( 0.000 0.000 0.919) 0.919 23.997 ( 0.000 0.000 -2.568) 2.568 24.348 ( 0.000 0.000 8.445) 8.445 24.503 ( 0.000 0.000 -8.177) 8.177 24.517 ( 0.000 0.000 4.521) 4.521 24.584 ( 0.000 0.000 -2.794) 2.794 26.737 ( 0.000 0.000 4.599) 4.599 26.828 ( 0.000 0.000 -5.149) 5.149 26.930 ( 0.000 0.000 1.836) 1.836 26.947 ( 0.000 0.000 0.332) 0.332 26.990 ( 0.000 0.000 -0.898) 0.898 26.995 ( 0.000 0.000 -1.094) 1.094 27.626 ( 0.000 0.000 5.424) 5.424 27.723 ( 0.000 0.000 -4.975) 4.975 ======================= Grid point 127 (42/60) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 11.458 0.000 19.153) 22.319 1.120 ( 7.931 0.000 17.271) 19.004 1.383 ( 4.711 0.000 -11.995) 12.887 1.394 ( -4.073 0.000 -11.809) 12.491 1.734 ( 12.403 0.000 5.645) 13.627 1.823 ( 2.472 0.000 11.042) 11.315 1.871 ( 15.113 0.000 -9.625) 17.918 1.989 ( 1.100 0.000 -8.065) 8.139 2.131 ( 15.010 0.000 31.498) 34.891 2.654 ( 9.152 0.000 -23.115) 24.861 2.825 ( -4.504 0.000 1.806) 4.852 2.872 ( -2.121 0.000 -3.807) 4.358 2.975 ( 1.135 0.000 -0.161) 1.147 3.004 ( -1.984 0.000 -2.416) 3.126 3.094 ( 5.504 0.000 4.687) 7.229 3.166 ( 2.014 0.000 6.311) 6.625 3.172 ( -0.298 0.000 -3.580) 3.592 3.209 ( 2.827 0.000 6.855) 7.415 3.317 ( 4.449 0.000 0.030) 4.450 3.337 ( 5.907 0.000 -1.113) 6.010 3.353 ( 3.105 0.000 -1.592) 3.489 3.470 ( 1.361 0.000 -9.715) 9.809 3.653 ( 5.628 0.000 2.326) 6.090 3.655 ( -3.674 0.000 5.610) 6.706 3.870 ( -5.811 0.000 3.146) 6.608 3.883 ( -4.769 0.000 2.749) 5.505 3.928 ( 8.939 0.000 6.343) 10.961 4.089 ( -3.005 0.000 -4.327) 5.268 4.172 ( 3.100 0.000 -3.365) 4.575 4.190 ( -0.199 0.000 -1.619) 1.631 4.265 ( 4.311 0.000 4.710) 6.385 4.318 ( 4.209 0.000 1.498) 4.467 4.444 ( 7.133 0.000 -4.189) 8.272 4.508 ( 6.944 0.000 -9.536) 11.796 4.856 ( 1.210 0.000 5.780) 5.905 4.976 ( 1.302 0.000 -7.233) 7.349 6.258 ( -2.987 0.000 4.821) 5.672 6.344 ( -2.216 0.000 -4.511) 5.026 6.594 ( -0.219 0.000 5.429) 5.434 6.687 ( -0.148 0.000 -4.730) 4.732 6.785 ( -1.172 0.000 6.438) 6.544 6.910 ( -1.344 0.000 -6.807) 6.938 7.148 ( 2.039 0.000 3.162) 3.763 7.203 ( 1.021 0.000 -2.733) 2.917 7.489 ( -2.155 0.000 1.813) 2.816 7.507 ( 1.016 0.000 -0.730) 1.251 7.796 ( -4.988 0.000 3.188) 5.920 7.833 ( -4.648 0.000 -0.973) 4.749 8.029 ( -3.168 0.000 5.751) 6.565 8.109 ( -1.422 0.000 -0.739) 1.603 8.247 ( 4.073 0.000 7.074) 8.163 8.317 ( 7.335 0.000 3.352) 8.064 8.603 ( 6.078 0.000 -6.552) 8.937 8.643 ( 10.426 0.000 -13.646) 17.173 8.919 ( -1.142 0.000 -0.400) 1.210 8.921 ( -2.641 0.000 -0.151) 2.645 9.509 ( 1.571 0.000 7.810) 7.967 9.663 ( 0.793 0.000 -8.770) 8.806 10.257 ( -1.680 0.000 0.268) 1.701 10.264 ( -2.178 0.000 -0.401) 2.214 10.579 ( -7.327 0.000 6.713) 9.937 10.612 ( -0.566 0.000 2.113) 2.188 10.670 ( 1.516 0.000 -1.434) 2.087 10.708 ( -6.385 0.000 -4.529) 7.828 12.124 ( -14.744 0.000 5.522) 15.744 12.196 ( -12.545 0.000 -2.982) 12.894 12.658 ( 3.070 0.000 6.694) 7.365 12.721 ( -4.762 0.000 8.108) 9.403 12.767 ( 5.396 0.000 -4.022) 6.730 12.896 ( -7.044 0.000 -9.480) 11.811 14.257 ( -6.658 0.000 10.173) 12.158 14.470 ( -5.663 0.000 -12.856) 14.048 14.995 ( 6.563 0.000 5.905) 8.828 15.081 ( 3.354 0.000 -2.152) 3.985 15.486 ( -6.380 0.000 1.591) 6.576 15.540 ( -2.926 0.000 -5.118) 5.895 15.983 ( 10.105 0.000 0.346) 10.111 15.987 ( 10.627 0.000 -0.180) 10.628 16.178 ( 0.819 0.000 11.432) 11.461 16.369 ( 0.283 0.000 -9.266) 9.270 23.834 ( -0.165 0.000 4.424) 4.427 23.919 ( -0.394 0.000 -4.691) 4.708 23.963 ( -0.139 0.000 0.535) 0.553 23.977 ( -1.520 0.000 -0.675) 1.663 24.332 ( -2.339 0.000 7.863) 8.204 24.423 ( -5.655 0.000 9.666) 11.198 24.458 ( -3.688 0.000 -5.662) 6.757 24.575 ( -1.197 0.000 -7.279) 7.377 26.623 ( -6.355 0.000 2.850) 6.965 26.677 ( -6.133 0.000 -3.130) 6.886 26.942 ( -1.621 0.000 1.525) 2.226 26.971 ( -1.501 0.000 -1.523) 2.138 27.107 ( 10.497 0.000 4.412) 11.386 27.147 ( 5.094 0.000 1.389) 5.280 27.663 ( -4.817 0.000 -1.463) 5.034 27.707 ( 8.208 0.000 -8.358) 11.714 ======================= Grid point 128 (43/60) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 4.172 0.000 5.005) 6.516 1.336 ( 0.324 0.000 -3.538) 3.552 1.384 ( 14.961 0.000 10.111) 18.058 1.533 ( 10.189 0.000 -2.734) 10.550 1.839 ( 4.281 0.000 11.316) 12.099 1.988 ( 9.136 0.000 6.573) 11.255 2.027 ( 2.545 0.000 -7.091) 7.534 2.150 ( 12.078 0.000 -11.177) 16.456 2.577 ( 21.459 0.000 16.613) 27.138 2.697 ( -6.470 0.000 0.980) 6.544 2.795 ( -3.726 0.000 -2.503) 4.488 2.837 ( 3.694 0.000 -3.785) 5.289 2.977 ( -2.576 0.000 1.151) 2.822 3.012 ( 4.426 0.000 -3.813) 5.842 3.110 ( -2.262 0.000 2.957) 3.723 3.125 ( -2.313 0.000 1.180) 2.596 3.265 ( 1.383 0.000 5.676) 5.842 3.334 ( 10.201 0.000 -2.259) 10.448 3.382 ( 2.822 0.000 -0.911) 2.966 3.388 ( -0.985 0.000 0.873) 1.316 3.493 ( 6.498 0.000 5.696) 8.641 3.592 ( 10.898 0.000 -6.754) 12.821 3.597 ( 2.057 0.000 1.332) 2.451 3.698 ( 0.065 0.000 -6.846) 6.847 3.832 ( 2.494 0.000 1.223) 2.778 3.848 ( 2.976 0.000 -1.269) 3.235 4.032 ( -1.368 0.000 0.240) 1.389 4.046 ( 0.521 0.000 -1.522) 1.609 4.274 ( 3.070 0.000 2.358) 3.871 4.309 ( 6.554 0.000 -0.572) 6.578 4.400 ( 9.792 0.000 1.688) 9.936 4.422 ( 5.847 0.000 1.643) 6.073 4.599 ( 11.965 0.000 1.616) 12.073 4.722 ( 13.426 0.000 -8.495) 15.888 4.900 ( 4.133 0.000 4.376) 6.019 5.027 ( 4.127 0.000 -8.459) 9.412 6.205 ( -1.820 0.000 5.385) 5.684 6.301 ( -1.765 0.000 -4.923) 5.230 6.581 ( -1.081 0.000 5.984) 6.081 6.678 ( -0.774 0.000 -4.722) 4.785 6.750 ( -2.229 0.000 5.919) 6.324 6.870 ( -2.495 0.000 -6.717) 7.165 7.201 ( 3.076 0.000 1.814) 3.571 7.232 ( 1.880 0.000 -1.550) 2.437 7.419 ( -3.717 0.000 4.562) 5.885 7.482 ( -3.019 0.000 -3.177) 4.383 7.757 ( -0.074 0.000 1.312) 1.314 7.778 ( -0.876 0.000 -0.682) 1.110 7.990 ( -0.780 0.000 6.290) 6.338 8.096 ( 0.059 0.000 -3.990) 3.990 8.264 ( -3.380 0.000 14.221) 14.617 8.448 ( 4.635 0.000 0.075) 4.636 8.718 ( -1.892 0.000 -9.237) 9.429 8.724 ( 4.435 0.000 -5.751) 7.263 8.853 ( -2.891 0.000 -0.776) 2.994 8.870 ( -4.443 0.000 -3.969) 5.957 9.554 ( 2.800 0.000 7.677) 8.171 9.700 ( 2.831 0.000 -7.940) 8.430 10.214 ( -2.445 0.000 0.428) 2.482 10.226 ( -1.111 0.000 -1.077) 1.547 10.381 ( -11.515 0.000 6.193) 13.074 10.480 ( -11.027 0.000 -4.451) 11.892 10.654 ( 0.299 0.000 2.691) 2.707 10.695 ( 0.666 0.000 -1.849) 1.965 11.900 ( -7.112 0.000 6.090) 9.363 11.987 ( -7.577 0.000 -3.908) 8.525 12.570 ( -7.450 0.000 8.227) 11.099 12.631 ( -4.256 0.000 7.734) 8.828 12.791 ( -3.871 0.000 -6.153) 7.269 12.872 ( 3.140 0.000 -8.824) 9.366 14.105 ( -7.434 0.000 10.848) 13.151 14.329 ( -7.069 0.000 -13.364) 15.118 15.075 ( -3.595 0.000 5.429) 6.511 15.112 ( 2.297 0.000 2.090) 3.105 15.364 ( -3.128 0.000 7.126) 7.782 15.553 ( 3.778 0.000 -12.226) 12.796 16.176 ( 0.274 0.000 10.469) 10.473 16.208 ( 10.892 0.000 0.558) 10.906 16.224 ( 10.323 0.000 0.017) 10.323 16.368 ( -0.445 0.000 -8.998) 9.009 23.827 ( -0.512 0.000 3.941) 3.974 23.904 ( -0.944 0.000 -4.422) 4.521 23.958 ( -0.199 0.000 2.852) 2.859 23.968 ( 0.696 0.000 0.493) 0.853 24.245 ( -4.588 0.000 7.599) 8.877 24.373 ( -0.662 0.000 8.268) 8.295 24.381 ( -3.606 0.000 -6.083) 7.072 24.535 ( -2.558 0.000 -9.126) 9.477 26.526 ( -3.355 0.000 3.488) 4.840 26.600 ( -2.335 0.000 -4.592) 5.152 26.895 ( -2.872 0.000 1.636) 3.305 26.924 ( -2.839 0.000 -1.559) 3.239 27.160 ( -1.784 0.000 6.906) 7.133 27.246 ( 1.858 0.000 -1.756) 2.556 27.606 ( 0.836 0.000 11.037) 11.069 27.893 ( 8.618 0.000 -19.408) 21.235 ======================= Grid point 129 (44/60) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 0.740 0.000 2.007) 2.139 1.324 ( -0.318 0.000 -1.625) 1.656 1.719 ( 15.785 0.000 3.986) 16.280 1.762 ( 11.121 0.000 0.072) 11.121 1.935 ( 4.168 0.000 9.669) 10.529 2.080 ( 2.358 0.000 -5.543) 6.024 2.181 ( 10.153 0.000 9.121) 13.648 2.366 ( 9.486 0.000 -10.594) 14.220 2.536 ( -9.048 0.000 3.614) 9.743 2.611 ( -6.919 0.000 -3.892) 7.939 2.750 ( -9.526 0.000 8.382) 12.689 2.825 ( -3.668 0.000 -1.344) 3.907 3.064 ( 9.248 0.000 4.459) 10.267 3.068 ( -2.338 0.000 0.444) 2.380 3.124 ( 5.101 0.000 1.451) 5.304 3.147 ( 5.268 0.000 -5.494) 7.612 3.270 ( -0.386 0.000 7.622) 7.632 3.303 ( -4.444 0.000 4.483) 6.312 3.412 ( 0.555 0.000 -1.000) 1.144 3.487 ( 4.416 0.000 -8.486) 9.566 3.516 ( -1.544 0.000 4.045) 4.329 3.624 ( -2.598 0.000 -6.744) 7.228 3.777 ( 11.081 0.000 4.877) 12.107 3.851 ( 3.830 0.000 -1.185) 4.009 3.885 ( 0.304 0.000 0.534) 0.615 3.931 ( 5.295 0.000 -4.886) 7.204 4.115 ( 7.770 0.000 0.105) 7.770 4.149 ( 12.992 0.000 -4.383) 13.711 4.295 ( 0.132 0.000 3.681) 3.683 4.340 ( -1.787 0.000 0.170) 1.795 4.479 ( 0.220 0.000 5.519) 5.524 4.563 ( 4.664 0.000 -3.422) 5.784 4.898 ( 13.939 0.000 1.736) 14.046 4.900 ( 5.200 0.000 5.391) 7.490 5.096 ( 11.579 0.000 -7.800) 13.962 5.135 ( 4.969 0.000 -8.967) 10.252 6.189 ( 0.010 0.000 5.204) 5.204 6.280 ( -0.363 0.000 -4.591) 4.606 6.556 ( -1.153 0.000 6.625) 6.725 6.659 ( -0.958 0.000 -4.656) 4.754 6.705 ( -1.940 0.000 5.387) 5.725 6.821 ( -2.057 0.000 -6.807) 7.111 7.264 ( 0.221 0.000 0.485) 0.533 7.265 ( 2.660 0.000 0.244) 2.671 7.402 ( 3.784 0.000 3.237) 4.979 7.446 ( 1.300 0.000 -1.938) 2.333 7.758 ( -0.298 0.000 0.402) 0.501 7.764 ( -1.441 0.000 0.105) 1.445 7.977 ( -1.359 0.000 5.561) 5.725 8.074 ( -6.542 0.000 -1.875) 6.806 8.141 ( -3.236 0.000 11.626) 12.068 8.425 ( -7.463 0.000 -14.602) 16.399 8.671 ( -0.438 0.000 5.652) 5.669 8.714 ( -2.935 0.000 0.903) 3.071 8.781 ( -2.888 0.000 0.227) 2.896 8.884 ( 3.767 0.000 -9.139) 9.885 9.610 ( 2.375 0.000 8.311) 8.644 9.765 ( 3.042 0.000 -8.205) 8.751 10.151 ( -7.423 0.000 6.034) 9.566 10.186 ( -2.959 0.000 1.740) 3.433 10.214 ( -0.321 0.000 -2.746) 2.765 10.271 ( -8.345 0.000 -5.536) 10.015 10.662 ( 0.247 0.000 2.820) 2.831 10.694 ( -0.556 0.000 -0.809) 0.982 11.818 ( -1.841 0.000 4.112) 4.505 11.889 ( -2.626 0.000 -3.708) 4.543 12.454 ( -3.763 0.000 8.487) 9.284 12.567 ( -1.070 0.000 3.801) 3.949 12.699 ( -5.316 0.000 0.981) 5.406 12.897 ( -0.176 0.000 -12.875) 12.876 13.986 ( -4.055 0.000 11.244) 11.953 14.218 ( -3.644 0.000 -13.870) 14.341 14.995 ( -3.348 0.000 4.719) 5.786 15.063 ( -4.272 0.000 -2.654) 5.029 15.390 ( 3.113 0.000 13.631) 13.982 15.633 ( 3.204 0.000 -12.181) 12.595 16.164 ( -0.686 0.000 11.225) 11.246 16.354 ( -0.407 0.000 -8.954) 8.963 16.387 ( 6.038 0.000 0.512) 6.060 16.401 ( 6.282 0.000 -0.879) 6.344 23.816 ( -0.497 0.000 3.369) 3.406 23.889 ( -0.501 0.000 -4.602) 4.629 23.960 ( 0.212 0.000 6.086) 6.089 23.986 ( 0.944 0.000 1.207) 1.532 24.176 ( -2.278 0.000 4.295) 4.862 24.323 ( -1.950 0.000 -9.138) 9.344 24.366 ( -0.168 0.000 6.612) 6.614 24.484 ( -2.230 0.000 -6.510) 6.881 26.479 ( -1.479 0.000 4.375) 4.619 26.567 ( -1.082 0.000 -5.197) 5.308 26.840 ( -2.190 0.000 1.568) 2.693 26.869 ( -2.314 0.000 -1.521) 2.769 27.123 ( -1.379 0.000 6.271) 6.421 27.224 ( -2.095 0.000 -4.638) 5.090 27.666 ( 3.332 0.000 17.768) 18.078 28.026 ( 4.393 0.000 -20.745) 21.205 ======================= Grid point 130 (45/60) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 0.000 0.000 1.944) 1.944 1.321 ( 0.000 0.000 -0.976) 0.976 1.897 ( -0.000 0.000 0.862) 0.862 1.919 ( -0.000 0.000 -0.993) 0.993 1.979 ( 0.000 0.000 8.378) 8.378 2.106 ( 0.000 0.000 -4.889) 4.889 2.333 ( 0.000 0.000 8.148) 8.148 2.406 ( 0.000 0.000 6.843) 6.843 2.488 ( -0.000 0.000 -9.095) 9.095 2.519 ( 0.000 0.000 -4.351) 4.351 2.596 ( 0.000 0.000 13.491) 13.491 2.758 ( 0.000 0.000 -4.328) 4.328 3.045 ( 0.000 0.000 1.448) 1.448 3.133 ( 0.000 0.000 -7.388) 7.388 3.193 ( -0.000 0.000 3.835) 3.835 3.239 ( 0.000 0.000 5.764) 5.764 3.246 ( -0.000 0.000 -3.120) 3.120 3.259 ( 0.000 0.000 5.344) 5.344 3.413 ( 0.000 0.000 1.696) 1.696 3.495 ( 0.000 0.000 2.473) 2.473 3.543 ( -0.000 0.000 -9.693) 9.693 3.583 ( 0.000 0.000 -6.538) 6.538 3.861 ( 0.000 0.000 1.147) 1.147 3.876 ( 0.000 0.000 0.188) 0.188 3.908 ( 0.000 0.000 6.020) 6.020 4.005 ( 0.000 0.000 -3.971) 3.971 4.263 ( 0.000 0.000 2.556) 2.556 4.265 ( 0.000 0.000 3.187) 3.187 4.271 ( -0.000 0.000 1.915) 1.915 4.357 ( 0.000 0.000 -6.503) 6.503 4.467 ( 0.000 0.000 7.171) 7.171 4.589 ( -0.000 0.000 -6.521) 6.521 4.970 ( 0.000 0.000 9.819) 9.819 5.083 ( 0.000 0.000 2.329) 2.329 5.160 ( -0.000 0.000 -10.430) 10.430 5.217 ( 0.000 0.000 -11.300) 11.300 6.191 ( 0.000 0.000 5.000) 5.000 6.278 ( 0.000 0.000 -4.300) 4.300 6.543 ( 0.000 0.000 6.884) 6.884 6.647 ( 0.000 0.000 -4.559) 4.559 6.683 ( 0.000 0.000 5.206) 5.206 6.799 ( 0.000 0.000 -6.947) 6.947 7.257 ( 0.000 0.000 2.005) 2.005 7.287 ( 0.000 0.000 -1.412) 1.412 7.496 ( 0.000 0.000 2.302) 2.302 7.519 ( 0.000 0.000 -0.186) 0.186 7.711 ( 0.000 0.000 3.813) 3.813 7.742 ( 0.000 0.000 -0.598) 0.598 7.940 ( 0.000 0.000 3.692) 3.692 7.952 ( 0.000 0.000 4.671) 4.671 8.135 ( 0.000 0.000 1.205) 1.205 8.317 ( 0.000 0.000 -15.030) 15.030 8.671 ( 0.000 0.000 5.786) 5.786 8.681 ( 0.000 0.000 1.742) 1.742 8.759 ( 0.000 0.000 4.193) 4.193 8.928 ( 0.000 0.000 -10.683) 10.683 9.636 ( 0.000 0.000 8.711) 8.711 9.798 ( 0.000 0.000 -8.699) 8.699 10.058 ( 0.000 0.000 6.987) 6.987 10.167 ( 0.000 0.000 1.683) 1.683 10.180 ( 0.000 0.000 -6.044) 6.044 10.213 ( 0.000 0.000 -3.341) 3.341 10.664 ( 0.000 0.000 2.427) 2.427 10.686 ( 0.000 0.000 -0.012) 0.012 11.802 ( 0.000 0.000 3.257) 3.257 11.865 ( 0.000 0.000 -3.524) 3.524 12.418 ( 0.000 0.000 8.956) 8.956 12.593 ( -0.000 0.000 -9.927) 9.927 12.603 ( 0.000 0.000 15.989) 15.989 12.890 ( 0.000 0.000 -14.888) 14.888 13.945 ( 0.000 0.000 11.459) 11.459 14.182 ( 0.000 0.000 -14.164) 14.164 14.960 ( 0.000 0.000 3.701) 3.701 15.014 ( 0.000 0.000 -2.208) 2.208 15.426 ( 0.000 0.000 13.990) 13.990 15.666 ( 0.000 0.000 -11.560) 11.560 16.156 ( 0.000 0.000 11.181) 11.181 16.347 ( 0.000 0.000 -9.193) 9.193 16.451 ( 0.000 0.000 0.704) 0.704 16.465 ( 0.000 0.000 -0.899) 0.899 23.810 ( 0.000 0.000 3.173) 3.173 23.884 ( 0.000 0.000 -4.871) 4.871 23.963 ( 0.000 0.000 7.625) 7.625 23.997 ( 0.000 0.000 1.647) 1.647 24.153 ( 0.000 0.000 2.632) 2.632 24.304 ( 0.000 0.000 -11.240) 11.240 24.364 ( 0.000 0.000 5.977) 5.977 24.459 ( 0.000 0.000 -4.329) 4.329 26.464 ( 0.000 0.000 4.679) 4.679 26.555 ( 0.000 0.000 -5.236) 5.236 26.817 ( 0.000 0.000 1.408) 1.408 26.844 ( 0.000 0.000 -1.462) 1.462 27.109 ( 0.000 0.000 5.683) 5.683 27.200 ( 0.000 0.000 -4.190) 4.190 27.703 ( 0.000 0.000 18.513) 18.513 28.070 ( 0.000 0.000 -20.734) 20.734 ======================= Grid point 135 (46/60) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 0.000 13.334 22.923) 26.519 1.193 ( 0.000 17.574 19.327) 26.122 1.497 ( 0.000 15.014 -11.908) 19.163 1.571 ( 0.000 8.522 -21.955) 23.551 1.609 ( 0.000 6.626 11.230) 13.039 1.779 ( 0.000 10.200 -8.648) 13.372 1.807 ( 0.000 -0.910 8.596) 8.644 1.962 ( 0.000 -1.602 -8.174) 8.330 2.157 ( 0.000 13.403 23.563) 27.108 2.562 ( 0.000 1.086 -18.265) 18.297 2.863 ( 0.000 -1.863 1.949) 2.696 2.919 ( 0.000 -2.489 5.249) 5.809 2.941 ( 0.000 2.661 -6.797) 7.299 2.985 ( 0.000 -4.792 -2.055) 5.214 3.036 ( 0.000 -1.973 5.686) 6.018 3.090 ( 0.000 -3.725 3.277) 4.962 3.164 ( 0.000 -0.052 0.764) 0.765 3.174 ( 0.000 -4.525 1.147) 4.668 3.214 ( 0.000 -2.840 -3.474) 4.487 3.214 ( 0.000 2.044 -3.312) 3.892 3.369 ( 0.000 1.316 1.212) 1.789 3.478 ( 0.000 0.214 -8.839) 8.841 3.532 ( 0.000 -2.595 6.074) 6.605 3.629 ( 0.000 -1.561 -4.370) 4.640 3.814 ( 0.000 -2.744 13.409) 13.687 3.882 ( 0.000 -4.316 7.097) 8.306 3.949 ( 0.000 -5.718 2.630) 6.294 4.094 ( 0.000 -5.087 4.047) 6.500 4.148 ( 0.000 -3.470 -1.849) 3.932 4.158 ( 0.000 1.747 -11.413) 11.546 4.277 ( 0.000 3.130 1.429) 3.441 4.310 ( 0.000 2.990 -1.802) 3.490 4.325 ( 0.000 2.596 3.482) 4.343 4.440 ( 0.000 0.476 -10.648) 10.658 4.813 ( 0.000 -3.079 5.488) 6.293 4.916 ( 0.000 -4.660 -5.789) 7.431 6.442 ( 0.000 12.253 7.893) 14.575 6.601 ( 0.000 16.639 -9.820) 19.320 6.613 ( 0.000 1.805 5.432) 5.724 6.710 ( 0.000 2.216 -5.112) 5.571 6.839 ( 0.000 3.896 6.365) 7.463 6.960 ( 0.000 3.427 -6.495) 7.344 7.142 ( 0.000 1.634 3.367) 3.742 7.202 ( 0.000 0.947 -3.088) 3.230 7.417 ( 0.000 -5.319 1.953) 5.666 7.454 ( 0.000 -4.240 -2.031) 4.701 7.912 ( 0.000 0.773 0.739) 1.069 7.920 ( 0.000 1.108 -0.206) 1.127 8.002 ( 0.000 -12.580 10.163) 16.172 8.170 ( 0.000 -7.711 -7.813) 10.977 8.180 ( 0.000 8.614 3.776) 9.405 8.257 ( 0.000 7.564 -4.594) 8.850 8.270 ( 0.000 -9.851 7.573) 12.425 8.432 ( 0.000 -10.927 -8.493) 13.840 8.895 ( 0.000 -2.641 0.631) 2.715 8.913 ( 0.000 -2.038 -1.248) 2.390 9.496 ( 0.000 0.203 8.473) 8.476 9.666 ( 0.000 0.724 -9.808) 9.835 10.282 ( 0.000 -1.950 1.210) 2.295 10.304 ( 0.000 -0.337 -1.035) 1.088 10.523 ( 0.000 -6.198 3.269) 7.007 10.576 ( 0.000 -6.185 -2.426) 6.644 10.633 ( 0.000 -2.414 7.628) 8.001 10.749 ( 0.000 -3.132 -4.926) 5.837 12.175 ( 0.000 -7.313 13.820) 15.636 12.408 ( 0.000 -1.430 -12.656) 12.737 12.540 ( 0.000 -1.746 3.963) 4.330 12.615 ( 0.000 -0.492 -4.010) 4.040 13.027 ( 0.000 15.762 8.847) 18.075 13.197 ( 0.000 16.421 -9.346) 18.894 14.272 ( 0.000 -5.494 9.448) 10.929 14.467 ( 0.000 -5.112 -11.507) 12.592 14.942 ( 0.000 1.746 5.190) 5.476 15.046 ( 0.000 1.728 -6.101) 6.341 15.386 ( 0.000 -13.435 7.868) 15.569 15.492 ( 0.000 -7.571 -4.520) 8.817 15.879 ( 0.000 0.964 0.943) 1.349 15.890 ( 0.000 2.604 -0.210) 2.612 16.149 ( 0.000 -1.361 11.944) 12.022 16.347 ( 0.000 -1.713 -9.538) 9.690 23.836 ( 0.000 0.143 4.279) 4.281 23.918 ( 0.000 -0.285 -4.579) 4.588 23.956 ( 0.000 -0.800 1.072) 1.338 23.974 ( 0.000 -1.676 -0.578) 1.773 24.351 ( 0.000 0.291 8.894) 8.898 24.450 ( 0.000 -1.874 14.668) 14.788 24.514 ( 0.000 1.139 -8.638) 8.713 24.711 ( 0.000 5.621 -14.951) 15.972 26.723 ( 0.000 -1.525 4.461) 4.715 26.790 ( 0.000 -6.719 1.801) 6.956 26.808 ( 0.000 -1.837 -4.718) 5.063 26.823 ( 0.000 -6.516 -1.726) 6.740 27.121 ( 0.000 8.173 2.891) 8.669 27.174 ( 0.000 9.459 -2.768) 9.855 27.487 ( 0.000 -7.771 14.364) 16.331 27.719 ( 0.000 -2.694 -11.898) 12.200 ======================= Grid point 136 (47/60) ======================= q-point: ( 0.12 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 3.791 11.373 14.512) 18.823 1.308 ( 9.297 12.941 17.236) 23.474 1.423 ( -3.585 9.646 -8.865) 13.583 1.612 ( 4.760 13.063 -14.191) 19.866 1.817 ( 13.493 6.490 6.892) 16.483 1.828 ( 2.385 2.125 8.455) 9.038 1.954 ( 7.691 2.664 -7.059) 10.774 1.998 ( 7.962 5.394 -10.877) 14.518 2.241 ( 10.834 10.175 23.938) 28.177 2.601 ( 3.606 -2.921 -14.479) 15.204 2.837 ( -2.999 1.058 4.060) 5.157 2.914 ( 0.473 -5.161 1.432) 5.377 2.924 ( -3.427 -2.443 -3.329) 5.366 2.986 ( 3.329 2.304 -6.768) 7.886 3.093 ( 6.013 -0.363 3.096) 6.773 3.115 ( 2.123 -3.672 4.420) 6.126 3.196 ( 2.105 1.380 -0.044) 2.518 3.235 ( 2.658 1.992 2.717) 4.291 3.268 ( 5.925 -4.193 1.463) 7.404 3.294 ( 4.159 -1.803 -1.189) 4.686 3.373 ( 3.664 0.987 -1.727) 4.169 3.469 ( 0.530 -0.253 -8.182) 8.203 3.601 ( 3.285 -3.907 5.535) 7.529 3.642 ( -2.904 -2.628 2.729) 4.773 3.825 ( 1.477 -2.974 3.045) 4.506 3.866 ( -3.034 -0.936 1.071) 3.351 3.915 ( 6.913 -0.644 8.135) 10.695 4.100 ( 2.231 -4.684 -3.132) 6.060 4.122 ( -2.338 2.778 -3.941) 5.359 4.158 ( 0.526 -1.948 -1.913) 2.780 4.293 ( 3.226 2.249 2.656) 4.745 4.366 ( 5.796 1.990 -3.067) 6.852 4.421 ( 5.697 -0.111 1.922) 6.014 4.529 ( 8.167 1.210 -8.214) 11.646 4.829 ( 1.485 -2.817 5.076) 5.992 4.933 ( 1.723 -4.228 -6.122) 7.637 6.368 ( -5.742 9.370 7.283) 13.184 6.508 ( -7.022 12.468 -8.008) 16.398 6.610 ( -0.595 1.635 5.588) 5.852 6.710 ( -0.359 2.075 -5.222) 5.631 6.842 ( -0.108 5.432 6.015) 8.105 6.957 ( -0.542 4.556 -6.146) 7.670 7.157 ( 1.566 0.741 2.928) 3.402 7.209 ( 0.816 0.439 -2.739) 2.892 7.439 ( 1.039 -4.971 0.956) 5.167 7.446 ( -1.113 -4.100 0.959) 4.355 7.767 ( -6.648 -3.106 2.670) 7.809 7.797 ( -7.408 -3.267 -0.698) 8.127 8.061 ( 0.138 -1.635 6.875) 7.068 8.163 ( -0.467 3.641 -2.189) 4.274 8.220 ( 3.757 1.840 5.763) 7.121 8.320 ( 5.506 -0.627 2.986) 6.295 8.450 ( 8.177 -8.855 -7.059) 13.968 8.522 ( 8.251 -13.855 -10.405) 19.191 8.881 ( -1.497 -2.048 1.119) 2.773 8.907 ( -0.383 0.028 -1.807) 1.847 9.517 ( 2.132 0.562 8.338) 8.624 9.682 ( 1.779 1.284 -9.407) 9.660 10.260 ( -2.309 -2.015 1.003) 3.225 10.279 ( -2.354 0.384 -1.100) 2.627 10.512 ( -1.835 -7.579 3.512) 8.553 10.544 ( -4.737 -4.801 2.600) 7.228 10.601 ( -0.863 -5.040 1.288) 5.274 10.678 ( -6.479 -2.804 -4.241) 8.236 12.051 ( -9.190 -2.786 10.563) 14.276 12.213 ( -12.907 1.558 -7.660) 15.090 12.596 ( 1.730 -3.773 5.681) 7.036 12.699 ( 4.720 -3.225 -5.256) 7.765 12.928 ( -7.935 15.059 10.218) 19.853 13.122 ( -5.610 16.386 -10.875) 20.451 14.203 ( -6.435 -5.223 10.241) 13.174 14.416 ( -5.605 -5.262 -12.710) 14.855 15.014 ( 6.536 1.668 6.039) 9.054 15.092 ( 2.742 0.990 -0.736) 3.006 15.407 ( 1.460 -7.387 1.264) 7.635 15.468 ( -2.079 -4.817 -4.679) 7.030 15.971 ( 8.622 -0.749 1.010) 8.713 15.985 ( 8.984 0.452 -0.488) 9.009 16.160 ( 0.750 -1.631 11.375) 11.516 16.351 ( 0.219 -1.819 -9.297) 9.475 23.835 ( -0.145 0.158 4.234) 4.240 23.916 ( -0.328 -0.231 -4.469) 4.487 23.954 ( -0.063 -0.622 0.997) 1.177 23.966 ( -0.519 -0.957 0.019) 1.089 24.340 ( -1.749 0.726 8.893) 9.092 24.395 ( -3.571 -0.703 12.227) 12.758 24.500 ( -2.222 1.877 -7.023) 7.601 24.635 ( -5.430 4.322 -12.131) 13.976 26.613 ( -5.763 -0.870 2.936) 6.526 26.669 ( -5.340 -0.877 -3.120) 6.247 26.850 ( 1.051 -6.368 2.938) 7.091 26.907 ( 0.649 -5.216 -3.077) 6.091 27.187 ( 4.220 5.268 3.882) 7.786 27.223 ( 3.294 6.235 1.454) 7.201 27.542 ( 3.779 -6.409 5.857) 9.469 27.716 ( 2.097 -1.801 -12.210) 12.519 ======================= Grid point 137 (48/60) ======================= q-point: ( 0.25 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 4.647 6.225 4.759) 9.110 1.373 ( -0.546 5.924 -5.059) 7.809 1.556 ( 13.695 11.860 12.334) 21.917 1.741 ( 7.965 15.092 -6.083) 18.117 1.872 ( 2.820 2.264 9.233) 9.916 2.002 ( 3.425 -0.078 -1.603) 3.783 2.045 ( 7.644 4.557 4.450) 9.950 2.236 ( 10.838 8.205 -11.557) 17.842 2.525 ( 7.207 -1.617 6.660) 9.946 2.636 ( -1.898 -5.363 -5.738) 8.080 2.806 ( 4.590 0.004 7.737) 8.996 2.916 ( 3.339 -0.611 -3.152) 4.633 2.947 ( 1.539 -1.490 2.414) 3.228 3.016 ( -2.482 3.444 -0.977) 4.357 3.118 ( -0.390 0.126 3.404) 3.428 3.156 ( -0.198 2.790 2.622) 3.834 3.249 ( 4.326 -0.795 3.023) 5.338 3.333 ( 4.543 -0.701 -2.722) 5.342 3.344 ( 1.380 -3.903 0.465) 4.165 3.366 ( 1.828 -1.293 -2.191) 3.133 3.495 ( 2.540 -0.185 5.125) 5.723 3.566 ( 8.414 -0.615 0.146) 8.438 3.606 ( 4.417 -1.315 -1.804) 4.949 3.628 ( 3.367 -3.141 -4.619) 6.522 3.829 ( 2.573 -0.366 2.407) 3.543 3.899 ( 4.188 3.946 -3.571) 6.772 4.051 ( 3.060 1.232 0.751) 3.383 4.084 ( -0.150 3.552 -3.532) 5.012 4.216 ( 5.376 -3.892 1.981) 6.926 4.236 ( 7.058 -3.876 -0.197) 8.055 4.404 ( 6.955 1.233 3.302) 7.797 4.477 ( 4.548 0.291 -4.615) 6.485 4.611 ( 14.364 2.240 6.842) 16.068 4.748 ( 12.317 1.398 -6.485) 13.990 4.884 ( 5.718 -1.558 2.988) 6.637 4.995 ( 4.948 -3.104 -7.712) 9.675 6.263 ( -4.045 5.320 6.324) 9.201 6.380 ( -5.035 6.822 -6.301) 10.564 6.586 ( -1.709 0.412 6.051) 6.302 6.690 ( -1.577 0.873 -5.204) 5.507 6.827 ( -1.268 7.191 5.358) 9.057 6.932 ( -1.802 6.112 -5.735) 8.573 7.203 ( 2.817 -0.116 1.958) 3.432 7.238 ( 2.043 0.259 -1.903) 2.804 7.395 ( -2.903 -2.127 3.704) 5.165 7.436 ( -1.675 -4.025 -1.333) 4.559 7.672 ( -3.590 -6.070 1.451) 7.200 7.701 ( -1.686 -6.577 -1.309) 6.914 8.035 ( -2.712 0.869 7.382) 7.912 8.153 ( -0.923 3.384 -5.257) 6.319 8.268 ( 0.314 3.404 10.083) 10.647 8.416 ( 3.153 -2.824 0.641) 4.281 8.543 ( 1.286 -10.569 -4.719) 11.646 8.617 ( -0.154 -14.173 -9.825) 17.246 8.846 ( -1.367 1.479 3.245) 3.820 8.915 ( 1.613 4.017 -4.327) 6.121 9.575 ( 3.307 1.289 8.450) 9.165 9.737 ( 3.346 2.220 -8.932) 9.793 10.199 ( -3.226 -2.463 1.042) 4.190 10.223 ( -2.825 -0.893 -1.729) 3.430 10.357 ( -10.766 -2.652 5.408) 12.336 10.438 ( -8.925 -4.235 -2.898) 10.295 10.563 ( -2.124 -7.107 1.923) 7.663 10.602 ( -0.076 -8.715 -2.093) 8.964 11.888 ( -6.260 0.822 6.596) 9.131 11.987 ( -8.714 2.163 -4.544) 10.063 12.585 ( -1.992 -3.114 9.218) 9.931 12.725 ( -3.550 4.056 -2.184) 5.816 12.808 ( -1.788 6.909 5.584) 9.062 13.013 ( -5.227 13.485 -12.484) 19.106 14.055 ( -7.257 -4.866 10.806) 13.897 14.277 ( -6.936 -5.069 -13.169) 15.723 15.084 ( -2.952 1.004 6.703) 7.392 15.139 ( 3.261 2.480 2.303) 4.700 15.365 ( -2.010 0.238 4.782) 5.193 15.531 ( 6.120 -1.814 -11.390) 13.057 16.147 ( 2.663 -2.377 9.122) 9.796 16.185 ( 9.352 -2.037 1.409) 9.674 16.208 ( 8.881 -1.424 0.545) 9.011 16.350 ( -0.359 -1.790 -9.013) 9.196 23.829 ( -0.435 0.250 3.875) 3.908 23.904 ( -0.756 0.029 -4.245) 4.312 23.959 ( 0.554 -0.160 1.677) 1.774 23.963 ( 0.335 -0.399 1.031) 1.155 24.262 ( -4.536 1.559 9.309) 10.472 24.364 ( -0.408 -0.292 7.792) 7.809 24.428 ( -4.067 3.422 -6.375) 8.300 24.547 ( -3.386 1.130 -10.424) 11.018 26.523 ( -3.271 -0.296 3.530) 4.822 26.596 ( -2.386 -0.445 -4.421) 5.043 26.831 ( -2.207 -5.535 2.708) 6.545 26.880 ( -2.538 -4.246 -2.530) 5.556 27.193 ( -1.515 3.330 6.866) 7.779 27.290 ( 0.652 3.875 -2.998) 4.942 27.586 ( 2.879 -1.511 10.735) 11.217 27.845 ( 7.928 -4.110 -16.555) 18.810 ======================= Grid point 138 (49/60) ======================= q-point: ( 0.38 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 1.468 5.816 0.956) 6.075 1.381 ( 0.891 5.364 -3.039) 6.229 1.834 ( 12.731 9.114 7.078) 17.183 1.924 ( 9.380 12.819 0.508) 15.892 1.939 ( 3.590 1.322 6.098) 7.198 2.056 ( 2.172 -1.994 -4.659) 5.514 2.219 ( 9.283 3.526 9.808) 13.958 2.430 ( 7.197 4.741 -11.748) 14.570 2.456 ( -6.609 -2.487 3.616) 7.933 2.536 ( -6.423 -4.741 -4.703) 9.266 2.805 ( -10.654 4.187 9.714) 15.014 2.909 ( -3.464 3.990 -1.170) 5.411 3.000 ( 4.492 -5.071 1.034) 6.853 3.052 ( 5.350 -3.460 -3.495) 7.267 3.168 ( 3.527 1.388 5.209) 6.442 3.197 ( 3.528 3.597 3.524) 6.149 3.286 ( 0.246 2.622 2.503) 3.634 3.317 ( -1.180 1.498 0.722) 2.039 3.376 ( -0.748 -3.457 -4.296) 5.565 3.401 ( 1.533 -5.580 -4.032) 7.053 3.485 ( -1.253 -2.896 3.498) 4.711 3.581 ( -0.847 -2.019 -5.577) 5.991 3.744 ( 4.942 -4.073 2.159) 6.758 3.797 ( 4.011 -1.047 -3.304) 5.301 3.933 ( 6.701 3.702 4.676) 8.970 4.013 ( 5.335 3.601 -2.700) 6.980 4.135 ( 5.739 1.212 0.441) 5.882 4.172 ( 7.145 0.601 -3.471) 7.966 4.290 ( 3.437 1.145 1.608) 3.963 4.324 ( 2.779 0.606 -0.747) 2.941 4.486 ( 0.448 0.443 5.171) 5.209 4.570 ( 3.723 -0.113 -3.934) 5.418 4.874 ( 7.747 -1.318 7.977) 11.198 4.944 ( 11.651 2.664 0.704) 11.973 5.122 ( 12.207 1.896 -6.839) 14.120 5.130 ( 6.847 -0.203 -7.939) 10.486 6.211 ( -1.283 2.292 5.477) 6.074 6.311 ( -1.956 2.923 -5.233) 6.305 6.548 ( -1.806 -0.836 6.344) 6.648 6.654 ( -1.751 -0.298 -4.962) 5.271 6.801 ( -1.143 8.285 4.547) 9.520 6.895 ( -1.589 7.140 -5.353) 9.064 7.250 ( 0.893 -1.123 2.430) 2.822 7.284 ( 1.759 0.835 -1.502) 2.459 7.383 ( 3.303 -1.700 2.419) 4.433 7.416 ( 1.594 -2.648 -1.400) 3.393 7.629 ( -1.158 -9.999 3.293) 10.590 7.687 ( -0.189 -8.406 -3.031) 8.938 7.919 ( -9.075 -1.295 9.380) 13.115 8.087 ( -6.650 -1.526 -8.728) 11.079 8.256 ( -0.522 8.963 8.096) 12.089 8.421 ( -2.492 1.608 -7.980) 8.513 8.510 ( -2.062 -10.683 2.795) 11.233 8.591 ( -1.114 -11.877 -4.280) 12.674 8.841 ( 0.615 5.130 6.366) 8.199 8.966 ( 2.761 4.960 -6.974) 8.993 9.636 ( 2.387 1.553 9.026) 9.465 9.804 ( 3.012 2.506 -8.987) 9.804 10.134 ( -5.744 -1.521 4.710) 7.582 10.154 ( -4.163 -3.074 1.899) 5.512 10.185 ( -2.009 -3.528 -2.570) 4.805 10.248 ( -7.975 -1.863 -5.086) 9.641 10.546 ( -0.443 -10.133 3.614) 10.767 10.594 ( -0.630 -9.891 -1.773) 10.068 11.802 ( -2.531 1.025 3.776) 4.660 11.865 ( -3.710 0.961 -3.104) 4.932 12.553 ( -0.646 -2.477 11.777) 12.052 12.648 ( -2.721 13.265 7.746) 15.600 12.791 ( -0.584 2.138 -7.193) 7.527 12.906 ( -5.354 8.494 -12.443) 15.989 13.939 ( -3.895 -4.518 11.118) 12.617 14.169 ( -3.544 -4.828 -13.637) 14.895 15.018 ( -2.824 2.348 6.109) 7.128 15.113 ( -3.347 4.857 -4.063) 7.162 15.397 ( 3.099 0.530 13.452) 13.814 15.638 ( 3.831 0.356 -12.060) 12.659 16.151 ( -0.306 -1.110 10.843) 10.904 16.336 ( 0.440 -1.844 -8.060) 8.280 16.355 ( 5.164 -2.876 0.148) 5.913 16.377 ( 6.160 -2.217 -1.328) 6.680 23.819 ( -0.438 0.384 3.372) 3.422 23.891 ( -0.451 0.247 -4.472) 4.501 23.970 ( 0.446 0.616 4.038) 4.109 23.976 ( 0.741 -1.004 1.521) 1.967 24.189 ( -2.495 1.446 6.403) 7.022 24.355 ( -1.056 1.725 -3.333) 3.898 24.367 ( -1.284 1.132 0.730) 1.861 24.489 ( -2.293 0.530 -7.156) 7.533 26.476 ( -1.516 -0.288 4.289) 4.558 26.561 ( -1.170 -0.588 -4.959) 5.129 26.786 ( -1.861 -4.928 2.410) 5.793 26.828 ( -2.170 -3.882 -2.150) 4.939 27.165 ( -1.083 4.044 6.095) 7.394 27.264 ( -1.831 3.934 -4.691) 6.390 27.661 ( 3.350 -0.662 15.354) 15.730 27.971 ( 4.270 -4.934 -17.909) 19.061 ======================= Grid point 139 (50/60) ======================= q-point: (-0.50 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 0.000 6.057 0.968) 6.134 1.391 ( 0.000 5.870 -2.783) 6.496 1.966 ( -0.000 -1.171 7.150) 7.245 1.998 ( -0.000 10.369 4.483) 11.296 2.066 ( -0.000 11.840 -2.508) 12.103 2.078 ( 0.000 -2.608 -4.695) 5.370 2.315 ( 0.000 -5.757 7.024) 9.082 2.373 ( 0.000 3.896 9.669) 10.424 2.440 ( 0.000 -6.340 -5.944) 8.691 2.553 ( -0.000 6.197 -9.882) 11.664 2.647 ( 0.000 5.023 13.297) 14.214 2.831 ( 0.000 3.772 -6.326) 7.365 3.055 ( 0.000 -0.218 3.129) 3.137 3.117 ( 0.000 -1.361 -1.865) 2.309 3.177 ( 0.000 -5.168 6.607) 8.388 3.258 ( -0.000 -1.197 0.938) 1.521 3.287 ( 0.000 6.537 1.706) 6.756 3.321 ( 0.000 7.893 -3.861) 8.787 3.349 ( 0.000 -7.437 -0.447) 7.450 3.412 ( 0.000 -8.254 -4.344) 9.327 3.474 ( 0.000 -1.530 2.125) 2.619 3.574 ( 0.000 -0.102 -7.395) 7.396 3.775 ( 0.000 -6.575 2.231) 6.943 3.824 ( 0.000 -1.094 -2.974) 3.169 4.025 ( 0.000 6.682 4.360) 7.979 4.078 ( 0.000 3.508 -1.702) 3.899 4.203 ( 0.000 -4.744 2.737) 5.477 4.224 ( -0.000 -4.133 0.557) 4.170 4.313 ( 0.000 4.669 4.136) 6.237 4.418 ( 0.000 5.547 -6.756) 8.741 4.474 ( 0.000 0.187 7.051) 7.054 4.591 ( 0.000 -0.441 -6.051) 6.067 4.963 ( 0.000 -0.402 10.220) 10.227 5.135 ( 0.000 4.733 2.973) 5.590 5.154 ( -0.000 -0.360 -10.272) 10.278 5.256 ( 0.000 3.117 -9.452) 9.952 6.200 ( 0.000 1.062 5.126) 5.235 6.293 ( 0.000 1.464 -4.762) 4.982 6.527 ( 0.000 -1.441 6.483) 6.641 6.634 ( 0.000 -0.671 -4.880) 4.926 6.788 ( 0.000 8.709 4.227) 9.680 6.878 ( 0.000 7.511 -5.189) 9.129 7.249 ( 0.000 -0.966 3.111) 3.258 7.295 ( 0.000 0.454 -2.091) 2.140 7.467 ( 0.000 -2.504 1.670) 3.010 7.487 ( 0.000 -2.712 -0.578) 2.773 7.610 ( 0.000 -14.284 5.345) 15.251 7.683 ( 0.000 -8.865 -3.003) 9.360 7.774 ( 0.000 2.055 8.446) 8.693 7.966 ( 0.000 -4.892 -11.275) 12.290 8.254 ( 0.000 10.405 6.562) 12.301 8.388 ( 0.000 6.459 -8.072) 10.339 8.493 ( 0.000 -10.894 5.339) 12.132 8.579 ( 0.000 -10.698 -3.846) 11.368 8.850 ( 0.000 5.947 7.699) 9.728 8.998 ( 0.000 4.612 -7.988) 9.224 9.661 ( 0.000 1.428 9.442) 9.550 9.838 ( 0.000 2.544 -9.587) 9.919 10.050 ( 0.000 -0.334 6.400) 6.409 10.127 ( 0.000 -4.117 1.223) 4.295 10.162 ( 0.000 -1.195 -5.596) 5.722 10.170 ( 0.000 -4.812 -3.431) 5.910 10.540 ( 0.000 -10.864 3.675) 11.469 10.586 ( 0.000 -10.040 -1.286) 10.122 11.778 ( 0.000 0.652 2.781) 2.856 11.829 ( 0.000 0.280 -2.716) 2.731 12.554 ( 0.000 -4.706 14.815) 15.544 12.618 ( 0.000 16.241 9.453) 18.792 12.804 ( 0.000 16.854 -10.472) 19.843 12.822 ( -0.000 -6.498 -13.991) 15.426 13.901 ( 0.000 -4.365 11.293) 12.107 14.134 ( 0.000 -4.743 -13.905) 14.692 14.988 ( 0.000 2.846 5.272) 5.991 15.074 ( 0.000 5.748 -3.978) 6.990 15.433 ( 0.000 0.436 14.303) 14.310 15.677 ( 0.000 0.831 -11.691) 11.721 16.148 ( 0.000 -0.729 10.600) 10.625 16.332 ( 0.000 -1.486 -9.070) 9.191 16.416 ( 0.000 -3.266 1.239) 3.493 16.440 ( 0.000 -2.356 -1.398) 2.740 23.815 ( -0.000 0.440 3.185) 3.215 23.886 ( -0.000 0.301 -4.704) 4.714 23.975 ( 0.000 0.790 5.223) 5.282 23.985 ( 0.000 -1.194 1.922) 2.263 24.164 ( 0.000 1.277 4.928) 5.091 24.338 ( 0.000 3.073 -11.513) 11.916 24.361 ( 0.000 -0.377 6.390) 6.401 24.464 ( 0.000 0.491 -4.874) 4.899 26.461 ( 0.000 -0.325 4.545) 4.556 26.549 ( 0.000 -0.658 -5.001) 5.044 26.766 ( -0.000 -4.679 2.202) 5.171 26.805 ( 0.000 -3.714 -1.964) 4.201 27.154 ( 0.000 4.343 5.517) 7.022 27.244 ( 0.000 4.254 -4.231) 5.999 27.696 ( 0.000 -0.770 15.925) 15.944 28.014 ( 0.000 -5.131 -18.038) 18.753 ======================= Grid point 144 (51/60) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 0.000 10.640 16.945) 20.009 1.498 ( 0.000 19.187 15.951) 24.952 1.760 ( 0.000 8.499 -9.161) 12.496 1.775 ( 0.000 0.257 5.874) 5.880 1.810 ( 0.000 11.752 -15.835) 19.719 1.877 ( 0.000 17.961 1.308) 18.009 1.926 ( 0.000 -1.414 -9.361) 9.468 1.991 ( 0.000 10.627 -9.538) 14.279 2.431 ( 0.000 9.915 11.797) 15.410 2.613 ( 0.000 3.723 -8.958) 9.701 2.786 ( 0.000 -5.651 5.772) 8.078 2.817 ( 0.000 -7.486 1.674) 7.671 2.850 ( 0.000 -8.387 -1.889) 8.597 2.885 ( 0.000 -7.764 -4.719) 9.086 2.975 ( 0.000 -4.034 5.992) 7.223 3.006 ( 0.000 -4.865 1.737) 5.166 3.146 ( 0.000 3.769 4.292) 5.713 3.168 ( 0.000 0.871 3.773) 3.872 3.241 ( 0.000 4.568 -4.886) 6.689 3.261 ( 0.000 2.396 -4.915) 5.468 3.404 ( 0.000 1.881 2.991) 3.533 3.463 ( 0.000 -3.512 7.089) 7.911 3.485 ( 0.000 0.612 -5.314) 5.349 3.585 ( 0.000 -2.024 -5.745) 6.091 3.743 ( 0.000 -1.233 8.701) 8.788 3.830 ( 0.000 -1.368 0.526) 1.465 3.949 ( 0.000 4.599 10.412) 11.382 3.988 ( 0.000 -5.182 5.290) 7.405 4.076 ( 0.000 -3.967 -3.780) 5.479 4.206 ( 0.000 3.199 -12.332) 12.740 4.323 ( 0.000 0.748 1.233) 1.442 4.355 ( 0.000 1.400 -1.914) 2.371 4.393 ( 0.000 4.032 2.371) 4.677 4.464 ( 0.000 1.972 -6.561) 6.851 4.720 ( 0.000 -5.915 4.137) 7.218 4.786 ( 0.000 -7.757 -3.120) 8.361 6.665 ( 0.000 3.319 5.755) 6.644 6.676 ( 0.000 8.971 11.076) 14.253 6.773 ( 0.000 4.024 -5.805) 7.063 6.862 ( 0.000 7.879 -8.596) 11.660 6.937 ( 0.000 5.338 6.078) 8.090 7.049 ( 0.000 4.987 -5.812) 7.658 7.186 ( 0.000 1.802 1.397) 2.280 7.223 ( 0.000 0.595 -2.441) 2.513 7.315 ( 0.000 -3.791 2.904) 4.775 7.373 ( 0.000 -2.781 -3.376) 4.374 7.673 ( 0.000 -17.379 10.441) 20.274 7.860 ( 0.000 -18.351 -10.322) 21.055 7.934 ( 0.000 1.448 1.292) 1.940 7.954 ( 0.000 2.278 -0.809) 2.418 8.144 ( 0.000 -5.917 3.544) 6.897 8.218 ( 0.000 -8.233 -4.534) 9.399 8.403 ( 0.000 12.719 2.022) 12.879 8.455 ( 0.000 11.494 -3.831) 12.116 8.844 ( 0.000 -1.916 1.618) 2.508 8.890 ( 0.000 -1.026 -3.603) 3.746 9.502 ( 0.000 0.699 9.343) 9.369 9.686 ( 0.000 1.424 -10.381) 10.478 10.084 ( 0.000 -15.550 6.440) 16.831 10.193 ( 0.000 -11.724 -5.346) 12.886 10.464 ( 0.000 -0.412 2.335) 2.372 10.492 ( 0.000 -0.473 -0.903) 1.019 10.572 ( 0.000 -3.333 6.768) 7.544 10.668 ( 0.000 -4.472 -3.778) 5.854 12.138 ( 0.000 3.021 15.101) 15.400 12.412 ( 0.000 2.082 -14.938) 15.082 12.485 ( 0.000 -3.795 5.781) 6.915 12.595 ( 0.000 -1.546 -6.020) 6.215 13.350 ( 0.000 15.575 10.543) 18.808 13.544 ( 0.000 16.724 -10.560) 19.779 14.119 ( 0.000 -9.397 10.018) 13.736 14.324 ( 0.000 -8.855 -12.139) 15.025 14.981 ( 0.000 1.878 5.992) 6.279 15.092 ( 0.000 2.715 -6.048) 6.629 15.157 ( 0.000 -8.074 11.423) 13.988 15.339 ( 0.000 -6.758 -8.540) 10.890 15.911 ( 0.000 2.265 3.336) 4.032 15.968 ( 0.000 4.962 -2.771) 5.684 16.107 ( 0.000 -2.750 10.964) 11.303 16.293 ( 0.000 -3.680 -9.100) 9.816 23.844 ( 0.000 0.732 3.652) 3.725 23.914 ( 0.000 -0.012 -3.930) 3.930 23.936 ( 0.000 -1.532 0.867) 1.761 23.945 ( 0.000 -0.877 0.040) 0.878 24.361 ( 0.000 0.711 10.296) 10.320 24.430 ( 0.000 -0.839 17.481) 17.501 24.551 ( 0.000 2.481 -10.059) 10.360 24.755 ( 0.000 -0.981 -17.955) 17.982 26.679 ( 0.000 -2.501 4.467) 5.120 26.680 ( 0.000 -4.043 2.320) 4.662 26.722 ( 0.000 -3.376 -2.196) 4.028 26.761 ( 0.000 -2.717 -4.332) 5.114 27.268 ( 0.000 6.067 4.647) 7.642 27.354 ( 0.000 8.000 -4.482) 9.170 27.393 ( 0.000 -1.702 14.598) 14.697 27.645 ( 0.000 -3.761 -12.812) 13.353 ======================= Grid point 145 (52/60) ======================= q-point: ( 0.12 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -0.021 13.320 10.852) 17.182 1.571 ( 3.632 14.079 9.828) 17.550 1.679 ( -3.070 12.665 -4.725) 13.863 1.806 ( 3.034 -0.072 5.164) 5.990 1.850 ( 5.495 8.829 -10.374) 14.689 1.943 ( 2.397 -0.559 -7.322) 7.724 2.075 ( 13.048 14.576 3.025) 19.795 2.192 ( 14.409 9.812 -8.924) 19.584 2.450 ( 3.104 8.009 9.383) 12.721 2.600 ( -0.548 3.362 -7.074) 7.852 2.747 ( -3.372 -9.361 0.275) 9.954 2.768 ( -4.548 -9.043 -1.755) 10.273 2.888 ( 5.783 -1.322 5.375) 8.005 2.973 ( 4.553 -5.736 -2.969) 7.902 3.029 ( 4.407 -4.492 4.459) 7.712 3.046 ( 4.281 -5.481 0.736) 6.993 3.214 ( 4.584 2.390 2.898) 5.926 3.238 ( 5.452 2.179 2.574) 6.410 3.290 ( 5.036 2.984 -1.554) 6.057 3.331 ( 2.012 5.641 0.121) 5.991 3.385 ( 3.416 -0.477 -0.257) 3.459 3.447 ( -1.696 -2.493 -2.653) 4.016 3.526 ( 3.817 -1.789 3.102) 5.234 3.589 ( -0.991 -1.610 -1.336) 2.315 3.776 ( 3.731 -0.674 6.615) 7.624 3.868 ( 4.151 0.224 -2.365) 4.782 3.938 ( 2.886 3.310 8.125) 9.236 4.025 ( 1.913 -2.379 0.451) 3.086 4.116 ( 3.944 -2.223 -1.124) 4.665 4.197 ( -0.312 4.664 -8.190) 9.430 4.338 ( 1.867 1.875 0.916) 2.800 4.377 ( 3.297 -0.132 -3.490) 4.803 4.455 ( 5.701 2.554 4.328) 7.599 4.549 ( 7.891 0.729 -6.104) 10.002 4.740 ( 1.956 -5.894 4.091) 7.436 4.814 ( 2.744 -7.145 -3.845) 8.565 6.558 ( -8.789 8.021 9.525) 15.241 6.642 ( -2.485 2.304 5.468) 6.433 6.731 ( -7.901 6.898 -7.635) 12.973 6.766 ( -3.799 3.862 -6.977) 8.833 6.983 ( 2.634 7.658 5.553) 9.819 7.073 ( 1.868 5.637 -3.545) 6.916 7.173 ( -0.622 1.099 1.308) 1.818 7.210 ( -0.626 -0.384 -2.377) 2.488 7.340 ( 1.388 -4.117 2.611) 5.068 7.373 ( -0.250 -2.892 -0.398) 2.930 7.617 ( -4.139 -11.490 4.558) 13.036 7.703 ( -8.325 -7.085 -4.884) 11.973 7.990 ( 2.893 -2.142 4.708) 5.926 8.088 ( 5.169 -7.866 -5.549) 10.926 8.184 ( 3.751 -8.118 3.431) 9.578 8.248 ( 2.803 -9.709 -3.814) 10.801 8.418 ( 1.360 12.739 2.960) 13.149 8.497 ( 3.390 10.139 -5.871) 12.196 8.858 ( 1.376 -0.254 2.591) 2.945 8.918 ( 2.712 0.319 -4.145) 4.964 9.523 ( 2.047 0.161 9.233) 9.458 9.703 ( 1.696 0.840 -9.959) 10.137 10.071 ( -1.455 -15.598 6.182) 16.842 10.181 ( -1.576 -11.875 -5.678) 13.257 10.422 ( -3.787 -0.983 2.193) 4.485 10.443 ( -4.561 -1.643 0.382) 4.863 10.529 ( -4.059 -2.877 4.699) 6.843 10.605 ( -5.973 -4.024 -3.272) 7.910 12.077 ( -5.093 4.944 12.106) 14.033 12.282 ( -9.264 5.119 -9.954) 14.530 12.505 ( 0.020 -5.280 5.773) 7.823 12.629 ( 1.857 -3.982 -7.079) 8.331 13.255 ( -7.637 16.265 10.895) 21.014 13.462 ( -6.624 16.469 -11.594) 21.202 14.053 ( -6.079 -9.378 10.420) 15.280 14.266 ( -5.733 -9.377 -12.542) 16.676 15.054 ( 6.723 2.055 7.080) 9.978 15.110 ( 1.722 0.472 5.134) 5.436 15.280 ( 9.761 -3.616 -1.731) 10.552 15.376 ( 2.157 -4.053 -8.152) 9.356 15.969 ( 5.636 0.719 3.109) 6.477 16.020 ( 5.289 3.049 -2.359) 6.545 16.115 ( 0.811 -2.680 10.379) 10.750 16.295 ( 0.166 -3.679 -8.915) 9.645 23.843 ( -0.091 0.757 3.665) 3.744 23.913 ( -0.166 0.055 -3.831) 3.835 23.935 ( 0.024 -1.477 0.940) 1.751 23.947 ( 0.275 -0.674 -0.109) 0.736 24.356 ( -0.737 0.731 10.077) 10.130 24.391 ( -3.087 -0.010 15.389) 15.695 24.539 ( -1.297 2.255 -9.273) 9.631 24.686 ( -5.786 0.333 -15.696) 16.732 26.594 ( -4.368 -0.834 3.075) 5.406 26.646 ( -3.776 -1.152 -2.219) 4.529 26.728 ( 0.179 -5.342 2.682) 5.980 26.792 ( 0.318 -5.588 -3.734) 6.729 27.290 ( 0.698 4.788 6.017) 7.721 27.354 ( 1.961 5.905 2.121) 6.574 27.472 ( 4.973 -0.570 4.655) 6.835 27.660 ( 2.347 -3.108 -11.917) 12.537 ======================= Grid point 146 (53/60) ======================= q-point: ( 0.25 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 1.452 11.879 3.329) 12.422 1.558 ( -2.114 10.864 -4.513) 11.953 1.773 ( 8.633 8.722 9.852) 15.737 1.887 ( 4.888 0.953 5.548) 7.455 1.957 ( 4.035 1.314 -7.369) 8.504 2.025 ( 6.374 5.837 -7.345) 11.342 2.265 ( 5.240 15.829 11.325) 20.156 2.442 ( 9.458 10.173 -7.355) 15.717 2.553 ( -0.859 3.636 0.430) 3.761 2.588 ( -1.435 0.972 -2.875) 3.357 2.683 ( 3.655 -9.075 2.946) 10.218 2.762 ( 5.318 -9.266 -5.634) 12.078 2.980 ( 0.867 -1.674 3.908) 4.339 3.023 ( 0.878 -3.254 -0.438) 3.399 3.120 ( 4.098 -3.491 2.883) 6.107 3.144 ( 1.368 -5.199 0.933) 5.457 3.230 ( -0.714 -0.692 3.374) 3.517 3.272 ( -0.230 -0.299 -0.669) 0.768 3.343 ( 1.627 -0.349 0.588) 1.765 3.375 ( 2.251 3.152 -1.541) 4.169 3.477 ( 0.809 -0.002 4.127) 4.205 3.551 ( 3.616 0.049 -0.597) 3.665 3.601 ( 7.820 1.502 -0.225) 7.966 3.635 ( 9.298 2.176 -3.144) 10.053 3.846 ( 4.378 2.528 7.037) 8.665 3.964 ( 3.745 1.835 -4.424) 6.080 4.065 ( 6.329 0.610 2.211) 6.732 4.101 ( 4.305 -2.469 -0.824) 5.031 4.217 ( 6.280 2.102 -0.630) 6.653 4.240 ( 6.299 6.814 -3.079) 9.777 4.423 ( 5.852 0.793 1.774) 6.166 4.460 ( 4.912 -0.864 -2.579) 5.615 4.649 ( 12.006 0.596 6.669) 13.746 4.746 ( 9.652 -1.684 -1.755) 9.954 4.840 ( 11.405 -3.007 -0.369) 11.801 4.909 ( 7.685 -5.009 -5.610) 10.753 6.389 ( -7.245 6.360 7.420) 12.165 6.525 ( -8.612 6.495 -6.643) 12.668 6.592 ( -3.971 0.068 5.033) 6.411 6.702 ( -3.574 0.163 -6.234) 7.187 7.011 ( 0.232 10.187 5.068) 11.380 7.094 ( -0.141 8.726 -3.607) 9.443 7.181 ( 1.301 -1.851 1.983) 3.008 7.216 ( 1.221 -2.698 -1.569) 3.351 7.340 ( -0.950 -3.080 2.511) 4.086 7.370 ( -0.169 -2.426 -0.457) 2.474 7.525 ( -4.715 -8.396 1.809) 9.798 7.578 ( -4.020 -4.346 -4.004) 7.147 8.003 ( -1.891 -2.169 6.309) 6.934 8.115 ( -1.873 -6.497 -5.417) 8.664 8.251 ( 1.744 -11.915 2.573) 12.313 8.305 ( 2.219 -11.733 -3.377) 12.409 8.451 ( 1.728 12.963 4.448) 13.813 8.552 ( 1.641 9.413 -6.673) 11.655 8.896 ( 2.314 2.834 4.618) 5.892 8.987 ( 3.707 2.499 -5.102) 6.784 9.577 ( 2.999 -1.204 9.340) 9.883 9.752 ( 2.985 -0.707 -9.307) 9.800 10.024 ( -3.010 -15.424 4.946) 16.475 10.120 ( -4.287 -11.379 -5.367) 13.292 10.301 ( -8.193 -0.814 4.012) 9.159 10.348 ( -4.733 -3.222 -0.941) 5.802 10.438 ( -4.146 -4.349 0.811) 6.063 10.456 ( -7.512 -3.995 -1.268) 8.603 11.971 ( -4.799 7.030 7.645) 11.441 12.101 ( -7.950 8.315 -6.493) 13.210 12.480 ( -2.069 -6.714 8.974) 11.397 12.646 ( 0.035 -6.867 -8.772) 11.140 13.108 ( -6.349 16.634 10.954) 20.904 13.326 ( -6.479 16.086 -12.532) 21.395 13.913 ( -6.774 -8.931 10.665) 15.473 14.131 ( -6.564 -9.190 -12.818) 17.083 15.120 ( -0.797 2.602 9.638) 10.015 15.200 ( 6.083 3.039 5.481) 8.734 15.376 ( -0.292 0.950 -2.094) 2.318 15.495 ( 9.188 -1.625 -10.491) 14.040 16.099 ( 4.085 -1.953 7.416) 8.689 16.142 ( 5.728 -2.039 3.923) 7.236 16.177 ( 7.570 -1.255 -1.230) 7.772 16.297 ( -0.013 -3.327 -8.406) 9.040 23.840 ( -0.275 0.871 3.534) 3.650 23.907 ( -0.391 0.354 -3.728) 3.765 23.939 ( 0.319 -1.545 1.321) 2.058 23.957 ( 0.694 -0.540 -0.209) 0.904 24.301 ( -3.877 2.003 11.792) 12.573 24.359 ( -0.518 -0.275 9.574) 9.592 24.494 ( -3.184 2.795 -8.400) 9.407 24.572 ( -4.739 0.915 -12.554) 13.450 26.518 ( -3.055 -0.042 3.484) 4.634 26.583 ( -2.400 -0.537 -3.483) 4.264 26.705 ( -1.986 -6.226 3.087) 7.227 26.768 ( -2.166 -6.172 -3.482) 7.411 27.287 ( -0.417 5.676 6.843) 8.901 27.391 ( 0.360 5.916 -3.684) 6.979 27.557 ( 4.085 -1.494 8.372) 9.434 27.753 ( 5.730 -4.774 -11.789) 13.950 ======================= Grid point 147 (54/60) ======================= q-point: ( 0.38 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 1.236 10.108 -0.843) 10.218 1.535 ( -0.227 9.259 -2.803) 9.677 1.901 ( 3.376 -1.007 5.304) 6.368 1.986 ( 2.355 -2.715 -2.795) 4.553 2.057 ( 8.707 6.088 5.626) 12.021 2.177 ( 7.765 7.503 -5.959) 12.333 2.351 ( 2.348 10.806 10.508) 15.255 2.438 ( -5.945 2.101 1.076) 6.396 2.485 ( -4.142 1.720 0.758) 4.549 2.618 ( 6.726 9.616 -9.193) 14.907 2.852 ( 3.468 -2.903 3.573) 5.764 2.877 ( 2.093 -3.486 3.879) 5.620 2.933 ( 0.046 -1.794 -0.470) 1.855 3.001 ( -0.418 -0.233 -3.768) 3.798 3.106 ( -1.850 -4.750 3.464) 6.163 3.156 ( -1.534 -7.420 -0.650) 7.605 3.243 ( -0.087 -2.500 1.081) 2.725 3.284 ( 1.532 -4.793 -2.783) 5.750 3.359 ( -0.398 -3.056 0.082) 3.083 3.412 ( 0.202 -0.977 -5.617) 5.705 3.483 ( 2.328 6.906 7.979) 10.806 3.600 ( 2.942 3.992 -1.593) 5.209 3.709 ( 0.786 1.497 0.724) 1.839 3.786 ( 3.641 -0.138 -4.886) 6.095 3.986 ( 8.307 1.623 4.785) 9.723 4.040 ( 4.014 -0.462 -1.052) 4.175 4.130 ( 0.679 -1.214 1.632) 2.145 4.161 ( 1.429 -0.831 -1.235) 2.063 4.345 ( 5.563 3.740 2.666) 7.215 4.412 ( 8.632 5.312 -4.268) 10.998 4.498 ( 0.356 0.726 3.261) 3.360 4.557 ( 3.275 -0.706 -2.810) 4.372 4.853 ( 9.932 0.454 9.294) 13.610 4.982 ( 12.998 0.990 -3.273) 13.440 5.129 ( 11.372 -0.020 -3.367) 11.860 5.145 ( 14.088 -0.573 -3.566) 14.544 6.278 ( -3.741 4.053 5.510) 7.796 6.386 ( -4.876 4.147 -5.924) 8.721 6.517 ( -3.218 -2.371 5.831) 7.070 6.632 ( -2.903 -2.145 -6.521) 7.453 7.008 ( -0.244 11.427 4.697) 12.357 7.082 ( -0.667 10.167 -3.192) 10.677 7.204 ( 0.607 -3.083 3.433) 4.654 7.250 ( 1.933 -4.943 -0.848) 5.375 7.328 ( -0.384 -3.598 1.344) 3.860 7.370 ( 1.382 -3.730 -2.244) 4.567 7.452 ( -2.526 -5.040 2.495) 6.165 7.513 ( -2.947 -5.535 -4.194) 7.544 7.920 ( -5.531 0.825 5.172) 7.617 8.020 ( -6.977 -3.702 -5.579) 9.670 8.260 ( -0.148 -11.998 3.809) 12.589 8.331 ( 0.594 -12.327 -3.820) 12.919 8.480 ( 1.019 13.138 4.563) 13.945 8.571 ( 0.526 11.339 -5.392) 12.567 8.941 ( 1.782 4.447 6.249) 7.874 9.053 ( 2.556 3.250 -5.741) 7.075 9.628 ( 1.723 -2.786 9.923) 10.450 9.809 ( 2.351 -2.520 -9.341) 9.957 9.968 ( -2.122 -15.613 2.849) 16.012 10.033 ( -3.699 -11.336 -4.313) 12.680 10.139 ( -6.683 1.095 5.023) 8.432 10.228 ( -5.876 0.293 -4.609) 7.473 10.358 ( -2.469 -7.720 1.809) 8.304 10.378 ( -1.958 -7.135 -0.461) 7.413 11.895 ( -2.638 7.591 4.650) 9.285 11.978 ( -4.164 9.300 -4.255) 11.042 12.440 ( -1.568 -7.468 11.069) 13.445 12.643 ( -0.041 -9.127 -10.698) 14.063 13.007 ( -3.568 16.820 10.245) 20.015 13.213 ( -4.418 16.829 -11.787) 21.016 13.807 ( -3.560 -8.479 10.815) 14.197 14.029 ( -3.368 -8.897 -13.145) 16.226 15.093 ( -1.453 5.010 9.520) 10.856 15.249 ( -0.602 8.053 -6.130) 10.139 15.398 ( 2.276 -0.772 12.338) 12.570 15.638 ( 4.703 -0.788 -12.292) 13.184 16.130 ( 0.672 -0.709 9.187) 9.239 16.273 ( 5.000 -4.119 1.395) 6.627 16.294 ( 0.555 -2.826 -6.955) 7.527 16.322 ( 5.151 -2.939 -2.559) 6.459 23.834 ( -0.298 1.052 3.269) 3.447 23.900 ( -0.258 0.704 -4.006) 4.076 23.946 ( 0.376 -1.893 2.020) 2.794 23.971 ( 0.580 -0.641 0.161) 0.879 24.234 ( -2.417 2.802 9.822) 10.496 24.351 ( -0.287 -0.727 8.021) 8.059 24.432 ( -2.334 3.361 -9.881) 10.695 24.502 ( -2.430 0.559 -8.638) 8.991 26.472 ( -1.559 0.034 3.941) 4.239 26.547 ( -1.263 -0.549 -4.164) 4.386 26.666 ( -1.560 -6.262 3.183) 7.196 26.725 ( -1.783 -5.837 -3.049) 6.823 27.280 ( -0.251 7.059 5.749) 9.107 27.378 ( -0.982 7.104 -4.773) 8.614 27.633 ( 2.932 -2.326 10.733) 11.367 27.848 ( 3.343 -6.848 -12.290) 14.461 ======================= Grid point 148 (55/60) ======================= q-point: (-0.50 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 0.000 9.673 -1.192) 9.746 1.540 ( 0.000 8.425 -2.918) 8.916 1.933 ( 0.000 -2.366 4.166) 4.791 2.005 ( 0.000 -4.695 -3.674) 5.962 2.236 ( -0.000 10.246 5.650) 11.701 2.246 ( 0.000 -0.414 4.795) 4.813 2.320 ( -0.000 11.013 -3.559) 11.573 2.336 ( 0.000 -2.960 -4.584) 5.457 2.496 ( -0.000 9.123 13.240) 16.079 2.720 ( -0.000 9.708 -10.793) 14.517 2.763 ( 0.000 6.087 9.262) 11.083 2.876 ( 0.000 0.609 -3.463) 3.516 3.013 ( 0.000 -3.378 3.188) 4.645 3.042 ( 0.000 -8.018 2.986) 8.556 3.079 ( 0.000 -1.990 -2.380) 3.103 3.104 ( -0.000 -11.211 -3.582) 11.769 3.244 ( 0.000 -1.603 1.588) 2.257 3.297 ( 0.000 -4.697 -3.760) 6.017 3.344 ( -0.000 -4.174 1.160) 4.332 3.415 ( 0.000 -1.445 -5.866) 6.041 3.516 ( 0.000 8.588 7.075) 11.127 3.666 ( -0.000 8.761 -8.346) 12.100 3.676 ( 0.000 -2.607 8.410) 8.804 3.812 ( 0.000 -0.158 -6.422) 6.424 4.098 ( -0.000 -4.990 3.356) 6.014 4.111 ( 0.000 0.223 1.105) 1.127 4.121 ( -0.000 2.525 0.352) 2.549 4.143 ( -0.000 -3.213 -1.336) 3.480 4.427 ( -0.000 5.137 5.337) 7.407 4.466 ( 0.000 -0.837 6.219) 6.275 4.530 ( 0.000 4.006 -5.523) 6.823 4.566 ( 0.000 -1.588 -4.818) 5.073 4.982 ( 0.000 3.385 9.866) 10.430 5.158 ( -0.000 1.227 -8.989) 9.073 5.236 ( 0.000 4.170 2.190) 4.710 5.301 ( 0.000 0.337 -4.347) 4.360 6.240 ( 0.000 2.835 4.707) 5.495 6.335 ( 0.000 2.704 -5.348) 5.992 6.481 ( 0.000 -3.334 6.097) 6.949 6.601 ( 0.000 -3.048 -6.940) 7.580 7.006 ( 0.000 12.055 4.649) 12.921 7.075 ( 0.000 10.909 -2.836) 11.272 7.207 ( 0.000 -3.183 4.322) 5.367 7.277 ( 0.000 -2.805 -3.296) 4.328 7.321 ( -0.000 -11.920 5.750) 13.235 7.422 ( 0.000 -1.300 1.298) 1.837 7.439 ( 0.000 -12.514 -6.852) 14.267 7.446 ( 0.000 -0.865 -1.284) 1.548 7.847 ( 0.000 3.894 3.603) 5.305 7.922 ( 0.000 0.266 -4.524) 4.531 8.258 ( 0.000 -11.836 4.384) 12.622 8.336 ( 0.000 -12.432 -3.993) 13.058 8.490 ( 0.000 13.423 4.454) 14.143 8.577 ( 0.000 12.175 -4.981) 13.154 8.960 ( 0.000 4.700 6.853) 8.310 9.080 ( 0.000 3.135 -6.016) 6.784 9.644 ( 0.000 -3.530 10.359) 10.944 9.835 ( 0.000 -3.477 -10.052) 10.637 9.946 ( 0.000 -15.844 1.559) 15.920 9.992 ( 0.000 -11.835 -3.470) 12.333 10.068 ( 0.000 2.289 5.400) 5.865 10.165 ( 0.000 1.774 -5.048) 5.351 10.333 ( 0.000 -8.308 2.220) 8.600 10.358 ( 0.000 -8.455 -0.582) 8.475 11.868 ( 0.000 7.600 3.627) 8.421 11.936 ( 0.000 9.384 -3.579) 10.043 12.424 ( 0.000 -7.869 11.924) 14.286 12.644 ( 0.000 -10.604 -11.720) 15.805 12.970 ( 0.000 17.357 9.853) 19.958 13.165 ( 0.000 17.715 -11.100) 20.905 13.772 ( 0.000 -8.318 10.893) 13.706 13.995 ( 0.000 -8.852 -13.302) 15.978 15.076 ( 0.000 5.844 9.137) 10.846 15.236 ( 0.000 9.892 -8.023) 12.737 15.425 ( 0.000 -1.704 15.300) 15.395 15.684 ( 0.000 -0.686 -12.558) 12.577 16.137 ( 0.000 -0.037 8.688) 8.688 16.292 ( 0.000 -2.089 -7.935) 8.205 16.330 ( 0.000 -4.894 2.588) 5.536 16.378 ( 0.000 -3.551 -2.564) 4.380 23.830 ( -0.000 1.142 3.159) 3.359 23.897 ( 0.000 0.836 -4.222) 4.304 23.951 ( 0.000 -2.092 2.377) 3.167 23.977 ( 0.000 -0.703 0.446) 0.832 24.210 ( 0.000 3.034 8.980) 9.478 24.348 ( 0.000 -0.933 7.499) 7.557 24.409 ( 0.000 3.387 -11.404) 11.896 24.475 ( -0.000 0.538 -6.324) 6.346 26.456 ( 0.000 0.023 4.090) 4.090 26.534 ( 0.000 -0.551 -4.337) 4.372 26.650 ( -0.000 -6.213 3.170) 6.975 26.706 ( 0.000 -5.619 -2.836) 6.294 27.278 ( 0.000 7.577 5.175) 9.176 27.367 ( 0.000 7.677 -4.400) 8.848 27.663 ( 0.000 -2.736 10.982) 11.318 27.882 ( 0.000 -7.539 -12.391) 14.504 ======================= Grid point 153 (56/60) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 0.000 5.490 10.721) 12.045 1.731 ( 0.000 -3.015 6.903) 7.533 1.849 ( 0.000 7.642 0.471) 7.657 1.860 ( 0.000 1.869 -12.288) 12.429 1.940 ( 0.000 9.772 -1.140) 9.838 2.096 ( 0.000 12.682 -11.361) 17.026 2.130 ( 0.000 2.132 2.323) 3.153 2.190 ( 0.000 5.655 -4.125) 6.999 2.495 ( 0.000 1.134 3.903) 4.065 2.601 ( 0.000 -4.111 -7.235) 8.321 2.641 ( 0.000 -9.066 -0.203) 9.068 2.659 ( 0.000 -9.611 -2.360) 9.897 2.759 ( 0.000 3.674 3.293) 4.934 2.797 ( 0.000 2.502 -0.697) 2.597 2.878 ( 0.000 -5.812 2.607) 6.370 2.888 ( 0.000 -5.957 2.180) 6.343 3.203 ( 0.000 2.327 5.871) 6.315 3.235 ( 0.000 0.725 5.278) 5.328 3.304 ( 0.000 1.567 -3.896) 4.199 3.308 ( 0.000 1.731 -1.819) 2.511 3.428 ( 0.000 0.340 6.704) 6.713 3.432 ( 0.000 0.618 4.214) 4.259 3.510 ( 0.000 1.957 -4.257) 4.685 3.552 ( 0.000 -1.819 -6.421) 6.674 3.799 ( 0.000 5.752 5.205) 7.757 3.842 ( 0.000 3.361 2.609) 4.255 3.890 ( 0.000 -4.402 5.629) 7.146 3.972 ( 0.000 -6.567 -2.078) 6.888 4.099 ( 0.000 9.445 7.171) 11.859 4.274 ( 0.000 -6.141 3.574) 7.105 4.289 ( 0.000 4.628 -9.777) 10.817 4.359 ( 0.000 -1.584 -4.823) 5.076 4.485 ( 0.000 5.172 0.903) 5.250 4.517 ( 0.000 3.294 -2.996) 4.453 4.593 ( 0.000 -5.796 1.894) 6.098 4.626 ( 0.000 -7.500 -1.480) 7.644 6.739 ( 0.000 3.596 7.603) 8.411 6.776 ( 0.000 1.030 10.556) 10.606 6.873 ( 0.000 5.371 -6.412) 8.365 6.936 ( 0.000 0.082 -5.640) 5.640 7.035 ( 0.000 4.439 5.653) 7.187 7.141 ( 0.000 3.653 -5.366) 6.491 7.150 ( 0.000 -5.961 1.623) 6.178 7.202 ( 0.000 -2.541 -3.489) 4.316 7.296 ( 0.000 2.246 3.649) 4.285 7.375 ( 0.000 3.688 -4.991) 6.206 7.398 ( 0.000 -8.453 6.737) 10.809 7.536 ( 0.000 -12.324 -7.978) 14.681 7.970 ( 0.000 2.222 2.042) 3.018 8.011 ( 0.000 3.345 -2.364) 4.096 8.034 ( 0.000 -4.377 2.351) 4.968 8.091 ( 0.000 -4.786 -4.058) 6.274 8.655 ( 0.000 10.950 0.660) 10.970 8.689 ( 0.000 10.537 -3.301) 11.042 8.801 ( 0.000 -3.517 1.161) 3.704 8.843 ( 0.000 -4.436 -3.709) 5.782 9.552 ( 0.000 5.442 10.254) 11.609 9.744 ( 0.000 5.183 -10.353) 11.578 9.759 ( 0.000 -14.670 9.230) 17.333 9.924 ( 0.000 -12.480 -8.521) 15.111 10.472 ( 0.000 1.129 3.989) 4.146 10.510 ( 0.000 -2.595 5.538) 6.116 10.519 ( 0.000 2.390 -1.354) 2.747 10.582 ( 0.000 -3.804 -2.485) 4.543 12.250 ( 0.000 6.916 11.905) 13.767 12.385 ( 0.000 -6.020 8.495) 10.412 12.477 ( 0.000 3.829 -12.606) 13.175 12.549 ( 0.000 -3.031 -9.053) 9.547 13.646 ( 0.000 13.636 11.152) 17.616 13.856 ( 0.000 14.126 -11.681) 18.330 13.903 ( 0.000 -11.793 10.749) 15.957 14.116 ( 0.000 -11.619 -12.340) 16.950 15.014 ( 0.000 1.466 7.945) 8.079 15.053 ( 0.000 -2.915 10.277) 10.682 15.153 ( 0.000 3.307 -7.153) 7.880 15.228 ( 0.000 -4.352 -8.775) 9.794 15.969 ( 0.000 3.365 6.304) 7.146 16.041 ( 0.000 -3.589 9.059) 9.744 16.082 ( 0.000 6.017 -5.750) 8.323 16.200 ( 0.000 -5.426 -7.961) 9.635 23.867 ( 0.000 1.450 2.757) 3.115 23.900 ( 0.000 -1.798 1.739) 2.501 23.919 ( 0.000 0.464 -2.956) 2.993 23.931 ( 0.000 -0.637 -1.577) 1.701 24.380 ( 0.000 1.206 12.702) 12.759 24.407 ( 0.000 -1.334 15.659) 15.716 24.615 ( 0.000 3.829 -12.484) 13.058 24.698 ( 0.000 -3.999 -15.601) 16.105 26.629 ( 0.000 -1.012 3.195) 3.351 26.636 ( 0.000 -1.475 4.050) 4.310 26.687 ( 0.000 -0.193 -2.998) 3.004 26.709 ( 0.000 -2.110 -3.806) 4.352 27.358 ( 0.000 2.707 7.179) 7.672 27.383 ( 0.000 -0.226 10.646) 10.648 27.489 ( 0.000 5.340 -6.874) 8.704 27.575 ( 0.000 -3.485 -9.932) 10.525 ======================= Grid point 154 (57/60) ======================= q-point: ( 0.12 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 1.167 6.414 8.404) 10.636 1.752 ( 1.950 -3.221 6.133) 7.197 1.821 ( -2.791 5.945 -8.964) 11.112 1.874 ( 1.300 1.079 -5.179) 5.448 1.983 ( 3.850 12.939 3.283) 13.893 2.096 ( 2.563 12.081 -5.490) 13.515 2.256 ( 8.253 -2.926 -0.186) 8.758 2.308 ( 9.255 -1.394 -5.517) 10.864 2.541 ( 4.038 3.843 3.168) 6.412 2.611 ( 0.906 -1.295 -4.213) 4.500 2.642 ( -0.228 -0.754 0.366) 0.868 2.664 ( 1.646 -0.629 -2.069) 2.717 2.819 ( 5.300 -2.378 1.598) 6.025 2.840 ( 3.782 -3.026 0.107) 4.845 2.904 ( 1.714 -6.931 2.664) 7.621 2.921 ( 3.730 -6.075 0.664) 7.160 3.275 ( 4.386 2.778 3.159) 6.077 3.292 ( 3.260 1.895 2.010) 4.273 3.339 ( 2.240 -1.056 0.817) 2.608 3.349 ( 2.209 -2.540 0.859) 3.474 3.428 ( 1.600 3.578 3.927) 5.548 3.446 ( 3.767 3.401 1.951) 5.437 3.515 ( 2.026 0.250 -1.819) 2.734 3.560 ( 1.286 -2.415 -5.232) 5.904 3.845 ( 4.401 6.398 5.202) 9.347 3.888 ( 4.626 2.987 1.339) 5.667 3.936 ( 4.519 -3.390 3.834) 6.827 3.996 ( 2.231 -4.465 -1.819) 5.313 4.153 ( 5.617 8.231 5.907) 11.584 4.298 ( 2.375 2.027 -3.688) 4.832 4.326 ( 3.800 -2.043 -2.136) 4.814 4.370 ( 1.908 -0.730 -3.457) 4.016 4.525 ( 3.656 4.642 1.346) 6.060 4.558 ( 4.960 0.514 -2.146) 5.428 4.615 ( 2.316 -4.999 2.234) 5.945 4.662 ( 3.734 -7.451 -2.664) 8.750 6.669 ( -8.190 2.897 9.346) 12.759 6.681 ( -5.064 1.213 7.411) 9.057 6.817 ( -5.281 3.096 -7.074) 9.355 6.839 ( -8.484 1.518 -8.234) 11.920 7.102 ( 4.069 3.309 5.295) 7.452 7.130 ( 1.969 0.799 2.528) 3.302 7.205 ( 0.546 0.394 -1.202) 1.378 7.233 ( 2.890 -0.892 -3.874) 4.914 7.269 ( -1.768 0.976 4.158) 4.623 7.344 ( -1.422 1.278 -1.452) 2.400 7.406 ( -0.636 -6.611 1.445) 6.797 7.508 ( -1.887 -10.121 -7.441) 12.703 7.985 ( 0.940 1.183 2.493) 2.915 8.024 ( 0.875 1.185 -1.288) 1.957 8.048 ( 1.086 -4.345 1.762) 4.813 8.106 ( 1.184 -5.351 -4.224) 6.919 8.683 ( 2.418 11.823 1.413) 12.150 8.729 ( 3.395 11.054 -3.884) 12.199 8.837 ( 3.283 -3.206 1.847) 4.947 8.888 ( 4.084 -4.212 -3.932) 7.063 9.553 ( 0.137 4.219 10.111) 10.957 9.737 ( -0.989 -3.431 -1.615) 3.919 9.748 ( -0.744 -6.950 0.602) 7.015 9.906 ( -1.777 -12.340 -8.466) 15.070 10.425 ( -4.350 0.940 3.927) 5.936 10.445 ( -5.479 -0.115 3.973) 6.769 10.488 ( -3.573 -0.140 -0.334) 3.592 10.529 ( -5.067 -3.285 -2.518) 6.542 12.215 ( -3.122 7.834 10.534) 13.494 12.359 ( -2.626 -4.018 6.202) 7.843 12.424 ( -4.478 3.265 -8.502) 10.148 12.534 ( -1.735 -5.399 -9.129) 10.747 13.566 ( -6.704 14.318 10.870) 19.186 13.774 ( -6.716 13.558 -10.785) 18.581 13.836 ( -6.025 -11.253 9.522) 15.925 14.046 ( -6.153 -12.211 -12.346) 18.422 15.089 ( 6.572 1.302 9.450) 11.584 15.107 ( 4.372 -0.596 10.768) 11.636 15.265 ( 9.441 1.268 -8.163) 12.545 15.307 ( 6.233 -2.755 -9.526) 11.713 16.000 ( 3.042 2.264 5.830) 6.955 16.055 ( 1.368 -2.978 8.491) 9.101 16.103 ( 2.289 4.821 -5.226) 7.469 16.206 ( 0.617 -5.011 -7.635) 9.153 23.866 ( -0.032 1.476 2.822) 3.185 23.900 ( 0.010 -1.782 1.820) 2.547 23.920 ( 0.064 0.533 -2.959) 3.007 23.933 ( 0.252 -0.709 -1.725) 1.882 24.371 ( -0.932 0.783 12.154) 12.215 24.386 ( -1.946 -0.587 14.625) 14.765 24.594 ( -1.967 3.117 -11.824) 12.385 24.657 ( -3.664 -2.740 -14.460) 15.166 26.590 ( -2.862 0.674 3.421) 4.511 26.622 ( -1.881 -1.951 3.043) 4.075 26.659 ( -2.177 -0.349 -2.593) 3.403 26.697 ( -1.442 -3.547 -3.628) 5.275 27.375 ( 1.410 3.404 7.754) 8.585 27.415 ( 3.058 -0.205 8.737) 9.259 27.514 ( 1.872 4.166 -6.478) 7.926 27.595 ( 2.059 -3.500 -9.322) 10.168 ======================= Grid point 155 (58/60) ======================= q-point: ( 0.25 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 1.401 7.606 3.587) 8.525 1.766 ( -2.299 8.429 -5.177) 10.155 1.801 ( 2.397 -3.502 4.126) 5.919 1.891 ( 0.365 -3.811 -5.372) 6.597 2.080 ( 5.768 12.964 5.321) 15.154 2.180 ( 5.141 9.204 -4.553) 11.484 2.386 ( 3.130 -12.376 0.566) 12.778 2.438 ( 2.454 -10.214 -4.338) 11.365 2.617 ( 3.010 11.756 5.132) 13.176 2.655 ( 3.752 6.932 0.514) 7.899 2.702 ( 7.298 5.392 -2.027) 9.297 2.721 ( 3.575 3.130 -2.819) 5.525 2.899 ( 2.180 -5.873 2.524) 6.754 2.934 ( 4.475 -1.964 -1.071) 5.003 2.953 ( 2.959 -8.943 4.017) 10.241 3.022 ( 5.197 -7.160 -2.543) 9.205 3.250 ( -3.713 1.661 4.045) 5.736 3.277 ( -5.308 -0.376 2.870) 6.046 3.323 ( -0.441 0.685 -1.613) 1.807 3.377 ( -1.103 -3.078 -4.667) 5.698 3.529 ( 4.821 4.140 6.373) 9.000 3.585 ( 4.077 -0.771 2.237) 4.714 3.617 ( 10.186 2.301 -1.739) 10.587 3.659 ( 7.584 -1.008 -4.547) 8.900 3.947 ( 5.177 6.464 4.894) 9.620 3.995 ( 4.281 2.450 -0.382) 4.948 4.046 ( 4.451 -3.074 1.204) 5.542 4.061 ( 4.484 -2.454 -0.403) 5.127 4.309 ( 7.754 6.635 3.154) 10.681 4.382 ( 5.704 5.361 -3.478) 8.566 4.420 ( 5.186 -2.340 0.618) 5.723 4.449 ( 5.021 -1.020 -2.368) 5.644 4.668 ( 9.895 2.923 3.459) 10.882 4.711 ( 12.191 -0.513 0.861) 12.232 4.755 ( 13.161 -4.329 -0.568) 13.867 4.801 ( 11.437 -5.837 -3.368) 13.274 6.500 ( -7.981 4.397 7.348) 11.706 6.564 ( -6.157 -1.928 6.342) 9.047 6.641 ( -9.669 3.889 -7.539) 12.863 6.693 ( -6.930 -1.251 -7.143) 10.030 7.145 ( 0.615 0.652 3.793) 3.897 7.169 ( 0.347 -0.374 2.718) 2.765 7.210 ( 0.002 1.021 0.242) 1.049 7.227 ( -0.513 6.618 1.887) 6.901 7.276 ( -0.203 -4.862 -1.107) 4.991 7.333 ( 0.249 5.140 -4.386) 6.762 7.389 ( -0.100 -5.528 3.097) 6.337 7.482 ( -0.924 -6.373 -6.262) 8.982 7.988 ( -0.959 0.897 2.979) 3.255 8.029 ( -0.627 0.060 -1.081) 1.251 8.062 ( -0.015 -5.753 1.994) 6.089 8.123 ( 0.184 -6.907 -4.167) 8.069 8.737 ( 2.622 13.624 2.569) 14.109 8.799 ( 3.042 12.669 -4.260) 13.708 8.915 ( 3.942 -2.778 3.095) 5.730 8.982 ( 4.604 -4.212 -4.262) 7.556 9.557 ( 0.108 0.936 10.035) 10.079 9.696 ( -2.695 -12.994 8.084) 15.539 9.741 ( -0.149 0.323 -9.137) 9.143 9.854 ( -3.231 -11.125 -8.273) 14.236 10.309 ( -7.292 0.882 4.527) 8.628 10.321 ( -5.437 -0.321 3.500) 6.474 10.392 ( -5.457 -1.020 -1.907) 5.870 10.397 ( -7.136 -1.727 -2.701) 7.823 12.141 ( -3.794 9.083 8.127) 12.765 12.282 ( -4.695 6.327 -3.509) 8.625 12.333 ( -3.944 -5.060 3.777) 7.445 12.484 ( -2.873 -8.908 -8.893) 12.911 13.428 ( -6.230 14.754 10.579) 19.194 13.637 ( -6.192 14.027 -11.439) 19.130 13.701 ( -6.421 -11.473 9.729) 16.355 13.912 ( -6.261 -12.285 -12.484) 18.600 15.183 ( 2.626 3.228 12.396) 13.076 15.229 ( 6.283 -0.700 12.153) 13.699 15.412 ( 3.574 2.520 -10.453) 11.332 15.461 ( 8.479 -2.028 -11.106) 14.119 16.080 ( 3.824 0.115 6.447) 7.496 16.101 ( 3.783 -1.805 5.865) 7.209 16.176 ( 4.629 1.313 -4.388) 6.512 16.226 ( 1.361 -3.374 -6.716) 7.639 23.865 ( -0.105 1.590 2.928) 3.333 23.901 ( 0.078 -1.831 2.082) 2.773 23.921 ( 0.021 0.784 -3.026) 3.126 23.941 ( 0.424 -1.007 -1.996) 2.276 24.334 ( -2.515 1.234 12.190) 12.508 24.351 ( -1.255 -0.525 11.092) 11.175 24.542 ( -3.029 2.037 -10.350) 10.975 24.573 ( -4.135 -0.851 -12.259) 12.966 26.531 ( -2.710 1.563 3.512) 4.703 26.577 ( -2.145 -1.421 1.686) 3.076 26.609 ( -2.604 -1.368 -1.646) 3.371 26.656 ( -2.313 -4.425 -3.567) 6.136 27.406 ( 1.494 5.544 7.042) 9.086 27.487 ( 3.483 -0.595 6.044) 7.002 27.542 ( 0.874 3.584 -4.533) 5.844 27.651 ( 3.050 -5.400 -8.401) 10.443 ======================= Grid point 156 (59/60) ======================= q-point: ( 0.38 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 0.630 8.236 -0.239) 8.263 1.730 ( -1.186 9.319 -2.859) 9.820 1.841 ( 1.376 -4.964 1.933) 5.502 1.890 ( -0.328 -6.410 -3.432) 7.278 2.205 ( 6.080 8.309 5.250) 11.558 2.277 ( 4.065 4.559 -1.461) 6.280 2.394 ( -1.529 -4.539 0.164) 4.793 2.444 ( -0.670 -4.966 -4.078) 6.461 2.677 ( 3.771 12.784 7.826) 15.456 2.774 ( 5.981 4.842 -1.211) 7.790 2.799 ( 4.256 0.160 0.771) 4.328 2.841 ( 5.498 -1.193 -2.532) 6.170 2.920 ( -0.787 -0.439 3.151) 3.277 2.974 ( -0.732 -5.870 3.092) 6.675 2.989 ( 0.060 -0.215 -2.663) 2.672 3.071 ( -0.558 -3.398 -2.564) 4.293 3.194 ( -1.997 -1.287 3.070) 3.882 3.213 ( 0.410 -2.410 2.738) 3.670 3.289 ( -2.216 -0.557 -3.409) 4.104 3.345 ( -1.078 -4.308 -6.944) 8.242 3.610 ( 3.431 4.309 8.138) 9.827 3.653 ( 2.249 0.393 6.204) 6.611 3.763 ( 4.063 1.875 -6.223) 7.665 3.782 ( 4.020 -0.499 -5.748) 7.032 4.025 ( 1.942 2.766 3.529) 4.886 4.059 ( 2.861 2.535 0.432) 3.847 4.096 ( 1.281 -1.954 1.329) 2.688 4.132 ( 1.775 -2.299 -1.950) 3.498 4.410 ( 3.243 2.995 4.374) 6.214 4.477 ( 0.732 -2.475 3.592) 4.424 4.494 ( 4.342 2.394 -4.026) 6.387 4.541 ( 3.020 -1.359 -2.717) 4.283 4.936 ( 14.453 7.117 5.419) 16.997 5.020 ( 15.984 3.521 -3.206) 16.678 5.078 ( 15.245 -5.561 1.004) 16.259 5.102 ( 15.167 -3.372 -1.732) 15.633 6.364 ( -5.121 4.346 5.167) 8.474 6.450 ( -4.760 -3.793 5.210) 8.012 6.474 ( -6.400 4.296 -6.270) 9.936 6.565 ( -5.151 -4.244 -6.914) 9.610 7.147 ( -0.140 -0.981 3.882) 4.006 7.157 ( -0.474 -2.344 3.349) 4.115 7.209 ( 0.120 -0.314 -1.227) 1.272 7.221 ( -0.624 1.455 -1.401) 2.114 7.258 ( -0.960 3.774 1.898) 4.332 7.335 ( -0.282 6.194 -5.027) 7.982 7.392 ( -0.160 -4.117 2.837) 5.002 7.455 ( -1.923 -3.563 -3.933) 5.644 7.950 ( -2.316 2.528 2.740) 4.389 7.996 ( -2.323 2.330 -2.167) 3.940 8.051 ( -0.680 -7.801 3.158) 8.444 8.114 ( -0.704 -8.672 -3.489) 9.374 8.779 ( 1.469 15.004 3.004) 15.372 8.844 ( 1.480 14.161 -4.114) 14.821 8.980 ( 2.291 -2.702 3.899) 5.268 9.056 ( 2.517 -4.732 -4.317) 6.883 9.555 ( -0.245 -2.436 10.212) 10.502 9.642 ( -2.346 -12.506 7.678) 14.862 9.737 ( -0.244 -2.733 -9.131) 9.534 9.790 ( -2.834 -9.042 -8.065) 12.443 10.179 ( -4.871 2.546 4.693) 7.228 10.232 ( -3.023 -2.054 2.713) 4.552 10.267 ( -4.915 0.247 -2.785) 5.655 10.301 ( -3.395 -2.335 -2.796) 4.980 12.076 ( -2.444 9.643 6.387) 11.822 12.196 ( -3.275 11.345 -6.182) 13.329 12.270 ( -2.243 -8.907 8.135) 12.270 12.432 ( -2.006 -11.321 -8.869) 14.521 13.331 ( -3.276 14.819 10.264) 18.322 13.537 ( -3.566 14.968 -11.945) 19.479 13.601 ( -3.334 -11.800 10.404) 16.081 13.814 ( -3.331 -12.255 -12.567) 17.866 15.211 ( 0.469 6.289 13.177) 14.608 15.322 ( 2.933 -3.735 14.351) 15.117 15.447 ( 0.443 7.832 -11.241) 13.708 15.585 ( 3.801 -4.836 -12.990) 14.373 16.136 ( 2.103 1.544 6.642) 7.136 16.191 ( 3.823 -3.656 4.359) 6.854 16.254 ( 1.626 -0.742 -5.904) 6.169 16.269 ( 3.541 -2.036 -4.003) 5.719 23.863 ( -0.116 1.796 2.986) 3.487 23.903 ( 0.127 -2.087 2.475) 3.240 23.921 ( -0.023 1.166 -3.242) 3.446 23.949 ( 0.325 -1.402 -2.143) 2.581 24.290 ( -1.672 2.451 10.584) 10.992 24.329 ( -0.841 -1.462 9.532) 9.680 24.485 ( -2.230 1.821 -9.867) 10.278 24.506 ( -2.395 -0.295 -9.711) 10.007 26.488 ( -1.518 1.801 3.586) 4.291 26.544 ( -1.018 -1.831 1.139) 2.385 26.562 ( -1.863 -1.217 -1.354) 2.605 26.616 ( -1.531 -4.458 -3.416) 5.821 27.430 ( 0.880 7.271 5.927) 9.422 27.534 ( 0.857 6.447 -3.170) 7.235 27.562 ( 1.363 -3.254 4.961) 6.087 27.701 ( 1.726 -7.705 -7.901) 11.170 ======================= Grid point 157 (60/60) ======================= q-point: (-0.50 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 0.000 8.186 -1.487) 8.320 1.718 ( 0.000 9.214 -2.129) 9.457 1.854 ( 0.000 -5.602 0.858) 5.667 1.885 ( 0.000 -7.162 -2.535) 7.597 2.283 ( -0.000 3.044 3.635) 4.741 2.333 ( 0.000 -0.392 6.129) 6.142 2.353 ( -0.000 4.592 -3.970) 6.071 2.433 ( 0.000 -0.299 -4.660) 4.669 2.737 ( -0.000 12.170 9.688) 15.555 2.857 ( -0.000 -1.771 1.490) 2.314 2.859 ( 0.000 -1.835 -1.799) 2.570 2.874 ( -0.000 4.045 4.250) 5.867 2.917 ( -0.000 1.037 -0.724) 1.265 2.924 ( 0.000 -5.728 3.185) 6.554 2.989 ( 0.000 1.451 -6.756) 6.910 3.051 ( 0.000 -1.115 -4.644) 4.776 3.184 ( 0.000 -3.169 3.722) 4.888 3.220 ( -0.000 -6.546 4.058) 7.702 3.266 ( 0.000 1.715 -4.965) 5.252 3.336 ( 0.000 -4.606 -7.291) 8.624 3.658 ( 0.000 3.280 7.786) 8.448 3.665 ( 0.000 0.839 9.144) 9.183 3.803 ( 0.000 3.268 -7.553) 8.230 3.818 ( 0.000 0.504 -7.285) 7.303 4.042 ( 0.000 0.422 4.709) 4.728 4.087 ( 0.000 -2.409 3.302) 4.087 4.118 ( -0.000 0.843 -3.412) 3.514 4.141 ( 0.000 -0.473 -2.458) 2.503 4.453 ( -0.000 0.031 5.897) 5.897 4.469 ( 0.000 -0.680 5.733) 5.773 4.549 ( -0.000 0.198 -4.467) 4.471 4.562 ( 0.000 -0.269 -4.225) 4.234 5.107 ( 0.000 7.905 6.346) 10.137 5.213 ( -0.000 3.762 -5.005) 6.261 5.250 ( 0.000 -5.275 1.729) 5.551 5.271 ( 0.000 -0.999 -0.735) 1.240 6.309 ( 0.000 3.924 4.122) 5.691 6.396 ( 0.000 -4.582 5.007) 6.787 6.405 ( 0.000 4.355 -5.999) 7.413 6.509 ( 0.000 -5.505 -7.144) 9.019 7.145 ( 0.000 -2.062 3.886) 4.399 7.156 ( 0.000 -3.654 4.517) 5.810 7.211 ( 0.000 -0.702 -1.499) 1.655 7.212 ( 0.000 -2.295 -3.405) 4.106 7.246 ( 0.000 9.340 3.093) 9.838 7.330 ( 0.000 5.421 -5.727) 7.886 7.386 ( 0.000 -3.659 2.138) 4.238 7.426 ( 0.000 -2.275 -2.117) 3.108 7.921 ( 0.000 3.980 2.502) 4.702 7.966 ( 0.000 4.287 -2.259) 4.846 8.044 ( 0.000 -8.621 3.437) 9.281 8.106 ( 0.000 -9.632 -3.208) 10.152 8.794 ( 0.000 15.449 3.019) 15.741 8.859 ( 0.000 14.619 -4.069) 15.175 9.003 ( 0.000 -2.727 4.171) 4.983 9.081 ( 0.000 -5.049 -4.292) 6.627 9.552 ( 0.000 -3.684 10.379) 11.013 9.616 ( 0.000 -12.229 7.184) 14.183 9.737 ( -0.000 -4.365 -9.392) 10.356 9.754 ( 0.000 -7.909 -7.559) 10.940 10.129 ( 0.000 3.416 4.708) 5.817 10.205 ( 0.000 -4.401 3.824) 5.830 10.214 ( -0.000 2.565 -4.429) 5.118 10.266 ( 0.000 -2.818 -2.877) 4.027 12.050 ( 0.000 9.771 5.780) 11.352 12.162 ( 0.000 12.195 -6.103) 13.637 12.247 ( 0.000 -9.438 8.611) 12.776 12.411 ( 0.000 -12.197 -8.910) 15.105 13.298 ( 0.000 14.894 10.080) 17.984 13.500 ( 0.000 15.322 -11.767) 19.319 13.568 ( 0.000 -11.793 10.435) 15.747 13.780 ( 0.000 -12.330 -12.554) 17.596 15.214 ( 0.000 7.357 13.314) 15.212 15.351 ( 0.000 -5.603 15.601) 16.576 15.449 ( 0.000 10.367 -11.948) 15.819 15.621 ( 0.000 -6.015 -13.586) 14.858 16.159 ( 0.000 2.409 6.328) 6.771 16.231 ( 0.000 -4.546 4.327) 6.276 16.270 ( 0.000 0.391 -5.665) 5.679 16.308 ( 0.000 -3.041 -3.919) 4.960 23.861 ( 0.000 1.909 3.008) 3.562 23.905 ( 0.000 -2.321 2.734) 3.587 23.921 ( 0.000 1.422 -3.437) 3.720 23.952 ( 0.000 -1.575 -2.174) 2.685 24.272 ( 0.000 2.895 9.943) 10.356 24.321 ( 0.000 -1.832 8.935) 9.121 24.462 ( 0.000 1.760 -10.187) 10.338 24.481 ( -0.000 -0.186 -8.269) 8.271 26.472 ( 0.000 1.853 3.596) 4.045 26.537 ( 0.000 -4.580 3.407) 5.709 26.540 ( -0.000 1.475 -3.694) 3.978 26.600 ( 0.000 -4.393 -3.320) 5.506 27.439 ( 0.000 7.888 5.441) 9.583 27.539 ( 0.000 9.000 -5.239) 10.414 27.579 ( 0.000 -5.647 7.209) 9.157 27.718 ( 0.000 -8.574 -7.695) 11.521 =================== 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 3/26880 10.0 622.198 556.775 757.093 0.000 0.000 -0.000 3/26880 20.0 116.154 123.603 127.810 0.000 0.000 -0.000 3/26880 30.0 48.468 54.349 49.231 0.000 0.000 -0.000 3/26880 40.0 29.195 33.791 28.891 0.000 0.000 -0.000 3/26880 50.0 20.867 24.341 20.325 0.000 0.000 -0.000 3/26880 60.0 16.241 18.934 15.622 0.000 0.000 -0.000 3/26880 70.0 13.273 15.443 12.643 0.000 0.000 -0.000 3/26880 80.0 11.202 13.017 10.593 0.000 0.000 -0.000 3/26880 90.0 9.677 11.244 9.104 0.000 0.000 -0.000 3/26880 100.0 8.511 9.898 7.980 0.000 0.000 -0.000 3/26880 110.0 7.594 8.846 7.106 0.000 0.000 -0.000 3/26880 120.0 6.855 8.002 6.410 0.000 0.000 -0.000 3/26880 130.0 6.248 7.312 5.843 0.000 0.000 -0.000 3/26880 140.0 5.742 6.736 5.373 0.000 0.000 -0.000 3/26880 150.0 5.314 6.249 4.977 0.000 0.000 -0.000 3/26880 160.0 4.946 5.831 4.640 0.000 0.000 -0.000 3/26880 170.0 4.628 5.468 4.348 0.000 0.000 -0.000 3/26880 180.0 4.349 5.150 4.094 0.000 0.000 -0.000 3/26880 190.0 4.103 4.869 3.870 0.000 0.000 -0.000 3/26880 200.0 3.885 4.618 3.671 0.000 0.000 -0.000 3/26880 210.0 3.689 4.393 3.493 0.000 0.000 -0.000 3/26880 220.0 3.512 4.190 3.332 0.000 0.000 -0.000 3/26880 230.0 3.352 4.006 3.187 0.000 0.000 -0.000 3/26880 240.0 3.207 3.837 3.054 0.000 0.000 -0.000 3/26880 250.0 3.074 3.683 2.933 0.000 0.000 -0.000 3/26880 260.0 2.952 3.541 2.822 0.000 0.000 -0.000 3/26880 270.0 2.839 3.410 2.719 0.000 0.000 -0.000 3/26880 280.0 2.735 3.289 2.624 0.000 0.000 -0.000 3/26880 290.0 2.639 3.176 2.536 0.000 0.000 -0.000 3/26880 300.0 2.549 3.071 2.454 0.000 0.000 -0.000 3/26880 310.0 2.465 2.972 2.377 0.000 0.000 -0.000 3/26880 320.0 2.387 2.880 2.305 0.000 0.000 -0.000 3/26880 330.0 2.314 2.794 2.237 0.000 0.000 -0.000 3/26880 340.0 2.245 2.713 2.173 0.000 0.000 -0.000 3/26880 350.0 2.180 2.636 2.113 0.000 0.000 -0.000 3/26880 360.0 2.119 2.564 2.057 0.000 0.000 -0.000 3/26880 370.0 2.061 2.495 2.003 0.000 0.000 -0.000 3/26880 380.0 2.006 2.431 1.952 0.000 0.000 -0.000 3/26880 390.0 1.954 2.369 1.904 0.000 0.000 -0.000 3/26880 400.0 1.905 2.311 1.858 0.000 0.000 -0.000 3/26880 410.0 1.859 2.255 1.815 0.000 0.000 -0.000 3/26880 420.0 1.814 2.202 1.773 0.000 0.000 -0.000 3/26880 430.0 1.772 2.152 1.733 0.000 0.000 -0.000 3/26880 440.0 1.732 2.104 1.695 0.000 0.000 -0.000 3/26880 450.0 1.693 2.058 1.659 0.000 0.000 -0.000 3/26880 460.0 1.656 2.014 1.624 0.000 0.000 -0.000 3/26880 470.0 1.621 1.972 1.591 0.000 0.000 -0.000 3/26880 480.0 1.587 1.931 1.559 0.000 0.000 -0.000 3/26880 490.0 1.555 1.892 1.528 0.000 0.000 -0.000 3/26880 500.0 1.524 1.855 1.499 0.000 0.000 -0.000 3/26880 510.0 1.494 1.819 1.470 0.000 0.000 -0.000 3/26880 520.0 1.465 1.785 1.443 0.000 0.000 -0.000 3/26880 530.0 1.438 1.752 1.417 0.000 0.000 -0.000 3/26880 540.0 1.411 1.720 1.391 0.000 0.000 -0.000 3/26880 550.0 1.385 1.689 1.367 0.000 0.000 -0.000 3/26880 560.0 1.361 1.659 1.343 0.000 0.000 -0.000 3/26880 570.0 1.337 1.631 1.320 0.000 0.000 -0.000 3/26880 580.0 1.314 1.603 1.298 0.000 0.000 -0.000 3/26880 590.0 1.292 1.576 1.277 0.000 0.000 -0.000 3/26880 600.0 1.270 1.550 1.256 0.000 0.000 -0.000 3/26880 610.0 1.250 1.525 1.236 0.000 0.000 -0.000 3/26880 620.0 1.229 1.501 1.217 0.000 0.000 -0.000 3/26880 630.0 1.210 1.477 1.198 0.000 0.000 -0.000 3/26880 640.0 1.191 1.455 1.180 0.000 0.000 -0.000 3/26880 650.0 1.173 1.433 1.163 0.000 0.000 -0.000 3/26880 660.0 1.155 1.411 1.145 0.000 0.000 -0.000 3/26880 670.0 1.138 1.390 1.129 0.000 0.000 -0.000 3/26880 680.0 1.121 1.370 1.113 0.000 0.000 -0.000 3/26880 690.0 1.105 1.351 1.097 0.000 0.000 -0.000 3/26880 700.0 1.090 1.332 1.082 0.000 0.000 -0.000 3/26880 710.0 1.074 1.313 1.067 0.000 0.000 -0.000 3/26880 720.0 1.059 1.295 1.052 0.000 0.000 -0.000 3/26880 730.0 1.045 1.278 1.038 0.000 0.000 -0.000 3/26880 740.0 1.031 1.261 1.025 0.000 0.000 -0.000 3/26880 750.0 1.017 1.244 1.011 0.000 0.000 -0.000 3/26880 760.0 1.004 1.228 0.998 0.000 0.000 -0.000 3/26880 770.0 0.991 1.212 0.986 0.000 0.000 -0.000 3/26880 780.0 0.978 1.197 0.973 0.000 0.000 -0.000 3/26880 790.0 0.966 1.182 0.961 0.000 0.000 -0.000 3/26880 800.0 0.954 1.167 0.950 0.000 0.000 -0.000 3/26880 810.0 0.942 1.153 0.938 0.000 0.000 -0.000 3/26880 820.0 0.931 1.139 0.927 0.000 0.000 -0.000 3/26880 830.0 0.920 1.125 0.916 0.000 0.000 -0.000 3/26880 840.0 0.909 1.112 0.905 0.000 0.000 -0.000 3/26880 850.0 0.898 1.099 0.895 0.000 0.000 -0.000 3/26880 860.0 0.888 1.087 0.885 0.000 0.000 -0.000 3/26880 870.0 0.878 1.074 0.875 0.000 0.000 -0.000 3/26880 880.0 0.868 1.062 0.865 0.000 0.000 -0.000 3/26880 890.0 0.858 1.050 0.856 0.000 0.000 -0.000 3/26880 900.0 0.848 1.039 0.846 0.000 0.000 -0.000 3/26880 910.0 0.839 1.028 0.837 0.000 0.000 -0.000 3/26880 920.0 0.830 1.017 0.828 0.000 0.000 -0.000 3/26880 930.0 0.821 1.006 0.819 0.000 0.000 -0.000 3/26880 940.0 0.813 0.995 0.811 0.000 0.000 -0.000 3/26880 950.0 0.804 0.985 0.803 0.000 0.000 -0.000 3/26880 960.0 0.796 0.975 0.794 0.000 0.000 -0.000 3/26880 970.0 0.788 0.965 0.786 0.000 0.000 -0.000 3/26880 980.0 0.780 0.955 0.778 0.000 0.000 -0.000 3/26880 990.0 0.772 0.945 0.771 0.000 0.000 -0.000 3/26880 1000.0 0.764 0.936 0.763 0.000 0.000 -0.000 3/26880 Thermal conductivity related properties were written into "kappa-m875.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:18:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|