----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 04:03:03]------------------------- 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 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.705657519486343 -5.409815344999999 0.000000000000000 b 3.705657519486343 5.409815344999999 0.000000000000000 c -3.388220441926589 0.000000000000000 11.475920589080728 Atomic positions (fractional): *1 Rb 0.27054617173142 0.27054617173142 0.53160402573948 85.468 *2 Rb 0.60919354315243 0.08966282209900 0.69750908172032 85.468 3 Rb 0.08966282209900 0.60919354315243 0.69750908172032 85.468 *4 Rb 0.78810539123084 0.78810539123084 0.89732491367671 85.468 *5 Rb 0.69193241460523 0.30806758539477 0.00000000000000 85.468 6 Rb 0.30806758539477 0.69193241460523 0.00000000000000 85.468 7 Rb 0.21189460876916 0.21189460876916 0.10267508632329 85.468 8 Rb 0.91033717790100 0.39080645684757 0.30249091827968 85.468 9 Rb 0.39080645684757 0.91033717790100 0.30249091827968 85.468 10 Rb 0.72945382826858 0.72945382826858 0.46839597426052 85.468 *11 Si 0.17026765082505 0.17026765082505 0.80413504130625 28.085 12 Si 0.82973234917495 0.82973234917495 0.19586495869375 28.085 *13 H 0.78820979770762 0.21179020229238 0.50000000000000 1.008 14 H 0.21179020229238 0.78820979770762 0.50000000000000 1.008 *15 O 0.69788375716094 0.30211624283906 0.50000000000000 15.999 16 O 0.30211624283906 0.69788375716094 0.50000000000000 15.999 *17 O 0.02076472674355 0.02076472674355 0.67106853734960 15.999 *18 O 0.39207003996560 0.39207003996560 0.79845036052322 15.999 *19 O 0.25441472672942 0.00449542208513 0.87530461182226 15.999 20 O 0.00449542208513 0.25441472672942 0.87530461182226 15.999 21 O 0.99550457791487 0.74558527327058 0.12469538817774 15.999 22 O 0.74558527327058 0.99550457791487 0.12469538817774 15.999 23 O 0.60792996003440 0.60792996003440 0.20154963947678 15.999 24 O 0.97923527325645 0.97923527325645 0.32893146265040 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.411315038972686 0.000000000000000 0.000000000000000 b 0.000000000000000 10.819630689999999 0.000000000000000 c -3.388220441926589 0.000000000000000 11.475920589080728 Atomic positions (fractional): *1 Rb 0.27054617173142 0.00000000000000 0.53160402573948 85.468 > 1 *2 Rb 0.34942818262571 0.74023463947329 0.69750908172032 85.468 > 2 3 Rb 0.34942818262571 0.25976536052671 0.69750908172032 85.468 > 3 *4 Rb 0.78810539123084 0.00000000000000 0.89732491367671 85.468 > 4 *5 Rb 0.50000000000000 0.80806758539477 0.00000000000000 85.468 > 5 6 Rb 0.50000000000000 0.19193241460523 0.00000000000000 85.468 > 6 7 Rb 0.21189460876916 0.00000000000000 0.10267508632329 85.468 > 7 8 Rb 0.65057181737429 0.74023463947329 0.30249091827968 85.468 > 8 9 Rb 0.65057181737429 0.25976536052671 0.30249091827968 85.468 > 9 10 Rb 0.72945382826858 0.00000000000000 0.46839597426052 85.468 > 10 11 Rb 0.77054617173142 0.50000000000000 0.53160402573948 85.468 > 1 12 Rb 0.84942818262571 0.24023463947329 0.69750908172032 85.468 > 2 13 Rb 0.84942818262571 0.75976536052671 0.69750908172032 85.468 > 3 14 Rb 0.28810539123084 0.50000000000000 0.89732491367671 85.468 > 4 15 Rb 0.00000000000000 0.30806758539477 0.00000000000000 85.468 > 5 16 Rb 0.00000000000000 0.69193241460523 0.00000000000000 85.468 > 6 17 Rb 0.71189460876916 0.50000000000000 0.10267508632329 85.468 > 7 18 Rb 0.15057181737429 0.24023463947329 0.30249091827968 85.468 > 8 19 Rb 0.15057181737429 0.75976536052671 0.30249091827968 85.468 > 9 20 Rb 0.22945382826858 0.50000000000000 0.46839597426052 85.468 > 10 *21 Si 0.17026765082505 0.00000000000000 0.80413504130625 28.085 > 11 22 Si 0.82973234917495 0.00000000000000 0.19586495869375 28.085 > 12 23 Si 0.67026765082505 0.50000000000000 0.80413504130625 28.085 > 11 24 Si 0.32973234917495 0.50000000000000 0.19586495869375 28.085 > 12 *25 H 0.50000000000000 0.71179020229238 0.50000000000000 1.008 > 13 26 H 0.50000000000000 0.28820979770762 0.50000000000000 1.008 > 14 27 H 0.00000000000000 0.21179020229238 0.50000000000000 1.008 > 13 28 H 0.00000000000000 0.78820979770762 0.50000000000000 1.008 > 14 *29 O 0.50000000000000 0.80211624283906 0.50000000000000 15.999 > 15 30 O 0.50000000000000 0.19788375716094 0.50000000000000 15.999 > 16 *31 O 0.02076472674355 0.00000000000000 0.67106853734960 15.999 > 17 *32 O 0.39207003996560 0.00000000000000 0.79845036052322 15.999 > 18 *33 O 0.12945507440727 0.87504034767786 0.87530461182226 15.999 > 19 34 O 0.12945507440727 0.12495965232214 0.87530461182226 15.999 > 20 35 O 0.87054492559273 0.87504034767786 0.12469538817774 15.999 > 21 36 O 0.87054492559273 0.12495965232214 0.12469538817774 15.999 > 22 37 O 0.60792996003440 0.00000000000000 0.20154963947678 15.999 > 23 38 O 0.97923527325645 0.00000000000000 0.32893146265040 15.999 > 24 39 O 0.00000000000000 0.30211624283906 0.50000000000000 15.999 > 15 40 O 0.00000000000000 0.69788375716094 0.50000000000000 15.999 > 16 41 O 0.52076472674355 0.50000000000000 0.67106853734960 15.999 > 17 42 O 0.89207003996560 0.50000000000000 0.79845036052322 15.999 > 18 43 O 0.62945507440727 0.37504034767786 0.87530461182226 15.999 > 19 44 O 0.62945507440727 0.62495965232214 0.87530461182226 15.999 > 20 45 O 0.37054492559273 0.37504034767786 0.12469538817774 15.999 > 21 46 O 0.37054492559273 0.62495965232214 0.12469538817774 15.999 > 22 47 O 0.10792996003440 0.50000000000000 0.20154963947678 15.999 > 23 48 O 0.47923527325645 0.50000000000000 0.32893146265040 15.999 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.822630077945371 0.000000000000000 0.000000000000000 b 0.000000000000000 10.819630689999999 0.000000000000000 c -3.388220441926589 0.000000000000000 11.475920589080728 Atomic positions (fractional): *1 Rb 0.13527308586571 0.00000000000000 0.53160402573948 85.468 > 1 2 Rb 0.63527308586571 0.00000000000000 0.53160402573948 85.468 > 1 *3 Rb 0.17471409131286 0.74023463947329 0.69750908172032 85.468 > 2 4 Rb 0.67471409131286 0.74023463947329 0.69750908172032 85.468 > 2 5 Rb 0.17471409131286 0.25976536052671 0.69750908172032 85.468 > 3 6 Rb 0.67471409131286 0.25976536052671 0.69750908172032 85.468 > 3 *7 Rb 0.39405269561542 0.00000000000000 0.89732491367671 85.468 > 4 8 Rb 0.89405269561542 0.00000000000000 0.89732491367671 85.468 > 4 *9 Rb 0.25000000000000 0.80806758539477 0.00000000000000 85.468 > 5 10 Rb 0.75000000000000 0.80806758539477 0.00000000000000 85.468 > 5 11 Rb 0.25000000000000 0.19193241460523 0.00000000000000 85.468 > 6 12 Rb 0.75000000000000 0.19193241460523 0.00000000000000 85.468 > 6 13 Rb 0.10594730438458 0.00000000000000 0.10267508632329 85.468 > 7 14 Rb 0.60594730438458 0.00000000000000 0.10267508632329 85.468 > 7 15 Rb 0.32528590868714 0.74023463947329 0.30249091827968 85.468 > 8 16 Rb 0.82528590868714 0.74023463947329 0.30249091827968 85.468 > 8 17 Rb 0.32528590868714 0.25976536052671 0.30249091827968 85.468 > 9 18 Rb 0.82528590868714 0.25976536052671 0.30249091827968 85.468 > 9 19 Rb 0.36472691413429 0.00000000000000 0.46839597426052 85.468 > 10 20 Rb 0.86472691413429 0.00000000000000 0.46839597426052 85.468 > 10 21 Rb 0.38527308586571 0.50000000000000 0.53160402573948 85.468 > 1 22 Rb 0.88527308586571 0.50000000000000 0.53160402573948 85.468 > 1 23 Rb 0.42471409131286 0.24023463947329 0.69750908172032 85.468 > 2 24 Rb 0.92471409131286 0.24023463947329 0.69750908172032 85.468 > 2 25 Rb 0.42471409131286 0.75976536052671 0.69750908172032 85.468 > 3 26 Rb 0.92471409131286 0.75976536052671 0.69750908172032 85.468 > 3 27 Rb 0.14405269561542 0.50000000000000 0.89732491367671 85.468 > 4 28 Rb 0.64405269561542 0.50000000000000 0.89732491367671 85.468 > 4 29 Rb 0.00000000000000 0.30806758539477 0.00000000000000 85.468 > 5 30 Rb 0.50000000000000 0.30806758539477 0.00000000000000 85.468 > 5 31 Rb 0.00000000000000 0.69193241460523 0.00000000000000 85.468 > 6 32 Rb 0.50000000000000 0.69193241460523 0.00000000000000 85.468 > 6 33 Rb 0.35594730438458 0.50000000000000 0.10267508632329 85.468 > 7 34 Rb 0.85594730438458 0.50000000000000 0.10267508632329 85.468 > 7 35 Rb 0.07528590868714 0.24023463947329 0.30249091827968 85.468 > 8 36 Rb 0.57528590868714 0.24023463947329 0.30249091827968 85.468 > 8 37 Rb 0.07528590868714 0.75976536052671 0.30249091827968 85.468 > 9 38 Rb 0.57528590868714 0.75976536052671 0.30249091827968 85.468 > 9 39 Rb 0.11472691413429 0.50000000000000 0.46839597426052 85.468 > 10 40 Rb 0.61472691413429 0.50000000000000 0.46839597426052 85.468 > 10 *41 Si 0.08513382541252 0.00000000000000 0.80413504130625 28.085 > 11 42 Si 0.58513382541253 0.00000000000000 0.80413504130625 28.085 > 11 43 Si 0.41486617458747 0.00000000000000 0.19586495869375 28.085 > 12 44 Si 0.91486617458747 0.00000000000000 0.19586495869375 28.085 > 12 45 Si 0.33513382541253 0.50000000000000 0.80413504130625 28.085 > 11 46 Si 0.83513382541253 0.50000000000000 0.80413504130625 28.085 > 11 47 Si 0.16486617458747 0.50000000000000 0.19586495869375 28.085 > 12 48 Si 0.66486617458747 0.50000000000000 0.19586495869375 28.085 > 12 *49 H 0.25000000000000 0.71179020229238 0.50000000000000 1.008 > 13 50 H 0.75000000000000 0.71179020229238 0.50000000000000 1.008 > 13 51 H 0.25000000000000 0.28820979770762 0.50000000000000 1.008 > 14 52 H 0.75000000000000 0.28820979770762 0.50000000000000 1.008 > 14 53 H 0.00000000000000 0.21179020229238 0.50000000000000 1.008 > 13 54 H 0.50000000000000 0.21179020229238 0.50000000000000 1.008 > 13 55 H 0.00000000000000 0.78820979770762 0.50000000000000 1.008 > 14 56 H 0.50000000000000 0.78820979770762 0.50000000000000 1.008 > 14 *57 O 0.25000000000000 0.80211624283906 0.50000000000000 15.999 > 15 58 O 0.75000000000000 0.80211624283906 0.50000000000000 15.999 > 15 59 O 0.25000000000000 0.19788375716094 0.50000000000000 15.999 > 16 60 O 0.75000000000000 0.19788375716094 0.50000000000000 15.999 > 16 *61 O 0.01038236337178 0.00000000000000 0.67106853734960 15.999 > 17 62 O 0.51038236337178 0.00000000000000 0.67106853734960 15.999 > 17 *63 O 0.19603501998280 0.00000000000000 0.79845036052322 15.999 > 18 64 O 0.69603501998280 0.00000000000000 0.79845036052322 15.999 > 18 *65 O 0.06472753720364 0.87504034767786 0.87530461182226 15.999 > 19 66 O 0.56472753720364 0.87504034767786 0.87530461182226 15.999 > 19 67 O 0.06472753720364 0.12495965232214 0.87530461182226 15.999 > 20 68 O 0.56472753720364 0.12495965232214 0.87530461182226 15.999 > 20 69 O 0.43527246279636 0.87504034767786 0.12469538817774 15.999 > 21 70 O 0.93527246279636 0.87504034767786 0.12469538817774 15.999 > 21 71 O 0.43527246279636 0.12495965232214 0.12469538817774 15.999 > 22 72 O 0.93527246279636 0.12495965232214 0.12469538817774 15.999 > 22 73 O 0.30396498001720 0.00000000000000 0.20154963947678 15.999 > 23 74 O 0.80396498001720 0.00000000000000 0.20154963947678 15.999 > 23 75 O 0.48961763662822 0.00000000000000 0.32893146265040 15.999 > 24 76 O 0.98961763662822 0.00000000000000 0.32893146265040 15.999 > 24 77 O 0.00000000000000 0.30211624283906 0.50000000000000 15.999 > 15 78 O 0.50000000000000 0.30211624283906 0.50000000000000 15.999 > 15 79 O 0.00000000000000 0.69788375716094 0.50000000000000 15.999 > 16 80 O 0.50000000000000 0.69788375716094 0.50000000000000 15.999 > 16 81 O 0.26038236337178 0.50000000000000 0.67106853734960 15.999 > 17 82 O 0.76038236337178 0.50000000000000 0.67106853734960 15.999 > 17 83 O 0.44603501998280 0.50000000000000 0.79845036052322 15.999 > 18 84 O 0.94603501998280 0.50000000000000 0.79845036052322 15.999 > 18 85 O 0.31472753720364 0.37504034767786 0.87530461182226 15.999 > 19 86 O 0.81472753720364 0.37504034767786 0.87530461182226 15.999 > 19 87 O 0.31472753720364 0.62495965232214 0.87530461182226 15.999 > 20 88 O 0.81472753720364 0.62495965232214 0.87530461182226 15.999 > 20 89 O 0.18527246279636 0.37504034767786 0.12469538817774 15.999 > 21 90 O 0.68527246279636 0.37504034767786 0.12469538817774 15.999 > 21 91 O 0.18527246279636 0.62495965232214 0.12469538817774 15.999 > 22 92 O 0.68527246279636 0.62495965232214 0.12469538817774 15.999 > 22 93 O 0.05396498001720 0.50000000000000 0.20154963947678 15.999 > 23 94 O 0.55396498001720 0.50000000000000 0.20154963947678 15.999 > 23 95 O 0.23961763662822 0.50000000000000 0.32893146265040 15.999 > 24 96 O 0.73961763662822 0.50000000000000 0.32893146265040 15.999 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7938103 0.0000000 -0.0171190 0.0000000 2.7871054 0.0000000 -0.0171191 0.0000000 2.8253798 -------------------------- Born effective charges -------------------------- 1 Rb 1.1945394 0.0000000 -0.0086379 0.0000000 1.1462574 0.0000000 -0.0071793 0.0000000 1.3149908 2 Rb 1.1042101 -0.2517850 0.0402282 -0.2383555 1.2483224 -0.0112354 0.0379310 0.0011271 1.2178392 3 Rb 1.1042101 0.2517850 0.0402282 0.2383555 1.2483224 0.0112354 0.0379310 -0.0011271 1.2178392 4 Rb 1.4638472 0.0000000 -0.0197061 0.0000000 1.0275194 0.0000000 -0.0593897 0.0000000 1.1933794 5 Rb 1.2091363 0.0000000 0.0877191 0.0000000 1.2505533 0.0000000 0.0866864 0.0000000 1.1558594 6 Rb 1.2091363 0.0000000 0.0877191 0.0000000 1.2505533 0.0000000 0.0866864 0.0000000 1.1558594 7 Rb 1.4638472 0.0000000 -0.0197061 0.0000000 1.0275194 0.0000000 -0.0593897 0.0000000 1.1933794 8 Rb 1.1042101 0.2517850 0.0402282 0.2383555 1.2483224 0.0112354 0.0379310 -0.0011271 1.2178392 9 Rb 1.1042101 -0.2517850 0.0402282 -0.2383555 1.2483224 -0.0112354 0.0379310 0.0011271 1.2178392 10 Rb 1.1945394 0.0000000 -0.0086379 0.0000000 1.1462574 0.0000000 -0.0071793 0.0000000 1.3149908 11 Si 2.5957228 0.0000000 -0.0615443 0.0000000 2.5051608 0.0000000 0.0304087 0.0000000 2.5699518 12 Si 2.5957228 0.0000000 -0.0615443 0.0000000 2.5051608 0.0000000 0.0304087 0.0000000 2.5699518 13 H 0.3018808 0.0000000 0.0016222 0.0000000 0.0301402 0.0000000 -0.0059416 0.0000000 0.4377345 14 H 0.3018808 0.0000000 0.0016222 0.0000000 0.0301402 0.0000000 -0.0059416 0.0000000 0.4377345 15 O -1.5493325 0.0000000 0.0360903 0.0000000 -1.1323543 0.0000000 0.0513798 0.0000000 -1.5818032 16 O -1.5493325 0.0000000 0.0360903 0.0000000 -1.1323543 0.0000000 0.0513798 0.0000000 -1.5818032 17 O -1.6299260 0.0000000 -0.2838393 0.0000000 -1.5533760 0.0000000 -0.3645008 0.0000000 -2.3967253 18 O -2.3992970 0.0000000 -0.0893988 0.0000000 -1.5424674 0.0000000 -0.0650497 0.0000000 -1.5559008 19 O -1.6974956 -0.2296427 0.1286192 -0.3037245 -2.1140391 0.3545403 0.1288620 0.3450528 -1.7865825 20 O -1.6974956 0.2296427 0.1286192 0.3037245 -2.1140391 -0.3545403 0.1288620 -0.3450528 -1.7865825 21 O -1.6974956 0.2296427 0.1286192 0.3037245 -2.1140391 -0.3545403 0.1288620 -0.3450528 -1.7865825 22 O -1.6974956 -0.2296427 0.1286192 -0.3037245 -2.1140391 0.3545403 0.1288620 0.3450528 -1.7865825 23 O -2.3992970 0.0000000 -0.0893988 0.0000000 -1.5424674 0.0000000 -0.0650497 0.0000000 -1.5559008 24 O -1.6299260 0.0000000 -0.2838393 0.0000000 -1.5533760 0.0000000 -0.3645008 0.0000000 -2.3967253 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 12312/12312 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2759 Number of blocks in projector: 2759 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: 694 Use submatrix version of eigh solver. (1) Block: 500 / 694 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 694 / 694 (1) 181 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 458 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 458 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 383 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 383 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 383 Use standard eigh solver. Tree of FC basis block matrices: - (2759, 2702), data: False |-- (383, 373), data: True |-- (383, 373), data: True |-- (383, 373), data: True |-- (458, 454), data: True |-- (458, 454), data: True |-- (694, 675), data: False |-- (694, 13), data: (694, 32) @ (32, 13) |-- (194, 181), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 231), data: True |-- (250, 233), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.680 Solver_block: 200 / 720 - Time: 0.578 Solver_block: 300 / 720 - Time: 0.567 Solver_block: 400 / 720 - Time: 0.576 Solver_block: 500 / 720 - Time: 0.566 Solver_block: 600 / 720 - Time: 0.572 Solver_block: 700 / 720 - Time: 0.573 Solver_block: 720 / 720 - Time: 0.218 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.441 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 12312/12312 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2759 Number of blocks in projector: 2759 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: 694 Use submatrix version of eigh solver. (1) Block: 500 / 694 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 694 / 694 (1) 181 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 458 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 458 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 383 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 383 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 383 Use standard eigh solver. Tree of FC basis block matrices: - (2759, 2702), data: False |-- (383, 373), data: True |-- (383, 373), data: True |-- (383, 373), data: True |-- (458, 454), data: True |-- (458, 454), data: True |-- (694, 675), data: False |-- (694, 13), data: (694, 32) @ (32, 13) |-- (194, 181), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 231), data: True |-- (250, 233), 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 2026-01-09 04:03:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:03:35]------------------------- 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 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.705657519486343 -5.409815344999999 0.000000000000000 b 3.705657519486343 5.409815344999999 0.000000000000000 c -3.388220441926589 0.000000000000000 11.475920589080728 Atomic positions (fractional): 1 Rb 0.27054617173142 0.27054617173142 0.53160402573948 85.468 2 Rb 0.60919354315243 0.08966282209900 0.69750908172032 85.468 3 Rb 0.08966282209900 0.60919354315243 0.69750908172032 85.468 4 Rb 0.78810539123084 0.78810539123084 0.89732491367671 85.468 5 Rb 0.69193241460523 0.30806758539477 0.00000000000000 85.468 6 Rb 0.30806758539477 0.69193241460523 0.00000000000000 85.468 7 Rb 0.21189460876916 0.21189460876916 0.10267508632329 85.468 8 Rb 0.91033717790100 0.39080645684757 0.30249091827968 85.468 9 Rb 0.39080645684757 0.91033717790100 0.30249091827968 85.468 10 Rb 0.72945382826858 0.72945382826858 0.46839597426052 85.468 11 Si 0.17026765082505 0.17026765082505 0.80413504130625 28.085 12 Si 0.82973234917495 0.82973234917495 0.19586495869375 28.085 13 H 0.78820979770762 0.21179020229238 0.50000000000000 1.008 14 H 0.21179020229238 0.78820979770762 0.50000000000000 1.008 15 O 0.69788375716094 0.30211624283906 0.50000000000000 15.999 16 O 0.30211624283906 0.69788375716094 0.50000000000000 15.999 17 O 0.02076472674355 0.02076472674355 0.67106853734960 15.999 18 O 0.39207003996560 0.39207003996560 0.79845036052322 15.999 19 O 0.25441472672942 0.00449542208513 0.87530461182226 15.999 20 O 0.00449542208513 0.25441472672942 0.87530461182226 15.999 21 O 0.99550457791487 0.74558527327058 0.12469538817774 15.999 22 O 0.74558527327058 0.99550457791487 0.12469538817774 15.999 23 O 0.60792996003440 0.60792996003440 0.20154963947678 15.999 24 O 0.97923527325645 0.97923527325645 0.32893146265040 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.822630077945371 0.000000000000000 0.000000000000000 b 0.000000000000000 10.819630689999999 0.000000000000000 c -3.388220441926589 0.000000000000000 11.475920589080728 Atomic positions (fractional): 1 Rb 0.13527308586571 0.00000000000000 0.53160402573948 85.468 > 1 2 Rb 0.63527308586571 0.00000000000000 0.53160402573948 85.468 > 1 3 Rb 0.17471409131286 0.74023463947329 0.69750908172032 85.468 > 3 4 Rb 0.67471409131286 0.74023463947329 0.69750908172032 85.468 > 3 5 Rb 0.17471409131286 0.25976536052671 0.69750908172032 85.468 > 5 6 Rb 0.67471409131286 0.25976536052671 0.69750908172032 85.468 > 5 7 Rb 0.39405269561542 0.00000000000000 0.89732491367671 85.468 > 7 8 Rb 0.89405269561542 0.00000000000000 0.89732491367671 85.468 > 7 9 Rb 0.25000000000000 0.80806758539477 0.00000000000000 85.468 > 9 10 Rb 0.75000000000000 0.80806758539477 0.00000000000000 85.468 > 9 11 Rb 0.25000000000000 0.19193241460523 0.00000000000000 85.468 > 11 12 Rb 0.75000000000000 0.19193241460523 0.00000000000000 85.468 > 11 13 Rb 0.10594730438458 0.00000000000000 0.10267508632329 85.468 > 13 14 Rb 0.60594730438458 0.00000000000000 0.10267508632329 85.468 > 13 15 Rb 0.32528590868714 0.74023463947329 0.30249091827968 85.468 > 15 16 Rb 0.82528590868714 0.74023463947329 0.30249091827968 85.468 > 15 17 Rb 0.32528590868714 0.25976536052671 0.30249091827968 85.468 > 17 18 Rb 0.82528590868714 0.25976536052671 0.30249091827968 85.468 > 17 19 Rb 0.36472691413429 0.00000000000000 0.46839597426052 85.468 > 19 20 Rb 0.86472691413429 0.00000000000000 0.46839597426052 85.468 > 19 21 Rb 0.38527308586571 0.50000000000000 0.53160402573948 85.468 > 1 22 Rb 0.88527308586571 0.50000000000000 0.53160402573948 85.468 > 1 23 Rb 0.42471409131286 0.24023463947329 0.69750908172032 85.468 > 3 24 Rb 0.92471409131286 0.24023463947329 0.69750908172032 85.468 > 3 25 Rb 0.42471409131286 0.75976536052671 0.69750908172032 85.468 > 5 26 Rb 0.92471409131286 0.75976536052671 0.69750908172032 85.468 > 5 27 Rb 0.14405269561542 0.50000000000000 0.89732491367671 85.468 > 7 28 Rb 0.64405269561542 0.50000000000000 0.89732491367671 85.468 > 7 29 Rb 0.00000000000000 0.30806758539477 0.00000000000000 85.468 > 9 30 Rb 0.50000000000000 0.30806758539477 0.00000000000000 85.468 > 9 31 Rb 0.00000000000000 0.69193241460523 0.00000000000000 85.468 > 11 32 Rb 0.50000000000000 0.69193241460523 0.00000000000000 85.468 > 11 33 Rb 0.35594730438458 0.50000000000000 0.10267508632329 85.468 > 13 34 Rb 0.85594730438458 0.50000000000000 0.10267508632329 85.468 > 13 35 Rb 0.07528590868714 0.24023463947329 0.30249091827968 85.468 > 15 36 Rb 0.57528590868714 0.24023463947329 0.30249091827968 85.468 > 15 37 Rb 0.07528590868714 0.75976536052671 0.30249091827968 85.468 > 17 38 Rb 0.57528590868714 0.75976536052671 0.30249091827968 85.468 > 17 39 Rb 0.11472691413429 0.50000000000000 0.46839597426052 85.468 > 19 40 Rb 0.61472691413429 0.50000000000000 0.46839597426052 85.468 > 19 41 Si 0.08513382541252 0.00000000000000 0.80413504130625 28.085 > 41 42 Si 0.58513382541253 0.00000000000000 0.80413504130625 28.085 > 41 43 Si 0.41486617458747 0.00000000000000 0.19586495869375 28.085 > 43 44 Si 0.91486617458747 0.00000000000000 0.19586495869375 28.085 > 43 45 Si 0.33513382541253 0.50000000000000 0.80413504130625 28.085 > 41 46 Si 0.83513382541253 0.50000000000000 0.80413504130625 28.085 > 41 47 Si 0.16486617458747 0.50000000000000 0.19586495869375 28.085 > 43 48 Si 0.66486617458747 0.50000000000000 0.19586495869375 28.085 > 43 49 H 0.25000000000000 0.71179020229238 0.50000000000000 1.008 > 49 50 H 0.75000000000000 0.71179020229238 0.50000000000000 1.008 > 49 51 H 0.25000000000000 0.28820979770762 0.50000000000000 1.008 > 51 52 H 0.75000000000000 0.28820979770762 0.50000000000000 1.008 > 51 53 H 0.00000000000000 0.21179020229238 0.50000000000000 1.008 > 49 54 H 0.50000000000000 0.21179020229238 0.50000000000000 1.008 > 49 55 H 0.00000000000000 0.78820979770762 0.50000000000000 1.008 > 51 56 H 0.50000000000000 0.78820979770762 0.50000000000000 1.008 > 51 57 O 0.25000000000000 0.80211624283906 0.50000000000000 15.999 > 57 58 O 0.75000000000000 0.80211624283906 0.50000000000000 15.999 > 57 59 O 0.25000000000000 0.19788375716094 0.50000000000000 15.999 > 59 60 O 0.75000000000000 0.19788375716094 0.50000000000000 15.999 > 59 61 O 0.01038236337178 0.00000000000000 0.67106853734960 15.999 > 61 62 O 0.51038236337178 0.00000000000000 0.67106853734960 15.999 > 61 63 O 0.19603501998280 0.00000000000000 0.79845036052322 15.999 > 63 64 O 0.69603501998280 0.00000000000000 0.79845036052322 15.999 > 63 65 O 0.06472753720364 0.87504034767786 0.87530461182226 15.999 > 65 66 O 0.56472753720364 0.87504034767786 0.87530461182226 15.999 > 65 67 O 0.06472753720364 0.12495965232214 0.87530461182226 15.999 > 67 68 O 0.56472753720364 0.12495965232214 0.87530461182226 15.999 > 67 69 O 0.43527246279636 0.87504034767786 0.12469538817774 15.999 > 69 70 O 0.93527246279636 0.87504034767786 0.12469538817774 15.999 > 69 71 O 0.43527246279636 0.12495965232214 0.12469538817774 15.999 > 71 72 O 0.93527246279636 0.12495965232214 0.12469538817774 15.999 > 71 73 O 0.30396498001720 0.00000000000000 0.20154963947678 15.999 > 73 74 O 0.80396498001720 0.00000000000000 0.20154963947678 15.999 > 73 75 O 0.48961763662822 0.00000000000000 0.32893146265040 15.999 > 75 76 O 0.98961763662822 0.00000000000000 0.32893146265040 15.999 > 75 77 O 0.00000000000000 0.30211624283906 0.50000000000000 15.999 > 57 78 O 0.50000000000000 0.30211624283906 0.50000000000000 15.999 > 57 79 O 0.00000000000000 0.69788375716094 0.50000000000000 15.999 > 59 80 O 0.50000000000000 0.69788375716094 0.50000000000000 15.999 > 59 81 O 0.26038236337178 0.50000000000000 0.67106853734960 15.999 > 61 82 O 0.76038236337178 0.50000000000000 0.67106853734960 15.999 > 61 83 O 0.44603501998280 0.50000000000000 0.79845036052322 15.999 > 63 84 O 0.94603501998280 0.50000000000000 0.79845036052322 15.999 > 63 85 O 0.31472753720364 0.37504034767786 0.87530461182226 15.999 > 65 86 O 0.81472753720364 0.37504034767786 0.87530461182226 15.999 > 65 87 O 0.31472753720364 0.62495965232214 0.87530461182226 15.999 > 67 88 O 0.81472753720364 0.62495965232214 0.87530461182226 15.999 > 67 89 O 0.18527246279636 0.37504034767786 0.12469538817774 15.999 > 69 90 O 0.68527246279636 0.37504034767786 0.12469538817774 15.999 > 69 91 O 0.18527246279636 0.62495965232214 0.12469538817774 15.999 > 71 92 O 0.68527246279636 0.62495965232214 0.12469538817774 15.999 > 71 93 O 0.05396498001720 0.50000000000000 0.20154963947678 15.999 > 73 94 O 0.55396498001720 0.50000000000000 0.20154963947678 15.999 > 73 95 O 0.23961763662822 0.50000000000000 0.32893146265040 15.999 > 75 96 O 0.73961763662822 0.50000000000000 0.32893146265040 15.999 > 75 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7938103 0.0000000 -0.0171190 0.0000000 2.7871054 0.0000000 -0.0171191 0.0000000 2.8253798 -------------------------- Born effective charges -------------------------- 1 Rb 1.1945394 0.0000000 -0.0086379 0.0000000 1.1462574 0.0000000 -0.0071793 0.0000000 1.3149908 2 Rb 1.1042101 -0.2517850 0.0402282 -0.2383555 1.2483224 -0.0112354 0.0379310 0.0011271 1.2178392 3 Rb 1.1042101 0.2517850 0.0402282 0.2383555 1.2483224 0.0112354 0.0379310 -0.0011271 1.2178392 4 Rb 1.4638472 0.0000000 -0.0197061 0.0000000 1.0275194 0.0000000 -0.0593897 0.0000000 1.1933794 5 Rb 1.2091363 0.0000000 0.0877191 0.0000000 1.2505533 0.0000000 0.0866864 0.0000000 1.1558594 6 Rb 1.2091363 0.0000000 0.0877191 0.0000000 1.2505533 0.0000000 0.0866864 0.0000000 1.1558594 7 Rb 1.4638472 0.0000000 -0.0197061 0.0000000 1.0275194 0.0000000 -0.0593897 0.0000000 1.1933794 8 Rb 1.1042101 0.2517850 0.0402282 0.2383555 1.2483224 0.0112354 0.0379310 -0.0011271 1.2178392 9 Rb 1.1042101 -0.2517850 0.0402282 -0.2383555 1.2483224 -0.0112354 0.0379310 0.0011271 1.2178392 10 Rb 1.1945394 0.0000000 -0.0086379 0.0000000 1.1462574 0.0000000 -0.0071793 0.0000000 1.3149908 11 Si 2.5957228 0.0000000 -0.0615443 0.0000000 2.5051608 0.0000000 0.0304087 0.0000000 2.5699518 12 Si 2.5957228 0.0000000 -0.0615443 0.0000000 2.5051608 0.0000000 0.0304087 0.0000000 2.5699518 13 H 0.3018808 0.0000000 0.0016222 0.0000000 0.0301402 0.0000000 -0.0059416 0.0000000 0.4377345 14 H 0.3018808 0.0000000 0.0016222 0.0000000 0.0301402 0.0000000 -0.0059416 0.0000000 0.4377345 15 O -1.5493325 0.0000000 0.0360903 0.0000000 -1.1323543 0.0000000 0.0513798 0.0000000 -1.5818032 16 O -1.5493325 0.0000000 0.0360903 0.0000000 -1.1323543 0.0000000 0.0513798 0.0000000 -1.5818032 17 O -1.6299260 0.0000000 -0.2838393 0.0000000 -1.5533760 0.0000000 -0.3645008 0.0000000 -2.3967253 18 O -2.3992970 0.0000000 -0.0893988 0.0000000 -1.5424674 0.0000000 -0.0650497 0.0000000 -1.5559008 19 O -1.6974956 -0.2296427 0.1286192 -0.3037245 -2.1140391 0.3545403 0.1288620 0.3450528 -1.7865825 20 O -1.6974956 0.2296427 0.1286192 0.3037245 -2.1140391 -0.3545403 0.1288620 -0.3450528 -1.7865825 21 O -1.6974956 0.2296427 0.1286192 0.3037245 -2.1140391 -0.3545403 0.1288620 -0.3450528 -1.7865825 22 O -1.6974956 -0.2296427 0.1286192 -0.3037245 -2.1140391 0.3545403 0.1288620 0.3450528 -1.7865825 23 O -2.3992970 0.0000000 -0.0893988 0.0000000 -1.5424674 0.0000000 -0.0650497 0.0000000 -1.5559008 24 O -1.6299260 0.0000000 -0.2838393 0.0000000 -1.5533760 0.0000000 -0.3645008 0.0000000 -2.3967253 ---------------------------------------------------------------------------- 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 61, 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 63, 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:04:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:04:04]------------------------- 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 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.705657519486343 -5.409815344999999 0.000000000000000 b 3.705657519486343 5.409815344999999 0.000000000000000 c -3.388220441926589 0.000000000000000 11.475920589080728 Atomic positions (fractional): 1 Rb 0.27054617173142 0.27054617173142 0.53160402573948 85.468 2 Rb 0.60919354315243 0.08966282209900 0.69750908172032 85.468 3 Rb 0.08966282209900 0.60919354315243 0.69750908172032 85.468 4 Rb 0.78810539123084 0.78810539123084 0.89732491367671 85.468 5 Rb 0.69193241460523 0.30806758539477 0.00000000000000 85.468 6 Rb 0.30806758539477 0.69193241460523 0.00000000000000 85.468 7 Rb 0.21189460876916 0.21189460876916 0.10267508632329 85.468 8 Rb 0.91033717790100 0.39080645684757 0.30249091827968 85.468 9 Rb 0.39080645684757 0.91033717790100 0.30249091827968 85.468 10 Rb 0.72945382826858 0.72945382826858 0.46839597426052 85.468 11 Si 0.17026765082505 0.17026765082505 0.80413504130625 28.085 12 Si 0.82973234917495 0.82973234917495 0.19586495869375 28.085 13 H 0.78820979770762 0.21179020229238 0.50000000000000 1.008 14 H 0.21179020229238 0.78820979770762 0.50000000000000 1.008 15 O 0.69788375716094 0.30211624283906 0.50000000000000 15.999 16 O 0.30211624283906 0.69788375716094 0.50000000000000 15.999 17 O 0.02076472674355 0.02076472674355 0.67106853734960 15.999 18 O 0.39207003996560 0.39207003996560 0.79845036052322 15.999 19 O 0.25441472672942 0.00449542208513 0.87530461182226 15.999 20 O 0.00449542208513 0.25441472672942 0.87530461182226 15.999 21 O 0.99550457791487 0.74558527327058 0.12469538817774 15.999 22 O 0.74558527327058 0.99550457791487 0.12469538817774 15.999 23 O 0.60792996003440 0.60792996003440 0.20154963947678 15.999 24 O 0.97923527325645 0.97923527325645 0.32893146265040 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.822630077945371 0.000000000000000 0.000000000000000 b 0.000000000000000 10.819630689999999 0.000000000000000 c -3.388220441926589 0.000000000000000 11.475920589080728 Atomic positions (fractional): 1 Rb 0.13527308586571 0.00000000000000 0.53160402573948 85.468 > 1 2 Rb 0.63527308586571 0.00000000000000 0.53160402573948 85.468 > 1 3 Rb 0.17471409131286 0.74023463947329 0.69750908172032 85.468 > 3 4 Rb 0.67471409131286 0.74023463947329 0.69750908172032 85.468 > 3 5 Rb 0.17471409131286 0.25976536052671 0.69750908172032 85.468 > 5 6 Rb 0.67471409131286 0.25976536052671 0.69750908172032 85.468 > 5 7 Rb 0.39405269561542 0.00000000000000 0.89732491367671 85.468 > 7 8 Rb 0.89405269561542 0.00000000000000 0.89732491367671 85.468 > 7 9 Rb 0.25000000000000 0.80806758539477 0.00000000000000 85.468 > 9 10 Rb 0.75000000000000 0.80806758539477 0.00000000000000 85.468 > 9 11 Rb 0.25000000000000 0.19193241460523 0.00000000000000 85.468 > 11 12 Rb 0.75000000000000 0.19193241460523 0.00000000000000 85.468 > 11 13 Rb 0.10594730438458 0.00000000000000 0.10267508632329 85.468 > 13 14 Rb 0.60594730438458 0.00000000000000 0.10267508632329 85.468 > 13 15 Rb 0.32528590868714 0.74023463947329 0.30249091827968 85.468 > 15 16 Rb 0.82528590868714 0.74023463947329 0.30249091827968 85.468 > 15 17 Rb 0.32528590868714 0.25976536052671 0.30249091827968 85.468 > 17 18 Rb 0.82528590868714 0.25976536052671 0.30249091827968 85.468 > 17 19 Rb 0.36472691413429 0.00000000000000 0.46839597426052 85.468 > 19 20 Rb 0.86472691413429 0.00000000000000 0.46839597426052 85.468 > 19 21 Rb 0.38527308586571 0.50000000000000 0.53160402573948 85.468 > 1 22 Rb 0.88527308586571 0.50000000000000 0.53160402573948 85.468 > 1 23 Rb 0.42471409131286 0.24023463947329 0.69750908172032 85.468 > 3 24 Rb 0.92471409131286 0.24023463947329 0.69750908172032 85.468 > 3 25 Rb 0.42471409131286 0.75976536052671 0.69750908172032 85.468 > 5 26 Rb 0.92471409131286 0.75976536052671 0.69750908172032 85.468 > 5 27 Rb 0.14405269561542 0.50000000000000 0.89732491367671 85.468 > 7 28 Rb 0.64405269561542 0.50000000000000 0.89732491367671 85.468 > 7 29 Rb 0.00000000000000 0.30806758539477 0.00000000000000 85.468 > 9 30 Rb 0.50000000000000 0.30806758539477 0.00000000000000 85.468 > 9 31 Rb 0.00000000000000 0.69193241460523 0.00000000000000 85.468 > 11 32 Rb 0.50000000000000 0.69193241460523 0.00000000000000 85.468 > 11 33 Rb 0.35594730438458 0.50000000000000 0.10267508632329 85.468 > 13 34 Rb 0.85594730438458 0.50000000000000 0.10267508632329 85.468 > 13 35 Rb 0.07528590868714 0.24023463947329 0.30249091827968 85.468 > 15 36 Rb 0.57528590868714 0.24023463947329 0.30249091827968 85.468 > 15 37 Rb 0.07528590868714 0.75976536052671 0.30249091827968 85.468 > 17 38 Rb 0.57528590868714 0.75976536052671 0.30249091827968 85.468 > 17 39 Rb 0.11472691413429 0.50000000000000 0.46839597426052 85.468 > 19 40 Rb 0.61472691413429 0.50000000000000 0.46839597426052 85.468 > 19 41 Si 0.08513382541252 0.00000000000000 0.80413504130625 28.085 > 41 42 Si 0.58513382541253 0.00000000000000 0.80413504130625 28.085 > 41 43 Si 0.41486617458747 0.00000000000000 0.19586495869375 28.085 > 43 44 Si 0.91486617458747 0.00000000000000 0.19586495869375 28.085 > 43 45 Si 0.33513382541253 0.50000000000000 0.80413504130625 28.085 > 41 46 Si 0.83513382541253 0.50000000000000 0.80413504130625 28.085 > 41 47 Si 0.16486617458747 0.50000000000000 0.19586495869375 28.085 > 43 48 Si 0.66486617458747 0.50000000000000 0.19586495869375 28.085 > 43 49 H 0.25000000000000 0.71179020229238 0.50000000000000 1.008 > 49 50 H 0.75000000000000 0.71179020229238 0.50000000000000 1.008 > 49 51 H 0.25000000000000 0.28820979770762 0.50000000000000 1.008 > 51 52 H 0.75000000000000 0.28820979770762 0.50000000000000 1.008 > 51 53 H 0.00000000000000 0.21179020229238 0.50000000000000 1.008 > 49 54 H 0.50000000000000 0.21179020229238 0.50000000000000 1.008 > 49 55 H 0.00000000000000 0.78820979770762 0.50000000000000 1.008 > 51 56 H 0.50000000000000 0.78820979770762 0.50000000000000 1.008 > 51 57 O 0.25000000000000 0.80211624283906 0.50000000000000 15.999 > 57 58 O 0.75000000000000 0.80211624283906 0.50000000000000 15.999 > 57 59 O 0.25000000000000 0.19788375716094 0.50000000000000 15.999 > 59 60 O 0.75000000000000 0.19788375716094 0.50000000000000 15.999 > 59 61 O 0.01038236337178 0.00000000000000 0.67106853734960 15.999 > 61 62 O 0.51038236337178 0.00000000000000 0.67106853734960 15.999 > 61 63 O 0.19603501998280 0.00000000000000 0.79845036052322 15.999 > 63 64 O 0.69603501998280 0.00000000000000 0.79845036052322 15.999 > 63 65 O 0.06472753720364 0.87504034767786 0.87530461182226 15.999 > 65 66 O 0.56472753720364 0.87504034767786 0.87530461182226 15.999 > 65 67 O 0.06472753720364 0.12495965232214 0.87530461182226 15.999 > 67 68 O 0.56472753720364 0.12495965232214 0.87530461182226 15.999 > 67 69 O 0.43527246279636 0.87504034767786 0.12469538817774 15.999 > 69 70 O 0.93527246279636 0.87504034767786 0.12469538817774 15.999 > 69 71 O 0.43527246279636 0.12495965232214 0.12469538817774 15.999 > 71 72 O 0.93527246279636 0.12495965232214 0.12469538817774 15.999 > 71 73 O 0.30396498001720 0.00000000000000 0.20154963947678 15.999 > 73 74 O 0.80396498001720 0.00000000000000 0.20154963947678 15.999 > 73 75 O 0.48961763662822 0.00000000000000 0.32893146265040 15.999 > 75 76 O 0.98961763662822 0.00000000000000 0.32893146265040 15.999 > 75 77 O 0.00000000000000 0.30211624283906 0.50000000000000 15.999 > 57 78 O 0.50000000000000 0.30211624283906 0.50000000000000 15.999 > 57 79 O 0.00000000000000 0.69788375716094 0.50000000000000 15.999 > 59 80 O 0.50000000000000 0.69788375716094 0.50000000000000 15.999 > 59 81 O 0.26038236337178 0.50000000000000 0.67106853734960 15.999 > 61 82 O 0.76038236337178 0.50000000000000 0.67106853734960 15.999 > 61 83 O 0.44603501998280 0.50000000000000 0.79845036052322 15.999 > 63 84 O 0.94603501998280 0.50000000000000 0.79845036052322 15.999 > 63 85 O 0.31472753720364 0.37504034767786 0.87530461182226 15.999 > 65 86 O 0.81472753720364 0.37504034767786 0.87530461182226 15.999 > 65 87 O 0.31472753720364 0.62495965232214 0.87530461182226 15.999 > 67 88 O 0.81472753720364 0.62495965232214 0.87530461182226 15.999 > 67 89 O 0.18527246279636 0.37504034767786 0.12469538817774 15.999 > 69 90 O 0.68527246279636 0.37504034767786 0.12469538817774 15.999 > 69 91 O 0.18527246279636 0.62495965232214 0.12469538817774 15.999 > 71 92 O 0.68527246279636 0.62495965232214 0.12469538817774 15.999 > 71 93 O 0.05396498001720 0.50000000000000 0.20154963947678 15.999 > 73 94 O 0.55396498001720 0.50000000000000 0.20154963947678 15.999 > 73 95 O 0.23961763662822 0.50000000000000 0.32893146265040 15.999 > 75 96 O 0.73961763662822 0.50000000000000 0.32893146265040 15.999 > 75 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7938103 0.0000000 -0.0171190 0.0000000 2.7871054 0.0000000 -0.0171191 0.0000000 2.8253798 -------------------------- Born effective charges -------------------------- 1 Rb 1.1945394 0.0000000 -0.0086379 0.0000000 1.1462574 0.0000000 -0.0071793 0.0000000 1.3149908 2 Rb 1.1042101 -0.2517850 0.0402282 -0.2383555 1.2483224 -0.0112354 0.0379310 0.0011271 1.2178392 3 Rb 1.1042101 0.2517850 0.0402282 0.2383555 1.2483224 0.0112354 0.0379310 -0.0011271 1.2178392 4 Rb 1.4638472 0.0000000 -0.0197061 0.0000000 1.0275194 0.0000000 -0.0593897 0.0000000 1.1933794 5 Rb 1.2091363 0.0000000 0.0877191 0.0000000 1.2505533 0.0000000 0.0866864 0.0000000 1.1558594 6 Rb 1.2091363 0.0000000 0.0877191 0.0000000 1.2505533 0.0000000 0.0866864 0.0000000 1.1558594 7 Rb 1.4638472 0.0000000 -0.0197061 0.0000000 1.0275194 0.0000000 -0.0593897 0.0000000 1.1933794 8 Rb 1.1042101 0.2517850 0.0402282 0.2383555 1.2483224 0.0112354 0.0379310 -0.0011271 1.2178392 9 Rb 1.1042101 -0.2517850 0.0402282 -0.2383555 1.2483224 -0.0112354 0.0379310 0.0011271 1.2178392 10 Rb 1.1945394 0.0000000 -0.0086379 0.0000000 1.1462574 0.0000000 -0.0071793 0.0000000 1.3149908 11 Si 2.5957228 0.0000000 -0.0615443 0.0000000 2.5051608 0.0000000 0.0304087 0.0000000 2.5699518 12 Si 2.5957228 0.0000000 -0.0615443 0.0000000 2.5051608 0.0000000 0.0304087 0.0000000 2.5699518 13 H 0.3018808 0.0000000 0.0016222 0.0000000 0.0301402 0.0000000 -0.0059416 0.0000000 0.4377345 14 H 0.3018808 0.0000000 0.0016222 0.0000000 0.0301402 0.0000000 -0.0059416 0.0000000 0.4377345 15 O -1.5493325 0.0000000 0.0360903 0.0000000 -1.1323543 0.0000000 0.0513798 0.0000000 -1.5818032 16 O -1.5493325 0.0000000 0.0360903 0.0000000 -1.1323543 0.0000000 0.0513798 0.0000000 -1.5818032 17 O -1.6299260 0.0000000 -0.2838393 0.0000000 -1.5533760 0.0000000 -0.3645008 0.0000000 -2.3967253 18 O -2.3992970 0.0000000 -0.0893988 0.0000000 -1.5424674 0.0000000 -0.0650497 0.0000000 -1.5559008 19 O -1.6974956 -0.2296427 0.1286192 -0.3037245 -2.1140391 0.3545403 0.1288620 0.3450528 -1.7865825 20 O -1.6974956 0.2296427 0.1286192 0.3037245 -2.1140391 -0.3545403 0.1288620 -0.3450528 -1.7865825 21 O -1.6974956 0.2296427 0.1286192 0.3037245 -2.1140391 -0.3545403 0.1288620 -0.3450528 -1.7865825 22 O -1.6974956 -0.2296427 0.1286192 -0.3037245 -2.1140391 0.3545403 0.1288620 0.3450528 -1.7865825 23 O -2.3992970 0.0000000 -0.0893988 0.0000000 -1.5424674 0.0000000 -0.0650497 0.0000000 -1.5559008 24 O -1.6299260 0.0000000 -0.2838393 0.0000000 -1.5533760 0.0000000 -0.3645008 0.0000000 -2.3967253 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) Max drift of fc2: 0.00000000 (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 8 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.54, Number of G-points: 303, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/78) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 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 1.005 ( 0.000 0.000 0.000) 0.000 1.409 ( 0.000 0.000 0.000) 0.000 1.459 ( 0.000 0.000 0.000) 0.000 1.686 ( 0.000 0.000 0.000) 0.000 1.690 ( 0.000 0.000 0.000) 0.000 1.780 ( 0.000 0.000 0.000) 0.000 1.822 ( 0.000 0.000 0.000) 0.000 1.881 ( 0.000 0.000 0.000) 0.000 2.018 ( 0.000 0.000 0.000) 0.000 2.378 ( 0.000 0.000 0.000) 0.000 2.381 ( 0.000 0.000 0.000) 0.000 2.388 ( 0.000 0.000 0.000) 0.000 2.420 ( 0.000 0.000 0.000) 0.000 2.660 ( 0.000 0.000 0.000) 0.000 2.707 ( 0.000 0.000 0.000) 0.000 2.747 ( 0.000 0.000 0.000) 0.000 2.754 ( 0.000 0.000 0.000) 0.000 2.924 ( 0.000 0.000 0.000) 0.000 2.952 ( 0.000 0.000 0.000) 0.000 3.034 ( 0.000 0.000 0.000) 0.000 3.074 ( 0.000 0.000 0.000) 0.000 3.126 ( 0.000 0.000 0.000) 0.000 3.129 ( 0.000 0.000 0.000) 0.000 3.221 ( 0.000 0.000 0.000) 0.000 3.248 ( 0.000 0.000 0.000) 0.000 3.352 ( 0.000 0.000 0.000) 0.000 3.480 ( 0.000 0.000 0.000) 0.000 3.978 ( 0.000 0.000 0.000) 0.000 3.998 ( 0.000 0.000 0.000) 0.000 4.001 ( 0.000 0.000 0.000) 0.000 4.327 ( 0.000 0.000 0.000) 0.000 4.452 ( 0.000 0.000 0.000) 0.000 4.556 ( 0.000 0.000 0.000) 0.000 4.661 ( 0.000 0.000 0.000) 0.000 4.670 ( 0.000 0.000 0.000) 0.000 4.855 ( 0.000 0.000 0.000) 0.000 4.994 ( 0.000 0.000 0.000) 0.000 5.041 ( 0.000 0.000 0.000) 0.000 5.096 ( 0.000 0.000 0.000) 0.000 5.607 ( 0.000 0.000 0.000) 0.000 5.794 ( 0.000 0.000 0.000) 0.000 6.157 ( 0.000 0.000 0.000) 0.000 6.230 ( 0.000 0.000 0.000) 0.000 6.246 ( 0.000 0.000 0.000) 0.000 6.293 ( 0.000 0.000 0.000) 0.000 9.817 ( 0.000 0.000 0.000) 0.000 9.862 ( 0.000 0.000 0.000) 0.000 10.271 ( 0.000 0.000 0.000) 0.000 10.680 ( 0.000 0.000 0.000) 0.000 13.316 ( 0.000 0.000 0.000) 0.000 13.492 ( 0.000 0.000 0.000) 0.000 13.731 ( 0.000 0.000 0.000) 0.000 13.847 ( 0.000 0.000 0.000) 0.000 13.944 ( 0.000 0.000 0.000) 0.000 13.966 ( 0.000 0.000 0.000) 0.000 14.079 ( 0.000 0.000 0.000) 0.000 14.764 ( 0.000 0.000 0.000) 0.000 16.304 ( 0.000 0.000 0.000) 0.000 16.407 ( 0.000 0.000 0.000) 0.000 22.572 ( 0.000 0.000 0.000) 0.000 22.582 ( 0.000 0.000 0.000) 0.000 24.180 ( 0.000 0.000 0.000) 0.000 24.233 ( 0.000 0.000 0.000) 0.000 24.580 ( 0.000 0.000 0.000) 0.000 24.769 ( 0.000 0.000 0.000) 0.000 25.024 ( 0.000 0.000 0.000) 0.000 25.800 ( 0.000 0.000 0.000) 0.000 110.418 ( 0.000 0.000 0.000) 0.000 110.428 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/78) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.405 ( 16.286 -7.843 5.481) 18.889 0.424 ( 13.964 -13.011 3.319) 19.373 0.769 ( 29.760 -13.603 13.690) 35.470 1.089 ( 5.366 -7.161 -5.186) 10.343 1.412 ( 1.973 0.122 -2.784) 3.414 1.516 ( 6.373 1.635 0.382) 6.591 1.646 ( 0.249 0.048 -7.139) 7.143 1.743 ( 0.652 -0.336 9.492) 9.521 1.816 ( 3.603 -0.922 -1.686) 4.084 1.828 ( 0.691 -0.379 -1.583) 1.768 1.909 ( 4.171 3.115 -1.004) 5.302 2.068 ( 1.194 -5.807 0.660) 5.965 2.263 ( -5.398 5.991 2.328) 8.394 2.363 ( -1.355 0.850 -1.443) 2.154 2.394 ( 0.871 0.590 -3.883) 4.022 2.438 ( -0.676 -0.069 -1.327) 1.491 2.632 ( -2.934 0.428 -0.301) 2.980 2.693 ( -3.520 -0.426 1.034) 3.693 2.751 ( 2.055 0.124 2.228) 3.034 2.810 ( 0.275 -5.646 -7.671) 9.529 2.882 ( -2.258 -3.790 -5.064) 6.716 2.948 ( -1.331 0.593 1.631) 2.187 3.032 ( -2.511 1.530 -3.575) 4.629 3.058 ( -2.628 0.157 -1.111) 2.858 3.073 ( 0.096 1.370 3.372) 3.641 3.175 ( 0.655 -2.724 -2.696) 3.889 3.272 ( 1.942 0.395 2.446) 3.148 3.329 ( 3.098 -0.760 5.590) 6.436 3.409 ( 6.446 -1.022 5.438) 8.496 3.481 ( -0.149 -0.651 2.843) 2.920 3.944 ( -3.334 -2.253 -3.553) 5.368 4.021 ( 0.899 -1.084 2.332) 2.724 4.133 ( -6.399 -10.112 4.566) 12.808 4.338 ( 1.345 0.193 0.494) 1.446 4.503 ( -0.421 3.050 -0.873) 3.200 4.593 ( -1.967 -4.256 0.124) 4.690 4.679 ( 2.165 0.224 -1.288) 2.529 4.871 ( 1.987 0.008 0.001) 1.987 4.981 ( 0.030 0.562 -2.514) 2.577 5.026 ( -1.272 0.380 1.560) 2.048 5.101 ( 0.197 -0.355 0.012) 0.406 5.206 ( 8.945 -0.430 -21.617) 23.399 5.733 ( -1.550 3.617 1.912) 4.375 6.071 ( -5.508 -0.189 -7.180) 9.051 6.182 ( -7.401 5.553 7.780) 12.089 6.258 ( 0.932 -0.439 0.560) 1.173 6.322 ( 2.158 -5.589 2.626) 6.541 7.263 ( 5.047 21.454 4.316) 22.458 9.842 ( 3.654 1.169 -1.646) 4.174 9.891 ( 1.406 -0.843 3.295) 3.681 10.276 ( -0.667 -1.163 1.570) 2.065 10.665 ( -0.816 1.165 -1.002) 1.740 13.314 ( 0.029 0.547 0.645) 0.847 13.518 ( -0.827 0.229 6.838) 6.891 13.722 ( -1.537 0.580 -2.504) 2.995 13.918 ( -3.220 -0.557 -0.151) 3.271 13.991 ( 2.774 0.682 1.320) 3.147 14.073 ( -2.734 -3.147 -1.012) 4.290 14.160 ( 1.526 7.243 14.631) 16.397 14.716 ( -3.407 1.525 -2.933) 4.747 16.288 ( 1.161 4.188 -0.109) 4.348 16.513 ( 5.587 8.084 -2.914) 10.249 22.573 ( 0.189 0.202 -0.035) 0.279 22.587 ( 0.545 0.172 0.132) 0.586 24.206 ( 2.020 -1.194 -0.198) 2.354 24.402 ( -9.711 -19.157 0.225) 21.479 24.605 ( 0.861 -1.886 -11.018) 11.212 24.859 ( 7.636 -1.634 2.532) 8.209 25.696 ( -5.720 6.995 -0.014) 9.036 25.940 ( 7.420 17.387 8.561) 20.752 110.420 ( 0.212 -0.023 -0.001) 0.213 110.431 ( -0.045 -0.418 -0.019) 0.421 ======================= Grid point 2 (3/78) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 14.637 -6.554 2.062) 16.170 0.786 ( 10.060 -10.978 3.857) 15.382 1.227 ( 5.417 -6.832 -5.953) 10.558 1.337 ( 8.540 -5.300 3.227) 10.556 1.481 ( 8.588 3.480 0.788) 9.300 1.630 ( 8.868 -2.413 0.593) 9.210 1.702 ( 10.297 -3.741 2.062) 11.148 1.801 ( 2.080 2.508 2.709) 4.237 1.841 ( 2.431 0.525 2.990) 3.889 1.888 ( 4.526 -1.174 -3.519) 5.852 1.966 ( 4.444 -1.759 -2.312) 5.309 2.115 ( -4.071 3.480 2.535) 5.925 2.190 ( 2.146 -5.185 3.571) 6.651 2.312 ( -2.255 -0.002 -3.374) 4.058 2.365 ( -2.216 2.037 0.620) 3.073 2.387 ( -2.180 1.088 -2.287) 3.341 2.566 ( -4.488 1.256 0.508) 4.688 2.623 ( -1.965 0.386 -1.515) 2.511 2.817 ( 0.091 0.461 4.504) 4.529 2.844 ( -1.094 -5.332 -9.517) 10.964 2.855 ( -2.700 -3.877 -0.502) 4.751 2.911 ( -3.535 0.041 -2.217) 4.173 2.963 ( 1.083 -0.354 0.721) 1.348 3.034 ( 0.384 -0.141 -0.134) 0.431 3.094 ( 1.471 0.610 2.788) 3.211 3.192 ( 1.746 1.847 -2.166) 3.339 3.306 ( 0.713 1.095 3.982) 4.191 3.374 ( 1.554 -0.375 0.826) 1.800 3.462 ( 0.109 0.263 0.046) 0.288 3.626 ( 5.635 -3.261 5.998) 8.852 3.894 ( -2.946 -0.939 -3.588) 4.737 4.085 ( 2.792 -1.517 3.414) 4.664 4.163 ( -1.610 -4.445 2.843) 5.517 4.363 ( 2.196 1.599 -0.195) 2.723 4.425 ( -3.220 2.682 -2.611) 4.938 4.579 ( -3.786 -3.416 -2.152) 5.535 4.726 ( 3.335 0.262 -1.115) 3.527 4.910 ( 2.301 0.801 -0.349) 2.461 4.966 ( 0.809 0.963 -2.370) 2.684 5.024 ( 0.130 -0.352 2.620) 2.647 5.122 ( 1.204 -1.435 2.151) 2.852 5.258 ( 7.131 1.984 -9.417) 11.978 5.672 ( -3.255 0.459 0.768) 3.376 5.888 ( -6.767 3.737 -11.435) 13.803 6.013 ( -10.835 3.530 11.304) 16.051 6.289 ( 1.806 0.238 0.435) 1.873 6.456 ( 2.370 -7.073 2.377) 7.830 7.078 ( -2.042 14.867 -0.409) 15.012 9.889 ( 4.760 1.992 -2.036) 5.547 9.944 ( 1.048 -1.045 4.115) 4.373 10.288 ( -1.145 -1.775 2.331) 3.146 10.620 ( -1.055 2.228 -1.857) 3.087 13.312 ( 0.068 0.706 1.085) 1.296 13.531 ( -0.747 -0.100 2.666) 2.770 13.694 ( 1.801 1.768 -1.152) 2.774 13.863 ( -3.602 -0.664 -0.078) 3.663 14.028 ( -3.490 -2.541 0.822) 4.394 14.054 ( 1.784 0.577 -1.156) 2.203 14.186 ( 2.462 2.372 5.847) 6.773 14.605 ( -4.973 1.785 -3.528) 6.353 16.252 ( 1.669 5.802 -0.103) 6.038 16.494 ( 2.813 5.681 -0.847) 6.395 22.575 ( 0.372 0.190 -0.005) 0.418 22.595 ( 0.608 0.267 0.002) 0.663 24.261 ( 2.375 -1.572 -0.255) 2.859 24.477 ( -1.808 -10.138 -0.806) 10.329 24.595 ( 0.478 -0.664 -3.495) 3.589 25.058 ( 9.370 -3.359 5.595) 11.419 25.495 ( -7.334 6.111 -2.044) 9.763 25.866 ( -0.412 9.757 1.275) 9.849 110.424 ( 0.209 -0.026 -0.002) 0.210 110.437 ( 0.093 -0.493 -0.006) 0.502 ======================= Grid point 3 (4/78) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 5.461 -7.544 3.064) 9.804 1.062 ( 11.251 -3.678 0.051) 11.837 1.304 ( -0.091 -3.300 -4.901) 5.909 1.427 ( 2.264 -1.006 0.558) 2.539 1.507 ( 1.960 2.125 -1.890) 3.454 1.714 ( -1.070 4.175 -0.001) 4.309 1.839 ( 9.200 1.647 -2.449) 9.662 1.905 ( 0.918 -1.409 -0.243) 1.699 1.910 ( 2.417 -0.816 6.801) 7.263 2.015 ( 5.977 -0.776 -4.031) 7.251 2.089 ( 0.860 -2.628 3.974) 4.842 2.159 ( 13.514 -4.092 3.579) 14.567 2.206 ( -3.142 1.015 -6.620) 7.398 2.268 ( -2.480 3.416 6.075) 7.397 2.334 ( -3.804 -2.278 0.037) 4.434 2.367 ( 2.266 -3.044 1.900) 4.244 2.484 ( -0.997 0.671 -0.678) 1.380 2.606 ( -0.812 0.465 0.789) 1.224 2.705 ( -6.908 1.727 0.469) 7.136 2.794 ( -2.689 0.576 -3.989) 4.845 2.882 ( 0.370 -1.398 2.392) 2.795 2.960 ( 1.790 -5.712 -1.604) 6.197 3.001 ( -0.373 -0.696 1.755) 1.925 3.051 ( 0.318 -1.604 -1.807) 2.437 3.143 ( 3.047 1.729 2.505) 4.307 3.177 ( 1.713 1.044 -1.083) 2.280 3.331 ( 1.742 -1.354 2.261) 3.159 3.389 ( -1.462 -0.379 -0.964) 1.792 3.464 ( 2.084 1.305 -0.692) 2.554 3.694 ( -2.861 0.149 -0.603) 2.928 3.846 ( -0.489 -0.660 -0.816) 1.158 4.141 ( -0.100 0.366 1.883) 1.920 4.214 ( 1.166 -2.580 1.597) 3.251 4.324 ( -2.821 1.352 -1.437) 3.442 4.375 ( 1.579 1.984 -2.077) 3.278 4.544 ( -2.522 -1.957 -1.560) 3.553 4.756 ( 1.142 0.151 -0.638) 1.316 4.910 ( 0.166 1.479 -0.229) 1.506 4.969 ( 1.933 1.339 -1.193) 2.637 5.046 ( -0.046 -1.085 0.531) 1.209 5.213 ( 3.094 -3.117 4.880) 6.565 5.302 ( 5.917 2.087 -6.827) 9.272 5.625 ( -3.642 -1.804 0.412) 4.085 5.707 ( -4.023 3.711 -4.905) 7.350 5.868 ( -7.248 1.388 7.230) 10.331 6.302 ( 0.500 1.665 0.054) 1.740 6.553 ( -0.179 -4.367 0.182) 4.374 6.898 ( -1.390 8.523 -0.236) 8.639 9.925 ( 3.170 1.950 -1.719) 4.099 9.984 ( 0.215 -0.897 2.817) 2.964 10.300 ( -0.905 -1.399 1.732) 2.403 10.571 ( -0.597 1.875 -1.623) 2.551 13.312 ( 0.073 0.444 0.866) 0.976 13.522 ( -0.752 0.097 0.226) 0.791 13.739 ( 4.699 0.876 1.921) 5.152 13.820 ( -2.106 -0.499 -0.087) 2.166 13.953 ( -6.711 -2.115 -2.599) 7.501 14.080 ( 1.881 1.842 0.788) 2.748 14.257 ( 4.599 -0.486 2.436) 5.227 14.484 ( -5.253 1.406 -2.517) 5.992 16.217 ( 1.188 4.033 -0.019) 4.204 16.472 ( 1.296 3.399 -0.173) 3.642 22.580 ( 0.290 0.104 0.043) 0.311 22.600 ( 0.361 0.197 -0.055) 0.415 24.310 ( 1.483 -1.106 -0.174) 1.858 24.548 ( 0.196 -4.598 -1.499) 4.840 24.602 ( 0.673 -0.530 -0.278) 0.901 25.273 ( 3.688 -1.650 8.546) 9.453 25.333 ( -0.381 0.351 -4.457) 4.487 25.723 ( -3.969 7.627 -2.013) 8.830 110.427 ( 0.101 -0.035 -0.001) 0.107 110.444 ( 0.119 -0.319 -0.002) 0.341 ======================= Grid point 4 (5/78) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 0.000 -0.000 0.000) 0.000 1.213 ( -0.000 0.000 0.000) 0.000 1.275 ( 0.000 0.000 0.000) 0.000 1.461 ( 0.000 -0.000 0.000) 0.000 1.507 ( 0.000 -0.000 0.000) 0.000 1.655 ( 0.000 -0.000 0.000) 0.000 1.909 ( 0.000 0.000 0.000) 0.000 1.916 ( -0.000 -0.000 -0.000) 0.000 1.995 ( 0.000 0.000 -0.000) 0.000 2.057 ( 0.000 -0.000 0.000) 0.000 2.100 ( 0.000 -0.000 0.000) 0.000 2.185 ( -0.000 0.000 0.000) 0.000 2.196 ( 0.000 -0.000 0.000) 0.000 2.255 ( 0.000 0.000 -0.000) 0.000 2.344 ( 0.000 0.000 -0.000) 0.000 2.438 ( 0.000 -0.000 0.000) 0.000 2.537 ( 0.000 0.000 0.000) 0.000 2.593 ( -0.000 -0.000 -0.000) 0.000 2.595 ( 0.000 -0.000 0.000) 0.000 2.758 ( 0.000 -0.000 0.000) 0.000 2.916 ( -0.000 0.000 -0.000) 0.000 2.973 ( 0.000 -0.000 0.000) 0.000 3.013 ( 0.000 0.000 -0.000) 0.000 3.050 ( 0.000 -0.000 0.000) 0.000 3.139 ( 0.000 -0.000 -0.000) 0.000 3.252 ( 0.000 -0.000 0.000) 0.000 3.340 ( 0.000 0.000 0.000) 0.000 3.395 ( 0.000 0.000 -0.000) 0.000 3.490 ( 0.000 -0.000 0.000) 0.000 3.607 ( 0.000 -0.000 0.000) 0.000 3.859 ( 0.000 -0.000 0.000) 0.000 4.119 ( 0.000 -0.000 0.000) 0.000 4.270 ( -0.000 0.000 -0.000) 0.000 4.274 ( 0.000 -0.000 0.000) 0.000 4.371 ( 0.000 -0.000 0.000) 0.000 4.530 ( 0.000 -0.000 0.000) 0.000 4.762 ( 0.000 -0.000 0.000) 0.000 4.900 ( 0.000 -0.000 0.000) 0.000 4.977 ( 0.000 -0.000 0.000) 0.000 5.053 ( 0.000 -0.000 0.000) 0.000 5.272 ( 0.000 -0.000 0.000) 0.000 5.341 ( 0.000 0.000 -0.000) 0.000 5.603 ( 0.000 -0.000 0.000) 0.000 5.625 ( 0.000 0.000 0.000) 0.000 5.827 ( 0.000 -0.000 -0.000) 0.000 6.285 ( 0.000 -0.000 0.000) 0.000 6.567 ( 0.000 -0.000 0.000) 0.000 6.845 ( 0.000 0.000 -0.000) 0.000 9.935 ( 0.000 -0.000 0.000) 0.000 9.998 ( 0.000 -0.000 0.000) 0.000 10.305 ( 0.000 -0.000 0.000) 0.000 10.550 ( 0.000 -0.000 -0.000) 0.000 13.312 ( 0.000 -0.000 0.000) 0.000 13.515 ( 0.000 -0.000 0.000) 0.000 13.804 ( 0.000 -0.000 -0.000) 0.000 13.826 ( 0.000 -0.000 0.000) 0.000 13.854 ( -0.000 -0.000 0.000) 0.000 14.086 ( 0.000 -0.000 0.000) 0.000 14.349 ( -0.000 0.000 -0.000) 0.000 14.384 ( 0.000 -0.000 0.000) 0.000 16.203 ( 0.000 -0.000 0.000) 0.000 16.462 ( 0.000 0.000 -0.000) 0.000 22.582 ( 0.000 -0.000 0.000) 0.000 22.602 ( 0.000 -0.000 -0.000) 0.000 24.329 ( 0.000 -0.000 0.000) 0.000 24.569 ( 0.000 -0.000 0.000) 0.000 24.616 ( 0.000 -0.000 0.000) 0.000 25.242 ( 0.000 -0.000 0.000) 0.000 25.466 ( 0.000 0.000 -0.000) 0.000 25.581 ( 0.000 -0.000 0.000) 0.000 110.428 ( 0.000 -0.000 0.000) 0.000 110.447 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 10 (6/78) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( 15.258 -0.000 5.343) 16.166 0.695 ( 17.662 -0.000 4.703) 18.277 1.137 ( 9.009 -0.000 -9.530) 13.114 1.248 ( 18.909 -0.000 5.725) 19.757 1.535 ( 16.614 -0.000 6.024) 17.672 1.605 ( -0.760 0.000 -5.232) 5.287 1.659 ( 8.501 -0.000 -0.885) 8.547 1.785 ( -0.075 0.000 9.263) 9.264 1.843 ( 2.921 -0.000 0.149) 2.925 1.894 ( 6.308 -0.000 -2.973) 6.974 2.020 ( 5.086 -0.000 -0.081) 5.086 2.035 ( 1.153 -0.000 -0.653) 1.324 2.224 ( -6.255 0.000 3.754) 7.295 2.292 ( -3.132 0.000 -2.269) 3.867 2.386 ( -0.507 0.000 -7.723) 7.740 2.410 ( -3.448 0.000 2.434) 4.221 2.579 ( -0.334 0.000 -7.290) 7.298 2.608 ( -4.764 0.000 -1.175) 4.907 2.753 ( -0.069 0.000 -4.676) 4.677 2.805 ( -0.760 0.000 4.838) 4.897 2.829 ( 1.410 -0.000 -1.462) 2.031 2.886 ( -4.972 0.000 2.372) 5.509 2.981 ( -2.444 0.000 -2.133) 3.244 3.051 ( 0.628 -0.000 0.060) 0.631 3.100 ( 0.806 -0.000 3.656) 3.744 3.209 ( 3.487 -0.000 -1.141) 3.669 3.336 ( 4.179 -0.000 2.006) 4.636 3.361 ( -3.144 0.000 4.045) 5.123 3.472 ( 2.616 -0.000 -0.454) 2.655 3.584 ( 6.728 -0.000 7.617) 10.162 3.855 ( -2.386 0.000 -2.954) 3.797 4.066 ( 3.026 -0.000 4.519) 5.439 4.097 ( 0.353 -0.000 2.060) 2.090 4.385 ( 3.370 -0.000 0.563) 3.417 4.480 ( -5.199 0.000 -3.187) 6.098 4.512 ( -1.814 0.000 -1.331) 2.249 4.729 ( 3.202 -0.000 -0.884) 3.322 4.915 ( 2.873 -0.000 0.055) 2.873 4.977 ( 1.184 -0.000 -2.958) 3.187 5.010 ( -0.862 0.000 1.841) 2.033 5.112 ( -0.403 0.000 2.229) 2.265 5.277 ( 6.941 -0.000 -9.503) 11.768 5.676 ( -5.187 0.000 0.161) 5.189 5.931 ( -5.803 0.000 -10.438) 11.943 6.103 ( -12.231 0.000 10.502) 16.121 6.310 ( 3.253 -0.000 1.799) 3.717 6.310 ( 2.582 -0.000 -0.059) 2.582 7.311 ( -7.741 0.000 -2.330) 8.084 9.913 ( 4.403 -0.000 -1.163) 4.554 9.938 ( 1.950 -0.000 4.043) 4.489 10.245 ( -1.640 0.000 1.918) 2.523 10.644 ( -1.620 0.000 -2.048) 2.611 13.319 ( -0.458 0.000 1.693) 1.754 13.532 ( -0.022 0.000 2.763) 2.763 13.728 ( 1.431 -0.000 -3.383) 3.673 13.856 ( -3.312 0.000 0.087) 3.313 13.975 ( -4.997 0.000 -0.499) 5.022 14.074 ( 5.051 -0.000 1.724) 5.337 14.239 ( -2.819 0.000 11.499) 11.840 14.629 ( -4.731 0.000 -6.056) 7.685 16.316 ( -0.323 0.000 0.001) 0.323 16.584 ( 0.389 -0.000 -2.012) 2.049 22.578 ( 0.303 -0.000 -0.078) 0.313 22.599 ( 0.627 -0.000 0.056) 0.629 24.200 ( 0.745 -0.000 -0.137) 0.758 24.362 ( 7.748 -0.000 0.177) 7.750 24.588 ( 0.892 -0.000 -2.907) 3.041 25.014 ( 8.882 -0.000 5.281) 10.333 25.573 ( -10.069 0.000 -2.303) 10.329 26.013 ( -5.824 0.000 -0.077) 5.824 110.426 ( 0.448 -0.000 0.000) 0.448 110.428 ( 0.024 -0.000 0.000) 0.024 ======================= Grid point 11 (7/78) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 10.853 -3.091 4.609) 12.190 1.001 ( 14.971 -1.373 2.112) 15.181 1.241 ( 6.272 -1.804 -10.382) 12.263 1.416 ( 4.961 0.073 0.523) 4.989 1.564 ( 0.730 1.950 -3.011) 3.661 1.754 ( 5.070 -0.512 -3.563) 6.218 1.838 ( -0.825 -2.962 7.947) 8.521 1.910 ( 4.132 2.287 -1.187) 4.870 1.948 ( 10.999 1.440 5.655) 12.451 2.004 ( 4.286 1.213 -4.137) 6.079 2.044 ( 11.775 0.301 6.465) 13.436 2.105 ( -0.114 0.379 0.763) 0.859 2.174 ( 1.695 -4.101 0.566) 4.474 2.243 ( -2.357 -2.537 -0.176) 3.468 2.327 ( -2.923 -0.575 -3.196) 4.369 2.348 ( -3.248 1.700 3.389) 4.992 2.501 ( -5.091 0.643 -3.131) 6.011 2.593 ( 2.621 -1.837 -4.272) 5.338 2.724 ( -7.424 0.280 0.011) 7.429 2.748 ( -0.216 -2.320 -2.037) 3.095 2.858 ( 2.286 -1.550 -1.841) 3.320 2.890 ( -0.317 0.409 6.240) 6.261 2.961 ( -0.207 -1.629 1.187) 2.026 3.064 ( 1.676 1.522 0.092) 2.266 3.152 ( 3.554 -0.040 2.698) 4.462 3.234 ( 0.191 1.232 -1.040) 1.623 3.296 ( -3.851 -0.833 2.256) 4.540 3.402 ( 2.039 1.203 0.782) 2.493 3.512 ( 3.055 1.864 -0.531) 3.618 3.688 ( 1.943 -0.023 1.415) 2.404 3.819 ( -1.588 -1.564 -2.400) 3.275 4.130 ( 0.795 -2.939 3.423) 4.581 4.139 ( 1.827 -0.408 1.601) 2.463 4.361 ( -4.382 1.401 -3.012) 5.499 4.425 ( 2.139 1.496 -2.578) 3.669 4.492 ( -1.782 -1.829 0.752) 2.662 4.761 ( 1.225 0.217 -0.886) 1.528 4.929 ( -0.788 0.302 -1.004) 1.312 4.992 ( -0.827 0.628 2.202) 2.435 5.020 ( 1.001 -1.043 0.480) 1.523 5.140 ( 2.463 -2.021 2.036) 3.781 5.327 ( 3.936 0.310 -6.805) 7.867 5.600 ( -3.837 -0.383 0.120) 3.858 5.789 ( -3.050 1.662 -9.811) 10.407 5.925 ( -11.497 3.425 12.872) 17.595 6.332 ( 1.787 1.332 -0.106) 2.231 6.411 ( 1.138 -5.869 0.467) 5.996 7.121 ( -6.144 7.011 -2.964) 9.782 9.970 ( -0.203 -0.145 4.842) 4.848 9.976 ( 3.910 1.553 -2.550) 4.920 10.246 ( -1.343 -2.234 2.977) 3.957 10.593 ( -2.448 0.297 -3.281) 4.104 13.316 ( -0.863 0.044 1.699) 1.906 13.540 ( 0.593 0.953 0.154) 1.132 13.747 ( 3.276 -0.127 -2.298) 4.004 13.815 ( -1.549 -0.053 0.089) 1.553 13.897 ( -5.306 -1.821 -0.970) 5.693 14.155 ( 3.730 3.353 3.124) 5.909 14.246 ( -0.157 -0.718 6.656) 6.696 14.511 ( -4.665 0.829 -6.304) 7.886 16.280 ( -2.976 1.291 -0.028) 3.244 16.547 ( -1.865 2.315 -0.553) 3.024 22.582 ( 0.211 0.054 -0.062) 0.227 22.607 ( 0.401 0.229 -0.009) 0.462 24.233 ( 0.356 -3.340 -0.296) 3.372 24.517 ( 9.674 0.511 0.116) 9.688 24.594 ( 0.716 -0.211 -0.742) 1.053 25.193 ( 6.398 -2.628 7.123) 9.928 25.384 ( -8.296 1.695 -3.254) 9.071 25.863 ( -7.542 3.671 -2.880) 8.868 110.428 ( 0.127 0.088 -0.001) 0.154 110.436 ( 0.439 -0.244 0.000) 0.503 ======================= Grid point 12 (8/78) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 6.124 -2.050 3.345) 7.273 1.225 ( 7.672 0.478 -5.326) 9.351 1.264 ( 2.244 -0.850 -1.330) 2.743 1.472 ( 2.248 1.137 0.206) 2.528 1.554 ( 2.246 3.132 -2.641) 4.673 1.749 ( -1.896 5.897 2.674) 6.747 1.876 ( -3.387 -2.519 4.634) 6.268 1.953 ( 6.238 -0.927 -6.104) 8.776 1.987 ( 2.249 3.148 -0.494) 3.901 2.035 ( 1.719 -0.595 -2.743) 3.291 2.087 ( -4.684 -1.799 1.515) 5.241 2.129 ( -0.733 -0.834 3.521) 3.692 2.211 ( -4.662 -1.250 -0.938) 4.917 2.283 ( -2.031 2.403 -1.947) 3.700 2.345 ( 5.120 -0.418 3.835) 6.411 2.364 ( -0.092 -4.985 0.704) 5.035 2.480 ( 2.613 -4.164 -2.658) 5.588 2.607 ( -3.735 1.065 -1.150) 4.051 2.624 ( 0.984 1.673 2.459) 3.132 2.778 ( 3.495 0.675 -3.540) 5.021 2.900 ( 0.964 -1.410 3.831) 4.195 2.945 ( 0.407 -2.055 1.955) 2.865 2.976 ( 0.506 -1.345 3.094) 3.411 3.068 ( 1.243 1.672 -0.687) 2.194 3.179 ( -2.128 2.264 -0.113) 3.109 3.242 ( 4.766 -0.506 0.506) 4.819 3.334 ( 1.913 -3.929 1.946) 4.784 3.373 ( -2.327 2.025 -0.992) 3.240 3.536 ( 3.753 2.528 -0.274) 4.533 3.645 ( -3.215 3.223 -2.273) 5.089 3.829 ( 0.348 -2.281 0.080) 2.309 4.130 ( -0.761 0.757 -2.592) 2.806 4.218 ( 2.141 -3.263 3.308) 5.116 4.286 ( -3.140 0.632 0.372) 3.225 4.409 ( 0.603 1.987 -3.396) 3.981 4.501 ( -0.258 -1.876 2.203) 2.905 4.763 ( 0.011 0.171 -0.867) 0.884 4.895 ( -2.309 -0.408 -0.697) 2.446 4.964 ( -3.757 -0.855 3.467) 5.183 5.045 ( 0.349 -1.034 0.949) 1.446 5.224 ( 1.072 -2.119 0.287) 2.392 5.337 ( 0.400 -0.620 -4.996) 5.050 5.576 ( 1.714 -0.344 -0.310) 1.775 5.702 ( 0.088 2.779 -5.028) 5.745 5.815 ( -5.204 0.287 10.241) 11.490 6.310 ( -1.951 1.693 -1.480) 2.977 6.476 ( -0.471 -5.446 -0.949) 5.548 6.961 ( -1.747 6.788 -1.125) 7.099 9.954 ( -2.219 1.117 2.212) 3.326 10.008 ( 2.054 0.886 -1.297) 2.585 10.274 ( -0.491 -2.285 2.807) 3.652 10.533 ( -2.872 -1.116 -3.371) 4.567 13.307 ( -1.155 -0.313 0.967) 1.539 13.536 ( 1.170 1.558 -0.879) 2.137 13.790 ( -1.519 -0.773 -3.736) 4.106 13.823 ( 1.777 -0.422 0.295) 1.850 13.841 ( 0.785 -1.089 1.906) 2.331 14.143 ( -1.059 4.259 5.426) 6.979 14.332 ( 4.813 -1.623 1.051) 5.187 14.395 ( -4.630 0.871 -4.453) 6.482 16.197 ( -5.733 -0.413 -0.039) 5.748 16.475 ( -3.866 0.912 -0.074) 3.973 22.582 ( -0.079 0.021 -0.098) 0.128 22.607 ( 0.028 0.337 0.036) 0.340 24.272 ( -0.447 -3.353 -0.271) 3.393 24.597 ( 0.698 0.436 0.534) 0.981 24.660 ( 8.786 4.078 0.218) 9.689 25.245 ( -4.373 0.146 -0.604) 4.417 25.359 ( 3.392 -5.593 4.060) 7.699 25.663 ( -8.603 3.764 -3.982) 10.200 110.429 ( 0.105 0.070 -0.000) 0.126 110.446 ( 0.367 -0.081 0.000) 0.376 ======================= Grid point 13 (9/78) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -5.366 2.122 -2.588) 6.324 1.194 ( 1.904 4.212 0.609) 4.663 1.375 ( 5.587 2.287 0.720) 6.079 1.460 ( -1.484 2.055 0.805) 2.659 1.508 ( -2.553 2.698 -1.777) 4.118 1.673 ( -1.064 2.271 2.728) 3.705 1.823 ( -6.164 0.097 -0.658) 6.200 1.920 ( -5.264 0.384 -4.564) 6.978 1.992 ( 0.317 3.987 4.229) 5.821 2.014 ( -5.532 -0.356 0.940) 5.623 2.122 ( 3.286 -4.069 0.308) 5.240 2.128 ( -3.920 1.000 -2.114) 4.565 2.147 ( 1.918 -4.057 -3.348) 5.599 2.268 ( -1.799 0.641 1.777) 2.609 2.368 ( -1.071 -1.670 -4.378) 4.807 2.414 ( 2.568 1.963 1.374) 3.512 2.481 ( -1.862 0.148 -0.878) 2.064 2.590 ( 1.140 -0.818 0.329) 1.441 2.657 ( 3.342 -0.836 -0.480) 3.478 2.791 ( 1.884 1.123 -1.880) 2.889 2.916 ( -1.419 0.746 3.061) 3.455 2.977 ( 1.354 -2.294 0.044) 2.665 3.036 ( 0.681 1.037 1.123) 1.673 3.089 ( 3.120 0.306 0.605) 3.193 3.125 ( -1.131 1.871 0.228) 2.199 3.232 ( -4.162 3.767 -0.661) 5.652 3.320 ( -3.348 -2.385 -2.579) 4.853 3.399 ( 3.267 0.373 0.761) 3.375 3.510 ( -1.964 5.336 1.119) 5.795 3.665 ( 6.001 -2.072 2.446) 6.804 3.848 ( -0.519 -0.894 -0.857) 1.342 4.124 ( 1.166 -0.635 -1.989) 2.391 4.230 ( -2.629 -0.313 0.907) 2.798 4.294 ( 1.951 -1.609 2.444) 3.517 4.371 ( -0.811 1.311 -2.411) 2.862 4.558 ( 2.889 -0.866 4.167) 5.144 4.751 ( -1.166 -0.249 -0.288) 1.226 4.865 ( -2.785 -2.164 0.250) 3.536 4.932 ( -3.308 -1.734 2.727) 4.624 5.060 ( -0.747 -0.625 1.393) 1.700 5.210 ( -4.040 -2.048 -1.754) 4.857 5.281 ( -5.165 0.288 -0.335) 5.184 5.652 ( 2.740 0.477 1.142) 3.007 5.696 ( 6.206 1.666 -2.536) 6.909 5.826 ( 2.053 -2.200 1.143) 3.219 6.262 ( -1.076 -1.253 -1.822) 2.459 6.529 ( 0.622 -4.309 -0.242) 4.361 6.874 ( -1.034 4.561 -0.355) 4.690 9.903 ( -3.843 0.102 1.886) 4.283 10.010 ( 0.635 1.279 -1.988) 2.448 10.298 ( -0.404 -1.350 -0.033) 1.409 10.504 ( -2.158 -3.630 -0.777) 4.294 13.296 ( -1.228 -0.837 0.019) 1.486 13.538 ( 1.422 1.189 -0.993) 2.103 13.724 ( -2.895 0.229 -3.206) 4.325 13.841 ( 2.291 1.225 2.130) 3.360 13.956 ( 6.075 -2.050 0.258) 6.417 14.097 ( -2.169 3.004 5.139) 6.335 14.278 ( -4.643 1.246 -4.138) 6.343 14.447 ( 5.162 -1.814 0.932) 5.550 16.112 ( -7.138 -4.445 -0.036) 8.409 16.408 ( -4.711 -2.125 0.021) 5.168 22.578 ( -0.389 -0.064 -0.150) 0.422 22.601 ( -0.369 0.237 0.106) 0.451 24.287 ( -1.409 -1.978 -0.122) 2.432 24.603 ( 0.006 0.227 1.481) 1.498 24.722 ( 6.973 8.498 1.026) 11.040 25.223 ( 0.114 -2.915 -2.627) 3.926 25.396 ( -7.818 1.744 -0.412) 8.021 25.547 ( -0.155 -6.318 0.486) 6.339 110.430 ( 0.043 0.137 0.000) 0.143 110.450 ( 0.204 0.197 0.002) 0.284 ======================= Grid point 14 (10/78) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( -9.179 7.384 -0.729) 11.803 1.077 ( -4.683 12.845 -1.897) 13.803 1.388 ( -0.355 4.653 4.967) 6.816 1.396 ( -6.623 -0.702 -0.397) 6.672 1.437 ( 0.504 2.174 -2.263) 3.178 1.661 ( -3.352 -1.350 -0.482) 3.646 1.711 ( -3.874 -0.604 1.691) 4.270 1.805 ( -6.204 0.489 -6.397) 8.925 1.851 ( -11.137 3.949 -2.468) 12.072 1.961 ( 0.706 4.778 1.491) 5.055 2.040 ( -2.938 -0.795 1.084) 3.231 2.105 ( -3.767 6.346 0.774) 7.421 2.235 ( -0.295 -1.766 3.426) 3.866 2.287 ( 7.178 -3.646 -4.597) 9.271 2.319 ( -1.732 0.051 -4.654) 4.966 2.412 ( -0.138 2.925 3.070) 4.243 2.521 ( 4.406 -1.774 -0.045) 4.750 2.618 ( 1.367 0.183 -0.471) 1.457 2.741 ( 2.450 -4.577 -3.388) 6.199 2.828 ( 2.352 -2.438 -0.599) 3.440 2.913 ( 1.151 0.240 2.679) 2.925 2.991 ( -1.785 1.499 -0.158) 2.336 3.026 ( 0.289 2.361 3.971) 4.628 3.076 ( -0.787 1.929 -0.935) 2.284 3.099 ( -0.443 4.148 0.673) 4.225 3.154 ( -0.943 -0.330 2.451) 2.646 3.273 ( -2.038 -1.951 -3.205) 4.270 3.408 ( -3.960 3.071 2.033) 5.408 3.466 ( 2.749 0.606 -0.062) 2.816 3.702 ( -3.387 2.753 -3.230) 5.431 3.876 ( 2.789 -2.039 1.814) 3.903 4.117 ( -0.343 0.911 -3.435) 3.571 4.227 ( 1.385 0.434 0.316) 1.486 4.335 ( -0.838 -0.420 -1.463) 1.737 4.371 ( 2.490 -1.924 2.887) 4.270 4.635 ( 3.126 1.074 4.140) 5.297 4.718 ( -3.609 -0.376 0.788) 3.713 4.856 ( -2.654 -3.853 0.295) 4.688 4.927 ( -1.506 -2.106 2.614) 3.679 5.034 ( -2.547 0.763 -1.410) 3.010 5.141 ( -4.542 -2.322 -2.935) 5.885 5.210 ( -3.449 0.265 6.754) 7.588 5.662 ( 0.536 -0.096 -0.863) 1.020 5.817 ( 6.823 -2.029 4.495) 8.419 5.948 ( 8.576 -2.953 -6.048) 10.901 6.270 ( 0.173 -1.451 -1.727) 2.263 6.564 ( -0.733 0.879 -1.638) 1.998 6.838 ( -0.653 -3.196 0.879) 3.378 9.848 ( -4.353 -1.145 1.728) 4.821 9.981 ( -0.482 1.923 -2.464) 3.163 10.285 ( -2.034 -1.856 -3.567) 4.506 10.539 ( 0.021 -4.515 2.132) 4.993 13.287 ( -1.013 -1.315 -0.516) 1.739 13.538 ( 0.267 0.358 -2.331) 2.373 13.684 ( 0.708 1.304 0.237) 1.503 13.887 ( 3.718 1.388 1.541) 4.257 14.022 ( -1.637 -0.200 -1.583) 2.286 14.101 ( 4.459 1.257 4.381) 6.376 14.168 ( -4.689 0.759 -3.444) 5.867 14.558 ( 4.638 -2.153 1.062) 5.222 16.071 ( -6.515 -8.717 0.056) 10.882 16.372 ( -4.351 -4.850 0.126) 6.517 22.570 ( -0.497 -0.197 -0.128) 0.550 22.591 ( -0.640 0.007 0.105) 0.649 24.270 ( -1.950 -0.205 -0.006) 1.960 24.605 ( -0.102 0.691 1.429) 1.591 24.735 ( 7.349 10.450 3.557) 13.261 25.136 ( -9.087 2.485 -6.626) 11.517 25.347 ( 1.324 -5.261 2.325) 5.902 25.646 ( -0.743 -9.028 -1.048) 9.119 110.428 ( -0.048 0.218 0.001) 0.224 110.448 ( 0.078 0.461 0.005) 0.467 ======================= Grid point 15 (11/78) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( -8.600 12.787 -1.846) 15.520 0.743 ( -13.665 13.722 -3.260) 19.638 1.213 ( -4.964 17.017 -7.124) 19.104 1.311 ( -2.751 9.596 3.886) 10.712 1.417 ( -0.377 1.389 2.215) 2.642 1.518 ( -8.827 3.981 -2.376) 9.971 1.628 ( -1.679 -1.492 4.127) 4.699 1.713 ( -2.637 -2.378 -1.544) 3.872 1.754 ( -2.438 -3.790 -2.002) 4.931 1.900 ( -2.303 5.179 1.652) 5.903 1.947 ( -2.086 4.826 1.275) 5.410 2.120 ( 3.000 -5.020 -2.059) 6.200 2.212 ( -0.634 4.567 -1.289) 4.787 2.299 ( -1.079 -2.050 -0.543) 2.379 2.394 ( 2.486 -2.605 -1.944) 4.092 2.411 ( 1.319 0.714 2.688) 3.078 2.622 ( 3.158 -2.943 1.245) 4.493 2.640 ( 1.498 -0.597 -0.007) 1.613 2.750 ( -2.454 -1.225 -3.344) 4.324 2.910 ( 2.446 -3.773 -4.000) 6.019 2.931 ( -2.253 0.940 1.268) 2.751 2.977 ( 0.820 1.650 4.922) 5.256 2.996 ( 1.840 4.013 5.639) 7.161 3.054 ( 0.377 -0.486 -2.310) 2.391 3.086 ( 2.785 3.076 4.345) 6.008 3.199 ( 2.053 -1.446 2.957) 3.879 3.243 ( -1.857 -1.037 -3.976) 4.509 3.319 ( -4.425 0.524 1.787) 4.801 3.480 ( 0.136 2.554 -3.802) 4.582 3.529 ( -6.198 4.161 -5.312) 9.162 3.944 ( 1.508 -1.309 1.316) 2.391 4.075 ( -0.403 2.786 -0.824) 2.933 4.273 ( 6.494 1.387 -1.650) 6.842 4.325 ( -0.720 -0.888 -0.374) 1.203 4.451 ( 2.631 -1.406 1.255) 3.236 4.648 ( -2.729 0.223 -0.778) 2.846 4.672 ( -1.534 -0.339 3.209) 3.573 4.856 ( -1.737 -2.297 0.628) 2.947 4.941 ( -1.906 -2.529 0.120) 3.169 4.980 ( -1.421 -1.065 -0.809) 1.951 5.103 ( -2.834 -2.561 -0.612) 3.868 5.233 ( 2.150 2.233 12.308) 12.693 5.662 ( -1.190 -1.674 -3.773) 4.296 6.009 ( 4.340 -6.632 9.658) 12.494 6.078 ( 6.853 -2.913 -9.680) 12.213 6.276 ( 1.701 1.258 -1.258) 2.461 6.455 ( -4.112 6.023 -3.049) 7.904 6.911 ( -2.143 -8.726 -0.090) 8.986 9.806 ( -3.126 -1.593 1.104) 3.678 9.931 ( -0.902 2.422 -2.008) 3.273 10.249 ( -3.117 -3.104 -3.750) 5.780 10.609 ( 0.972 -3.589 1.756) 4.112 13.289 ( -0.561 -1.558 -0.345) 1.691 13.516 ( -0.681 0.080 -3.020) 3.097 13.729 ( 5.344 1.251 2.704) 6.118 13.940 ( 2.807 1.037 1.582) 3.384 13.970 ( -3.115 -0.299 -1.958) 3.691 14.065 ( -4.839 0.293 -3.326) 5.879 14.172 ( 3.852 2.435 0.774) 4.622 14.660 ( 3.081 -2.918 1.091) 4.382 16.095 ( -4.294 -10.906 0.185) 11.722 16.370 ( -3.316 -5.444 0.306) 6.382 22.566 ( -0.312 -0.337 -0.033) 0.461 22.582 ( -0.563 -0.181 0.017) 0.591 24.233 ( -1.582 1.177 0.047) 1.972 24.601 ( 1.179 1.809 -0.262) 2.175 24.804 ( 12.634 10.279 9.308) 18.759 24.923 ( -7.701 3.524 -3.212) 9.058 25.431 ( -5.259 -10.622 -4.120) 12.548 25.702 ( -2.107 -6.928 -2.290) 7.595 110.423 ( -0.093 0.248 0.001) 0.265 110.443 ( 0.046 0.574 0.012) 0.576 ======================= Grid point 16 (12/78) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.372 ( 0.000 16.311 0.000) 16.311 0.402 ( 0.000 16.998 0.000) 16.998 0.808 ( 0.000 33.016 0.000) 33.016 1.165 ( 0.000 11.207 0.000) 11.207 1.420 ( 0.000 0.912 0.000) 0.912 1.432 ( -0.000 -1.548 -0.000) 1.548 1.671 ( -0.000 -2.373 -0.000) 2.373 1.678 ( -0.000 -0.577 -0.000) 0.577 1.783 ( -0.000 -3.568 -0.000) 3.568 1.833 ( 0.000 2.053 0.000) 2.053 1.878 ( 0.000 4.428 0.000) 4.428 2.126 ( 0.000 6.560 0.000) 6.560 2.240 ( -0.000 -7.833 -0.000) 7.833 2.307 ( -0.000 -2.713 -0.000) 2.713 2.429 ( 0.000 0.912 0.000) 0.912 2.435 ( -0.000 -2.029 -0.000) 2.029 2.660 ( 0.000 0.038 0.000) 0.038 2.697 ( -0.000 -3.798 -0.000) 3.798 2.711 ( 0.000 0.316 0.000) 0.316 2.904 ( 0.000 3.209 0.000) 3.209 2.924 ( -0.000 -1.200 -0.000) 1.200 2.961 ( 0.000 3.257 0.000) 3.257 3.043 ( -0.000 -1.890 -0.000) 1.890 3.053 ( 0.000 0.238 0.000) 0.238 3.141 ( 0.000 0.668 0.000) 0.668 3.208 ( -0.000 -2.567 -0.000) 2.567 3.256 ( 0.000 4.066 0.000) 4.066 3.270 ( -0.000 -0.362 -0.000) 0.362 3.335 ( 0.000 2.437 0.000) 2.437 3.488 ( 0.000 0.899 0.000) 0.899 3.970 ( -0.000 -0.721 -0.000) 0.721 4.038 ( 0.000 2.751 0.000) 2.751 4.325 ( -0.000 -0.335 -0.000) 0.335 4.383 ( -0.000 -3.048 -0.000) 3.048 4.469 ( 0.000 1.518 0.000) 1.518 4.650 ( -0.000 -0.875 -0.000) 0.875 4.654 ( -0.000 -1.752 -0.000) 1.752 4.859 ( 0.000 0.456 0.000) 0.456 4.949 ( -0.000 -5.580 -0.000) 5.580 4.989 ( -0.000 -0.431 -0.000) 0.431 5.097 ( -0.000 -1.590 -0.000) 1.590 5.320 ( 0.000 0.687 0.000) 0.687 5.609 ( 0.000 0.161 0.000) 0.161 6.137 ( -0.000 -1.712 -0.000) 1.712 6.156 ( -0.000 -7.189 -0.000) 7.189 6.297 ( 0.000 1.594 0.000) 1.594 6.315 ( 0.000 5.513 0.000) 5.513 6.921 ( -0.000 -2.912 -0.000) 2.912 9.798 ( -0.000 -1.406 -0.000) 1.406 9.888 ( 0.000 2.131 0.000) 2.131 10.238 ( -0.000 -2.760 -0.000) 2.760 10.658 ( -0.000 -2.240 -0.000) 2.240 13.300 ( -0.000 -1.301 -0.000) 1.301 13.496 ( 0.000 0.325 0.000) 0.325 13.861 ( 0.000 1.164 0.000) 1.164 13.877 ( -0.000 -3.559 -0.000) 3.559 13.971 ( 0.000 1.484 0.000) 1.484 13.978 ( 0.000 1.009 0.000) 1.009 14.169 ( 0.000 4.383 0.000) 4.383 14.726 ( -0.000 -2.899 -0.000) 2.899 16.175 ( -0.000 -9.503 -0.000) 9.503 16.384 ( -0.000 -2.883 -0.000) 2.883 22.568 ( -0.000 -0.361 -0.000) 0.361 22.579 ( -0.000 -0.220 -0.000) 0.220 24.201 ( 0.000 1.520 0.000) 1.520 24.598 ( 0.000 1.429 0.000) 1.429 24.803 ( 0.000 2.776 0.000) 2.776 25.040 ( 0.000 1.355 0.000) 1.355 25.281 ( -0.000 -2.980 -0.000) 2.980 25.746 ( -0.000 -4.381 -0.000) 4.381 110.420 ( 0.000 0.178 0.000) 0.178 110.437 ( 0.000 0.484 0.000) 0.484 ======================= Grid point 19 (13/78) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 8.456 -0.000 3.028) 8.982 1.236 ( 11.990 -0.000 1.902) 12.140 1.243 ( 0.794 -0.000 -10.633) 10.663 1.499 ( 3.649 -0.000 -0.150) 3.652 1.603 ( 3.988 -0.000 -3.673) 5.421 1.814 ( 3.506 -0.000 1.097) 3.674 1.815 ( -3.900 0.000 8.178) 9.060 1.966 ( 3.365 -0.000 -5.577) 6.513 2.025 ( -3.713 0.000 -2.940) 4.736 2.050 ( -1.294 0.000 -0.382) 1.350 2.081 ( -3.302 0.000 3.099) 4.528 2.140 ( 3.734 -0.000 5.498) 6.646 2.164 ( -1.448 0.000 -1.987) 2.459 2.256 ( -2.799 0.000 -0.103) 2.801 2.343 ( 5.858 -0.000 2.409) 6.334 2.364 ( -7.148 0.000 -5.787) 9.197 2.385 ( 5.621 -0.000 0.512) 5.644 2.625 ( -4.203 0.000 -0.425) 4.224 2.642 ( 4.574 -0.000 -0.269) 4.582 2.769 ( 4.022 -0.000 0.862) 4.113 2.885 ( 3.011 -0.000 -1.633) 3.425 2.930 ( -0.331 0.000 6.022) 6.031 2.955 ( 1.133 -0.000 3.620) 3.793 3.096 ( 0.368 -0.000 -0.094) 0.380 3.227 ( 1.238 -0.000 0.520) 1.342 3.229 ( -1.031 0.000 0.654) 1.221 3.258 ( 3.650 -0.000 2.644) 4.507 3.407 ( -3.006 0.000 -1.600) 3.406 3.570 ( 2.653 -0.000 -0.017) 2.653 3.703 ( -0.169 0.000 -3.689) 3.693 3.790 ( -0.058 0.000 -0.553) 0.556 4.143 ( -0.250 0.000 -2.594) 2.606 4.164 ( 3.083 -0.000 4.430) 5.397 4.295 ( -3.628 0.000 0.131) 3.630 4.430 ( 0.289 -0.000 -3.587) 3.599 4.477 ( -0.727 0.000 2.506) 2.609 4.767 ( 0.068 -0.000 -1.587) 1.588 4.887 ( -3.369 0.000 -1.377) 3.639 4.950 ( -5.237 0.000 6.243) 8.149 5.025 ( -0.989 0.000 1.635) 1.911 5.205 ( 4.893 -0.000 -1.871) 5.239 5.326 ( -0.623 0.000 -5.829) 5.862 5.575 ( 1.912 -0.000 0.174) 1.920 5.722 ( -1.069 0.000 -6.387) 6.476 5.839 ( -7.913 0.000 13.029) 15.243 6.344 ( -3.456 0.000 -2.456) 4.239 6.390 ( 2.495 -0.000 0.372) 2.522 7.053 ( -3.793 0.000 -2.774) 4.699 9.967 ( -2.738 0.000 3.901) 4.766 10.026 ( 2.432 -0.000 -2.536) 3.514 10.237 ( -0.346 0.000 4.097) 4.111 10.517 ( -4.075 0.000 -4.735) 6.247 13.303 ( -1.607 0.000 1.360) 2.106 13.561 ( 1.066 -0.000 -1.195) 1.601 13.788 ( 4.053 -0.000 -2.599) 4.815 13.793 ( -0.762 0.000 -3.338) 3.424 13.836 ( -0.980 0.000 3.761) 3.886 14.223 ( -4.211 0.000 8.943) 9.884 14.289 ( 6.217 -0.000 1.295) 6.351 14.409 ( -3.938 0.000 -7.512) 8.482 16.191 ( -7.917 0.000 -0.044) 7.917 16.489 ( -5.794 0.000 -0.145) 5.796 22.582 ( -0.109 0.000 -0.143) 0.180 22.612 ( 0.023 -0.000 0.050) 0.055 24.227 ( 0.953 -0.000 -0.216) 0.977 24.599 ( 0.244 -0.000 0.372) 0.445 24.723 ( 12.724 -0.000 0.382) 12.730 25.242 ( -6.198 0.000 3.193) 6.972 25.287 ( 1.703 -0.000 0.497) 1.774 25.709 ( -10.102 0.000 -4.282) 10.972 110.431 ( 0.122 -0.000 0.000) 0.122 110.444 ( 0.547 -0.000 0.000) 0.547 ======================= Grid point 20 (14/78) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( -1.764 -0.286 -8.897) 9.075 1.236 ( 5.010 0.393 2.613) 5.664 1.406 ( 6.463 0.665 2.590) 6.994 1.520 ( 1.649 2.547 -1.957) 3.611 1.591 ( -2.824 2.702 -3.984) 5.581 1.782 ( -5.339 2.547 4.075) 7.184 1.822 ( -2.494 1.853 6.760) 7.440 1.917 ( -7.739 -1.373 -1.288) 7.965 1.967 ( -6.914 -1.273 0.501) 7.048 2.021 ( 5.715 -0.627 -4.778) 7.475 2.058 ( -0.378 -1.834 1.434) 2.359 2.135 ( 2.820 1.685 -1.788) 3.740 2.192 ( -1.892 3.768 -4.325) 6.040 2.245 ( -1.400 -0.985 1.416) 2.221 2.282 ( 1.033 -3.897 -1.524) 4.310 2.431 ( 4.213 -2.023 -4.076) 6.201 2.439 ( 0.190 -1.266 4.758) 4.928 2.581 ( -0.221 0.211 -0.852) 0.905 2.698 ( 2.143 2.201 2.714) 4.100 2.825 ( 1.176 1.257 -3.272) 3.697 2.906 ( -4.379 -1.290 2.162) 5.051 2.919 ( 1.724 -1.571 2.628) 3.513 3.054 ( 4.962 0.465 0.884) 5.061 3.087 ( -0.029 -0.218 0.298) 0.370 3.195 ( 0.626 3.381 0.940) 3.564 3.256 ( -1.040 -2.045 -0.718) 2.404 3.303 ( -5.201 1.828 -1.845) 5.813 3.387 ( 4.857 -1.596 2.292) 5.603 3.631 ( 5.267 0.138 2.007) 5.638 3.644 ( -1.471 3.769 -2.824) 4.934 3.804 ( -0.103 -2.125 -0.282) 2.146 4.128 ( 1.522 0.774 -4.843) 5.135 4.227 ( -1.646 0.046 2.378) 2.892 4.254 ( 0.171 -1.510 3.881) 4.168 4.396 ( -1.854 0.527 -4.198) 4.619 4.523 ( 3.343 -1.416 5.846) 6.882 4.748 ( -1.202 0.018 -1.457) 1.889 4.819 ( -4.498 -1.464 -0.683) 4.779 4.898 ( -5.219 -0.934 6.493) 8.382 5.020 ( -1.769 -1.445 2.448) 3.348 5.216 ( -1.628 1.803 -3.792) 4.503 5.264 ( -3.741 -1.669 -3.391) 5.318 5.669 ( 6.038 0.756 0.094) 6.085 5.695 ( 2.838 -1.210 -5.649) 6.436 5.805 ( -2.950 0.211 9.917) 10.348 6.253 ( -3.017 0.148 -4.241) 5.207 6.454 ( 3.061 -1.733 1.049) 3.670 6.976 ( -2.657 2.841 -1.278) 4.095 9.917 ( -4.443 0.600 2.352) 5.063 10.037 ( 0.981 0.846 -1.913) 2.310 10.259 ( -0.728 -1.354 1.609) 2.225 10.431 ( -4.077 -1.987 -2.749) 5.304 13.279 ( -1.927 -0.449 0.538) 2.051 13.560 ( 0.113 0.468 -1.653) 1.722 13.763 ( 1.275 2.727 -2.774) 4.093 13.866 ( 2.323 0.693 3.918) 4.607 13.882 ( 4.993 -3.561 -1.232) 6.256 14.173 ( -4.191 2.495 7.799) 9.198 14.304 ( -3.721 0.745 -6.959) 7.926 14.405 ( 5.381 -1.442 0.936) 5.649 16.035 ( -10.933 -1.852 -0.051) 11.088 16.375 ( -7.460 -0.706 -0.035) 7.493 22.577 ( -0.442 -0.013 -0.213) 0.491 22.608 ( -0.445 0.218 0.134) 0.513 24.248 ( 0.630 -1.024 -0.200) 1.219 24.606 ( 0.095 0.026 1.246) 1.249 24.905 ( 11.267 6.144 0.847) 12.862 25.167 ( -3.003 -1.897 -1.556) 3.878 25.325 ( -2.177 -4.495 3.159) 5.910 25.511 ( -9.335 0.790 -3.668) 10.061 110.432 ( 0.144 0.081 -0.000) 0.165 110.453 ( 0.431 0.053 0.001) 0.434 ======================= Grid point 21 (15/78) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -4.906 1.246 -4.690) 6.901 1.316 ( 4.722 4.936 0.864) 6.885 1.378 ( -10.802 2.421 -1.374) 11.155 1.453 ( -2.769 1.848 2.493) 4.159 1.526 ( 2.864 4.135 -0.219) 5.035 1.647 ( -6.474 1.239 0.017) 6.591 1.767 ( -2.741 4.212 0.129) 5.027 1.800 ( -5.889 -0.675 -2.479) 6.425 1.902 ( -3.141 -1.806 -0.001) 3.624 2.017 ( -4.190 1.795 -3.809) 5.941 2.063 ( 1.522 1.805 -0.910) 2.531 2.142 ( 0.129 -2.531 5.671) 6.211 2.234 ( 0.557 1.564 0.789) 1.838 2.255 ( 7.578 -1.883 -5.473) 9.535 2.289 ( -2.351 0.405 -2.226) 3.263 2.463 ( -0.489 0.190 5.943) 5.966 2.517 ( 5.022 0.395 -2.417) 5.587 2.607 ( 2.155 -1.370 0.229) 2.564 2.681 ( -0.890 1.443 0.318) 1.725 2.789 ( -1.158 -1.023 -4.059) 4.343 2.883 ( -1.548 -2.746 3.045) 4.383 2.993 ( 1.572 -1.399 1.077) 2.364 3.026 ( -3.111 0.917 -1.717) 3.670 3.120 ( 0.420 0.746 -1.222) 1.492 3.172 ( -1.855 1.361 0.296) 2.319 3.188 ( -2.103 0.222 -1.885) 2.833 3.258 ( 1.774 3.021 2.789) 4.478 3.462 ( 2.176 0.244 0.571) 2.263 3.539 ( -3.044 5.724 1.294) 6.611 3.733 ( 1.357 -0.103 0.314) 1.397 3.820 ( 0.697 -2.407 -0.190) 2.513 4.129 ( 2.116 0.423 -4.821) 5.282 4.217 ( 0.064 -0.152 3.245) 3.249 4.321 ( 1.983 -1.890 2.200) 3.514 4.337 ( -1.651 -0.635 -2.911) 3.406 4.628 ( 1.706 -1.241 5.611) 5.995 4.711 ( -3.093 -0.094 -0.080) 3.095 4.778 ( -2.517 -2.214 0.516) 3.392 4.873 ( -2.801 -2.665 5.361) 6.610 5.017 ( -2.675 -2.038 2.327) 4.089 5.104 ( -6.091 0.320 -4.566) 7.619 5.226 ( -0.602 0.107 0.254) 0.662 5.665 ( -0.854 -0.041 -1.304) 1.559 5.779 ( 1.044 -0.998 1.310) 1.950 5.874 ( 7.017 -3.098 -1.852) 7.891 6.245 ( 3.807 -0.337 -2.938) 4.820 6.539 ( 3.887 -1.225 1.658) 4.400 6.874 ( -4.623 3.215 -0.291) 5.638 9.841 ( -4.537 0.375 1.474) 4.785 10.024 ( 0.099 1.555 -1.535) 2.188 10.226 ( -4.459 -2.632 -4.740) 7.020 10.434 ( -0.211 -3.951 3.183) 5.078 13.258 ( -1.703 -1.107 -0.136) 2.035 13.543 ( -0.719 0.087 -1.614) 1.769 13.753 ( 3.645 4.228 -0.905) 5.655 13.921 ( 2.933 1.312 4.095) 5.205 13.998 ( 3.582 -2.710 -2.585) 5.183 14.123 ( -1.990 1.438 6.927) 7.349 14.199 ( -3.455 1.322 -5.710) 6.803 14.509 ( 4.246 -1.886 0.459) 4.669 15.894 ( -10.304 -5.887 -0.029) 11.867 16.275 ( -6.494 -3.199 -0.023) 7.239 22.567 ( -0.584 -0.085 -0.201) 0.623 22.595 ( -0.753 0.239 0.149) 0.804 24.262 ( -0.010 -0.390 -0.127) 0.410 24.616 ( 0.399 0.273 1.971) 2.029 24.957 ( 5.615 8.608 2.137) 10.497 25.140 ( -3.457 -1.282 -5.531) 6.647 25.293 ( -5.174 -0.461 2.035) 5.578 25.450 ( -0.697 -7.552 -0.772) 7.623 110.433 ( 0.094 0.211 0.000) 0.231 110.457 ( 0.253 0.256 0.002) 0.360 ======================= Grid point 22 (16/78) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -5.161 6.294 -0.758) 8.175 1.038 ( -12.571 11.322 -3.742) 17.327 1.368 ( 3.153 1.830 -0.507) 3.680 1.436 ( -0.102 1.655 5.064) 5.328 1.497 ( -0.005 4.291 -1.376) 4.506 1.559 ( -3.481 -2.963 -1.920) 4.958 1.676 ( -6.239 2.166 1.534) 6.780 1.702 ( -1.214 2.978 -3.321) 4.623 1.814 ( -1.238 9.345 -1.571) 9.557 1.984 ( -1.414 -4.017 0.446) 4.282 2.039 ( 0.962 5.028 -1.531) 5.343 2.128 ( -3.985 7.727 3.206) 9.266 2.189 ( -2.919 -4.767 2.330) 6.056 2.259 ( 0.611 -1.727 -2.686) 3.251 2.378 ( 5.683 -1.162 -4.444) 7.307 2.464 ( 1.146 4.713 3.721) 6.113 2.574 ( 2.796 -0.154 0.132) 2.804 2.653 ( 1.760 0.832 0.385) 1.984 2.691 ( -0.624 -3.759 -1.107) 3.968 2.789 ( -0.130 -5.334 -2.612) 5.941 2.930 ( 1.496 -2.254 0.616) 2.774 2.948 ( -3.447 -0.272 -0.304) 3.471 2.987 ( -3.213 -2.784 -2.931) 5.164 3.121 ( 0.584 -1.835 -0.791) 2.082 3.158 ( -0.062 4.210 2.351) 4.822 3.167 ( 1.331 0.908 4.450) 4.733 3.267 ( 2.082 3.832 0.712) 4.419 3.393 ( -3.708 5.261 3.122) 7.154 3.517 ( 1.920 0.950 -0.591) 2.222 3.638 ( -5.438 4.586 -4.296) 8.310 3.894 ( 1.743 -2.979 0.825) 3.549 4.128 ( 0.800 1.628 -1.809) 2.562 4.252 ( 1.038 -1.795 1.604) 2.622 4.300 ( -0.639 -1.358 -3.583) 3.885 4.422 ( 4.700 -1.841 2.012) 5.434 4.625 ( -6.123 -1.925 2.177) 6.777 4.656 ( -2.763 -0.332 0.463) 2.821 4.789 ( 0.592 -1.605 1.065) 2.015 4.916 ( 0.354 -1.368 3.161) 3.463 4.966 ( -3.904 -0.177 -2.541) 4.662 5.023 ( -3.685 -3.259 0.475) 4.942 5.263 ( 3.319 -0.213 4.391) 5.508 5.644 ( -0.956 -0.312 -2.845) 3.017 5.834 ( -0.332 -6.942 2.463) 7.374 6.007 ( 5.127 -3.336 -3.729) 7.164 6.320 ( 6.676 2.406 -1.294) 7.213 6.580 ( -0.237 3.934 -1.296) 4.149 6.790 ( -2.614 -2.356 2.089) 4.092 9.782 ( -2.901 -0.369 0.882) 3.054 9.991 ( -0.337 2.501 -1.110) 2.757 10.160 ( -4.413 -4.012 -4.235) 7.315 10.510 ( 0.926 -4.539 2.611) 5.317 13.249 ( -0.952 -1.665 -0.298) 1.941 13.520 ( -0.714 0.267 -1.268) 1.480 13.783 ( 5.292 3.544 1.019) 6.450 13.954 ( -1.632 0.755 3.805) 4.209 14.004 ( 1.610 2.143 -2.439) 3.624 14.094 ( -3.362 1.592 -2.803) 4.658 14.183 ( 2.924 -1.446 1.875) 3.763 14.594 ( 2.466 -2.571 0.293) 3.574 15.844 ( -6.153 -9.907 0.037) 11.662 16.239 ( -3.605 -5.440 0.014) 6.527 22.559 ( -0.401 -0.215 -0.109) 0.468 22.581 ( -0.619 0.108 0.090) 0.635 24.256 ( -0.361 0.735 -0.054) 0.820 24.631 ( 0.900 0.913 1.838) 2.241 24.960 ( -0.306 2.434 -0.012) 2.453 25.023 ( 0.467 6.095 -0.042) 6.113 25.264 ( -3.950 -3.893 -1.067) 5.648 25.540 ( 0.692 -7.115 -0.999) 7.218 110.431 ( 0.016 0.335 0.000) 0.336 110.455 ( 0.102 0.461 0.004) 0.472 ======================= Grid point 23 (17/78) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 0.000 13.881 0.000) 13.881 0.749 ( 0.000 12.994 0.000) 12.994 1.380 ( 0.000 4.322 0.000) 4.322 1.435 ( 0.000 2.775 0.000) 2.775 1.438 ( 0.000 8.428 0.000) 8.428 1.459 ( 0.000 12.114 0.000) 12.114 1.593 ( -0.000 -3.914 -0.000) 3.914 1.683 ( -0.000 -2.049 -0.000) 2.049 1.704 ( 0.000 5.015 0.000) 5.015 1.937 ( 0.000 5.359 0.000) 5.359 2.013 ( 0.000 7.176 0.000) 7.176 2.072 ( -0.000 -5.498 -0.000) 5.498 2.218 ( -0.000 -2.792 -0.000) 2.792 2.272 ( -0.000 -0.699 -0.000) 0.699 2.423 ( 0.000 4.915 0.000) 4.915 2.427 ( -0.000 -1.367 -0.000) 1.367 2.610 ( -0.000 -2.225 -0.000) 2.225 2.664 ( 0.000 0.318 0.000) 0.318 2.706 ( -0.000 -1.326 -0.000) 1.326 2.858 ( -0.000 -5.519 -0.000) 5.519 2.917 ( 0.000 0.124 0.000) 0.124 2.988 ( -0.000 -2.696 -0.000) 2.696 2.988 ( -0.000 -5.111 -0.000) 5.111 3.102 ( 0.000 6.034 0.000) 6.034 3.174 ( -0.000 -3.417 -0.000) 3.417 3.188 ( -0.000 -1.111 -0.000) 1.111 3.219 ( 0.000 5.741 0.000) 5.741 3.339 ( 0.000 3.377 0.000) 3.377 3.477 ( 0.000 7.293 0.000) 7.293 3.520 ( 0.000 1.487 0.000) 1.487 3.938 ( -0.000 -2.122 -0.000) 2.122 4.104 ( 0.000 2.580 0.000) 2.580 4.303 ( -0.000 -1.634 -0.000) 1.634 4.304 ( -0.000 -3.324 -0.000) 3.324 4.515 ( 0.000 2.151 0.000) 2.151 4.572 ( -0.000 -5.293 -0.000) 5.293 4.630 ( -0.000 -0.629 -0.000) 0.629 4.838 ( -0.000 -3.236 -0.000) 3.236 4.877 ( 0.000 1.083 0.000) 1.083 4.975 ( -0.000 -0.658 -0.000) 0.658 5.024 ( -0.000 -4.148 -0.000) 4.148 5.331 ( -0.000 -0.386 -0.000) 0.386 5.615 ( 0.000 0.356 0.000) 0.356 5.942 ( -0.000 -9.995 -0.000) 9.995 6.079 ( -0.000 -3.194 -0.000) 3.194 6.360 ( 0.000 3.552 0.000) 3.552 6.469 ( 0.000 7.077 0.000) 7.077 6.832 ( -0.000 -4.509 -0.000) 4.509 9.767 ( -0.000 -0.995 -0.000) 0.995 9.951 ( 0.000 3.005 0.000) 3.005 10.154 ( -0.000 -4.162 -0.000) 4.162 10.579 ( -0.000 -4.371 -0.000) 4.371 13.262 ( -0.000 -1.869 -0.000) 1.869 13.505 ( 0.000 0.465 0.000) 0.465 13.841 ( 0.000 0.666 0.000) 0.666 13.894 ( 0.000 1.520 0.000) 1.520 14.014 ( 0.000 2.029 0.000) 2.029 14.017 ( 0.000 2.246 0.000) 2.246 14.226 ( 0.000 0.215 0.000) 0.215 14.651 ( -0.000 -3.231 -0.000) 3.231 15.918 ( -0.000 -11.721 -0.000) 11.721 16.276 ( -0.000 -5.887 -0.000) 5.887 22.559 ( -0.000 -0.341 -0.000) 0.341 22.575 ( -0.000 -0.044 -0.000) 0.044 24.238 ( 0.000 1.468 0.000) 1.468 24.634 ( 0.000 1.409 0.000) 1.409 24.879 ( 0.000 3.210 0.000) 3.210 25.081 ( 0.000 2.020 0.000) 2.020 25.206 ( -0.000 -2.581 -0.000) 2.581 25.619 ( -0.000 -6.150 -0.000) 6.150 110.426 ( 0.000 0.365 0.000) 0.365 110.450 ( 0.000 0.564 0.000) 0.564 ======================= Grid point 28 (18/78) ======================= q-point: ( 0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -3.722 0.000 -8.483) 9.263 1.336 ( 1.841 -0.000 1.853) 2.612 1.456 ( -2.184 0.000 1.751) 2.799 1.475 ( -6.616 0.000 -1.568) 6.800 1.584 ( 3.202 -0.000 0.205) 3.208 1.682 ( -8.400 0.000 3.496) 9.098 1.761 ( -6.263 0.000 -4.250) 7.569 1.863 ( -4.148 0.000 3.884) 5.682 1.865 ( -1.365 0.000 1.361) 1.927 2.001 ( -2.415 0.000 -3.297) 4.087 2.054 ( 0.480 -0.000 -5.451) 5.472 2.182 ( -0.431 0.000 0.065) 0.436 2.206 ( 7.985 -0.000 -3.972) 8.918 2.269 ( 0.065 -0.000 -0.223) 0.232 2.279 ( 2.702 -0.000 -1.057) 2.901 2.440 ( 1.510 -0.000 8.751) 8.880 2.520 ( 4.307 -0.000 0.034) 4.307 2.594 ( 1.700 -0.000 -0.363) 1.739 2.748 ( 0.269 -0.000 -0.874) 0.914 2.762 ( -9.352 0.000 1.390) 9.455 2.827 ( 0.764 -0.000 -0.810) 1.114 2.976 ( 2.276 -0.000 0.988) 2.481 3.038 ( -4.259 0.000 -0.906) 4.354 3.137 ( 2.442 -0.000 -3.648) 4.390 3.166 ( -5.738 0.000 -3.089) 6.516 3.186 ( 0.582 -0.000 -0.351) 0.680 3.329 ( 3.293 -0.000 4.090) 5.251 3.457 ( 2.515 -0.000 2.439) 3.503 3.619 ( -3.443 0.000 -0.380) 3.464 3.725 ( 3.915 -0.000 1.970) 4.383 3.785 ( -0.207 0.000 -0.769) 0.796 4.137 ( 3.211 -0.000 -8.064) 8.680 4.236 ( -1.395 0.000 2.631) 2.977 4.273 ( 2.670 -0.000 6.314) 6.855 4.330 ( -2.875 0.000 -4.762) 5.562 4.609 ( 1.280 -0.000 6.374) 6.502 4.715 ( -2.261 0.000 -0.380) 2.293 4.747 ( -0.957 0.000 1.228) 1.556 4.834 ( -5.232 0.000 6.279) 8.173 4.993 ( -1.770 0.000 1.878) 2.581 5.112 ( -7.077 0.000 -4.584) 8.433 5.223 ( 0.319 -0.000 -2.258) 2.280 5.659 ( -0.810 0.000 -2.222) 2.365 5.779 ( -4.738 0.000 5.368) 7.159 5.827 ( 9.113 -0.000 -3.080) 9.619 6.245 ( 5.310 -0.000 -3.356) 6.281 6.525 ( 4.713 -0.000 2.510) 5.340 6.917 ( -5.682 0.000 -0.746) 5.731 9.849 ( -4.768 0.000 1.456) 4.985 10.043 ( 0.244 -0.000 -1.302) 1.324 10.191 ( -5.159 0.000 -5.309) 7.403 10.384 ( -0.090 0.000 3.768) 3.769 13.244 ( -1.949 0.000 0.016) 1.949 13.544 ( -0.838 0.000 -1.306) 1.551 13.834 ( 4.743 -0.000 -2.515) 5.368 13.931 ( 4.724 -0.000 -0.707) 4.777 13.939 ( 2.693 -0.000 5.165) 5.825 14.147 ( -4.152 0.000 6.304) 7.548 14.216 ( -3.159 0.000 -6.875) 7.566 14.484 ( 4.250 -0.000 0.608) 4.293 15.823 ( -11.744 0.000 -0.043) 11.744 16.236 ( -7.562 0.000 -0.057) 7.562 22.566 ( -0.608 0.000 -0.225) 0.649 22.598 ( -0.826 0.000 0.162) 0.842 24.257 ( 0.814 -0.000 -0.171) 0.832 24.619 ( 0.580 -0.000 1.994) 2.076 25.072 ( -5.060 0.000 -2.379) 5.591 25.155 ( 11.111 -0.000 0.488) 11.122 25.245 ( -4.308 0.000 1.274) 4.492 25.360 ( -6.419 0.000 -1.455) 6.582 110.436 ( 0.150 -0.000 0.000) 0.150 110.460 ( 0.330 -0.000 0.001) 0.330 ======================= Grid point 30 (19/78) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -4.153 -0.546 -3.866) 5.700 1.218 ( -8.588 3.604 -1.771) 9.481 1.393 ( -2.359 0.247 -0.870) 2.527 1.483 ( 2.561 2.402 3.202) 4.752 1.547 ( -4.363 2.895 -0.438) 5.254 1.596 ( -0.256 2.472 2.128) 3.272 1.698 ( -2.624 -0.518 -0.892) 2.820 1.786 ( -2.620 2.685 -1.656) 4.101 1.843 ( -0.996 -3.027 -0.853) 3.299 1.991 ( 0.810 1.148 -3.525) 3.795 2.035 ( -0.736 -3.087 -2.978) 4.352 2.164 ( 0.807 2.934 2.580) 3.989 2.260 ( -2.685 1.819 1.248) 3.475 2.271 ( 1.990 3.588 -0.571) 4.142 2.345 ( 4.294 -2.273 -1.957) 5.238 2.527 ( 3.374 -0.251 7.036) 7.807 2.574 ( 0.243 -0.555 1.013) 1.180 2.577 ( -2.282 -2.903 -0.744) 3.767 2.689 ( 0.759 1.158 0.787) 1.593 2.718 ( -1.615 -0.880 -3.940) 4.348 2.875 ( 1.944 -1.690 1.501) 2.981 2.935 ( -4.341 0.153 -2.432) 4.978 2.955 ( -3.937 -1.012 -2.969) 5.034 3.078 ( -3.094 -0.873 -1.788) 3.678 3.178 ( 3.084 0.211 2.531) 3.995 3.226 ( 2.847 1.426 -1.356) 3.461 3.375 ( 2.382 3.880 3.515) 5.751 3.488 ( 0.094 1.173 0.994) 1.540 3.542 ( -2.802 1.794 1.904) 3.833 3.734 ( -1.189 3.686 -1.677) 4.220 3.815 ( 1.592 -3.550 0.099) 3.892 4.152 ( 2.041 0.537 -4.472) 4.945 4.225 ( -0.937 -0.374 3.127) 3.286 4.271 ( -1.620 -0.825 -4.773) 5.107 4.370 ( 3.329 -1.760 3.762) 5.322 4.595 ( -3.377 -0.503 1.469) 3.717 4.660 ( -3.489 0.357 0.679) 3.572 4.784 ( 0.952 0.741 2.797) 3.046 4.837 ( 0.799 -4.132 4.092) 5.870 4.970 ( -2.903 0.309 -0.460) 2.956 4.984 ( -4.272 -0.497 -2.203) 4.832 5.236 ( 1.372 -1.202 0.014) 1.824 5.638 ( -0.631 -0.176 -2.125) 2.223 5.731 ( -3.262 -1.947 2.597) 4.601 5.943 ( 4.961 -1.694 -2.942) 6.012 6.370 ( 10.124 1.450 -1.421) 10.325 6.616 ( 3.905 -0.069 1.795) 4.299 6.785 ( -8.414 0.815 0.145) 8.454 9.784 ( -3.024 0.266 0.683) 3.111 10.034 ( -0.009 1.068 -0.660) 1.255 10.086 ( -4.529 -1.914 -4.329) 6.551 10.426 ( 0.812 -2.146 3.078) 3.839 13.220 ( -1.193 -0.742 -0.179) 1.416 13.526 ( -0.561 0.152 -0.680) 0.894 13.879 ( 5.142 3.796 -1.709) 6.616 13.977 ( -0.754 1.304 4.585) 4.826 14.024 ( 3.171 -1.360 0.279) 3.462 14.121 ( -1.890 0.292 0.694) 2.034 14.138 ( -1.282 -0.941 -2.765) 3.190 14.549 ( 2.278 -1.158 0.252) 2.568 15.676 ( -7.421 -3.943 -0.021) 8.404 16.144 ( -4.486 -2.340 -0.045) 5.060 22.556 ( -0.441 -0.057 -0.135) 0.465 22.585 ( -0.683 0.122 0.105) 0.702 24.266 ( 0.376 0.193 -0.093) 0.432 24.644 ( 1.102 0.252 2.141) 2.421 24.969 ( -4.853 -0.404 -2.701) 5.569 25.157 ( -1.164 3.732 -0.447) 3.935 25.246 ( -0.441 2.705 1.077) 2.944 25.377 ( 2.638 -6.853 -0.192) 7.345 110.437 ( 0.083 0.157 0.000) 0.177 110.463 ( 0.161 0.170 0.001) 0.234 ======================= Grid point 31 (20/78) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 0.000 1.730 0.000) 1.730 1.045 ( 0.000 9.994 0.000) 9.994 1.391 ( -0.000 -2.229 -0.000) 2.229 1.473 ( 0.000 1.984 0.000) 1.984 1.482 ( 0.000 1.718 0.000) 1.718 1.587 ( 0.000 4.451 0.000) 4.451 1.630 ( 0.000 2.352 0.000) 2.352 1.732 ( 0.000 3.298 0.000) 3.298 1.899 ( -0.000 -6.744 -0.000) 6.744 1.930 ( 0.000 8.354 0.000) 8.354 2.067 ( -0.000 -2.736 -0.000) 2.736 2.147 ( 0.000 4.499 0.000) 4.499 2.174 ( 0.000 3.828 0.000) 3.828 2.250 ( 0.000 0.888 0.000) 0.888 2.392 ( -0.000 -1.024 -0.000) 1.024 2.578 ( 0.000 5.812 0.000) 5.812 2.598 ( -0.000 -0.228 -0.000) 0.228 2.615 ( -0.000 -6.434 -0.000) 6.434 2.693 ( -0.000 -3.662 -0.000) 3.662 2.700 ( -0.000 -1.095 -0.000) 1.095 2.890 ( -0.000 -1.525 -0.000) 1.525 2.919 ( -0.000 -0.887 -0.000) 0.887 2.923 ( -0.000 -2.315 -0.000) 2.315 3.075 ( -0.000 -3.502 -0.000) 3.502 3.207 ( 0.000 1.192 0.000) 1.192 3.216 ( 0.000 3.549 0.000) 3.549 3.355 ( 0.000 5.137 0.000) 5.137 3.433 ( 0.000 4.815 0.000) 4.815 3.537 ( -0.000 -0.216 -0.000) 0.216 3.642 ( 0.000 6.707 0.000) 6.707 3.873 ( -0.000 -3.499 -0.000) 3.499 4.147 ( 0.000 1.088 0.000) 1.088 4.245 ( -0.000 -1.560 -0.000) 1.560 4.256 ( -0.000 -2.112 -0.000) 2.112 4.450 ( -0.000 -4.227 -0.000) 4.227 4.555 ( 0.000 1.173 0.000) 1.173 4.625 ( 0.000 0.166 0.000) 0.166 4.802 ( -0.000 -0.270 -0.000) 0.270 4.903 ( 0.000 0.951 0.000) 0.951 4.918 ( -0.000 -4.955 -0.000) 4.955 4.964 ( -0.000 -0.272 -0.000) 0.272 5.285 ( -0.000 -3.169 -0.000) 3.169 5.623 ( 0.000 0.280 0.000) 0.280 5.754 ( -0.000 -5.360 -0.000) 5.360 6.004 ( -0.000 -2.880 -0.000) 2.880 6.452 ( 0.000 4.122 0.000) 4.122 6.611 ( 0.000 4.640 0.000) 4.640 6.725 ( -0.000 -4.464 -0.000) 4.464 9.757 ( 0.000 0.076 0.000) 0.076 10.013 ( 0.000 2.128 0.000) 2.128 10.063 ( -0.000 -3.248 -0.000) 3.248 10.477 ( -0.000 -3.787 -0.000) 3.787 13.222 ( -0.000 -1.405 -0.000) 1.405 13.516 ( 0.000 0.382 0.000) 0.382 13.905 ( 0.000 4.542 0.000) 4.542 13.927 ( 0.000 1.177 0.000) 1.177 14.061 ( 0.000 1.509 0.000) 1.509 14.062 ( 0.000 1.557 0.000) 1.557 14.181 ( -0.000 -3.683 -0.000) 3.683 14.588 ( -0.000 -2.088 -0.000) 2.088 15.681 ( -0.000 -7.860 -0.000) 7.860 16.146 ( -0.000 -4.606 -0.000) 4.606 22.553 ( -0.000 -0.147 -0.000) 0.147 22.577 ( 0.000 0.147 0.000) 0.147 24.263 ( 0.000 0.703 0.000) 0.703 24.658 ( 0.000 0.641 0.000) 0.641 24.918 ( -0.000 -0.014 -0.000) 0.014 25.124 ( 0.000 1.459 0.000) 1.459 25.206 ( 0.000 2.814 0.000) 2.814 25.475 ( -0.000 -6.153 -0.000) 6.153 110.435 ( 0.000 0.303 0.000) 0.303 110.461 ( 0.000 0.351 0.000) 0.351 ======================= Grid point 39 (21/78) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -0.000 -0.000 -0.000) 0.000 1.170 ( -0.000 -0.000 -0.000) 0.000 1.345 ( -0.000 -0.000 -0.000) 0.000 1.507 ( -0.000 -0.000 -0.000) 0.000 1.559 ( -0.000 -0.000 -0.000) 0.000 1.660 ( -0.000 -0.000 -0.000) 0.000 1.685 ( -0.000 -0.000 -0.000) 0.000 1.686 ( 0.000 0.000 0.000) 0.000 1.837 ( -0.000 -0.000 -0.000) 0.000 1.999 ( -0.000 -0.000 -0.000) 0.000 2.003 ( -0.000 -0.000 -0.000) 0.000 2.208 ( -0.000 -0.000 -0.000) 0.000 2.266 ( -0.000 -0.000 -0.000) 0.000 2.324 ( 0.000 0.000 0.000) 0.000 2.348 ( -0.000 -0.000 -0.000) 0.000 2.481 ( -0.000 -0.000 -0.000) 0.000 2.586 ( -0.000 -0.000 -0.000) 0.000 2.593 ( -0.000 -0.000 -0.000) 0.000 2.660 ( -0.000 -0.000 -0.000) 0.000 2.740 ( -0.000 -0.000 -0.000) 0.000 2.888 ( -0.000 -0.000 -0.000) 0.000 2.893 ( -0.000 -0.000 -0.000) 0.000 2.895 ( -0.000 -0.000 -0.000) 0.000 3.033 ( -0.000 -0.000 -0.000) 0.000 3.224 ( -0.000 -0.000 -0.000) 0.000 3.258 ( -0.000 -0.000 -0.000) 0.000 3.429 ( -0.000 -0.000 -0.000) 0.000 3.502 ( -0.000 -0.000 -0.000) 0.000 3.526 ( -0.000 -0.000 -0.000) 0.000 3.773 ( 0.000 0.000 0.000) 0.000 3.781 ( -0.000 -0.000 -0.000) 0.000 4.159 ( -0.000 -0.000 -0.000) 0.000 4.226 ( -0.000 -0.000 -0.000) 0.000 4.231 ( -0.000 -0.000 -0.000) 0.000 4.400 ( -0.000 -0.000 -0.000) 0.000 4.569 ( -0.000 -0.000 -0.000) 0.000 4.629 ( -0.000 -0.000 -0.000) 0.000 4.808 ( -0.000 -0.000 -0.000) 0.000 4.836 ( -0.000 -0.000 -0.000) 0.000 4.915 ( -0.000 -0.000 -0.000) 0.000 4.962 ( -0.000 -0.000 -0.000) 0.000 5.238 ( -0.000 -0.000 -0.000) 0.000 5.626 ( -0.000 -0.000 -0.000) 0.000 5.696 ( -0.000 -0.000 -0.000) 0.000 5.967 ( -0.000 -0.000 -0.000) 0.000 6.517 ( -0.000 -0.000 -0.000) 0.000 6.656 ( -0.000 -0.000 -0.000) 0.000 6.667 ( -0.000 -0.000 -0.000) 0.000 9.760 ( -0.000 -0.000 -0.000) 0.000 10.022 ( -0.000 -0.000 -0.000) 0.000 10.039 ( -0.000 -0.000 -0.000) 0.000 10.430 ( -0.000 -0.000 -0.000) 0.000 13.204 ( -0.000 -0.000 -0.000) 0.000 13.521 ( -0.000 -0.000 -0.000) 0.000 13.941 ( -0.000 -0.000 -0.000) 0.000 14.024 ( 0.000 0.000 0.000) 0.000 14.027 ( -0.000 -0.000 -0.000) 0.000 14.085 ( -0.000 -0.000 -0.000) 0.000 14.121 ( 0.000 0.000 0.000) 0.000 14.562 ( -0.000 -0.000 -0.000) 0.000 15.586 ( -0.000 -0.000 -0.000) 0.000 16.090 ( -0.000 -0.000 -0.000) 0.000 22.552 ( -0.000 -0.000 -0.000) 0.000 22.579 ( -0.000 -0.000 -0.000) 0.000 24.271 ( -0.000 -0.000 -0.000) 0.000 24.665 ( -0.000 -0.000 -0.000) 0.000 24.910 ( -0.000 -0.000 -0.000) 0.000 25.142 ( -0.000 -0.000 -0.000) 0.000 25.281 ( -0.000 -0.000 -0.000) 0.000 25.367 ( -0.000 -0.000 -0.000) 0.000 110.439 ( -0.000 -0.000 -0.000) 0.000 110.465 ( -0.000 -0.000 -0.000) 0.000 ======================= Grid point 69 (22/78) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.293 ( 2.757 -0.000 12.670) 12.966 0.438 ( 1.501 -0.000 20.043) 20.099 0.823 ( 4.818 -0.000 35.729) 36.053 1.003 ( -5.472 0.000 -2.186) 5.893 1.247 ( -0.790 0.000 -12.377) 12.403 1.524 ( -0.817 0.000 -2.717) 2.837 1.532 ( -0.165 0.000 1.005) 1.019 1.710 ( -0.669 0.000 -3.941) 3.998 1.774 ( 4.970 -0.000 -2.626) 5.621 1.837 ( -0.984 0.000 0.724) 1.221 1.963 ( -1.994 0.000 1.536) 2.517 2.067 ( 0.766 -0.000 2.741) 2.846 2.212 ( 0.201 -0.000 -4.191) 4.195 2.308 ( 0.314 -0.000 -5.429) 5.438 2.397 ( -4.473 0.000 -16.347) 16.948 2.459 ( -3.580 0.000 -0.371) 3.599 2.479 ( 0.700 -0.000 -3.498) 3.568 2.719 ( 0.570 -0.000 0.987) 1.140 2.775 ( -2.156 0.000 2.634) 3.404 2.808 ( 3.186 -0.000 5.984) 6.780 2.920 ( -3.649 0.000 5.709) 6.775 2.966 ( 0.690 -0.000 0.791) 1.050 3.044 ( 2.729 -0.000 -2.700) 3.839 3.049 ( 0.695 -0.000 -0.524) 0.870 3.089 ( -2.477 0.000 -2.301) 3.381 3.099 ( -0.224 0.000 -0.883) 0.911 3.293 ( 0.124 -0.000 3.204) 3.207 3.359 ( -0.506 0.000 0.614) 0.795 3.442 ( 1.978 -0.000 -2.581) 3.252 3.529 ( 1.372 -0.000 12.993) 13.065 3.932 ( -3.006 0.000 -2.593) 3.970 4.034 ( 2.737 -0.000 1.775) 3.262 4.340 ( 0.529 -0.000 1.123) 1.241 4.444 ( -2.750 0.000 -0.276) 2.764 4.532 ( -0.796 0.000 -1.868) 2.030 4.580 ( 13.616 -0.000 0.576) 13.628 4.652 ( -2.065 0.000 -1.466) 2.533 4.857 ( 0.105 -0.000 0.080) 0.132 4.948 ( -0.777 0.000 -2.560) 2.675 4.980 ( -36.499 0.000 0.424) 36.501 5.024 ( 4.974 -0.000 -1.399) 5.167 5.133 ( 0.540 -0.000 1.988) 2.060 5.793 ( 0.097 -0.000 -0.097) 0.138 5.879 ( 5.485 -0.000 -10.015) 11.418 6.245 ( 0.024 -0.000 -0.069) 0.073 6.246 ( 0.316 -0.000 -0.096) 0.330 6.556 ( -1.792 0.000 15.086) 15.192 7.121 ( 11.865 -0.000 -6.292) 13.430 9.780 ( -0.850 0.000 -1.947) 2.125 9.895 ( 0.586 -0.000 1.577) 1.682 10.301 ( 0.064 -0.000 2.410) 2.411 10.645 ( -0.012 0.000 -2.785) 2.785 13.349 ( 0.290 -0.000 2.614) 2.630 13.681 ( -1.004 0.000 -3.638) 3.774 13.782 ( -5.632 0.000 0.070) 5.632 13.943 ( -0.256 0.000 -0.100) 0.274 13.987 ( 0.635 -0.000 1.340) 1.483 14.088 ( -1.240 0.000 0.675) 1.412 14.202 ( 15.397 -0.000 -0.267) 15.399 15.070 ( -1.010 0.000 -0.109) 1.016 16.304 ( 0.002 -0.000 0.029) 0.029 16.410 ( -2.174 0.000 0.008) 2.174 22.574 ( -0.154 0.000 -0.153) 0.217 22.585 ( 0.238 -0.000 0.177) 0.297 24.182 ( -0.103 0.000 0.092) 0.138 24.232 ( 0.108 -0.000 -0.080) 0.134 24.777 ( 3.279 -0.000 0.730) 3.359 24.828 ( -19.763 0.000 -0.781) 19.778 25.803 ( -0.351 0.000 0.206) 0.407 25.824 ( 17.358 -0.000 -0.190) 17.359 110.418 ( 0.000 -0.000 0.000) 0.000 110.428 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 70 (23/78) ======================= q-point: ( 0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( 11.736 -9.790 8.648) 17.561 0.667 ( 8.257 -3.435 15.725) 18.090 0.994 ( 2.006 -7.165 -3.741) 8.328 1.143 ( 6.540 -4.948 -1.721) 8.379 1.319 ( 13.558 -0.753 10.188) 16.976 1.508 ( 1.910 -1.749 0.449) 2.628 1.590 ( 5.669 -1.826 4.190) 7.282 1.712 ( 2.953 -0.713 -4.188) 5.174 1.841 ( 1.502 0.286 0.401) 1.581 1.860 ( 3.226 -3.103 -1.673) 4.778 1.955 ( 2.514 4.556 2.671) 5.849 2.134 ( 0.883 -6.444 3.287) 7.287 2.159 ( 0.548 3.411 -8.710) 9.370 2.255 ( -1.408 0.975 -12.841) 12.955 2.299 ( 0.267 0.251 -1.768) 1.806 2.435 ( -1.589 -5.473 -4.726) 7.404 2.475 ( -1.542 -0.944 0.423) 1.857 2.692 ( -5.597 1.516 1.661) 6.032 2.733 ( -0.069 -0.482 0.745) 0.890 2.882 ( -1.619 1.194 3.534) 4.067 2.906 ( 0.615 -0.493 4.783) 4.847 2.949 ( -3.066 -0.663 -1.484) 3.470 2.984 ( -1.613 3.237 -0.887) 3.724 3.054 ( -0.032 1.036 0.919) 1.386 3.113 ( 1.748 0.314 1.285) 2.192 3.122 ( 2.951 -2.257 -2.216) 4.326 3.321 ( 1.772 0.820 1.997) 2.793 3.381 ( 2.577 0.304 0.979) 2.773 3.447 ( 0.115 -0.625 -2.646) 2.721 3.655 ( 4.244 -1.493 8.626) 9.729 3.869 ( -2.245 0.386 -2.020) 3.045 4.078 ( 2.451 1.234 0.931) 2.897 4.334 ( -6.846 -0.287 5.850) 9.010 4.357 ( -2.330 -0.762 2.556) 3.542 4.474 ( -2.201 3.463 -1.459) 4.355 4.571 ( -4.507 -3.114 -2.056) 5.851 4.664 ( 0.172 0.419 0.179) 0.487 4.862 ( 6.378 -1.365 -2.215) 6.888 4.874 ( 2.642 -0.930 -1.537) 3.194 4.942 ( -0.124 -2.279 -1.652) 2.818 5.110 ( 4.473 2.972 3.234) 6.269 5.157 ( 2.287 -0.377 1.593) 2.812 5.746 ( -3.404 1.596 -0.292) 3.771 5.820 ( -3.749 0.571 -9.171) 9.924 6.257 ( -0.847 -0.169 0.414) 0.958 6.270 ( 1.586 -0.869 0.128) 1.813 6.557 ( -5.305 -0.932 13.449) 14.488 7.136 ( 2.779 10.082 -11.108) 15.257 9.798 ( 3.772 0.815 -1.582) 4.171 9.939 ( 3.353 -0.163 0.905) 3.476 10.315 ( -0.464 -1.135 1.958) 2.310 10.615 ( -0.995 1.034 -2.797) 3.143 13.357 ( -0.122 1.118 2.282) 2.544 13.652 ( 0.832 0.864 -1.602) 2.001 13.691 ( -6.590 -0.457 4.007) 7.726 13.914 ( -3.307 -0.619 0.007) 3.365 14.020 ( 3.079 0.857 0.785) 3.291 14.057 ( -3.909 -2.038 -0.502) 4.437 14.267 ( 1.579 4.031 -3.248) 5.412 14.836 ( -12.175 8.912 7.477) 16.840 16.284 ( 1.421 4.708 -0.163) 4.920 16.453 ( 5.063 2.470 -1.243) 5.769 22.574 ( 0.217 0.138 0.091) 0.273 22.589 ( 0.428 0.344 -0.008) 0.549 24.202 ( 1.499 -1.586 -0.028) 2.182 24.321 ( 1.200 -9.554 -2.178) 9.873 24.642 ( -5.371 -1.118 4.466) 7.074 24.932 ( 10.383 -1.658 3.825) 11.189 25.674 ( -8.277 5.321 -1.826) 10.007 25.919 ( 3.790 7.853 -5.134) 10.119 110.420 ( 0.214 -0.017 -0.001) 0.214 110.430 ( 0.012 -0.374 -0.013) 0.374 ======================= Grid point 71 (24/78) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 8.582 -5.777 4.206) 11.167 0.911 ( 9.123 -5.624 8.864) 13.908 1.140 ( 4.229 -8.831 -0.650) 9.813 1.261 ( 6.185 -3.706 -8.509) 11.153 1.445 ( 5.271 1.195 -0.934) 5.485 1.622 ( 2.831 -3.361 -0.180) 4.398 1.784 ( 6.596 -1.417 -3.897) 7.791 1.843 ( 0.098 5.197 2.077) 5.598 1.902 ( 1.280 -0.811 -1.608) 2.209 1.951 ( 17.204 -5.651 13.527) 22.603 1.993 ( 3.909 0.579 5.280) 6.595 2.115 ( 1.713 0.032 -6.046) 6.284 2.162 ( -1.137 2.475 -2.969) 4.029 2.261 ( 0.783 -4.087 -3.672) 5.550 2.308 ( 3.966 -2.058 1.348) 4.668 2.427 ( -2.792 -1.148 -1.972) 3.606 2.496 ( -0.137 -4.523 -2.397) 5.121 2.588 ( -5.135 -0.562 1.186) 5.300 2.744 ( 0.496 1.496 -0.525) 1.661 2.821 ( -3.555 -1.219 -1.494) 4.044 2.843 ( -5.659 -0.544 -0.482) 5.706 2.939 ( 0.733 2.453 1.444) 2.939 2.983 ( 0.500 -3.974 -0.904) 4.106 3.057 ( 1.547 3.468 4.024) 5.533 3.154 ( 2.756 0.654 2.692) 3.908 3.163 ( 1.587 1.154 -1.046) 2.224 3.345 ( 1.836 1.510 -0.214) 2.387 3.406 ( -2.741 -0.140 0.420) 2.776 3.433 ( 2.433 1.303 -1.763) 3.275 3.735 ( -1.023 -0.814 2.705) 3.004 3.833 ( -0.432 -0.222 -1.049) 1.156 4.119 ( 2.778 -0.018 -0.287) 2.793 4.289 ( -3.640 -2.069 5.997) 7.314 4.348 ( -0.462 0.371 -0.312) 0.669 4.361 ( -4.313 2.071 -3.452) 5.900 4.544 ( -1.584 -1.304 -0.337) 2.079 4.688 ( 2.209 0.020 -1.416) 2.624 4.903 ( 3.150 1.111 -0.205) 3.346 4.934 ( 0.385 -0.158 -0.318) 0.524 5.007 ( 5.614 -1.048 -3.532) 6.715 5.132 ( 2.100 1.252 1.489) 2.862 5.235 ( 3.422 0.384 4.038) 5.307 5.668 ( -2.319 1.388 -2.418) 3.627 5.698 ( -5.985 -0.635 -3.944) 7.196 6.187 ( -5.628 3.386 4.296) 7.849 6.313 ( 1.503 -0.718 1.447) 2.207 6.561 ( -4.772 -3.033 6.740) 8.798 6.969 ( -0.214 10.016 -8.459) 13.112 9.842 ( 4.027 2.190 -1.806) 4.927 10.000 ( 2.790 -0.265 0.690) 2.887 10.319 ( -0.955 -0.358 -0.065) 1.022 10.572 ( -1.125 0.703 -1.469) 1.980 13.344 ( -0.306 1.707 0.949) 1.977 13.615 ( -5.087 -0.412 4.081) 6.535 13.681 ( 2.924 -0.582 0.133) 2.984 13.858 ( -4.048 -0.991 -0.413) 4.188 13.987 ( -4.874 -0.831 -2.512) 5.546 14.080 ( 3.836 0.618 0.871) 3.982 14.234 ( 1.465 2.226 -1.928) 3.289 14.622 ( -7.855 4.840 4.756) 10.380 16.248 ( 1.873 5.854 -0.127) 6.148 16.479 ( 3.235 4.285 -0.286) 5.376 22.577 ( 0.256 0.176 0.146) 0.344 22.594 ( 0.651 0.320 -0.108) 0.733 24.256 ( 1.965 -2.164 -0.048) 2.923 24.436 ( 1.911 -7.178 -1.210) 7.526 24.630 ( -1.019 -0.773 4.032) 4.230 25.158 ( 9.415 -2.854 2.931) 10.265 25.453 ( -6.798 5.791 -1.473) 9.051 25.811 ( -2.558 6.957 -4.898) 8.885 110.424 ( 0.210 -0.025 -0.002) 0.211 110.437 ( 0.108 -0.487 -0.005) 0.499 ======================= Grid point 72 (25/78) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 4.898 -3.670 -0.681) 6.158 1.134 ( 5.931 -4.037 5.216) 8.870 1.313 ( 3.831 -7.120 4.359) 9.186 1.352 ( 4.187 -2.167 -1.685) 5.007 1.522 ( 2.431 -0.355 1.341) 2.799 1.702 ( 4.385 -3.431 -5.919) 8.126 1.760 ( -1.947 6.239 2.098) 6.864 1.889 ( 1.770 -1.950 -4.347) 5.083 1.909 ( 3.597 1.388 -0.809) 3.939 2.069 ( 2.510 -0.330 4.460) 5.129 2.072 ( 0.624 2.593 -4.285) 5.047 2.152 ( 3.009 -2.182 -1.069) 3.868 2.237 ( 0.805 1.349 -2.351) 2.827 2.329 ( 5.616 -1.568 6.618) 8.820 2.359 ( -4.297 0.457 1.811) 4.685 2.420 ( 2.830 -2.285 -2.375) 4.344 2.485 ( -1.741 -1.073 2.312) 3.087 2.587 ( 0.718 -2.718 0.064) 2.812 2.641 ( -5.729 1.555 -4.827) 7.651 2.779 ( -3.319 -1.112 2.919) 4.557 2.913 ( 4.267 -4.019 -1.485) 6.047 2.944 ( 1.398 -0.718 -1.032) 1.880 2.988 ( -0.642 -1.497 -2.622) 3.087 3.055 ( 0.657 4.185 4.155) 5.934 3.149 ( 0.157 1.667 -1.069) 1.986 3.204 ( 1.571 1.142 1.159) 2.262 3.355 ( -2.551 -0.290 -1.500) 2.973 3.370 ( 2.469 -1.740 1.222) 3.259 3.452 ( 2.909 2.659 -0.267) 3.951 3.658 ( -5.047 0.425 -2.536) 5.664 3.886 ( 2.295 -2.328 3.840) 5.043 4.109 ( -1.755 1.933 -2.001) 3.290 4.253 ( -2.143 -0.404 -2.794) 3.544 4.322 ( 0.250 0.722 3.825) 3.900 4.365 ( 0.880 -1.823 0.855) 2.198 4.531 ( -0.354 0.601 0.311) 0.764 4.709 ( 1.207 -0.312 -2.271) 2.590 4.919 ( -0.350 0.418 0.759) 0.935 4.965 ( 4.263 1.217 0.691) 4.487 5.038 ( 0.798 1.405 -1.783) 2.406 5.196 ( 4.256 -0.187 -1.764) 4.610 5.294 ( 1.524 -1.834 2.515) 3.465 5.597 ( -3.744 -0.114 -2.843) 4.702 5.630 ( -1.696 -0.523 -0.797) 1.946 6.080 ( -5.823 3.498 9.378) 11.580 6.315 ( -2.273 2.112 1.313) 3.369 6.509 ( -2.180 -1.538 -4.437) 5.178 6.874 ( 0.680 3.941 -1.378) 4.230 9.863 ( 2.839 1.894 -2.826) 4.431 10.040 ( 0.798 -0.202 1.341) 1.573 10.295 ( -0.338 1.168 -2.164) 2.482 10.556 ( -0.837 -0.937 0.613) 1.399 13.322 ( -0.239 1.366 -0.029) 1.387 13.573 ( -3.151 -0.835 3.939) 5.113 13.745 ( 3.595 -0.184 -1.432) 3.874 13.799 ( -3.812 -1.559 -3.095) 5.152 13.916 ( -2.556 0.010 1.498) 2.963 14.118 ( 2.554 3.387 0.957) 4.349 14.271 ( 3.337 -2.902 -1.046) 4.544 14.482 ( -6.068 3.098 2.458) 7.243 16.216 ( 1.223 3.983 -0.069) 4.167 16.471 ( 1.386 3.139 0.094) 3.432 22.579 ( 0.153 0.121 -0.089) 0.214 22.601 ( 0.463 0.166 0.074) 0.498 24.307 ( 1.266 -1.596 0.031) 2.037 24.534 ( 2.476 -3.461 0.225) 4.261 24.646 ( -0.462 -0.388 3.928) 3.974 25.212 ( -2.420 0.663 -7.168) 7.594 25.438 ( 5.692 -1.011 6.688) 8.841 25.646 ( -4.758 5.764 -4.202) 8.574 110.427 ( 0.102 -0.035 -0.001) 0.108 110.444 ( 0.123 -0.318 -0.001) 0.341 ======================= Grid point 73 (26/78) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -0.325 2.361 -0.438) 2.423 1.252 ( -0.240 -4.563 1.324) 4.758 1.359 ( -3.603 2.140 6.600) 7.818 1.496 ( 2.578 -1.200 5.047) 5.793 1.558 ( 0.817 -3.757 4.543) 5.952 1.649 ( -0.375 4.425 -2.519) 5.106 1.793 ( 2.303 -2.127 -7.144) 7.801 1.857 ( -3.161 -0.969 -3.069) 4.511 1.946 ( 3.025 -1.512 -6.002) 6.889 2.031 ( -0.704 1.979 -1.770) 2.747 2.148 ( -0.611 -1.888 1.670) 2.594 2.205 ( 1.385 2.879 -0.269) 3.206 2.254 ( -2.712 -0.605 3.139) 4.192 2.274 ( 3.528 -0.885 3.881) 5.319 2.340 ( -1.618 1.997 0.428) 2.605 2.403 ( -4.913 0.769 -1.778) 5.282 2.513 ( -5.365 0.757 -4.269) 6.898 2.545 ( 2.767 -1.212 -1.454) 3.352 2.638 ( 0.466 0.737 2.877) 3.006 2.773 ( -0.302 -2.310 1.698) 2.883 2.866 ( 0.926 2.035 -5.455) 5.896 2.956 ( 0.347 -0.583 -0.859) 1.095 3.027 ( 0.057 4.848 3.899) 6.221 3.082 ( 1.709 -0.109 0.297) 1.738 3.140 ( 0.030 -1.424 0.032) 1.425 3.238 ( 0.278 -0.208 -0.755) 0.831 3.299 ( -0.814 -0.970 -3.220) 3.460 3.380 ( -1.133 0.955 -0.670) 1.626 3.468 ( 0.864 0.838 -1.406) 1.851 3.664 ( 3.195 -1.688 2.996) 4.694 3.923 ( -2.570 0.081 5.638) 6.197 4.093 ( 0.976 -1.778 -1.117) 2.315 4.208 ( 0.054 2.021 -4.607) 5.031 4.332 ( 0.091 0.459 3.613) 3.643 4.406 ( -0.403 -2.415 1.958) 3.135 4.535 ( 2.527 1.502 0.082) 2.941 4.716 ( 0.902 0.158 -2.664) 2.817 4.920 ( -0.356 -0.965 1.415) 1.750 5.003 ( 0.875 2.656 0.601) 2.860 5.033 ( 1.920 0.374 -1.078) 2.234 5.206 ( -2.727 -1.040 -2.004) 3.541 5.376 ( 3.841 -2.153 -0.072) 4.404 5.545 ( -0.698 -0.470 -2.227) 2.381 5.613 ( 0.283 0.206 -0.985) 1.046 5.984 ( -5.384 4.724 10.548) 12.750 6.278 ( 0.122 -2.318 -1.102) 2.570 6.515 ( 1.411 -1.832 -3.967) 4.592 6.846 ( -0.540 0.486 0.077) 0.730 9.871 ( 1.629 0.581 -3.491) 3.896 10.042 ( -1.699 -0.037 2.030) 2.647 10.267 ( 0.385 1.470 -2.629) 3.036 10.568 ( -0.262 -1.872 1.185) 2.231 13.307 ( -0.098 0.661 -0.215) 0.702 13.562 ( -1.823 -0.910 3.630) 4.163 13.735 ( -3.477 -1.705 -4.026) 5.586 13.774 ( 2.626 1.537 -2.792) 4.129 13.937 ( 2.039 -0.302 4.493) 4.944 14.113 ( 1.281 3.075 0.661) 3.396 14.329 ( -5.013 0.114 -0.120) 5.016 14.408 ( 3.427 -2.051 0.935) 4.102 16.202 ( -0.003 -0.032 -0.074) 0.081 16.464 ( 0.024 -0.030 0.122) 0.128 22.579 ( -0.023 -0.053 -0.187) 0.196 22.605 ( 0.017 0.014 0.153) 0.155 24.330 ( -0.081 -0.321 0.074) 0.339 24.588 ( 1.133 0.574 0.485) 1.359 24.662 ( -0.207 0.079 4.970) 4.975 25.144 ( -0.482 -0.035 -8.086) 8.101 25.469 ( -3.867 4.321 1.387) 5.962 25.606 ( 3.515 -4.652 0.754) 5.879 110.428 ( 0.001 -0.001 -0.000) 0.001 110.447 ( 0.001 0.000 -0.000) 0.002 ======================= Grid point 74 (27/78) ======================= q-point: (-0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -6.026 7.521 0.623) 9.657 1.147 ( -13.938 5.315 6.787) 16.389 1.319 ( 1.019 0.771 -3.921) 4.124 1.481 ( -5.190 0.836 4.312) 6.799 1.559 ( -2.673 -0.213 3.786) 4.639 1.712 ( -0.974 -1.612 -2.104) 2.824 1.737 ( -0.776 1.714 -6.877) 7.130 1.808 ( -4.354 -3.843 1.021) 5.896 1.965 ( -0.174 2.121 0.091) 2.130 2.017 ( 1.381 1.359 -7.406) 7.655 2.088 ( -7.473 -3.173 -1.402) 8.239 2.103 ( -8.607 0.393 4.094) 9.539 2.162 ( -8.592 5.132 0.756) 10.036 2.274 ( -1.378 1.721 -2.837) 3.593 2.364 ( 2.965 0.776 5.590) 6.375 2.400 ( 4.228 0.497 2.141) 4.765 2.464 ( 4.229 -1.179 -0.598) 4.431 2.590 ( 2.681 -2.650 -1.874) 4.210 2.663 ( 3.488 -0.047 -0.239) 3.496 2.824 ( 1.155 -1.599 -0.210) 1.983 2.894 ( 4.954 2.012 -1.484) 5.549 2.946 ( -1.247 1.466 -1.220) 2.279 2.997 ( -0.099 0.713 0.897) 1.150 3.054 ( -0.775 3.530 0.794) 3.700 3.128 ( -3.254 -0.844 0.360) 3.381 3.216 ( -0.436 -0.558 1.813) 1.946 3.292 ( -0.306 0.168 -0.586) 0.682 3.390 ( 0.954 1.038 -0.548) 1.513 3.466 ( -0.886 -1.354 -0.682) 1.756 3.672 ( -3.007 2.475 -2.518) 4.638 3.928 ( 0.161 -0.968 5.926) 6.006 4.070 ( -3.383 0.433 -2.968) 4.521 4.190 ( 1.548 1.753 -1.466) 2.760 4.366 ( 1.231 -0.578 2.240) 2.620 4.422 ( -1.041 -1.819 1.262) 2.446 4.575 ( 4.317 2.617 0.214) 5.053 4.714 ( 1.294 0.570 -3.121) 3.426 4.936 ( -0.924 -1.460 1.672) 2.405 4.987 ( 0.554 0.892 -0.995) 1.447 5.029 ( -1.863 0.950 -1.073) 2.351 5.134 ( -4.593 -0.557 -0.362) 4.641 5.433 ( -0.827 -2.416 3.626) 4.435 5.579 ( 4.896 -0.138 -4.802) 6.860 5.647 ( 5.532 -0.514 -3.616) 6.629 5.971 ( 1.528 -0.851 10.722) 10.864 6.317 ( -0.913 -2.907 1.554) 3.420 6.516 ( 0.045 1.844 -3.277) 3.760 6.877 ( 1.340 -6.345 -1.620) 6.685 9.866 ( 0.180 -0.089 -3.830) 3.835 10.006 ( -3.838 -0.068 2.297) 4.473 10.250 ( 0.530 0.840 -1.968) 2.205 10.598 ( 0.577 -1.938 0.413) 2.064 13.304 ( 0.194 -0.103 0.331) 0.397 13.559 ( -1.714 -0.549 3.398) 3.845 13.698 ( -1.440 -1.909 -1.366) 2.754 13.795 ( 3.815 1.677 -2.423) 4.821 13.993 ( 2.418 0.977 1.770) 3.152 14.105 ( 0.708 1.679 0.612) 1.922 14.202 ( -5.892 2.690 -0.854) 6.533 14.543 ( 4.818 -5.259 1.905) 7.382 16.216 ( -1.129 -4.041 -0.071) 4.197 16.476 ( -1.130 -3.460 0.093) 3.641 22.578 ( -0.210 -0.247 -0.080) 0.335 22.602 ( -0.435 -0.111 0.065) 0.454 24.312 ( -1.483 0.964 0.035) 1.769 24.554 ( -1.166 4.676 -0.490) 4.844 24.700 ( 1.740 0.783 7.214) 7.462 25.072 ( -2.919 1.512 -8.710) 9.310 25.433 ( 0.973 -1.262 4.761) 5.021 25.709 ( 1.034 -6.713 -3.321) 7.561 110.427 ( -0.101 0.034 -0.001) 0.107 110.444 ( -0.118 0.320 -0.001) 0.341 ======================= Grid point 75 (28/78) ======================= q-point: (-0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( -11.578 10.322 1.895) 15.626 0.832 ( -15.529 8.912 6.152) 18.932 1.266 ( -10.440 1.952 0.248) 10.624 1.338 ( -9.296 1.711 -0.387) 9.460 1.472 ( -7.968 5.215 3.806) 10.255 1.624 ( -1.149 3.312 -4.142) 5.426 1.643 ( -7.030 3.270 -0.730) 7.788 1.721 ( -3.009 -0.025 -0.293) 3.023 1.875 ( -2.034 6.457 -2.664) 7.275 1.947 ( -7.041 0.660 1.040) 7.148 1.979 ( -2.660 -3.179 2.100) 4.647 2.059 ( 1.327 -1.582 -2.220) 3.032 2.161 ( -0.048 -4.263 3.042) 5.237 2.251 ( 0.541 -3.028 -5.519) 6.319 2.385 ( 1.841 2.392 1.380) 3.320 2.507 ( 3.057 -2.936 5.563) 6.994 2.574 ( 5.959 0.904 3.044) 6.753 2.650 ( 0.213 0.035 -2.105) 2.116 2.735 ( 2.831 -2.209 -2.697) 4.491 2.784 ( 0.031 0.707 -4.710) 4.763 2.932 ( 1.793 3.918 -0.208) 4.314 2.956 ( 0.769 -2.040 0.079) 2.181 2.983 ( 1.360 0.583 -3.037) 3.378 3.043 ( 0.705 1.357 4.276) 4.541 3.092 ( -1.212 0.064 2.405) 2.693 3.231 ( -0.908 -2.675 -0.771) 2.928 3.279 ( -0.816 2.794 2.946) 4.141 3.359 ( -1.912 0.718 -0.211) 2.053 3.446 ( -1.829 -0.567 -1.275) 2.300 3.535 ( -5.543 4.022 0.475) 6.865 3.973 ( 0.192 1.236 3.632) 3.841 4.005 ( -1.157 -1.725 -3.726) 4.266 4.185 ( 1.931 3.613 3.708) 5.526 4.363 ( -1.699 0.334 -0.096) 1.734 4.461 ( 1.892 -2.393 0.195) 3.057 4.603 ( 2.579 3.121 -0.539) 4.085 4.713 ( 0.318 0.233 -1.850) 1.892 4.917 ( -3.022 0.005 0.080) 3.023 4.964 ( -2.347 -0.574 -2.028) 3.155 4.992 ( 0.385 -0.025 -1.112) 1.177 5.098 ( -0.970 -0.551 1.384) 1.777 5.482 ( 1.101 -2.563 7.509) 8.011 5.623 ( 1.433 -2.305 -5.537) 6.166 5.747 ( 8.077 0.024 -9.454) 12.434 6.130 ( 5.535 -4.445 8.271) 10.899 6.316 ( -2.423 -0.084 2.847) 3.740 6.461 ( -1.859 2.459 3.844) 4.927 6.986 ( 1.009 -9.883 -7.416) 12.397 9.845 ( -1.025 -0.730 -2.875) 3.139 9.943 ( -4.489 0.111 2.034) 4.930 10.248 ( 0.465 -0.356 -0.463) 0.747 10.630 ( 1.025 -1.316 -1.051) 1.971 13.317 ( 0.450 -0.341 1.061) 1.202 13.562 ( -0.859 -1.184 5.665) 5.851 13.714 ( 1.032 -1.388 0.493) 1.798 13.841 ( 4.828 1.231 -2.344) 5.507 14.001 ( 0.591 2.286 -1.002) 2.565 14.070 ( -4.410 1.169 -2.959) 5.438 14.113 ( 0.758 2.676 2.922) 4.034 14.699 ( 4.060 -6.351 3.447) 8.289 16.251 ( -1.608 -5.752 -0.137) 5.974 16.500 ( -2.455 -5.587 -0.430) 6.118 22.577 ( -0.289 -0.385 0.158) 0.507 22.593 ( -0.711 -0.143 -0.118) 0.735 24.264 ( -2.245 1.689 -0.039) 2.809 24.453 ( -0.842 8.401 -1.560) 8.586 24.771 ( 3.592 1.877 6.453) 7.620 24.959 ( -3.386 1.396 0.157) 3.666 25.539 ( 2.278 -6.656 1.362) 7.166 25.751 ( -2.255 -6.737 -7.080) 10.030 110.424 ( -0.209 0.026 -0.002) 0.210 110.437 ( -0.094 0.493 -0.007) 0.502 ======================= Grid point 76 (29/78) ======================= q-point: (-0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( -11.901 10.932 7.042) 17.628 0.522 ( -13.316 7.647 11.839) 19.389 0.882 ( -20.729 10.327 21.150) 31.363 1.175 ( -8.493 4.755 -0.944) 9.780 1.330 ( -2.185 1.455 -7.681) 8.118 1.540 ( -3.029 -1.519 -1.641) 3.765 1.569 ( -1.770 1.301 -0.721) 2.312 1.716 ( 2.989 1.199 -2.298) 3.956 1.777 ( -1.993 2.459 -3.607) 4.799 1.859 ( -2.172 1.071 0.883) 2.578 1.980 ( -4.167 -5.066 3.083) 7.248 2.070 ( 1.716 3.540 -0.331) 3.948 2.209 ( 0.163 -1.925 -1.020) 2.185 2.306 ( 0.718 -5.494 -4.098) 6.891 2.401 ( 1.354 -0.979 0.704) 1.813 2.542 ( -2.685 2.599 -1.818) 4.156 2.596 ( -1.355 2.011 -8.309) 8.656 2.668 ( 4.776 -0.714 3.514) 5.972 2.719 ( -1.029 -0.087 -1.108) 1.514 2.840 ( -0.868 -0.090 -2.400) 2.554 2.883 ( 5.403 0.723 -0.331) 5.461 2.970 ( -4.245 -1.386 1.308) 4.653 3.014 ( 3.718 1.659 0.166) 4.075 3.045 ( -0.621 -0.340 0.616) 0.938 3.107 ( 0.649 0.356 -0.151) 0.756 3.169 ( -3.742 2.140 -2.625) 5.047 3.278 ( -0.620 -1.675 2.810) 3.330 3.364 ( 0.103 -0.669 4.606) 4.656 3.409 ( -0.921 0.896 0.184) 1.298 3.481 ( -0.082 0.797 8.123) 8.162 3.964 ( 0.528 -0.432 -2.292) 2.391 4.005 ( -1.289 -0.675 1.422) 2.035 4.265 ( 9.733 2.430 8.737) 13.304 4.339 ( 0.446 1.177 0.822) 1.504 4.503 ( -0.956 -2.487 -0.931) 2.822 4.576 ( -0.673 2.839 -1.316) 3.201 4.694 ( -1.587 0.341 -0.151) 1.630 4.870 ( -1.738 0.135 -0.077) 1.745 4.954 ( 1.287 -1.778 -3.611) 4.225 4.985 ( 0.477 0.993 -2.366) 2.610 5.111 ( 0.438 -0.425 2.011) 2.102 5.553 ( -13.611 -4.397 -16.245) 21.645 5.646 ( 8.302 -6.007 7.301) 12.582 5.800 ( 6.410 3.157 -7.494) 10.355 6.250 ( 1.004 -1.258 1.070) 1.933 6.272 ( -2.054 1.469 0.204) 2.534 6.490 ( -0.340 -0.332 15.769) 15.776 7.020 ( -2.204 -6.596 -9.266) 11.585 9.821 ( -2.658 -1.737 -1.899) 3.700 9.893 ( -1.679 0.134 2.239) 2.802 10.272 ( 0.818 -1.240 1.862) 2.382 10.648 ( 0.716 -0.576 -2.384) 2.555 13.332 ( 0.289 0.012 1.665) 1.690 13.653 ( 1.220 -6.906 5.552) 8.945 13.781 ( 8.146 1.714 4.459) 9.444 13.890 ( 3.757 0.995 -1.422) 4.139 13.961 ( 0.457 3.221 -0.929) 3.384 13.995 ( -1.970 0.327 1.211) 2.336 14.109 ( 0.281 2.165 1.914) 2.903 14.874 ( 4.810 -8.455 6.280) 11.579 16.286 ( -1.231 -4.342 -0.197) 4.518 16.497 ( -5.226 -4.894 -2.828) 7.698 22.578 ( -0.352 -0.339 0.364) 0.609 22.583 ( -0.409 -0.117 -0.229) 0.483 24.207 ( -1.792 1.557 -0.058) 2.375 24.326 ( 0.187 10.556 -2.497) 10.848 24.770 ( -0.775 1.465 -2.134) 2.701 25.032 ( 5.514 0.511 9.103) 10.655 25.577 ( -7.934 -11.297 -5.736) 14.949 25.770 ( 1.975 -2.476 0.409) 3.194 110.420 ( -0.213 0.020 -0.002) 0.214 110.431 ( 0.005 0.393 -0.024) 0.394 ======================= Grid point 78 (30/78) ======================= q-point: ( 0.12 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 14.371 -0.000 7.370) 16.151 0.894 ( 10.513 -0.000 12.319) 16.195 0.979 ( 4.173 -0.000 -3.054) 5.171 1.216 ( 9.711 -0.000 -9.515) 13.595 1.483 ( 0.454 -0.000 -3.317) 3.347 1.566 ( 6.291 -0.000 -0.340) 6.300 1.759 ( 7.850 -0.000 -3.793) 8.718 1.877 ( 1.917 -0.000 -2.475) 3.130 1.884 ( 18.474 -0.000 13.565) 22.919 1.895 ( 5.852 -0.000 2.480) 6.356 2.084 ( -2.026 0.000 5.043) 5.435 2.097 ( 6.527 -0.000 3.723) 7.514 2.153 ( 0.257 -0.000 -8.081) 8.085 2.193 ( 1.525 -0.000 -10.848) 10.955 2.309 ( 2.888 -0.000 -4.336) 5.210 2.370 ( -3.161 0.000 4.942) 5.866 2.448 ( -1.059 0.000 0.685) 1.261 2.595 ( -7.271 0.000 1.176) 7.366 2.751 ( 2.514 -0.000 -1.127) 2.755 2.824 ( -6.592 0.000 -2.704) 7.125 2.831 ( -5.954 0.000 2.122) 6.321 2.929 ( 0.584 -0.000 -0.827) 1.013 2.975 ( -1.182 0.000 1.243) 1.715 3.100 ( 1.598 -0.000 4.027) 4.333 3.164 ( 2.066 -0.000 2.705) 3.404 3.183 ( 4.670 -0.000 -1.012) 4.778 3.374 ( 2.536 -0.000 0.723) 2.637 3.398 ( -3.783 0.000 -1.575) 4.098 3.452 ( 4.358 -0.000 -0.565) 4.394 3.716 ( -0.258 0.000 2.090) 2.106 3.833 ( -1.788 0.000 1.458) 2.307 4.118 ( 1.322 -0.000 -0.457) 1.399 4.247 ( -4.864 0.000 9.523) 10.693 4.362 ( 0.645 -0.000 -2.091) 2.188 4.394 ( -6.419 0.000 -4.279) 7.714 4.513 ( 0.363 -0.000 1.284) 1.334 4.690 ( 2.011 -0.000 -1.896) 2.764 4.916 ( 3.660 -0.000 -0.452) 3.687 4.924 ( -0.040 0.000 -0.759) 0.760 4.990 ( 8.490 -0.000 -2.610) 8.882 5.154 ( -0.007 0.000 1.156) 1.156 5.233 ( 1.827 -0.000 4.798) 5.134 5.672 ( -5.309 0.000 -0.458) 5.328 5.707 ( -3.795 0.000 -7.491) 8.398 6.247 ( -2.455 0.000 1.791) 3.039 6.309 ( 2.633 -0.000 -0.032) 2.633 6.496 ( -7.163 0.000 13.486) 15.270 7.114 ( -3.067 0.000 -13.291) 13.640 9.873 ( 4.554 -0.000 -1.478) 4.788 10.001 ( 2.977 -0.000 0.784) 3.079 10.303 ( -1.018 0.000 2.408) 2.614 10.578 ( -2.309 0.000 -2.856) 3.673 13.365 ( -0.918 0.000 1.492) 1.751 13.618 ( -4.567 0.000 3.989) 6.063 13.666 ( 1.969 -0.000 -1.095) 2.253 13.845 ( -4.003 0.000 -0.990) 4.123 13.962 ( -4.608 0.000 -0.838) 4.684 14.096 ( 4.935 -0.000 -0.031) 4.935 14.269 ( 0.256 -0.000 -6.681) 6.685 14.705 ( -12.032 0.000 9.124) 15.100 16.316 ( -0.347 0.000 0.007) 0.347 16.539 ( 2.927 -0.000 -1.308) 3.206 22.579 ( 0.194 -0.000 0.181) 0.265 22.599 ( 0.584 -0.000 -0.084) 0.590 24.199 ( 0.653 -0.000 0.038) 0.654 24.364 ( 7.875 -0.000 -0.020) 7.875 24.622 ( -0.485 0.000 4.186) 4.214 25.122 ( 9.400 -0.000 3.857) 10.161 25.528 ( -9.711 0.000 -1.481) 9.823 25.904 ( -4.641 0.000 -7.330) 8.676 110.426 ( 0.448 -0.000 0.000) 0.448 110.428 ( 0.024 -0.000 -0.000) 0.024 ======================= Grid point 79 (31/78) ======================= q-point: ( 0.25 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 7.044 0.052 -3.307) 7.782 1.065 ( 8.123 -1.652 8.730) 12.038 1.155 ( 7.913 -5.258 6.228) 11.360 1.349 ( 9.744 0.807 -5.922) 11.431 1.497 ( 2.728 -1.382 -1.961) 3.632 1.631 ( 3.589 -1.703 -4.844) 6.265 1.875 ( 2.776 0.767 -3.756) 4.733 1.892 ( 3.607 1.288 -2.516) 4.582 1.954 ( 5.366 3.234 1.779) 6.513 2.056 ( -0.732 0.834 5.618) 5.727 2.116 ( 1.561 0.312 -6.698) 6.885 2.132 ( -0.223 1.017 0.453) 1.135 2.234 ( 0.681 -1.988 0.397) 2.138 2.294 ( 12.566 -0.503 5.829) 13.861 2.344 ( -1.469 -2.166 6.571) 7.073 2.361 ( 1.682 -2.277 -4.478) 5.298 2.454 ( -4.442 0.205 1.138) 4.590 2.496 ( -0.775 -3.548 0.964) 3.758 2.683 ( -6.696 1.293 -3.601) 7.712 2.763 ( -2.521 -0.328 0.127) 2.545 2.828 ( 6.437 -1.909 1.122) 6.807 2.947 ( 0.852 -0.537 -2.189) 2.410 2.972 ( 0.620 0.378 1.398) 1.575 3.128 ( 0.399 1.565 3.820) 4.147 3.196 ( 1.287 1.914 0.357) 2.334 3.238 ( 2.073 0.676 2.002) 2.960 3.320 ( -3.083 -1.410 -0.468) 3.422 3.381 ( -0.300 1.658 -2.406) 2.937 3.513 ( 3.544 1.814 0.278) 3.991 3.663 ( -4.591 -0.006 -4.237) 6.248 3.837 ( 0.094 -1.409 3.665) 3.927 4.137 ( -0.113 0.748 -0.834) 1.126 4.196 ( -4.385 -2.915 0.768) 5.321 4.340 ( 0.501 0.669 1.493) 1.711 4.361 ( 1.153 0.397 -1.761) 2.142 4.527 ( -0.328 -0.517 1.584) 1.698 4.703 ( 1.097 -0.182 -3.122) 3.314 4.914 ( -1.389 -0.383 -0.030) 1.441 4.981 ( 4.315 0.237 -1.029) 4.442 5.079 ( 2.352 1.958 0.742) 3.149 5.183 ( 3.357 -1.592 -0.037) 3.716 5.239 ( -3.250 -1.378 2.374) 4.254 5.588 ( -4.043 -0.105 -1.105) 4.193 5.637 ( -0.634 0.264 -4.246) 4.301 6.169 ( -5.742 3.411 7.140) 9.777 6.348 ( 1.264 0.697 1.418) 2.023 6.449 ( -6.940 -2.704 3.842) 8.381 6.988 ( -1.048 3.789 -7.555) 8.517 9.914 ( 2.547 1.718 -2.866) 4.202 10.041 ( 1.266 0.169 1.430) 1.917 10.299 ( -0.994 -0.409 0.256) 1.105 10.525 ( -2.846 -1.057 -1.063) 3.217 13.345 ( -1.427 0.485 0.215) 1.522 13.571 ( -2.402 0.427 2.491) 3.487 13.721 ( 3.371 -1.410 0.601) 3.703 13.776 ( -3.176 -0.497 -2.894) 4.325 13.906 ( -2.229 -0.274 0.879) 2.412 14.181 ( 5.607 1.187 -0.542) 5.756 14.237 ( 0.428 -0.187 -6.186) 6.203 14.557 ( -8.665 2.605 8.083) 12.133 16.279 ( -2.964 1.355 -0.019) 3.259 16.536 ( -1.084 1.863 -0.292) 2.175 22.581 ( -0.015 0.048 0.011) 0.052 22.607 ( 0.538 0.243 0.033) 0.591 24.230 ( 0.444 -3.042 0.030) 3.074 24.519 ( 10.091 0.670 -0.000) 10.113 24.642 ( -0.083 -0.091 4.376) 4.377 25.210 ( -0.645 -0.423 -6.125) 6.174 25.427 ( -1.237 0.015 7.322) 7.426 25.750 ( -7.011 2.547 -6.160) 9.674 110.428 ( 0.128 0.089 -0.000) 0.156 110.436 ( 0.440 -0.243 -0.000) 0.503 ======================= Grid point 80 (32/78) ======================= q-point: ( 0.38 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 2.548 -3.565 -0.674) 4.434 1.198 ( 3.102 1.175 3.333) 4.702 1.351 ( 5.933 -2.296 5.787) 8.600 1.455 ( 5.414 0.384 1.440) 5.615 1.547 ( 0.589 0.081 2.313) 2.388 1.720 ( 7.836 -2.641 -9.687) 12.736 1.815 ( -1.856 7.356 -1.816) 7.801 1.867 ( -1.267 2.087 -1.885) 3.085 1.962 ( -1.674 3.304 -3.062) 4.806 2.071 ( -1.021 -0.689 3.523) 3.732 2.093 ( -0.532 -0.858 -2.315) 2.526 2.210 ( 6.713 -1.695 0.894) 6.981 2.246 ( -1.173 -1.802 5.627) 6.023 2.254 ( -9.134 -0.271 0.648) 9.161 2.344 ( -0.305 -0.485 -0.755) 0.947 2.377 ( -5.786 -2.239 -0.667) 6.240 2.515 ( 2.890 -1.267 3.016) 4.365 2.557 ( -1.362 1.509 -4.297) 4.754 2.612 ( 6.287 -2.453 -0.268) 6.754 2.740 ( -0.857 -0.654 -1.289) 1.680 2.919 ( 0.320 2.575 -4.403) 5.110 2.952 ( 1.415 -0.124 3.343) 3.632 3.031 ( 4.793 -2.452 1.241) 5.525 3.112 ( -2.023 1.961 3.186) 4.253 3.178 ( 0.902 4.123 -0.516) 4.252 3.234 ( 1.559 -0.091 -1.059) 1.886 3.303 ( -3.239 1.341 -3.130) 4.700 3.373 ( -0.345 -1.992 -1.088) 2.296 3.528 ( 1.626 3.448 -1.382) 4.055 3.616 ( 3.133 -1.758 1.679) 3.965 3.888 ( -0.979 -2.981 4.512) 5.496 4.074 ( -2.447 0.258 -0.926) 2.629 4.215 ( 1.162 -1.304 -4.117) 4.472 4.343 ( -0.899 0.447 3.377) 3.524 4.375 ( 0.233 -0.251 0.747) 0.822 4.545 ( 1.938 -0.435 1.203) 2.322 4.711 ( 1.184 -0.487 -2.654) 2.947 4.891 ( -2.317 -1.388 0.404) 2.731 5.029 ( 1.004 -0.275 -1.406) 1.750 5.067 ( 0.054 2.648 3.516) 4.402 5.181 ( -3.278 -0.916 -3.631) 4.977 5.284 ( 0.874 -4.952 1.037) 5.134 5.546 ( 1.024 0.843 -1.702) 2.157 5.623 ( 0.863 0.014 -2.240) 2.400 6.083 ( -5.790 3.390 11.685) 13.474 6.263 ( -6.440 0.972 -2.779) 7.081 6.443 ( 1.239 -3.110 -1.606) 3.712 6.924 ( 0.469 4.132 -1.633) 4.468 9.901 ( 0.855 1.835 -3.812) 4.316 10.050 ( -0.862 0.554 2.205) 2.431 10.275 ( -1.529 -0.535 -3.048) 3.452 10.509 ( -1.914 -2.725 1.982) 3.875 13.315 ( -1.497 0.087 -0.323) 1.534 13.554 ( -0.775 0.129 2.153) 2.292 13.713 ( -2.122 -0.011 -2.666) 3.408 13.805 ( 4.265 0.140 -1.004) 4.384 13.908 ( 0.765 -1.034 3.517) 3.745 14.182 ( -0.257 1.624 -4.170) 4.483 14.292 ( 4.491 -1.073 -0.410) 4.636 14.434 ( -5.800 2.449 5.089) 8.095 16.196 ( -5.716 -0.375 -0.026) 5.729 16.474 ( -3.771 0.722 -0.009) 3.840 22.578 ( -0.223 -0.013 -0.172) 0.282 22.610 ( 0.140 0.369 0.168) 0.429 24.270 ( -0.352 -3.311 0.146) 3.333 24.655 ( 3.125 1.813 1.491) 3.908 24.671 ( 6.486 2.513 3.527) 7.799 25.135 ( -2.180 -0.451 -7.820) 8.130 25.489 ( -0.351 -3.785 5.685) 6.839 25.570 ( -7.168 2.688 -3.444) 8.395 110.429 ( 0.106 0.070 -0.000) 0.127 110.446 ( 0.367 -0.081 -0.000) 0.376 ======================= Grid point 81 (33/78) ======================= q-point: (-0.50 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -5.296 -0.661 4.021) 6.682 1.191 ( 2.294 4.854 0.692) 5.413 1.418 ( 0.973 5.075 1.299) 5.329 1.537 ( -1.763 -2.855 5.284) 6.259 1.546 ( -3.136 3.524 6.784) 8.263 1.651 ( -2.541 1.850 -5.591) 6.414 1.755 ( -2.834 1.250 -3.971) 5.036 1.796 ( -0.790 1.843 -3.739) 4.242 1.952 ( 3.788 -3.262 -8.577) 9.928 2.034 ( -2.414 2.356 1.028) 3.526 2.062 ( -4.936 -0.958 0.031) 5.028 2.123 ( -5.544 1.392 3.674) 6.795 2.248 ( -3.162 -2.404 -2.826) 4.874 2.306 ( -2.847 -1.829 3.872) 5.142 2.340 ( 0.408 1.931 0.889) 2.165 2.401 ( 6.245 -1.911 3.267) 7.302 2.470 ( 0.044 2.980 -1.140) 3.191 2.579 ( 1.734 0.709 -0.529) 1.946 2.671 ( 0.787 1.105 1.561) 2.068 2.750 ( 0.776 -2.410 -1.471) 2.928 2.929 ( 5.241 1.096 -2.938) 6.108 2.977 ( 1.685 0.196 -0.142) 1.702 3.034 ( -6.336 1.703 0.645) 6.592 3.100 ( 0.780 -0.562 -0.026) 0.962 3.131 ( -0.446 2.204 -1.366) 2.631 3.224 ( -2.867 0.118 -1.069) 3.062 3.282 ( 1.598 0.340 1.630) 2.308 3.387 ( 3.304 -0.553 -1.609) 3.717 3.495 ( 0.444 3.003 -1.969) 3.618 3.711 ( 1.330 0.490 0.104) 1.422 3.896 ( -2.516 -1.657 5.290) 6.087 4.053 ( -1.922 -1.564 -2.003) 3.186 4.211 ( 1.158 0.172 -4.398) 4.551 4.356 ( 0.025 -0.472 3.921) 3.950 4.381 ( -0.399 -1.504 1.509) 2.168 4.610 ( 4.542 0.379 -0.965) 4.658 4.724 ( 1.039 0.166 -0.646) 1.235 4.879 ( -2.689 -3.178 0.952) 4.271 5.006 ( -1.767 0.807 1.461) 2.430 5.056 ( -1.423 1.403 -1.754) 2.659 5.112 ( -3.727 -1.493 -2.867) 4.934 5.327 ( -3.453 -6.063 1.964) 7.249 5.581 ( 4.180 0.572 -4.267) 6.001 5.652 ( 4.459 0.872 -0.651) 4.590 6.003 ( -3.577 2.434 10.707) 11.548 6.216 ( -0.907 -4.686 -2.333) 5.313 6.496 ( 2.251 -1.724 -2.267) 3.630 6.872 ( -0.549 3.746 0.175) 3.790 9.871 ( -0.606 0.633 -3.495) 3.603 10.022 ( -2.439 1.229 2.125) 3.460 10.237 ( -2.350 -1.746 -3.754) 4.761 10.536 ( -0.532 -3.140 2.468) 4.029 13.293 ( -1.323 -0.726 -0.236) 1.528 13.554 ( -0.752 -0.006 2.215) 2.340 13.685 ( 0.417 0.602 -0.471) 0.871 13.850 ( 4.380 2.701 -1.468) 5.351 13.979 ( 2.538 -1.745 2.893) 4.226 14.131 ( -1.709 0.244 -4.568) 4.883 14.278 ( -4.703 3.876 5.208) 8.017 14.447 ( 4.825 -2.925 -0.934) 5.719 16.112 ( -7.078 -4.430 -0.003) 8.350 16.409 ( -4.717 -2.260 0.064) 5.231 22.573 ( -0.398 -0.166 -0.184) 0.469 22.605 ( -0.356 0.325 0.169) 0.511 24.288 ( -1.377 -2.000 0.214) 2.438 24.663 ( 0.227 2.148 2.531) 3.327 24.763 ( 7.552 6.030 3.159) 10.167 25.077 ( -1.765 -0.832 -8.344) 8.569 25.433 ( -4.926 1.058 3.121) 5.927 25.546 ( -2.015 -7.075 -1.034) 7.429 110.430 ( 0.043 0.137 -0.000) 0.143 110.450 ( 0.205 0.197 -0.001) 0.284 ======================= Grid point 82 (34/78) ======================= q-point: (-0.38 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -9.372 9.011 3.566) 13.481 1.083 ( -8.191 11.346 2.776) 14.267 1.332 ( -2.901 4.451 -3.620) 6.429 1.375 ( -4.810 1.478 -0.647) 5.073 1.552 ( -2.331 1.430 5.845) 6.453 1.660 ( -2.834 -0.138 -0.565) 2.893 1.686 ( -2.735 -1.163 0.046) 2.973 1.769 ( -0.863 1.461 3.590) 3.971 1.900 ( -7.515 -0.310 2.743) 8.006 1.943 ( -3.475 0.763 -3.413) 4.930 2.053 ( -1.014 0.528 -0.251) 1.170 2.079 ( 0.973 6.514 -3.934) 7.672 2.129 ( -2.163 5.448 -1.297) 6.003 2.221 ( -1.869 -2.123 -3.534) 4.527 2.411 ( 0.438 -3.393 6.018) 6.922 2.456 ( 1.861 2.531 1.180) 3.356 2.541 ( 4.917 -3.132 1.518) 6.024 2.627 ( 2.548 0.368 1.924) 3.214 2.703 ( 3.130 -2.445 -1.515) 4.251 2.779 ( -1.624 -2.019 -1.878) 3.200 2.905 ( -2.410 0.083 -3.955) 4.632 2.988 ( 2.773 1.413 0.397) 3.138 2.996 ( -0.007 -0.997 -1.923) 2.165 3.102 ( -0.148 2.528 -0.249) 2.544 3.110 ( 1.774 1.382 1.115) 2.510 3.185 ( -2.276 -1.253 -1.233) 2.876 3.309 ( 0.816 0.693 5.389) 5.495 3.402 ( -1.532 2.188 -2.474) 3.641 3.463 ( 0.386 2.183 -0.996) 2.430 3.636 ( -4.026 4.151 -0.793) 5.837 3.926 ( 0.420 -3.117 1.115) 3.337 4.013 ( -1.434 0.467 -2.464) 2.889 4.223 ( 1.831 -0.227 -1.120) 2.158 4.358 ( -1.729 -1.073 1.772) 2.699 4.427 ( 1.966 -0.528 1.938) 2.811 4.649 ( 1.455 0.494 -3.350) 3.686 4.729 ( 0.186 1.156 0.429) 1.247 4.872 ( -3.934 -4.045 0.938) 5.720 4.963 ( -4.295 0.771 -3.902) 5.854 4.991 ( -0.462 -0.131 1.744) 1.809 5.084 ( -0.662 -0.832 -0.582) 1.212 5.359 ( -2.964 -7.238 2.718) 8.280 5.596 ( 0.480 -0.239 -4.120) 4.154 5.732 ( 6.011 -0.227 -3.994) 7.221 6.078 ( 6.345 -1.324 10.134) 12.030 6.261 ( -0.761 -4.459 1.618) 4.804 6.507 ( 0.056 1.892 -3.429) 3.916 6.849 ( -0.037 -1.264 0.031) 1.265 9.831 ( -1.991 -0.382 -2.813) 3.467 9.968 ( -2.590 1.925 1.493) 3.555 10.207 ( -2.420 -2.998 -2.127) 4.401 10.579 ( 0.179 -3.035 0.840) 3.154 13.288 ( -0.884 -1.741 0.312) 1.977 13.550 ( -1.143 -0.027 3.386) 3.574 13.713 ( 3.581 0.870 1.813) 4.107 13.888 ( 4.641 2.793 -1.594) 5.646 14.025 ( -0.229 0.292 1.790) 1.828 14.072 ( -3.040 -0.513 -4.271) 5.267 14.199 ( -0.863 3.596 3.459) 5.063 14.569 ( 4.350 -4.410 -0.246) 6.199 16.072 ( -6.392 -8.704 0.019) 10.799 16.375 ( -4.343 -5.043 0.099) 6.656 22.568 ( -0.442 -0.373 -0.057) 0.581 22.593 ( -0.681 0.167 0.058) 0.703 24.273 ( -1.951 -0.226 0.234) 1.977 24.634 ( 0.645 5.476 0.783) 5.569 24.838 ( 6.432 4.090 2.201) 7.933 24.995 ( -2.682 1.534 -2.279) 3.839 25.399 ( -4.927 -4.249 1.878) 6.772 25.590 ( -0.730 -7.261 -3.156) 7.950 110.428 ( -0.048 0.219 -0.001) 0.224 110.448 ( 0.077 0.461 -0.006) 0.468 ======================= Grid point 83 (35/78) ======================= q-point: (-0.25 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( -9.757 12.625 5.731) 16.954 0.798 ( -9.369 12.294 7.331) 17.107 1.201 ( -3.203 11.572 3.170) 12.419 1.288 ( -0.950 4.281 -6.090) 7.505 1.495 ( -2.995 7.820 5.113) 9.812 1.524 ( -9.022 4.770 1.768) 10.357 1.620 ( -3.593 3.202 1.908) 5.177 1.713 ( 0.539 -0.132 1.040) 1.179 1.846 ( -5.247 -3.896 3.618) 7.470 1.873 ( -2.663 2.276 -3.236) 4.769 1.937 ( -0.648 6.060 -0.721) 6.137 2.094 ( 3.405 -5.674 0.617) 6.645 2.155 ( 2.996 -0.652 -5.810) 6.570 2.202 ( -0.223 1.133 -0.948) 1.494 2.429 ( -0.731 1.337 0.541) 1.617 2.521 ( 1.128 -3.339 6.332) 7.246 2.622 ( -0.640 1.883 -4.770) 5.168 2.647 ( 0.955 -4.252 0.470) 4.383 2.735 ( 1.461 1.632 3.174) 3.856 2.781 ( 2.536 -1.762 -8.001) 8.576 2.924 ( -0.199 -1.894 -4.460) 4.849 2.965 ( -0.434 -0.395 -0.291) 0.655 3.018 ( 1.551 1.587 1.198) 2.522 3.060 ( -1.276 2.214 1.070) 2.770 3.124 ( -0.074 0.527 -0.142) 0.550 3.174 ( 0.050 -2.654 -1.804) 3.209 3.281 ( -4.038 3.342 -3.338) 6.214 3.346 ( 0.115 -0.335 4.959) 4.971 3.442 ( 0.723 1.905 -1.674) 2.637 3.551 ( -1.830 4.301 9.017) 10.157 3.952 ( 0.235 -1.136 -6.428) 6.531 3.997 ( 0.595 0.241 1.983) 2.084 4.275 ( 3.212 -1.223 1.385) 3.705 4.361 ( 0.928 -0.381 1.729) 1.998 4.466 ( 1.432 -0.368 0.052) 1.480 4.614 ( -2.515 0.485 -2.439) 3.536 4.705 ( -1.892 0.319 -0.215) 1.931 4.867 ( -0.784 -2.065 0.196) 2.218 4.892 ( -2.095 -1.739 -2.525) 3.713 4.999 ( -0.042 0.023 0.585) 0.586 5.092 ( -0.322 -1.624 0.419) 1.708 5.372 ( -8.906 -7.619 -6.875) 13.588 5.603 ( 3.470 -0.244 2.676) 4.389 5.801 ( 3.974 -1.829 -7.487) 8.671 6.261 ( 6.885 1.923 1.765) 7.363 6.312 ( 1.383 -1.559 8.046) 8.312 6.447 ( -3.292 0.022 4.010) 5.188 6.876 ( -0.692 -4.610 -2.938) 5.510 9.788 ( -2.293 -0.910 -2.150) 3.272 9.917 ( -1.149 2.002 1.017) 2.523 10.215 ( -0.347 -3.473 1.370) 3.750 10.612 ( -0.153 -2.660 -1.511) 3.063 13.304 ( -0.449 -2.255 0.919) 2.476 13.562 ( -0.430 -1.302 5.182) 5.360 13.804 ( 6.524 0.481 2.961) 7.180 13.906 ( 0.227 0.899 -1.587) 1.838 13.996 ( -1.456 0.837 -1.446) 2.216 14.013 ( -1.626 1.279 2.413) 3.179 14.190 ( 1.979 3.125 0.730) 3.770 14.686 ( 2.077 -6.231 0.853) 6.623 16.097 ( -4.170 -10.779 -0.061) 11.558 16.374 ( -3.336 -5.590 0.007) 6.510 22.567 ( -0.296 -0.547 0.125) 0.635 22.581 ( -0.576 0.008 -0.098) 0.585 24.237 ( -1.615 1.191 0.248) 2.022 24.572 ( 1.735 8.083 -1.762) 8.453 24.825 ( -0.768 2.661 -4.068) 4.922 25.056 ( 6.511 1.573 8.338) 10.695 25.324 ( -9.813 -8.051 -2.735) 12.985 25.669 ( 1.577 -5.779 -0.157) 5.993 110.423 ( -0.093 0.250 -0.003) 0.266 110.443 ( 0.033 0.585 -0.027) 0.586 ======================= Grid point 84 (36/78) ======================= q-point: (-0.12 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 2.908 12.829 12.081) 17.860 0.609 ( -1.007 11.779 13.888) 18.239 1.024 ( 2.906 15.547 8.728) 18.064 1.177 ( -0.803 10.842 1.666) 10.998 1.282 ( -2.850 6.042 -3.445) 7.516 1.492 ( -0.118 -0.581 -0.172) 0.618 1.568 ( -0.536 2.009 2.786) 3.476 1.712 ( 0.852 0.573 -4.644) 4.756 1.827 ( 0.390 0.367 0.539) 0.760 1.857 ( -0.251 -0.015 2.466) 2.478 1.885 ( -0.313 -0.449 1.402) 1.505 2.158 ( 1.750 -0.266 -6.859) 7.083 2.173 ( 0.295 4.095 1.532) 4.382 2.229 ( 1.108 -7.250 -1.241) 7.439 2.375 ( -2.424 1.265 -5.716) 6.336 2.515 ( -1.274 2.281 -3.281) 4.194 2.579 ( -0.984 5.600 -6.677) 8.769 2.693 ( 0.314 -2.757 2.349) 3.635 2.765 ( -2.444 -2.180 -2.713) 4.253 2.788 ( 3.925 -0.681 4.636) 6.113 2.889 ( -1.469 -1.970 -0.153) 2.462 2.990 ( 0.856 3.741 -0.759) 3.912 3.018 ( -1.939 -0.649 -1.141) 2.342 3.028 ( 0.295 -1.286 2.718) 3.021 3.104 ( -1.739 -0.661 -0.701) 1.988 3.164 ( 0.186 3.672 -3.404) 5.010 3.260 ( 0.950 -3.794 1.462) 4.175 3.358 ( -0.615 0.084 3.448) 3.503 3.447 ( 2.346 0.736 -2.917) 3.815 3.567 ( 1.967 2.776 12.318) 12.779 3.916 ( -1.191 -0.141 -5.982) 6.101 4.025 ( 1.415 -0.282 2.274) 2.693 4.326 ( 0.345 -1.295 0.970) 1.654 4.430 ( -0.099 -3.427 1.231) 3.643 4.465 ( -0.235 1.374 -0.435) 1.460 4.597 ( 2.949 -0.645 -1.639) 3.435 4.667 ( -1.684 -0.666 -1.444) 2.316 4.855 ( -0.519 -0.074 -0.240) 0.577 4.951 ( 3.967 -2.895 0.070) 4.911 4.966 ( -5.292 -0.407 -1.184) 5.438 5.094 ( -10.347 0.938 -4.295) 11.242 5.132 ( -3.017 2.412 -2.077) 4.386 5.729 ( 2.438 -3.375 3.368) 5.355 5.846 ( 3.449 -2.780 -9.652) 10.619 6.276 ( 0.141 2.020 0.455) 2.075 6.308 ( -0.708 4.971 -0.169) 5.024 6.521 ( -0.454 -3.424 13.910) 14.332 6.950 ( 4.181 -9.128 -1.699) 10.183 9.765 ( -0.088 -0.911 -1.958) 2.162 9.902 ( 1.125 1.118 0.962) 1.855 10.286 ( 2.245 -2.014 3.106) 4.330 10.621 ( -0.639 -2.220 -2.767) 3.604 13.330 ( -0.092 -1.782 1.717) 2.477 13.614 ( 0.425 -3.084 2.899) 4.254 13.806 ( -5.445 1.396 -1.196) 5.747 13.954 ( -0.387 -2.148 0.852) 2.343 13.971 ( 1.371 1.119 1.141) 2.106 14.055 ( 4.934 -2.824 4.507) 7.255 14.184 ( 1.558 1.993 1.284) 2.837 14.796 ( -2.220 -10.731 4.061) 11.687 16.176 ( -0.268 -9.485 0.054) 9.488 16.387 ( -0.647 -2.930 0.118) 3.003 22.570 ( -0.150 -0.332 0.154) 0.395 22.578 ( 0.171 -0.377 -0.077) 0.421 24.203 ( -0.161 1.622 0.211) 1.644 24.479 ( 1.735 11.166 -5.788) 12.696 24.811 ( 4.424 2.681 0.707) 5.221 24.880 ( -17.811 4.115 -3.744) 18.659 25.544 ( 11.434 -14.711 8.295) 20.395 25.748 ( 1.019 -4.407 0.175) 4.526 110.420 ( 0.000 0.180 -0.004) 0.180 110.436 ( 0.000 0.552 -0.057) 0.555 ======================= Grid point 87 (37/78) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 0.997 -0.000 -1.104) 1.488 1.218 ( 5.733 -0.000 5.417) 7.888 1.318 ( 9.450 -0.000 3.997) 10.261 1.488 ( 5.171 -0.000 0.787) 5.231 1.525 ( 2.888 -0.000 -1.885) 3.449 1.687 ( 9.091 -0.000 -8.265) 12.287 1.886 ( 1.199 -0.000 -3.921) 4.100 1.946 ( 0.041 -0.000 -0.878) 0.879 2.012 ( -6.452 0.000 5.181) 8.275 2.053 ( -2.118 0.000 -0.568) 2.192 2.106 ( 1.518 -0.000 -6.133) 6.318 2.180 ( 5.836 -0.000 1.735) 6.088 2.218 ( -1.638 0.000 5.057) 5.315 2.222 ( -9.994 0.000 2.961) 10.423 2.344 ( -5.801 0.000 1.962) 6.124 2.346 ( -1.831 0.000 -1.597) 2.430 2.477 ( 4.068 -0.000 4.528) 6.087 2.570 ( 11.813 -0.000 -3.965) 12.461 2.587 ( -3.495 0.000 -2.473) 4.281 2.736 ( 0.213 -0.000 -3.181) 3.188 2.944 ( 3.383 -0.000 5.925) 6.823 2.953 ( 0.429 -0.000 -2.920) 2.952 3.007 ( 2.847 -0.000 1.183) 3.084 3.137 ( -2.421 0.000 2.214) 3.281 3.231 ( -0.637 0.000 -0.279) 0.695 3.276 ( 0.482 -0.000 2.456) 2.503 3.287 ( 2.824 -0.000 -3.266) 4.318 3.338 ( -2.844 0.000 -2.918) 4.075 3.585 ( 2.003 -0.000 -2.171) 2.954 3.598 ( 1.981 -0.000 0.056) 1.981 3.834 ( -1.175 0.000 3.740) 3.921 4.083 ( -4.093 0.000 -0.856) 4.182 4.189 ( 3.284 -0.000 -3.317) 4.667 4.350 ( -1.464 0.000 3.189) 3.509 4.375 ( 0.366 -0.000 -0.515) 0.632 4.535 ( 1.687 -0.000 2.253) 2.814 4.702 ( 1.096 -0.000 -3.317) 3.494 4.871 ( -3.364 0.000 0.101) 3.365 5.024 ( 1.647 -0.000 -1.436) 2.185 5.110 ( -4.279 0.000 6.963) 8.172 5.179 ( -1.034 0.000 -6.408) 6.491 5.202 ( 0.378 -0.000 1.579) 1.623 5.564 ( 2.480 -0.000 -0.992) 2.671 5.617 ( 0.354 -0.000 -3.563) 3.580 6.127 ( -6.195 0.000 10.331) 12.046 6.284 ( -10.386 0.000 -1.737) 10.531 6.400 ( 3.195 -0.000 0.401) 3.220 6.979 ( 0.419 -0.000 -2.844) 2.875 9.930 ( 0.291 -0.000 -4.025) 4.036 10.058 ( -0.493 0.000 2.323) 2.375 10.263 ( -2.444 0.000 -3.293) 4.101 10.472 ( -2.364 0.000 2.571) 3.493 13.315 ( -2.044 0.000 -0.518) 2.109 13.558 ( -0.682 0.000 1.032) 1.237 13.723 ( -0.800 0.000 -2.840) 2.950 13.786 ( 4.282 -0.000 2.530) 4.974 13.905 ( 0.916 -0.000 2.239) 2.419 14.191 ( -1.027 0.000 -7.669) 7.738 14.287 ( 6.363 -0.000 -1.483) 6.533 14.471 ( -8.118 0.000 8.516) 11.765 16.191 ( -7.929 0.000 0.028) 7.929 16.485 ( -5.524 0.000 -0.159) 5.526 22.578 ( -0.293 0.000 -0.160) 0.334 22.615 ( 0.154 -0.000 0.189) 0.243 24.226 ( 0.911 -0.000 0.141) 0.922 24.661 ( -0.299 0.000 4.683) 4.693 24.726 ( 12.834 -0.000 -0.188) 12.835 25.129 ( -2.995 0.000 -7.911) 8.459 25.436 ( -2.798 0.000 6.634) 7.200 25.604 ( -8.207 0.000 -3.768) 9.030 110.431 ( 0.122 -0.000 -0.000) 0.122 110.444 ( 0.547 -0.000 -0.000) 0.547 ======================= Grid point 88 (38/78) ======================= q-point: ( 0.38 0.25 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( -1.841 -3.116 4.053) 5.434 1.306 ( 4.481 3.010 2.142) 5.807 1.470 ( 6.392 -0.036 -0.676) 6.427 1.509 ( -1.795 1.713 2.008) 3.192 1.565 ( 0.556 -1.518 5.095) 5.345 1.799 ( -9.031 6.223 -2.673) 11.289 1.822 ( 7.957 1.994 -7.588) 11.174 1.859 ( -3.526 5.247 -1.604) 6.522 1.896 ( -4.648 -1.597 -3.961) 6.312 1.978 ( -5.076 -3.037 0.693) 5.956 2.068 ( -5.437 -5.033 -5.098) 8.994 2.142 ( 1.234 2.445 2.008) 3.396 2.195 ( -3.409 -0.898 6.623) 7.502 2.264 ( -2.294 0.747 2.606) 3.551 2.332 ( -0.309 -3.287 3.121) 4.543 2.370 ( 7.832 -0.528 -0.749) 7.885 2.531 ( 0.691 1.911 0.518) 2.097 2.565 ( 1.658 -1.389 -0.060) 2.164 2.692 ( 1.854 0.119 -1.234) 2.231 2.770 ( 5.784 2.627 -0.227) 6.356 2.926 ( -0.670 -0.926 -1.295) 1.727 2.971 ( -1.304 -0.436 0.040) 1.376 3.060 ( -1.887 0.053 -0.347) 1.920 3.070 ( -2.031 -0.404 1.489) 2.551 3.182 ( -2.228 1.130 -2.321) 3.410 3.216 ( -4.149 -0.080 -2.827) 5.021 3.330 ( 4.489 2.747 1.953) 5.614 3.375 ( 5.074 -0.901 -2.732) 5.833 3.574 ( 0.748 3.197 -1.836) 3.762 3.700 ( 4.687 -0.808 2.767) 5.502 3.845 ( -1.944 -2.401 4.077) 5.116 4.023 ( -2.202 -0.629 -2.637) 3.493 4.206 ( 1.188 -0.302 -5.595) 5.727 4.347 ( -1.389 -0.071 2.913) 3.228 4.355 ( -0.989 -0.725 1.717) 2.109 4.617 ( 5.288 0.462 1.242) 5.452 4.712 ( 0.969 -1.034 -1.317) 1.934 4.813 ( -4.489 -1.928 0.100) 4.886 5.025 ( -1.316 0.835 0.758) 1.733 5.062 ( -3.688 -1.527 3.812) 5.519 5.101 ( -3.695 1.398 -5.900) 7.101 5.204 ( -3.217 -3.626 -0.233) 4.853 5.603 ( 1.526 0.959 -2.960) 3.465 5.664 ( 7.480 0.030 0.067) 7.481 6.043 ( -10.183 0.755 9.083) 13.666 6.152 ( -0.603 -0.893 -3.292) 3.463 6.471 ( 4.244 -0.514 0.107) 4.277 6.954 ( -1.288 2.307 -0.312) 2.660 9.892 ( -1.620 0.860 -3.500) 3.952 10.048 ( -1.476 0.729 2.063) 2.639 10.191 ( -4.119 -1.535 -4.872) 6.562 10.474 ( -0.964 -1.659 4.213) 4.630 13.278 ( -2.064 -0.383 -0.575) 2.176 13.554 ( -0.532 0.016 1.315) 1.419 13.714 ( 2.083 1.377 -1.843) 3.104 13.882 ( 4.754 -0.476 1.703) 5.072 13.950 ( 2.783 0.034 3.139) 4.195 14.129 ( -1.985 -0.166 -7.367) 7.631 14.358 ( -3.530 2.566 5.794) 7.254 14.399 ( 2.390 -1.512 -0.392) 2.855 16.035 ( -10.937 -1.835 0.045) 11.090 16.373 ( -7.415 -0.785 -0.080) 7.457 22.570 ( -0.492 -0.045 -0.229) 0.545 22.613 ( -0.408 0.252 0.242) 0.537 24.249 ( 0.607 -1.045 0.242) 1.232 24.679 ( -0.146 0.144 4.898) 4.902 24.913 ( 11.426 5.090 -0.382) 12.514 25.051 ( -2.001 -1.206 -7.411) 7.770 25.406 ( -5.153 -4.145 1.378) 6.755 25.459 ( -7.194 0.730 1.009) 7.301 110.432 ( 0.144 0.081 -0.000) 0.166 110.453 ( 0.431 0.053 -0.001) 0.435 ======================= Grid point 89 (39/78) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -4.829 -1.139 8.125) 9.520 1.308 ( -0.830 7.923 0.037) 7.967 1.389 ( -9.107 1.357 0.760) 9.239 1.508 ( 0.624 5.428 -0.320) 5.473 1.551 ( -3.980 3.190 -1.287) 5.260 1.640 ( -1.550 -1.415 5.132) 5.544 1.697 ( -1.782 3.006 -1.208) 3.697 1.799 ( -3.067 1.521 0.403) 3.447 1.876 ( -2.203 -1.702 -2.701) 3.879 2.004 ( 0.667 -0.676 -0.110) 0.956 2.017 ( -2.525 -2.317 -2.059) 3.998 2.142 ( -1.220 -0.840 -3.148) 3.479 2.170 ( 3.390 3.019 -2.558) 5.210 2.272 ( -1.611 -0.288 3.032) 3.445 2.342 ( -2.451 -0.941 2.416) 3.568 2.509 ( 5.166 -0.260 3.224) 6.096 2.538 ( 2.974 3.370 1.372) 4.699 2.585 ( 1.882 -2.029 -3.436) 4.412 2.697 ( 0.139 1.054 0.782) 1.320 2.762 ( -1.367 2.041 3.243) 4.068 2.933 ( -4.517 1.339 -3.324) 5.766 2.942 ( -3.528 -3.070 -2.769) 5.435 2.985 ( 1.667 -1.552 1.660) 2.818 3.110 ( 1.290 -0.844 -0.152) 1.549 3.139 ( -0.769 0.009 -1.019) 1.277 3.179 ( 0.578 0.566 -0.210) 0.836 3.363 ( 1.848 3.233 3.964) 5.439 3.439 ( 2.227 1.593 -2.356) 3.612 3.538 ( 0.968 3.731 -1.430) 4.111 3.710 ( -2.083 2.168 -1.587) 3.399 3.862 ( -0.700 -2.310 2.389) 3.396 4.007 ( 0.600 -0.796 -3.050) 3.209 4.200 ( 0.725 -1.240 -4.333) 4.565 4.323 ( -2.221 -1.529 1.717) 3.197 4.415 ( 2.664 -0.889 3.662) 4.615 4.655 ( 1.200 0.851 -2.972) 3.316 4.725 ( -3.644 -2.043 1.657) 4.494 4.791 ( -0.487 -2.030 -0.570) 2.164 4.978 ( -5.243 0.324 -5.057) 7.292 4.991 ( -2.633 0.026 3.526) 4.400 5.052 ( -1.883 -1.885 0.371) 2.690 5.199 ( -2.191 -5.514 -2.341) 6.378 5.598 ( 0.459 0.304 -2.564) 2.622 5.761 ( 3.704 2.633 -0.214) 4.550 5.993 ( -1.005 -5.792 7.422) 9.468 6.204 ( 5.664 -0.063 0.049) 5.664 6.541 ( 4.033 0.882 -1.529) 4.403 6.880 ( -3.768 2.530 0.636) 4.583 9.832 ( -2.763 0.387 -2.135) 3.514 10.016 ( -1.305 1.847 0.983) 2.466 10.130 ( -3.747 -3.150 -2.577) 5.532 10.505 ( -0.782 -2.907 2.240) 3.752 13.253 ( -1.584 -1.116 -0.215) 1.949 13.551 ( -0.870 0.044 2.404) 2.557 13.744 ( 4.103 1.568 -0.537) 4.425 13.954 ( 4.299 2.196 -0.068) 4.828 14.021 ( 2.136 -0.388 3.231) 3.893 14.060 ( -1.815 -0.237 -5.988) 6.262 14.267 ( -4.741 2.265 5.274) 7.444 14.492 ( 4.630 -2.397 -1.840) 5.530 15.894 ( -10.292 -5.918 0.064) 11.872 16.275 ( -6.484 -3.300 0.007) 7.276 22.562 ( -0.532 -0.170 -0.191) 0.590 22.600 ( -0.790 0.322 0.211) 0.879 24.264 ( -0.041 -0.403 0.316) 0.514 24.700 ( 0.221 1.035 5.078) 5.187 24.928 ( -0.266 2.268 -7.015) 7.378 25.051 ( 4.539 4.354 0.725) 6.331 25.346 ( -7.551 -1.346 2.076) 7.946 25.422 ( -0.147 -6.591 -1.304) 6.720 110.433 ( 0.094 0.211 -0.000) 0.231 110.457 ( 0.253 0.256 -0.003) 0.360 ======================= Grid point 90 (40/78) ======================= q-point: (-0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -5.145 7.803 7.660) 12.084 1.022 ( -11.463 10.178 2.415) 15.519 1.347 ( 1.251 3.063 -1.328) 3.565 1.432 ( 2.260 8.353 -2.831) 9.105 1.502 ( -3.446 -0.701 0.731) 3.592 1.605 ( -3.154 -2.791 2.618) 4.960 1.681 ( -1.979 3.008 6.337) 7.288 1.760 ( -2.419 -1.092 1.855) 3.238 1.885 ( 1.114 4.540 5.269) 7.044 1.940 ( 0.555 3.265 -1.618) 3.686 1.997 ( -4.435 0.555 -1.426) 4.691 2.111 ( -0.870 0.285 -4.485) 4.578 2.144 ( -2.883 5.708 -2.385) 6.825 2.210 ( 4.441 0.402 -4.292) 6.189 2.378 ( -1.595 -5.083 4.303) 6.849 2.552 ( 3.256 3.782 2.580) 5.618 2.572 ( 1.406 -0.560 0.215) 1.529 2.666 ( 0.902 0.982 -0.665) 1.491 2.691 ( 1.004 -3.951 -1.009) 4.199 2.750 ( -0.344 -0.862 1.916) 2.129 2.869 ( 1.120 -0.888 -3.967) 4.217 2.928 ( -1.210 -3.509 -1.633) 4.054 3.017 ( -1.263 -1.310 4.423) 4.783 3.116 ( -0.173 0.901 -2.098) 2.290 3.131 ( -1.347 0.284 -0.965) 1.681 3.171 ( 1.136 2.387 -1.902) 3.256 3.365 ( -0.217 2.830 4.034) 4.932 3.373 ( -3.238 3.877 -3.748) 6.290 3.493 ( -0.028 2.284 -1.607) 2.792 3.647 ( -1.219 3.917 5.247) 6.660 3.908 ( 2.135 -2.350 -2.861) 4.273 4.009 ( 1.571 0.627 -3.609) 3.986 4.230 ( 1.466 -2.428 -0.144) 2.840 4.328 ( -0.423 -1.895 1.504) 2.456 4.471 ( 2.099 0.020 1.690) 2.695 4.620 ( -2.978 0.449 -2.493) 3.910 4.679 ( -5.108 -2.913 1.158) 5.993 4.795 ( 0.055 -1.428 -1.198) 1.865 4.894 ( -2.099 0.104 -2.779) 3.484 4.986 ( -0.782 -1.407 2.872) 3.292 5.032 ( -4.265 -2.817 0.321) 5.121 5.227 ( -0.310 -5.298 -7.972) 9.577 5.602 ( 1.960 0.071 0.290) 1.982 5.763 ( -0.013 -0.945 -2.922) 3.071 6.159 ( 2.441 -8.279 10.614) 13.681 6.316 ( 8.509 2.570 1.249) 8.976 6.540 ( 0.443 4.735 -2.631) 5.435 6.806 ( -3.722 -1.564 -0.655) 4.090 9.776 ( -2.417 -0.134 -1.319) 2.756 9.976 ( -0.410 2.724 0.111) 2.757 10.126 ( -0.807 -3.922 1.422) 4.249 10.531 ( -1.370 -3.950 -0.840) 4.264 13.252 ( -0.721 -1.962 0.283) 2.109 13.552 ( -0.664 -0.077 3.848) 3.906 13.806 ( 4.360 0.084 0.020) 4.361 13.946 ( -1.874 2.439 -2.198) 3.780 14.022 ( 1.640 1.186 -2.023) 2.862 14.054 ( -0.059 2.051 4.066) 4.554 14.227 ( -0.470 0.251 1.233) 1.344 14.580 ( 2.628 -3.388 -1.386) 4.506 15.845 ( -6.170 -9.978 0.075) 11.732 16.241 ( -3.621 -5.538 0.073) 6.617 22.556 ( -0.319 -0.350 -0.102) 0.485 22.584 ( -0.688 0.249 0.128) 0.743 24.260 ( -0.396 0.747 0.358) 0.918 24.697 ( -0.858 3.111 3.501) 4.761 24.866 ( -0.148 0.583 -5.705) 5.737 25.101 ( 5.195 2.425 4.648) 7.380 25.226 ( -8.073 -0.791 -2.352) 8.446 25.521 ( 2.013 -6.740 -0.344) 7.042 110.431 ( 0.016 0.336 -0.000) 0.336 110.455 ( 0.099 0.466 -0.010) 0.476 ======================= Grid point 91 (41/78) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 2.278 10.596 7.958) 13.445 0.875 ( -0.752 11.611 8.862) 14.626 1.277 ( -0.648 6.173 -7.829) 9.990 1.359 ( 1.447 6.989 -4.581) 8.481 1.460 ( -1.871 1.350 1.636) 2.829 1.618 ( 0.821 6.367 9.669) 11.606 1.637 ( -1.269 2.545 5.834) 6.491 1.744 ( -0.098 1.564 -3.878) 4.183 1.765 ( -2.603 5.706 9.051) 11.012 1.884 ( 0.686 3.677 -1.074) 3.891 1.995 ( -0.365 5.414 -0.215) 5.431 2.062 ( 1.843 -5.471 -1.014) 5.861 2.133 ( 0.876 -1.563 -5.065) 5.373 2.255 ( 2.977 0.521 -2.456) 3.894 2.403 ( -1.442 -0.852 0.716) 1.821 2.559 ( -0.981 3.520 3.790) 5.264 2.587 ( -1.459 -3.494 -1.227) 3.980 2.651 ( 1.758 1.079 1.076) 2.326 2.743 ( -0.126 -3.419 -2.965) 4.527 2.780 ( 2.771 0.369 -2.735) 3.910 2.903 ( 1.609 0.933 -4.906) 5.246 2.947 ( 0.019 -1.841 -1.603) 2.441 3.013 ( -4.026 -2.114 2.020) 4.976 3.069 ( -0.506 1.245 -0.338) 1.386 3.084 ( -0.007 1.049 -0.338) 1.102 3.187 ( 1.190 -1.458 0.623) 1.982 3.250 ( -1.445 4.384 -2.957) 5.482 3.355 ( -2.107 0.625 5.803) 6.205 3.474 ( 1.617 1.307 -2.795) 3.483 3.640 ( 1.378 3.199 7.603) 8.363 3.920 ( 0.086 -0.152 -5.984) 5.986 4.021 ( 1.839 -0.019 -1.230) 2.213 4.283 ( 0.506 -2.159 1.560) 2.711 4.366 ( 0.695 -2.280 1.161) 2.651 4.507 ( 0.503 1.828 -0.958) 2.124 4.563 ( -1.266 -2.403 -0.411) 2.747 4.637 ( -2.019 -1.294 -0.370) 2.426 4.824 ( -1.233 -3.443 -0.259) 3.666 4.883 ( 2.156 -0.655 -0.515) 2.311 4.970 ( -3.139 -0.558 -0.465) 3.222 5.025 ( -0.315 -3.798 0.320) 3.824 5.188 ( -2.425 0.451 -8.170) 8.535 5.676 ( 2.919 -1.415 2.971) 4.399 5.767 ( 0.885 -3.590 -6.598) 7.563 6.290 ( -1.301 -3.585 7.744) 8.633 6.392 ( -4.487 1.060 2.822) 5.406 6.494 ( 7.225 5.131 3.437) 9.505 6.784 ( -1.875 -5.542 -4.276) 7.247 9.747 ( -0.337 -0.445 -1.356) 1.467 9.949 ( 1.165 2.665 -0.057) 2.909 10.212 ( 3.353 -3.959 4.290) 6.732 10.541 ( -1.811 -4.452 -3.021) 5.677 13.275 ( 0.056 -2.507 0.673) 2.596 13.575 ( 0.344 -0.782 4.771) 4.847 13.842 ( -5.786 1.136 0.018) 5.897 13.880 ( 2.283 -1.441 -1.339) 3.013 14.024 ( 0.738 2.541 1.556) 3.070 14.058 ( 2.416 1.964 2.973) 4.305 14.217 ( -1.449 0.152 -0.914) 1.720 14.640 ( -0.258 -4.265 -0.828) 4.352 15.919 ( -0.140 -11.726 0.079) 11.727 16.278 ( -0.117 -5.914 0.100) 5.916 22.559 ( 0.067 -0.495 0.008) 0.500 22.575 ( -0.063 0.113 0.015) 0.130 24.243 ( -0.081 1.531 0.352) 1.573 24.638 ( -1.764 3.704 0.319) 4.115 24.877 ( 5.196 2.291 -0.231) 5.683 24.993 ( -10.270 5.462 -4.201) 12.368 25.289 ( 6.352 -7.348 3.943) 10.483 25.621 ( 0.943 -6.231 0.105) 6.303 110.426 ( 0.000 0.367 -0.001) 0.367 110.450 ( 0.000 0.583 -0.024) 0.584 ======================= Grid point 92 (42/78) ======================= q-point: (-0.12 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 4.282 8.775 10.142) 14.079 0.876 ( 7.940 13.502 7.979) 17.578 1.176 ( 3.588 5.500 -8.465) 10.714 1.282 ( 3.822 5.380 -9.802) 11.816 1.394 ( -0.881 5.878 6.019) 8.459 1.618 ( 1.639 4.503 3.718) 6.065 1.680 ( 10.627 6.683 11.158) 16.795 1.747 ( 5.002 2.458 -2.809) 6.241 1.783 ( -0.656 -2.689 6.384) 6.959 1.891 ( 2.328 -0.263 -0.615) 2.423 1.942 ( 0.980 3.775 2.395) 4.577 2.119 ( 0.862 -0.897 -4.919) 5.074 2.154 ( 0.184 -4.585 -3.179) 5.583 2.272 ( 2.489 2.076 -0.743) 3.325 2.346 ( -0.977 5.004 -4.558) 6.839 2.492 ( -3.445 1.250 0.817) 3.755 2.579 ( -2.055 0.117 -3.612) 4.157 2.655 ( -2.070 1.020 -0.471) 2.355 2.732 ( 0.742 0.767 -3.808) 3.955 2.837 ( 3.657 -3.994 2.936) 6.161 2.894 ( 0.178 2.154 -2.328) 3.177 2.931 ( -3.421 -1.566 -3.269) 4.984 2.967 ( -1.833 -0.608 3.529) 4.023 3.064 ( -1.377 1.602 0.456) 2.161 3.099 ( 2.249 -0.235 2.831) 3.623 3.165 ( -2.051 0.662 -1.117) 2.428 3.274 ( 4.753 -1.542 -1.171) 5.132 3.366 ( -0.231 -1.217 4.348) 4.521 3.469 ( 0.102 1.061 -2.676) 2.881 3.688 ( 3.153 1.384 6.215) 7.105 3.876 ( -1.148 0.569 -5.272) 5.425 4.060 ( 2.818 -0.463 0.319) 2.873 4.307 ( -0.860 -1.594 1.300) 2.229 4.388 ( -1.775 -0.403 1.757) 2.529 4.426 ( -5.573 0.283 0.127) 5.582 4.586 ( 0.176 -1.183 -3.803) 3.987 4.658 ( 1.241 -0.168 0.443) 1.329 4.848 ( 2.006 -1.833 0.097) 2.719 4.886 ( 0.681 -1.340 -2.722) 3.110 5.026 ( -1.597 0.759 -2.313) 2.911 5.044 ( 6.311 -0.537 2.465) 6.797 5.139 ( 1.950 -0.835 0.003) 2.121 5.696 ( -2.290 -2.129 -0.951) 3.268 5.793 ( -1.003 -1.679 -5.784) 6.106 6.263 ( -7.957 0.070 3.809) 8.822 6.308 ( 0.081 1.797 1.781) 2.531 6.583 ( 0.840 0.811 8.059) 8.143 6.855 ( 1.832 -10.513 -5.467) 11.990 9.769 ( 2.682 -1.259 -1.590) 3.363 9.958 ( 2.761 1.572 0.248) 3.186 10.315 ( 1.528 -1.643 1.235) 2.561 10.558 ( -0.264 -3.968 -1.922) 4.417 13.313 ( 0.306 -2.434 0.974) 2.639 13.627 ( 1.753 -1.170 3.397) 3.998 13.715 ( -6.719 1.874 2.367) 7.366 13.918 ( -1.556 -1.687 0.099) 2.297 13.995 ( 0.086 0.367 -0.278) 0.468 14.115 ( 0.875 2.449 0.178) 2.607 14.174 ( -1.089 -2.153 1.365) 2.771 14.656 ( -4.367 -5.075 0.857) 6.750 16.092 ( 4.121 -10.637 -0.034) 11.407 16.366 ( 2.960 -4.927 0.049) 5.748 22.568 ( 0.298 -0.382 0.137) 0.504 22.580 ( 0.567 -0.173 -0.112) 0.603 24.235 ( 1.386 1.354 0.256) 1.954 24.563 ( -0.774 6.704 -2.440) 7.177 24.716 ( -8.593 6.498 0.316) 10.778 24.996 ( 10.594 3.516 3.439) 11.680 25.462 ( -2.353 -10.645 -1.122) 10.959 25.724 ( 2.450 -7.809 -0.677) 8.212 110.423 ( 0.093 0.251 -0.002) 0.268 110.442 ( -0.020 0.592 -0.023) 0.593 ======================= Grid point 96 (43/78) ======================= q-point: ( 0.38 -0.62 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -2.997 0.000 9.085) 9.567 1.399 ( -5.593 0.000 3.671) 6.690 1.440 ( 1.094 -0.000 -2.362) 2.602 1.506 ( -2.020 0.000 2.197) 2.985 1.618 ( 1.635 -0.000 -1.731) 2.382 1.686 ( -5.063 0.000 2.775) 5.773 1.743 ( -6.946 0.000 2.630) 7.427 1.860 ( -6.242 0.000 -6.153) 8.765 1.860 ( -4.760 0.000 -3.047) 5.651 1.885 ( -0.673 0.000 -0.850) 1.084 1.971 ( 7.300 -0.000 -2.583) 7.744 2.189 ( -0.776 0.000 3.577) 3.660 2.214 ( 3.146 -0.000 -2.689) 4.139 2.255 ( -1.597 0.000 3.030) 3.425 2.294 ( -0.535 0.000 -0.629) 0.826 2.497 ( 6.524 -0.000 0.380) 6.535 2.571 ( 0.797 -0.000 -1.440) 1.646 2.588 ( 2.856 -0.000 0.101) 2.857 2.709 ( 0.009 -0.000 1.741) 1.741 2.831 ( -7.643 0.000 3.891) 8.577 2.877 ( -1.631 0.000 1.466) 2.193 2.946 ( 3.201 -0.000 0.058) 3.202 2.966 ( -4.363 0.000 -4.545) 6.300 3.094 ( 1.900 -0.000 -0.546) 1.976 3.129 ( -4.420 0.000 0.259) 4.427 3.189 ( 2.933 -0.000 -0.101) 2.935 3.401 ( 1.461 -0.000 1.019) 1.781 3.468 ( 4.983 -0.000 -1.803) 5.299 3.597 ( 0.307 -0.000 -1.225) 1.263 3.739 ( -0.501 0.000 -0.878) 1.011 3.827 ( -1.097 0.000 4.650) 4.778 3.993 ( 2.270 -0.000 -3.585) 4.243 4.183 ( -0.024 0.000 -6.662) 6.662 4.303 ( -2.529 0.000 1.528) 2.955 4.398 ( 2.549 -0.000 4.167) 4.885 4.685 ( -3.119 0.000 1.599) 3.505 4.699 ( -0.391 0.000 -1.067) 1.137 4.744 ( 2.204 -0.000 -3.384) 4.039 4.978 ( -8.814 0.000 0.647) 8.838 4.989 ( -3.738 0.000 -0.450) 3.765 5.025 ( -0.827 0.000 0.032) 0.828 5.138 ( -0.906 0.000 -3.037) 3.169 5.603 ( 0.201 -0.000 -2.178) 2.187 5.826 ( 9.027 -0.000 2.763) 9.441 5.887 ( -9.255 0.000 2.307) 9.539 6.210 ( 7.031 -0.000 1.306) 7.151 6.550 ( 4.883 -0.000 -0.675) 4.929 6.916 ( -5.084 0.000 0.623) 5.122 9.839 ( -3.163 0.000 -2.118) 3.807 10.039 ( -0.940 0.000 0.952) 1.338 10.088 ( -3.891 0.000 -2.624) 4.693 10.467 ( -1.172 0.000 2.751) 2.991 13.240 ( -1.790 0.000 -0.262) 1.809 13.551 ( -0.768 0.000 2.088) 2.225 13.768 ( 4.223 -0.000 -3.246) 5.327 13.969 ( 4.054 -0.000 3.606) 5.425 14.021 ( 3.608 -0.000 1.302) 3.836 14.061 ( -1.495 0.000 -5.629) 5.824 14.295 ( -6.614 0.000 5.978) 8.915 14.462 ( 4.674 -0.000 -2.383) 5.247 15.823 ( -11.774 0.000 0.054) 11.774 16.235 ( -7.518 0.000 -0.046) 7.518 22.560 ( -0.559 0.000 -0.231) 0.605 22.604 ( -0.866 0.000 0.261) 0.905 24.259 ( 0.789 -0.000 0.350) 0.863 24.709 ( 0.391 -0.000 5.587) 5.601 24.946 ( -3.824 0.000 -7.408) 8.336 25.151 ( 11.124 -0.000 -0.766) 11.150 25.274 ( -6.654 0.000 0.267) 6.660 25.364 ( -5.011 0.000 1.901) 5.360 110.436 ( 0.150 -0.000 -0.000) 0.150 110.460 ( 0.330 -0.000 -0.002) 0.330 ======================= Grid point 98 (44/78) ======================= q-point: (-0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -5.377 -0.566 9.756) 11.154 1.236 ( -6.774 5.057 3.851) 9.289 1.420 ( -1.473 2.859 2.786) 4.255 1.511 ( -1.151 0.548 -0.445) 1.350 1.556 ( -1.877 1.492 1.043) 2.615 1.631 ( 0.105 6.715 0.349) 6.725 1.707 ( -3.734 0.071 1.365) 3.976 1.770 ( -1.820 -2.856 0.796) 3.479 1.811 ( 1.510 -1.810 -0.011) 2.357 1.928 ( 1.555 -4.482 -3.919) 6.153 2.055 ( 2.201 1.127 4.788) 5.389 2.143 ( -0.632 4.744 -4.273) 6.415 2.236 ( 2.728 0.217 -5.475) 6.121 2.261 ( 0.631 -0.561 -0.044) 0.845 2.281 ( -3.028 -0.085 -0.288) 3.043 2.550 ( 1.086 -3.246 -4.076) 5.323 2.575 ( -1.742 1.720 1.547) 2.896 2.645 ( 3.799 -1.515 3.500) 5.383 2.696 ( -1.565 0.135 0.996) 1.860 2.741 ( -2.598 1.566 2.357) 3.842 2.872 ( -0.077 -0.463 1.863) 1.921 2.890 ( -0.974 1.149 -2.776) 3.158 2.988 ( -1.007 -0.854 4.092) 4.300 3.089 ( -2.235 -2.013 2.474) 3.894 3.118 ( 1.604 -0.416 -3.904) 4.241 3.243 ( 3.254 2.150 -0.640) 3.952 3.407 ( -0.310 1.152 -0.315) 1.234 3.475 ( -0.221 2.527 -1.378) 2.887 3.540 ( -4.646 1.729 -2.131) 5.396 3.735 ( 2.325 3.370 1.244) 4.279 3.853 ( 0.720 -2.266 2.686) 3.587 4.037 ( 4.232 1.959 -4.088) 6.202 4.168 ( 0.790 -2.712 -3.635) 4.603 4.292 ( -0.630 -0.944 2.339) 2.599 4.452 ( 0.525 -1.168 2.513) 2.820 4.615 ( -4.989 -0.915 0.254) 5.079 4.659 ( -1.287 1.956 -1.048) 2.566 4.779 ( 0.601 -1.540 -4.668) 4.952 4.854 ( -4.856 -2.684 -3.441) 6.529 4.943 ( -2.894 -0.654 2.500) 3.880 5.004 ( -2.252 -0.220 1.646) 2.798 5.139 ( 2.192 -1.900 -6.292) 6.928 5.603 ( 1.194 0.011 -0.735) 1.403 5.762 ( -4.859 0.536 0.388) 4.904 6.004 ( 5.202 -4.133 6.497) 9.292 6.366 ( 10.463 1.354 1.153) 10.613 6.604 ( 2.595 0.882 -2.793) 3.913 6.800 ( -7.976 0.529 0.938) 8.049 9.779 ( -2.511 0.229 -1.022) 2.720 10.025 ( -0.195 1.208 -0.022) 1.223 10.054 ( -0.746 -1.847 1.587) 2.547 10.456 ( -2.141 -1.937 -0.536) 2.936 13.220 ( -0.934 -0.709 0.187) 1.187 13.551 ( -0.686 -0.024 3.007) 3.084 13.814 ( 3.654 0.395 -4.453) 5.774 14.000 ( -0.956 1.696 -3.254) 3.792 14.041 ( 2.342 0.305 1.518) 2.807 14.090 ( 2.307 0.754 2.903) 3.784 14.222 ( -4.293 -0.197 3.966) 5.848 14.522 ( 2.782 -1.471 -2.357) 3.932 15.676 ( -7.448 -3.978 0.033) 8.444 16.144 ( -4.439 -2.368 0.035) 5.031 22.551 ( -0.333 -0.101 -0.208) 0.405 22.590 ( -0.779 0.166 0.250) 0.835 24.270 ( 0.344 0.207 0.427) 0.586 24.734 ( -1.580 0.508 5.644) 5.883 24.863 ( -0.649 -0.302 -6.003) 6.045 25.167 ( -1.470 2.306 0.737) 2.833 25.255 ( -1.140 3.109 -0.425) 3.338 25.369 ( 2.330 -6.163 -0.238) 6.593 110.437 ( 0.083 0.157 -0.000) 0.177 110.463 ( 0.160 0.171 -0.003) 0.235 ======================= Grid point 99 (45/78) ======================= q-point: (-0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -0.768 3.543 5.318) 6.436 1.145 ( 1.804 10.016 8.341) 13.158 1.392 ( -0.253 4.161 -1.966) 4.609 1.470 ( 0.095 0.660 0.793) 1.036 1.484 ( -3.405 2.465 2.107) 4.702 1.613 ( -0.625 1.409 2.705) 3.113 1.678 ( 1.358 -0.491 3.407) 3.700 1.770 ( 0.042 2.401 2.337) 3.351 1.893 ( -1.085 -4.578 -0.991) 4.808 1.981 ( 3.997 0.471 -4.386) 5.953 2.023 ( 0.151 4.649 0.028) 4.652 2.100 ( 1.043 2.894 4.341) 5.321 2.161 ( -2.668 6.348 -3.723) 7.828 2.256 ( 3.199 0.166 -5.648) 6.493 2.315 ( 0.137 -4.636 3.017) 5.533 2.534 ( -1.855 -1.856 -2.077) 3.347 2.624 ( 1.394 -5.662 -1.582) 6.042 2.658 ( -1.592 2.926 1.437) 3.628 2.704 ( -1.277 2.137 1.132) 2.735 2.742 ( 1.122 -3.584 4.079) 5.544 2.867 ( 2.337 0.426 -2.756) 3.638 2.905 ( 0.884 -0.649 1.026) 1.502 3.014 ( 0.708 -0.997 4.743) 4.898 3.092 ( -1.609 -0.723 -1.077) 2.067 3.107 ( -0.083 0.344 -4.589) 4.603 3.204 ( -0.864 4.697 -1.269) 4.941 3.371 ( -0.495 2.854 0.177) 2.902 3.402 ( -1.756 4.647 0.790) 5.030 3.487 ( -0.034 -0.772 -3.036) 3.132 3.722 ( 0.583 4.330 4.534) 6.296 3.896 ( -0.614 -1.919 0.072) 2.017 4.037 ( 2.760 2.052 -6.695) 7.526 4.230 ( 1.805 -2.742 2.139) 3.918 4.322 ( 1.036 -1.370 1.761) 2.460 4.477 ( -2.040 -3.817 1.475) 4.572 4.546 ( -2.109 0.821 -1.346) 2.633 4.626 ( -0.268 0.463 -0.071) 0.540 4.762 ( -1.135 -1.643 -3.001) 3.605 4.834 ( -2.034 -4.819 -5.359) 7.488 4.940 ( 1.285 -0.198 1.512) 1.994 4.985 ( -0.841 -0.456 1.692) 1.943 5.167 ( 1.760 -1.548 -6.952) 7.337 5.650 ( 3.207 -0.945 1.429) 3.636 5.703 ( -2.342 -1.648 -2.309) 3.679 6.149 ( -0.152 -5.897 9.240) 10.962 6.459 ( -0.205 3.755 0.190) 3.765 6.623 ( 6.042 3.868 0.379) 7.184 6.679 ( -6.083 -3.257 -3.105) 7.566 9.747 ( -0.394 0.269 -0.758) 0.896 10.008 ( 0.773 2.095 -0.363) 2.262 10.124 ( 3.494 -3.146 4.809) 6.726 10.438 ( -2.586 -3.825 -3.300) 5.675 13.228 ( 0.115 -1.482 0.355) 1.529 13.563 ( -0.180 -0.354 4.085) 4.104 13.833 ( 1.420 -0.348 -5.700) 5.885 13.927 ( -3.124 3.411 -0.094) 4.626 14.072 ( 1.574 1.217 2.773) 3.413 14.108 ( 0.474 1.669 2.052) 2.687 14.199 ( -1.759 -1.041 0.749) 2.177 14.563 ( 0.391 -2.612 -1.900) 3.254 15.682 ( -0.015 -7.899 0.040) 7.899 16.147 ( 0.005 -4.616 0.073) 4.616 22.550 ( 0.143 -0.230 -0.174) 0.322 22.580 ( -0.135 0.240 0.216) 0.350 24.269 ( -0.052 0.741 0.438) 0.862 24.687 ( -3.878 0.964 2.294) 4.607 24.894 ( 4.592 -0.544 -1.827) 4.972 25.124 ( -2.441 4.867 -0.164) 5.447 25.200 ( 1.339 -0.097 -0.258) 1.367 25.472 ( 0.617 -6.512 -0.208) 6.545 110.435 ( 0.000 0.303 -0.000) 0.303 110.461 ( 0.000 0.356 -0.007) 0.356 ======================= Grid point 100 (46/78) ======================= q-point: (-0.25 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 4.805 7.110 6.779) 10.936 1.153 ( 9.610 10.286 5.846) 15.242 1.285 ( -1.655 5.483 -5.960) 8.266 1.398 ( -1.298 4.371 -1.600) 4.833 1.502 ( 1.908 2.346 2.197) 3.738 1.640 ( 0.137 -2.860 4.836) 5.621 1.712 ( 0.634 2.925 4.342) 5.274 1.773 ( 2.674 0.870 -1.187) 3.052 1.848 ( 0.435 0.379 -1.189) 1.322 2.005 ( 2.392 5.556 2.599) 6.584 2.040 ( 1.472 3.293 -2.303) 4.280 2.063 ( 2.232 0.338 -0.759) 2.381 2.122 ( 1.609 1.179 3.129) 3.711 2.278 ( 2.743 -0.769 -6.374) 6.982 2.389 ( 0.315 -2.282 4.516) 5.070 2.524 ( -2.282 -1.725 0.948) 3.014 2.548 ( -5.842 2.838 0.316) 6.503 2.647 ( -2.625 -0.259 -0.456) 2.676 2.730 ( 5.082 -2.565 -3.529) 6.697 2.798 ( -1.330 -3.263 0.459) 3.553 2.918 ( -1.149 -0.161 1.104) 1.602 2.927 ( 3.193 -0.129 -2.078) 3.811 2.960 ( -0.460 3.170 -5.097) 6.019 3.089 ( 1.785 1.456 0.446) 2.346 3.121 ( 2.127 0.603 1.517) 2.682 3.154 ( -2.466 0.379 1.247) 2.789 3.334 ( 3.615 5.860 -1.495) 7.045 3.351 ( -2.385 0.706 5.300) 5.855 3.484 ( -0.082 -0.139 -2.785) 2.790 3.724 ( 2.011 1.747 2.345) 3.549 3.872 ( -2.585 -0.843 -2.986) 4.038 4.043 ( 2.398 -0.742 -4.189) 4.884 4.281 ( 0.200 -0.779 2.834) 2.946 4.349 ( -1.290 -1.872 -1.213) 2.577 4.444 ( -5.030 -0.472 3.964) 6.422 4.548 ( 1.748 -1.543 -4.506) 5.074 4.651 ( 2.221 -0.273 0.389) 2.271 4.772 ( 1.108 -3.929 -0.533) 4.117 4.833 ( -0.449 -3.255 -2.989) 4.442 4.988 ( 0.644 -1.553 0.547) 1.768 5.039 ( 6.684 -0.637 1.244) 6.829 5.157 ( 0.731 1.253 -4.092) 4.341 5.659 ( -1.911 -1.145 -1.736) 2.824 5.748 ( 2.670 -1.994 -1.511) 3.659 6.205 ( -7.523 -5.533 9.405) 13.254 6.352 ( -4.436 2.325 1.297) 5.173 6.573 ( -4.000 -1.441 -3.154) 5.294 6.750 ( 6.885 0.971 -0.229) 6.957 9.754 ( 2.070 0.006 -1.143) 2.364 10.004 ( 1.802 2.089 -0.092) 2.760 10.252 ( 3.112 -3.217 2.018) 4.910 10.446 ( 0.047 -5.128 -1.597) 5.372 13.258 ( 0.791 -2.039 0.189) 2.195 13.598 ( 0.705 -1.189 4.998) 5.186 13.778 ( -4.269 3.102 -0.292) 5.286 13.872 ( 0.007 -0.759 -2.561) 2.671 14.044 ( -2.706 2.755 -0.123) 3.864 14.131 ( -0.925 -1.800 2.310) 3.071 14.180 ( 1.484 2.542 0.719) 3.030 14.571 ( -2.326 -2.921 -1.416) 3.994 15.844 ( 6.124 -9.851 0.076) 11.600 16.240 ( 3.553 -5.405 0.073) 6.469 22.559 ( 0.521 -0.322 -0.124) 0.625 22.582 ( 0.505 0.237 0.150) 0.578 24.261 ( 0.243 0.827 0.367) 0.937 24.633 ( -2.077 1.196 2.065) 3.163 24.889 ( -4.147 6.239 -3.959) 8.474 25.082 ( 8.451 4.012 3.142) 9.868 25.266 ( 0.382 -5.606 -1.148) 5.735 25.548 ( -0.362 -7.535 -0.376) 7.553 110.431 ( -0.016 0.336 -0.000) 0.336 110.455 ( -0.096 0.470 -0.010) 0.480 ======================= Grid point 101 (47/78) ======================= q-point: (-0.12 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 6.325 7.902 7.420) 12.550 1.119 ( 0.640 9.381 0.254) 9.407 1.272 ( 6.418 4.588 -4.031) 8.860 1.396 ( 6.919 5.301 -3.917) 9.556 1.461 ( -0.934 3.177 5.197) 6.162 1.698 ( 2.812 2.226 -0.406) 3.610 1.717 ( -2.134 -3.912 3.851) 5.890 1.812 ( 5.844 0.862 -1.837) 6.186 1.914 ( 2.343 -1.178 -2.486) 3.614 1.977 ( 1.586 0.790 2.347) 2.941 2.078 ( 4.266 1.480 -3.474) 5.697 2.108 ( 2.538 -1.643 1.044) 3.199 2.159 ( 5.059 4.553 7.235) 9.933 2.288 ( 0.815 0.939 -3.907) 4.100 2.398 ( 0.000 2.170 0.452) 2.216 2.443 ( -3.302 0.383 0.745) 3.406 2.509 ( -2.797 -1.408 2.076) 3.757 2.616 ( -2.076 -0.932 -1.489) 2.720 2.726 ( -2.250 0.562 -5.620) 6.080 2.849 ( -3.731 0.721 -0.213) 3.806 2.872 ( 3.786 -3.157 3.082) 5.814 2.920 ( 3.090 5.321 -4.095) 7.391 2.985 ( 1.008 -1.484 1.560) 2.377 3.080 ( -2.603 2.783 -1.279) 4.019 3.132 ( 0.399 -0.220 1.713) 1.773 3.154 ( 3.108 0.767 1.635) 3.594 3.335 ( 1.055 0.614 0.356) 1.271 3.375 ( 3.118 -0.411 0.776) 3.240 3.438 ( -3.171 0.725 -2.349) 4.012 3.739 ( -2.772 -0.690 0.064) 2.857 3.844 ( 2.223 0.681 -1.099) 2.572 4.089 ( 1.850 -2.722 -2.274) 4.000 4.297 ( -0.412 -0.206 3.226) 3.259 4.307 ( -3.801 -2.277 -2.938) 5.316 4.397 ( -1.674 3.015 3.290) 4.766 4.541 ( -1.549 -1.460 -2.731) 3.463 4.690 ( 2.223 0.009 -0.676) 2.323 4.862 ( 2.402 -2.524 0.845) 3.585 4.896 ( 3.725 -3.550 -0.479) 5.168 5.009 ( 1.082 -1.146 -2.248) 2.746 5.137 ( 3.368 1.808 0.287) 3.834 5.206 ( 6.598 -1.710 1.736) 7.034 5.632 ( -1.348 -1.041 -2.819) 3.293 5.730 ( -4.132 1.499 -1.725) 4.722 6.130 ( -8.978 -2.424 7.362) 11.861 6.317 ( -1.772 -1.091 2.668) 3.384 6.546 ( -1.760 -4.059 -4.105) 6.036 6.825 ( 2.945 -0.071 0.166) 2.951 9.801 ( 3.497 -0.940 -1.804) 4.046 10.019 ( 1.962 1.247 0.501) 2.379 10.294 ( -0.433 -2.381 -2.862) 3.748 10.530 ( 1.927 -3.073 1.451) 3.907 13.297 ( 0.687 -2.091 0.010) 2.201 13.631 ( -3.757 0.079 5.221) 6.433 13.699 ( 1.710 1.820 0.356) 2.522 13.869 ( -2.508 -0.887 1.001) 2.842 13.965 ( -2.220 -0.249 -5.240) 5.696 14.092 ( -2.894 0.324 1.590) 3.318 14.229 ( 4.519 2.121 1.928) 5.352 14.538 ( -4.785 -2.717 -0.369) 5.515 16.071 ( 6.526 -8.565 0.023) 10.768 16.371 ( 4.317 -4.699 0.098) 6.382 22.571 ( 0.489 -0.286 -0.074) 0.571 22.591 ( 0.638 0.118 0.074) 0.653 24.273 ( 1.811 -0.033 0.241) 1.827 24.602 ( -0.816 3.234 1.450) 3.637 24.696 ( -4.354 7.369 -0.263) 8.563 25.232 ( 7.745 2.886 0.327) 8.272 25.306 ( -0.170 -5.932 0.137) 5.937 25.629 ( -1.126 -8.223 -2.233) 8.594 110.427 ( 0.048 0.220 -0.001) 0.225 110.448 ( -0.068 0.464 -0.006) 0.469 ======================= Grid point 106 (48/78) ======================= q-point: (-0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -0.205 -0.000 6.715) 6.718 1.270 ( 1.186 -0.000 10.101) 10.170 1.417 ( -0.876 -0.000 5.680) 5.747 1.506 ( -0.644 -0.000 0.593) 0.875 1.572 ( -0.522 -0.000 0.281) 0.593 1.582 ( -5.587 0.000 -3.115) 6.397 1.703 ( 0.837 -0.000 1.623) 1.826 1.753 ( 2.932 -0.000 2.145) 3.633 1.853 ( 0.784 -0.000 2.649) 2.762 1.924 ( 3.228 -0.000 -5.818) 6.653 2.127 ( 0.207 -0.000 8.016) 8.019 2.151 ( 1.642 -0.000 -7.026) 7.215 2.221 ( 2.908 -0.000 -5.608) 6.317 2.254 ( 1.201 -0.000 -8.484) 8.568 2.276 ( -1.937 0.000 3.549) 4.043 2.505 ( -1.221 -0.000 -1.697) 2.091 2.533 ( -1.760 -0.000 2.675) 3.202 2.651 ( -2.874 -0.000 3.560) 4.575 2.722 ( 2.328 -0.000 1.427) 2.730 2.733 ( -1.647 -0.000 -0.516) 1.726 2.894 ( 1.972 -0.000 -0.055) 1.973 2.905 ( -0.154 -0.000 3.374) 3.378 2.988 ( 1.070 -0.000 4.546) 4.670 3.076 ( 0.802 -0.000 1.792) 1.963 3.106 ( -0.370 -0.000 -6.384) 6.395 3.292 ( 0.389 -0.000 -0.898) 0.979 3.403 ( -1.375 -0.000 0.705) 1.545 3.450 ( -1.139 -0.000 -4.580) 4.719 3.473 ( -0.955 -0.000 -2.189) 2.388 3.813 ( 0.218 0.000 1.545) 1.560 3.843 ( -1.256 -0.000 5.136) 5.287 4.130 ( 1.261 0.000 -5.253) 5.403 4.138 ( 4.731 -0.000 -0.799) 4.798 4.308 ( 1.341 -0.000 3.572) 3.816 4.424 ( -3.431 -0.000 1.308) 3.672 4.553 ( -1.815 -0.000 -2.293) 2.924 4.644 ( -1.557 -0.000 1.222) 1.979 4.723 ( -0.808 -0.000 -8.731) 8.768 4.768 ( -1.543 -0.000 -2.491) 2.930 4.944 ( 2.289 -0.000 1.597) 2.791 4.980 ( -1.517 -0.000 1.562) 2.178 5.146 ( 3.037 -0.000 -5.465) 6.252 5.637 ( 2.890 -0.000 0.918) 3.033 5.686 ( -3.413 -0.000 -0.844) 3.515 6.074 ( 0.707 -0.000 7.455) 7.488 6.526 ( 1.493 -0.000 0.647) 1.627 6.600 ( -1.279 -0.000 -4.453) 4.633 6.690 ( -0.932 -0.000 1.649) 1.894 9.752 ( -0.329 -0.000 -0.636) 0.716 10.034 ( 0.582 -0.000 -0.381) 0.696 10.085 ( 3.498 -0.000 4.992) 6.095 10.390 ( -2.842 -0.000 -3.382) 4.418 13.210 ( 0.060 -0.000 0.411) 0.416 13.558 ( -0.280 -0.000 3.461) 3.472 13.831 ( 2.124 0.000 -7.748) 8.034 13.985 ( -1.677 -0.000 -1.222) 2.075 14.072 ( -0.908 -0.000 3.714) 3.823 14.124 ( -0.273 0.000 1.181) 1.212 14.192 ( -0.363 -0.000 4.050) 4.067 14.529 ( 0.517 -0.000 -2.655) 2.705 15.586 ( 0.022 -0.000 -0.001) 0.022 16.091 ( 0.032 -0.000 0.068) 0.075 22.548 ( 0.166 -0.000 -0.232) 0.285 22.584 ( -0.156 -0.000 0.280) 0.321 24.277 ( -0.053 -0.000 0.476) 0.478 24.696 ( -4.253 -0.000 2.532) 4.949 24.882 ( 4.586 -0.000 -2.163) 5.070 25.159 ( 0.791 -0.000 1.158) 1.402 25.275 ( -1.023 -0.000 -0.463) 1.123 25.349 ( 0.074 -0.000 -1.292) 1.294 110.439 ( -0.000 -0.000 -0.000) 0.000 110.465 ( 0.000 -0.000 -0.003) 0.003 ======================= Grid point 108 (49/78) ======================= q-point: (-0.38 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 7.127 1.990 6.182) 9.643 1.339 ( 4.262 4.580 9.674) 11.520 1.418 ( -1.142 4.701 -0.624) 4.878 1.464 ( -3.283 1.727 3.136) 4.857 1.520 ( 3.922 0.012 -1.614) 4.241 1.593 ( 0.100 -1.402 1.730) 2.229 1.745 ( 3.528 0.110 2.286) 4.205 1.812 ( 2.253 -0.561 -0.370) 2.351 1.823 ( -3.644 1.427 -0.871) 4.009 1.973 ( 2.071 -4.617 -5.248) 7.290 2.104 ( 1.637 4.016 -3.771) 5.748 2.147 ( 0.192 3.588 -0.873) 3.697 2.208 ( 0.303 3.435 2.597) 4.317 2.257 ( 1.696 -0.909 -5.735) 6.049 2.320 ( 2.593 -4.198 2.434) 5.502 2.467 ( -3.939 -1.646 2.631) 5.015 2.576 ( -0.545 -0.047 1.493) 1.590 2.629 ( -1.538 -3.730 -0.036) 4.035 2.694 ( 0.207 1.338 1.284) 1.866 2.735 ( -1.477 -0.540 -0.621) 1.691 2.911 ( -0.007 -0.263 4.756) 4.764 2.939 ( 3.523 0.602 -1.920) 4.057 3.005 ( -3.962 0.624 -3.678) 5.442 3.104 ( 5.111 -0.132 1.004) 5.211 3.121 ( 4.210 -0.247 0.060) 4.218 3.232 ( -2.400 4.662 -0.705) 5.291 3.372 ( -3.906 0.510 3.889) 5.536 3.454 ( -0.629 -0.723 -0.931) 1.336 3.471 ( 5.996 2.551 -3.574) 7.432 3.763 ( -3.354 1.047 0.066) 3.514 3.850 ( -1.965 -0.736 3.142) 3.778 4.079 ( 1.648 4.915 -6.941) 8.663 4.226 ( 0.534 -4.852 -1.324) 5.058 4.339 ( -1.451 1.494 2.646) 3.368 4.395 ( -1.145 -2.832 5.259) 6.082 4.518 ( -0.831 -1.445 -6.400) 6.614 4.648 ( 1.792 -0.023 0.112) 1.796 4.697 ( 0.831 -2.080 -4.056) 4.633 4.764 ( 0.633 -1.658 -0.799) 1.947 4.969 ( -0.375 -0.247 0.667) 0.804 5.031 ( 6.831 -0.113 0.722) 6.870 5.174 ( 2.892 0.292 -3.917) 4.878 5.642 ( -1.199 -0.355 -2.010) 2.367 5.713 ( 3.958 -0.862 1.648) 4.373 6.080 ( -6.847 -3.552 6.713) 10.225 6.404 ( -8.502 1.603 1.024) 8.713 6.544 ( -3.727 -0.882 -3.683) 5.314 6.799 ( 8.612 1.701 1.102) 8.847 9.761 ( 2.059 0.329 -0.962) 2.296 10.042 ( 1.217 0.971 -0.093) 1.559 10.191 ( 3.755 -1.594 2.736) 4.911 10.352 ( -0.117 -2.390 -1.742) 2.959 13.225 ( 0.902 -0.771 0.167) 1.198 13.579 ( 0.272 -0.426 4.081) 4.112 13.817 ( 0.848 0.336 -7.961) 8.013 13.912 ( -3.652 3.105 0.979) 4.892 14.069 ( -3.752 -2.604 2.233) 5.083 14.098 ( -1.993 1.117 1.235) 2.597 14.234 ( 3.534 1.615 3.209) 5.039 14.514 ( -1.860 -1.678 -2.422) 3.484 15.677 ( 7.463 -3.955 0.033) 8.446 16.145 ( 4.462 -2.337 0.036) 5.037 22.554 ( 0.629 -0.091 -0.243) 0.680 22.588 ( 0.510 0.163 0.285) 0.607 24.273 ( -0.459 0.225 0.434) 0.671 24.647 ( -2.583 0.231 2.350) 3.500 24.961 ( 4.857 0.615 -2.862) 5.671 25.188 ( 1.059 1.963 1.263) 2.563 25.219 ( 0.896 3.973 -0.852) 4.161 25.375 ( -1.458 -7.409 -0.194) 7.554 110.437 ( -0.083 0.157 -0.000) 0.177 110.463 ( -0.160 0.173 -0.003) 0.235 ======================= Grid point 109 (50/78) ======================= q-point: (-0.25 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 3.791 5.133 5.559) 8.464 1.291 ( -4.281 5.531 1.963) 7.265 1.423 ( 3.320 5.823 -0.867) 6.759 1.447 ( 7.743 2.295 1.139) 8.156 1.563 ( 0.790 2.582 3.315) 4.276 1.656 ( 2.432 -0.690 3.556) 4.363 1.730 ( -2.360 0.094 -3.665) 4.360 1.819 ( 3.645 -0.152 -0.985) 3.778 1.862 ( 4.939 -0.430 -0.563) 4.990 2.024 ( 0.628 -4.392 -4.626) 6.409 2.056 ( -1.267 2.864 -2.233) 3.846 2.122 ( 3.745 3.335 0.014) 5.015 2.225 ( 0.636 0.445 4.181) 4.253 2.266 ( 1.700 -2.056 -5.516) 6.128 2.397 ( -1.545 -1.975 3.268) 4.119 2.444 ( -3.364 -1.916 8.171) 9.042 2.520 ( -1.015 2.929 -3.511) 4.684 2.600 ( -2.015 0.064 -1.099) 2.296 2.699 ( -4.307 -2.713 0.484) 5.113 2.795 ( 5.662 -1.770 -0.184) 5.935 2.882 ( -3.097 1.256 0.277) 3.354 2.955 ( -0.420 -0.414 -1.008) 1.167 2.994 ( 4.442 -0.428 -1.610) 4.744 3.128 ( -3.392 3.118 -1.032) 4.721 3.172 ( 1.253 2.417 -0.410) 2.753 3.198 ( 4.819 2.048 0.646) 5.276 3.310 ( -2.879 -0.910 3.755) 4.819 3.434 ( -2.841 -0.937 -1.408) 3.307 3.506 ( 5.371 8.224 -0.801) 9.855 3.698 ( -4.794 -2.476 -2.122) 5.798 3.857 ( 1.892 0.010 2.336) 3.006 4.040 ( 1.669 0.092 -5.819) 6.055 4.243 ( -2.562 -3.664 -4.037) 6.024 4.303 ( -1.500 0.886 4.934) 5.233 4.443 ( 0.249 0.519 4.399) 4.437 4.489 ( -1.645 -2.698 -4.431) 5.442 4.685 ( 2.362 -0.347 -1.119) 2.637 4.783 ( 5.307 -3.994 -0.177) 6.644 4.813 ( 2.565 -2.343 0.754) 3.555 4.978 ( 0.482 -1.037 -0.651) 1.316 5.167 ( 7.352 -0.476 1.037) 7.440 5.195 ( 3.390 1.603 -2.401) 4.452 5.623 ( -0.171 0.052 -3.066) 3.072 5.758 ( -0.869 1.078 0.311) 1.419 6.015 ( -10.725 -6.963 6.744) 14.457 6.294 ( -3.001 0.153 0.829) 3.117 6.487 ( -1.719 -0.963 -2.214) 2.964 6.888 ( 4.637 3.588 0.669) 5.901 9.798 ( 3.379 0.377 -1.677) 3.791 10.051 ( 1.218 1.345 0.511) 1.886 10.228 ( -0.346 -2.792 -4.234) 5.084 10.449 ( 4.547 -3.257 3.859) 6.795 13.256 ( 1.209 -1.336 -0.300) 1.826 13.614 ( -0.196 -0.937 4.474) 4.575 13.762 ( -1.155 2.534 -2.904) 4.023 13.848 ( -1.515 0.392 0.140) 1.571 13.993 ( -4.505 1.162 -3.182) 5.637 14.079 ( -2.236 -0.904 2.880) 3.757 14.296 ( 4.925 2.950 2.966) 6.461 14.479 ( -3.960 -2.436 -1.808) 4.988 15.895 ( 10.304 -5.871 0.064) 11.859 16.276 ( 6.455 -3.214 0.007) 7.211 22.566 ( 0.707 -0.128 -0.240) 0.757 22.597 ( 0.640 0.307 0.259) 0.755 24.268 ( -0.093 -0.300 0.325) 0.452 24.628 ( -1.008 0.333 3.108) 3.285 24.898 ( -3.696 8.509 -3.091) 9.779 25.186 ( -1.373 -3.538 -1.783) 4.193 25.281 ( 7.489 -0.289 1.351) 7.616 25.458 ( 1.883 -5.487 -0.037) 5.801 110.433 ( -0.094 0.211 -0.000) 0.231 110.457 ( -0.250 0.259 -0.003) 0.360 ======================= Grid point 110 (51/78) ======================= q-point: (-0.12 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -2.890 2.770 -0.854) 4.094 1.248 ( 3.314 5.123 4.540) 7.605 1.430 ( 3.166 4.752 0.289) 5.718 1.454 ( -4.361 2.145 5.700) 7.491 1.566 ( 4.681 5.792 1.571) 7.611 1.640 ( -3.406 -1.989 -0.137) 3.947 1.768 ( 4.356 -0.862 -3.078) 5.403 1.891 ( 4.297 0.660 -3.468) 5.562 1.957 ( 3.063 2.219 -2.815) 4.715 2.004 ( 2.621 -1.389 -1.522) 3.334 2.054 ( 0.599 -2.077 0.277) 2.179 2.179 ( 4.734 0.453 1.909) 5.125 2.221 ( -1.766 -0.565 -2.524) 3.132 2.304 ( 0.248 -2.700 -0.658) 2.791 2.365 ( -5.312 0.040 2.607) 5.918 2.449 ( -1.479 -1.101 3.344) 3.819 2.500 ( 3.832 2.705 -0.158) 4.693 2.582 ( -0.777 -1.298 -1.420) 2.075 2.642 ( -3.995 -0.326 0.513) 4.041 2.810 ( -1.586 1.052 -2.341) 3.017 2.898 ( 1.010 -2.869 3.521) 4.653 2.956 ( -3.229 -0.372 -2.023) 3.829 3.010 ( -4.525 -0.609 -0.607) 4.606 3.061 ( 4.041 2.632 -1.535) 5.061 3.128 ( 0.524 0.503 -0.293) 0.783 3.231 ( 2.594 2.612 -0.854) 3.779 3.348 ( -0.214 -1.088 -0.010) 1.109 3.377 ( -2.385 -1.223 -0.554) 2.737 3.473 ( 2.557 5.614 -1.757) 6.414 3.647 ( -1.958 -0.310 0.840) 2.152 3.913 ( 0.463 -0.705 4.889) 4.962 4.069 ( 3.377 -0.638 -3.751) 5.088 4.219 ( -1.870 -2.629 -4.023) 5.157 4.307 ( -0.600 -0.333 4.737) 4.786 4.432 ( 0.039 2.593 1.043) 2.795 4.495 ( -0.135 -2.054 0.082) 2.060 4.711 ( 1.103 -0.296 -2.158) 2.442 4.891 ( 2.793 -1.559 2.392) 3.994 4.918 ( 3.653 -3.202 0.487) 4.882 5.003 ( 1.679 -1.586 -2.581) 3.463 5.217 ( 2.909 1.658 -0.232) 3.356 5.300 ( 5.741 -0.758 0.059) 5.791 5.590 ( -1.864 0.080 -2.996) 3.530 5.673 ( -4.446 2.126 -1.499) 5.151 5.976 ( -7.448 -6.121 9.282) 13.382 6.285 ( 0.639 0.279 -0.165) 0.716 6.497 ( 1.506 -2.301 -2.799) 3.924 6.881 ( 0.295 4.257 0.117) 4.269 9.842 ( 3.069 -0.046 -2.592) 4.017 10.054 ( 0.084 0.984 1.242) 1.587 10.243 ( 0.484 -3.071 -3.525) 4.700 10.552 ( 2.122 -1.149 2.220) 3.279 13.288 ( 0.850 -1.412 -0.471) 1.714 13.602 ( -3.195 1.226 4.204) 5.421 13.743 ( 2.026 0.034 -3.541) 4.080 13.835 ( -2.127 0.793 0.822) 2.414 13.896 ( -2.101 -0.233 -0.637) 2.207 14.073 ( -0.136 -0.712 1.012) 1.245 14.356 ( 4.926 3.758 2.465) 6.668 14.418 ( -5.529 -2.362 -1.223) 6.136 16.113 ( 7.099 -4.383 -0.002) 8.343 16.408 ( 4.714 -2.166 0.062) 5.189 22.576 ( 0.418 -0.081 -0.221) 0.480 22.603 ( 0.338 0.297 0.205) 0.495 24.292 ( 1.378 -1.846 0.210) 2.314 24.628 ( -0.642 1.291 3.790) 4.055 24.706 ( -5.023 6.872 -0.462) 8.524 25.178 ( -1.082 -2.197 -5.796) 6.292 25.424 ( 3.083 -4.225 1.756) 5.517 25.549 ( 4.535 -0.547 0.151) 4.570 110.430 ( -0.043 0.137 -0.000) 0.144 110.450 ( -0.202 0.198 -0.001) 0.282 ======================= Grid point 116 (52/78) ======================= q-point: (-0.38 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 3.655 -0.000 5.677) 6.752 1.355 ( -5.683 0.000 5.430) 7.860 1.445 ( -1.960 0.000 0.642) 2.062 1.545 ( 7.788 -0.000 5.733) 9.671 1.586 ( 7.331 -0.000 -4.482) 8.593 1.615 ( 0.185 -0.000 1.892) 1.901 1.765 ( -0.354 0.000 -1.160) 1.213 1.824 ( 1.622 -0.000 -2.687) 3.139 1.866 ( 4.681 -0.000 3.038) 5.580 1.945 ( 2.335 -0.000 -5.664) 6.127 2.077 ( -1.992 0.000 -6.996) 7.274 2.180 ( 0.760 -0.000 -3.190) 3.279 2.240 ( -1.147 0.000 -0.147) 1.156 2.284 ( 3.202 -0.000 1.695) 3.623 2.293 ( -1.911 0.000 1.977) 2.749 2.427 ( -1.388 0.000 7.708) 7.832 2.541 ( -3.005 0.000 -1.865) 3.536 2.600 ( -1.486 0.000 0.384) 1.535 2.683 ( -3.126 0.000 -1.217) 3.355 2.779 ( 6.378 -0.000 2.438) 6.828 2.892 ( -4.484 0.000 -1.539) 4.740 2.953 ( -0.182 0.000 4.489) 4.492 2.974 ( 3.077 -0.000 -4.961) 5.838 3.177 ( -4.004 0.000 -2.663) 4.809 3.206 ( 1.073 -0.000 1.148) 1.572 3.225 ( 7.201 -0.000 0.966) 7.265 3.318 ( -4.545 0.000 2.954) 5.420 3.401 ( -4.204 0.000 -1.668) 4.522 3.622 ( 8.565 -0.000 0.486) 8.579 3.662 ( -4.949 0.000 -3.112) 5.846 3.848 ( -1.247 0.000 5.030) 5.182 4.116 ( -1.369 0.000 -6.171) 6.321 4.134 ( 0.979 -0.000 -6.787) 6.857 4.327 ( -3.349 0.000 6.986) 7.747 4.426 ( 0.886 -0.000 -1.727) 1.941 4.453 ( 0.341 -0.000 0.284) 0.444 4.683 ( 2.630 -0.000 -2.407) 3.566 4.730 ( 4.946 -0.000 -0.553) 4.977 4.788 ( 2.766 -0.000 1.951) 3.385 4.967 ( 0.224 -0.000 -0.221) 0.315 5.159 ( 7.753 -0.000 -0.467) 7.767 5.219 ( 3.531 -0.000 -2.073) 4.095 5.625 ( 0.700 -0.000 -3.408) 3.479 5.779 ( 2.202 -0.000 3.867) 4.450 5.908 ( -12.668 0.000 2.615) 12.935 6.302 ( -3.398 0.000 1.054) 3.558 6.478 ( -2.860 0.000 -0.850) 2.984 6.937 ( 5.719 -0.000 0.666) 5.757 9.805 ( 3.383 -0.000 -1.764) 3.816 10.069 ( 1.112 -0.000 0.589) 1.259 10.191 ( -0.635 0.000 -4.680) 4.723 10.407 ( 5.475 -0.000 4.782) 7.270 13.240 ( 1.326 -0.000 -0.256) 1.351 13.602 ( 0.365 -0.000 3.830) 3.847 13.786 ( -0.166 0.000 -7.501) 7.503 13.876 ( -3.185 0.000 0.890) 3.307 13.992 ( -5.095 0.000 3.866) 6.395 14.073 ( -1.210 0.000 -0.682) 1.389 14.338 ( 5.013 -0.000 3.959) 6.388 14.442 ( -3.849 0.000 -2.647) 4.672 15.824 ( 11.765 -0.000 0.054) 11.765 16.237 ( 7.518 -0.000 -0.045) 7.518 22.565 ( 0.779 -0.000 -0.286) 0.830 22.601 ( 0.674 -0.000 0.316) 0.745 24.264 ( -0.903 0.000 0.359) 0.972 24.631 ( -1.124 0.000 3.067) 3.267 25.033 ( 4.197 -0.000 -4.894) 6.447 25.137 ( -10.763 0.000 -0.773) 10.791 25.238 ( 3.526 -0.000 0.332) 3.542 25.407 ( 8.245 -0.000 1.841) 8.448 110.436 ( -0.150 0.000 -0.000) 0.150 110.460 ( -0.329 0.000 -0.002) 0.329 ======================= Grid point 117 (53/78) ======================= q-point: (-0.25 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -7.618 0.852 0.730) 7.700 1.347 ( -0.597 3.856 2.396) 4.579 1.433 ( -2.684 -2.907 5.081) 6.440 1.538 ( -2.496 4.245 2.013) 5.320 1.656 ( -1.040 -1.095 -5.071) 5.291 1.703 ( 3.286 1.481 5.567) 6.632 1.738 ( 4.513 5.452 -1.200) 7.178 1.895 ( 4.364 -5.043 -1.686) 6.879 1.938 ( 5.226 2.573 -5.182) 7.796 1.994 ( 4.179 -1.096 -1.542) 4.587 2.029 ( 0.568 -1.465 -5.646) 5.860 2.181 ( -1.461 -1.415 2.312) 3.079 2.214 ( -0.545 1.728 0.602) 1.909 2.265 ( 0.423 -0.523 1.918) 2.032 2.361 ( 0.588 0.309 3.681) 3.741 2.423 ( -3.505 -0.626 1.701) 3.946 2.528 ( 1.217 -1.651 1.994) 2.861 2.577 ( 0.064 0.108 -1.906) 1.910 2.612 ( -4.810 0.024 -0.844) 4.884 2.823 ( -0.915 0.645 -2.630) 2.858 2.845 ( -0.958 -1.642 0.310) 1.926 2.964 ( -1.120 -0.605 3.415) 3.645 3.001 ( -9.491 1.467 -3.176) 10.115 3.066 ( 4.757 -1.640 -0.036) 5.032 3.184 ( -1.287 4.002 -1.456) 4.449 3.254 ( -0.629 -0.554 -1.390) 1.623 3.322 ( -5.797 -3.027 -2.325) 6.940 3.347 ( 4.539 0.649 1.556) 4.842 3.597 ( -1.549 1.336 -1.801) 2.726 3.694 ( 2.770 5.385 2.346) 6.494 3.869 ( -1.024 -1.998 5.691) 6.118 4.081 ( 4.269 1.209 -5.266) 6.886 4.140 ( -1.251 -3.785 -5.568) 6.848 4.314 ( -1.019 0.708 5.486) 5.625 4.420 ( 0.739 -1.829 -3.054) 3.636 4.494 ( 0.401 0.694 4.469) 4.541 4.701 ( 1.279 -0.293 -3.931) 4.145 4.839 ( 5.633 -2.363 0.032) 6.109 4.866 ( 3.969 -0.618 3.497) 5.326 4.976 ( 0.899 -0.623 -0.886) 1.407 5.257 ( 2.103 1.274 -0.249) 2.471 5.283 ( 7.217 -0.488 -1.771) 7.447 5.607 ( -0.822 1.058 -4.113) 4.325 5.698 ( -9.323 -0.193 -0.887) 9.367 5.849 ( -1.021 -3.236 7.626) 8.347 6.309 ( 3.124 0.982 0.530) 3.317 6.441 ( -1.762 -1.761 0.050) 2.492 6.990 ( 2.721 3.393 -0.276) 4.359 9.848 ( 3.046 0.303 -2.648) 4.047 10.079 ( -0.056 0.932 1.164) 1.492 10.175 ( 0.416 -2.103 -3.935) 4.481 10.522 ( 4.212 -0.952 3.304) 5.437 13.264 ( 1.307 -0.583 -0.538) 1.529 13.617 ( -1.255 0.154 3.137) 3.382 13.747 ( 0.202 0.132 -5.744) 5.749 13.842 ( -0.791 0.461 2.857) 3.001 13.919 ( -4.770 0.874 1.694) 5.136 14.063 ( 0.510 -0.200 -1.553) 1.646 14.360 ( -4.872 -1.370 -2.207) 5.521 14.436 ( 4.906 1.807 4.138) 6.668 16.037 ( 10.913 -1.835 0.045) 11.066 16.374 ( 7.475 -0.744 -0.080) 7.512 22.575 ( 0.573 -0.007 -0.279) 0.638 22.610 ( 0.338 0.236 0.292) 0.505 24.255 ( -0.698 -0.990 0.249) 1.237 24.637 ( -0.397 0.058 4.032) 4.052 24.883 ( -9.616 6.946 -1.100) 11.913 25.101 ( 0.818 -4.416 -6.032) 7.520 25.317 ( 2.289 -2.939 1.696) 4.093 25.570 ( 10.036 0.909 0.890) 10.116 110.432 ( -0.144 0.081 -0.000) 0.165 110.453 ( -0.430 0.054 -0.001) 0.433 ======================= Grid point 118 (54/78) ======================= q-point: (-0.12 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( -7.779 -1.590 1.010) 8.003 1.285 ( -8.242 -2.952 2.722) 9.168 1.357 ( -3.696 4.301 0.559) 5.698 1.521 ( -1.659 0.945 8.696) 8.903 1.575 ( -2.555 0.684 -2.341) 3.532 1.736 ( 4.416 6.820 -0.183) 8.127 1.751 ( 0.087 -3.106 -5.379) 6.212 1.923 ( -1.526 -0.514 -5.611) 5.837 1.954 ( -1.891 0.289 -1.624) 2.510 2.023 ( 2.985 1.005 -3.688) 4.850 2.130 ( 1.990 -2.160 1.465) 3.282 2.169 ( 1.433 -0.910 3.826) 4.186 2.260 ( 2.604 -1.478 0.897) 3.126 2.269 ( -5.355 0.180 2.674) 5.988 2.311 ( 1.381 1.514 0.749) 2.182 2.374 ( -7.751 -0.702 1.207) 7.875 2.482 ( -5.533 -1.178 -4.514) 7.237 2.587 ( 2.845 1.012 -1.556) 3.397 2.617 ( 1.183 -0.993 2.320) 2.787 2.783 ( 0.999 -1.869 -3.984) 4.512 2.854 ( -1.264 0.886 -2.807) 3.203 2.902 ( 1.620 -3.649 4.757) 6.210 2.970 ( -1.576 -1.515 1.806) 2.836 3.082 ( -1.564 1.748 0.057) 2.347 3.191 ( 0.803 1.505 0.784) 1.877 3.226 ( -2.984 -1.063 -0.612) 3.227 3.279 ( 0.121 -2.701 -3.061) 4.085 3.380 ( 0.838 1.247 -0.165) 1.512 3.524 ( -1.272 4.506 -1.419) 4.893 3.688 ( 0.401 1.112 1.127) 1.633 3.900 ( -1.163 -1.551 6.250) 6.544 4.121 ( -2.392 -2.306 -3.837) 5.075 4.141 ( 3.607 -0.922 -2.076) 4.263 4.333 ( 1.510 0.755 3.110) 3.539 4.450 ( 0.583 -0.287 -0.937) 1.140 4.497 ( 0.596 -0.172 2.574) 2.648 4.703 ( 0.986 -0.785 -4.247) 4.430 4.934 ( 1.502 0.093 2.418) 2.847 4.945 ( 2.886 -1.863 -0.002) 3.435 5.010 ( 1.898 -1.565 -0.723) 2.564 5.231 ( -4.118 1.096 0.548) 4.296 5.392 ( 5.730 -0.133 -1.043) 5.826 5.549 ( -0.475 0.270 -2.293) 2.357 5.617 ( -0.153 -0.510 -4.099) 4.133 5.912 ( 0.159 -0.601 10.234) 10.253 6.336 ( 1.431 2.185 0.884) 2.757 6.475 ( 1.054 -4.251 -1.214) 4.545 6.953 ( 1.391 7.491 -1.805) 7.830 9.870 ( 1.685 0.258 -3.412) 3.814 10.056 ( -2.142 1.063 1.789) 2.987 10.211 ( 1.584 -2.995 -2.100) 3.986 10.589 ( 1.863 0.150 1.012) 2.125 13.289 ( 0.917 -0.720 -0.301) 1.204 13.588 ( -2.457 1.041 3.297) 4.241 13.741 ( 1.671 -0.560 -4.984) 5.286 13.800 ( -3.384 2.952 -1.685) 4.796 13.909 ( 2.046 -2.016 5.147) 5.894 14.074 ( 1.015 -0.566 -0.938) 1.493 14.282 ( -5.874 -2.592 -2.016) 6.730 14.504 ( 4.956 4.367 3.693) 7.568 16.197 ( 5.701 -0.354 -0.026) 5.712 16.476 ( 4.012 0.843 -0.011) 4.100 22.581 ( 0.195 0.077 -0.191) 0.284 22.609 ( -0.126 0.344 0.186) 0.411 24.278 ( 0.472 -3.325 0.133) 3.361 24.643 ( -5.276 3.088 2.496) 6.603 24.664 ( -3.410 1.062 2.708) 4.483 25.117 ( 0.192 -2.492 -8.607) 8.962 25.387 ( 0.939 -2.189 3.671) 4.376 25.703 ( 7.555 3.348 -0.819) 8.304 110.429 ( -0.105 0.070 -0.000) 0.126 110.446 ( -0.366 -0.081 -0.000) 0.375 ======================= Grid point 125 (55/78) ======================= q-point: (-0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -10.443 0.000 0.938) 10.485 1.247 ( -11.956 0.000 2.493) 12.213 1.469 ( 2.948 -0.000 2.479) 3.852 1.469 ( -5.342 0.000 -1.108) 5.456 1.607 ( -5.488 0.000 0.814) 5.548 1.724 ( -1.574 0.000 0.606) 1.687 1.825 ( 0.149 -0.000 2.153) 2.158 1.913 ( 5.617 -0.000 -6.643) 8.699 1.915 ( -3.497 0.000 -9.684) 10.296 2.033 ( 0.773 -0.000 -1.534) 1.718 2.121 ( -2.893 0.000 3.316) 4.401 2.140 ( 6.478 -0.000 2.067) 6.799 2.262 ( 4.803 -0.000 1.460) 5.020 2.267 ( -2.584 0.000 5.992) 6.525 2.321 ( -6.367 0.000 -0.418) 6.381 2.406 ( -15.234 0.000 1.709) 15.329 2.467 ( 5.394 -0.000 0.696) 5.438 2.574 ( 2.786 -0.000 -3.037) 4.122 2.596 ( 3.734 -0.000 -2.460) 4.472 2.806 ( -1.265 0.000 -2.016) 2.380 2.816 ( -2.157 0.000 5.483) 5.892 2.840 ( -0.459 0.000 -4.847) 4.868 2.968 ( -1.597 0.000 3.411) 3.767 3.128 ( -0.482 0.000 2.343) 2.392 3.196 ( -4.991 0.000 -3.009) 5.828 3.221 ( 2.231 -0.000 -0.634) 2.320 3.221 ( 1.257 -0.000 -0.420) 1.325 3.403 ( 0.592 -0.000 -1.055) 1.210 3.583 ( -1.766 0.000 0.403) 1.812 3.725 ( -3.349 0.000 -1.421) 3.638 3.874 ( -0.435 0.000 6.532) 6.547 4.051 ( -0.227 0.000 -5.269) 5.274 4.149 ( 1.637 -0.000 -0.838) 1.839 4.353 ( 2.566 -0.000 3.153) 4.066 4.423 ( 1.573 -0.000 -1.934) 2.493 4.511 ( -1.131 0.000 2.943) 3.153 4.691 ( 1.203 -0.000 -5.591) 5.719 4.914 ( 4.245 -0.000 0.359) 4.260 4.944 ( 2.797 -0.000 3.933) 4.826 4.983 ( 0.890 -0.000 -1.162) 1.463 5.246 ( -5.181 0.000 1.160) 5.309 5.388 ( 6.001 -0.000 -1.135) 6.108 5.559 ( -2.337 0.000 -1.025) 2.552 5.597 ( 2.272 -0.000 -6.813) 7.182 5.923 ( 4.374 -0.000 10.161) 11.063 6.382 ( 2.765 -0.000 1.033) 2.951 6.390 ( -2.348 0.000 0.402) 2.382 7.060 ( 3.881 -0.000 -2.504) 4.619 9.874 ( 1.501 -0.000 -3.167) 3.504 10.075 ( -2.103 0.000 1.407) 2.531 10.165 ( 1.662 -0.000 -1.772) 2.430 10.588 ( 2.798 -0.000 1.049) 2.988 13.280 ( 1.160 -0.000 -0.350) 1.211 13.601 ( -2.304 0.000 2.143) 3.146 13.736 ( 1.959 -0.000 -5.083) 5.448 13.862 ( -4.202 0.000 2.825) 5.063 13.863 ( 1.431 -0.000 2.594) 2.962 14.070 ( 1.717 -0.000 -3.363) 3.776 14.246 ( -5.905 0.000 -1.942) 6.216 14.561 ( 5.328 -0.000 5.014) 7.316 16.192 ( 7.888 -0.000 0.028) 7.888 16.489 ( 6.006 -0.000 -0.162) 6.008 22.582 ( 0.281 -0.000 -0.186) 0.336 22.615 ( -0.153 0.000 0.214) 0.263 24.232 ( -1.021 0.000 0.147) 1.032 24.656 ( -0.127 0.000 5.254) 5.255 24.715 ( -12.547 0.000 -0.193) 12.549 25.071 ( 1.149 -0.000 -8.126) 8.206 25.366 ( 3.835 -0.000 4.081) 5.600 25.744 ( 9.290 -0.000 -1.576) 9.422 110.431 ( -0.122 0.000 -0.000) 0.122 110.444 ( -0.547 0.000 -0.000) 0.547 ======================= Grid point 126 (56/78) ======================= q-point: (-0.12 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -12.500 -3.267 1.672) 13.028 1.028 ( -17.235 -3.215 4.574) 18.119 1.364 ( -2.073 3.401 -3.302) 5.174 1.485 ( -9.197 0.346 6.832) 11.462 1.549 ( 2.542 -2.319 -1.853) 3.908 1.672 ( -4.501 0.575 -5.801) 7.365 1.759 ( -11.238 -1.308 -5.197) 12.451 1.817 ( -5.079 -0.560 1.701) 5.385 1.882 ( -9.244 -5.246 -3.749) 11.271 1.963 ( 3.412 0.476 -3.575) 4.965 2.101 ( -10.916 0.116 3.204) 11.377 2.149 ( -5.034 2.423 2.824) 6.260 2.199 ( -2.904 0.246 4.276) 5.175 2.249 ( 5.921 2.343 -3.098) 7.082 2.321 ( 0.553 -1.490 2.239) 2.746 2.402 ( 7.753 -0.115 3.860) 8.662 2.502 ( 3.235 3.309 -2.291) 5.163 2.628 ( 0.709 -3.160 0.248) 3.248 2.674 ( 7.484 1.466 -4.224) 8.718 2.778 ( 0.672 -0.158 0.678) 0.968 2.855 ( 2.742 -1.817 -3.198) 4.588 2.911 ( 1.688 -4.904 9.162) 10.528 2.973 ( 1.448 1.339 2.465) 3.157 3.056 ( -4.462 2.798 -2.026) 5.643 3.119 ( -3.545 -1.412 0.726) 3.884 3.255 ( 2.006 1.336 -0.679) 2.505 3.268 ( 0.373 -1.155 1.399) 1.852 3.368 ( -2.101 -0.277 -1.758) 2.753 3.523 ( -3.465 2.353 -0.034) 4.189 3.625 ( -6.222 -1.041 -3.852) 7.392 3.917 ( 0.642 -1.892 5.668) 6.009 4.045 ( -0.088 -0.870 -3.801) 3.900 4.145 ( -2.106 -1.355 2.429) 3.489 4.394 ( 0.784 1.873 -0.787) 2.177 4.441 ( 1.399 -0.710 -0.204) 1.582 4.522 ( 1.759 -1.193 2.007) 2.923 4.699 ( 2.284 -0.517 -4.687) 5.239 4.954 ( -0.924 0.181 1.052) 1.412 4.974 ( 1.242 0.402 -0.054) 1.306 5.003 ( -0.193 -1.371 -0.754) 1.577 5.145 ( -5.455 0.337 1.975) 5.812 5.453 ( 1.004 0.025 3.672) 3.807 5.582 ( 4.505 0.129 -1.759) 4.838 5.650 ( 8.302 -0.253 -10.335) 13.259 6.048 ( 5.614 3.972 11.388) 13.303 6.351 ( -2.114 0.431 1.298) 2.518 6.426 ( -1.179 -3.847 2.497) 4.736 7.078 ( 4.878 6.939 -6.664) 10.787 9.870 ( 0.099 0.203 -2.962) 2.971 10.021 ( -4.353 0.826 1.550) 4.694 10.208 ( 2.230 -1.875 -0.084) 2.914 10.623 ( 1.623 0.427 -0.748) 1.838 13.299 ( 0.889 -0.332 0.330) 1.004 13.572 ( -2.020 0.343 3.114) 3.728 13.759 ( 2.428 1.353 -3.442) 4.424 13.787 ( -1.315 2.241 -0.226) 2.608 13.932 ( 2.376 -3.555 1.029) 4.398 14.083 ( 1.076 -0.145 -1.093) 1.540 14.148 ( -5.637 -1.631 -1.782) 6.133 14.656 ( 5.082 3.352 4.955) 7.849 16.280 ( 2.958 1.336 -0.019) 3.246 16.551 ( 2.331 2.252 -0.336) 3.259 22.583 ( -0.029 0.127 0.009) 0.131 22.607 ( -0.570 0.219 0.034) 0.611 24.238 ( -0.370 -3.407 0.009) 3.427 24.514 ( -9.695 0.174 -0.071) 9.697 24.690 ( 0.688 -0.204 7.096) 7.132 25.027 ( -3.103 -1.583 -6.610) 7.471 25.472 ( 6.293 1.334 4.415) 7.802 25.835 ( 4.759 3.396 -5.427) 7.977 110.428 ( -0.126 0.087 -0.000) 0.154 110.436 ( -0.439 -0.245 -0.000) 0.502 ======================= Grid point 134 (57/78) ======================= q-point: (-0.12 -0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( -16.266 0.000 3.728) 16.688 0.722 ( -18.963 0.000 7.160) 20.270 1.225 ( -26.231 0.000 6.459) 27.015 1.324 ( -11.281 0.000 2.596) 11.575 1.396 ( -6.004 0.000 -6.283) 8.690 1.566 ( 1.569 -0.000 -3.266) 3.624 1.660 ( 1.640 -0.000 -3.380) 3.756 1.665 ( -7.516 0.000 -2.807) 8.023 1.815 ( -1.250 0.000 -0.872) 1.524 1.938 ( -8.503 0.000 1.235) 8.592 2.004 ( 2.936 -0.000 -3.185) 4.332 2.088 ( -5.123 0.000 3.470) 6.187 2.215 ( 0.018 -0.000 2.717) 2.717 2.328 ( 2.095 -0.000 -2.234) 3.062 2.371 ( 3.791 -0.000 1.317) 4.013 2.541 ( 1.603 -0.000 2.789) 3.217 2.553 ( 5.193 -0.000 -1.210) 5.332 2.596 ( 1.195 -0.000 -0.404) 1.262 2.781 ( 3.744 -0.000 0.847) 3.839 2.827 ( 4.820 -0.000 -2.031) 5.230 2.839 ( -4.215 0.000 -1.011) 4.335 2.932 ( 0.547 -0.000 -8.075) 8.094 2.987 ( 2.003 -0.000 8.281) 8.519 3.071 ( -2.282 0.000 1.745) 2.873 3.073 ( 2.484 -0.000 3.325) 4.150 3.229 ( -4.128 0.000 0.403) 4.147 3.311 ( -2.263 0.000 0.195) 2.271 3.320 ( 2.388 -0.000 1.328) 2.733 3.467 ( -3.419 0.000 0.411) 3.443 3.484 ( -6.349 0.000 -0.479) 6.367 3.933 ( 1.026 -0.000 3.143) 3.306 4.042 ( -0.062 0.000 -2.307) 2.307 4.115 ( -0.887 0.000 7.603) 7.655 4.357 ( -2.363 0.000 -1.446) 2.770 4.514 ( 3.879 -0.000 -0.635) 3.930 4.542 ( 0.944 -0.000 0.873) 1.286 4.710 ( 0.757 -0.000 -2.326) 2.446 4.913 ( -3.197 0.000 -0.158) 3.201 4.968 ( -1.075 0.000 -1.286) 1.676 4.994 ( 0.180 -0.000 -2.104) 2.111 5.106 ( -1.068 0.000 2.217) 2.460 5.503 ( 2.657 -0.000 7.795) 8.236 5.668 ( 5.632 -0.000 -0.461) 5.651 5.728 ( 7.132 -0.000 -15.979) 17.499 6.226 ( 4.515 -0.000 5.032) 6.761 6.311 ( -2.671 0.000 -0.032) 2.671 6.405 ( -1.382 0.000 13.587) 13.657 7.149 ( 2.993 -0.000 -14.716) 15.018 9.859 ( -0.332 0.000 -0.952) 1.008 9.948 ( -5.237 0.000 1.174) 5.367 10.241 ( 2.143 -0.000 1.575) 2.660 10.644 ( 1.311 -0.000 -2.026) 2.413 13.313 ( 0.656 -0.000 1.119) 1.297 13.582 ( 0.974 -0.000 7.424) 7.488 13.766 ( -2.344 0.000 -0.763) 2.465 13.825 ( 5.009 -0.000 -3.297) 5.997 13.932 ( 1.593 -0.000 -3.182) 3.559 14.047 ( -4.487 0.000 0.013) 4.487 14.093 ( 0.349 -0.000 0.327) 0.478 14.794 ( 5.348 -0.000 6.089) 8.104 16.316 ( 0.313 -0.000 0.007) 0.313 16.585 ( -0.014 0.000 -1.944) 1.944 22.582 ( -0.176 0.000 0.272) 0.324 22.596 ( -0.789 0.000 -0.167) 0.806 24.203 ( -0.760 0.000 0.040) 0.761 24.359 ( -7.719 0.000 -0.022) 7.719 24.749 ( 2.001 -0.000 6.269) 6.581 24.941 ( -2.819 0.000 2.258) 3.612 25.627 ( 7.598 -0.000 2.352) 7.953 25.856 ( -0.907 0.000 -11.785) 11.820 110.426 ( -0.448 0.000 0.000) 0.448 110.428 ( -0.024 0.000 -0.000) 0.024 ======================= Grid point 135 (58/78) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( 0.000 -0.000 0.000) 0.000 0.827 ( 0.000 -0.000 0.000) 0.000 0.912 ( 0.000 -0.000 -0.000) 0.000 0.929 ( -0.000 0.000 0.000) 0.000 1.426 ( 0.000 -0.000 0.000) 0.000 1.610 ( -0.000 0.000 0.000) 0.000 1.624 ( 0.000 -0.000 -0.000) 0.000 1.625 ( -0.000 0.000 0.000) 0.000 1.648 ( 0.000 -0.000 0.000) 0.000 1.720 ( -0.000 0.000 -0.000) 0.000 1.852 ( 0.000 -0.000 0.000) 0.000 2.092 ( 0.000 -0.000 0.000) 0.000 2.177 ( -0.000 0.000 0.000) 0.000 2.195 ( 0.000 -0.000 0.000) 0.000 2.248 ( 0.000 -0.000 0.000) 0.000 2.446 ( 0.000 -0.000 0.000) 0.000 2.475 ( 0.000 -0.000 0.000) 0.000 2.730 ( -0.000 0.000 0.000) 0.000 2.820 ( -0.000 0.000 0.000) 0.000 2.884 ( -0.000 0.000 0.000) 0.000 2.957 ( 0.000 -0.000 0.000) 0.000 3.016 ( 0.000 -0.000 0.000) 0.000 3.025 ( 0.000 -0.000 -0.000) 0.000 3.040 ( 0.000 -0.000 0.000) 0.000 3.058 ( 0.000 -0.000 -0.000) 0.000 3.078 ( -0.000 0.000 0.000) 0.000 3.340 ( -0.000 0.000 0.000) 0.000 3.364 ( -0.000 0.000 0.000) 0.000 3.395 ( 0.000 -0.000 0.000) 0.000 3.689 ( 0.000 -0.000 0.000) 0.000 3.896 ( 0.000 -0.000 0.000) 0.000 4.056 ( -0.000 0.000 0.000) 0.000 4.359 ( -0.000 0.000 0.000) 0.000 4.440 ( 0.000 -0.000 0.000) 0.000 4.503 ( -0.000 0.000 0.000) 0.000 4.593 ( -0.000 0.000 0.000) 0.000 4.627 ( 0.000 -0.000 0.000) 0.000 4.856 ( 0.000 -0.000 0.000) 0.000 4.919 ( 0.000 -0.000 0.000) 0.000 4.992 ( 0.000 -0.000 -0.000) 0.000 4.996 ( -0.000 0.000 0.000) 0.000 5.157 ( -0.000 0.000 0.000) 0.000 5.764 ( -0.000 0.000 0.000) 0.000 5.791 ( -0.000 0.000 0.000) 0.000 6.244 ( -0.000 0.000 0.000) 0.000 6.244 ( -0.000 0.000 0.000) 0.000 6.793 ( 0.000 -0.000 0.000) 0.000 6.982 ( 0.000 -0.000 0.000) 0.000 9.757 ( 0.000 -0.000 0.000) 0.000 9.913 ( -0.000 0.000 0.000) 0.000 10.339 ( 0.000 -0.000 0.000) 0.000 10.601 ( 0.000 -0.000 0.000) 0.000 13.391 ( -0.000 0.000 0.000) 0.000 13.626 ( -0.000 0.000 0.000) 0.000 13.783 ( -0.000 0.000 0.000) 0.000 13.941 ( -0.000 0.000 0.000) 0.000 14.004 ( -0.000 0.000 0.000) 0.000 14.098 ( 0.000 -0.000 0.000) 0.000 14.198 ( 0.000 -0.000 0.000) 0.000 15.068 ( 0.000 -0.000 0.000) 0.000 16.305 ( 0.000 -0.000 0.000) 0.000 16.411 ( 0.000 -0.000 0.000) 0.000 22.572 ( 0.000 -0.000 0.000) 0.000 22.588 ( -0.000 0.000 0.000) 0.000 24.183 ( -0.000 0.000 0.000) 0.000 24.231 ( 0.000 -0.000 0.000) 0.000 24.792 ( -0.000 0.000 0.000) 0.000 24.812 ( 0.000 -0.000 0.000) 0.000 25.806 ( 0.000 -0.000 0.000) 0.000 25.821 ( -0.000 0.000 0.000) 0.000 110.418 ( -0.000 0.000 0.000) 0.000 110.428 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 137 (59/78) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 8.891 -10.085 -6.457) 14.914 0.842 ( 7.176 -2.817 -15.572) 17.376 0.993 ( 4.572 -1.479 11.419) 12.389 1.054 ( 6.239 -3.376 10.915) 13.018 1.420 ( 5.099 -1.957 -9.560) 11.010 1.562 ( 0.746 -0.742 -7.971) 8.040 1.607 ( -2.865 -6.847 2.669) 7.887 1.700 ( 5.446 -3.660 -9.011) 11.147 1.726 ( 6.133 -0.423 -2.342) 6.579 1.864 ( 3.133 0.466 2.084) 3.792 1.952 ( 10.333 -1.658 11.537) 15.576 2.079 ( -2.027 -3.004 -1.178) 3.811 2.121 ( 0.674 6.643 3.894) 7.730 2.256 ( -0.023 -1.291 3.098) 3.356 2.289 ( 3.874 -1.124 4.555) 6.084 2.417 ( -1.533 1.454 0.320) 2.137 2.499 ( 0.095 -3.278 2.173) 3.934 2.729 ( -0.605 -0.710 -0.971) 1.347 2.748 ( -5.684 2.000 1.668) 6.253 2.843 ( -3.928 2.912 -4.208) 6.451 2.909 ( -1.222 -3.295 -2.130) 4.109 2.980 ( -5.637 0.104 1.579) 5.855 2.999 ( 0.707 4.155 1.228) 4.390 3.089 ( 3.181 -1.595 -0.875) 3.665 3.095 ( 2.319 0.779 1.154) 2.705 3.130 ( 4.334 -1.059 -0.021) 4.462 3.333 ( 0.969 2.197 -1.280) 2.721 3.381 ( 0.438 -0.370 0.135) 0.589 3.404 ( 1.135 -0.372 -0.912) 1.503 3.697 ( 0.361 -2.102 -5.864) 6.240 3.880 ( -0.002 2.700 3.392) 4.335 4.063 ( 1.188 0.036 -2.205) 2.505 4.343 ( -0.868 0.620 -0.805) 1.337 4.407 ( -6.063 0.016 -2.768) 6.665 4.466 ( -1.505 3.324 1.958) 4.141 4.548 ( -0.445 -2.106 0.622) 2.240 4.677 ( 0.622 -0.088 1.008) 1.188 4.868 ( 1.536 0.125 0.073) 1.543 4.878 ( -0.129 -0.239 2.901) 2.914 4.939 ( -0.043 -1.935 1.206) 2.280 5.148 ( 0.094 0.965 -0.700) 1.196 5.252 ( 11.971 1.744 8.992) 15.073 5.694 ( -5.516 1.332 -1.547) 5.881 5.753 ( -3.720 -0.012 -0.091) 3.722 6.260 ( -0.043 -0.370 -0.087) 0.382 6.271 ( 1.914 -1.373 0.029) 2.356 6.793 ( 1.815 0.726 0.428) 2.001 6.874 ( -6.482 5.445 -5.388) 10.034 9.788 ( 3.500 1.267 0.718) 3.791 9.935 ( 2.693 0.179 -1.207) 2.957 10.325 ( -0.944 0.790 -1.725) 2.119 10.593 ( -0.879 0.327 1.451) 1.728 13.372 ( -0.555 1.309 -1.237) 1.885 13.645 ( 1.638 0.433 1.665) 2.376 13.763 ( -3.659 -0.432 2.740) 4.592 13.917 ( -4.056 -1.010 -0.052) 4.180 14.009 ( -0.853 1.535 -2.288) 2.884 14.035 ( -3.523 -1.535 -1.847) 4.264 14.170 ( -0.402 -1.196 -4.175) 4.362 14.926 ( -7.241 9.153 1.007) 11.715 16.283 ( 1.333 4.764 0.075) 4.947 16.453 ( 4.235 1.852 1.033) 4.737 22.577 ( 0.443 0.041 0.216) 0.495 22.586 ( 0.270 0.445 -0.243) 0.574 24.205 ( 1.387 -1.762 0.167) 2.248 24.302 ( 2.025 -7.139 0.069) 7.421 24.717 ( -2.446 -0.856 2.700) 3.743 25.024 ( 11.378 -1.274 4.340) 12.244 25.611 ( -8.976 6.432 -3.945) 11.726 25.820 ( -0.584 3.934 -3.592) 5.359 110.420 ( 0.214 -0.016 0.000) 0.214 110.430 ( 0.018 -0.362 0.003) 0.362 ======================= Grid point 138 (60/78) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 8.827 -7.835 -5.579) 13.055 1.004 ( 13.390 -4.791 -8.073) 16.353 1.148 ( 3.351 -1.710 7.840) 8.696 1.273 ( 7.876 -5.327 7.616) 12.182 1.523 ( 0.255 -2.344 6.776) 7.175 1.589 ( 4.200 -3.399 -5.277) 7.553 1.721 ( 6.340 -6.219 -3.409) 9.513 1.763 ( 3.340 -2.305 -7.004) 8.095 1.839 ( 4.617 -3.359 -4.348) 7.177 1.931 ( 6.178 1.576 -0.832) 6.430 2.043 ( 2.677 0.346 -2.122) 3.434 2.083 ( 1.569 2.757 0.399) 3.197 2.152 ( 2.464 -0.725 -0.013) 2.568 2.232 ( 0.861 4.078 -1.228) 4.346 2.396 ( -2.188 -2.420 -0.229) 3.270 2.462 ( 5.671 -0.892 13.646) 14.804 2.562 ( -0.934 -2.524 3.627) 4.517 2.629 ( -5.657 0.396 0.057) 5.672 2.667 ( -3.899 3.302 -2.777) 5.816 2.782 ( 1.590 -1.483 -2.302) 3.166 2.897 ( -5.617 -1.976 2.984) 6.660 2.934 ( -0.870 -4.276 -1.314) 4.557 2.967 ( 0.466 4.577 1.278) 4.775 3.118 ( 1.470 1.303 0.164) 1.972 3.127 ( 1.175 0.519 -2.770) 3.053 3.204 ( 3.952 2.171 1.987) 4.927 3.320 ( 1.379 0.003 -2.232) 2.623 3.364 ( -1.732 -0.581 -0.494) 1.893 3.436 ( 2.647 1.472 -0.034) 3.029 3.657 ( -3.435 -2.008 -7.700) 8.668 3.898 ( 2.226 1.153 5.026) 5.616 4.072 ( 1.653 -0.092 -3.980) 4.310 4.274 ( -3.895 1.185 -4.102) 5.779 4.347 ( 0.254 -0.727 1.552) 1.732 4.418 ( -3.376 0.040 3.916) 5.171 4.565 ( -0.973 -0.723 1.900) 2.254 4.682 ( -0.726 -0.898 0.726) 1.364 4.907 ( 3.320 0.323 0.582) 3.386 4.945 ( 3.450 0.680 0.776) 3.601 4.962 ( 1.257 -1.094 -0.138) 1.673 5.139 ( 1.498 1.007 -1.285) 2.215 5.384 ( 1.364 2.876 9.849) 10.351 5.597 ( -2.617 0.505 -2.498) 3.653 5.680 ( -5.210 -1.045 0.118) 5.315 6.218 ( -2.333 2.274 -0.981) 3.402 6.340 ( 2.973 -2.570 0.686) 3.989 6.627 ( -8.498 8.501 -6.142) 13.499 6.841 ( 2.351 0.678 2.612) 3.579 9.820 ( 2.253 2.256 -0.166) 3.193 9.985 ( 3.924 -0.344 -1.653) 4.272 10.279 ( -0.812 1.740 -2.707) 3.319 10.586 ( -0.965 -0.236 2.254) 2.463 13.341 ( -0.497 1.445 -0.927) 1.787 13.669 ( 1.612 1.297 -1.484) 2.546 13.704 ( -4.428 -0.600 2.379) 5.062 13.819 ( -6.303 -1.546 -2.412) 6.923 13.962 ( -1.424 -1.958 1.047) 2.638 14.073 ( 3.730 -0.012 -1.272) 3.941 14.173 ( 0.251 -2.421 -2.717) 3.648 14.715 ( -6.073 8.406 2.238) 10.609 16.248 ( 1.799 5.805 0.094) 6.078 16.484 ( 2.942 4.195 0.704) 5.172 22.580 ( 0.112 0.389 0.017) 0.405 22.592 ( 0.819 0.167 -0.013) 0.836 24.260 ( 1.880 -2.222 0.264) 2.923 24.429 ( 2.635 -7.063 0.473) 7.553 24.731 ( -0.170 -0.711 4.919) 4.973 25.117 ( -1.808 -0.435 -7.418) 7.647 25.485 ( 4.034 5.616 4.748) 8.387 25.709 ( -3.605 4.581 -3.297) 6.697 110.424 ( 0.210 -0.025 0.002) 0.211 110.437 ( 0.109 -0.487 0.004) 0.499 ======================= Grid point 139 (61/78) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 6.118 -5.241 -1.894) 8.275 1.228 ( 1.498 -1.298 3.377) 3.916 1.287 ( 14.654 -6.190 -3.517) 16.292 1.470 ( 3.928 -4.741 4.104) 7.399 1.574 ( 0.391 -2.252 4.110) 4.703 1.656 ( 1.338 -0.411 1.228) 1.862 1.756 ( 0.766 -1.056 -5.156) 5.319 1.816 ( -3.045 2.571 3.179) 5.098 1.875 ( 0.559 3.096 -3.013) 4.356 1.988 ( 2.977 -0.411 -2.574) 3.957 2.119 ( 6.856 1.761 0.829) 7.127 2.130 ( 3.831 -1.853 0.800) 4.331 2.207 ( 6.241 0.664 -3.079) 6.991 2.272 ( 6.092 -1.712 -4.105) 7.542 2.381 ( -2.432 -2.341 0.788) 3.466 2.468 ( -4.677 -0.182 0.899) 4.766 2.485 ( -4.594 2.886 -2.225) 5.864 2.552 ( -5.875 -0.704 -0.664) 5.955 2.661 ( 1.064 -2.210 3.033) 3.901 2.828 ( -1.028 0.416 -3.670) 3.834 2.851 ( -4.739 -1.643 2.626) 5.662 2.947 ( 0.615 1.730 -0.085) 1.838 2.966 ( 5.221 -1.847 1.332) 5.696 3.111 ( -0.154 -0.020 -2.474) 2.479 3.123 ( 1.673 2.665 1.333) 3.418 3.214 ( 0.446 1.425 0.907) 1.747 3.325 ( -3.503 -1.094 -2.020) 4.189 3.381 ( 0.398 -1.165 0.022) 1.231 3.451 ( 2.061 2.470 0.280) 3.229 3.625 ( 1.393 -2.792 0.649) 3.187 3.978 ( 4.581 -1.155 3.711) 6.007 4.066 ( -0.105 0.416 -3.291) 3.318 4.186 ( -3.435 1.257 -1.839) 4.094 4.392 ( 0.196 -1.702 0.395) 1.758 4.398 ( 0.163 0.273 3.210) 3.225 4.548 ( -1.892 0.358 1.281) 2.313 4.684 ( -0.814 -1.615 -0.120) 1.812 4.944 ( -0.210 -0.277 1.616) 1.653 4.976 ( 1.462 -0.060 -1.319) 1.970 5.001 ( 3.708 1.928 0.619) 4.225 5.172 ( 3.745 0.470 -1.971) 4.259 5.375 ( -3.162 0.770 5.687) 6.552 5.554 ( -1.404 0.226 -1.583) 2.128 5.617 ( -3.405 -1.157 -0.043) 3.597 6.159 ( -0.438 0.267 -3.943) 3.977 6.366 ( -7.377 8.410 -1.014) 11.233 6.421 ( 1.743 -2.042 2.262) 3.510 6.857 ( 0.567 1.596 -0.002) 1.694 9.825 ( 1.047 1.065 -0.236) 1.512 10.043 ( 2.789 -0.178 -0.908) 2.939 10.243 ( -0.177 1.128 -1.544) 1.921 10.584 ( -0.732 -0.265 1.429) 1.627 13.316 ( -0.320 0.996 -0.500) 1.159 13.645 ( -1.853 -0.779 -0.692) 2.126 13.678 ( 0.468 1.550 -1.816) 2.433 13.752 ( -3.169 -1.459 0.326) 3.504 13.986 ( -0.395 -2.017 3.253) 3.847 14.103 ( 1.569 1.777 -1.329) 2.718 14.235 ( 3.576 -5.109 -2.129) 6.589 14.543 ( -5.515 6.672 1.975) 8.878 16.215 ( 1.164 3.991 0.018) 4.158 16.475 ( 1.232 3.188 0.171) 3.422 22.577 ( 0.092 0.257 -0.035) 0.276 22.602 ( 0.520 0.086 0.046) 0.529 24.311 ( 1.286 -1.417 0.179) 1.922 24.543 ( 2.360 -4.100 0.474) 4.755 24.756 ( -0.556 -0.183 4.472) 4.510 25.033 ( -1.679 -0.046 -7.055) 7.252 25.528 ( 0.872 0.947 -2.593) 2.894 25.605 ( -0.374 4.728 4.385) 6.459 110.427 ( 0.102 -0.035 0.001) 0.108 110.444 ( 0.122 -0.318 0.002) 0.341 ======================= Grid point 140 (62/78) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -0.000 0.000 0.000) 0.000 1.263 ( -0.000 -0.000 0.000) 0.000 1.487 ( -0.000 0.000 0.000) 0.000 1.576 ( 0.000 -0.000 0.000) 0.000 1.596 ( -0.000 0.000 -0.000) 0.000 1.665 ( -0.000 0.000 -0.000) 0.000 1.712 ( -0.000 0.000 0.000) 0.000 1.760 ( -0.000 -0.000 -0.000) 0.000 1.826 ( -0.000 0.000 0.000) 0.000 2.019 ( -0.000 -0.000 0.000) 0.000 2.169 ( -0.000 0.000 0.000) 0.000 2.198 ( 0.000 0.000 -0.000) 0.000 2.284 ( -0.000 -0.000 -0.000) 0.000 2.304 ( 0.000 -0.000 0.000) 0.000 2.383 ( -0.000 -0.000 0.000) 0.000 2.407 ( -0.000 0.000 -0.000) 0.000 2.422 ( -0.000 0.000 0.000) 0.000 2.522 ( -0.000 0.000 -0.000) 0.000 2.689 ( -0.000 0.000 0.000) 0.000 2.769 ( 0.000 0.000 -0.000) 0.000 2.817 ( -0.000 -0.000 0.000) 0.000 2.940 ( -0.000 0.000 -0.000) 0.000 3.078 ( 0.000 -0.000 0.000) 0.000 3.093 ( -0.000 0.000 0.000) 0.000 3.145 ( -0.000 -0.000 -0.000) 0.000 3.214 ( -0.000 0.000 0.000) 0.000 3.254 ( -0.000 0.000 0.000) 0.000 3.375 ( -0.000 -0.000 0.000) 0.000 3.449 ( -0.000 0.000 0.000) 0.000 3.695 ( -0.000 0.000 0.000) 0.000 4.048 ( 0.000 0.000 -0.000) 0.000 4.092 ( 0.000 -0.000 0.000) 0.000 4.096 ( -0.000 0.000 -0.000) 0.000 4.382 ( -0.000 0.000 -0.000) 0.000 4.429 ( -0.000 0.000 0.000) 0.000 4.528 ( -0.000 0.000 0.000) 0.000 4.688 ( -0.000 0.000 0.000) 0.000 4.958 ( -0.000 0.000 -0.000) 0.000 4.963 ( -0.000 -0.000 0.000) 0.000 5.036 ( -0.000 0.000 0.000) 0.000 5.204 ( -0.000 0.000 0.000) 0.000 5.350 ( -0.000 -0.000 0.000) 0.000 5.534 ( -0.000 0.000 0.000) 0.000 5.596 ( -0.000 0.000 -0.000) 0.000 6.176 ( -0.000 -0.000 -0.000) 0.000 6.209 ( -0.000 0.000 0.000) 0.000 6.458 ( -0.000 0.000 0.000) 0.000 6.847 ( -0.000 0.000 0.000) 0.000 9.828 ( -0.000 0.000 0.000) 0.000 10.066 ( -0.000 0.000 0.000) 0.000 10.231 ( -0.000 0.000 0.000) 0.000 10.583 ( -0.000 0.000 0.000) 0.000 13.305 ( -0.000 0.000 0.000) 0.000 13.633 ( -0.000 -0.000 0.000) 0.000 13.664 ( -0.000 0.000 -0.000) 0.000 13.737 ( 0.000 0.000 -0.000) 0.000 14.007 ( -0.000 0.000 0.000) 0.000 14.097 ( -0.000 0.000 -0.000) 0.000 14.342 ( 0.000 -0.000 -0.000) 0.000 14.415 ( -0.000 0.000 0.000) 0.000 16.201 ( -0.000 0.000 0.000) 0.000 16.466 ( -0.000 0.000 0.000) 0.000 22.576 ( -0.000 0.000 0.000) 0.000 22.606 ( -0.000 0.000 0.000) 0.000 24.331 ( -0.000 -0.000 0.000) 0.000 24.591 ( -0.000 0.000 0.000) 0.000 24.762 ( -0.000 0.000 0.000) 0.000 25.004 ( -0.000 0.000 0.000) 0.000 25.498 ( -0.000 0.000 -0.000) 0.000 25.606 ( -0.000 -0.000 0.000) 0.000 110.428 ( -0.000 0.000 0.000) 0.000 110.447 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 146 (63/78) ======================= q-point: ( 0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 13.758 -0.000 -7.239) 15.546 0.952 ( 14.621 -0.000 -12.623) 19.317 1.145 ( 5.875 -0.000 12.439) 13.757 1.170 ( 4.552 -0.000 11.565) 12.429 1.518 ( -3.055 0.000 5.816) 6.570 1.551 ( 16.023 -0.000 -16.007) 22.648 1.588 ( 5.116 -0.000 2.159) 5.553 1.725 ( 5.635 -0.000 -9.934) 11.421 1.821 ( 5.594 -0.000 -2.293) 6.045 1.970 ( 9.250 -0.000 -2.038) 9.472 2.000 ( -2.652 0.000 -3.369) 4.288 2.135 ( 6.345 -0.000 1.092) 6.438 2.211 ( -1.145 0.000 3.727) 3.899 2.234 ( 0.045 -0.000 4.415) 4.415 2.400 ( -0.512 0.000 3.503) 3.540 2.467 ( -1.385 0.000 3.416) 3.687 2.476 ( 7.127 -0.000 8.438) 11.045 2.641 ( -8.340 0.000 0.488) 8.354 2.736 ( 3.674 -0.000 1.336) 3.910 2.746 ( -7.091 0.000 -1.907) 7.343 2.858 ( -6.646 0.000 0.649) 6.677 2.872 ( 0.680 -0.000 -3.299) 3.369 3.031 ( -1.199 0.000 2.752) 3.001 3.116 ( 2.791 -0.000 -1.936) 3.396 3.177 ( 3.321 -0.000 -3.293) 4.677 3.208 ( 4.662 -0.000 2.241) 5.173 3.343 ( -3.745 0.000 -1.150) 3.918 3.350 ( 0.670 -0.000 -2.489) 2.578 3.457 ( 4.222 -0.000 0.456) 4.246 3.627 ( -2.849 0.000 -9.017) 9.456 3.907 ( -0.286 0.000 4.237) 4.246 4.070 ( 1.007 -0.000 -3.505) 3.647 4.285 ( -3.600 0.000 -6.441) 7.378 4.337 ( 0.422 -0.000 0.108) 0.436 4.430 ( -6.611 0.000 6.805) 9.488 4.541 ( 0.477 -0.000 0.890) 1.009 4.672 ( -1.019 0.000 0.461) 1.118 4.909 ( 3.109 -0.000 0.189) 3.114 4.942 ( 0.019 -0.000 1.813) 1.813 4.958 ( 6.553 -0.000 -0.366) 6.563 5.153 ( 0.933 -0.000 -1.316) 1.613 5.415 ( -1.340 0.000 11.598) 11.675 5.603 ( -3.223 0.000 -2.994) 4.399 5.664 ( -5.775 0.000 -0.164) 5.777 6.262 ( -0.794 0.000 -0.127) 0.805 6.309 ( 2.722 -0.000 0.059) 2.723 6.731 ( -9.858 0.000 -6.254) 11.675 6.852 ( 3.642 -0.000 4.024) 5.428 9.857 ( 2.338 -0.000 -0.165) 2.344 9.984 ( 3.940 -0.000 -1.834) 4.346 10.298 ( -1.720 0.000 -2.737) 3.233 10.579 ( -1.800 0.000 2.865) 3.383 13.354 ( -1.143 0.000 -2.043) 2.341 13.690 ( -5.498 0.000 1.682) 5.749 13.703 ( 2.858 -0.000 3.697) 4.673 13.799 ( -6.206 0.000 -3.313) 7.035 13.924 ( -1.951 0.000 -1.840) 2.682 14.074 ( 4.421 -0.000 -1.684) 4.731 14.141 ( -0.121 0.000 -3.792) 3.794 14.838 ( -8.812 0.000 2.250) 9.095 16.316 ( -0.337 0.000 -0.001) 0.337 16.540 ( 2.494 -0.000 1.373) 2.847 22.584 ( 0.045 -0.000 0.175) 0.181 22.596 ( 0.791 -0.000 -0.144) 0.804 24.201 ( 0.666 -0.000 0.139) 0.681 24.361 ( 7.847 -0.000 -0.179) 7.850 24.721 ( 0.345 -0.000 4.389) 4.402 25.111 ( -0.703 0.000 -6.334) 6.372 25.567 ( -0.546 0.000 6.138) 6.162 25.766 ( -4.557 0.000 -4.331) 6.287 110.426 ( 0.448 -0.000 -0.000) 0.448 110.428 ( 0.024 -0.000 -0.000) 0.024 ======================= Grid point 147 (64/78) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 10.751 -2.215 -4.011) 11.687 1.182 ( 15.902 -2.742 -8.105) 18.058 1.251 ( 3.330 2.667 6.490) 7.766 1.337 ( 3.619 -4.945 9.357) 11.185 1.535 ( 0.998 -1.192 5.675) 5.884 1.635 ( 2.891 -0.860 3.461) 4.591 1.768 ( 3.689 0.008 -6.868) 7.797 1.836 ( 6.841 2.123 -1.540) 7.327 1.896 ( 10.865 -1.529 -5.825) 12.422 1.962 ( 0.696 -2.193 -3.729) 4.381 2.152 ( 7.848 1.372 0.369) 7.976 2.167 ( 0.653 3.399 3.204) 4.717 2.199 ( 3.716 -0.146 -2.454) 4.455 2.260 ( 1.620 -1.022 -0.940) 2.134 2.352 ( -0.732 1.530 -0.792) 1.872 2.462 ( -7.981 -2.086 1.055) 8.316 2.487 ( -7.411 -0.433 -0.118) 7.425 2.578 ( 0.960 -2.583 4.276) 5.087 2.608 ( -5.122 2.283 -0.796) 5.664 2.780 ( -4.962 -2.436 2.262) 5.973 2.854 ( 2.005 1.815 -3.572) 4.480 2.931 ( 7.602 -1.749 4.933) 9.229 3.010 ( -0.139 1.817 1.244) 2.206 3.137 ( -0.079 1.490 -4.868) 5.092 3.157 ( 1.053 0.511 -3.584) 3.770 3.262 ( -2.288 1.593 -0.861) 2.918 3.289 ( 0.100 -1.312 -0.891) 1.589 3.344 ( -0.091 -1.102 -0.092) 1.109 3.517 ( 3.379 2.189 0.296) 4.037 3.574 ( 1.244 -1.270 -0.990) 2.035 3.936 ( 0.072 -1.912 4.507) 4.897 4.065 ( 1.027 -0.228 -5.497) 5.596 4.202 ( -4.686 0.322 -1.007) 4.804 4.366 ( 1.522 -0.376 1.426) 2.119 4.392 ( -0.787 -0.532 3.188) 3.327 4.545 ( -0.596 -0.409 -0.043) 0.724 4.654 ( -0.983 -0.736 -0.775) 1.452 4.935 ( -1.831 -0.319 1.890) 2.650 4.968 ( 2.918 -0.179 -0.344) 2.944 5.038 ( 3.640 0.860 -2.547) 4.525 5.183 ( 3.536 0.272 -0.840) 3.644 5.373 ( -7.372 -0.410 8.305) 11.113 5.558 ( -1.801 0.495 -1.682) 2.514 5.585 ( -3.134 -1.485 -0.574) 3.516 6.205 ( -2.960 2.448 -2.758) 4.728 6.366 ( 2.547 -1.807 0.026) 3.123 6.513 ( -10.130 3.201 -2.195) 10.848 6.917 ( 2.161 2.322 4.175) 5.244 9.861 ( 0.484 1.460 -1.616) 2.231 10.045 ( 3.498 0.175 -0.655) 3.564 10.247 ( -2.329 -0.381 -3.257) 4.022 10.570 ( -1.613 -0.617 3.537) 3.936 13.324 ( -1.323 -0.098 -1.588) 2.069 13.626 ( -2.625 -0.471 1.059) 2.870 13.708 ( -2.739 0.397 -1.807) 3.306 13.763 ( 2.880 1.996 2.164) 4.118 13.923 ( 0.004 -2.708 1.022) 2.895 14.116 ( -0.868 -0.476 -3.560) 3.695 14.158 ( 5.418 -1.275 -1.769) 5.840 14.686 ( -7.359 4.208 2.570) 8.858 16.279 ( -2.945 1.402 0.027) 3.262 16.539 ( -1.488 1.780 0.510) 2.375 22.582 ( -0.187 0.116 0.060) 0.228 22.608 ( 0.704 0.233 0.009) 0.741 24.234 ( 0.449 -3.145 0.275) 3.189 24.516 ( 9.992 0.396 -0.202) 10.002 24.748 ( -0.182 -0.323 3.868) 3.886 25.031 ( -2.100 -0.067 -7.994) 8.265 25.553 ( -3.721 0.870 -0.585) 3.866 25.686 ( -2.788 1.964 4.543) 5.680 110.428 ( 0.127 0.089 0.001) 0.155 110.436 ( 0.440 -0.244 -0.000) 0.503 ======================= Grid point 148 (65/78) ======================= q-point: ( 0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 7.641 -1.564 -1.683) 7.979 1.259 ( -0.033 1.915 3.193) 3.724 1.440 ( 8.452 -6.428 -3.317) 11.125 1.492 ( 7.503 -1.508 2.549) 8.066 1.591 ( 0.142 -0.178 5.762) 5.766 1.701 ( 1.313 1.220 3.619) 4.039 1.754 ( -0.708 3.985 -8.580) 9.486 1.786 ( -2.317 2.170 4.562) 5.558 1.915 ( -3.124 3.905 -0.834) 5.070 2.025 ( 1.567 -0.176 -2.163) 2.677 2.134 ( -1.893 -0.899 1.165) 2.397 2.212 ( 0.824 -0.527 -0.951) 1.364 2.265 ( -4.641 -0.978 0.049) 4.743 2.333 ( 2.376 1.618 0.035) 2.875 2.344 ( -0.830 -2.359 -0.178) 2.507 2.379 ( -1.387 -0.602 1.937) 2.457 2.437 ( 6.887 0.853 -4.454) 8.246 2.542 ( 3.628 0.916 1.120) 3.905 2.655 ( 0.137 -3.958 1.069) 4.102 2.734 ( -3.802 -1.759 1.319) 4.392 2.819 ( 1.054 2.164 -2.640) 3.573 2.993 ( 0.044 1.092 -1.358) 1.743 3.054 ( 2.273 0.746 -0.909) 2.559 3.087 ( 1.276 -0.081 -3.688) 3.903 3.193 ( 1.417 0.594 1.548) 2.181 3.217 ( -1.929 0.294 0.803) 2.110 3.232 ( -2.836 -1.033 -2.021) 3.633 3.364 ( 0.143 -0.060 1.057) 1.068 3.507 ( 0.285 4.255 -0.234) 4.271 3.674 ( 4.406 -1.392 2.218) 5.126 4.002 ( -0.454 -4.345 5.057) 6.683 4.059 ( 2.138 -0.273 -4.594) 5.075 4.114 ( -5.251 -0.048 -0.570) 5.282 4.378 ( 0.043 0.027 -0.531) 0.533 4.414 ( -0.866 -1.115 2.197) 2.611 4.541 ( 1.047 0.842 -1.291) 1.864 4.668 ( 1.648 -1.488 -0.934) 2.409 4.914 ( -2.666 -1.728 1.579) 3.548 4.990 ( 0.428 0.424 -2.157) 2.239 5.040 ( -0.801 0.326 -2.815) 2.945 5.217 ( -0.979 1.077 2.868) 3.216 5.318 ( -3.107 -2.419 2.908) 4.895 5.528 ( 0.250 0.241 0.058) 0.352 5.587 ( 1.642 -1.030 -0.728) 2.070 6.114 ( -1.999 -0.749 -7.233) 7.541 6.317 ( -7.740 3.961 4.382) 9.737 6.432 ( 1.307 -1.836 1.309) 2.606 6.913 ( 1.068 4.468 0.950) 4.692 9.842 ( -0.182 1.056 -1.027) 1.485 10.076 ( 0.787 0.684 0.105) 1.048 10.206 ( -2.377 -1.842 -1.938) 3.577 10.570 ( -1.186 -0.871 2.471) 2.876 13.298 ( -1.298 -0.492 -0.942) 1.677 13.618 ( -0.859 -0.806 3.107) 3.323 13.669 ( -0.498 0.266 -1.276) 1.395 13.787 ( 3.822 3.588 -0.451) 5.262 13.976 ( 1.114 -2.607 1.214) 3.084 14.079 ( -2.228 -0.971 -3.183) 4.005 14.274 ( 6.309 -2.623 -1.015) 6.908 14.525 ( -6.378 5.410 1.995) 8.598 16.196 ( -5.684 -0.316 0.039) 5.693 16.475 ( -3.911 0.647 0.073) 3.965 22.577 ( -0.311 0.037 0.078) 0.323 22.612 ( 0.211 0.380 -0.017) 0.435 24.276 ( -0.385 -3.309 0.257) 3.341 24.654 ( 8.427 4.049 -0.259) 9.353 24.759 ( 0.254 -0.254 -0.207) 0.415 24.992 ( -0.483 -1.005 -1.014) 1.508 25.472 ( -3.193 -1.473 -3.854) 5.217 25.632 ( -4.988 1.477 5.119) 7.298 110.429 ( 0.105 0.070 0.000) 0.126 110.446 ( 0.367 -0.081 -0.001) 0.375 ======================= Grid point 149 (66/78) ======================= q-point: (-0.50 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 1.120 5.305 -1.208) 5.555 1.274 ( 0.975 0.822 1.874) 2.266 1.469 ( -9.323 8.784 0.647) 12.826 1.533 ( -6.384 1.207 0.368) 6.508 1.597 ( 2.949 -0.792 -5.794) 6.549 1.629 ( 0.912 -1.814 0.648) 2.131 1.774 ( 0.876 2.014 3.849) 4.431 1.793 ( 3.270 0.098 1.300) 3.520 1.834 ( -1.467 -0.194 3.958) 4.225 2.014 ( -2.420 -0.043 -2.728) 3.647 2.070 ( -5.457 -0.518 0.687) 5.525 2.162 ( -2.039 -1.729 0.008) 2.674 2.200 ( -6.567 1.358 0.299) 6.712 2.287 ( -0.788 -0.333 -0.759) 1.144 2.417 ( 3.099 -0.897 -0.777) 3.318 2.441 ( 3.441 1.781 1.750) 4.252 2.484 ( 2.541 0.189 3.045) 3.971 2.583 ( 1.129 0.451 -1.238) 1.735 2.689 ( 0.165 0.380 -1.417) 1.477 2.753 ( 1.694 -2.261 2.052) 3.492 2.887 ( 7.955 0.710 1.994) 8.232 2.962 ( -1.708 0.300 -1.449) 2.260 3.030 ( -6.811 2.012 -1.627) 7.286 3.069 ( -0.274 0.381 -2.468) 2.513 3.111 ( 0.625 -0.424 0.741) 1.058 3.214 ( -1.053 0.690 0.518) 1.361 3.328 ( 5.696 -1.148 1.273) 5.949 3.371 ( 0.490 -0.456 0.455) 0.810 3.456 ( -0.660 2.979 -0.834) 3.163 3.684 ( -1.624 2.051 -1.891) 3.228 3.989 ( -7.317 -0.104 1.628) 7.497 4.041 ( -0.693 -1.608 -2.074) 2.714 4.136 ( 3.381 -3.052 1.349) 4.750 4.382 ( -0.363 -0.861 -1.731) 1.967 4.416 ( 0.372 -0.194 1.444) 1.503 4.545 ( 1.893 0.747 -3.231) 3.819 4.709 ( 1.963 0.053 -1.282) 2.345 4.905 ( -3.439 -3.961 1.292) 5.402 4.959 ( -2.174 0.184 -3.609) 4.217 4.993 ( -1.511 0.011 -1.519) 2.143 5.171 ( -4.355 0.458 3.921) 5.878 5.317 ( -2.913 -3.989 -1.788) 5.253 5.551 ( 1.841 0.363 0.732) 2.014 5.647 ( 4.958 1.539 0.561) 5.221 6.141 ( 3.398 -7.369 -5.275) 9.679 6.212 ( -2.824 1.572 7.202) 7.894 6.459 ( 0.258 0.675 -0.331) 0.795 6.878 ( 0.155 3.402 0.297) 3.419 9.818 ( -1.203 0.340 -0.721) 1.443 10.058 ( -1.807 1.089 0.841) 2.271 10.193 ( -1.877 -2.941 0.309) 3.503 10.572 ( -0.970 -1.240 0.485) 1.647 13.286 ( -1.015 -1.311 -0.259) 1.678 13.636 ( -0.923 -0.879 5.058) 5.216 13.674 ( 2.376 0.347 -1.499) 2.831 13.816 ( 5.157 3.736 -0.611) 6.398 13.993 ( -1.321 -1.306 -5.270) 5.588 14.063 ( 0.175 -1.073 1.718) 2.033 14.366 ( -4.443 5.596 2.024) 7.426 14.417 ( 4.904 -4.155 -1.312) 6.560 16.112 ( -7.039 -4.368 0.037) 8.284 16.409 ( -4.720 -2.301 -0.023) 5.252 22.572 ( -0.420 -0.172 0.110) 0.467 22.606 ( -0.331 0.374 -0.067) 0.504 24.293 ( -1.355 -1.885 0.119) 2.325 24.689 ( 3.818 7.058 0.324) 8.031 24.757 ( 1.008 0.267 -5.602) 5.699 25.028 ( 1.912 -0.712 5.644) 6.001 25.471 ( 0.203 -5.242 -1.507) 5.459 25.530 ( -7.850 -0.068 1.194) 7.940 110.430 ( 0.043 0.137 -0.000) 0.144 110.450 ( 0.203 0.197 -0.002) 0.283 ======================= Grid point 150 (67/78) ======================= q-point: (-0.38 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -3.656 9.281 3.099) 10.446 1.162 ( -10.882 8.230 2.144) 13.811 1.239 ( 0.645 6.649 -3.695) 7.634 1.375 ( -10.202 3.387 -1.475) 10.850 1.576 ( -1.292 1.816 -1.215) 2.539 1.649 ( -0.254 0.211 -0.155) 0.365 1.787 ( 0.643 -1.391 -2.526) 2.955 1.805 ( 0.104 3.273 3.406) 4.725 1.874 ( -2.198 -2.749 1.149) 3.702 1.959 ( -2.805 4.213 3.176) 5.976 2.010 ( -1.162 -1.711 -1.040) 2.315 2.091 ( -4.518 1.432 1.751) 5.053 2.154 ( -2.184 0.706 1.964) 3.020 2.230 ( -4.092 2.401 7.853) 9.174 2.451 ( -1.293 2.141 -3.709) 4.474 2.462 ( 3.604 -0.642 -6.454) 7.420 2.536 ( 3.834 -1.817 4.072) 5.881 2.644 ( 2.317 -0.662 -3.337) 4.116 2.654 ( -0.631 2.218 -0.205) 2.315 2.810 ( -0.341 -0.137 3.465) 3.484 2.858 ( -3.113 -1.767 0.093) 3.581 2.943 ( -0.718 0.262 -1.643) 1.812 3.000 ( 3.696 1.199 0.399) 3.906 3.089 ( 1.977 -0.354 -2.183) 2.966 3.128 ( -0.202 0.245 1.437) 1.471 3.177 ( -2.889 0.331 0.112) 2.910 3.344 ( -4.319 2.261 -1.973) 5.259 3.390 ( 1.391 1.543 1.918) 2.828 3.412 ( 1.284 0.078 -1.948) 2.334 3.689 ( 4.026 0.441 3.987) 5.683 3.867 ( -5.773 -0.927 -3.326) 6.727 4.052 ( -1.568 -1.989 2.225) 3.372 4.233 ( 3.605 -2.282 2.648) 5.022 4.354 ( -1.325 -0.183 -2.034) 2.434 4.441 ( 2.235 1.452 -0.700) 2.756 4.558 ( 1.287 -0.824 -3.510) 3.829 4.709 ( 0.081 1.139 -1.799) 2.131 4.888 ( -4.864 -4.098 0.479) 6.379 4.894 ( -3.312 -0.957 -2.151) 4.063 4.992 ( 1.542 0.759 -0.542) 1.802 5.119 ( -2.910 -0.480 2.213) 3.688 5.280 ( -6.281 -5.576 -5.628) 10.110 5.584 ( 1.817 -0.433 1.514) 2.405 5.706 ( 3.868 1.534 0.545) 4.197 6.206 ( 4.372 0.961 0.683) 4.528 6.377 ( 6.278 -12.026 5.226) 14.538 6.420 ( -0.810 3.861 -1.467) 4.209 6.840 ( -1.922 1.009 -0.757) 2.299 9.787 ( -2.044 -0.468 -0.705) 2.212 10.005 ( -3.115 1.410 1.459) 3.718 10.217 ( -0.412 -3.422 2.841) 4.467 10.569 ( -1.167 -1.839 -1.531) 2.662 13.293 ( -0.604 -2.283 0.200) 2.370 13.648 ( -1.502 -0.560 4.270) 4.561 13.724 ( 4.938 0.557 -1.878) 5.312 13.872 ( 5.850 3.114 1.516) 6.799 13.952 ( -2.031 -2.338 -4.934) 5.825 14.090 ( 1.141 1.203 1.880) 2.507 14.245 ( -3.244 3.628 0.631) 4.908 14.549 ( 4.484 -5.218 -1.184) 6.981 16.072 ( -6.407 -8.552 -0.053) 10.686 16.374 ( -4.314 -4.879 -0.127) 6.514 22.569 ( -0.432 -0.449 0.112) 0.634 22.593 ( -0.680 0.265 -0.089) 0.735 24.277 ( -1.824 -0.068 0.013) 1.825 24.637 ( 1.695 9.184 -0.660) 9.363 24.744 ( 1.283 0.295 -5.211) 5.375 25.120 ( 3.788 -0.359 8.054) 8.907 25.378 ( -10.326 -2.900 -3.803) 11.380 25.574 ( 2.308 -6.647 1.974) 7.308 110.427 ( -0.048 0.220 -0.001) 0.225 110.448 ( 0.068 0.465 -0.005) 0.470 ======================= Grid point 151 (68/78) ======================= q-point: (-0.25 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -3.846 9.225 8.793) 13.312 0.972 ( -3.253 8.951 4.431) 10.504 1.124 ( -10.240 5.228 -5.609) 12.793 1.137 ( -0.243 8.545 -5.595) 10.216 1.509 ( -2.224 3.365 -2.940) 4.991 1.621 ( -0.225 2.526 -0.027) 2.536 1.741 ( -2.458 3.850 1.544) 4.822 1.781 ( -0.357 2.493 0.572) 2.583 1.811 ( -6.671 4.292 10.676) 13.301 1.890 ( -0.157 2.670 1.128) 2.903 1.970 ( -4.575 2.806 0.923) 5.445 2.042 ( -1.020 -0.811 -2.473) 2.795 2.165 ( -0.646 -4.759 3.892) 6.182 2.197 ( 1.104 5.262 -0.817) 5.439 2.307 ( -4.566 1.971 -9.888) 11.068 2.482 ( 2.055 3.252 -1.611) 4.171 2.593 ( 1.129 4.529 -1.841) 5.018 2.656 ( 2.093 -4.294 -1.521) 5.013 2.690 ( 1.924 -3.775 3.610) 5.567 2.826 ( 0.565 0.752 3.241) 3.375 2.884 ( -1.062 -4.537 -0.259) 4.666 2.932 ( 0.515 -2.082 -3.219) 3.868 3.023 ( 0.822 4.394 1.378) 4.678 3.085 ( 0.227 -1.218 -4.834) 4.990 3.130 ( -0.311 -0.088 2.213) 2.237 3.139 ( -0.461 1.212 0.887) 1.571 3.259 ( -3.463 -1.825 0.224) 3.921 3.395 ( 0.434 0.797 0.221) 0.934 3.432 ( 0.816 1.610 1.164) 2.148 3.747 ( -0.127 1.234 7.158) 7.265 3.805 ( -1.802 -2.475 -5.710) 6.479 4.054 ( -0.997 -1.036 1.704) 2.230 4.318 ( 1.176 -1.257 1.550) 2.316 4.371 ( 3.120 -2.342 0.134) 3.904 4.455 ( 2.139 1.341 -1.026) 2.725 4.559 ( -0.394 -0.623 -1.559) 1.725 4.679 ( -1.902 0.094 -1.530) 2.442 4.858 ( -1.082 -1.428 -0.348) 1.825 4.862 ( -0.909 -1.437 -0.612) 1.807 4.999 ( 0.950 2.219 0.012) 2.414 5.115 ( -0.365 -1.654 0.497) 1.765 5.167 ( -10.452 -5.155 -6.992) 13.591 5.653 ( 4.033 -1.744 1.468) 4.633 5.746 ( 1.028 -0.521 0.462) 1.241 6.283 ( 4.557 1.787 0.550) 4.926 6.349 ( 0.154 5.054 -1.318) 5.225 6.650 ( 3.810 -11.793 9.020) 15.328 6.779 ( -2.553 -1.006 -5.080) 5.774 9.755 ( -2.270 -1.004 -0.503) 2.532 9.946 ( -2.504 1.317 1.211) 3.078 10.282 ( 1.297 -2.881 3.566) 4.764 10.563 ( -1.133 -2.515 -2.139) 3.491 13.319 ( -0.161 -2.948 0.332) 2.971 13.640 ( -1.339 0.091 1.424) 1.957 13.786 ( 4.339 1.504 -2.965) 5.466 13.939 ( -1.480 -4.524 0.101) 4.761 13.959 ( 5.263 2.394 1.189) 5.903 14.084 ( 0.353 2.484 2.697) 3.684 14.197 ( 0.217 0.783 -0.293) 0.864 14.683 ( 3.187 -8.385 -1.087) 9.036 16.094 ( -4.017 -10.542 -0.158) 11.283 16.371 ( -2.998 -5.058 -0.263) 5.886 22.570 ( -0.260 -0.693 0.047) 0.742 22.579 ( -0.602 0.122 -0.033) 0.615 24.240 ( -1.436 1.359 -0.039) 1.977 24.542 ( 1.047 10.496 -0.549) 10.563 24.751 ( 3.939 1.914 -2.515) 5.050 25.075 ( -10.629 2.931 -3.444) 11.551 25.389 ( 4.282 -10.213 5.236) 12.250 25.690 ( 0.510 -6.570 1.748) 6.818 110.423 ( -0.093 0.252 -0.001) 0.269 110.442 ( 0.013 0.595 -0.007) 0.595 ======================= Grid point 152 (69/78) ======================= q-point: (-0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 0.000 17.076 0.000) 17.076 0.923 ( 0.000 1.538 0.000) 1.538 0.943 ( -0.000 1.516 -0.000) 1.516 0.969 ( 0.000 11.517 -0.000) 11.517 1.438 ( -0.000 2.768 0.000) 2.768 1.609 ( -0.000 1.246 0.000) 1.246 1.685 ( -0.000 1.937 0.000) 1.937 1.700 ( 0.000 5.708 -0.000) 5.708 1.795 ( -0.000 4.698 -0.000) 4.698 1.802 ( 0.000 9.434 0.000) 9.434 1.856 ( 0.000 2.243 0.000) 2.243 2.035 ( 0.000 -4.204 0.000) 4.204 2.146 ( -0.000 4.224 0.000) 4.224 2.234 ( 0.000 -4.998 0.000) 4.998 2.248 ( 0.000 0.167 -0.000) 0.167 2.455 ( -0.000 4.018 0.000) 4.018 2.530 ( 0.000 4.357 0.000) 4.357 2.741 ( 0.000 -5.911 -0.000) 5.911 2.747 ( -0.000 0.111 0.000) 0.111 2.870 ( 0.000 -4.726 0.000) 4.726 2.915 ( 0.000 -0.983 0.000) 0.983 2.945 ( -0.000 -3.795 0.000) 3.795 2.995 ( -0.000 1.865 0.000) 1.865 3.086 ( -0.000 1.387 0.000) 1.387 3.108 ( 0.000 2.153 -0.000) 2.153 3.116 ( -0.000 2.311 0.000) 2.311 3.277 ( 0.000 -4.896 0.000) 4.896 3.397 ( -0.000 0.174 0.000) 0.174 3.405 ( 0.000 3.051 0.000) 3.051 3.738 ( -0.000 3.218 0.000) 3.218 3.817 ( 0.000 -5.350 0.000) 5.350 4.058 ( -0.000 -0.199 0.000) 0.199 4.344 ( -0.000 -1.087 0.000) 1.087 4.434 ( 0.000 -3.165 0.000) 3.165 4.457 ( 0.000 0.851 0.000) 0.851 4.585 ( -0.000 -0.766 0.000) 0.766 4.636 ( 0.000 -0.370 0.000) 0.370 4.852 ( 0.000 -0.354 0.000) 0.354 4.947 ( 0.000 1.634 0.000) 1.634 4.959 ( -0.000 -2.749 0.000) 2.749 5.027 ( -0.000 1.581 0.000) 1.581 5.137 ( -0.000 -1.796 0.000) 1.796 5.740 ( -0.000 -1.828 0.000) 1.828 5.758 ( 0.000 -2.267 0.000) 2.267 6.279 ( 0.000 2.749 0.000) 2.749 6.305 ( 0.000 4.928 0.000) 4.928 6.746 ( 0.000 -3.309 0.000) 3.309 6.856 ( 0.000 -9.662 0.000) 9.662 9.741 ( 0.000 -0.934 0.000) 0.934 9.914 ( -0.000 0.559 0.000) 0.559 10.330 ( 0.000 -1.203 0.000) 1.203 10.578 ( 0.000 -2.301 0.000) 2.301 13.354 ( -0.000 -2.848 0.000) 2.848 13.627 ( 0.000 0.199 0.000) 0.199 13.797 ( -0.000 1.299 0.000) 1.299 13.959 ( -0.000 -0.286 0.000) 0.286 13.988 ( -0.000 -0.046 0.000) 0.046 14.099 ( 0.000 -0.259 0.000) 0.259 14.203 ( 0.000 0.132 0.000) 0.132 14.842 ( 0.000 -13.428 0.000) 13.428 16.177 ( 0.000 -9.461 0.000) 9.461 16.388 ( -0.000 -2.898 0.000) 2.898 22.572 ( 0.000 0.039 0.000) 0.039 22.577 ( -0.000 -0.783 0.000) 0.783 24.206 ( -0.000 1.728 0.000) 1.728 24.419 ( 0.000 12.154 0.000) 12.154 24.830 ( -0.000 3.348 0.000) 3.348 24.836 ( 0.000 1.758 0.000) 1.758 25.621 ( 0.000 -13.760 0.000) 13.760 25.751 ( -0.000 -4.439 0.000) 4.439 110.420 ( 0.000 0.179 0.000) 0.179 110.436 ( 0.000 0.550 0.000) 0.550 ======================= Grid point 156 (70/78) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 8.189 -0.000 -0.339) 8.196 1.332 ( 7.060 -0.000 -3.755) 7.997 1.335 ( -0.580 0.000 6.801) 6.825 1.464 ( 13.172 -0.000 -0.945) 13.206 1.588 ( 1.130 -0.000 6.614) 6.710 1.699 ( 1.838 -0.000 7.944) 8.154 1.805 ( 3.078 -0.000 -4.330) 5.313 1.896 ( 0.857 -0.000 -2.871) 2.996 1.900 ( -0.659 0.000 -7.217) 7.247 2.020 ( -6.314 0.000 -1.135) 6.415 2.136 ( -6.846 0.000 2.622) 7.331 2.177 ( 8.171 -0.000 -1.917) 8.393 2.279 ( -10.011 0.000 0.843) 10.047 2.293 ( 2.445 -0.000 1.612) 2.929 2.355 ( 2.997 -0.000 -0.112) 2.999 2.407 ( -4.522 0.000 3.757) 5.879 2.446 ( 14.755 -0.000 -2.969) 15.051 2.555 ( -2.188 0.000 0.420) 2.228 2.555 ( -0.318 0.000 -0.247) 0.403 2.733 ( -0.041 0.000 3.582) 3.582 2.860 ( 0.897 -0.000 -4.827) 4.909 3.001 ( -2.626 0.000 -2.697) 3.764 3.051 ( 1.055 -0.000 -7.749) 7.820 3.107 ( 5.309 -0.000 2.084) 5.704 3.166 ( 0.923 -0.000 0.208) 0.946 3.221 ( -1.351 0.000 -0.371) 1.401 3.228 ( -5.903 0.000 -2.765) 6.519 3.372 ( 1.851 -0.000 2.236) 2.903 3.580 ( 1.537 -0.000 0.502) 1.617 3.657 ( 6.147 -0.000 4.066) 7.371 3.928 ( -1.117 0.000 4.488) 4.625 4.053 ( 1.499 -0.000 -7.614) 7.760 4.113 ( -6.240 0.000 2.461) 6.708 4.389 ( -0.596 0.000 1.189) 1.330 4.389 ( -0.091 0.000 -0.033) 0.097 4.554 ( 2.287 -0.000 -0.737) 2.403 4.643 ( 1.071 -0.000 -1.213) 1.618 4.892 ( -4.104 0.000 1.549) 4.387 4.992 ( 0.719 -0.000 -1.268) 1.457 5.045 ( -1.184 0.000 -5.138) 5.273 5.242 ( 1.418 -0.000 1.445) 2.025 5.274 ( -7.493 0.000 7.323) 10.477 5.547 ( 3.075 -0.000 -0.207) 3.082 5.558 ( 0.734 -0.000 -1.506) 1.676 6.118 ( -5.736 0.000 -6.852) 8.935 6.365 ( -9.148 0.000 3.693) 9.865 6.401 ( 3.051 -0.000 -0.372) 3.073 6.979 ( 0.736 -0.000 3.130) 3.216 9.859 ( -0.481 0.000 -1.766) 1.831 10.086 ( 1.084 -0.000 0.344) 1.137 10.177 ( -3.192 0.000 -2.886) 4.303 10.557 ( -1.651 0.000 3.523) 3.890 13.291 ( -1.532 0.000 -1.194) 1.942 13.608 ( -0.721 0.000 2.996) 3.082 13.672 ( -0.521 0.000 -1.351) 1.448 13.862 ( 4.342 -0.000 2.899) 5.221 13.913 ( 1.380 -0.000 -1.673) 2.169 14.069 ( -1.797 0.000 -2.794) 3.322 14.243 ( 6.072 -0.000 -1.758) 6.321 14.596 ( -7.380 0.000 2.189) 7.698 16.192 ( -7.900 0.000 0.044) 7.900 16.485 ( -5.719 0.000 0.141) 5.721 22.578 ( -0.428 0.000 0.116) 0.443 22.618 ( 0.250 -0.000 -0.024) 0.251 24.231 ( 0.978 -0.000 0.222) 1.003 24.718 ( 12.658 -0.000 -0.388) 12.664 24.750 ( -0.459 0.000 0.536) 0.706 24.974 ( -1.687 0.000 -2.697) 3.181 25.453 ( -5.415 0.000 -3.619) 6.513 25.651 ( -6.533 0.000 5.994) 8.866 110.431 ( 0.122 -0.000 -0.000) 0.122 110.444 ( 0.547 -0.000 -0.000) 0.547 ======================= Grid point 157 (71/78) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 7.106 -1.408 2.393) 7.629 1.309 ( -0.483 4.636 2.349) 5.220 1.442 ( 3.088 -4.005 -0.383) 5.072 1.592 ( -4.597 0.229 4.906) 6.727 1.663 ( 8.365 1.131 -5.946) 10.325 1.722 ( -5.064 8.396 0.013) 9.805 1.755 ( -0.487 1.930 3.021) 3.618 1.824 ( 0.891 -0.456 -0.574) 1.154 1.875 ( -4.117 3.116 3.838) 6.434 1.939 ( -3.523 -5.895 -4.538) 8.231 1.999 ( -8.672 -4.726 -0.114) 9.877 2.183 ( -1.556 2.291 1.984) 3.406 2.261 ( 1.877 -1.561 -3.723) 4.452 2.278 ( -5.542 5.528 1.886) 8.051 2.377 ( 0.821 -1.627 1.997) 2.703 2.434 ( 5.089 -4.286 2.055) 6.964 2.514 ( -0.402 -0.337 -1.371) 1.468 2.543 ( 0.577 1.016 1.223) 1.691 2.678 ( 4.863 -0.662 -3.147) 5.830 2.807 ( 5.659 4.136 1.638) 7.198 2.870 ( 4.890 -1.427 -0.777) 5.152 2.933 ( -0.807 -2.089 -1.814) 2.882 3.063 ( -1.317 1.125 -3.368) 3.787 3.082 ( -6.918 -0.309 -0.091) 6.925 3.141 ( 1.099 2.834 0.577) 3.094 3.207 ( -0.329 -1.459 2.309) 2.751 3.280 ( 7.557 -2.002 -0.394) 7.828 3.384 ( -0.044 0.714 -0.586) 0.925 3.564 ( -0.157 4.090 0.688) 4.150 3.728 ( 0.637 2.265 -0.185) 2.360 3.958 ( -2.314 -2.617 5.060) 6.148 4.018 ( -4.520 0.133 -1.179) 4.674 4.057 ( 1.912 -2.980 -3.694) 5.117 4.367 ( -1.871 -0.379 0.624) 2.008 4.398 ( 1.290 -0.595 -0.186) 1.433 4.581 ( 2.351 1.797 -3.294) 4.428 4.679 ( 2.049 -2.124 -1.528) 3.323 4.825 ( -5.609 -2.152 0.956) 6.084 4.964 ( -4.086 0.160 -5.288) 6.685 4.989 ( -0.198 -0.195 -1.758) 1.780 5.187 ( -5.528 0.723 5.298) 7.690 5.236 ( -4.692 -2.200 2.143) 5.608 5.566 ( 1.244 0.599 -0.220) 1.398 5.678 ( 9.995 0.832 1.018) 10.081 6.003 ( -3.843 -3.271 -6.158) 7.962 6.258 ( -4.637 1.238 5.494) 7.295 6.457 ( 3.186 -0.385 -1.105) 3.395 6.968 ( -1.259 2.854 1.314) 3.385 9.831 ( -1.458 0.541 -1.294) 2.023 10.083 ( -1.195 0.756 0.800) 1.624 10.129 ( -2.568 -1.939 -0.231) 3.225 10.543 ( -2.293 -0.896 1.408) 2.836 13.264 ( -1.467 -0.506 -0.502) 1.631 13.621 ( -0.462 -0.333 4.737) 4.771 13.675 ( 1.704 -0.083 -1.894) 2.549 13.901 ( 4.040 3.092 -1.591) 5.331 13.963 ( 1.422 -1.283 -2.453) 3.112 14.044 ( 0.372 -0.558 0.866) 1.096 14.345 ( 5.606 -1.778 -1.298) 6.023 14.468 ( -6.810 2.515 1.569) 7.427 16.036 ( -10.917 -1.818 0.051) 11.067 16.373 ( -7.428 -0.824 0.035) 7.473 22.570 ( -0.592 -0.038 0.160) 0.615 22.615 ( -0.331 0.268 -0.081) 0.434 24.255 ( 0.674 -1.013 0.207) 1.234 24.743 ( 0.450 -0.067 -2.634) 2.673 24.866 ( 5.533 6.510 -1.021) 8.604 24.984 ( 3.828 -3.413 2.782) 5.835 25.368 ( -4.078 -2.768 -2.643) 5.592 25.538 ( -8.776 0.344 3.482) 9.447 110.432 ( 0.144 0.081 0.000) 0.165 110.453 ( 0.430 0.054 -0.001) 0.434 ======================= Grid point 158 (72/78) ======================= q-point: (-0.50 0.25 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -1.215 5.964 1.102) 6.185 1.350 ( 2.133 3.023 4.082) 5.509 1.382 ( -10.602 5.934 -1.400) 12.230 1.469 ( -2.519 6.453 -1.614) 7.112 1.576 ( -1.575 -1.550 3.221) 3.906 1.657 ( -1.501 2.163 0.195) 2.640 1.771 ( -1.855 0.559 -3.689) 4.166 1.812 ( -0.228 -0.766 -0.735) 1.086 1.868 ( -0.055 -0.678 8.915) 8.941 1.916 ( -0.192 -2.245 -4.841) 5.340 2.020 ( -0.767 -6.551 -0.029) 6.596 2.128 ( -4.556 4.088 0.245) 6.126 2.149 ( -0.164 3.368 1.783) 3.815 2.282 ( -0.567 0.124 1.355) 1.474 2.418 ( -1.517 -4.550 2.387) 5.358 2.485 ( -0.119 0.889 -3.068) 3.197 2.552 ( 4.042 2.326 -0.422) 4.682 2.591 ( 4.240 -3.295 0.463) 5.389 2.695 ( 0.592 1.236 -0.780) 1.577 2.816 ( 1.249 2.185 -1.415) 2.887 2.880 ( -7.369 1.017 2.551) 7.864 2.905 ( -1.504 -1.081 -0.386) 1.892 3.044 ( 1.670 1.347 -0.329) 2.171 3.083 ( 2.899 -1.633 -0.045) 3.327 3.132 ( 0.839 1.957 1.433) 2.567 3.199 ( -2.855 0.728 1.274) 3.211 3.375 ( 2.335 0.217 -2.371) 3.335 3.412 ( 3.040 0.454 0.430) 3.104 3.510 ( -0.495 6.836 -0.582) 6.879 3.681 ( 1.222 -0.646 -0.822) 1.608 3.877 ( -5.731 2.305 0.384) 6.189 3.998 ( -0.682 -2.143 -0.797) 2.386 4.157 ( 3.480 -4.715 2.192) 6.257 4.346 ( -1.546 -0.361 0.411) 1.639 4.447 ( 2.735 -1.054 -0.568) 2.986 4.562 ( 0.666 1.436 -4.855) 5.106 4.714 ( 0.494 -1.234 -3.227) 3.489 4.769 ( -6.132 -4.923 0.551) 7.883 4.871 ( -3.790 -0.889 -3.917) 5.522 4.992 ( 1.205 -0.416 -1.666) 2.098 5.116 ( -5.360 -0.341 4.171) 6.800 5.175 ( -6.462 -2.538 0.119) 6.943 5.581 ( 1.043 0.033 0.688) 1.250 5.764 ( 2.363 3.573 0.008) 4.283 6.089 ( 5.515 -10.581 0.516) 11.943 6.257 ( 3.812 1.377 3.724) 5.505 6.488 ( 2.097 1.690 -2.347) 3.572 6.893 ( -3.857 2.975 0.323) 4.882 9.789 ( -2.052 0.409 -1.013) 2.325 10.043 ( -2.190 1.574 1.059) 2.897 10.136 ( -0.805 -3.153 2.968) 4.404 10.514 ( -3.213 -2.383 -1.446) 4.253 13.251 ( -1.101 -1.240 0.050) 1.659 13.640 ( -0.832 -0.250 5.147) 5.219 13.711 ( 2.748 -1.340 -2.546) 3.979 13.919 ( 0.063 -0.151 -5.133) 5.136 13.961 ( 4.848 4.242 0.404) 6.455 14.099 ( 2.694 -0.654 1.770) 3.289 14.327 ( -5.729 3.161 0.175) 6.546 14.459 ( 4.343 -3.036 -0.391) 5.313 15.896 ( -10.292 -5.901 0.029) 11.864 16.276 ( -6.445 -3.314 0.023) 7.247 22.561 ( -0.627 -0.197 0.150) 0.674 22.601 ( -0.704 0.374 -0.098) 0.803 24.271 ( 0.059 -0.314 0.136) 0.348 24.740 ( 1.267 -0.233 -6.137) 6.271 24.824 ( 0.252 6.267 3.224) 7.052 25.111 ( 4.932 0.201 3.890) 6.285 25.330 ( -7.466 -2.914 -2.606) 8.428 25.438 ( -2.166 -3.662 1.780) 4.612 110.433 ( 0.094 0.211 -0.000) 0.231 110.457 ( 0.250 0.259 -0.002) 0.360 ======================= Grid point 159 (73/78) ======================= q-point: (-0.38 0.25 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -8.648 6.225 1.503) 10.761 1.152 ( -1.967 9.126 5.589) 10.880 1.276 ( -4.031 7.535 -4.925) 9.863 1.379 ( 2.911 9.569 -1.227) 10.077 1.566 ( -0.758 1.993 2.532) 3.310 1.631 ( -1.408 -0.877 -0.118) 1.663 1.744 ( -2.732 -1.763 -0.353) 3.270 1.810 ( -0.285 0.395 -1.269) 1.359 1.889 ( 0.335 3.178 1.169) 3.403 1.924 ( 0.558 -3.723 -0.763) 3.841 2.011 ( -3.757 0.516 0.035) 3.793 2.066 ( -0.197 2.783 -0.568) 2.848 2.143 ( 0.476 -0.664 3.413) 3.509 2.251 ( -3.423 2.742 6.798) 8.090 2.415 ( -0.672 3.596 -1.891) 4.118 2.488 ( 2.395 -2.023 -4.675) 5.629 2.591 ( -0.919 -2.857 2.183) 3.712 2.645 ( 0.686 1.489 -3.070) 3.480 2.673 ( 2.632 2.572 -0.021) 3.680 2.790 ( -1.911 -2.020 0.913) 2.927 2.846 ( 0.842 0.232 3.824) 3.923 2.924 ( 0.694 -1.255 -0.326) 1.470 3.012 ( -1.350 0.207 -5.378) 5.549 3.096 ( -2.770 0.914 0.866) 3.042 3.130 ( -1.363 0.649 1.851) 2.389 3.160 ( 2.625 -0.081 -0.460) 2.666 3.323 ( -3.461 6.133 -0.488) 7.059 3.420 ( -0.309 1.262 0.457) 1.377 3.461 ( 2.929 0.950 -1.025) 3.245 3.764 ( -3.102 2.170 1.888) 4.230 3.777 ( 3.387 -0.978 -1.399) 3.793 4.012 ( -0.572 -2.284 0.551) 2.418 4.280 ( 3.233 -2.854 4.132) 5.972 4.332 ( 0.057 -0.424 -1.080) 1.162 4.482 ( 1.232 0.357 -0.177) 1.295 4.540 ( -0.021 -0.673 -3.892) 3.950 4.677 ( -3.905 -0.419 -1.387) 4.165 4.765 ( -0.697 -5.360 -0.451) 5.424 4.833 ( -1.295 -2.083 -2.381) 3.418 5.017 ( 1.468 -0.689 -1.250) 2.047 5.050 ( -7.759 -3.132 0.684) 8.395 5.097 ( -2.606 -0.380 -0.327) 2.654 5.621 ( 2.824 -0.994 1.166) 3.213 5.740 ( -1.816 0.134 -0.027) 1.821 6.305 ( 5.840 -4.151 1.254) 7.274 6.387 ( 5.756 -4.621 1.685) 7.571 6.476 ( 3.380 3.587 0.525) 4.956 6.776 ( -6.707 0.987 -1.720) 6.994 9.748 ( -1.660 0.232 -0.708) 1.819 9.990 ( -1.813 2.236 0.911) 3.019 10.203 ( 1.440 -3.605 4.638) 6.049 10.481 ( -3.338 -4.076 -3.178) 6.153 13.257 ( -0.545 -2.121 0.202) 2.199 13.646 ( -0.810 0.352 2.910) 3.041 13.772 ( 2.158 -3.969 -2.043) 4.958 13.883 ( 0.008 1.819 -2.660) 3.223 14.023 ( 5.437 2.855 1.141) 6.246 14.138 ( 0.495 1.451 2.781) 3.175 14.215 ( -2.855 1.402 -2.210) 3.873 14.555 ( 2.498 -3.815 -0.323) 4.571 15.846 ( -6.143 -9.919 -0.037) 11.667 16.241 ( -3.568 -5.498 -0.014) 6.555 22.556 ( -0.419 -0.430 0.086) 0.607 22.585 ( -0.595 0.350 -0.067) 0.694 24.266 ( -0.285 0.840 0.063) 0.889 24.707 ( -0.144 3.178 -3.846) 4.992 24.812 ( 3.791 3.452 2.507) 5.707 25.148 ( -9.001 3.215 -2.480) 9.874 25.213 ( 1.956 -4.303 3.110) 5.658 25.530 ( 1.475 -7.089 0.967) 7.305 110.431 ( 0.016 0.336 -0.000) 0.337 110.455 ( 0.094 0.474 -0.003) 0.483 ======================= Grid point 160 (74/78) ======================= q-point: (-0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 0.000 3.706 0.000) 3.706 1.045 ( 0.000 7.733 0.000) 7.733 1.104 ( -0.000 11.613 -0.000) 11.613 1.279 ( -0.000 12.724 0.000) 12.724 1.523 ( 0.000 4.600 -0.000) 4.600 1.620 ( -0.000 -0.256 0.000) 0.256 1.730 ( 0.000 -1.782 0.000) 1.782 1.782 ( 0.000 1.788 0.000) 1.788 1.853 ( -0.000 4.110 0.000) 4.110 1.927 ( -0.000 2.683 -0.000) 2.683 2.002 ( 0.000 6.102 -0.000) 6.102 2.017 ( -0.000 -3.513 0.000) 3.513 2.151 ( 0.000 3.495 0.000) 3.495 2.221 ( 0.000 -3.445 0.000) 3.445 2.315 ( -0.000 10.162 0.000) 10.162 2.518 ( -0.000 0.461 0.000) 0.461 2.611 ( 0.000 -4.160 0.000) 4.160 2.644 ( 0.000 0.388 0.000) 0.388 2.716 ( -0.000 1.281 0.000) 1.281 2.769 ( 0.000 -3.634 0.000) 3.634 2.873 ( -0.000 -0.535 0.000) 0.535 2.918 ( 0.000 1.851 0.000) 1.851 3.021 ( -0.000 -6.870 0.000) 6.870 3.057 ( -0.000 1.936 0.000) 1.936 3.139 ( 0.000 -0.290 0.000) 0.290 3.202 ( -0.000 -1.110 -0.000) 1.110 3.204 ( 0.000 6.150 0.000) 6.150 3.407 ( 0.000 0.731 0.000) 0.731 3.469 ( 0.000 2.100 0.000) 2.100 3.725 ( 0.000 -1.436 0.000) 1.436 3.799 ( -0.000 1.694 0.000) 1.694 4.034 ( -0.000 -1.853 0.000) 1.853 4.325 ( -0.000 -0.154 0.000) 0.154 4.364 ( 0.000 -2.925 0.000) 2.925 4.483 ( 0.000 0.803 0.000) 0.803 4.559 ( -0.000 -1.370 0.000) 1.370 4.621 ( 0.000 -0.504 0.000) 0.504 4.835 ( 0.000 -1.461 0.000) 1.461 4.856 ( 0.000 -6.179 0.000) 6.179 4.965 ( -0.000 -0.194 0.000) 0.194 5.035 ( -0.000 -0.604 0.000) 0.604 5.094 ( 0.000 -1.362 0.000) 1.362 5.696 ( -0.000 -1.715 0.000) 1.715 5.710 ( 0.000 -1.759 0.000) 1.759 6.356 ( 0.000 3.712 0.000) 3.712 6.421 ( -0.000 1.861 0.000) 1.861 6.624 ( 0.000 -6.868 0.000) 6.868 6.670 ( -0.000 -3.022 -0.000) 3.022 9.729 ( 0.000 -0.017 0.000) 0.017 9.949 ( -0.000 2.268 0.000) 2.268 10.277 ( 0.000 -3.147 0.000) 3.147 10.491 ( -0.000 -4.920 0.000) 4.920 13.282 ( -0.000 -2.894 0.000) 2.894 13.638 ( 0.000 0.683 0.000) 0.683 13.847 ( -0.000 2.971 0.000) 2.971 13.853 ( 0.000 -6.639 -0.000) 6.639 14.044 ( -0.000 3.208 0.000) 3.208 14.116 ( 0.000 2.258 0.000) 2.258 14.194 ( 0.000 -1.004 0.000) 1.004 14.628 ( 0.000 -5.392 0.000) 5.392 15.920 ( 0.000 -11.725 0.000) 11.725 16.279 ( -0.000 -5.929 0.000) 5.929 22.559 ( -0.000 -0.649 0.000) 0.649 22.576 ( -0.000 0.269 0.000) 0.269 24.247 ( -0.000 1.594 0.000) 1.594 24.643 ( 0.000 6.183 0.000) 6.183 24.872 ( 0.000 0.846 0.000) 0.846 24.948 ( -0.000 6.692 0.000) 6.692 25.333 ( 0.000 -9.523 0.000) 9.523 25.622 ( -0.000 -6.312 0.000) 6.312 110.426 ( -0.000 0.368 0.000) 0.368 110.449 ( 0.000 0.597 0.000) 0.597 ======================= Grid point 166 (75/78) ======================= q-point: ( 0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -4.824 0.000 7.909) 9.264 1.373 ( 6.953 -0.000 -1.512) 7.115 1.478 ( 4.624 -0.000 -2.542) 5.276 1.484 ( -8.524 0.000 3.531) 9.226 1.634 ( -6.067 0.000 1.036) 6.155 1.751 ( -4.311 0.000 -4.947) 6.562 1.777 ( -3.723 0.000 0.238) 3.730 1.789 ( -2.560 0.000 -4.651) 5.309 1.832 ( -4.107 0.000 3.974) 5.715 1.840 ( 3.957 -0.000 5.756) 6.984 1.933 ( 3.681 -0.000 -0.631) 3.735 2.192 ( -1.333 0.000 1.719) 2.176 2.223 ( -2.354 0.000 -4.260) 4.867 2.293 ( -2.195 0.000 4.223) 4.759 2.306 ( -1.050 0.000 0.795) 1.317 2.472 ( 0.757 -0.000 -0.242) 0.794 2.543 ( 5.333 -0.000 -2.599) 5.932 2.600 ( 2.271 -0.000 0.642) 2.360 2.711 ( 1.740 -0.000 -1.291) 2.166 2.854 ( -0.934 0.000 -3.878) 3.989 2.882 ( 1.579 -0.000 -0.381) 1.624 2.902 ( -8.515 0.000 1.443) 8.636 3.050 ( 3.763 -0.000 7.271) 8.187 3.063 ( 0.637 -0.000 -3.744) 3.798 3.188 ( -3.356 0.000 3.920) 5.160 3.189 ( 1.464 -0.000 1.248) 1.924 3.381 ( 1.555 -0.000 -2.209) 2.701 3.410 ( 7.666 -0.000 -2.291) 8.001 3.594 ( 1.123 -0.000 1.388) 1.785 3.684 ( -6.039 0.000 -3.449) 6.954 3.956 ( -0.694 0.000 4.992) 5.040 4.003 ( 1.604 -0.000 3.672) 4.007 4.018 ( 1.025 -0.000 -6.236) 6.319 4.342 ( -1.235 0.000 2.333) 2.640 4.428 ( 2.604 -0.000 -1.721) 3.122 4.592 ( 0.077 -0.000 -8.180) 8.180 4.671 ( 0.083 -0.000 -1.037) 1.041 4.714 ( -5.684 0.000 0.950) 5.762 4.862 ( -4.514 0.000 -4.587) 6.436 4.986 ( 0.914 -0.000 -1.938) 2.142 5.103 ( -7.146 0.000 4.256) 8.318 5.157 ( -4.823 0.000 3.009) 5.685 5.582 ( 0.567 -0.000 0.452) 0.725 5.865 ( -5.759 0.000 -3.277) 6.626 5.901 ( 12.257 -0.000 2.918) 12.599 6.277 ( 3.846 -0.000 3.115) 4.949 6.505 ( 3.210 -0.000 -2.680) 4.182 6.935 ( -5.110 0.000 0.789) 5.170 9.796 ( -2.161 0.000 -1.096) 2.423 10.064 ( -1.910 0.000 0.933) 2.126 10.095 ( -0.652 0.000 3.009) 3.079 10.483 ( -3.993 0.000 -1.493) 4.263 13.236 ( -1.203 0.000 -0.009) 1.203 13.636 ( -0.747 0.000 5.593) 5.642 13.692 ( 1.810 -0.000 -3.853) 4.257 13.923 ( 1.531 -0.000 -4.052) 4.331 14.036 ( 4.406 -0.000 0.989) 4.516 14.069 ( 2.739 -0.000 0.601) 2.805 14.374 ( -6.486 0.000 0.940) 6.554 14.413 ( 4.324 -0.000 -0.895) 4.415 15.824 ( -11.795 0.000 0.043) 11.795 16.235 ( -7.473 0.000 0.058) 7.473 22.559 ( -0.693 0.000 0.166) 0.712 22.606 ( -0.752 0.000 -0.103) 0.759 24.266 ( 0.878 -0.000 0.180) 0.896 24.736 ( 1.304 -0.000 -5.400) 5.555 24.902 ( -3.517 0.000 5.746) 6.737 25.133 ( 10.776 -0.000 -0.496) 10.788 25.257 ( -5.204 0.000 -1.250) 5.352 25.411 ( -7.318 0.000 1.468) 7.464 110.436 ( 0.150 -0.000 -0.000) 0.150 110.460 ( 0.329 -0.000 -0.001) 0.329 ======================= Grid point 167 (76/78) ======================= q-point: (-0.50 0.38 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -9.338 1.597 0.867) 9.513 1.373 ( -1.508 6.697 4.680) 8.308 1.446 ( 1.312 5.995 -0.010) 6.137 1.522 ( -1.311 4.782 -0.659) 5.002 1.562 ( 2.393 -2.961 -2.100) 4.347 1.651 ( -0.732 2.672 1.213) 3.025 1.718 ( -4.246 -1.014 2.085) 4.838 1.769 ( 0.003 -4.151 -2.783) 4.998 1.842 ( 0.092 -2.322 0.711) 2.430 1.940 ( 1.144 -2.305 9.180) 9.534 1.964 ( 1.701 0.834 -6.468) 6.740 2.102 ( -3.675 4.161 -2.807) 6.221 2.188 ( -1.064 -0.734 -0.323) 1.332 2.293 ( 0.581 1.298 3.196) 3.498 2.337 ( -1.329 -4.396 2.749) 5.352 2.480 ( 0.166 -0.910 -1.139) 1.467 2.596 ( -1.969 1.568 0.492) 2.565 2.635 ( 5.505 -1.348 -3.421) 6.620 2.727 ( -0.367 1.647 -0.100) 1.690 2.758 ( -0.866 -1.215 -0.817) 1.701 2.869 ( -1.121 1.957 2.625) 3.461 2.926 ( 2.568 0.679 1.809) 3.213 3.024 ( -1.060 -0.607 -4.086) 4.264 3.085 ( -2.664 -0.590 3.019) 4.070 3.124 ( -3.970 -0.494 -0.062) 4.001 3.218 ( 2.343 3.327 0.066) 4.070 3.419 ( 0.548 1.034 0.622) 1.326 3.450 ( 0.410 0.876 -1.123) 1.482 3.477 ( -5.521 0.432 -2.470) 6.064 3.752 ( 7.480 -0.735 0.550) 7.536 3.913 ( -0.306 10.067 1.351) 10.162 3.968 ( -0.042 -1.122 -1.163) 1.616 4.161 ( 3.522 -7.784 3.099) 9.088 4.346 ( 0.413 1.031 2.989) 3.188 4.457 ( 0.685 -1.618 -1.675) 2.428 4.524 ( -2.509 -1.073 -7.499) 7.980 4.650 ( -3.047 -0.874 0.866) 3.286 4.677 ( 0.056 -1.923 -2.532) 3.180 4.782 ( -3.200 -1.330 -2.272) 4.144 4.999 ( -0.008 -0.130 -0.998) 1.006 5.013 ( -4.271 -0.844 1.470) 4.595 5.098 ( -3.421 0.137 2.486) 4.231 5.606 ( 2.092 -0.330 0.953) 2.322 5.751 ( -4.948 0.600 -1.366) 5.168 6.129 ( 7.666 -5.346 3.089) 9.843 6.401 ( 8.901 1.255 1.319) 9.086 6.525 ( 1.789 0.631 -2.777) 3.363 6.814 ( -8.147 1.429 0.024) 8.272 9.756 ( -1.571 0.296 -0.623) 1.716 10.033 ( -1.380 1.096 0.590) 1.858 10.136 ( 1.680 -1.712 5.043) 5.585 10.405 ( -4.510 -1.989 -3.849) 6.254 13.225 ( -0.657 -0.667 0.159) 0.950 13.651 ( -0.786 -0.022 5.142) 5.202 13.699 ( 0.732 -1.564 -4.761) 5.064 13.937 ( 2.283 1.687 -1.717) 3.317 14.084 ( 3.890 2.278 0.677) 4.559 14.132 ( 1.789 -1.408 0.232) 2.288 14.267 ( -4.604 2.107 0.112) 5.065 14.482 ( 2.354 -2.289 -0.317) 3.299 15.677 ( -7.490 -3.990 0.021) 8.486 16.145 ( -4.414 -2.364 0.046) 5.008 22.550 ( -0.489 -0.124 0.098) 0.514 22.592 ( -0.637 0.198 -0.068) 0.670 24.278 ( 0.426 0.242 0.100) 0.500 24.734 ( 1.524 0.166 -5.239) 5.458 24.866 ( -2.766 0.831 5.614) 6.314 25.182 ( -1.034 0.380 0.765) 1.341 25.233 ( -1.017 4.446 -1.262) 4.733 25.371 ( 0.731 -6.426 0.235) 6.472 110.437 ( 0.083 0.157 -0.000) 0.177 110.463 ( 0.159 0.174 -0.001) 0.236 ======================= Grid point 168 (77/78) ======================= q-point: (-0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 0.000 3.005 0.000) 3.005 1.273 ( 0.000 10.708 0.000) 10.708 1.346 ( -0.000 9.619 -0.000) 9.619 1.455 ( 0.000 3.439 0.000) 3.439 1.602 ( 0.000 -1.523 0.000) 1.523 1.659 ( -0.000 4.086 0.000) 4.086 1.678 ( 0.000 -0.958 0.000) 0.958 1.837 ( -0.000 2.840 -0.000) 2.840 1.841 ( 0.000 -5.842 0.000) 5.842 1.934 ( 0.000 0.321 0.000) 0.321 1.996 ( -0.000 2.814 -0.000) 2.814 2.034 ( 0.000 -4.080 0.000) 4.080 2.179 ( -0.000 1.217 0.000) 1.217 2.275 ( 0.000 4.473 0.000) 4.473 2.404 ( -0.000 -7.232 0.000) 7.232 2.468 ( -0.000 0.645 0.000) 0.645 2.571 ( -0.000 0.362 0.000) 0.362 2.670 ( 0.000 1.982 0.000) 1.982 2.732 ( 0.000 -1.031 -0.000) 1.031 2.755 ( -0.000 3.161 0.000) 3.161 2.856 ( -0.000 -4.537 0.000) 4.537 2.928 ( -0.000 4.004 -0.000) 4.004 2.996 ( 0.000 1.847 0.000) 1.847 3.083 ( -0.000 0.209 0.000) 0.209 3.099 ( 0.000 -3.191 0.000) 3.191 3.202 ( 0.000 2.199 0.000) 2.199 3.339 ( -0.000 3.858 0.000) 3.858 3.434 ( 0.000 1.641 0.000) 1.641 3.487 ( 0.000 -0.885 -0.000) 0.885 3.796 ( -0.000 8.267 0.000) 8.267 3.820 ( 0.000 0.476 -0.000) 0.476 3.985 ( -0.000 -2.045 0.000) 2.045 4.281 ( 0.000 -5.004 0.000) 5.004 4.344 ( -0.000 1.845 -0.000) 1.845 4.472 ( 0.000 -1.949 0.000) 1.949 4.513 ( 0.000 -3.041 0.000) 3.041 4.620 ( 0.000 0.364 0.000) 0.364 4.715 ( 0.000 -4.689 0.000) 4.689 4.775 ( -0.000 -3.121 0.000) 3.121 4.959 ( -0.000 0.069 0.000) 0.069 5.020 ( -0.000 -0.568 0.000) 0.568 5.076 ( -0.000 -0.369 0.000) 0.369 5.667 ( 0.000 -0.742 0.000) 0.742 5.677 ( -0.000 -1.026 0.000) 1.026 6.284 ( 0.000 -7.970 0.000) 7.970 6.445 ( 0.000 3.891 0.000) 3.891 6.604 ( 0.000 -2.869 0.000) 2.869 6.657 ( -0.000 4.321 -0.000) 4.321 9.736 ( 0.000 0.463 0.000) 0.463 10.003 ( 0.000 2.036 0.000) 2.036 10.204 ( 0.000 -2.679 0.000) 2.679 10.378 ( -0.000 -4.174 0.000) 4.174 13.232 ( -0.000 -1.420 0.000) 1.420 13.654 ( -0.000 0.578 0.000) 0.578 13.723 ( 0.000 -3.960 0.000) 3.960 13.924 ( -0.000 3.321 0.000) 3.321 14.111 ( -0.000 2.289 0.000) 2.289 14.159 ( -0.000 -1.858 0.000) 1.858 14.188 ( 0.000 3.413 0.000) 3.413 14.535 ( 0.000 -3.327 0.000) 3.327 15.682 ( 0.000 -7.936 0.000) 7.936 16.149 ( -0.000 -4.624 0.000) 4.624 22.548 ( -0.000 -0.291 0.000) 0.291 22.583 ( -0.000 0.311 0.000) 0.311 24.275 ( -0.000 0.784 0.000) 0.784 24.723 ( 0.000 1.566 0.000) 1.566 24.865 ( 0.000 -1.154 0.000) 1.154 25.120 ( -0.000 7.700 0.000) 7.700 25.199 ( 0.000 -2.665 0.000) 2.665 25.469 ( -0.000 -6.838 0.000) 6.838 110.435 ( -0.000 0.303 0.000) 0.303 110.461 ( 0.000 0.361 0.000) 0.361 ======================= Grid point 177 (78/78) ======================= q-point: (-0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 0.000 -0.000 0.000) 0.000 1.415 ( 0.000 -0.000 0.000) 0.000 1.524 ( -0.000 -0.000 0.000) 0.000 1.537 ( -0.000 0.000 0.000) 0.000 1.547 ( 0.000 -0.000 -0.000) 0.000 1.636 ( -0.000 -0.000 0.000) 0.000 1.692 ( 0.000 -0.000 -0.000) 0.000 1.734 ( 0.000 0.000 0.000) 0.000 1.836 ( 0.000 -0.000 0.000) 0.000 1.949 ( 0.000 -0.000 -0.000) 0.000 2.031 ( -0.000 -0.000 0.000) 0.000 2.057 ( 0.000 -0.000 0.000) 0.000 2.141 ( 0.000 -0.000 0.000) 0.000 2.302 ( -0.000 -0.000 0.000) 0.000 2.331 ( 0.000 -0.000 0.000) 0.000 2.477 ( 0.000 -0.000 0.000) 0.000 2.564 ( 0.000 -0.000 0.000) 0.000 2.683 ( 0.000 -0.000 0.000) 0.000 2.725 ( 0.000 -0.000 0.000) 0.000 2.759 ( -0.000 -0.000 0.000) 0.000 2.892 ( 0.000 -0.000 0.000) 0.000 2.972 ( -0.000 -0.000 -0.000) 0.000 2.986 ( 0.000 -0.000 0.000) 0.000 3.051 ( 0.000 -0.000 0.000) 0.000 3.077 ( -0.000 -0.000 0.000) 0.000 3.264 ( 0.000 -0.000 0.000) 0.000 3.375 ( 0.000 -0.000 0.000) 0.000 3.454 ( -0.000 -0.000 0.000) 0.000 3.457 ( -0.000 -0.000 0.000) 0.000 3.828 ( -0.000 -0.000 0.000) 0.000 3.957 ( 0.000 -0.000 0.000) 0.000 4.010 ( -0.000 -0.000 0.000) 0.000 4.134 ( -0.000 -0.000 0.000) 0.000 4.397 ( -0.000 -0.000 -0.000) 0.000 4.435 ( 0.000 -0.000 0.000) 0.000 4.438 ( 0.000 0.000 0.000) 0.000 4.627 ( -0.000 -0.000 0.000) 0.000 4.665 ( -0.000 -0.000 0.000) 0.000 4.734 ( 0.000 -0.000 0.000) 0.000 4.963 ( 0.000 -0.000 0.000) 0.000 5.012 ( -0.000 -0.000 0.000) 0.000 5.072 ( -0.000 -0.000 0.000) 0.000 5.659 ( 0.000 -0.000 0.000) 0.000 5.665 ( -0.000 -0.000 -0.000) 0.000 6.182 ( 0.000 -0.000 0.000) 0.000 6.528 ( 0.000 -0.000 0.000) 0.000 6.535 ( 0.000 0.000 0.000) 0.000 6.712 ( -0.000 -0.000 0.000) 0.000 9.743 ( 0.000 -0.000 0.000) 0.000 10.029 ( 0.000 -0.000 0.000) 0.000 10.171 ( 0.000 -0.000 0.000) 0.000 10.326 ( -0.000 -0.000 0.000) 0.000 13.216 ( -0.000 -0.000 0.000) 0.000 13.661 ( 0.000 -0.000 -0.000) 0.000 13.677 ( -0.000 -0.000 0.000) 0.000 13.972 ( -0.000 -0.000 0.000) 0.000 14.129 ( 0.000 -0.000 0.000) 0.000 14.139 ( -0.000 -0.000 0.000) 0.000 14.239 ( 0.000 -0.000 0.000) 0.000 14.487 ( 0.000 -0.000 0.000) 0.000 15.586 ( -0.000 -0.000 0.000) 0.000 16.091 ( -0.000 -0.000 0.000) 0.000 22.545 ( -0.000 -0.000 0.000) 0.000 22.587 ( 0.000 -0.000 0.000) 0.000 24.284 ( 0.000 -0.000 0.000) 0.000 24.738 ( 0.000 -0.000 0.000) 0.000 24.847 ( -0.000 -0.000 0.000) 0.000 25.174 ( 0.000 -0.000 0.000) 0.000 25.268 ( 0.000 0.000 0.000) 0.000 25.331 ( -0.000 -0.000 0.000) 0.000 110.439 ( -0.000 -0.000 0.000) 0.000 110.465 ( 0.000 -0.000 0.000) 0.000 =================== 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 3/18432 10.0 15.612 16.583 8.791 0.000 1.282 0.000 3/18432 20.0 5.730 4.846 3.739 0.000 0.302 0.000 3/18432 30.0 3.318 2.561 2.294 0.000 0.138 0.000 3/18432 40.0 2.278 1.684 1.618 0.000 0.087 0.000 3/18432 50.0 1.717 1.240 1.239 0.000 0.064 0.000 3/18432 60.0 1.374 0.977 1.003 0.000 0.051 0.000 3/18432 70.0 1.145 0.807 0.844 0.000 0.043 0.000 3/18432 80.0 0.983 0.688 0.729 0.000 0.036 0.000 3/18432 90.0 0.861 0.600 0.643 0.000 0.032 0.000 3/18432 100.0 0.768 0.532 0.575 0.000 0.028 0.000 3/18432 110.0 0.693 0.479 0.521 0.000 0.026 0.000 3/18432 120.0 0.632 0.436 0.477 0.000 0.023 0.000 3/18432 130.0 0.581 0.400 0.440 0.000 0.021 0.000 3/18432 140.0 0.539 0.370 0.408 0.000 0.020 0.000 3/18432 150.0 0.502 0.345 0.381 0.000 0.019 0.000 3/18432 160.0 0.471 0.323 0.357 0.000 0.018 0.000 3/18432 170.0 0.443 0.304 0.337 0.000 0.017 0.000 3/18432 180.0 0.419 0.287 0.319 0.000 0.016 0.000 3/18432 190.0 0.398 0.273 0.302 0.000 0.016 0.000 3/18432 200.0 0.379 0.260 0.288 0.000 0.015 0.000 3/18432 210.0 0.363 0.248 0.275 0.000 0.015 0.000 3/18432 220.0 0.347 0.238 0.263 0.000 0.014 0.000 3/18432 230.0 0.334 0.229 0.253 0.000 0.014 0.000 3/18432 240.0 0.321 0.220 0.243 0.000 0.014 0.000 3/18432 250.0 0.310 0.213 0.234 0.000 0.014 0.000 3/18432 260.0 0.300 0.206 0.226 0.000 0.014 0.000 3/18432 270.0 0.290 0.199 0.219 0.000 0.014 0.000 3/18432 280.0 0.281 0.193 0.212 0.000 0.014 0.000 3/18432 290.0 0.273 0.188 0.205 0.000 0.014 0.000 3/18432 300.0 0.265 0.182 0.199 0.000 0.014 0.000 3/18432 310.0 0.258 0.178 0.194 0.000 0.014 0.000 3/18432 320.0 0.251 0.173 0.188 0.000 0.014 0.000 3/18432 330.0 0.245 0.169 0.183 0.000 0.013 0.000 3/18432 340.0 0.239 0.165 0.179 0.000 0.013 0.000 3/18432 350.0 0.233 0.161 0.174 0.000 0.013 0.000 3/18432 360.0 0.228 0.157 0.170 0.000 0.013 0.000 3/18432 370.0 0.223 0.154 0.166 0.000 0.013 0.000 3/18432 380.0 0.218 0.151 0.162 0.000 0.013 0.000 3/18432 390.0 0.214 0.148 0.159 0.000 0.013 0.000 3/18432 400.0 0.209 0.145 0.155 0.000 0.013 0.000 3/18432 410.0 0.205 0.142 0.152 0.000 0.013 0.000 3/18432 420.0 0.201 0.139 0.149 0.000 0.013 0.000 3/18432 430.0 0.197 0.137 0.146 0.000 0.013 0.000 3/18432 440.0 0.194 0.134 0.143 0.000 0.013 0.000 3/18432 450.0 0.190 0.132 0.141 0.000 0.013 0.000 3/18432 460.0 0.187 0.129 0.138 0.000 0.013 0.000 3/18432 470.0 0.183 0.127 0.136 0.000 0.013 0.000 3/18432 480.0 0.180 0.125 0.133 0.000 0.013 0.000 3/18432 490.0 0.177 0.123 0.131 0.000 0.013 0.000 3/18432 500.0 0.174 0.121 0.129 0.000 0.013 0.000 3/18432 510.0 0.171 0.119 0.126 0.000 0.013 0.000 3/18432 520.0 0.169 0.117 0.124 0.000 0.012 0.000 3/18432 530.0 0.166 0.115 0.122 0.000 0.012 0.000 3/18432 540.0 0.163 0.114 0.120 0.000 0.012 0.000 3/18432 550.0 0.161 0.112 0.118 0.000 0.012 0.000 3/18432 560.0 0.159 0.110 0.117 0.000 0.012 0.000 3/18432 570.0 0.156 0.109 0.115 0.000 0.012 0.000 3/18432 580.0 0.154 0.107 0.113 0.000 0.012 0.000 3/18432 590.0 0.152 0.106 0.111 0.000 0.012 0.000 3/18432 600.0 0.150 0.104 0.110 0.000 0.012 0.000 3/18432 610.0 0.147 0.103 0.108 0.000 0.012 0.000 3/18432 620.0 0.145 0.101 0.107 0.000 0.012 0.000 3/18432 630.0 0.143 0.100 0.105 0.000 0.012 0.000 3/18432 640.0 0.142 0.099 0.104 0.000 0.011 0.000 3/18432 650.0 0.140 0.097 0.102 0.000 0.011 0.000 3/18432 660.0 0.138 0.096 0.101 0.000 0.011 0.000 3/18432 670.0 0.136 0.095 0.100 0.000 0.011 0.000 3/18432 680.0 0.134 0.094 0.098 0.000 0.011 0.000 3/18432 690.0 0.133 0.092 0.097 0.000 0.011 0.000 3/18432 700.0 0.131 0.091 0.096 0.000 0.011 0.000 3/18432 710.0 0.129 0.090 0.095 0.000 0.011 0.000 3/18432 720.0 0.128 0.089 0.094 0.000 0.011 0.000 3/18432 730.0 0.126 0.088 0.092 0.000 0.011 0.000 3/18432 740.0 0.125 0.087 0.091 0.000 0.011 0.000 3/18432 750.0 0.123 0.086 0.090 0.000 0.011 0.000 3/18432 760.0 0.122 0.085 0.089 0.000 0.011 0.000 3/18432 770.0 0.121 0.084 0.088 0.000 0.010 0.000 3/18432 780.0 0.119 0.083 0.087 0.000 0.010 0.000 3/18432 790.0 0.118 0.082 0.086 0.000 0.010 0.000 3/18432 800.0 0.117 0.081 0.085 0.000 0.010 0.000 3/18432 810.0 0.115 0.080 0.084 0.000 0.010 0.000 3/18432 820.0 0.114 0.080 0.083 0.000 0.010 0.000 3/18432 830.0 0.113 0.079 0.082 0.000 0.010 0.000 3/18432 840.0 0.112 0.078 0.082 0.000 0.010 0.000 3/18432 850.0 0.110 0.077 0.081 0.000 0.010 0.000 3/18432 860.0 0.109 0.076 0.080 0.000 0.010 0.000 3/18432 870.0 0.108 0.075 0.079 0.000 0.010 0.000 3/18432 880.0 0.107 0.075 0.078 0.000 0.010 0.000 3/18432 890.0 0.106 0.074 0.077 0.000 0.010 0.000 3/18432 900.0 0.105 0.073 0.077 0.000 0.010 0.000 3/18432 910.0 0.104 0.072 0.076 0.000 0.009 0.000 3/18432 920.0 0.103 0.072 0.075 0.000 0.009 0.000 3/18432 930.0 0.102 0.071 0.074 0.000 0.009 0.000 3/18432 940.0 0.101 0.070 0.074 0.000 0.009 0.000 3/18432 950.0 0.100 0.070 0.073 0.000 0.009 0.000 3/18432 960.0 0.099 0.069 0.072 0.000 0.009 0.000 3/18432 970.0 0.098 0.068 0.072 0.000 0.009 0.000 3/18432 980.0 0.097 0.068 0.071 0.000 0.009 0.000 3/18432 990.0 0.096 0.067 0.070 0.000 0.009 0.000 3/18432 1000.0 0.095 0.067 0.070 0.000 0.009 0.000 3/18432 Thermal conductivity related properties were written into "kappa-m884.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:07:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|